data_15304_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15304 _Entry.PDB_ID 2PFU _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 19 _Entity_delta_chem_shifts.Best_conformer 1 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Conformer_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entity_delta_chem_shifts_ID 1 1 . 1 1 1 A 2 2 ASP H H 44 8.930 8.775 0.155 1 1 2 . 1 1 1 A 2 2 ASP HA H 44 4.860 5.396 -0.536 1 1 5 . 1 1 1 A 2 2 ASP C C 44 175.278 174.666 0.612 1 1 6 . 1 1 1 A 2 2 ASP CA C 44 53.516 53.061 0.455 1 1 7 . 1 1 1 A 2 2 ASP CB C 44 39.397 44.747 -5.350 1 1 8 . 1 1 1 A 2 2 ASP N N 44 122.920 122.446 0.474 1 1 9 . 1 1 1 A 3 3 VAL H H 45 8.329 8.557 -0.228 1 1 10 . 1 1 1 A 3 3 VAL HA H 45 4.120 4.673 -0.553 1 1 18 . 1 1 1 A 3 3 VAL C C 45 175.938 173.737 2.201 1 1 19 . 1 1 1 A 3 3 VAL CA C 45 62.422 60.144 2.278 1 1 20 . 1 1 1 A 3 3 VAL CB C 45 32.300 35.059 -2.759 1 1 23 . 1 1 1 A 3 3 VAL N N 45 121.541 119.541 2.000 1 1 24 . 1 1 1 A 4 4 LYS H H 46 8.400 8.716 -0.316 1 1 25 . 1 1 1 A 4 4 LYS HA H 46 4.387 4.762 -0.375 1 1 34 . 1 1 1 A 4 4 LYS C C 46 176.333 176.269 0.064 1 1 35 . 1 1 1 A 4 4 LYS CA C 46 56.270 55.559 0.711 1 1 36 . 1 1 1 A 4 4 LYS CB C 46 32.874 33.044 -0.170 1 1 40 . 1 1 1 A 4 4 LYS N N 46 125.410 127.343 -1.933 1 1 42 . 1 1 1 A 5 5 VAL H H 47 8.190 8.789 -0.599 1 1 43 . 1 1 1 A 5 5 VAL HA H 47 4.118 4.831 -0.713 1 1 51 . 1 1 1 A 5 5 VAL C C 47 175.567 174.797 0.770 1 1 52 . 1 1 1 A 5 5 VAL CA C 47 61.954 60.290 1.664 1 1 53 . 1 1 1 A 5 5 VAL CB C 47 32.443 33.682 -1.239 1 1 56 . 1 1 1 A 5 5 VAL N N 47 121.672 120.418 1.254 1 1 57 . 1 1 1 A 6 6 ASN H H 48 8.571 8.694 -0.123 1 1 58 . 1 1 1 A 6 6 ASN HA H 48 4.750 5.348 -0.598 1 1 61 . 1 1 1 A 6 6 ASN C C 48 174.566 173.505 1.061 1 1 62 . 1 1 1 A 6 6 ASN CA C 48 53.047 51.814 1.233 1 1 63 . 1 1 1 A 6 6 ASN CB C 48 38.901 42.651 -3.750 1 1 64 . 1 1 1 A 6 6 ASN N N 48 123.230 119.240 3.990 1 1 65 . 1 1 1 A 7 7 LEU H H 49 8.286 8.861 -0.575 1 1 66 . 1 1 1 A 7 7 LEU HA H 49 4.632 4.960 -0.328 1 1 76 . 1 1 1 A 7 7 LEU C C 49 175.162 174.566 0.596 1 1 77 . 1 1 1 A 7 7 LEU CA C 49 53.047 51.582 1.465 1 1 78 . 1 1 1 A 7 7 LEU CB C 49 41.825 43.261 -1.436 1 1 82 . 1 1 1 A 7 7 LEU N N 49 124.491 123.592 0.899 1 1 83 . 1 1 1 A 8 8 PRO HA H 50 4.443 4.760 -0.317 1 1 90 . 1 1 1 A 8 8 PRO C C 50 176.734 176.059 0.675 1 1 91 . 1 1 1 A 8 8 PRO CA C 50 62.903 62.711 0.192 1 1 92 . 1 1 1 A 8 8 PRO CB C 50 31.839 31.886 -0.047 1 1 95 . 1 1 1 A 9 9 ALA H H 51 8.424 8.476 -0.052 1 1 96 . 1 1 1 A 9 9 ALA HA H 51 4.330 4.829 -0.499 1 1 100 . 1 1 1 A 9 9 ALA C C 51 178.124 175.603 2.521 1 1 101 . 1 1 1 A 9 9 ALA CA C 51 52.578 51.508 1.070 1 1 102 . 1 1 1 A 9 9 ALA CB C 51 19.297 23.186 -3.889 1 1 103 . 1 1 1 A 9 9 ALA N N 51 124.364 122.339 2.025 1 1 104 . 1 1 1 A 10 10 SER H H 52 8.380 8.701 -0.321 1 1 105 . 1 1 1 A 10 10 SER HA H 52 4.223 5.128 -0.905 1 1 108 . 1 1 1 A 10 10 SER C C 52 174.982 173.204 1.778 1 1 109 . 1 1 1 A 10 10 SER CA C 52 58.672 57.602 1.070 1 1 110 . 1 1 1 A 10 10 SER CB C 52 63.829 67.347 -3.518 1 1 111 . 1 1 1 A 10 10 SER N N 52 114.800 115.070 -0.270 1 1 112 . 1 1 1 A 11 11 THR H H 53 8.227 8.500 -0.273 1 1 113 . 1 1 1 A 11 11 THR HA H 53 4.478 5.110 -0.632 1 1 118 . 1 1 1 A 11 11 THR C C 53 174.612 172.185 2.427 1 1 119 . 1 1 1 A 11 11 THR CA C 53 61.922 60.625 1.297 1 1 120 . 1 1 1 A 11 11 THR CB C 53 69.922 71.582 -1.660 1 1 122 . 1 1 1 A 11 11 THR N N 53 115.236 114.618 0.618 1 1 123 . 1 1 1 A 12 12 SER H H 54 8.330 8.886 -0.556 1 1 124 . 1 1 1 A 12 12 SER HA H 54 4.559 5.077 -0.518 1 1 127 . 1 1 1 A 12 12 SER C C 54 174.299 173.989 0.310 1 1 128 . 1 1 1 A 12 12 SER CA C 54 58.204 58.056 0.148 1 1 129 . 1 1 1 A 12 12 SER CB C 54 63.891 63.779 0.112 1 1 130 . 1 1 1 A 12 12 SER N N 54 117.770 121.852 -4.082 1 1 131 . 1 1 1 A 13 13 THR H H 55 8.274 8.634 -0.360 1 1 132 . 1 1 1 A 13 13 THR HA H 55 4.624 4.988 -0.364 1 1 137 . 1 1 1 A 13 13 THR C C 55 170.400 172.688 -2.288 1 1 138 . 1 1 1 A 13 13 THR CA C 55 60.079 58.449 1.630 1 1 139 . 1 1 1 A 13 13 THR CB C 55 69.922 69.710 0.212 1 1 141 . 1 1 1 A 13 13 THR N N 55 118.865 116.432 2.433 1 1 142 . 1 1 1 A 14 14 PRO HA H 56 4.458 4.721 -0.263 1 1 149 . 1 1 1 A 14 14 PRO C C 56 176.748 175.546 1.202 1 1 150 . 1 1 1 A 14 14 PRO CA C 56 63.076 62.612 0.464 1 1 151 . 1 1 1 A 14 14 PRO CB C 56 32.043 33.358 -1.315 1 1 154 . 1 1 1 A 15 15 GLN H H 57 8.547 8.667 -0.120 1 1 155 . 1 1 1 A 15 15 GLN HA H 57 4.620 4.615 0.005 1 1 160 . 1 1 1 A 15 15 GLN CA C 57 53.600 53.633 -0.033 1 1 161 . 1 1 1 A 15 15 GLN CB C 57 29.141 28.884 0.257 1 1 163 . 1 1 1 A 15 15 GLN N N 57 122.041 121.559 0.482 1 1 165 . 1 1 1 A 16 16 PRO HA H 58 4.458 4.556 -0.098 1 1 172 . 1 1 1 A 16 16 PRO C C 58 176.620 175.881 0.739 1 1 173 . 1 1 1 A 16 16 PRO CA C 58 62.872 62.701 0.171 1 1 174 . 1 1 1 A 16 16 PRO CB C 58 32.111 32.683 -0.572 1 1 177 . 1 1 1 A 17 17 ARG H H 59 8.511 8.442 0.069 1 1 178 . 1 1 1 A 17 17 ARG HA H 59 4.643 4.925 -0.282 1 1 185 . 1 1 1 A 17 17 ARG CA C 59 53.985 53.794 0.191 1 1 186 . 1 1 1 A 17 17 ARG CB C 59 30.195 31.096 -0.901 1 1 189 . 1 1 1 A 17 17 ARG N N 59 122.731 121.441 1.290 1 1 190 . 1 1 1 A 18 18 PRO HA H 60 4.458 4.595 -0.137 1 1 197 . 1 1 1 A 18 18 PRO C C 60 176.892 176.155 0.737 1 1 198 . 1 1 1 A 18 18 PRO CA C 60 62.940 62.571 0.369 1 1 199 . 1 1 1 A 18 18 PRO CB C 60 32.891 32.881 0.010 1 1 202 . 1 1 1 A 19 19 GLU H H 61 8.480 8.570 -0.090 1 1 203 . 1 1 1 A 19 19 GLU HA H 61 4.391 5.167 -0.776 1 1 208 . 1 1 1 A 19 19 GLU C C 61 176.174 175.633 0.541 1 1 209 . 1 1 1 A 19 19 GLU CA C 61 54.922 54.607 0.315 1 1 210 . 1 1 1 A 19 19 GLU CB C 61 29.141 32.633 -3.492 1 1 212 . 1 1 1 A 19 19 GLU N N 61 120.840 117.798 3.042 1 1 213 . 1 1 1 A 20 20 LYS H H 62 8.502 8.550 -0.048 1 1 214 . 1 1 1 A 20 20 LYS HA H 62 4.620 4.863 -0.243 1 1 223 . 1 1 1 A 20 20 LYS C C 62 171.420 173.589 -2.169 1 1 224 . 1 1 1 A 20 20 LYS CA C 62 54.827 53.165 1.662 1 1 225 . 1 1 1 A 20 20 LYS CB C 62 32.422 34.969 -2.547 1 1 229 . 1 1 1 A 20 20 LYS N N 62 125.117 123.749 1.368 1 1 230 . 1 1 1 A 21 21 PRO HA H 63 4.448 4.518 -0.070 1 1 237 . 1 1 1 A 21 21 PRO CA C 63 62.261 62.491 -0.230 1 1 238 . 1 1 1 A 21 21 PRO CB C 63 32.422 32.252 0.170 1 1 241 . 1 1 1 A 22 22 VAL H H 64 8.570 8.594 -0.024 1 1 242 . 1 1 1 A 22 22 VAL HA H 64 4.097 4.361 -0.264 1 1 250 . 1 1 1 A 22 22 VAL C C 64 173.862 174.400 -0.538 1 1 251 . 1 1 1 A 22 22 VAL CA C 64 61.000 61.789 -0.789 1 1 252 . 1 1 1 A 22 22 VAL CB C 64 33.770 32.254 1.516 1 1 255 . 1 1 1 A 22 22 VAL N N 64 120.453 121.992 -1.539 1 1 256 . 1 1 1 A 23 23 TYR H H 65 8.600 8.992 -0.392 1 1 257 . 1 1 1 A 23 23 TYR HA H 65 5.207 5.397 -0.190 1 1 264 . 1 1 1 A 23 23 TYR C C 65 174.916 173.980 0.936 1 1 265 . 1 1 1 A 23 23 TYR CA C 65 57.210 55.982 1.228 1 1 266 . 1 1 1 A 23 23 TYR CB C 65 39.454 42.055 -2.601 1 1 267 . 1 1 1 A 23 23 TYR N N 65 124.580 128.715 -4.135 1 1 268 . 1 1 1 A 24 24 LEU H H 66 9.186 9.403 -0.217 1 1 269 . 1 1 1 A 24 24 LEU HA H 66 5.261 5.318 -0.057 1 1 279 . 1 1 1 A 24 24 LEU C C 66 175.491 175.784 -0.293 1 1 280 . 1 1 1 A 24 24 LEU CA C 66 53.516 53.623 -0.107 1 1 281 . 1 1 1 A 24 24 LEU CB C 66 45.078 44.521 0.557 1 1 285 . 1 1 1 A 24 24 LEU N N 66 128.669 128.427 0.242 1 1 286 . 1 1 1 A 25 25 SER H H 67 9.300 8.852 0.448 1 1 287 . 1 1 1 A 25 25 SER HA H 67 5.637 5.365 0.272 1 1 290 . 1 1 1 A 25 25 SER C C 67 173.470 173.288 0.182 1 1 291 . 1 1 1 A 25 25 SER CA C 67 56.784 57.628 -0.844 1 1 292 . 1 1 1 A 25 25 SER CB C 67 65.267 65.443 -0.176 1 1 293 . 1 1 1 A 25 25 SER N N 67 120.290 118.407 1.883 1 1 294 . 1 1 1 A 26 26 VAL H H 68 8.600 8.669 -0.069 1 1 295 . 1 1 1 A 26 26 VAL HA H 68 4.847 5.260 -0.413 1 1 303 . 1 1 1 A 26 26 VAL C C 68 175.205 174.214 0.991 1 1 304 . 1 1 1 A 26 26 VAL CA C 68 60.950 59.752 1.198 1 1 305 . 1 1 1 A 26 26 VAL CB C 68 33.770 34.777 -1.007 1 1 308 . 1 1 1 A 26 26 VAL N N 68 123.723 126.083 -2.360 1 1 309 . 1 1 1 A 27 27 LYS H H 69 8.760 8.744 0.016 1 1 310 . 1 1 1 A 27 27 LYS HA H 69 4.630 4.901 -0.271 1 1 319 . 1 1 1 A 27 27 LYS C C 69 176.007 176.140 -0.133 1 1 320 . 1 1 1 A 27 27 LYS CA C 69 62.400 54.445 7.955 1 1 321 . 1 1 1 A 27 27 LYS CB C 69 33.820 35.980 -2.160 1 1 325 . 1 1 1 A 27 27 LYS N N 69 126.000 120.954 5.046 1 1 326 . 1 1 1 A 28 28 ALA H H 70 8.728 8.693 0.035 1 1 327 . 1 1 1 A 28 28 ALA HA H 70 4.018 3.911 0.107 1 1 331 . 1 1 1 A 28 28 ALA C C 70 177.852 177.055 0.797 1 1 332 . 1 1 1 A 28 28 ALA CA C 70 53.985 54.262 -0.277 1 1 333 . 1 1 1 A 28 28 ALA CB C 70 19.297 17.861 1.436 1 1 334 . 1 1 1 A 28 28 ALA N N 70 124.480 121.605 2.875 1 1 335 . 1 1 1 A 29 29 ASP H H 71 8.256 8.869 -0.613 1 1 336 . 1 1 1 A 29 29 ASP HA H 71 4.497 4.464 0.033 1 1 339 . 1 1 1 A 29 29 ASP C C 71 176.455 176.242 0.213 1 1 340 . 1 1 1 A 29 29 ASP CA C 71 53.985 56.549 -2.564 1 1 341 . 1 1 1 A 29 29 ASP CB C 71 39.315 40.291 -0.976 1 1 342 . 1 1 1 A 29 29 ASP N N 71 118.722 118.086 0.636 1 1 343 . 1 1 1 A 30 30 ASN H H 72 8.380 7.801 0.579 1 1 344 . 1 1 1 A 30 30 ASN HA H 72 4.374 4.897 -0.523 1 1 349 . 1 1 1 A 30 30 ASN C C 72 174.641 173.095 1.546 1 1 350 . 1 1 1 A 30 30 ASN CA C 72 54.453 53.326 1.127 1 1 351 . 1 1 1 A 30 30 ASN CB C 72 37.579 39.441 -1.862 1 1 352 . 1 1 1 A 30 30 ASN N N 72 113.000 117.340 -4.340 1 1 353 . 1 1 1 A 31 31 SER H H 73 7.710 8.660 -0.950 1 1 354 . 1 1 1 A 31 31 SER HA H 73 4.404 5.242 -0.838 1 1 357 . 1 1 1 A 31 31 SER C C 73 172.527 173.094 -0.567 1 1 358 . 1 1 1 A 31 31 SER CA C 73 58.672 57.010 1.662 1 1 359 . 1 1 1 A 31 31 SER CB C 73 63.303 66.242 -2.939 1 1 360 . 1 1 1 A 31 31 SER N N 73 115.080 117.438 -2.358 1 1 361 . 1 1 1 A 32 32 MET H H 74 8.065 8.754 -0.689 1 1 362 . 1 1 1 A 32 32 MET HA H 74 5.573 5.195 0.378 1 1 370 . 1 1 1 A 32 32 MET C C 74 174.974 175.704 -0.730 1 1 371 . 1 1 1 A 32 32 MET CA C 74 54.397 53.791 0.606 1 1 372 . 1 1 1 A 32 32 MET CB C 74 37.579 33.875 3.704 1 1 375 . 1 1 1 A 32 32 MET N N 74 121.780 124.588 -2.808 1 1 376 . 1 1 1 A 33 33 PHE H H 75 8.900 8.905 -0.005 1 1 377 . 1 1 1 A 33 33 PHE HA H 75 5.190 4.923 0.267 1 1 384 . 1 1 1 A 33 33 PHE C C 75 175.228 174.503 0.725 1 1 385 . 1 1 1 A 33 33 PHE CA C 75 56.797 57.652 -0.855 1 1 386 . 1 1 1 A 33 33 PHE CB C 75 44.141 40.616 3.525 1 1 387 . 1 1 1 A 33 33 PHE N N 75 118.800 123.473 -4.673 1 1 388 . 1 1 1 A 34 34 ILE H H 76 8.830 8.386 0.444 1 1 389 . 1 1 1 A 34 34 ILE HA H 76 4.851 4.438 0.413 1 1 399 . 1 1 1 A 34 34 ILE C C 76 177.606 176.703 0.903 1 1 400 . 1 1 1 A 34 34 ILE CA C 76 59.610 60.983 -1.373 1 1 401 . 1 1 1 A 34 34 ILE CB C 76 37.990 38.124 -0.134 1 1 405 . 1 1 1 A 34 34 ILE N N 76 121.330 128.362 -7.032 1 1 406 . 1 1 1 A 35 35 GLY H H 77 9.177 8.732 0.445 1 1 407 . 1 1 1 A 35 35 GLY HA2 H 77 4.139 3.834 0.305 1 1 408 . 1 1 1 A 35 35 GLY HA3 H 77 3.742 3.841 -0.099 1 1 409 . 1 1 1 A 35 35 GLY C C 77 174.757 175.224 -0.467 1 1 410 . 1 1 1 A 35 35 GLY CA C 77 47.422 46.782 0.640 1 1 411 . 1 1 1 A 35 35 GLY N N 77 118.894 111.819 7.075 1 1 412 . 1 1 1 A 36 36 ASN H H 78 9.170 8.996 0.174 1 1 413 . 1 1 1 A 36 36 ASN HA H 78 4.846 4.475 0.371 1 1 416 . 1 1 1 A 36 36 ASN C C 78 174.867 173.952 0.915 1 1 417 . 1 1 1 A 36 36 ASN CA C 78 52.578 54.633 -2.055 1 1 418 . 1 1 1 A 36 36 ASN CB C 78 38.985 38.151 0.834 1 1 419 . 1 1 1 A 36 36 ASN N N 78 125.494 122.736 2.758 1 1 420 . 1 1 1 A 37 37 ASP H H 79 8.590 8.394 0.196 1 1 421 . 1 1 1 A 37 37 ASP HA H 79 5.330 5.128 0.202 1 1 424 . 1 1 1 A 37 37 ASP C C 79 173.009 172.897 0.112 1 1 425 . 1 1 1 A 37 37 ASP CA C 79 51.172 51.532 -0.360 1 1 426 . 1 1 1 A 37 37 ASP CB C 79 39.922 41.621 -1.699 1 1 427 . 1 1 1 A 37 37 ASP N N 79 121.409 117.982 3.427 1 1 428 . 1 1 1 A 38 38 PRO HA H 80 4.320 4.448 -0.128 1 1 435 . 1 1 1 A 38 38 PRO C C 80 176.862 176.312 0.550 1 1 436 . 1 1 1 A 38 38 PRO CA C 80 62.422 62.384 0.038 1 1 437 . 1 1 1 A 38 38 PRO CB C 80 32.890 31.639 1.251 1 1 440 . 1 1 1 A 39 39 VAL H H 81 8.001 7.992 0.009 1 1 441 . 1 1 1 A 39 39 VAL HA H 81 4.522 4.961 -0.439 1 1 449 . 1 1 1 A 39 39 VAL C C 81 173.912 173.869 0.043 1 1 450 . 1 1 1 A 39 39 VAL CA C 81 59.141 59.397 -0.256 1 1 451 . 1 1 1 A 39 39 VAL CB C 81 36.172 36.541 -0.369 1 1 454 . 1 1 1 A 39 39 VAL N N 81 115.450 116.619 -1.169 1 1 455 . 1 1 1 A 40 40 THR H H 82 7.672 8.395 -0.723 1 1 456 . 1 1 1 A 40 40 THR HA H 82 4.746 4.696 0.050 1 1 461 . 1 1 1 A 40 40 THR C C 82 175.692 174.754 0.938 1 1 462 . 1 1 1 A 40 40 THR CA C 82 59.121 60.487 -1.366 1 1 463 . 1 1 1 A 40 40 THR CB C 82 72.735 71.791 0.944 1 1 465 . 1 1 1 A 40 40 THR N N 82 110.320 114.842 -4.522 1 1 466 . 1 1 1 A 41 41 ASP H H 83 9.370 9.068 0.302 1 1 467 . 1 1 1 A 41 41 ASP HA H 83 4.314 4.475 -0.161 1 1 470 . 1 1 1 A 41 41 ASP C C 83 176.943 177.765 -0.822 1 1 471 . 1 1 1 A 41 41 ASP CA C 83 56.797 55.843 0.954 1 1 472 . 1 1 1 A 41 41 ASP CB C 83 38.047 40.879 -2.832 1 1 473 . 1 1 1 A 41 41 ASP N N 83 118.710 124.192 -5.482 1 1 474 . 1 1 1 A 42 42 GLU H H 84 8.228 8.135 0.093 1 1 475 . 1 1 1 A 42 42 GLU HA H 84 4.336 4.414 -0.078 1 1 480 . 1 1 1 A 42 42 GLU C C 84 177.827 178.035 -0.208 1 1 481 . 1 1 1 A 42 42 GLU CA C 84 58.204 58.047 0.157 1 1 482 . 1 1 1 A 42 42 GLU CB C 84 29.141 30.614 -1.473 1 1 484 . 1 1 1 A 42 42 GLU N N 84 115.213 119.023 -3.810 1 1 485 . 1 1 1 A 43 43 THR H H 85 7.510 7.875 -0.365 1 1 486 . 1 1 1 A 43 43 THR HA H 85 4.664 4.477 0.187 1 1 491 . 1 1 1 A 43 43 THR C C 85 175.799 175.403 0.396 1 1 492 . 1 1 1 A 43 43 THR CA C 85 61.395 62.866 -1.471 1 1 493 . 1 1 1 A 43 43 THR CB C 85 70.391 68.840 1.551 1 1 495 . 1 1 1 A 43 43 THR N N 85 108.315 115.038 -6.723 1 1 496 . 1 1 1 A 44 44 MET H H 86 7.900 7.914 -0.014 1 1 497 . 1 1 1 A 44 44 MET HA H 86 3.820 4.198 -0.378 1 1 505 . 1 1 1 A 44 44 MET C C 86 176.605 178.338 -1.733 1 1 506 . 1 1 1 A 44 44 MET CA C 86 60.547 58.248 2.299 1 1 507 . 1 1 1 A 44 44 MET CB C 86 32.422 32.020 0.402 1 1 510 . 1 1 1 A 44 44 MET N N 86 121.500 120.121 1.379 1 1 511 . 1 1 1 A 45 45 ILE H H 87 8.430 7.876 0.554 1 1 512 . 1 1 1 A 45 45 ILE HA H 87 3.686 3.782 -0.096 1 1 522 . 1 1 1 A 45 45 ILE C C 87 177.773 178.055 -0.282 1 1 523 . 1 1 1 A 45 45 ILE CA C 87 62.934 64.680 -1.746 1 1 524 . 1 1 1 A 45 45 ILE CB C 87 34.766 38.049 -3.283 1 1 528 . 1 1 1 A 45 45 ILE N N 87 117.970 120.242 -2.272 1 1 529 . 1 1 1 A 46 46 THR H H 88 8.070 8.225 -0.155 1 1 530 . 1 1 1 A 46 46 THR HA H 88 3.953 4.069 -0.116 1 1 535 . 1 1 1 A 46 46 THR C C 88 177.011 177.187 -0.176 1 1 536 . 1 1 1 A 46 46 THR CA C 88 66.640 65.417 1.223 1 1 537 . 1 1 1 A 46 46 THR CB C 88 68.000 68.078 -0.078 1 1 539 . 1 1 1 A 46 46 THR N N 88 116.920 112.566 4.354 1 1 540 . 1 1 1 A 47 47 ALA H H 89 7.710 8.331 -0.621 1 1 541 . 1 1 1 A 47 47 ALA HA H 89 4.240 4.197 0.043 1 1 545 . 1 1 1 A 47 47 ALA C C 89 174.356 179.964 -5.608 1 1 546 . 1 1 1 A 47 47 ALA CA C 89 55.094 55.120 -0.026 1 1 547 . 1 1 1 A 47 47 ALA CB C 89 18.828 18.002 0.826 1 1 548 . 1 1 1 A 47 47 ALA N N 89 123.490 124.686 -1.196 1 1 549 . 1 1 1 A 48 48 LEU H H 90 8.570 8.205 0.365 1 1 550 . 1 1 1 A 48 48 LEU HA H 90 3.445 3.961 -0.516 1 1 560 . 1 1 1 A 48 48 LEU C C 90 178.088 179.179 -1.091 1 1 561 . 1 1 1 A 48 48 LEU CA C 90 67.110 58.177 8.933 1 1 562 . 1 1 1 A 48 48 LEU CB C 90 31.420 41.461 -10.041 1 1 566 . 1 1 1 A 48 48 LEU N N 90 119.800 118.184 1.616 1 1 567 . 1 1 1 A 49 49 ASN H H 91 8.979 8.316 0.663 1 1 568 . 1 1 1 A 49 49 ASN HA H 91 4.494 4.535 -0.041 1 1 571 . 1 1 1 A 49 49 ASN C C 91 178.227 177.774 0.453 1 1 572 . 1 1 1 A 49 49 ASN CA C 91 54.397 56.051 -1.654 1 1 573 . 1 1 1 A 49 49 ASN CB C 91 37.578 38.277 -0.699 1 1 574 . 1 1 1 A 49 49 ASN N N 91 117.500 117.711 -0.211 1 1 575 . 1 1 1 A 50 50 ALA H H 92 7.710 7.755 -0.045 1 1 576 . 1 1 1 A 50 50 ALA HA H 92 4.232 4.092 0.140 1 1 580 . 1 1 1 A 50 50 ALA C C 92 180.155 178.701 1.454 1 1 581 . 1 1 1 A 50 50 ALA CA C 92 54.886 54.190 0.696 1 1 582 . 1 1 1 A 50 50 ALA CB C 92 17.962 18.211 -0.249 1 1 583 . 1 1 1 A 50 50 ALA N N 92 120.900 122.298 -1.398 1 1 584 . 1 1 1 A 51 51 LEU H H 93 7.670 7.425 0.245 1 1 585 . 1 1 1 A 51 51 LEU HA H 93 4.340 4.210 0.130 1 1 595 . 1 1 1 A 51 51 LEU C C 93 179.407 178.621 0.786 1 1 596 . 1 1 1 A 51 51 LEU CA C 93 56.829 56.750 0.079 1 1 597 . 1 1 1 A 51 51 LEU CB C 93 42.734 43.553 -0.819 1 1 601 . 1 1 1 A 51 51 LEU N N 93 117.980 116.050 1.930 1 1 602 . 1 1 1 A 52 52 THR H H 94 8.530 8.267 0.263 1 1 603 . 1 1 1 A 52 52 THR HA H 94 4.437 4.449 -0.012 1 1 608 . 1 1 1 A 52 52 THR C C 94 177.112 174.663 2.449 1 1 609 . 1 1 1 A 52 52 THR CA C 94 61.485 61.299 0.186 1 1 610 . 1 1 1 A 52 52 THR CB C 94 70.860 68.605 2.255 1 1 612 . 1 1 1 A 52 52 THR N N 94 107.010 107.043 -0.033 1 1 613 . 1 1 1 A 53 53 GLU H H 95 8.001 8.360 -0.359 1 1 614 . 1 1 1 A 53 53 GLU HA H 95 4.062 4.074 -0.012 1 1 619 . 1 1 1 A 53 53 GLU C C 95 176.199 175.802 0.397 1 1 620 . 1 1 1 A 53 53 GLU CA C 95 56.797 57.472 -0.675 1 1 621 . 1 1 1 A 53 53 GLU CB C 95 26.346 28.394 -2.048 1 1 623 . 1 1 1 A 53 53 GLU N N 95 117.560 121.595 -4.035 1 1 624 . 1 1 1 A 54 54 GLY H H 96 8.349 8.595 -0.246 1 1 625 . 1 1 1 A 54 54 GLY HA2 H 96 4.120 3.920 0.200 1 1 626 . 1 1 1 A 54 54 GLY HA3 H 96 3.520 3.924 -0.404 1 1 627 . 1 1 1 A 54 54 GLY C C 96 174.264 174.196 0.068 1 1 628 . 1 1 1 A 54 54 GLY CA C 96 44.600 46.656 -2.056 1 1 629 . 1 1 1 A 54 54 GLY N N 96 105.347 105.253 0.094 1 1 630 . 1 1 1 A 55 55 LYS H H 97 7.400 7.587 -0.187 1 1 631 . 1 1 1 A 55 55 LYS HA H 97 4.386 4.429 -0.043 1 1 640 . 1 1 1 A 55 55 LYS C C 97 177.395 175.639 1.756 1 1 641 . 1 1 1 A 55 55 LYS CA C 97 56.797 55.241 1.556 1 1 642 . 1 1 1 A 55 55 LYS CB C 97 30.522 33.151 -2.629 1 1 646 . 1 1 1 A 55 55 LYS N N 97 120.080 119.662 0.418 1 1 647 . 1 1 1 A 56 56 LYS H H 98 8.510 8.498 0.012 1 1 648 . 1 1 1 A 56 56 LYS HA H 98 3.940 4.421 -0.481 1 1 657 . 1 1 1 A 56 56 LYS C C 98 176.420 176.961 -0.541 1 1 658 . 1 1 1 A 56 56 LYS CA C 98 56.741 56.471 0.270 1 1 659 . 1 1 1 A 56 56 LYS CB C 98 30.079 32.184 -2.105 1 1 663 . 1 1 1 A 56 56 LYS N N 98 126.202 124.438 1.764 1 1 664 . 1 1 1 A 57 57 ASP H H 99 8.510 8.051 0.459 1 1 665 . 1 1 1 A 57 57 ASP HA H 99 4.570 4.815 -0.245 1 1 668 . 1 1 1 A 57 57 ASP C C 99 174.777 174.422 0.355 1 1 669 . 1 1 1 A 57 57 ASP CA C 99 52.991 54.008 -1.017 1 1 670 . 1 1 1 A 57 57 ASP CB C 99 38.516 41.379 -2.863 1 1 671 . 1 1 1 A 57 57 ASP N N 99 116.900 117.532 -0.632 1 1 672 . 1 1 1 A 58 58 THR H H 100 7.400 7.640 -0.240 1 1 673 . 1 1 1 A 58 58 THR HA H 100 3.971 4.785 -0.814 1 1 678 . 1 1 1 A 58 58 THR C C 100 172.742 174.440 -1.698 1 1 679 . 1 1 1 A 58 58 THR CA C 100 63.360 61.765 1.595 1 1 680 . 1 1 1 A 58 58 THR CB C 100 70.391 71.082 -0.691 1 1 682 . 1 1 1 A 58 58 THR N N 100 117.350 116.084 1.266 1 1 683 . 1 1 1 A 59 59 THR H H 101 8.414 8.735 -0.321 1 1 684 . 1 1 1 A 59 59 THR HA H 101 4.174 4.644 -0.470 1 1 689 . 1 1 1 A 59 59 THR C C 101 172.505 174.184 -1.679 1 1 690 . 1 1 1 A 59 59 THR CA C 101 63.829 63.404 0.425 1 1 691 . 1 1 1 A 59 59 THR CB C 101 69.454 68.255 1.199 1 1 693 . 1 1 1 A 59 59 THR N N 101 123.260 121.357 1.903 1 1 694 . 1 1 1 A 60 60 ILE H H 102 8.190 8.758 -0.568 1 1 695 . 1 1 1 A 60 60 ILE HA H 102 4.399 4.817 -0.418 1 1 705 . 1 1 1 A 60 60 ILE C C 102 175.119 175.239 -0.120 1 1 706 . 1 1 1 A 60 60 ILE CA C 102 58.204 60.273 -2.069 1 1 707 . 1 1 1 A 60 60 ILE CB C 102 38.047 39.409 -1.362 1 1 711 . 1 1 1 A 60 60 ILE N N 102 126.467 128.454 -1.987 1 1 712 . 1 1 1 A 61 61 PHE H H 103 8.900 8.851 0.049 1 1 713 . 1 1 1 A 61 61 PHE HA H 103 5.204 5.138 0.066 1 1 720 . 1 1 1 A 61 61 PHE C C 103 174.877 174.952 -0.075 1 1 721 . 1 1 1 A 61 61 PHE CA C 103 57.266 57.026 0.240 1 1 722 . 1 1 1 A 61 61 PHE CB C 103 40.860 39.751 1.109 1 1 723 . 1 1 1 A 61 61 PHE N N 103 125.650 126.940 -1.290 1 1 724 . 1 1 1 A 62 62 PHE H H 104 9.110 8.807 0.303 1 1 725 . 1 1 1 A 62 62 PHE HA H 104 5.590 5.031 0.559 1 1 732 . 1 1 1 A 62 62 PHE C C 104 174.407 173.791 0.616 1 1 733 . 1 1 1 A 62 62 PHE CA C 104 54.922 56.559 -1.637 1 1 734 . 1 1 1 A 62 62 PHE CB C 104 41.300 40.958 0.342 1 1 735 . 1 1 1 A 62 62 PHE N N 104 123.447 124.038 -0.591 1 1 736 . 1 1 1 A 63 63 ARG H H 105 9.020 8.716 0.304 1 1 737 . 1 1 1 A 63 63 ARG HA H 105 4.830 4.912 -0.082 1 1 744 . 1 1 1 A 63 63 ARG C C 105 173.862 174.445 -0.583 1 1 745 . 1 1 1 A 63 63 ARG CA C 105 54.453 55.025 -0.572 1 1 746 . 1 1 1 A 63 63 ARG CB C 105 32.422 31.823 0.599 1 1 749 . 1 1 1 A 63 63 ARG N N 105 126.020 128.984 -2.964 1 1 750 . 1 1 1 A 64 64 ALA H H 106 8.640 8.815 -0.175 1 1 751 . 1 1 1 A 64 64 ALA HA H 106 5.223 4.986 0.237 1 1 755 . 1 1 1 A 64 64 ALA C C 106 176.565 176.229 0.336 1 1 756 . 1 1 1 A 64 64 ALA CA C 106 50.235 50.151 0.084 1 1 757 . 1 1 1 A 64 64 ALA CB C 106 22.110 20.804 1.306 1 1 758 . 1 1 1 A 64 64 ALA N N 106 126.540 129.811 -3.271 1 1 759 . 1 1 1 A 65 65 ASP H H 107 7.900 8.498 -0.598 1 1 760 . 1 1 1 A 65 65 ASP HA H 107 4.685 4.491 0.194 1 1 763 . 1 1 1 A 65 65 ASP C C 107 176.987 177.232 -0.245 1 1 764 . 1 1 1 A 65 65 ASP CA C 107 54.453 54.642 -0.189 1 1 765 . 1 1 1 A 65 65 ASP CB C 107 42.209 41.730 0.479 1 1 766 . 1 1 1 A 65 65 ASP N N 107 121.600 122.201 -0.601 1 1 767 . 1 1 1 A 66 66 LYS H H 108 8.700 8.595 0.105 1 1 768 . 1 1 1 A 66 66 LYS HA H 108 4.221 4.275 -0.054 1 1 777 . 1 1 1 A 66 66 LYS C C 108 177.007 176.961 0.046 1 1 778 . 1 1 1 A 66 66 LYS CA C 108 58.682 57.995 0.687 1 1 779 . 1 1 1 A 66 66 LYS CB C 108 32.422 32.447 -0.025 1 1 783 . 1 1 1 A 66 66 LYS N N 108 120.740 122.611 -1.871 1 1 784 . 1 1 1 A 67 67 THR H H 109 8.035 7.904 0.131 1 1 785 . 1 1 1 A 67 67 THR HA H 109 4.270 4.567 -0.297 1 1 790 . 1 1 1 A 67 67 THR C C 109 175.031 174.292 0.739 1 1 791 . 1 1 1 A 67 67 THR CA C 109 62.422 61.126 1.296 1 1 792 . 1 1 1 A 67 67 THR CB C 109 68.985 69.290 -0.305 1 1 794 . 1 1 1 A 67 67 THR N N 109 108.086 113.114 -5.028 1 1 795 . 1 1 1 A 68 68 VAL H H 110 7.470 7.508 -0.038 1 1 796 . 1 1 1 A 68 68 VAL HA H 110 3.960 4.162 -0.202 1 1 804 . 1 1 1 A 68 68 VAL C C 110 175.691 175.371 0.320 1 1 805 . 1 1 1 A 68 68 VAL CA C 110 63.360 61.913 1.447 1 1 806 . 1 1 1 A 68 68 VAL CB C 110 32.422 33.017 -0.595 1 1 809 . 1 1 1 A 68 68 VAL N N 110 123.270 122.351 0.919 1 1 810 . 1 1 1 A 69 69 ASP H H 111 8.710 8.554 0.156 1 1 811 . 1 1 1 A 69 69 ASP HA H 111 4.645 4.949 -0.304 1 1 814 . 1 1 1 A 69 69 ASP C C 111 176.150 177.657 -1.507 1 1 815 . 1 1 1 A 69 69 ASP CA C 111 53.989 52.871 1.118 1 1 816 . 1 1 1 A 69 69 ASP CB C 111 41.328 41.901 -0.573 1 1 817 . 1 1 1 A 69 69 ASP N N 111 126.170 125.381 0.789 1 1 818 . 1 1 1 A 70 70 TYR H H 112 8.840 9.012 -0.172 1 1 819 . 1 1 1 A 70 70 TYR HA H 112 4.056 4.159 -0.103 1 1 826 . 1 1 1 A 70 70 TYR C C 112 177.075 177.673 -0.598 1 1 827 . 1 1 1 A 70 70 TYR CA C 112 61.890 62.085 -0.195 1 1 828 . 1 1 1 A 70 70 TYR CB C 112 38.980 38.531 0.449 1 1 829 . 1 1 1 A 70 70 TYR N N 112 123.360 123.337 0.023 1 1 830 . 1 1 1 A 71 71 GLU H H 113 8.550 8.117 0.433 1 1 831 . 1 1 1 A 71 71 GLU HA H 113 3.904 3.907 -0.003 1 1 836 . 1 1 1 A 71 71 GLU C C 113 179.338 179.323 0.015 1 1 837 . 1 1 1 A 71 71 GLU CA C 113 59.610 58.851 0.759 1 1 838 . 1 1 1 A 71 71 GLU CB C 113 27.765 29.206 -1.441 1 1 840 . 1 1 1 A 71 71 GLU N N 113 116.730 118.538 -1.808 1 1 841 . 1 1 1 A 72 72 THR H H 114 7.780 8.071 -0.291 1 1 842 . 1 1 1 A 72 72 THR HA H 114 4.320 4.000 0.320 1 1 847 . 1 1 1 A 72 72 THR C C 114 175.987 176.932 -0.945 1 1 848 . 1 1 1 A 72 72 THR CA C 114 67.579 67.215 0.364 1 1 849 . 1 1 1 A 72 72 THR CB C 114 66.640 68.491 -1.851 1 1 851 . 1 1 1 A 72 72 THR N N 114 117.340 118.347 -1.007 1 1 852 . 1 1 1 A 73 73 LEU H H 115 7.570 7.679 -0.109 1 1 853 . 1 1 1 A 73 73 LEU HA H 115 3.838 4.033 -0.195 1 1 863 . 1 1 1 A 73 73 LEU C C 115 178.670 178.544 0.126 1 1 864 . 1 1 1 A 73 73 LEU CA C 115 58.203 57.863 0.340 1 1 865 . 1 1 1 A 73 73 LEU CB C 115 40.860 41.217 -0.357 1 1 868 . 1 1 1 A 73 73 LEU N N 115 120.510 118.647 1.863 1 1 869 . 1 1 1 A 74 74 MET H H 116 8.280 7.587 0.693 1 1 870 . 1 1 1 A 74 74 MET HA H 116 4.100 4.155 -0.055 1 1 878 . 1 1 1 A 74 74 MET C C 116 178.503 178.271 0.232 1 1 879 . 1 1 1 A 74 74 MET CA C 116 57.210 57.988 -0.778 1 1 880 . 1 1 1 A 74 74 MET CB C 116 32.400 31.880 0.520 1 1 883 . 1 1 1 A 74 74 MET N N 116 116.240 118.903 -2.663 1 1 884 . 1 1 1 A 75 75 LYS H H 117 7.755 7.384 0.371 1 1 885 . 1 1 1 A 75 75 LYS HA H 117 4.146 4.038 0.108 1 1 894 . 1 1 1 A 75 75 LYS C C 117 173.559 179.370 -5.811 1 1 895 . 1 1 1 A 75 75 LYS CA C 117 59.610 58.844 0.766 1 1 896 . 1 1 1 A 75 75 LYS CB C 117 31.495 32.609 -1.114 1 1 900 . 1 1 1 A 75 75 LYS N N 117 120.230 119.400 0.830 1 1 901 . 1 1 1 A 76 76 VAL H H 118 7.880 7.979 -0.099 1 1 902 . 1 1 1 A 76 76 VAL HA H 118 3.598 3.804 -0.206 1 1 910 . 1 1 1 A 76 76 VAL C C 118 178.205 178.116 0.089 1 1 911 . 1 1 1 A 76 76 VAL CA C 118 66.641 65.331 1.310 1 1 912 . 1 1 1 A 76 76 VAL CB C 118 31.485 31.567 -0.082 1 1 915 . 1 1 1 A 76 76 VAL N N 118 120.500 116.237 4.263 1 1 916 . 1 1 1 A 77 77 MET H H 119 8.262 7.659 0.603 1 1 917 . 1 1 1 A 77 77 MET HA H 119 3.904 3.761 0.143 1 1 925 . 1 1 1 A 77 77 MET C C 119 178.200 177.606 0.594 1 1 926 . 1 1 1 A 77 77 MET CA C 119 59.610 58.574 1.036 1 1 927 . 1 1 1 A 77 77 MET CB C 119 32.422 32.489 -0.067 1 1 930 . 1 1 1 A 77 77 MET N N 119 118.320 120.051 -1.731 1 1 931 . 1 1 1 A 78 78 ASP H H 120 8.720 7.807 0.913 1 1 932 . 1 1 1 A 78 78 ASP HA H 120 4.400 4.359 0.041 1 1 935 . 1 1 1 A 78 78 ASP C C 120 178.216 178.693 -0.477 1 1 936 . 1 1 1 A 78 78 ASP CA C 120 56.797 56.928 -0.131 1 1 937 . 1 1 1 A 78 78 ASP CB C 120 38.980 40.281 -1.301 1 1 938 . 1 1 1 A 78 78 ASP N N 120 117.800 119.154 -1.354 1 1 939 . 1 1 1 A 79 79 THR H H 121 8.040 8.055 -0.015 1 1 940 . 1 1 1 A 79 79 THR HA H 121 3.939 3.998 -0.059 1 1 945 . 1 1 1 A 79 79 THR C C 121 176.582 177.020 -0.438 1 1 946 . 1 1 1 A 79 79 THR CA C 121 66.641 67.097 -0.456 1 1 947 . 1 1 1 A 79 79 THR CB C 121 68.516 68.583 -0.067 1 1 949 . 1 1 1 A 79 79 THR N N 121 118.470 117.971 0.499 1 1 950 . 1 1 1 A 80 80 LEU H H 122 7.931 7.948 -0.017 1 1 951 . 1 1 1 A 80 80 LEU HA H 122 4.136 4.149 -0.013 1 1 961 . 1 1 1 A 80 80 LEU C C 122 178.936 179.224 -0.288 1 1 962 . 1 1 1 A 80 80 LEU CA C 122 58.672 58.042 0.630 1 1 963 . 1 1 1 A 80 80 LEU CB C 122 41.328 41.040 0.288 1 1 967 . 1 1 1 A 80 80 LEU N N 122 121.676 118.551 3.125 1 1 968 . 1 1 1 A 81 81 HIS H H 123 8.825 8.213 0.612 1 1 969 . 1 1 1 A 81 81 HIS HA H 123 4.455 4.229 0.226 1 1 974 . 1 1 1 A 81 81 HIS C C 123 179.780 178.551 1.229 1 1 975 . 1 1 1 A 81 81 HIS CA C 123 57.732 59.751 -2.019 1 1 976 . 1 1 1 A 81 81 HIS CB C 123 28.672 29.752 -1.080 1 1 977 . 1 1 1 A 81 81 HIS N N 123 117.910 118.636 -0.726 1 1 978 . 1 1 1 A 82 82 GLN H H 124 8.740 8.118 0.622 1 1 979 . 1 1 1 A 82 82 GLN HA H 124 4.092 4.141 -0.049 1 1 984 . 1 1 1 A 82 82 GLN C C 124 177.091 176.775 0.316 1 1 985 . 1 1 1 A 82 82 GLN CA C 124 58.672 57.573 1.099 1 1 986 . 1 1 1 A 82 82 GLN CB C 124 28.204 27.334 0.870 1 1 988 . 1 1 1 A 82 82 GLN N N 124 120.420 116.516 3.904 1 1 989 . 1 1 1 A 83 83 ALA H H 125 7.330 7.476 -0.146 1 1 990 . 1 1 1 A 83 83 ALA HA H 125 4.495 4.380 0.115 1 1 994 . 1 1 1 A 83 83 ALA C C 125 176.371 177.771 -1.400 1 1 995 . 1 1 1 A 83 83 ALA CA C 125 52.110 51.514 0.596 1 1 996 . 1 1 1 A 83 83 ALA CB C 125 19.756 18.617 1.139 1 1 997 . 1 1 1 A 83 83 ALA N N 125 119.130 120.805 -1.675 1 1 998 . 1 1 1 A 84 84 GLY H H 126 7.780 7.834 -0.054 1 1 999 . 1 1 1 A 84 84 GLY HA2 H 126 4.111 3.861 0.250 1 1 1000 . 1 1 1 A 84 84 GLY HA3 H 126 3.505 3.954 -0.449 1 1 1001 . 1 1 1 A 84 84 GLY C C 126 173.562 173.911 -0.349 1 1 1002 . 1 1 1 A 84 84 GLY CA C 126 44.610 45.185 -0.575 1 1 1003 . 1 1 1 A 84 84 GLY N N 126 104.120 107.591 -3.471 1 1 1004 . 1 1 1 A 85 85 TYR H H 127 7.910 8.462 -0.552 1 1 1005 . 1 1 1 A 85 85 TYR HA H 127 4.551 4.221 0.330 1 1 1012 . 1 1 1 A 85 85 TYR C C 127 177.192 175.831 1.361 1 1 1013 . 1 1 1 A 85 85 TYR CA C 127 59.610 58.069 1.541 1 1 1014 . 1 1 1 A 85 85 TYR CB C 127 37.110 36.742 0.368 1 1 1015 . 1 1 1 A 85 85 TYR N N 127 120.310 120.663 -0.353 1 1 1016 . 1 1 1 A 86 86 LEU H H 128 7.835 8.393 -0.558 1 1 1017 . 1 1 1 A 86 86 LEU HA H 128 4.357 4.644 -0.287 1 1 1027 . 1 1 1 A 86 86 LEU C C 128 178.503 176.298 2.205 1 1 1028 . 1 1 1 A 86 86 LEU CA C 128 54.456 54.356 0.100 1 1 1029 . 1 1 1 A 86 86 LEU CB C 128 43.203 42.600 0.603 1 1 1033 . 1 1 1 A 86 86 LEU N N 128 120.100 122.205 -2.105 1 1 1034 . 1 1 1 A 87 87 LYS H H 129 9.330 7.884 1.446 1 1 1035 . 1 1 1 A 87 87 LYS HA H 129 4.512 4.630 -0.118 1 1 1044 . 1 1 1 A 87 87 LYS C C 129 173.251 174.925 -1.674 1 1 1045 . 1 1 1 A 87 87 LYS CA C 129 54.922 55.484 -0.562 1 1 1046 . 1 1 1 A 87 87 LYS CB C 129 31.000 33.420 -2.420 1 1 1050 . 1 1 1 A 87 87 LYS N N 129 125.180 118.648 6.532 1 1 1051 . 1 1 1 A 88 88 ILE H H 130 7.589 8.433 -0.844 1 1 1052 . 1 1 1 A 88 88 ILE HA H 130 5.015 4.828 0.187 1 1 1062 . 1 1 1 A 88 88 ILE C C 130 176.481 175.710 0.771 1 1 1063 . 1 1 1 A 88 88 ILE CA C 130 58.672 59.769 -1.097 1 1 1064 . 1 1 1 A 88 88 ILE CB C 130 40.391 38.987 1.404 1 1 1068 . 1 1 1 A 88 88 ILE N N 130 122.487 125.480 -2.993 1 1 1069 . 1 1 1 A 89 89 GLY H H 131 8.960 8.969 -0.009 1 1 1070 . 1 1 1 A 89 89 GLY HA2 H 131 4.543 3.570 0.973 1 1 1071 . 1 1 1 A 89 89 GLY HA3 H 131 3.488 3.847 -0.359 1 1 1072 . 1 1 1 A 89 89 GLY C C 131 171.936 172.322 -0.386 1 1 1073 . 1 1 1 A 89 89 GLY CA C 131 44.610 45.145 -0.535 1 1 1074 . 1 1 1 A 89 89 GLY N N 131 115.300 115.845 -0.545 1 1 1075 . 1 1 1 A 90 90 LEU H H 132 8.610 9.005 -0.395 1 1 1076 . 1 1 1 A 90 90 LEU HA H 132 5.061 4.671 0.390 1 1 1086 . 1 1 1 A 90 90 LEU C C 132 177.246 176.327 0.919 1 1 1087 . 1 1 1 A 90 90 LEU CA C 132 54.453 53.740 0.713 1 1 1088 . 1 1 1 A 90 90 LEU CB C 132 42.735 41.451 1.284 1 1 1092 . 1 1 1 A 90 90 LEU N N 132 124.560 125.111 -0.551 1 1 1093 . 1 1 1 A 91 91 VAL H H 133 8.630 8.444 0.186 1 1 1094 . 1 1 1 A 91 91 VAL HA H 133 4.299 3.754 0.545 1 1 1102 . 1 1 1 A 91 91 VAL C C 133 176.296 177.165 -0.869 1 1 1103 . 1 1 1 A 91 91 VAL CA C 133 61.953 63.538 -1.585 1 1 1104 . 1 1 1 A 91 91 VAL CB C 133 33.360 31.761 1.599 1 1 1107 . 1 1 1 A 91 91 VAL N N 133 123.280 125.565 -2.285 1 1 1108 . 1 1 1 A 92 92 GLY H H 134 8.620 9.048 -0.428 1 1 1109 . 1 1 1 A 92 92 GLY HA2 H 134 4.154 3.902 0.252 1 1 1110 . 1 1 1 A 92 92 GLY HA3 H 134 4.007 3.903 0.104 1 1 1111 . 1 1 1 A 92 92 GLY C C 134 174.157 173.754 0.403 1 1 1112 . 1 1 1 A 92 92 GLY CA C 134 45.097 46.605 -1.508 1 1 1113 . 1 1 1 A 92 92 GLY N N 134 112.500 116.008 -3.508 1 1 1114 . 1 1 1 A 93 93 GLU H H 135 8.278 7.926 0.352 1 1 1115 . 1 1 1 A 93 93 GLU HA H 135 4.387 4.578 -0.191 1 1 1120 . 1 1 1 A 93 93 GLU C C 135 176.500 174.317 2.183 1 1 1121 . 1 1 1 A 93 93 GLU CA C 135 56.797 56.208 0.589 1 1 1122 . 1 1 1 A 93 93 GLU CB C 135 29.141 31.182 -2.041 1 1 1124 . 1 1 1 A 93 93 GLU N N 135 119.460 119.963 -0.503 1 1 1125 . 1 1 1 A 94 94 GLU H H 136 8.680 8.978 -0.298 1 1 1126 . 1 1 1 A 94 94 GLU HA H 136 4.387 4.696 -0.309 1 1 1131 . 1 1 1 A 94 94 GLU C C 136 176.970 174.932 2.038 1 1 1132 . 1 1 1 A 94 94 GLU CA C 136 56.797 55.330 1.467 1 1 1133 . 1 1 1 A 94 94 GLU CB C 136 29.141 30.638 -1.497 1 1 1135 . 1 1 1 A 94 94 GLU N N 136 121.740 127.282 -5.542 1 1 1136 . 1 1 1 A 95 95 THR H H 137 8.221 7.562 0.659 1 1 1137 . 1 1 1 A 95 95 THR HA H 137 4.228 4.950 -0.722 1 1 1142 . 1 1 1 A 95 95 THR C C 137 174.880 173.610 1.270 1 1 1143 . 1 1 1 A 95 95 THR CA C 137 62.422 60.957 1.465 1 1 1144 . 1 1 1 A 95 95 THR CB C 137 69.454 71.341 -1.887 1 1 1146 . 1 1 1 A 95 95 THR N N 137 115.380 116.443 -1.063 1 1 1147 . 1 1 1 A 96 96 ALA H H 138 8.311 8.960 -0.649 1 1 1148 . 1 1 1 A 96 96 ALA HA H 138 4.233 5.430 -1.197 1 1 1152 . 1 1 1 A 96 96 ALA C C 138 178.469 175.810 2.659 1 1 1153 . 1 1 1 A 96 96 ALA CA C 138 53.516 49.998 3.518 1 1 1154 . 1 1 1 A 96 96 ALA CB C 138 18.828 22.851 -4.023 1 1 1155 . 1 1 1 A 96 96 ALA N N 138 125.688 128.280 -2.592 1 1 1156 . 1 1 1 A 97 97 LYS H H 139 8.210 8.520 -0.310 1 1 1157 . 1 1 1 A 97 97 LYS HA H 139 4.163 5.183 -1.020 1 1 1166 . 1 1 1 A 97 97 LYS C C 139 177.154 174.788 2.366 1 1 1167 . 1 1 1 A 97 97 LYS CA C 139 57.265 55.361 1.904 1 1 1168 . 1 1 1 A 97 97 LYS CB C 139 32.891 37.105 -4.214 1 1 1172 . 1 1 1 A 97 97 LYS N N 139 120.110 118.344 1.766 1 1 1173 . 1 1 1 A 98 98 ALA H H 140 8.170 8.639 -0.469 1 1 1174 . 1 1 1 A 98 98 ALA HA H 140 4.209 4.959 -0.750 1 1 1178 . 1 1 1 A 98 98 ALA C C 140 178.469 175.643 2.826 1 1 1179 . 1 1 1 A 98 98 ALA CA C 140 53.516 51.116 2.400 1 1 1180 . 1 1 1 A 98 98 ALA CB C 140 18.828 23.632 -4.804 1 1 1181 . 1 1 1 A 98 98 ALA N N 140 124.210 123.054 1.156 1 1 1 . 2 1 1 A 2 2 ASP H H 44 8.930 9.058 -0.128 1 1 2 . 2 1 1 A 2 2 ASP HA H 44 4.860 4.350 0.510 1 1 5 . 2 1 1 A 2 2 ASP C C 44 175.278 175.838 -0.560 1 1 6 . 2 1 1 A 2 2 ASP CA C 44 53.516 57.278 -3.762 1 1 7 . 2 1 1 A 2 2 ASP CB C 44 39.397 40.442 -1.045 1 1 8 . 2 1 1 A 2 2 ASP N N 44 122.920 123.071 -0.151 1 1 9 . 2 1 1 A 3 3 VAL H H 45 8.329 8.029 0.300 1 1 10 . 2 1 1 A 3 3 VAL HA H 45 4.120 3.704 0.416 1 1 18 . 2 1 1 A 3 3 VAL C C 45 175.938 175.267 0.671 1 1 19 . 2 1 1 A 3 3 VAL CA C 45 62.422 63.069 -0.647 1 1 20 . 2 1 1 A 3 3 VAL CB C 45 32.300 30.246 2.054 1 1 23 . 2 1 1 A 3 3 VAL N N 45 121.541 116.835 4.706 1 1 24 . 2 1 1 A 4 4 LYS H H 46 8.400 8.343 0.057 1 1 25 . 2 1 1 A 4 4 LYS HA H 46 4.387 4.214 0.173 1 1 34 . 2 1 1 A 4 4 LYS C C 46 176.333 175.806 0.527 1 1 35 . 2 1 1 A 4 4 LYS CA C 46 56.270 58.516 -2.246 1 1 36 . 2 1 1 A 4 4 LYS CB C 46 32.874 31.412 1.462 1 1 40 . 2 1 1 A 4 4 LYS N N 46 125.410 113.767 11.643 1 1 42 . 2 1 1 A 5 5 VAL H H 47 8.190 8.696 -0.506 1 1 43 . 2 1 1 A 5 5 VAL HA H 47 4.118 3.709 0.409 1 1 51 . 2 1 1 A 5 5 VAL C C 47 175.567 175.424 0.143 1 1 52 . 2 1 1 A 5 5 VAL CA C 47 61.954 62.330 -0.376 1 1 53 . 2 1 1 A 5 5 VAL CB C 47 32.443 30.869 1.574 1 1 56 . 2 1 1 A 5 5 VAL N N 47 121.672 116.756 4.916 1 1 57 . 2 1 1 A 6 6 ASN H H 48 8.571 8.465 0.106 1 1 58 . 2 1 1 A 6 6 ASN HA H 48 4.750 4.823 -0.073 1 1 61 . 2 1 1 A 6 6 ASN C C 48 174.566 174.331 0.235 1 1 62 . 2 1 1 A 6 6 ASN CA C 48 53.047 52.716 0.331 1 1 63 . 2 1 1 A 6 6 ASN CB C 48 38.901 40.203 -1.302 1 1 64 . 2 1 1 A 6 6 ASN N N 48 123.230 121.472 1.758 1 1 65 . 2 1 1 A 7 7 LEU H H 49 8.286 8.597 -0.311 1 1 66 . 2 1 1 A 7 7 LEU HA H 49 4.632 5.085 -0.453 1 1 76 . 2 1 1 A 7 7 LEU C C 49 175.162 173.827 1.335 1 1 77 . 2 1 1 A 7 7 LEU CA C 49 53.047 51.863 1.184 1 1 78 . 2 1 1 A 7 7 LEU CB C 49 41.825 42.943 -1.118 1 1 82 . 2 1 1 A 7 7 LEU N N 49 124.491 121.241 3.250 1 1 83 . 2 1 1 A 8 8 PRO HA H 50 4.443 4.775 -0.332 1 1 90 . 2 1 1 A 8 8 PRO C C 50 176.734 176.084 0.650 1 1 91 . 2 1 1 A 8 8 PRO CA C 50 62.903 62.511 0.392 1 1 92 . 2 1 1 A 8 8 PRO CB C 50 31.839 33.455 -1.616 1 1 95 . 2 1 1 A 9 9 ALA H H 51 8.424 8.415 0.009 1 1 96 . 2 1 1 A 9 9 ALA HA H 51 4.330 4.610 -0.280 1 1 100 . 2 1 1 A 9 9 ALA C C 51 178.124 176.688 1.436 1 1 101 . 2 1 1 A 9 9 ALA CA C 51 52.578 51.413 1.165 1 1 102 . 2 1 1 A 9 9 ALA CB C 51 19.297 19.082 0.215 1 1 103 . 2 1 1 A 9 9 ALA N N 51 124.364 120.943 3.421 1 1 104 . 2 1 1 A 10 10 SER H H 52 8.380 7.913 0.467 1 1 105 . 2 1 1 A 10 10 SER HA H 52 4.223 5.274 -1.051 1 1 108 . 2 1 1 A 10 10 SER C C 52 174.982 172.993 1.989 1 1 109 . 2 1 1 A 10 10 SER CA C 52 58.672 56.299 2.373 1 1 110 . 2 1 1 A 10 10 SER CB C 52 63.829 64.803 -0.974 1 1 111 . 2 1 1 A 10 10 SER N N 52 114.800 112.535 2.265 1 1 112 . 2 1 1 A 11 11 THR H H 53 8.227 8.870 -0.643 1 1 113 . 2 1 1 A 11 11 THR HA H 53 4.478 5.233 -0.755 1 1 118 . 2 1 1 A 11 11 THR C C 53 174.612 172.427 2.185 1 1 119 . 2 1 1 A 11 11 THR CA C 53 61.922 60.185 1.737 1 1 120 . 2 1 1 A 11 11 THR CB C 53 69.922 72.132 -2.210 1 1 122 . 2 1 1 A 11 11 THR N N 53 115.236 119.610 -4.374 1 1 123 . 2 1 1 A 12 12 SER H H 54 8.330 8.837 -0.507 1 1 124 . 2 1 1 A 12 12 SER HA H 54 4.559 4.945 -0.386 1 1 127 . 2 1 1 A 12 12 SER C C 54 174.299 172.947 1.352 1 1 128 . 2 1 1 A 12 12 SER CA C 54 58.204 57.983 0.221 1 1 129 . 2 1 1 A 12 12 SER CB C 54 63.891 66.800 -2.909 1 1 130 . 2 1 1 A 12 12 SER N N 54 117.770 121.136 -3.366 1 1 131 . 2 1 1 A 13 13 THR H H 55 8.274 8.742 -0.468 1 1 132 . 2 1 1 A 13 13 THR HA H 55 4.624 4.891 -0.267 1 1 137 . 2 1 1 A 13 13 THR C C 55 170.400 173.499 -3.099 1 1 138 . 2 1 1 A 13 13 THR CA C 55 60.079 58.810 1.269 1 1 139 . 2 1 1 A 13 13 THR CB C 55 69.922 68.907 1.015 1 1 141 . 2 1 1 A 13 13 THR N N 55 118.865 115.773 3.092 1 1 142 . 2 1 1 A 14 14 PRO HA H 56 4.458 4.635 -0.177 1 1 149 . 2 1 1 A 14 14 PRO C C 56 176.748 175.447 1.301 1 1 150 . 2 1 1 A 14 14 PRO CA C 56 63.076 62.254 0.822 1 1 151 . 2 1 1 A 14 14 PRO CB C 56 32.043 32.991 -0.948 1 1 154 . 2 1 1 A 15 15 GLN H H 57 8.547 8.173 0.374 1 1 155 . 2 1 1 A 15 15 GLN HA H 57 4.620 4.799 -0.179 1 1 160 . 2 1 1 A 15 15 GLN CA C 57 53.600 52.258 1.342 1 1 161 . 2 1 1 A 15 15 GLN CB C 57 29.141 30.158 -1.017 1 1 163 . 2 1 1 A 15 15 GLN N N 57 122.041 119.566 2.475 1 1 165 . 2 1 1 A 16 16 PRO HA H 58 4.458 4.747 -0.289 1 1 172 . 2 1 1 A 16 16 PRO C C 58 176.620 175.945 0.675 1 1 173 . 2 1 1 A 16 16 PRO CA C 58 62.872 62.964 -0.092 1 1 174 . 2 1 1 A 16 16 PRO CB C 58 32.111 32.993 -0.882 1 1 177 . 2 1 1 A 17 17 ARG H H 59 8.511 8.468 0.043 1 1 178 . 2 1 1 A 17 17 ARG HA H 59 4.643 4.921 -0.278 1 1 185 . 2 1 1 A 17 17 ARG CA C 59 53.985 53.651 0.334 1 1 186 . 2 1 1 A 17 17 ARG CB C 59 30.195 31.142 -0.947 1 1 189 . 2 1 1 A 17 17 ARG N N 59 122.731 121.334 1.397 1 1 190 . 2 1 1 A 18 18 PRO HA H 60 4.458 4.574 -0.116 1 1 197 . 2 1 1 A 18 18 PRO C C 60 176.892 177.185 -0.293 1 1 198 . 2 1 1 A 18 18 PRO CA C 60 62.940 62.764 0.176 1 1 199 . 2 1 1 A 18 18 PRO CB C 60 32.891 32.697 0.194 1 1 202 . 2 1 1 A 19 19 GLU H H 61 8.480 9.012 -0.532 1 1 203 . 2 1 1 A 19 19 GLU HA H 61 4.391 3.945 0.446 1 1 208 . 2 1 1 A 19 19 GLU C C 61 176.174 175.131 1.043 1 1 209 . 2 1 1 A 19 19 GLU CA C 61 54.922 57.309 -2.387 1 1 210 . 2 1 1 A 19 19 GLU CB C 61 29.141 28.378 0.763 1 1 212 . 2 1 1 A 19 19 GLU N N 61 120.840 121.239 -0.399 1 1 213 . 2 1 1 A 20 20 LYS H H 62 8.502 7.756 0.746 1 1 214 . 2 1 1 A 20 20 LYS HA H 62 4.620 4.811 -0.191 1 1 223 . 2 1 1 A 20 20 LYS C C 62 171.420 174.022 -2.602 1 1 224 . 2 1 1 A 20 20 LYS CA C 62 54.827 53.325 1.502 1 1 225 . 2 1 1 A 20 20 LYS CB C 62 32.422 33.831 -1.409 1 1 229 . 2 1 1 A 20 20 LYS N N 62 125.117 118.416 6.701 1 1 230 . 2 1 1 A 21 21 PRO HA H 63 4.448 4.647 -0.199 1 1 237 . 2 1 1 A 21 21 PRO CA C 63 62.261 62.496 -0.235 1 1 238 . 2 1 1 A 21 21 PRO CB C 63 32.422 32.247 0.175 1 1 241 . 2 1 1 A 22 22 VAL H H 64 8.570 8.442 0.128 1 1 242 . 2 1 1 A 22 22 VAL HA H 64 4.097 4.654 -0.557 1 1 250 . 2 1 1 A 22 22 VAL C C 64 173.862 173.839 0.023 1 1 251 . 2 1 1 A 22 22 VAL CA C 64 61.000 60.985 0.015 1 1 252 . 2 1 1 A 22 22 VAL CB C 64 33.770 33.889 -0.119 1 1 255 . 2 1 1 A 22 22 VAL N N 64 120.453 122.802 -2.349 1 1 256 . 2 1 1 A 23 23 TYR H H 65 8.600 9.112 -0.512 1 1 257 . 2 1 1 A 23 23 TYR HA H 65 5.207 5.342 -0.135 1 1 264 . 2 1 1 A 23 23 TYR C C 65 174.916 173.954 0.962 1 1 265 . 2 1 1 A 23 23 TYR CA C 65 57.210 56.264 0.946 1 1 266 . 2 1 1 A 23 23 TYR CB C 65 39.454 41.830 -2.376 1 1 267 . 2 1 1 A 23 23 TYR N N 65 124.580 129.025 -4.445 1 1 268 . 2 1 1 A 24 24 LEU H H 66 9.186 9.237 -0.051 1 1 269 . 2 1 1 A 24 24 LEU HA H 66 5.261 5.290 -0.029 1 1 279 . 2 1 1 A 24 24 LEU C C 66 175.491 176.388 -0.897 1 1 280 . 2 1 1 A 24 24 LEU CA C 66 53.516 53.678 -0.162 1 1 281 . 2 1 1 A 24 24 LEU CB C 66 45.078 44.413 0.665 1 1 285 . 2 1 1 A 24 24 LEU N N 66 128.669 127.650 1.019 1 1 286 . 2 1 1 A 25 25 SER H H 67 9.300 8.881 0.419 1 1 287 . 2 1 1 A 25 25 SER HA H 67 5.637 5.120 0.517 1 1 290 . 2 1 1 A 25 25 SER C C 67 173.470 173.565 -0.095 1 1 291 . 2 1 1 A 25 25 SER CA C 67 56.784 57.699 -0.915 1 1 292 . 2 1 1 A 25 25 SER CB C 67 65.267 65.202 0.065 1 1 293 . 2 1 1 A 25 25 SER N N 67 120.290 121.305 -1.015 1 1 294 . 2 1 1 A 26 26 VAL H H 68 8.600 8.610 -0.010 1 1 295 . 2 1 1 A 26 26 VAL HA H 68 4.847 5.260 -0.413 1 1 303 . 2 1 1 A 26 26 VAL C C 68 175.205 174.791 0.414 1 1 304 . 2 1 1 A 26 26 VAL CA C 68 60.950 60.268 0.682 1 1 305 . 2 1 1 A 26 26 VAL CB C 68 33.770 34.539 -0.769 1 1 308 . 2 1 1 A 26 26 VAL N N 68 123.723 124.476 -0.753 1 1 309 . 2 1 1 A 27 27 LYS H H 69 8.760 9.079 -0.319 1 1 310 . 2 1 1 A 27 27 LYS HA H 69 4.630 4.761 -0.131 1 1 319 . 2 1 1 A 27 27 LYS C C 69 176.007 176.081 -0.074 1 1 320 . 2 1 1 A 27 27 LYS CA C 69 62.400 54.378 8.022 1 1 321 . 2 1 1 A 27 27 LYS CB C 69 33.820 35.431 -1.611 1 1 325 . 2 1 1 A 27 27 LYS N N 69 126.000 123.444 2.556 1 1 326 . 2 1 1 A 28 28 ALA H H 70 8.728 8.709 0.019 1 1 327 . 2 1 1 A 28 28 ALA HA H 70 4.018 3.911 0.107 1 1 331 . 2 1 1 A 28 28 ALA C C 70 177.852 178.490 -0.638 1 1 332 . 2 1 1 A 28 28 ALA CA C 70 53.985 54.272 -0.287 1 1 333 . 2 1 1 A 28 28 ALA CB C 70 19.297 17.872 1.425 1 1 334 . 2 1 1 A 28 28 ALA N N 70 124.480 121.405 3.075 1 1 335 . 2 1 1 A 29 29 ASP H H 71 8.256 8.820 -0.564 1 1 336 . 2 1 1 A 29 29 ASP HA H 71 4.497 4.404 0.093 1 1 339 . 2 1 1 A 29 29 ASP C C 71 176.455 176.946 -0.491 1 1 340 . 2 1 1 A 29 29 ASP CA C 71 53.985 57.349 -3.364 1 1 341 . 2 1 1 A 29 29 ASP CB C 71 39.315 41.148 -1.833 1 1 342 . 2 1 1 A 29 29 ASP N N 71 118.722 118.435 0.287 1 1 343 . 2 1 1 A 30 30 ASN H H 72 8.380 7.808 0.572 1 1 344 . 2 1 1 A 30 30 ASN HA H 72 4.374 4.935 -0.561 1 1 349 . 2 1 1 A 30 30 ASN C C 72 174.641 173.028 1.613 1 1 350 . 2 1 1 A 30 30 ASN CA C 72 54.453 53.431 1.022 1 1 351 . 2 1 1 A 30 30 ASN CB C 72 37.579 39.413 -1.834 1 1 352 . 2 1 1 A 30 30 ASN N N 72 113.000 114.745 -1.745 1 1 353 . 2 1 1 A 31 31 SER H H 73 7.710 8.527 -0.817 1 1 354 . 2 1 1 A 31 31 SER HA H 73 4.404 5.026 -0.622 1 1 357 . 2 1 1 A 31 31 SER C C 73 172.527 173.004 -0.477 1 1 358 . 2 1 1 A 31 31 SER CA C 73 58.672 57.131 1.541 1 1 359 . 2 1 1 A 31 31 SER CB C 73 63.303 66.301 -2.998 1 1 360 . 2 1 1 A 31 31 SER N N 73 115.080 120.125 -5.045 1 1 361 . 2 1 1 A 32 32 MET H H 74 8.065 8.590 -0.525 1 1 362 . 2 1 1 A 32 32 MET HA H 74 5.573 5.249 0.324 1 1 370 . 2 1 1 A 32 32 MET C C 74 174.974 175.770 -0.796 1 1 371 . 2 1 1 A 32 32 MET CA C 74 54.397 54.367 0.030 1 1 372 . 2 1 1 A 32 32 MET CB C 74 37.579 33.746 3.833 1 1 375 . 2 1 1 A 32 32 MET N N 74 121.780 124.585 -2.805 1 1 376 . 2 1 1 A 33 33 PHE H H 75 8.900 9.112 -0.212 1 1 377 . 2 1 1 A 33 33 PHE HA H 75 5.190 4.803 0.387 1 1 384 . 2 1 1 A 33 33 PHE C C 75 175.228 174.506 0.722 1 1 385 . 2 1 1 A 33 33 PHE CA C 75 56.797 58.121 -1.324 1 1 386 . 2 1 1 A 33 33 PHE CB C 75 44.141 40.944 3.197 1 1 387 . 2 1 1 A 33 33 PHE N N 75 118.800 123.217 -4.417 1 1 388 . 2 1 1 A 34 34 ILE H H 76 8.830 8.459 0.371 1 1 389 . 2 1 1 A 34 34 ILE HA H 76 4.851 4.247 0.604 1 1 399 . 2 1 1 A 34 34 ILE C C 76 177.606 178.343 -0.737 1 1 400 . 2 1 1 A 34 34 ILE CA C 76 59.610 61.516 -1.906 1 1 401 . 2 1 1 A 34 34 ILE CB C 76 37.990 38.168 -0.178 1 1 405 . 2 1 1 A 34 34 ILE N N 76 121.330 128.184 -6.854 1 1 406 . 2 1 1 A 35 35 GLY H H 77 9.177 8.669 0.508 1 1 407 . 2 1 1 A 35 35 GLY HA2 H 77 4.139 3.819 0.320 1 1 408 . 2 1 1 A 35 35 GLY HA3 H 77 3.742 3.839 -0.097 1 1 409 . 2 1 1 A 35 35 GLY C C 77 174.757 175.065 -0.308 1 1 410 . 2 1 1 A 35 35 GLY CA C 77 47.422 47.337 0.085 1 1 411 . 2 1 1 A 35 35 GLY N N 77 118.894 113.797 5.097 1 1 412 . 2 1 1 A 36 36 ASN H H 78 9.170 7.932 1.238 1 1 413 . 2 1 1 A 36 36 ASN HA H 78 4.846 4.989 -0.143 1 1 416 . 2 1 1 A 36 36 ASN C C 78 174.867 173.598 1.269 1 1 417 . 2 1 1 A 36 36 ASN CA C 78 52.578 52.304 0.274 1 1 418 . 2 1 1 A 36 36 ASN CB C 78 38.985 38.973 0.012 1 1 419 . 2 1 1 A 36 36 ASN N N 78 125.494 117.310 8.184 1 1 420 . 2 1 1 A 37 37 ASP H H 79 8.590 7.665 0.925 1 1 421 . 2 1 1 A 37 37 ASP HA H 79 5.330 4.863 0.467 1 1 424 . 2 1 1 A 37 37 ASP C C 79 173.009 173.510 -0.501 1 1 425 . 2 1 1 A 37 37 ASP CA C 79 51.172 52.371 -1.199 1 1 426 . 2 1 1 A 37 37 ASP CB C 79 39.922 41.248 -1.326 1 1 427 . 2 1 1 A 37 37 ASP N N 79 121.409 122.711 -1.302 1 1 428 . 2 1 1 A 38 38 PRO HA H 80 4.320 4.484 -0.164 1 1 435 . 2 1 1 A 38 38 PRO C C 80 176.862 176.212 0.650 1 1 436 . 2 1 1 A 38 38 PRO CA C 80 62.422 62.340 0.082 1 1 437 . 2 1 1 A 38 38 PRO CB C 80 32.890 31.724 1.166 1 1 440 . 2 1 1 A 39 39 VAL H H 81 8.001 7.916 0.085 1 1 441 . 2 1 1 A 39 39 VAL HA H 81 4.522 4.729 -0.207 1 1 449 . 2 1 1 A 39 39 VAL C C 81 173.912 174.253 -0.341 1 1 450 . 2 1 1 A 39 39 VAL CA C 81 59.141 59.606 -0.465 1 1 451 . 2 1 1 A 39 39 VAL CB C 81 36.172 36.193 -0.021 1 1 454 . 2 1 1 A 39 39 VAL N N 81 115.450 116.695 -1.245 1 1 455 . 2 1 1 A 40 40 THR H H 82 7.672 8.463 -0.791 1 1 456 . 2 1 1 A 40 40 THR HA H 82 4.746 4.809 -0.063 1 1 461 . 2 1 1 A 40 40 THR C C 82 175.692 175.345 0.347 1 1 462 . 2 1 1 A 40 40 THR CA C 82 59.121 59.973 -0.852 1 1 463 . 2 1 1 A 40 40 THR CB C 82 72.735 71.500 1.235 1 1 465 . 2 1 1 A 40 40 THR N N 82 110.320 114.568 -4.248 1 1 466 . 2 1 1 A 41 41 ASP H H 83 9.370 8.856 0.514 1 1 467 . 2 1 1 A 41 41 ASP HA H 83 4.314 4.539 -0.225 1 1 470 . 2 1 1 A 41 41 ASP C C 83 176.943 177.423 -0.480 1 1 471 . 2 1 1 A 41 41 ASP CA C 83 56.797 56.019 0.778 1 1 472 . 2 1 1 A 41 41 ASP CB C 83 38.047 40.262 -2.215 1 1 473 . 2 1 1 A 41 41 ASP N N 83 118.710 121.710 -3.000 1 1 474 . 2 1 1 A 42 42 GLU H H 84 8.228 8.021 0.207 1 1 475 . 2 1 1 A 42 42 GLU HA H 84 4.336 4.251 0.085 1 1 480 . 2 1 1 A 42 42 GLU C C 84 177.827 178.271 -0.444 1 1 481 . 2 1 1 A 42 42 GLU CA C 84 58.204 58.391 -0.187 1 1 482 . 2 1 1 A 42 42 GLU CB C 84 29.141 30.478 -1.337 1 1 484 . 2 1 1 A 42 42 GLU N N 84 115.213 119.550 -4.337 1 1 485 . 2 1 1 A 43 43 THR H H 85 7.510 7.877 -0.367 1 1 486 . 2 1 1 A 43 43 THR HA H 85 4.664 4.639 0.025 1 1 491 . 2 1 1 A 43 43 THR C C 85 175.799 175.384 0.415 1 1 492 . 2 1 1 A 43 43 THR CA C 85 61.395 62.874 -1.479 1 1 493 . 2 1 1 A 43 43 THR CB C 85 70.391 68.798 1.593 1 1 495 . 2 1 1 A 43 43 THR N N 85 108.315 114.210 -5.895 1 1 496 . 2 1 1 A 44 44 MET H H 86 7.900 7.900 0.000 1 1 497 . 2 1 1 A 44 44 MET HA H 86 3.820 4.276 -0.456 1 1 505 . 2 1 1 A 44 44 MET C C 86 176.605 178.403 -1.798 1 1 506 . 2 1 1 A 44 44 MET CA C 86 60.547 58.130 2.417 1 1 507 . 2 1 1 A 44 44 MET CB C 86 32.422 32.115 0.307 1 1 510 . 2 1 1 A 44 44 MET N N 86 121.500 120.118 1.382 1 1 511 . 2 1 1 A 45 45 ILE H H 87 8.430 7.916 0.514 1 1 512 . 2 1 1 A 45 45 ILE HA H 87 3.686 3.777 -0.091 1 1 522 . 2 1 1 A 45 45 ILE C C 87 177.773 178.136 -0.363 1 1 523 . 2 1 1 A 45 45 ILE CA C 87 62.934 65.038 -2.104 1 1 524 . 2 1 1 A 45 45 ILE CB C 87 34.766 37.917 -3.151 1 1 528 . 2 1 1 A 45 45 ILE N N 87 117.970 120.254 -2.284 1 1 529 . 2 1 1 A 46 46 THR H H 88 8.070 8.253 -0.183 1 1 530 . 2 1 1 A 46 46 THR HA H 88 3.953 4.089 -0.136 1 1 535 . 2 1 1 A 46 46 THR C C 88 177.011 176.969 0.042 1 1 536 . 2 1 1 A 46 46 THR CA C 88 66.640 65.272 1.368 1 1 537 . 2 1 1 A 46 46 THR CB C 88 68.000 68.210 -0.210 1 1 539 . 2 1 1 A 46 46 THR N N 88 116.920 112.553 4.367 1 1 540 . 2 1 1 A 47 47 ALA H H 89 7.710 8.062 -0.352 1 1 541 . 2 1 1 A 47 47 ALA HA H 89 4.240 4.143 0.097 1 1 545 . 2 1 1 A 47 47 ALA C C 89 174.356 179.809 -5.453 1 1 546 . 2 1 1 A 47 47 ALA CA C 89 55.094 55.231 -0.137 1 1 547 . 2 1 1 A 47 47 ALA CB C 89 18.828 18.550 0.278 1 1 548 . 2 1 1 A 47 47 ALA N N 89 123.490 124.685 -1.195 1 1 549 . 2 1 1 A 48 48 LEU H H 90 8.570 8.139 0.431 1 1 550 . 2 1 1 A 48 48 LEU HA H 90 3.445 3.993 -0.548 1 1 560 . 2 1 1 A 48 48 LEU C C 90 178.088 179.488 -1.400 1 1 561 . 2 1 1 A 48 48 LEU CA C 90 67.110 58.231 8.879 1 1 562 . 2 1 1 A 48 48 LEU CB C 90 31.420 42.124 -10.704 1 1 566 . 2 1 1 A 48 48 LEU N N 90 119.800 118.017 1.783 1 1 567 . 2 1 1 A 49 49 ASN H H 91 8.979 8.752 0.227 1 1 568 . 2 1 1 A 49 49 ASN HA H 91 4.494 4.486 0.008 1 1 571 . 2 1 1 A 49 49 ASN C C 91 178.227 178.118 0.109 1 1 572 . 2 1 1 A 49 49 ASN CA C 91 54.397 56.381 -1.984 1 1 573 . 2 1 1 A 49 49 ASN CB C 91 37.578 37.852 -0.274 1 1 574 . 2 1 1 A 49 49 ASN N N 91 117.500 117.642 -0.142 1 1 575 . 2 1 1 A 50 50 ALA H H 92 7.710 7.803 -0.093 1 1 576 . 2 1 1 A 50 50 ALA HA H 92 4.232 4.041 0.191 1 1 580 . 2 1 1 A 50 50 ALA C C 92 180.155 179.852 0.303 1 1 581 . 2 1 1 A 50 50 ALA CA C 92 54.886 55.203 -0.317 1 1 582 . 2 1 1 A 50 50 ALA CB C 92 17.962 18.749 -0.787 1 1 583 . 2 1 1 A 50 50 ALA N N 92 120.900 123.114 -2.214 1 1 584 . 2 1 1 A 51 51 LEU H H 93 7.670 8.214 -0.544 1 1 585 . 2 1 1 A 51 51 LEU HA H 93 4.340 3.964 0.376 1 1 595 . 2 1 1 A 51 51 LEU C C 93 179.407 179.613 -0.206 1 1 596 . 2 1 1 A 51 51 LEU CA C 93 56.829 57.963 -1.134 1 1 597 . 2 1 1 A 51 51 LEU CB C 93 42.734 42.469 0.265 1 1 601 . 2 1 1 A 51 51 LEU N N 93 117.980 118.039 -0.059 1 1 602 . 2 1 1 A 52 52 THR H H 94 8.530 8.208 0.322 1 1 603 . 2 1 1 A 52 52 THR HA H 94 4.437 4.220 0.217 1 1 608 . 2 1 1 A 52 52 THR C C 94 177.112 174.973 2.139 1 1 609 . 2 1 1 A 52 52 THR CA C 94 61.485 63.511 -2.026 1 1 610 . 2 1 1 A 52 52 THR CB C 94 70.860 70.079 0.781 1 1 612 . 2 1 1 A 52 52 THR N N 94 107.010 109.013 -2.003 1 1 613 . 2 1 1 A 53 53 GLU H H 95 8.001 7.997 0.004 1 1 614 . 2 1 1 A 53 53 GLU HA H 95 4.062 4.218 -0.156 1 1 619 . 2 1 1 A 53 53 GLU C C 95 176.199 175.805 0.394 1 1 620 . 2 1 1 A 53 53 GLU CA C 95 56.797 57.387 -0.590 1 1 621 . 2 1 1 A 53 53 GLU CB C 95 26.346 28.624 -2.278 1 1 623 . 2 1 1 A 53 53 GLU N N 95 117.560 121.172 -3.612 1 1 624 . 2 1 1 A 54 54 GLY H H 96 8.349 8.779 -0.430 1 1 625 . 2 1 1 A 54 54 GLY HA2 H 96 4.120 3.855 0.265 1 1 626 . 2 1 1 A 54 54 GLY HA3 H 96 3.520 3.869 -0.349 1 1 627 . 2 1 1 A 54 54 GLY C C 96 174.264 173.952 0.312 1 1 628 . 2 1 1 A 54 54 GLY CA C 96 44.600 46.654 -2.054 1 1 629 . 2 1 1 A 54 54 GLY N N 96 105.347 105.369 -0.022 1 1 630 . 2 1 1 A 55 55 LYS H H 97 7.400 7.662 -0.262 1 1 631 . 2 1 1 A 55 55 LYS HA H 97 4.386 4.470 -0.084 1 1 640 . 2 1 1 A 55 55 LYS C C 97 177.395 175.656 1.739 1 1 641 . 2 1 1 A 55 55 LYS CA C 97 56.797 55.251 1.546 1 1 642 . 2 1 1 A 55 55 LYS CB C 97 30.522 33.095 -2.573 1 1 646 . 2 1 1 A 55 55 LYS N N 97 120.080 120.287 -0.207 1 1 647 . 2 1 1 A 56 56 LYS H H 98 8.510 8.488 0.022 1 1 648 . 2 1 1 A 56 56 LYS HA H 98 3.940 4.362 -0.422 1 1 657 . 2 1 1 A 56 56 LYS C C 98 176.420 177.894 -1.474 1 1 658 . 2 1 1 A 56 56 LYS CA C 98 56.741 57.276 -0.535 1 1 659 . 2 1 1 A 56 56 LYS CB C 98 30.079 32.721 -2.642 1 1 663 . 2 1 1 A 56 56 LYS N N 98 126.202 125.011 1.191 1 1 664 . 2 1 1 A 57 57 ASP H H 99 8.510 8.197 0.313 1 1 665 . 2 1 1 A 57 57 ASP HA H 99 4.570 4.419 0.151 1 1 668 . 2 1 1 A 57 57 ASP C C 99 174.777 176.988 -2.211 1 1 669 . 2 1 1 A 57 57 ASP CA C 99 52.991 56.524 -3.533 1 1 670 . 2 1 1 A 57 57 ASP CB C 99 38.516 41.108 -2.592 1 1 671 . 2 1 1 A 57 57 ASP N N 99 116.900 119.501 -2.601 1 1 672 . 2 1 1 A 58 58 THR H H 100 7.400 7.683 -0.283 1 1 673 . 2 1 1 A 58 58 THR HA H 100 3.971 4.225 -0.254 1 1 678 . 2 1 1 A 58 58 THR C C 100 172.742 174.420 -1.678 1 1 679 . 2 1 1 A 58 58 THR CA C 100 63.360 64.333 -0.973 1 1 680 . 2 1 1 A 58 58 THR CB C 100 70.391 69.363 1.028 1 1 682 . 2 1 1 A 58 58 THR N N 100 117.350 113.951 3.399 1 1 683 . 2 1 1 A 59 59 THR H H 101 8.414 8.579 -0.165 1 1 684 . 2 1 1 A 59 59 THR HA H 101 4.174 4.656 -0.482 1 1 689 . 2 1 1 A 59 59 THR C C 101 172.505 174.238 -1.733 1 1 690 . 2 1 1 A 59 59 THR CA C 101 63.829 63.851 -0.022 1 1 691 . 2 1 1 A 59 59 THR CB C 101 69.454 68.796 0.658 1 1 693 . 2 1 1 A 59 59 THR N N 101 123.260 121.924 1.336 1 1 694 . 2 1 1 A 60 60 ILE H H 102 8.190 8.777 -0.587 1 1 695 . 2 1 1 A 60 60 ILE HA H 102 4.399 5.061 -0.662 1 1 705 . 2 1 1 A 60 60 ILE C C 102 175.119 175.100 0.019 1 1 706 . 2 1 1 A 60 60 ILE CA C 102 58.204 60.373 -2.169 1 1 707 . 2 1 1 A 60 60 ILE CB C 102 38.047 39.773 -1.726 1 1 711 . 2 1 1 A 60 60 ILE N N 102 126.467 128.141 -1.674 1 1 712 . 2 1 1 A 61 61 PHE H H 103 8.900 8.861 0.039 1 1 713 . 2 1 1 A 61 61 PHE HA H 103 5.204 5.175 0.029 1 1 720 . 2 1 1 A 61 61 PHE C C 103 174.877 174.868 0.009 1 1 721 . 2 1 1 A 61 61 PHE CA C 103 57.266 56.402 0.864 1 1 722 . 2 1 1 A 61 61 PHE CB C 103 40.860 39.438 1.422 1 1 723 . 2 1 1 A 61 61 PHE N N 103 125.650 126.880 -1.230 1 1 724 . 2 1 1 A 62 62 PHE H H 104 9.110 8.844 0.266 1 1 725 . 2 1 1 A 62 62 PHE HA H 104 5.590 4.899 0.691 1 1 732 . 2 1 1 A 62 62 PHE C C 104 174.407 174.032 0.375 1 1 733 . 2 1 1 A 62 62 PHE CA C 104 54.922 56.791 -1.869 1 1 734 . 2 1 1 A 62 62 PHE CB C 104 41.300 39.801 1.499 1 1 735 . 2 1 1 A 62 62 PHE N N 104 123.447 124.833 -1.386 1 1 736 . 2 1 1 A 63 63 ARG H H 105 9.020 8.650 0.370 1 1 737 . 2 1 1 A 63 63 ARG HA H 105 4.830 4.881 -0.051 1 1 744 . 2 1 1 A 63 63 ARG C C 105 173.862 174.548 -0.686 1 1 745 . 2 1 1 A 63 63 ARG CA C 105 54.453 55.243 -0.790 1 1 746 . 2 1 1 A 63 63 ARG CB C 105 32.422 31.684 0.738 1 1 749 . 2 1 1 A 63 63 ARG N N 105 126.020 129.037 -3.017 1 1 750 . 2 1 1 A 64 64 ALA H H 106 8.640 8.717 -0.077 1 1 751 . 2 1 1 A 64 64 ALA HA H 106 5.223 5.023 0.200 1 1 755 . 2 1 1 A 64 64 ALA C C 106 176.565 177.067 -0.502 1 1 756 . 2 1 1 A 64 64 ALA CA C 106 50.235 50.353 -0.118 1 1 757 . 2 1 1 A 64 64 ALA CB C 106 22.110 20.540 1.570 1 1 758 . 2 1 1 A 64 64 ALA N N 106 126.540 129.876 -3.336 1 1 759 . 2 1 1 A 65 65 ASP H H 107 7.900 8.588 -0.688 1 1 760 . 2 1 1 A 65 65 ASP HA H 107 4.685 4.583 0.102 1 1 763 . 2 1 1 A 65 65 ASP C C 107 176.987 177.531 -0.544 1 1 764 . 2 1 1 A 65 65 ASP CA C 107 54.453 54.423 0.030 1 1 765 . 2 1 1 A 65 65 ASP CB C 107 42.209 41.863 0.346 1 1 766 . 2 1 1 A 65 65 ASP N N 107 121.600 121.152 0.448 1 1 767 . 2 1 1 A 66 66 LYS H H 108 8.700 8.904 -0.204 1 1 768 . 2 1 1 A 66 66 LYS HA H 108 4.221 4.120 0.101 1 1 777 . 2 1 1 A 66 66 LYS C C 108 177.007 177.360 -0.353 1 1 778 . 2 1 1 A 66 66 LYS CA C 108 58.682 58.855 -0.173 1 1 779 . 2 1 1 A 66 66 LYS CB C 108 32.422 31.977 0.445 1 1 783 . 2 1 1 A 66 66 LYS N N 108 120.740 122.490 -1.750 1 1 784 . 2 1 1 A 67 67 THR H H 109 8.035 7.682 0.353 1 1 785 . 2 1 1 A 67 67 THR HA H 109 4.270 4.462 -0.192 1 1 790 . 2 1 1 A 67 67 THR C C 109 175.031 173.339 1.692 1 1 791 . 2 1 1 A 67 67 THR CA C 109 62.422 61.403 1.019 1 1 792 . 2 1 1 A 67 67 THR CB C 109 68.985 68.886 0.099 1 1 794 . 2 1 1 A 67 67 THR N N 109 108.086 106.596 1.490 1 1 795 . 2 1 1 A 68 68 VAL H H 110 7.470 7.293 0.177 1 1 796 . 2 1 1 A 68 68 VAL HA H 110 3.960 4.351 -0.391 1 1 804 . 2 1 1 A 68 68 VAL C C 110 175.691 174.813 0.878 1 1 805 . 2 1 1 A 68 68 VAL CA C 110 63.360 61.304 2.056 1 1 806 . 2 1 1 A 68 68 VAL CB C 110 32.422 34.202 -1.780 1 1 809 . 2 1 1 A 68 68 VAL N N 110 123.270 122.273 0.997 1 1 810 . 2 1 1 A 69 69 ASP H H 111 8.710 8.730 -0.020 1 1 811 . 2 1 1 A 69 69 ASP HA H 111 4.645 5.074 -0.429 1 1 814 . 2 1 1 A 69 69 ASP C C 111 176.150 177.397 -1.247 1 1 815 . 2 1 1 A 69 69 ASP CA C 111 53.989 52.803 1.186 1 1 816 . 2 1 1 A 69 69 ASP CB C 111 41.328 43.580 -2.252 1 1 817 . 2 1 1 A 69 69 ASP N N 111 126.170 125.889 0.281 1 1 818 . 2 1 1 A 70 70 TYR H H 112 8.840 9.056 -0.216 1 1 819 . 2 1 1 A 70 70 TYR HA H 112 4.056 4.170 -0.114 1 1 826 . 2 1 1 A 70 70 TYR C C 112 177.075 177.590 -0.515 1 1 827 . 2 1 1 A 70 70 TYR CA C 112 61.890 62.121 -0.231 1 1 828 . 2 1 1 A 70 70 TYR CB C 112 38.980 38.646 0.334 1 1 829 . 2 1 1 A 70 70 TYR N N 112 123.360 123.436 -0.076 1 1 830 . 2 1 1 A 71 71 GLU H H 113 8.550 8.270 0.280 1 1 831 . 2 1 1 A 71 71 GLU HA H 113 3.904 3.859 0.045 1 1 836 . 2 1 1 A 71 71 GLU C C 113 179.338 178.789 0.549 1 1 837 . 2 1 1 A 71 71 GLU CA C 113 59.610 58.904 0.706 1 1 838 . 2 1 1 A 71 71 GLU CB C 113 27.765 29.115 -1.350 1 1 840 . 2 1 1 A 71 71 GLU N N 113 116.730 119.112 -2.382 1 1 841 . 2 1 1 A 72 72 THR H H 114 7.780 7.763 0.017 1 1 842 . 2 1 1 A 72 72 THR HA H 114 4.320 3.933 0.387 1 1 847 . 2 1 1 A 72 72 THR C C 114 175.987 176.785 -0.798 1 1 848 . 2 1 1 A 72 72 THR CA C 114 67.579 66.799 0.780 1 1 849 . 2 1 1 A 72 72 THR CB C 114 66.640 68.468 -1.828 1 1 851 . 2 1 1 A 72 72 THR N N 114 117.340 116.773 0.567 1 1 852 . 2 1 1 A 73 73 LEU H H 115 7.570 7.689 -0.119 1 1 853 . 2 1 1 A 73 73 LEU HA H 115 3.838 4.025 -0.187 1 1 863 . 2 1 1 A 73 73 LEU C C 115 178.670 178.527 0.143 1 1 864 . 2 1 1 A 73 73 LEU CA C 115 58.203 57.807 0.396 1 1 865 . 2 1 1 A 73 73 LEU CB C 115 40.860 41.206 -0.346 1 1 868 . 2 1 1 A 73 73 LEU N N 115 120.510 118.150 2.360 1 1 869 . 2 1 1 A 74 74 MET H H 116 8.280 7.581 0.699 1 1 870 . 2 1 1 A 74 74 MET HA H 116 4.100 4.076 0.024 1 1 878 . 2 1 1 A 74 74 MET C C 116 178.503 178.124 0.379 1 1 879 . 2 1 1 A 74 74 MET CA C 116 57.210 57.997 -0.787 1 1 880 . 2 1 1 A 74 74 MET CB C 116 32.400 31.787 0.613 1 1 883 . 2 1 1 A 74 74 MET N N 116 116.240 118.868 -2.628 1 1 884 . 2 1 1 A 75 75 LYS H H 117 7.755 7.557 0.198 1 1 885 . 2 1 1 A 75 75 LYS HA H 117 4.146 3.989 0.157 1 1 894 . 2 1 1 A 75 75 LYS C C 117 173.559 179.424 -5.865 1 1 895 . 2 1 1 A 75 75 LYS CA C 117 59.610 59.142 0.468 1 1 896 . 2 1 1 A 75 75 LYS CB C 117 31.495 32.441 -0.946 1 1 900 . 2 1 1 A 75 75 LYS N N 117 120.230 119.401 0.829 1 1 901 . 2 1 1 A 76 76 VAL H H 118 7.880 7.527 0.353 1 1 902 . 2 1 1 A 76 76 VAL HA H 118 3.598 3.833 -0.235 1 1 910 . 2 1 1 A 76 76 VAL C C 118 178.205 177.898 0.307 1 1 911 . 2 1 1 A 76 76 VAL CA C 118 66.641 65.092 1.549 1 1 912 . 2 1 1 A 76 76 VAL CB C 118 31.485 31.488 -0.003 1 1 915 . 2 1 1 A 76 76 VAL N N 118 120.500 115.745 4.755 1 1 916 . 2 1 1 A 77 77 MET H H 119 8.262 8.085 0.177 1 1 917 . 2 1 1 A 77 77 MET HA H 119 3.904 4.001 -0.097 1 1 925 . 2 1 1 A 77 77 MET C C 119 178.200 177.641 0.559 1 1 926 . 2 1 1 A 77 77 MET CA C 119 59.610 58.091 1.519 1 1 927 . 2 1 1 A 77 77 MET CB C 119 32.422 31.566 0.856 1 1 930 . 2 1 1 A 77 77 MET N N 119 118.320 120.199 -1.879 1 1 931 . 2 1 1 A 78 78 ASP H H 120 8.720 7.782 0.938 1 1 932 . 2 1 1 A 78 78 ASP HA H 120 4.400 4.339 0.061 1 1 935 . 2 1 1 A 78 78 ASP C C 120 178.216 178.958 -0.742 1 1 936 . 2 1 1 A 78 78 ASP CA C 120 56.797 57.054 -0.257 1 1 937 . 2 1 1 A 78 78 ASP CB C 120 38.980 40.606 -1.626 1 1 938 . 2 1 1 A 78 78 ASP N N 120 117.800 119.245 -1.445 1 1 939 . 2 1 1 A 79 79 THR H H 121 8.040 7.812 0.228 1 1 940 . 2 1 1 A 79 79 THR HA H 121 3.939 4.009 -0.070 1 1 945 . 2 1 1 A 79 79 THR C C 121 176.582 177.225 -0.643 1 1 946 . 2 1 1 A 79 79 THR CA C 121 66.641 67.390 -0.749 1 1 947 . 2 1 1 A 79 79 THR CB C 121 68.516 68.606 -0.090 1 1 949 . 2 1 1 A 79 79 THR N N 121 118.470 117.015 1.455 1 1 950 . 2 1 1 A 80 80 LEU H H 122 7.931 8.242 -0.311 1 1 951 . 2 1 1 A 80 80 LEU HA H 122 4.136 4.149 -0.013 1 1 961 . 2 1 1 A 80 80 LEU C C 122 178.936 179.102 -0.166 1 1 962 . 2 1 1 A 80 80 LEU CA C 122 58.672 58.014 0.658 1 1 963 . 2 1 1 A 80 80 LEU CB C 122 41.328 41.119 0.209 1 1 967 . 2 1 1 A 80 80 LEU N N 122 121.676 118.604 3.072 1 1 968 . 2 1 1 A 81 81 HIS H H 123 8.825 7.888 0.937 1 1 969 . 2 1 1 A 81 81 HIS HA H 123 4.455 4.250 0.205 1 1 974 . 2 1 1 A 81 81 HIS C C 123 179.780 178.559 1.221 1 1 975 . 2 1 1 A 81 81 HIS CA C 123 57.732 59.466 -1.734 1 1 976 . 2 1 1 A 81 81 HIS CB C 123 28.672 29.960 -1.288 1 1 977 . 2 1 1 A 81 81 HIS N N 123 117.910 118.672 -0.762 1 1 978 . 2 1 1 A 82 82 GLN H H 124 8.740 8.147 0.593 1 1 979 . 2 1 1 A 82 82 GLN HA H 124 4.092 4.107 -0.015 1 1 984 . 2 1 1 A 82 82 GLN C C 124 177.091 176.867 0.224 1 1 985 . 2 1 1 A 82 82 GLN CA C 124 58.672 57.941 0.731 1 1 986 . 2 1 1 A 82 82 GLN CB C 124 28.204 27.790 0.414 1 1 988 . 2 1 1 A 82 82 GLN N N 124 120.420 117.216 3.204 1 1 989 . 2 1 1 A 83 83 ALA H H 125 7.330 7.469 -0.139 1 1 990 . 2 1 1 A 83 83 ALA HA H 125 4.495 4.330 0.165 1 1 994 . 2 1 1 A 83 83 ALA C C 125 176.371 177.924 -1.553 1 1 995 . 2 1 1 A 83 83 ALA CA C 125 52.110 51.653 0.457 1 1 996 . 2 1 1 A 83 83 ALA CB C 125 19.756 18.706 1.050 1 1 997 . 2 1 1 A 83 83 ALA N N 125 119.130 120.734 -1.604 1 1 998 . 2 1 1 A 84 84 GLY H H 126 7.780 8.132 -0.352 1 1 999 . 2 1 1 A 84 84 GLY HA2 H 126 4.111 3.809 0.302 1 1 1000 . 2 1 1 A 84 84 GLY HA3 H 126 3.505 3.894 -0.389 1 1 1001 . 2 1 1 A 84 84 GLY C C 126 173.562 173.803 -0.241 1 1 1002 . 2 1 1 A 84 84 GLY CA C 126 44.610 45.481 -0.871 1 1 1003 . 2 1 1 A 84 84 GLY N N 126 104.120 107.563 -3.443 1 1 1004 . 2 1 1 A 85 85 TYR H H 127 7.910 8.413 -0.503 1 1 1005 . 2 1 1 A 85 85 TYR HA H 127 4.551 4.213 0.338 1 1 1012 . 2 1 1 A 85 85 TYR C C 127 177.192 175.769 1.423 1 1 1013 . 2 1 1 A 85 85 TYR CA C 127 59.610 58.037 1.573 1 1 1014 . 2 1 1 A 85 85 TYR CB C 127 37.110 36.567 0.543 1 1 1015 . 2 1 1 A 85 85 TYR N N 127 120.310 120.901 -0.591 1 1 1016 . 2 1 1 A 86 86 LEU H H 128 7.835 8.336 -0.501 1 1 1017 . 2 1 1 A 86 86 LEU HA H 128 4.357 4.493 -0.136 1 1 1027 . 2 1 1 A 86 86 LEU C C 128 178.503 176.299 2.204 1 1 1028 . 2 1 1 A 86 86 LEU CA C 128 54.456 54.269 0.187 1 1 1029 . 2 1 1 A 86 86 LEU CB C 128 43.203 42.438 0.765 1 1 1033 . 2 1 1 A 86 86 LEU N N 128 120.100 121.635 -1.535 1 1 1034 . 2 1 1 A 87 87 LYS H H 129 9.330 7.836 1.494 1 1 1035 . 2 1 1 A 87 87 LYS HA H 129 4.512 4.591 -0.079 1 1 1044 . 2 1 1 A 87 87 LYS C C 129 173.251 174.925 -1.674 1 1 1045 . 2 1 1 A 87 87 LYS CA C 129 54.922 55.472 -0.550 1 1 1046 . 2 1 1 A 87 87 LYS CB C 129 31.000 33.413 -2.413 1 1 1050 . 2 1 1 A 87 87 LYS N N 129 125.180 118.579 6.601 1 1 1051 . 2 1 1 A 88 88 ILE H H 130 7.589 8.462 -0.873 1 1 1052 . 2 1 1 A 88 88 ILE HA H 130 5.015 4.759 0.256 1 1 1062 . 2 1 1 A 88 88 ILE C C 130 176.481 175.797 0.684 1 1 1063 . 2 1 1 A 88 88 ILE CA C 130 58.672 59.722 -1.050 1 1 1064 . 2 1 1 A 88 88 ILE CB C 130 40.391 38.626 1.765 1 1 1068 . 2 1 1 A 88 88 ILE N N 130 122.487 125.628 -3.141 1 1 1069 . 2 1 1 A 89 89 GLY H H 131 8.960 8.728 0.232 1 1 1070 . 2 1 1 A 89 89 GLY HA2 H 131 4.543 3.246 1.297 1 1 1071 . 2 1 1 A 89 89 GLY HA3 H 131 3.488 3.774 -0.286 1 1 1072 . 2 1 1 A 89 89 GLY C C 131 171.936 172.072 -0.136 1 1 1073 . 2 1 1 A 89 89 GLY CA C 131 44.610 44.963 -0.353 1 1 1074 . 2 1 1 A 89 89 GLY N N 131 115.300 115.734 -0.434 1 1 1075 . 2 1 1 A 90 90 LEU H H 132 8.610 8.995 -0.385 1 1 1076 . 2 1 1 A 90 90 LEU HA H 132 5.061 4.700 0.361 1 1 1086 . 2 1 1 A 90 90 LEU C C 132 177.246 176.600 0.646 1 1 1087 . 2 1 1 A 90 90 LEU CA C 132 54.453 53.420 1.033 1 1 1088 . 2 1 1 A 90 90 LEU CB C 132 42.735 41.650 1.085 1 1 1092 . 2 1 1 A 90 90 LEU N N 132 124.560 124.791 -0.231 1 1 1093 . 2 1 1 A 91 91 VAL H H 133 8.630 8.501 0.129 1 1 1094 . 2 1 1 A 91 91 VAL HA H 133 4.299 3.945 0.354 1 1 1102 . 2 1 1 A 91 91 VAL C C 133 176.296 177.167 -0.871 1 1 1103 . 2 1 1 A 91 91 VAL CA C 133 61.953 63.693 -1.740 1 1 1104 . 2 1 1 A 91 91 VAL CB C 133 33.360 31.777 1.583 1 1 1107 . 2 1 1 A 91 91 VAL N N 133 123.280 126.111 -2.831 1 1 1108 . 2 1 1 A 92 92 GLY H H 134 8.620 9.137 -0.517 1 1 1109 . 2 1 1 A 92 92 GLY HA2 H 134 4.154 3.983 0.171 1 1 1110 . 2 1 1 A 92 92 GLY HA3 H 134 4.007 3.988 0.019 1 1 1111 . 2 1 1 A 92 92 GLY C C 134 174.157 174.879 -0.722 1 1 1112 . 2 1 1 A 92 92 GLY CA C 134 45.097 46.899 -1.802 1 1 1113 . 2 1 1 A 92 92 GLY N N 134 112.500 116.340 -3.840 1 1 1114 . 2 1 1 A 93 93 GLU H H 135 8.278 8.553 -0.275 1 1 1115 . 2 1 1 A 93 93 GLU HA H 135 4.387 4.415 -0.028 1 1 1120 . 2 1 1 A 93 93 GLU C C 135 176.500 175.299 1.201 1 1 1121 . 2 1 1 A 93 93 GLU CA C 135 56.797 55.901 0.896 1 1 1122 . 2 1 1 A 93 93 GLU CB C 135 29.141 28.156 0.985 1 1 1124 . 2 1 1 A 93 93 GLU N N 135 119.460 119.762 -0.302 1 1 1125 . 2 1 1 A 94 94 GLU H H 136 8.680 8.061 0.619 1 1 1126 . 2 1 1 A 94 94 GLU HA H 136 4.387 4.538 -0.151 1 1 1131 . 2 1 1 A 94 94 GLU C C 136 176.970 175.015 1.955 1 1 1132 . 2 1 1 A 94 94 GLU CA C 136 56.797 56.341 0.456 1 1 1133 . 2 1 1 A 94 94 GLU CB C 136 29.141 29.746 -0.605 1 1 1135 . 2 1 1 A 94 94 GLU N N 136 121.740 121.859 -0.119 1 1 1136 . 2 1 1 A 95 95 THR H H 137 8.221 8.954 -0.733 1 1 1137 . 2 1 1 A 95 95 THR HA H 137 4.228 5.035 -0.807 1 1 1142 . 2 1 1 A 95 95 THR C C 137 174.880 173.995 0.885 1 1 1143 . 2 1 1 A 95 95 THR CA C 137 62.422 61.605 0.817 1 1 1144 . 2 1 1 A 95 95 THR CB C 137 69.454 70.641 -1.187 1 1 1146 . 2 1 1 A 95 95 THR N N 137 115.380 119.753 -4.373 1 1 1147 . 2 1 1 A 96 96 ALA H H 138 8.311 8.659 -0.348 1 1 1148 . 2 1 1 A 96 96 ALA HA H 138 4.233 4.923 -0.690 1 1 1152 . 2 1 1 A 96 96 ALA C C 138 178.469 175.624 2.845 1 1 1153 . 2 1 1 A 96 96 ALA CA C 138 53.516 51.870 1.646 1 1 1154 . 2 1 1 A 96 96 ALA CB C 138 18.828 21.744 -2.916 1 1 1155 . 2 1 1 A 96 96 ALA N N 138 125.688 125.042 0.646 1 1 1156 . 2 1 1 A 97 97 LYS H H 139 8.210 8.651 -0.441 1 1 1157 . 2 1 1 A 97 97 LYS HA H 139 4.163 4.828 -0.665 1 1 1166 . 2 1 1 A 97 97 LYS C C 139 177.154 174.584 2.570 1 1 1167 . 2 1 1 A 97 97 LYS CA C 139 57.265 55.919 1.346 1 1 1168 . 2 1 1 A 97 97 LYS CB C 139 32.891 35.962 -3.071 1 1 1172 . 2 1 1 A 97 97 LYS N N 139 120.110 122.126 -2.016 1 1 1173 . 2 1 1 A 98 98 ALA H H 140 8.170 8.638 -0.468 1 1 1174 . 2 1 1 A 98 98 ALA HA H 140 4.209 4.954 -0.745 1 1 1178 . 2 1 1 A 98 98 ALA C C 140 178.469 175.794 2.675 1 1 1179 . 2 1 1 A 98 98 ALA CA C 140 53.516 52.000 1.516 1 1 1180 . 2 1 1 A 98 98 ALA CB C 140 18.828 21.360 -2.532 1 1 1181 . 2 1 1 A 98 98 ALA N N 140 124.210 126.700 -2.490 1 1 1 . 3 1 1 A 2 2 ASP H H 44 8.930 7.863 1.067 1 1 2 . 3 1 1 A 2 2 ASP HA H 44 4.860 5.031 -0.171 1 1 5 . 3 1 1 A 2 2 ASP C C 44 175.278 174.205 1.073 1 1 6 . 3 1 1 A 2 2 ASP CA C 44 53.516 54.247 -0.731 1 1 7 . 3 1 1 A 2 2 ASP CB C 44 39.397 41.884 -2.487 1 1 8 . 3 1 1 A 2 2 ASP N N 44 122.920 120.085 2.835 1 1 9 . 3 1 1 A 3 3 VAL H H 45 8.329 8.859 -0.530 1 1 10 . 3 1 1 A 3 3 VAL HA H 45 4.120 5.005 -0.885 1 1 18 . 3 1 1 A 3 3 VAL C C 45 175.938 173.632 2.306 1 1 19 . 3 1 1 A 3 3 VAL CA C 45 62.422 59.681 2.741 1 1 20 . 3 1 1 A 3 3 VAL CB C 45 32.300 35.818 -3.518 1 1 23 . 3 1 1 A 3 3 VAL N N 45 121.541 123.486 -1.945 1 1 24 . 3 1 1 A 4 4 LYS H H 46 8.400 8.737 -0.337 1 1 25 . 3 1 1 A 4 4 LYS HA H 46 4.387 4.693 -0.306 1 1 34 . 3 1 1 A 4 4 LYS C C 46 176.333 176.101 0.232 1 1 35 . 3 1 1 A 4 4 LYS CA C 46 56.270 55.203 1.067 1 1 36 . 3 1 1 A 4 4 LYS CB C 46 32.874 32.360 0.514 1 1 40 . 3 1 1 A 4 4 LYS N N 46 125.410 126.706 -1.296 1 1 42 . 3 1 1 A 5 5 VAL H H 47 8.190 8.097 0.093 1 1 43 . 3 1 1 A 5 5 VAL HA H 47 4.118 4.026 0.092 1 1 51 . 3 1 1 A 5 5 VAL C C 47 175.567 175.373 0.194 1 1 52 . 3 1 1 A 5 5 VAL CA C 47 61.954 63.045 -1.091 1 1 53 . 3 1 1 A 5 5 VAL CB C 47 32.443 31.256 1.187 1 1 56 . 3 1 1 A 5 5 VAL N N 47 121.672 121.623 0.049 1 1 57 . 3 1 1 A 6 6 ASN H H 48 8.571 8.693 -0.122 1 1 58 . 3 1 1 A 6 6 ASN HA H 48 4.750 5.231 -0.481 1 1 61 . 3 1 1 A 6 6 ASN C C 48 174.566 173.345 1.221 1 1 62 . 3 1 1 A 6 6 ASN CA C 48 53.047 52.908 0.139 1 1 63 . 3 1 1 A 6 6 ASN CB C 48 38.901 40.184 -1.283 1 1 64 . 3 1 1 A 6 6 ASN N N 48 123.230 126.811 -3.581 1 1 65 . 3 1 1 A 7 7 LEU H H 49 8.286 8.720 -0.434 1 1 66 . 3 1 1 A 7 7 LEU HA H 49 4.632 4.830 -0.198 1 1 76 . 3 1 1 A 7 7 LEU C C 49 175.162 175.599 -0.437 1 1 77 . 3 1 1 A 7 7 LEU CA C 49 53.047 51.820 1.227 1 1 78 . 3 1 1 A 7 7 LEU CB C 49 41.825 41.861 -0.036 1 1 82 . 3 1 1 A 7 7 LEU N N 49 124.491 122.333 2.158 1 1 83 . 3 1 1 A 8 8 PRO HA H 50 4.443 4.651 -0.208 1 1 90 . 3 1 1 A 8 8 PRO C C 50 176.734 175.592 1.142 1 1 91 . 3 1 1 A 8 8 PRO CA C 50 62.903 62.436 0.467 1 1 92 . 3 1 1 A 8 8 PRO CB C 50 31.839 33.306 -1.467 1 1 95 . 3 1 1 A 9 9 ALA H H 51 8.424 8.342 0.082 1 1 96 . 3 1 1 A 9 9 ALA HA H 51 4.330 4.845 -0.515 1 1 100 . 3 1 1 A 9 9 ALA C C 51 178.124 175.037 3.087 1 1 101 . 3 1 1 A 9 9 ALA CA C 51 52.578 51.443 1.135 1 1 102 . 3 1 1 A 9 9 ALA CB C 51 19.297 23.149 -3.852 1 1 103 . 3 1 1 A 9 9 ALA N N 51 124.364 120.671 3.693 1 1 104 . 3 1 1 A 10 10 SER H H 52 8.380 8.689 -0.309 1 1 105 . 3 1 1 A 10 10 SER HA H 52 4.223 4.843 -0.620 1 1 108 . 3 1 1 A 10 10 SER C C 52 174.982 172.837 2.145 1 1 109 . 3 1 1 A 10 10 SER CA C 52 58.672 56.836 1.836 1 1 110 . 3 1 1 A 10 10 SER CB C 52 63.829 63.592 0.237 1 1 111 . 3 1 1 A 10 10 SER N N 52 114.800 115.157 -0.357 1 1 112 . 3 1 1 A 11 11 THR H H 53 8.227 8.693 -0.466 1 1 113 . 3 1 1 A 11 11 THR HA H 53 4.478 5.213 -0.735 1 1 118 . 3 1 1 A 11 11 THR C C 53 174.612 173.411 1.201 1 1 119 . 3 1 1 A 11 11 THR CA C 53 61.922 60.291 1.631 1 1 120 . 3 1 1 A 11 11 THR CB C 53 69.922 69.801 0.121 1 1 122 . 3 1 1 A 11 11 THR N N 53 115.236 118.014 -2.778 1 1 123 . 3 1 1 A 12 12 SER H H 54 8.330 8.480 -0.150 1 1 124 . 3 1 1 A 12 12 SER HA H 54 4.559 5.124 -0.565 1 1 127 . 3 1 1 A 12 12 SER C C 54 174.299 172.812 1.487 1 1 128 . 3 1 1 A 12 12 SER CA C 54 58.204 57.708 0.496 1 1 129 . 3 1 1 A 12 12 SER CB C 54 63.891 66.877 -2.986 1 1 130 . 3 1 1 A 12 12 SER N N 54 117.770 121.735 -3.965 1 1 131 . 3 1 1 A 13 13 THR H H 55 8.274 8.678 -0.404 1 1 132 . 3 1 1 A 13 13 THR HA H 55 4.624 4.808 -0.184 1 1 137 . 3 1 1 A 13 13 THR C C 55 170.400 171.557 -1.157 1 1 138 . 3 1 1 A 13 13 THR CA C 55 60.079 58.545 1.534 1 1 139 . 3 1 1 A 13 13 THR CB C 55 69.922 72.264 -2.342 1 1 141 . 3 1 1 A 13 13 THR N N 55 118.865 115.853 3.012 1 1 142 . 3 1 1 A 14 14 PRO HA H 56 4.458 4.653 -0.195 1 1 149 . 3 1 1 A 14 14 PRO C C 56 176.748 176.728 0.020 1 1 150 . 3 1 1 A 14 14 PRO CA C 56 63.076 62.800 0.276 1 1 151 . 3 1 1 A 14 14 PRO CB C 56 32.043 32.470 -0.427 1 1 154 . 3 1 1 A 15 15 GLN H H 57 8.547 8.636 -0.089 1 1 155 . 3 1 1 A 15 15 GLN HA H 57 4.620 4.817 -0.197 1 1 160 . 3 1 1 A 15 15 GLN CA C 57 53.600 53.220 0.380 1 1 161 . 3 1 1 A 15 15 GLN CB C 57 29.141 28.489 0.652 1 1 163 . 3 1 1 A 15 15 GLN N N 57 122.041 120.379 1.662 1 1 165 . 3 1 1 A 16 16 PRO HA H 58 4.458 4.691 -0.233 1 1 172 . 3 1 1 A 16 16 PRO C C 58 176.620 176.155 0.465 1 1 173 . 3 1 1 A 16 16 PRO CA C 58 62.872 62.700 0.172 1 1 174 . 3 1 1 A 16 16 PRO CB C 58 32.111 32.274 -0.163 1 1 177 . 3 1 1 A 17 17 ARG H H 59 8.511 8.207 0.304 1 1 178 . 3 1 1 A 17 17 ARG HA H 59 4.643 4.774 -0.131 1 1 185 . 3 1 1 A 17 17 ARG CA C 59 53.985 53.634 0.351 1 1 186 . 3 1 1 A 17 17 ARG CB C 59 30.195 30.091 0.104 1 1 189 . 3 1 1 A 17 17 ARG N N 59 122.731 118.047 4.684 1 1 190 . 3 1 1 A 18 18 PRO HA H 60 4.458 4.603 -0.145 1 1 197 . 3 1 1 A 18 18 PRO C C 60 176.892 176.106 0.786 1 1 198 . 3 1 1 A 18 18 PRO CA C 60 62.940 62.382 0.558 1 1 199 . 3 1 1 A 18 18 PRO CB C 60 32.891 32.811 0.080 1 1 202 . 3 1 1 A 19 19 GLU H H 61 8.480 8.427 0.053 1 1 203 . 3 1 1 A 19 19 GLU HA H 61 4.391 4.653 -0.262 1 1 208 . 3 1 1 A 19 19 GLU C C 61 176.174 176.147 0.027 1 1 209 . 3 1 1 A 19 19 GLU CA C 61 54.922 56.086 -1.164 1 1 210 . 3 1 1 A 19 19 GLU CB C 61 29.141 30.427 -1.286 1 1 212 . 3 1 1 A 19 19 GLU N N 61 120.840 120.683 0.157 1 1 213 . 3 1 1 A 20 20 LYS H H 62 8.502 8.778 -0.276 1 1 214 . 3 1 1 A 20 20 LYS HA H 62 4.620 5.022 -0.402 1 1 223 . 3 1 1 A 20 20 LYS C C 62 171.420 173.519 -2.099 1 1 224 . 3 1 1 A 20 20 LYS CA C 62 54.827 53.750 1.077 1 1 225 . 3 1 1 A 20 20 LYS CB C 62 32.422 35.651 -3.229 1 1 229 . 3 1 1 A 20 20 LYS N N 62 125.117 123.399 1.718 1 1 230 . 3 1 1 A 21 21 PRO HA H 63 4.448 4.550 -0.102 1 1 237 . 3 1 1 A 21 21 PRO CA C 63 62.261 62.584 -0.323 1 1 238 . 3 1 1 A 21 21 PRO CB C 63 32.422 32.237 0.185 1 1 241 . 3 1 1 A 22 22 VAL H H 64 8.570 8.570 0.000 1 1 242 . 3 1 1 A 22 22 VAL HA H 64 4.097 4.412 -0.315 1 1 250 . 3 1 1 A 22 22 VAL C C 64 173.862 174.303 -0.441 1 1 251 . 3 1 1 A 22 22 VAL CA C 64 61.000 61.712 -0.712 1 1 252 . 3 1 1 A 22 22 VAL CB C 64 33.770 32.607 1.163 1 1 255 . 3 1 1 A 22 22 VAL N N 64 120.453 122.736 -2.283 1 1 256 . 3 1 1 A 23 23 TYR H H 65 8.600 8.984 -0.384 1 1 257 . 3 1 1 A 23 23 TYR HA H 65 5.207 5.449 -0.242 1 1 264 . 3 1 1 A 23 23 TYR C C 65 174.916 174.071 0.845 1 1 265 . 3 1 1 A 23 23 TYR CA C 65 57.210 56.090 1.120 1 1 266 . 3 1 1 A 23 23 TYR CB C 65 39.454 41.893 -2.439 1 1 267 . 3 1 1 A 23 23 TYR N N 65 124.580 128.542 -3.962 1 1 268 . 3 1 1 A 24 24 LEU H H 66 9.186 9.333 -0.147 1 1 269 . 3 1 1 A 24 24 LEU HA H 66 5.261 5.055 0.206 1 1 279 . 3 1 1 A 24 24 LEU C C 66 175.491 175.900 -0.409 1 1 280 . 3 1 1 A 24 24 LEU CA C 66 53.516 53.789 -0.273 1 1 281 . 3 1 1 A 24 24 LEU CB C 66 45.078 43.784 1.294 1 1 285 . 3 1 1 A 24 24 LEU N N 66 128.669 128.482 0.187 1 1 286 . 3 1 1 A 25 25 SER H H 67 9.300 8.724 0.576 1 1 287 . 3 1 1 A 25 25 SER HA H 67 5.637 5.170 0.467 1 1 290 . 3 1 1 A 25 25 SER C C 67 173.470 173.476 -0.006 1 1 291 . 3 1 1 A 25 25 SER CA C 67 56.784 57.637 -0.853 1 1 292 . 3 1 1 A 25 25 SER CB C 67 65.267 65.485 -0.218 1 1 293 . 3 1 1 A 25 25 SER N N 67 120.290 118.819 1.471 1 1 294 . 3 1 1 A 26 26 VAL H H 68 8.600 8.569 0.031 1 1 295 . 3 1 1 A 26 26 VAL HA H 68 4.847 5.142 -0.295 1 1 303 . 3 1 1 A 26 26 VAL C C 68 175.205 174.800 0.405 1 1 304 . 3 1 1 A 26 26 VAL CA C 68 60.950 59.710 1.240 1 1 305 . 3 1 1 A 26 26 VAL CB C 68 33.770 34.922 -1.152 1 1 308 . 3 1 1 A 26 26 VAL N N 68 123.723 124.712 -0.989 1 1 309 . 3 1 1 A 27 27 LYS H H 69 8.760 9.089 -0.329 1 1 310 . 3 1 1 A 27 27 LYS HA H 69 4.630 4.789 -0.159 1 1 319 . 3 1 1 A 27 27 LYS C C 69 176.007 176.070 -0.063 1 1 320 . 3 1 1 A 27 27 LYS CA C 69 62.400 54.282 8.118 1 1 321 . 3 1 1 A 27 27 LYS CB C 69 33.820 35.742 -1.922 1 1 325 . 3 1 1 A 27 27 LYS N N 69 126.000 122.924 3.076 1 1 326 . 3 1 1 A 28 28 ALA H H 70 8.728 8.705 0.023 1 1 327 . 3 1 1 A 28 28 ALA HA H 70 4.018 3.919 0.099 1 1 331 . 3 1 1 A 28 28 ALA C C 70 177.852 177.010 0.842 1 1 332 . 3 1 1 A 28 28 ALA CA C 70 53.985 54.276 -0.291 1 1 333 . 3 1 1 A 28 28 ALA CB C 70 19.297 17.875 1.422 1 1 334 . 3 1 1 A 28 28 ALA N N 70 124.480 121.530 2.950 1 1 335 . 3 1 1 A 29 29 ASP H H 71 8.256 9.005 -0.749 1 1 336 . 3 1 1 A 29 29 ASP HA H 71 4.497 4.449 0.048 1 1 339 . 3 1 1 A 29 29 ASP C C 71 176.455 176.097 0.358 1 1 340 . 3 1 1 A 29 29 ASP CA C 71 53.985 56.813 -2.828 1 1 341 . 3 1 1 A 29 29 ASP CB C 71 39.315 40.926 -1.611 1 1 342 . 3 1 1 A 29 29 ASP N N 71 118.722 119.180 -0.458 1 1 343 . 3 1 1 A 30 30 ASN H H 72 8.380 7.687 0.693 1 1 344 . 3 1 1 A 30 30 ASN HA H 72 4.374 5.121 -0.747 1 1 349 . 3 1 1 A 30 30 ASN C C 72 174.641 173.177 1.464 1 1 350 . 3 1 1 A 30 30 ASN CA C 72 54.453 52.815 1.638 1 1 351 . 3 1 1 A 30 30 ASN CB C 72 37.579 39.869 -2.290 1 1 352 . 3 1 1 A 30 30 ASN N N 72 113.000 114.088 -1.088 1 1 353 . 3 1 1 A 31 31 SER H H 73 7.710 8.455 -0.745 1 1 354 . 3 1 1 A 31 31 SER HA H 73 4.404 5.018 -0.614 1 1 357 . 3 1 1 A 31 31 SER C C 73 172.527 173.237 -0.710 1 1 358 . 3 1 1 A 31 31 SER CA C 73 58.672 57.309 1.363 1 1 359 . 3 1 1 A 31 31 SER CB C 73 63.303 66.357 -3.054 1 1 360 . 3 1 1 A 31 31 SER N N 73 115.080 119.521 -4.441 1 1 361 . 3 1 1 A 32 32 MET H H 74 8.065 8.617 -0.552 1 1 362 . 3 1 1 A 32 32 MET HA H 74 5.573 5.134 0.439 1 1 370 . 3 1 1 A 32 32 MET C C 74 174.974 175.776 -0.802 1 1 371 . 3 1 1 A 32 32 MET CA C 74 54.397 54.347 0.050 1 1 372 . 3 1 1 A 32 32 MET CB C 74 37.579 33.093 4.486 1 1 375 . 3 1 1 A 32 32 MET N N 74 121.780 125.651 -3.871 1 1 376 . 3 1 1 A 33 33 PHE H H 75 8.900 9.040 -0.140 1 1 377 . 3 1 1 A 33 33 PHE HA H 75 5.190 4.908 0.282 1 1 384 . 3 1 1 A 33 33 PHE C C 75 175.228 174.236 0.992 1 1 385 . 3 1 1 A 33 33 PHE CA C 75 56.797 57.870 -1.073 1 1 386 . 3 1 1 A 33 33 PHE CB C 75 44.141 41.115 3.026 1 1 387 . 3 1 1 A 33 33 PHE N N 75 118.800 123.174 -4.374 1 1 388 . 3 1 1 A 34 34 ILE H H 76 8.830 8.479 0.351 1 1 389 . 3 1 1 A 34 34 ILE HA H 76 4.851 4.640 0.211 1 1 399 . 3 1 1 A 34 34 ILE C C 76 177.606 176.841 0.765 1 1 400 . 3 1 1 A 34 34 ILE CA C 76 59.610 60.633 -1.023 1 1 401 . 3 1 1 A 34 34 ILE CB C 76 37.990 38.304 -0.314 1 1 405 . 3 1 1 A 34 34 ILE N N 76 121.330 128.558 -7.228 1 1 406 . 3 1 1 A 35 35 GLY H H 77 9.177 8.681 0.496 1 1 407 . 3 1 1 A 35 35 GLY HA2 H 77 4.139 3.845 0.294 1 1 408 . 3 1 1 A 35 35 GLY HA3 H 77 3.742 3.852 -0.110 1 1 409 . 3 1 1 A 35 35 GLY C C 77 174.757 175.202 -0.445 1 1 410 . 3 1 1 A 35 35 GLY CA C 77 47.422 46.736 0.686 1 1 411 . 3 1 1 A 35 35 GLY N N 77 118.894 111.714 7.180 1 1 412 . 3 1 1 A 36 36 ASN H H 78 9.170 8.994 0.176 1 1 413 . 3 1 1 A 36 36 ASN HA H 78 4.846 4.390 0.456 1 1 416 . 3 1 1 A 36 36 ASN C C 78 174.867 174.317 0.550 1 1 417 . 3 1 1 A 36 36 ASN CA C 78 52.578 54.586 -2.008 1 1 418 . 3 1 1 A 36 36 ASN CB C 78 38.985 38.226 0.759 1 1 419 . 3 1 1 A 36 36 ASN N N 78 125.494 122.758 2.736 1 1 420 . 3 1 1 A 37 37 ASP H H 79 8.590 8.346 0.244 1 1 421 . 3 1 1 A 37 37 ASP HA H 79 5.330 4.964 0.366 1 1 424 . 3 1 1 A 37 37 ASP C C 79 173.009 173.556 -0.547 1 1 425 . 3 1 1 A 37 37 ASP CA C 79 51.172 51.980 -0.808 1 1 426 . 3 1 1 A 37 37 ASP CB C 79 39.922 40.842 -0.920 1 1 427 . 3 1 1 A 37 37 ASP N N 79 121.409 118.526 2.883 1 1 428 . 3 1 1 A 38 38 PRO HA H 80 4.320 4.520 -0.200 1 1 435 . 3 1 1 A 38 38 PRO C C 80 176.862 176.139 0.723 1 1 436 . 3 1 1 A 38 38 PRO CA C 80 62.422 62.419 0.003 1 1 437 . 3 1 1 A 38 38 PRO CB C 80 32.890 31.947 0.943 1 1 440 . 3 1 1 A 39 39 VAL H H 81 8.001 8.007 -0.006 1 1 441 . 3 1 1 A 39 39 VAL HA H 81 4.522 4.811 -0.289 1 1 449 . 3 1 1 A 39 39 VAL C C 81 173.912 173.545 0.367 1 1 450 . 3 1 1 A 39 39 VAL CA C 81 59.141 59.501 -0.360 1 1 451 . 3 1 1 A 39 39 VAL CB C 81 36.172 36.325 -0.153 1 1 454 . 3 1 1 A 39 39 VAL N N 81 115.450 116.283 -0.833 1 1 455 . 3 1 1 A 40 40 THR H H 82 7.672 8.584 -0.912 1 1 456 . 3 1 1 A 40 40 THR HA H 82 4.746 4.739 0.007 1 1 461 . 3 1 1 A 40 40 THR C C 82 175.692 174.702 0.990 1 1 462 . 3 1 1 A 40 40 THR CA C 82 59.121 59.971 -0.850 1 1 463 . 3 1 1 A 40 40 THR CB C 82 72.735 71.736 0.999 1 1 465 . 3 1 1 A 40 40 THR N N 82 110.320 115.824 -5.504 1 1 466 . 3 1 1 A 41 41 ASP H H 83 9.370 9.059 0.311 1 1 467 . 3 1 1 A 41 41 ASP HA H 83 4.314 4.448 -0.134 1 1 470 . 3 1 1 A 41 41 ASP C C 83 176.943 177.630 -0.687 1 1 471 . 3 1 1 A 41 41 ASP CA C 83 56.797 56.385 0.412 1 1 472 . 3 1 1 A 41 41 ASP CB C 83 38.047 40.826 -2.779 1 1 473 . 3 1 1 A 41 41 ASP N N 83 118.710 124.021 -5.311 1 1 474 . 3 1 1 A 42 42 GLU H H 84 8.228 8.112 0.116 1 1 475 . 3 1 1 A 42 42 GLU HA H 84 4.336 4.246 0.090 1 1 480 . 3 1 1 A 42 42 GLU C C 84 177.827 177.699 0.128 1 1 481 . 3 1 1 A 42 42 GLU CA C 84 58.204 58.373 -0.169 1 1 482 . 3 1 1 A 42 42 GLU CB C 84 29.141 30.289 -1.148 1 1 484 . 3 1 1 A 42 42 GLU N N 84 115.213 118.889 -3.676 1 1 485 . 3 1 1 A 43 43 THR H H 85 7.510 7.890 -0.380 1 1 486 . 3 1 1 A 43 43 THR HA H 85 4.664 4.640 0.024 1 1 491 . 3 1 1 A 43 43 THR C C 85 175.799 175.430 0.369 1 1 492 . 3 1 1 A 43 43 THR CA C 85 61.395 61.422 -0.027 1 1 493 . 3 1 1 A 43 43 THR CB C 85 70.391 69.181 1.210 1 1 495 . 3 1 1 A 43 43 THR N N 85 108.315 114.725 -6.410 1 1 496 . 3 1 1 A 44 44 MET H H 86 7.900 7.951 -0.051 1 1 497 . 3 1 1 A 44 44 MET HA H 86 3.820 4.279 -0.459 1 1 505 . 3 1 1 A 44 44 MET C C 86 176.605 178.391 -1.786 1 1 506 . 3 1 1 A 44 44 MET CA C 86 60.547 58.041 2.506 1 1 507 . 3 1 1 A 44 44 MET CB C 86 32.422 32.177 0.245 1 1 510 . 3 1 1 A 44 44 MET N N 86 121.500 120.317 1.183 1 1 511 . 3 1 1 A 45 45 ILE H H 87 8.430 7.910 0.520 1 1 512 . 3 1 1 A 45 45 ILE HA H 87 3.686 3.785 -0.099 1 1 522 . 3 1 1 A 45 45 ILE C C 87 177.773 178.030 -0.257 1 1 523 . 3 1 1 A 45 45 ILE CA C 87 62.934 64.737 -1.803 1 1 524 . 3 1 1 A 45 45 ILE CB C 87 34.766 38.078 -3.312 1 1 528 . 3 1 1 A 45 45 ILE N N 87 117.970 120.076 -2.106 1 1 529 . 3 1 1 A 46 46 THR H H 88 8.070 8.182 -0.112 1 1 530 . 3 1 1 A 46 46 THR HA H 88 3.953 4.061 -0.108 1 1 535 . 3 1 1 A 46 46 THR C C 88 177.011 177.068 -0.057 1 1 536 . 3 1 1 A 46 46 THR CA C 88 66.640 65.456 1.184 1 1 537 . 3 1 1 A 46 46 THR CB C 88 68.000 68.143 -0.143 1 1 539 . 3 1 1 A 46 46 THR N N 88 116.920 112.443 4.477 1 1 540 . 3 1 1 A 47 47 ALA H H 89 7.710 8.054 -0.344 1 1 541 . 3 1 1 A 47 47 ALA HA H 89 4.240 4.259 -0.019 1 1 545 . 3 1 1 A 47 47 ALA C C 89 174.356 179.964 -5.608 1 1 546 . 3 1 1 A 47 47 ALA CA C 89 55.094 55.111 -0.017 1 1 547 . 3 1 1 A 47 47 ALA CB C 89 18.828 18.081 0.747 1 1 548 . 3 1 1 A 47 47 ALA N N 89 123.490 125.034 -1.544 1 1 549 . 3 1 1 A 48 48 LEU H H 90 8.570 8.053 0.517 1 1 550 . 3 1 1 A 48 48 LEU HA H 90 3.445 3.963 -0.518 1 1 560 . 3 1 1 A 48 48 LEU C C 90 178.088 179.504 -1.416 1 1 561 . 3 1 1 A 48 48 LEU CA C 90 67.110 58.214 8.896 1 1 562 . 3 1 1 A 48 48 LEU CB C 90 31.420 41.836 -10.416 1 1 566 . 3 1 1 A 48 48 LEU N N 90 119.800 119.346 0.454 1 1 567 . 3 1 1 A 49 49 ASN H H 91 8.979 8.764 0.215 1 1 568 . 3 1 1 A 49 49 ASN HA H 91 4.494 4.514 -0.020 1 1 571 . 3 1 1 A 49 49 ASN C C 91 178.227 178.116 0.111 1 1 572 . 3 1 1 A 49 49 ASN CA C 91 54.397 56.355 -1.958 1 1 573 . 3 1 1 A 49 49 ASN CB C 91 37.578 37.927 -0.349 1 1 574 . 3 1 1 A 49 49 ASN N N 91 117.500 117.556 -0.056 1 1 575 . 3 1 1 A 50 50 ALA H H 92 7.710 7.655 0.055 1 1 576 . 3 1 1 A 50 50 ALA HA H 92 4.232 4.041 0.191 1 1 580 . 3 1 1 A 50 50 ALA C C 92 180.155 179.843 0.312 1 1 581 . 3 1 1 A 50 50 ALA CA C 92 54.886 55.202 -0.316 1 1 582 . 3 1 1 A 50 50 ALA CB C 92 17.962 18.739 -0.777 1 1 583 . 3 1 1 A 50 50 ALA N N 92 120.900 123.119 -2.219 1 1 584 . 3 1 1 A 51 51 LEU H H 93 7.670 8.186 -0.516 1 1 585 . 3 1 1 A 51 51 LEU HA H 93 4.340 3.963 0.377 1 1 595 . 3 1 1 A 51 51 LEU C C 93 179.407 179.609 -0.202 1 1 596 . 3 1 1 A 51 51 LEU CA C 93 56.829 57.932 -1.103 1 1 597 . 3 1 1 A 51 51 LEU CB C 93 42.734 42.465 0.269 1 1 601 . 3 1 1 A 51 51 LEU N N 93 117.980 118.037 -0.057 1 1 602 . 3 1 1 A 52 52 THR H H 94 8.530 8.201 0.329 1 1 603 . 3 1 1 A 52 52 THR HA H 94 4.437 4.221 0.216 1 1 608 . 3 1 1 A 52 52 THR C C 94 177.112 174.940 2.172 1 1 609 . 3 1 1 A 52 52 THR CA C 94 61.485 63.500 -2.015 1 1 610 . 3 1 1 A 52 52 THR CB C 94 70.860 70.099 0.761 1 1 612 . 3 1 1 A 52 52 THR N N 94 107.010 108.969 -1.959 1 1 613 . 3 1 1 A 53 53 GLU H H 95 8.001 8.012 -0.011 1 1 614 . 3 1 1 A 53 53 GLU HA H 95 4.062 4.152 -0.090 1 1 619 . 3 1 1 A 53 53 GLU C C 95 176.199 175.805 0.394 1 1 620 . 3 1 1 A 53 53 GLU CA C 95 56.797 57.418 -0.621 1 1 621 . 3 1 1 A 53 53 GLU CB C 95 26.346 28.536 -2.190 1 1 623 . 3 1 1 A 53 53 GLU N N 95 117.560 121.416 -3.856 1 1 624 . 3 1 1 A 54 54 GLY H H 96 8.349 8.713 -0.364 1 1 625 . 3 1 1 A 54 54 GLY HA2 H 96 4.120 3.856 0.264 1 1 626 . 3 1 1 A 54 54 GLY HA3 H 96 3.520 3.870 -0.350 1 1 627 . 3 1 1 A 54 54 GLY C C 96 174.264 173.955 0.309 1 1 628 . 3 1 1 A 54 54 GLY CA C 96 44.600 46.684 -2.084 1 1 629 . 3 1 1 A 54 54 GLY N N 96 105.347 105.419 -0.072 1 1 630 . 3 1 1 A 55 55 LYS H H 97 7.400 7.623 -0.223 1 1 631 . 3 1 1 A 55 55 LYS HA H 97 4.386 4.471 -0.085 1 1 640 . 3 1 1 A 55 55 LYS C C 97 177.395 175.654 1.741 1 1 641 . 3 1 1 A 55 55 LYS CA C 97 56.797 55.254 1.543 1 1 642 . 3 1 1 A 55 55 LYS CB C 97 30.522 33.097 -2.575 1 1 646 . 3 1 1 A 55 55 LYS N N 97 120.080 120.287 -0.207 1 1 647 . 3 1 1 A 56 56 LYS H H 98 8.510 8.490 0.020 1 1 648 . 3 1 1 A 56 56 LYS HA H 98 3.940 4.375 -0.435 1 1 657 . 3 1 1 A 56 56 LYS C C 98 176.420 178.201 -1.781 1 1 658 . 3 1 1 A 56 56 LYS CA C 98 56.741 57.271 -0.530 1 1 659 . 3 1 1 A 56 56 LYS CB C 98 30.079 32.581 -2.502 1 1 663 . 3 1 1 A 56 56 LYS N N 98 126.202 125.001 1.201 1 1 664 . 3 1 1 A 57 57 ASP H H 99 8.510 8.111 0.399 1 1 665 . 3 1 1 A 57 57 ASP HA H 99 4.570 4.398 0.172 1 1 668 . 3 1 1 A 57 57 ASP C C 99 174.777 177.521 -2.744 1 1 669 . 3 1 1 A 57 57 ASP CA C 99 52.991 57.591 -4.600 1 1 670 . 3 1 1 A 57 57 ASP CB C 99 38.516 40.507 -1.991 1 1 671 . 3 1 1 A 57 57 ASP N N 99 116.900 119.246 -2.346 1 1 672 . 3 1 1 A 58 58 THR H H 100 7.400 7.688 -0.288 1 1 673 . 3 1 1 A 58 58 THR HA H 100 3.971 4.228 -0.257 1 1 678 . 3 1 1 A 58 58 THR C C 100 172.742 174.436 -1.694 1 1 679 . 3 1 1 A 58 58 THR CA C 100 63.360 64.318 -0.958 1 1 680 . 3 1 1 A 58 58 THR CB C 100 70.391 69.368 1.023 1 1 682 . 3 1 1 A 58 58 THR N N 100 117.350 115.527 1.823 1 1 683 . 3 1 1 A 59 59 THR H H 101 8.414 8.581 -0.167 1 1 684 . 3 1 1 A 59 59 THR HA H 101 4.174 4.663 -0.489 1 1 689 . 3 1 1 A 59 59 THR C C 101 172.505 174.218 -1.713 1 1 690 . 3 1 1 A 59 59 THR CA C 101 63.829 63.732 0.097 1 1 691 . 3 1 1 A 59 59 THR CB C 101 69.454 68.825 0.629 1 1 693 . 3 1 1 A 59 59 THR N N 101 123.260 121.942 1.318 1 1 694 . 3 1 1 A 60 60 ILE H H 102 8.190 8.797 -0.607 1 1 695 . 3 1 1 A 60 60 ILE HA H 102 4.399 5.168 -0.769 1 1 705 . 3 1 1 A 60 60 ILE C C 102 175.119 175.119 0.000 1 1 706 . 3 1 1 A 60 60 ILE CA C 102 58.204 60.258 -2.054 1 1 707 . 3 1 1 A 60 60 ILE CB C 102 38.047 40.045 -1.998 1 1 711 . 3 1 1 A 60 60 ILE N N 102 126.467 128.044 -1.577 1 1 712 . 3 1 1 A 61 61 PHE H H 103 8.900 8.871 0.029 1 1 713 . 3 1 1 A 61 61 PHE HA H 103 5.204 5.178 0.026 1 1 720 . 3 1 1 A 61 61 PHE C C 103 174.877 174.856 0.021 1 1 721 . 3 1 1 A 61 61 PHE CA C 103 57.266 56.368 0.898 1 1 722 . 3 1 1 A 61 61 PHE CB C 103 40.860 39.538 1.322 1 1 723 . 3 1 1 A 61 61 PHE N N 103 125.650 126.624 -0.974 1 1 724 . 3 1 1 A 62 62 PHE H H 104 9.110 8.840 0.270 1 1 725 . 3 1 1 A 62 62 PHE HA H 104 5.590 4.897 0.693 1 1 732 . 3 1 1 A 62 62 PHE C C 104 174.407 174.015 0.392 1 1 733 . 3 1 1 A 62 62 PHE CA C 104 54.922 56.774 -1.852 1 1 734 . 3 1 1 A 62 62 PHE CB C 104 41.300 40.017 1.283 1 1 735 . 3 1 1 A 62 62 PHE N N 104 123.447 124.753 -1.306 1 1 736 . 3 1 1 A 63 63 ARG H H 105 9.020 8.794 0.226 1 1 737 . 3 1 1 A 63 63 ARG HA H 105 4.830 4.888 -0.058 1 1 744 . 3 1 1 A 63 63 ARG C C 105 173.862 174.555 -0.693 1 1 745 . 3 1 1 A 63 63 ARG CA C 105 54.453 55.185 -0.732 1 1 746 . 3 1 1 A 63 63 ARG CB C 105 32.422 31.769 0.653 1 1 749 . 3 1 1 A 63 63 ARG N N 105 126.020 129.015 -2.995 1 1 750 . 3 1 1 A 64 64 ALA H H 106 8.640 8.772 -0.132 1 1 751 . 3 1 1 A 64 64 ALA HA H 106 5.223 5.019 0.204 1 1 755 . 3 1 1 A 64 64 ALA C C 106 176.565 176.822 -0.257 1 1 756 . 3 1 1 A 64 64 ALA CA C 106 50.235 50.330 -0.095 1 1 757 . 3 1 1 A 64 64 ALA CB C 106 22.110 20.491 1.619 1 1 758 . 3 1 1 A 64 64 ALA N N 106 126.540 129.907 -3.367 1 1 759 . 3 1 1 A 65 65 ASP H H 107 7.900 8.497 -0.597 1 1 760 . 3 1 1 A 65 65 ASP HA H 107 4.685 4.547 0.138 1 1 763 . 3 1 1 A 65 65 ASP C C 107 176.987 177.506 -0.519 1 1 764 . 3 1 1 A 65 65 ASP CA C 107 54.453 54.499 -0.046 1 1 765 . 3 1 1 A 65 65 ASP CB C 107 42.209 41.638 0.571 1 1 766 . 3 1 1 A 65 65 ASP N N 107 121.600 122.253 -0.653 1 1 767 . 3 1 1 A 66 66 LYS H H 108 8.700 8.856 -0.156 1 1 768 . 3 1 1 A 66 66 LYS HA H 108 4.221 4.082 0.139 1 1 777 . 3 1 1 A 66 66 LYS C C 108 177.007 177.321 -0.314 1 1 778 . 3 1 1 A 66 66 LYS CA C 108 58.682 58.938 -0.256 1 1 779 . 3 1 1 A 66 66 LYS CB C 108 32.422 31.970 0.452 1 1 783 . 3 1 1 A 66 66 LYS N N 108 120.740 122.439 -1.699 1 1 784 . 3 1 1 A 67 67 THR H H 109 8.035 7.680 0.355 1 1 785 . 3 1 1 A 67 67 THR HA H 109 4.270 4.464 -0.194 1 1 790 . 3 1 1 A 67 67 THR C C 109 175.031 173.343 1.688 1 1 791 . 3 1 1 A 67 67 THR CA C 109 62.422 61.405 1.017 1 1 792 . 3 1 1 A 67 67 THR CB C 109 68.985 69.006 -0.021 1 1 794 . 3 1 1 A 67 67 THR N N 109 108.086 106.461 1.625 1 1 795 . 3 1 1 A 68 68 VAL H H 110 7.470 7.315 0.155 1 1 796 . 3 1 1 A 68 68 VAL HA H 110 3.960 4.355 -0.395 1 1 804 . 3 1 1 A 68 68 VAL C C 110 175.691 174.622 1.069 1 1 805 . 3 1 1 A 68 68 VAL CA C 110 63.360 61.312 2.048 1 1 806 . 3 1 1 A 68 68 VAL CB C 110 32.422 34.194 -1.772 1 1 809 . 3 1 1 A 68 68 VAL N N 110 123.270 122.276 0.994 1 1 810 . 3 1 1 A 69 69 ASP H H 111 8.710 8.710 0.000 1 1 811 . 3 1 1 A 69 69 ASP HA H 111 4.645 5.121 -0.476 1 1 814 . 3 1 1 A 69 69 ASP C C 111 176.150 177.255 -1.105 1 1 815 . 3 1 1 A 69 69 ASP CA C 111 53.989 52.495 1.494 1 1 816 . 3 1 1 A 69 69 ASP CB C 111 41.328 43.845 -2.517 1 1 817 . 3 1 1 A 69 69 ASP N N 111 126.170 126.499 -0.329 1 1 818 . 3 1 1 A 70 70 TYR H H 112 8.840 9.019 -0.179 1 1 819 . 3 1 1 A 70 70 TYR HA H 112 4.056 4.164 -0.108 1 1 826 . 3 1 1 A 70 70 TYR C C 112 177.075 177.824 -0.749 1 1 827 . 3 1 1 A 70 70 TYR CA C 112 61.890 62.060 -0.170 1 1 828 . 3 1 1 A 70 70 TYR CB C 112 38.980 38.587 0.393 1 1 829 . 3 1 1 A 70 70 TYR N N 112 123.360 123.647 -0.287 1 1 830 . 3 1 1 A 71 71 GLU H H 113 8.550 8.191 0.359 1 1 831 . 3 1 1 A 71 71 GLU HA H 113 3.904 3.852 0.052 1 1 836 . 3 1 1 A 71 71 GLU C C 113 179.338 178.678 0.660 1 1 837 . 3 1 1 A 71 71 GLU CA C 113 59.610 58.918 0.692 1 1 838 . 3 1 1 A 71 71 GLU CB C 113 27.765 29.071 -1.306 1 1 840 . 3 1 1 A 71 71 GLU N N 113 116.730 119.110 -2.380 1 1 841 . 3 1 1 A 72 72 THR H H 114 7.780 7.867 -0.087 1 1 842 . 3 1 1 A 72 72 THR HA H 114 4.320 3.950 0.370 1 1 847 . 3 1 1 A 72 72 THR C C 114 175.987 176.206 -0.219 1 1 848 . 3 1 1 A 72 72 THR CA C 114 67.579 66.567 1.012 1 1 849 . 3 1 1 A 72 72 THR CB C 114 66.640 68.552 -1.912 1 1 851 . 3 1 1 A 72 72 THR N N 114 117.340 116.352 0.988 1 1 852 . 3 1 1 A 73 73 LEU H H 115 7.570 7.688 -0.118 1 1 853 . 3 1 1 A 73 73 LEU HA H 115 3.838 4.016 -0.178 1 1 863 . 3 1 1 A 73 73 LEU C C 115 178.670 178.540 0.130 1 1 864 . 3 1 1 A 73 73 LEU CA C 115 58.203 57.858 0.345 1 1 865 . 3 1 1 A 73 73 LEU CB C 115 40.860 41.181 -0.321 1 1 868 . 3 1 1 A 73 73 LEU N N 115 120.510 117.849 2.661 1 1 869 . 3 1 1 A 74 74 MET H H 116 8.280 7.596 0.684 1 1 870 . 3 1 1 A 74 74 MET HA H 116 4.100 4.059 0.041 1 1 878 . 3 1 1 A 74 74 MET C C 116 178.503 178.081 0.422 1 1 879 . 3 1 1 A 74 74 MET CA C 116 57.210 57.987 -0.777 1 1 880 . 3 1 1 A 74 74 MET CB C 116 32.400 31.723 0.677 1 1 883 . 3 1 1 A 74 74 MET N N 116 116.240 118.864 -2.624 1 1 884 . 3 1 1 A 75 75 LYS H H 117 7.755 7.543 0.212 1 1 885 . 3 1 1 A 75 75 LYS HA H 117 4.146 3.996 0.150 1 1 894 . 3 1 1 A 75 75 LYS C C 117 173.559 179.429 -5.870 1 1 895 . 3 1 1 A 75 75 LYS CA C 117 59.610 59.144 0.466 1 1 896 . 3 1 1 A 75 75 LYS CB C 117 31.495 32.437 -0.942 1 1 900 . 3 1 1 A 75 75 LYS N N 117 120.230 119.091 1.139 1 1 901 . 3 1 1 A 76 76 VAL H H 118 7.880 7.512 0.368 1 1 902 . 3 1 1 A 76 76 VAL HA H 118 3.598 3.836 -0.238 1 1 910 . 3 1 1 A 76 76 VAL C C 118 178.205 177.946 0.259 1 1 911 . 3 1 1 A 76 76 VAL CA C 118 66.641 65.062 1.579 1 1 912 . 3 1 1 A 76 76 VAL CB C 118 31.485 31.470 0.015 1 1 915 . 3 1 1 A 76 76 VAL N N 118 120.500 115.618 4.882 1 1 916 . 3 1 1 A 77 77 MET H H 119 8.262 8.035 0.227 1 1 917 . 3 1 1 A 77 77 MET HA H 119 3.904 3.993 -0.089 1 1 925 . 3 1 1 A 77 77 MET C C 119 178.200 177.647 0.553 1 1 926 . 3 1 1 A 77 77 MET CA C 119 59.610 58.120 1.490 1 1 927 . 3 1 1 A 77 77 MET CB C 119 32.422 31.566 0.856 1 1 930 . 3 1 1 A 77 77 MET N N 119 118.320 120.114 -1.794 1 1 931 . 3 1 1 A 78 78 ASP H H 120 8.720 7.830 0.890 1 1 932 . 3 1 1 A 78 78 ASP HA H 120 4.400 4.296 0.104 1 1 935 . 3 1 1 A 78 78 ASP C C 120 178.216 179.009 -0.793 1 1 936 . 3 1 1 A 78 78 ASP CA C 120 56.797 57.126 -0.329 1 1 937 . 3 1 1 A 78 78 ASP CB C 120 38.980 40.659 -1.679 1 1 938 . 3 1 1 A 78 78 ASP N N 120 117.800 119.166 -1.366 1 1 939 . 3 1 1 A 79 79 THR H H 121 8.040 7.813 0.227 1 1 940 . 3 1 1 A 79 79 THR HA H 121 3.939 3.998 -0.059 1 1 945 . 3 1 1 A 79 79 THR C C 121 176.582 177.318 -0.736 1 1 946 . 3 1 1 A 79 79 THR CA C 121 66.641 67.424 -0.783 1 1 947 . 3 1 1 A 79 79 THR CB C 121 68.516 68.908 -0.392 1 1 949 . 3 1 1 A 79 79 THR N N 121 118.470 117.033 1.437 1 1 950 . 3 1 1 A 80 80 LEU H H 122 7.931 8.174 -0.243 1 1 951 . 3 1 1 A 80 80 LEU HA H 122 4.136 4.152 -0.016 1 1 961 . 3 1 1 A 80 80 LEU C C 122 178.936 179.152 -0.216 1 1 962 . 3 1 1 A 80 80 LEU CA C 122 58.672 58.020 0.652 1 1 963 . 3 1 1 A 80 80 LEU CB C 122 41.328 41.153 0.175 1 1 967 . 3 1 1 A 80 80 LEU N N 122 121.676 118.593 3.083 1 1 968 . 3 1 1 A 81 81 HIS H H 123 8.825 7.822 1.003 1 1 969 . 3 1 1 A 81 81 HIS HA H 123 4.455 4.249 0.206 1 1 974 . 3 1 1 A 81 81 HIS C C 123 179.780 177.883 1.897 1 1 975 . 3 1 1 A 81 81 HIS CA C 123 57.732 59.685 -1.953 1 1 976 . 3 1 1 A 81 81 HIS CB C 123 28.672 29.941 -1.269 1 1 977 . 3 1 1 A 81 81 HIS N N 123 117.910 118.705 -0.795 1 1 978 . 3 1 1 A 82 82 GLN H H 124 8.740 7.818 0.922 1 1 979 . 3 1 1 A 82 82 GLN HA H 124 4.092 4.090 0.002 1 1 984 . 3 1 1 A 82 82 GLN C C 124 177.091 177.194 -0.103 1 1 985 . 3 1 1 A 82 82 GLN CA C 124 58.672 58.202 0.470 1 1 986 . 3 1 1 A 82 82 GLN CB C 124 28.204 28.176 0.028 1 1 988 . 3 1 1 A 82 82 GLN N N 124 120.420 116.928 3.492 1 1 989 . 3 1 1 A 83 83 ALA H H 125 7.330 7.460 -0.130 1 1 990 . 3 1 1 A 83 83 ALA HA H 125 4.495 4.333 0.162 1 1 994 . 3 1 1 A 83 83 ALA C C 125 176.371 177.929 -1.558 1 1 995 . 3 1 1 A 83 83 ALA CA C 125 52.110 51.656 0.454 1 1 996 . 3 1 1 A 83 83 ALA CB C 125 19.756 18.710 1.046 1 1 997 . 3 1 1 A 83 83 ALA N N 125 119.130 119.140 -0.010 1 1 998 . 3 1 1 A 84 84 GLY H H 126 7.780 8.135 -0.355 1 1 999 . 3 1 1 A 84 84 GLY HA2 H 126 4.111 3.813 0.298 1 1 1000 . 3 1 1 A 84 84 GLY HA3 H 126 3.505 3.897 -0.392 1 1 1001 . 3 1 1 A 84 84 GLY C C 126 173.562 173.810 -0.248 1 1 1002 . 3 1 1 A 84 84 GLY CA C 126 44.610 45.487 -0.877 1 1 1003 . 3 1 1 A 84 84 GLY N N 126 104.120 107.567 -3.447 1 1 1004 . 3 1 1 A 85 85 TYR H H 127 7.910 8.418 -0.508 1 1 1005 . 3 1 1 A 85 85 TYR HA H 127 4.551 4.217 0.334 1 1 1012 . 3 1 1 A 85 85 TYR C C 127 177.192 175.779 1.413 1 1 1013 . 3 1 1 A 85 85 TYR CA C 127 59.610 58.043 1.567 1 1 1014 . 3 1 1 A 85 85 TYR CB C 127 37.110 36.567 0.543 1 1 1015 . 3 1 1 A 85 85 TYR N N 127 120.310 120.818 -0.508 1 1 1016 . 3 1 1 A 86 86 LEU H H 128 7.835 8.266 -0.431 1 1 1017 . 3 1 1 A 86 86 LEU HA H 128 4.357 4.495 -0.138 1 1 1027 . 3 1 1 A 86 86 LEU C C 128 178.503 176.302 2.201 1 1 1028 . 3 1 1 A 86 86 LEU CA C 128 54.456 54.286 0.170 1 1 1029 . 3 1 1 A 86 86 LEU CB C 128 43.203 42.393 0.810 1 1 1033 . 3 1 1 A 86 86 LEU N N 128 120.100 121.385 -1.285 1 1 1034 . 3 1 1 A 87 87 LYS H H 129 9.330 7.840 1.490 1 1 1035 . 3 1 1 A 87 87 LYS HA H 129 4.512 4.593 -0.081 1 1 1044 . 3 1 1 A 87 87 LYS C C 129 173.251 174.928 -1.677 1 1 1045 . 3 1 1 A 87 87 LYS CA C 129 54.922 55.474 -0.552 1 1 1046 . 3 1 1 A 87 87 LYS CB C 129 31.000 33.414 -2.414 1 1 1050 . 3 1 1 A 87 87 LYS N N 129 125.180 118.580 6.600 1 1 1051 . 3 1 1 A 88 88 ILE H H 130 7.589 8.465 -0.876 1 1 1052 . 3 1 1 A 88 88 ILE HA H 130 5.015 4.819 0.196 1 1 1062 . 3 1 1 A 88 88 ILE C C 130 176.481 175.791 0.690 1 1 1063 . 3 1 1 A 88 88 ILE CA C 130 58.672 59.724 -1.052 1 1 1064 . 3 1 1 A 88 88 ILE CB C 130 40.391 38.715 1.676 1 1 1068 . 3 1 1 A 88 88 ILE N N 130 122.487 125.631 -3.144 1 1 1069 . 3 1 1 A 89 89 GLY H H 131 8.960 8.769 0.191 1 1 1070 . 3 1 1 A 89 89 GLY HA2 H 131 4.543 3.231 1.312 1 1 1071 . 3 1 1 A 89 89 GLY HA3 H 131 3.488 3.756 -0.268 1 1 1072 . 3 1 1 A 89 89 GLY C C 131 171.936 172.122 -0.186 1 1 1073 . 3 1 1 A 89 89 GLY CA C 131 44.610 44.841 -0.231 1 1 1074 . 3 1 1 A 89 89 GLY N N 131 115.300 115.724 -0.424 1 1 1075 . 3 1 1 A 90 90 LEU H H 132 8.610 8.922 -0.312 1 1 1076 . 3 1 1 A 90 90 LEU HA H 132 5.061 4.709 0.352 1 1 1086 . 3 1 1 A 90 90 LEU C C 132 177.246 176.600 0.646 1 1 1087 . 3 1 1 A 90 90 LEU CA C 132 54.453 53.543 0.910 1 1 1088 . 3 1 1 A 90 90 LEU CB C 132 42.735 41.900 0.835 1 1 1092 . 3 1 1 A 90 90 LEU N N 132 124.560 124.310 0.250 1 1 1093 . 3 1 1 A 91 91 VAL H H 133 8.630 8.501 0.129 1 1 1094 . 3 1 1 A 91 91 VAL HA H 133 4.299 3.969 0.330 1 1 1102 . 3 1 1 A 91 91 VAL C C 133 176.296 177.249 -0.953 1 1 1103 . 3 1 1 A 91 91 VAL CA C 133 61.953 63.625 -1.672 1 1 1104 . 3 1 1 A 91 91 VAL CB C 133 33.360 31.792 1.568 1 1 1107 . 3 1 1 A 91 91 VAL N N 133 123.280 126.754 -3.474 1 1 1108 . 3 1 1 A 92 92 GLY H H 134 8.620 9.176 -0.556 1 1 1109 . 3 1 1 A 92 92 GLY HA2 H 134 4.154 4.036 0.118 1 1 1110 . 3 1 1 A 92 92 GLY HA3 H 134 4.007 4.045 -0.038 1 1 1111 . 3 1 1 A 92 92 GLY C C 134 174.157 174.692 -0.535 1 1 1112 . 3 1 1 A 92 92 GLY CA C 134 45.097 46.669 -1.572 1 1 1113 . 3 1 1 A 92 92 GLY N N 134 112.500 116.801 -4.301 1 1 1114 . 3 1 1 A 93 93 GLU H H 135 8.278 8.266 0.012 1 1 1115 . 3 1 1 A 93 93 GLU HA H 135 4.387 4.634 -0.247 1 1 1120 . 3 1 1 A 93 93 GLU C C 135 176.500 175.367 1.133 1 1 1121 . 3 1 1 A 93 93 GLU CA C 135 56.797 55.577 1.220 1 1 1122 . 3 1 1 A 93 93 GLU CB C 135 29.141 29.178 -0.037 1 1 1124 . 3 1 1 A 93 93 GLU N N 135 119.460 119.378 0.082 1 1 1125 . 3 1 1 A 94 94 GLU H H 136 8.680 7.833 0.847 1 1 1126 . 3 1 1 A 94 94 GLU HA H 136 4.387 4.638 -0.251 1 1 1131 . 3 1 1 A 94 94 GLU C C 136 176.970 174.730 2.240 1 1 1132 . 3 1 1 A 94 94 GLU CA C 136 56.797 55.721 1.076 1 1 1133 . 3 1 1 A 94 94 GLU CB C 136 29.141 29.806 -0.665 1 1 1135 . 3 1 1 A 94 94 GLU N N 136 121.740 122.886 -1.146 1 1 1136 . 3 1 1 A 95 95 THR H H 137 8.221 8.480 -0.259 1 1 1137 . 3 1 1 A 95 95 THR HA H 137 4.228 5.097 -0.869 1 1 1142 . 3 1 1 A 95 95 THR C C 137 174.880 173.730 1.150 1 1 1143 . 3 1 1 A 95 95 THR CA C 137 62.422 60.886 1.536 1 1 1144 . 3 1 1 A 95 95 THR CB C 137 69.454 71.170 -1.716 1 1 1146 . 3 1 1 A 95 95 THR N N 137 115.380 118.952 -3.572 1 1 1147 . 3 1 1 A 96 96 ALA H H 138 8.311 8.574 -0.263 1 1 1148 . 3 1 1 A 96 96 ALA HA H 138 4.233 5.171 -0.938 1 1 1152 . 3 1 1 A 96 96 ALA C C 138 178.469 175.749 2.720 1 1 1153 . 3 1 1 A 96 96 ALA CA C 138 53.516 51.410 2.106 1 1 1154 . 3 1 1 A 96 96 ALA CB C 138 18.828 22.800 -3.972 1 1 1155 . 3 1 1 A 96 96 ALA N N 138 125.688 124.345 1.343 1 1 1156 . 3 1 1 A 97 97 LYS H H 139 8.210 8.639 -0.429 1 1 1157 . 3 1 1 A 97 97 LYS HA H 139 4.163 5.071 -0.908 1 1 1166 . 3 1 1 A 97 97 LYS C C 139 177.154 174.326 2.828 1 1 1167 . 3 1 1 A 97 97 LYS CA C 139 57.265 55.225 2.040 1 1 1168 . 3 1 1 A 97 97 LYS CB C 139 32.891 36.371 -3.480 1 1 1172 . 3 1 1 A 97 97 LYS N N 139 120.110 118.511 1.599 1 1 1173 . 3 1 1 A 98 98 ALA H H 140 8.170 8.717 -0.547 1 1 1174 . 3 1 1 A 98 98 ALA HA H 140 4.209 5.214 -1.005 1 1 1178 . 3 1 1 A 98 98 ALA C C 140 178.469 175.520 2.949 1 1 1179 . 3 1 1 A 98 98 ALA CA C 140 53.516 50.647 2.869 1 1 1180 . 3 1 1 A 98 98 ALA CB C 140 18.828 24.243 -5.415 1 1 1181 . 3 1 1 A 98 98 ALA N N 140 124.210 122.262 1.948 1 1 1 . 4 1 1 A 2 2 ASP H H 44 8.930 8.239 0.691 1 1 2 . 4 1 1 A 2 2 ASP HA H 44 4.860 4.951 -0.091 1 1 5 . 4 1 1 A 2 2 ASP C C 44 175.278 173.699 1.579 1 1 6 . 4 1 1 A 2 2 ASP CA C 44 53.516 53.162 0.354 1 1 7 . 4 1 1 A 2 2 ASP CB C 44 39.397 44.263 -4.866 1 1 8 . 4 1 1 A 2 2 ASP N N 44 122.920 122.444 0.476 1 1 9 . 4 1 1 A 3 3 VAL H H 45 8.329 8.775 -0.446 1 1 10 . 4 1 1 A 3 3 VAL HA H 45 4.120 5.030 -0.910 1 1 18 . 4 1 1 A 3 3 VAL C C 45 175.938 174.132 1.806 1 1 19 . 4 1 1 A 3 3 VAL CA C 45 62.422 59.728 2.694 1 1 20 . 4 1 1 A 3 3 VAL CB C 45 32.300 34.314 -2.014 1 1 23 . 4 1 1 A 3 3 VAL N N 45 121.541 120.092 1.449 1 1 24 . 4 1 1 A 4 4 LYS H H 46 8.400 8.600 -0.200 1 1 25 . 4 1 1 A 4 4 LYS HA H 46 4.387 4.895 -0.508 1 1 34 . 4 1 1 A 4 4 LYS C C 46 176.333 174.403 1.930 1 1 35 . 4 1 1 A 4 4 LYS CA C 46 56.270 55.283 0.987 1 1 36 . 4 1 1 A 4 4 LYS CB C 46 32.874 36.071 -3.197 1 1 40 . 4 1 1 A 4 4 LYS N N 46 125.410 127.731 -2.321 1 1 42 . 4 1 1 A 5 5 VAL H H 47 8.190 8.898 -0.708 1 1 43 . 4 1 1 A 5 5 VAL HA H 47 4.118 4.700 -0.582 1 1 51 . 4 1 1 A 5 5 VAL C C 47 175.567 174.742 0.825 1 1 52 . 4 1 1 A 5 5 VAL CA C 47 61.954 60.287 1.667 1 1 53 . 4 1 1 A 5 5 VAL CB C 47 32.443 35.331 -2.888 1 1 56 . 4 1 1 A 5 5 VAL N N 47 121.672 125.803 -4.131 1 1 57 . 4 1 1 A 6 6 ASN H H 48 8.571 8.882 -0.311 1 1 58 . 4 1 1 A 6 6 ASN HA H 48 4.750 4.855 -0.105 1 1 61 . 4 1 1 A 6 6 ASN C C 48 174.566 176.099 -1.533 1 1 62 . 4 1 1 A 6 6 ASN CA C 48 53.047 52.714 0.333 1 1 63 . 4 1 1 A 6 6 ASN CB C 48 38.901 39.941 -1.040 1 1 64 . 4 1 1 A 6 6 ASN N N 48 123.230 122.959 0.271 1 1 65 . 4 1 1 A 7 7 LEU H H 49 8.286 8.896 -0.610 1 1 66 . 4 1 1 A 7 7 LEU HA H 49 4.632 3.945 0.687 1 1 76 . 4 1 1 A 7 7 LEU C C 49 175.162 175.442 -0.280 1 1 77 . 4 1 1 A 7 7 LEU CA C 49 53.047 55.635 -2.588 1 1 78 . 4 1 1 A 7 7 LEU CB C 49 41.825 40.766 1.059 1 1 82 . 4 1 1 A 7 7 LEU N N 49 124.491 123.921 0.570 1 1 83 . 4 1 1 A 8 8 PRO HA H 50 4.443 4.386 0.057 1 1 90 . 4 1 1 A 8 8 PRO C C 50 176.734 176.976 -0.242 1 1 91 . 4 1 1 A 8 8 PRO CA C 50 62.903 63.617 -0.714 1 1 92 . 4 1 1 A 8 8 PRO CB C 50 31.839 32.189 -0.350 1 1 95 . 4 1 1 A 9 9 ALA H H 51 8.424 8.540 -0.116 1 1 96 . 4 1 1 A 9 9 ALA HA H 51 4.330 3.858 0.472 1 1 100 . 4 1 1 A 9 9 ALA C C 51 178.124 176.771 1.353 1 1 101 . 4 1 1 A 9 9 ALA CA C 51 52.578 52.834 -0.256 1 1 102 . 4 1 1 A 9 9 ALA CB C 51 19.297 17.691 1.606 1 1 103 . 4 1 1 A 9 9 ALA N N 51 124.364 120.803 3.561 1 1 104 . 4 1 1 A 10 10 SER H H 52 8.380 8.669 -0.289 1 1 105 . 4 1 1 A 10 10 SER HA H 52 4.223 4.699 -0.476 1 1 108 . 4 1 1 A 10 10 SER C C 52 174.982 172.885 2.097 1 1 109 . 4 1 1 A 10 10 SER CA C 52 58.672 57.460 1.212 1 1 110 . 4 1 1 A 10 10 SER CB C 52 63.829 61.953 1.876 1 1 111 . 4 1 1 A 10 10 SER N N 52 114.800 116.942 -2.142 1 1 112 . 4 1 1 A 11 11 THR H H 53 8.227 7.831 0.396 1 1 113 . 4 1 1 A 11 11 THR HA H 53 4.478 4.973 -0.495 1 1 118 . 4 1 1 A 11 11 THR C C 53 174.612 173.108 1.504 1 1 119 . 4 1 1 A 11 11 THR CA C 53 61.922 60.131 1.791 1 1 120 . 4 1 1 A 11 11 THR CB C 53 69.922 71.891 -1.969 1 1 122 . 4 1 1 A 11 11 THR N N 53 115.236 117.843 -2.607 1 1 123 . 4 1 1 A 12 12 SER H H 54 8.330 8.773 -0.443 1 1 124 . 4 1 1 A 12 12 SER HA H 54 4.559 4.779 -0.220 1 1 127 . 4 1 1 A 12 12 SER C C 54 174.299 174.611 -0.312 1 1 128 . 4 1 1 A 12 12 SER CA C 54 58.204 58.628 -0.424 1 1 129 . 4 1 1 A 12 12 SER CB C 54 63.891 63.702 0.189 1 1 130 . 4 1 1 A 12 12 SER N N 54 117.770 121.748 -3.978 1 1 131 . 4 1 1 A 13 13 THR H H 55 8.274 8.518 -0.244 1 1 132 . 4 1 1 A 13 13 THR HA H 55 4.624 4.918 -0.294 1 1 137 . 4 1 1 A 13 13 THR C C 55 170.400 172.845 -2.445 1 1 138 . 4 1 1 A 13 13 THR CA C 55 60.079 59.586 0.493 1 1 139 . 4 1 1 A 13 13 THR CB C 55 69.922 69.264 0.658 1 1 141 . 4 1 1 A 13 13 THR N N 55 118.865 116.218 2.647 1 1 142 . 4 1 1 A 14 14 PRO HA H 56 4.458 4.704 -0.246 1 1 149 . 4 1 1 A 14 14 PRO C C 56 176.748 175.540 1.208 1 1 150 . 4 1 1 A 14 14 PRO CA C 56 63.076 62.927 0.149 1 1 151 . 4 1 1 A 14 14 PRO CB C 56 32.043 31.735 0.308 1 1 154 . 4 1 1 A 15 15 GLN H H 57 8.547 8.682 -0.135 1 1 155 . 4 1 1 A 15 15 GLN HA H 57 4.620 4.795 -0.175 1 1 160 . 4 1 1 A 15 15 GLN CA C 57 53.600 53.208 0.392 1 1 161 . 4 1 1 A 15 15 GLN CB C 57 29.141 29.224 -0.083 1 1 163 . 4 1 1 A 15 15 GLN N N 57 122.041 123.505 -1.464 1 1 165 . 4 1 1 A 16 16 PRO HA H 58 4.458 4.721 -0.263 1 1 172 . 4 1 1 A 16 16 PRO C C 58 176.620 175.971 0.649 1 1 173 . 4 1 1 A 16 16 PRO CA C 58 62.872 62.826 0.046 1 1 174 . 4 1 1 A 16 16 PRO CB C 58 32.111 33.595 -1.484 1 1 177 . 4 1 1 A 17 17 ARG H H 59 8.511 8.408 0.103 1 1 178 . 4 1 1 A 17 17 ARG HA H 59 4.643 4.886 -0.243 1 1 185 . 4 1 1 A 17 17 ARG CA C 59 53.985 53.647 0.338 1 1 186 . 4 1 1 A 17 17 ARG CB C 59 30.195 31.115 -0.920 1 1 189 . 4 1 1 A 17 17 ARG N N 59 122.731 120.567 2.164 1 1 190 . 4 1 1 A 18 18 PRO HA H 60 4.458 4.585 -0.127 1 1 197 . 4 1 1 A 18 18 PRO C C 60 176.892 176.195 0.697 1 1 198 . 4 1 1 A 18 18 PRO CA C 60 62.940 62.496 0.444 1 1 199 . 4 1 1 A 18 18 PRO CB C 60 32.891 32.584 0.307 1 1 202 . 4 1 1 A 19 19 GLU H H 61 8.480 8.558 -0.078 1 1 203 . 4 1 1 A 19 19 GLU HA H 61 4.391 4.838 -0.447 1 1 208 . 4 1 1 A 19 19 GLU C C 61 176.174 176.060 0.114 1 1 209 . 4 1 1 A 19 19 GLU CA C 61 54.922 55.533 -0.611 1 1 210 . 4 1 1 A 19 19 GLU CB C 61 29.141 32.126 -2.985 1 1 212 . 4 1 1 A 19 19 GLU N N 61 120.840 120.701 0.139 1 1 213 . 4 1 1 A 20 20 LYS H H 62 8.502 8.996 -0.494 1 1 214 . 4 1 1 A 20 20 LYS HA H 62 4.620 4.995 -0.375 1 1 223 . 4 1 1 A 20 20 LYS C C 62 171.420 173.779 -2.359 1 1 224 . 4 1 1 A 20 20 LYS CA C 62 54.827 53.789 1.038 1 1 225 . 4 1 1 A 20 20 LYS CB C 62 32.422 35.735 -3.313 1 1 229 . 4 1 1 A 20 20 LYS N N 62 125.117 118.482 6.635 1 1 230 . 4 1 1 A 21 21 PRO HA H 63 4.448 4.525 -0.077 1 1 237 . 4 1 1 A 21 21 PRO CA C 63 62.261 62.469 -0.208 1 1 238 . 4 1 1 A 21 21 PRO CB C 63 32.422 32.344 0.078 1 1 241 . 4 1 1 A 22 22 VAL H H 64 8.570 8.535 0.035 1 1 242 . 4 1 1 A 22 22 VAL HA H 64 4.097 4.395 -0.298 1 1 250 . 4 1 1 A 22 22 VAL C C 64 173.862 174.440 -0.578 1 1 251 . 4 1 1 A 22 22 VAL CA C 64 61.000 61.575 -0.575 1 1 252 . 4 1 1 A 22 22 VAL CB C 64 33.770 32.645 1.125 1 1 255 . 4 1 1 A 22 22 VAL N N 64 120.453 121.714 -1.261 1 1 256 . 4 1 1 A 23 23 TYR H H 65 8.600 9.128 -0.528 1 1 257 . 4 1 1 A 23 23 TYR HA H 65 5.207 5.479 -0.272 1 1 264 . 4 1 1 A 23 23 TYR C C 65 174.916 174.034 0.882 1 1 265 . 4 1 1 A 23 23 TYR CA C 65 57.210 56.092 1.118 1 1 266 . 4 1 1 A 23 23 TYR CB C 65 39.454 41.844 -2.390 1 1 267 . 4 1 1 A 23 23 TYR N N 65 124.580 128.711 -4.131 1 1 268 . 4 1 1 A 24 24 LEU H H 66 9.186 9.500 -0.314 1 1 269 . 4 1 1 A 24 24 LEU HA H 66 5.261 5.323 -0.062 1 1 279 . 4 1 1 A 24 24 LEU C C 66 175.491 176.316 -0.825 1 1 280 . 4 1 1 A 24 24 LEU CA C 66 53.516 53.907 -0.391 1 1 281 . 4 1 1 A 24 24 LEU CB C 66 45.078 44.320 0.758 1 1 285 . 4 1 1 A 24 24 LEU N N 66 128.669 127.802 0.867 1 1 286 . 4 1 1 A 25 25 SER H H 67 9.300 9.031 0.269 1 1 287 . 4 1 1 A 25 25 SER HA H 67 5.637 5.327 0.310 1 1 290 . 4 1 1 A 25 25 SER C C 67 173.470 173.710 -0.240 1 1 291 . 4 1 1 A 25 25 SER CA C 67 56.784 57.742 -0.958 1 1 292 . 4 1 1 A 25 25 SER CB C 67 65.267 65.288 -0.021 1 1 293 . 4 1 1 A 25 25 SER N N 67 120.290 121.773 -1.483 1 1 294 . 4 1 1 A 26 26 VAL H H 68 8.600 8.838 -0.238 1 1 295 . 4 1 1 A 26 26 VAL HA H 68 4.847 5.119 -0.272 1 1 303 . 4 1 1 A 26 26 VAL C C 68 175.205 174.437 0.768 1 1 304 . 4 1 1 A 26 26 VAL CA C 68 60.950 59.537 1.413 1 1 305 . 4 1 1 A 26 26 VAL CB C 68 33.770 34.857 -1.087 1 1 308 . 4 1 1 A 26 26 VAL N N 68 123.723 124.546 -0.823 1 1 309 . 4 1 1 A 27 27 LYS H H 69 8.760 8.374 0.386 1 1 310 . 4 1 1 A 27 27 LYS HA H 69 4.630 4.865 -0.235 1 1 319 . 4 1 1 A 27 27 LYS C C 69 176.007 174.922 1.085 1 1 320 . 4 1 1 A 27 27 LYS CA C 69 62.400 55.002 7.398 1 1 321 . 4 1 1 A 27 27 LYS CB C 69 33.820 34.975 -1.155 1 1 325 . 4 1 1 A 27 27 LYS N N 69 126.000 120.982 5.018 1 1 326 . 4 1 1 A 28 28 ALA H H 70 8.728 9.219 -0.491 1 1 327 . 4 1 1 A 28 28 ALA HA H 70 4.018 3.951 0.067 1 1 331 . 4 1 1 A 28 28 ALA C C 70 177.852 176.314 1.538 1 1 332 . 4 1 1 A 28 28 ALA CA C 70 53.985 53.413 0.572 1 1 333 . 4 1 1 A 28 28 ALA CB C 70 19.297 17.589 1.708 1 1 334 . 4 1 1 A 28 28 ALA N N 70 124.480 121.266 3.214 1 1 335 . 4 1 1 A 29 29 ASP H H 71 8.256 8.593 -0.337 1 1 336 . 4 1 1 A 29 29 ASP HA H 71 4.497 4.339 0.158 1 1 339 . 4 1 1 A 29 29 ASP C C 71 176.455 175.300 1.155 1 1 340 . 4 1 1 A 29 29 ASP CA C 71 53.985 56.131 -2.146 1 1 341 . 4 1 1 A 29 29 ASP CB C 71 39.315 39.844 -0.529 1 1 342 . 4 1 1 A 29 29 ASP N N 71 118.722 110.619 8.103 1 1 343 . 4 1 1 A 30 30 ASN H H 72 8.380 8.069 0.311 1 1 344 . 4 1 1 A 30 30 ASN HA H 72 4.374 5.051 -0.677 1 1 349 . 4 1 1 A 30 30 ASN C C 72 174.641 174.438 0.203 1 1 350 . 4 1 1 A 30 30 ASN CA C 72 54.453 52.152 2.301 1 1 351 . 4 1 1 A 30 30 ASN CB C 72 37.579 38.460 -0.881 1 1 352 . 4 1 1 A 30 30 ASN N N 72 113.000 112.631 0.369 1 1 353 . 4 1 1 A 31 31 SER H H 73 7.710 8.143 -0.433 1 1 354 . 4 1 1 A 31 31 SER HA H 73 4.404 5.101 -0.697 1 1 357 . 4 1 1 A 31 31 SER C C 73 172.527 173.821 -1.294 1 1 358 . 4 1 1 A 31 31 SER CA C 73 58.672 57.896 0.776 1 1 359 . 4 1 1 A 31 31 SER CB C 73 63.303 63.942 -0.639 1 1 360 . 4 1 1 A 31 31 SER N N 73 115.080 116.782 -1.702 1 1 361 . 4 1 1 A 32 32 MET H H 74 8.065 8.554 -0.489 1 1 362 . 4 1 1 A 32 32 MET HA H 74 5.573 4.954 0.619 1 1 370 . 4 1 1 A 32 32 MET C C 74 174.974 175.752 -0.778 1 1 371 . 4 1 1 A 32 32 MET CA C 74 54.397 54.991 -0.594 1 1 372 . 4 1 1 A 32 32 MET CB C 74 37.579 32.244 5.335 1 1 375 . 4 1 1 A 32 32 MET N N 74 121.780 125.732 -3.952 1 1 376 . 4 1 1 A 33 33 PHE H H 75 8.900 9.188 -0.288 1 1 377 . 4 1 1 A 33 33 PHE HA H 75 5.190 4.881 0.309 1 1 384 . 4 1 1 A 33 33 PHE C C 75 175.228 174.595 0.633 1 1 385 . 4 1 1 A 33 33 PHE CA C 75 56.797 57.908 -1.111 1 1 386 . 4 1 1 A 33 33 PHE CB C 75 44.141 41.005 3.136 1 1 387 . 4 1 1 A 33 33 PHE N N 75 118.800 123.269 -4.469 1 1 388 . 4 1 1 A 34 34 ILE H H 76 8.830 8.454 0.376 1 1 389 . 4 1 1 A 34 34 ILE HA H 76 4.851 4.257 0.594 1 1 399 . 4 1 1 A 34 34 ILE C C 76 177.606 178.352 -0.746 1 1 400 . 4 1 1 A 34 34 ILE CA C 76 59.610 61.528 -1.918 1 1 401 . 4 1 1 A 34 34 ILE CB C 76 37.990 38.179 -0.189 1 1 405 . 4 1 1 A 34 34 ILE N N 76 121.330 128.217 -6.887 1 1 406 . 4 1 1 A 35 35 GLY H H 77 9.177 8.676 0.501 1 1 407 . 4 1 1 A 35 35 GLY HA2 H 77 4.139 3.820 0.319 1 1 408 . 4 1 1 A 35 35 GLY HA3 H 77 3.742 3.841 -0.099 1 1 409 . 4 1 1 A 35 35 GLY C C 77 174.757 175.074 -0.317 1 1 410 . 4 1 1 A 35 35 GLY CA C 77 47.422 47.312 0.110 1 1 411 . 4 1 1 A 35 35 GLY N N 77 118.894 113.805 5.089 1 1 412 . 4 1 1 A 36 36 ASN H H 78 9.170 7.979 1.191 1 1 413 . 4 1 1 A 36 36 ASN HA H 78 4.846 5.050 -0.204 1 1 416 . 4 1 1 A 36 36 ASN C C 78 174.867 173.750 1.117 1 1 417 . 4 1 1 A 36 36 ASN CA C 78 52.578 52.095 0.483 1 1 418 . 4 1 1 A 36 36 ASN CB C 78 38.985 39.154 -0.169 1 1 419 . 4 1 1 A 36 36 ASN N N 78 125.494 117.895 7.599 1 1 420 . 4 1 1 A 37 37 ASP H H 79 8.590 7.668 0.922 1 1 421 . 4 1 1 A 37 37 ASP HA H 79 5.330 4.956 0.374 1 1 424 . 4 1 1 A 37 37 ASP C C 79 173.009 173.449 -0.440 1 1 425 . 4 1 1 A 37 37 ASP CA C 79 51.172 52.340 -1.168 1 1 426 . 4 1 1 A 37 37 ASP CB C 79 39.922 41.111 -1.189 1 1 427 . 4 1 1 A 37 37 ASP N N 79 121.409 122.527 -1.118 1 1 428 . 4 1 1 A 38 38 PRO HA H 80 4.320 4.377 -0.057 1 1 435 . 4 1 1 A 38 38 PRO C C 80 176.862 176.201 0.661 1 1 436 . 4 1 1 A 38 38 PRO CA C 80 62.422 62.262 0.160 1 1 437 . 4 1 1 A 38 38 PRO CB C 80 32.890 31.498 1.392 1 1 440 . 4 1 1 A 39 39 VAL H H 81 8.001 7.978 0.023 1 1 441 . 4 1 1 A 39 39 VAL HA H 81 4.522 4.945 -0.423 1 1 449 . 4 1 1 A 39 39 VAL C C 81 173.912 174.020 -0.108 1 1 450 . 4 1 1 A 39 39 VAL CA C 81 59.141 59.372 -0.231 1 1 451 . 4 1 1 A 39 39 VAL CB C 81 36.172 36.507 -0.335 1 1 454 . 4 1 1 A 39 39 VAL N N 81 115.450 116.583 -1.133 1 1 455 . 4 1 1 A 40 40 THR H H 82 7.672 8.402 -0.730 1 1 456 . 4 1 1 A 40 40 THR HA H 82 4.746 4.720 0.026 1 1 461 . 4 1 1 A 40 40 THR C C 82 175.692 175.118 0.574 1 1 462 . 4 1 1 A 40 40 THR CA C 82 59.121 60.330 -1.209 1 1 463 . 4 1 1 A 40 40 THR CB C 82 72.735 72.161 0.574 1 1 465 . 4 1 1 A 40 40 THR N N 82 110.320 115.277 -4.957 1 1 466 . 4 1 1 A 41 41 ASP H H 83 9.370 9.081 0.289 1 1 467 . 4 1 1 A 41 41 ASP HA H 83 4.314 4.514 -0.200 1 1 470 . 4 1 1 A 41 41 ASP C C 83 176.943 177.631 -0.688 1 1 471 . 4 1 1 A 41 41 ASP CA C 83 56.797 56.059 0.738 1 1 472 . 4 1 1 A 41 41 ASP CB C 83 38.047 39.978 -1.931 1 1 473 . 4 1 1 A 41 41 ASP N N 83 118.710 122.480 -3.770 1 1 474 . 4 1 1 A 42 42 GLU H H 84 8.228 8.074 0.154 1 1 475 . 4 1 1 A 42 42 GLU HA H 84 4.336 4.239 0.097 1 1 480 . 4 1 1 A 42 42 GLU C C 84 177.827 177.983 -0.156 1 1 481 . 4 1 1 A 42 42 GLU CA C 84 58.204 58.180 0.024 1 1 482 . 4 1 1 A 42 42 GLU CB C 84 29.141 30.362 -1.221 1 1 484 . 4 1 1 A 42 42 GLU N N 84 115.213 118.913 -3.700 1 1 485 . 4 1 1 A 43 43 THR H H 85 7.510 7.878 -0.368 1 1 486 . 4 1 1 A 43 43 THR HA H 85 4.664 4.615 0.049 1 1 491 . 4 1 1 A 43 43 THR C C 85 175.799 175.440 0.359 1 1 492 . 4 1 1 A 43 43 THR CA C 85 61.395 61.811 -0.416 1 1 493 . 4 1 1 A 43 43 THR CB C 85 70.391 69.088 1.303 1 1 495 . 4 1 1 A 43 43 THR N N 85 108.315 114.321 -6.006 1 1 496 . 4 1 1 A 44 44 MET H H 86 7.900 7.943 -0.043 1 1 497 . 4 1 1 A 44 44 MET HA H 86 3.820 4.254 -0.434 1 1 505 . 4 1 1 A 44 44 MET C C 86 176.605 178.368 -1.763 1 1 506 . 4 1 1 A 44 44 MET CA C 86 60.547 58.106 2.441 1 1 507 . 4 1 1 A 44 44 MET CB C 86 32.422 32.066 0.356 1 1 510 . 4 1 1 A 44 44 MET N N 86 121.500 120.309 1.191 1 1 511 . 4 1 1 A 45 45 ILE H H 87 8.430 7.886 0.544 1 1 512 . 4 1 1 A 45 45 ILE HA H 87 3.686 3.764 -0.078 1 1 522 . 4 1 1 A 45 45 ILE C C 87 177.773 178.037 -0.264 1 1 523 . 4 1 1 A 45 45 ILE CA C 87 62.934 64.939 -2.005 1 1 524 . 4 1 1 A 45 45 ILE CB C 87 34.766 38.060 -3.294 1 1 528 . 4 1 1 A 45 45 ILE N N 87 117.970 120.249 -2.279 1 1 529 . 4 1 1 A 46 46 THR H H 88 8.070 8.097 -0.027 1 1 530 . 4 1 1 A 46 46 THR HA H 88 3.953 3.847 0.106 1 1 535 . 4 1 1 A 46 46 THR C C 88 177.011 176.436 0.575 1 1 536 . 4 1 1 A 46 46 THR CA C 88 66.640 66.229 0.411 1 1 537 . 4 1 1 A 46 46 THR CB C 88 68.000 68.485 -0.485 1 1 539 . 4 1 1 A 46 46 THR N N 88 116.920 116.050 0.870 1 1 540 . 4 1 1 A 47 47 ALA H H 89 7.710 8.167 -0.457 1 1 541 . 4 1 1 A 47 47 ALA HA H 89 4.240 4.151 0.089 1 1 545 . 4 1 1 A 47 47 ALA C C 89 174.356 179.850 -5.494 1 1 546 . 4 1 1 A 47 47 ALA CA C 89 55.094 55.240 -0.146 1 1 547 . 4 1 1 A 47 47 ALA CB C 89 18.828 18.369 0.459 1 1 548 . 4 1 1 A 47 47 ALA N N 89 123.490 124.071 -0.581 1 1 549 . 4 1 1 A 48 48 LEU H H 90 8.570 8.207 0.363 1 1 550 . 4 1 1 A 48 48 LEU HA H 90 3.445 3.955 -0.510 1 1 560 . 4 1 1 A 48 48 LEU C C 90 178.088 179.674 -1.586 1 1 561 . 4 1 1 A 48 48 LEU CA C 90 67.110 58.228 8.882 1 1 562 . 4 1 1 A 48 48 LEU CB C 90 31.420 42.075 -10.655 1 1 566 . 4 1 1 A 48 48 LEU N N 90 119.800 118.266 1.534 1 1 567 . 4 1 1 A 49 49 ASN H H 91 8.979 8.740 0.239 1 1 568 . 4 1 1 A 49 49 ASN HA H 91 4.494 4.490 0.004 1 1 571 . 4 1 1 A 49 49 ASN C C 91 178.227 178.120 0.107 1 1 572 . 4 1 1 A 49 49 ASN CA C 91 54.397 56.251 -1.854 1 1 573 . 4 1 1 A 49 49 ASN CB C 91 37.578 38.149 -0.571 1 1 574 . 4 1 1 A 49 49 ASN N N 91 117.500 117.657 -0.157 1 1 575 . 4 1 1 A 50 50 ALA H H 92 7.710 7.758 -0.048 1 1 576 . 4 1 1 A 50 50 ALA HA H 92 4.232 4.038 0.194 1 1 580 . 4 1 1 A 50 50 ALA C C 92 180.155 179.888 0.267 1 1 581 . 4 1 1 A 50 50 ALA CA C 92 54.886 55.199 -0.313 1 1 582 . 4 1 1 A 50 50 ALA CB C 92 17.962 18.745 -0.783 1 1 583 . 4 1 1 A 50 50 ALA N N 92 120.900 123.116 -2.216 1 1 584 . 4 1 1 A 51 51 LEU H H 93 7.670 8.211 -0.541 1 1 585 . 4 1 1 A 51 51 LEU HA H 93 4.340 3.961 0.379 1 1 595 . 4 1 1 A 51 51 LEU C C 93 179.407 179.611 -0.204 1 1 596 . 4 1 1 A 51 51 LEU CA C 93 56.829 57.958 -1.129 1 1 597 . 4 1 1 A 51 51 LEU CB C 93 42.734 42.454 0.280 1 1 601 . 4 1 1 A 51 51 LEU N N 93 117.980 118.035 -0.055 1 1 602 . 4 1 1 A 52 52 THR H H 94 8.530 8.205 0.325 1 1 603 . 4 1 1 A 52 52 THR HA H 94 4.437 4.211 0.226 1 1 608 . 4 1 1 A 52 52 THR C C 94 177.112 175.002 2.110 1 1 609 . 4 1 1 A 52 52 THR CA C 94 61.485 63.611 -2.126 1 1 610 . 4 1 1 A 52 52 THR CB C 94 70.860 70.081 0.779 1 1 612 . 4 1 1 A 52 52 THR N N 94 107.010 109.080 -2.070 1 1 613 . 4 1 1 A 53 53 GLU H H 95 8.001 8.059 -0.058 1 1 614 . 4 1 1 A 53 53 GLU HA H 95 4.062 4.142 -0.080 1 1 619 . 4 1 1 A 53 53 GLU C C 95 176.199 175.794 0.405 1 1 620 . 4 1 1 A 53 53 GLU CA C 95 56.797 57.434 -0.637 1 1 621 . 4 1 1 A 53 53 GLU CB C 95 26.346 28.526 -2.180 1 1 623 . 4 1 1 A 53 53 GLU N N 95 117.560 121.388 -3.828 1 1 624 . 4 1 1 A 54 54 GLY H H 96 8.349 8.519 -0.170 1 1 625 . 4 1 1 A 54 54 GLY HA2 H 96 4.120 3.866 0.254 1 1 626 . 4 1 1 A 54 54 GLY HA3 H 96 3.520 3.882 -0.362 1 1 627 . 4 1 1 A 54 54 GLY C C 96 174.264 174.043 0.221 1 1 628 . 4 1 1 A 54 54 GLY CA C 96 44.600 46.447 -1.847 1 1 629 . 4 1 1 A 54 54 GLY N N 96 105.347 105.317 0.030 1 1 630 . 4 1 1 A 55 55 LYS H H 97 7.400 7.640 -0.240 1 1 631 . 4 1 1 A 55 55 LYS HA H 97 4.386 4.464 -0.078 1 1 640 . 4 1 1 A 55 55 LYS C C 97 177.395 175.664 1.731 1 1 641 . 4 1 1 A 55 55 LYS CA C 97 56.797 55.287 1.510 1 1 642 . 4 1 1 A 55 55 LYS CB C 97 30.522 33.180 -2.658 1 1 646 . 4 1 1 A 55 55 LYS N N 97 120.080 120.308 -0.228 1 1 647 . 4 1 1 A 56 56 LYS H H 98 8.510 8.459 0.051 1 1 648 . 4 1 1 A 56 56 LYS HA H 98 3.940 4.353 -0.413 1 1 657 . 4 1 1 A 56 56 LYS C C 98 176.420 178.229 -1.809 1 1 658 . 4 1 1 A 56 56 LYS CA C 98 56.741 57.131 -0.390 1 1 659 . 4 1 1 A 56 56 LYS CB C 98 30.079 32.511 -2.432 1 1 663 . 4 1 1 A 56 56 LYS N N 98 126.202 124.891 1.311 1 1 664 . 4 1 1 A 57 57 ASP H H 99 8.510 8.112 0.398 1 1 665 . 4 1 1 A 57 57 ASP HA H 99 4.570 4.412 0.158 1 1 668 . 4 1 1 A 57 57 ASP C C 99 174.777 177.536 -2.759 1 1 669 . 4 1 1 A 57 57 ASP CA C 99 52.991 57.553 -4.562 1 1 670 . 4 1 1 A 57 57 ASP CB C 99 38.516 40.505 -1.989 1 1 671 . 4 1 1 A 57 57 ASP N N 99 116.900 119.277 -2.377 1 1 672 . 4 1 1 A 58 58 THR H H 100 7.400 7.682 -0.282 1 1 673 . 4 1 1 A 58 58 THR HA H 100 3.971 4.216 -0.245 1 1 678 . 4 1 1 A 58 58 THR C C 100 172.742 174.450 -1.708 1 1 679 . 4 1 1 A 58 58 THR CA C 100 63.360 64.163 -0.803 1 1 680 . 4 1 1 A 58 58 THR CB C 100 70.391 69.379 1.012 1 1 682 . 4 1 1 A 58 58 THR N N 100 117.350 115.414 1.936 1 1 683 . 4 1 1 A 59 59 THR H H 101 8.414 8.586 -0.172 1 1 684 . 4 1 1 A 59 59 THR HA H 101 4.174 4.670 -0.496 1 1 689 . 4 1 1 A 59 59 THR C C 101 172.505 174.216 -1.711 1 1 690 . 4 1 1 A 59 59 THR CA C 101 63.829 63.831 -0.002 1 1 691 . 4 1 1 A 59 59 THR CB C 101 69.454 68.858 0.596 1 1 693 . 4 1 1 A 59 59 THR N N 101 123.260 121.913 1.347 1 1 694 . 4 1 1 A 60 60 ILE H H 102 8.190 8.736 -0.546 1 1 695 . 4 1 1 A 60 60 ILE HA H 102 4.399 5.080 -0.681 1 1 705 . 4 1 1 A 60 60 ILE C C 102 175.119 175.125 -0.006 1 1 706 . 4 1 1 A 60 60 ILE CA C 102 58.204 60.204 -2.000 1 1 707 . 4 1 1 A 60 60 ILE CB C 102 38.047 40.001 -1.954 1 1 711 . 4 1 1 A 60 60 ILE N N 102 126.467 128.122 -1.655 1 1 712 . 4 1 1 A 61 61 PHE H H 103 8.900 8.876 0.024 1 1 713 . 4 1 1 A 61 61 PHE HA H 103 5.204 5.176 0.028 1 1 720 . 4 1 1 A 61 61 PHE C C 103 174.877 174.896 -0.019 1 1 721 . 4 1 1 A 61 61 PHE CA C 103 57.266 56.399 0.867 1 1 722 . 4 1 1 A 61 61 PHE CB C 103 40.860 39.594 1.266 1 1 723 . 4 1 1 A 61 61 PHE N N 103 125.650 126.653 -1.003 1 1 724 . 4 1 1 A 62 62 PHE H H 104 9.110 8.867 0.243 1 1 725 . 4 1 1 A 62 62 PHE HA H 104 5.590 4.903 0.687 1 1 732 . 4 1 1 A 62 62 PHE C C 104 174.407 174.034 0.373 1 1 733 . 4 1 1 A 62 62 PHE CA C 104 54.922 56.770 -1.848 1 1 734 . 4 1 1 A 62 62 PHE CB C 104 41.300 39.806 1.494 1 1 735 . 4 1 1 A 62 62 PHE N N 104 123.447 124.758 -1.311 1 1 736 . 4 1 1 A 63 63 ARG H H 105 9.020 9.135 -0.115 1 1 737 . 4 1 1 A 63 63 ARG HA H 105 4.830 4.850 -0.020 1 1 744 . 4 1 1 A 63 63 ARG C C 105 173.862 174.737 -0.875 1 1 745 . 4 1 1 A 63 63 ARG CA C 105 54.453 55.212 -0.759 1 1 746 . 4 1 1 A 63 63 ARG CB C 105 32.422 31.652 0.770 1 1 749 . 4 1 1 A 63 63 ARG N N 105 126.020 129.028 -3.008 1 1 750 . 4 1 1 A 64 64 ALA H H 106 8.640 8.640 0.000 1 1 751 . 4 1 1 A 64 64 ALA HA H 106 5.223 4.899 0.324 1 1 755 . 4 1 1 A 64 64 ALA C C 106 176.565 176.337 0.228 1 1 756 . 4 1 1 A 64 64 ALA CA C 106 50.235 49.981 0.254 1 1 757 . 4 1 1 A 64 64 ALA CB C 106 22.110 20.492 1.618 1 1 758 . 4 1 1 A 64 64 ALA N N 106 126.540 129.773 -3.233 1 1 759 . 4 1 1 A 65 65 ASP H H 107 7.900 8.264 -0.364 1 1 760 . 4 1 1 A 65 65 ASP HA H 107 4.685 4.545 0.140 1 1 763 . 4 1 1 A 65 65 ASP C C 107 176.987 177.457 -0.470 1 1 764 . 4 1 1 A 65 65 ASP CA C 107 54.453 54.182 0.271 1 1 765 . 4 1 1 A 65 65 ASP CB C 107 42.209 42.553 -0.344 1 1 766 . 4 1 1 A 65 65 ASP N N 107 121.600 121.390 0.210 1 1 767 . 4 1 1 A 66 66 LYS H H 108 8.700 8.908 -0.208 1 1 768 . 4 1 1 A 66 66 LYS HA H 108 4.221 3.979 0.242 1 1 777 . 4 1 1 A 66 66 LYS C C 108 177.007 178.468 -1.461 1 1 778 . 4 1 1 A 66 66 LYS CA C 108 58.682 59.072 -0.390 1 1 779 . 4 1 1 A 66 66 LYS CB C 108 32.422 32.020 0.402 1 1 783 . 4 1 1 A 66 66 LYS N N 108 120.740 125.705 -4.965 1 1 784 . 4 1 1 A 67 67 THR H H 109 8.035 7.653 0.382 1 1 785 . 4 1 1 A 67 67 THR HA H 109 4.270 4.275 -0.005 1 1 790 . 4 1 1 A 67 67 THR C C 109 175.031 174.857 0.174 1 1 791 . 4 1 1 A 67 67 THR CA C 109 62.422 64.485 -2.063 1 1 792 . 4 1 1 A 67 67 THR CB C 109 68.985 68.979 0.006 1 1 794 . 4 1 1 A 67 67 THR N N 109 108.086 113.830 -5.744 1 1 795 . 4 1 1 A 68 68 VAL H H 110 7.470 7.652 -0.182 1 1 796 . 4 1 1 A 68 68 VAL HA H 110 3.960 3.926 0.034 1 1 804 . 4 1 1 A 68 68 VAL C C 110 175.691 175.481 0.210 1 1 805 . 4 1 1 A 68 68 VAL CA C 110 63.360 62.954 0.406 1 1 806 . 4 1 1 A 68 68 VAL CB C 110 32.422 31.796 0.626 1 1 809 . 4 1 1 A 68 68 VAL N N 110 123.270 122.868 0.402 1 1 810 . 4 1 1 A 69 69 ASP H H 111 8.710 8.411 0.299 1 1 811 . 4 1 1 A 69 69 ASP HA H 111 4.645 5.085 -0.440 1 1 814 . 4 1 1 A 69 69 ASP C C 111 176.150 176.782 -0.632 1 1 815 . 4 1 1 A 69 69 ASP CA C 111 53.989 52.317 1.672 1 1 816 . 4 1 1 A 69 69 ASP CB C 111 41.328 43.632 -2.304 1 1 817 . 4 1 1 A 69 69 ASP N N 111 126.170 127.856 -1.686 1 1 818 . 4 1 1 A 70 70 TYR H H 112 8.840 9.002 -0.162 1 1 819 . 4 1 1 A 70 70 TYR HA H 112 4.056 4.188 -0.132 1 1 826 . 4 1 1 A 70 70 TYR C C 112 177.075 177.438 -0.363 1 1 827 . 4 1 1 A 70 70 TYR CA C 112 61.890 62.041 -0.151 1 1 828 . 4 1 1 A 70 70 TYR CB C 112 38.980 38.916 0.064 1 1 829 . 4 1 1 A 70 70 TYR N N 112 123.360 123.210 0.150 1 1 830 . 4 1 1 A 71 71 GLU H H 113 8.550 8.278 0.272 1 1 831 . 4 1 1 A 71 71 GLU HA H 113 3.904 3.769 0.135 1 1 836 . 4 1 1 A 71 71 GLU C C 113 179.338 179.588 -0.250 1 1 837 . 4 1 1 A 71 71 GLU CA C 113 59.610 59.523 0.087 1 1 838 . 4 1 1 A 71 71 GLU CB C 113 27.765 29.034 -1.269 1 1 840 . 4 1 1 A 71 71 GLU N N 113 116.730 118.127 -1.397 1 1 841 . 4 1 1 A 72 72 THR H H 114 7.780 7.532 0.248 1 1 842 . 4 1 1 A 72 72 THR HA H 114 4.320 4.059 0.261 1 1 847 . 4 1 1 A 72 72 THR C C 114 175.987 176.298 -0.311 1 1 848 . 4 1 1 A 72 72 THR CA C 114 67.579 66.383 1.196 1 1 849 . 4 1 1 A 72 72 THR CB C 114 66.640 68.297 -1.657 1 1 851 . 4 1 1 A 72 72 THR N N 114 117.340 117.897 -0.557 1 1 852 . 4 1 1 A 73 73 LEU H H 115 7.570 7.894 -0.324 1 1 853 . 4 1 1 A 73 73 LEU HA H 115 3.838 4.065 -0.227 1 1 863 . 4 1 1 A 73 73 LEU C C 115 178.670 178.462 0.208 1 1 864 . 4 1 1 A 73 73 LEU CA C 115 58.203 58.128 0.075 1 1 865 . 4 1 1 A 73 73 LEU CB C 115 40.860 41.720 -0.860 1 1 868 . 4 1 1 A 73 73 LEU N N 115 120.510 122.432 -1.922 1 1 869 . 4 1 1 A 74 74 MET H H 116 8.280 7.801 0.479 1 1 870 . 4 1 1 A 74 74 MET HA H 116 4.100 4.172 -0.072 1 1 878 . 4 1 1 A 74 74 MET C C 116 178.503 178.027 0.476 1 1 879 . 4 1 1 A 74 74 MET CA C 116 57.210 57.916 -0.706 1 1 880 . 4 1 1 A 74 74 MET CB C 116 32.400 32.145 0.255 1 1 883 . 4 1 1 A 74 74 MET N N 116 116.240 118.901 -2.661 1 1 884 . 4 1 1 A 75 75 LYS H H 117 7.755 7.534 0.221 1 1 885 . 4 1 1 A 75 75 LYS HA H 117 4.146 4.044 0.102 1 1 894 . 4 1 1 A 75 75 LYS C C 117 173.559 179.049 -5.490 1 1 895 . 4 1 1 A 75 75 LYS CA C 117 59.610 59.115 0.495 1 1 896 . 4 1 1 A 75 75 LYS CB C 117 31.495 32.704 -1.209 1 1 900 . 4 1 1 A 75 75 LYS N N 117 120.230 118.745 1.485 1 1 901 . 4 1 1 A 76 76 VAL H H 118 7.880 7.775 0.105 1 1 902 . 4 1 1 A 76 76 VAL HA H 118 3.598 3.839 -0.241 1 1 910 . 4 1 1 A 76 76 VAL C C 118 178.205 177.990 0.215 1 1 911 . 4 1 1 A 76 76 VAL CA C 118 66.641 65.120 1.521 1 1 912 . 4 1 1 A 76 76 VAL CB C 118 31.485 31.361 0.124 1 1 915 . 4 1 1 A 76 76 VAL N N 118 120.500 115.718 4.782 1 1 916 . 4 1 1 A 77 77 MET H H 119 8.262 7.971 0.291 1 1 917 . 4 1 1 A 77 77 MET HA H 119 3.904 4.099 -0.195 1 1 925 . 4 1 1 A 77 77 MET C C 119 178.200 177.675 0.525 1 1 926 . 4 1 1 A 77 77 MET CA C 119 59.610 58.441 1.169 1 1 927 . 4 1 1 A 77 77 MET CB C 119 32.422 31.805 0.617 1 1 930 . 4 1 1 A 77 77 MET N N 119 118.320 120.302 -1.982 1 1 931 . 4 1 1 A 78 78 ASP H H 120 8.720 8.166 0.554 1 1 932 . 4 1 1 A 78 78 ASP HA H 120 4.400 4.287 0.113 1 1 935 . 4 1 1 A 78 78 ASP C C 120 178.216 178.660 -0.444 1 1 936 . 4 1 1 A 78 78 ASP CA C 120 56.797 57.299 -0.502 1 1 937 . 4 1 1 A 78 78 ASP CB C 120 38.980 40.802 -1.822 1 1 938 . 4 1 1 A 78 78 ASP N N 120 117.800 119.534 -1.734 1 1 939 . 4 1 1 A 79 79 THR H H 121 8.040 7.729 0.311 1 1 940 . 4 1 1 A 79 79 THR HA H 121 3.939 3.955 -0.016 1 1 945 . 4 1 1 A 79 79 THR C C 121 176.582 177.317 -0.735 1 1 946 . 4 1 1 A 79 79 THR CA C 121 66.641 67.441 -0.800 1 1 947 . 4 1 1 A 79 79 THR CB C 121 68.516 69.040 -0.524 1 1 949 . 4 1 1 A 79 79 THR N N 121 118.470 116.503 1.967 1 1 950 . 4 1 1 A 80 80 LEU H H 122 7.931 7.955 -0.024 1 1 951 . 4 1 1 A 80 80 LEU HA H 122 4.136 4.145 -0.009 1 1 961 . 4 1 1 A 80 80 LEU C C 122 178.936 179.103 -0.167 1 1 962 . 4 1 1 A 80 80 LEU CA C 122 58.672 57.998 0.674 1 1 963 . 4 1 1 A 80 80 LEU CB C 122 41.328 41.083 0.245 1 1 967 . 4 1 1 A 80 80 LEU N N 122 121.676 118.144 3.532 1 1 968 . 4 1 1 A 81 81 HIS H H 123 8.825 7.838 0.987 1 1 969 . 4 1 1 A 81 81 HIS HA H 123 4.455 4.293 0.162 1 1 974 . 4 1 1 A 81 81 HIS C C 123 179.780 177.670 2.110 1 1 975 . 4 1 1 A 81 81 HIS CA C 123 57.732 59.322 -1.590 1 1 976 . 4 1 1 A 81 81 HIS CB C 123 28.672 29.958 -1.286 1 1 977 . 4 1 1 A 81 81 HIS N N 123 117.910 118.653 -0.743 1 1 978 . 4 1 1 A 82 82 GLN H H 124 8.740 7.697 1.043 1 1 979 . 4 1 1 A 82 82 GLN HA H 124 4.092 4.041 0.051 1 1 984 . 4 1 1 A 82 82 GLN C C 124 177.091 177.285 -0.194 1 1 985 . 4 1 1 A 82 82 GLN CA C 124 58.672 58.450 0.222 1 1 986 . 4 1 1 A 82 82 GLN CB C 124 28.204 27.986 0.218 1 1 988 . 4 1 1 A 82 82 GLN N N 124 120.420 116.625 3.795 1 1 989 . 4 1 1 A 83 83 ALA H H 125 7.330 7.301 0.029 1 1 990 . 4 1 1 A 83 83 ALA HA H 125 4.495 4.321 0.174 1 1 994 . 4 1 1 A 83 83 ALA C C 125 176.371 177.917 -1.546 1 1 995 . 4 1 1 A 83 83 ALA CA C 125 52.110 51.632 0.478 1 1 996 . 4 1 1 A 83 83 ALA CB C 125 19.756 18.686 1.070 1 1 997 . 4 1 1 A 83 83 ALA N N 125 119.130 118.925 0.205 1 1 998 . 4 1 1 A 84 84 GLY H H 126 7.780 8.103 -0.323 1 1 999 . 4 1 1 A 84 84 GLY HA2 H 126 4.111 3.801 0.310 1 1 1000 . 4 1 1 A 84 84 GLY HA3 H 126 3.505 3.877 -0.372 1 1 1001 . 4 1 1 A 84 84 GLY C C 126 173.562 173.841 -0.279 1 1 1002 . 4 1 1 A 84 84 GLY CA C 126 44.610 46.475 -1.865 1 1 1003 . 4 1 1 A 84 84 GLY N N 126 104.120 107.546 -3.426 1 1 1004 . 4 1 1 A 85 85 TYR H H 127 7.910 8.235 -0.325 1 1 1005 . 4 1 1 A 85 85 TYR HA H 127 4.551 4.161 0.390 1 1 1012 . 4 1 1 A 85 85 TYR C C 127 177.192 175.778 1.414 1 1 1013 . 4 1 1 A 85 85 TYR CA C 127 59.610 58.037 1.573 1 1 1014 . 4 1 1 A 85 85 TYR CB C 127 37.110 36.533 0.577 1 1 1015 . 4 1 1 A 85 85 TYR N N 127 120.310 121.040 -0.730 1 1 1016 . 4 1 1 A 86 86 LEU H H 128 7.835 8.263 -0.428 1 1 1017 . 4 1 1 A 86 86 LEU HA H 128 4.357 4.494 -0.137 1 1 1027 . 4 1 1 A 86 86 LEU C C 128 178.503 176.112 2.391 1 1 1028 . 4 1 1 A 86 86 LEU CA C 128 54.456 54.435 0.021 1 1 1029 . 4 1 1 A 86 86 LEU CB C 128 43.203 42.443 0.760 1 1 1033 . 4 1 1 A 86 86 LEU N N 128 120.100 121.520 -1.420 1 1 1034 . 4 1 1 A 87 87 LYS H H 129 9.330 7.862 1.468 1 1 1035 . 4 1 1 A 87 87 LYS HA H 129 4.512 4.593 -0.081 1 1 1044 . 4 1 1 A 87 87 LYS C C 129 173.251 174.852 -1.601 1 1 1045 . 4 1 1 A 87 87 LYS CA C 129 54.922 55.472 -0.550 1 1 1046 . 4 1 1 A 87 87 LYS CB C 129 31.000 33.413 -2.413 1 1 1050 . 4 1 1 A 87 87 LYS N N 129 125.180 118.717 6.463 1 1 1051 . 4 1 1 A 88 88 ILE H H 130 7.589 8.464 -0.875 1 1 1052 . 4 1 1 A 88 88 ILE HA H 130 5.015 4.802 0.213 1 1 1062 . 4 1 1 A 88 88 ILE C C 130 176.481 175.794 0.687 1 1 1063 . 4 1 1 A 88 88 ILE CA C 130 58.672 59.716 -1.044 1 1 1064 . 4 1 1 A 88 88 ILE CB C 130 40.391 38.719 1.672 1 1 1068 . 4 1 1 A 88 88 ILE N N 130 122.487 125.628 -3.141 1 1 1069 . 4 1 1 A 89 89 GLY H H 131 8.960 8.780 0.180 1 1 1070 . 4 1 1 A 89 89 GLY HA2 H 131 4.543 3.252 1.291 1 1 1071 . 4 1 1 A 89 89 GLY HA3 H 131 3.488 3.763 -0.275 1 1 1072 . 4 1 1 A 89 89 GLY C C 131 171.936 172.151 -0.215 1 1 1073 . 4 1 1 A 89 89 GLY CA C 131 44.610 44.861 -0.251 1 1 1074 . 4 1 1 A 89 89 GLY N N 131 115.300 115.739 -0.439 1 1 1075 . 4 1 1 A 90 90 LEU H H 132 8.610 9.001 -0.391 1 1 1076 . 4 1 1 A 90 90 LEU HA H 132 5.061 4.730 0.331 1 1 1086 . 4 1 1 A 90 90 LEU C C 132 177.246 176.632 0.614 1 1 1087 . 4 1 1 A 90 90 LEU CA C 132 54.453 53.429 1.024 1 1 1088 . 4 1 1 A 90 90 LEU CB C 132 42.735 41.815 0.920 1 1 1092 . 4 1 1 A 90 90 LEU N N 132 124.560 124.656 -0.096 1 1 1093 . 4 1 1 A 91 91 VAL H H 133 8.630 8.483 0.147 1 1 1094 . 4 1 1 A 91 91 VAL HA H 133 4.299 3.978 0.321 1 1 1102 . 4 1 1 A 91 91 VAL C C 133 176.296 176.974 -0.678 1 1 1103 . 4 1 1 A 91 91 VAL CA C 133 61.953 63.556 -1.603 1 1 1104 . 4 1 1 A 91 91 VAL CB C 133 33.360 32.039 1.321 1 1 1107 . 4 1 1 A 91 91 VAL N N 133 123.280 126.407 -3.127 1 1 1108 . 4 1 1 A 92 92 GLY H H 134 8.620 8.871 -0.251 1 1 1109 . 4 1 1 A 92 92 GLY HA2 H 134 4.154 4.191 -0.037 1 1 1110 . 4 1 1 A 92 92 GLY HA3 H 134 4.007 4.204 -0.197 1 1 1111 . 4 1 1 A 92 92 GLY C C 134 174.157 174.889 -0.732 1 1 1112 . 4 1 1 A 92 92 GLY CA C 134 45.097 45.041 0.056 1 1 1113 . 4 1 1 A 92 92 GLY N N 134 112.500 116.183 -3.683 1 1 1114 . 4 1 1 A 93 93 GLU H H 135 8.278 8.246 0.032 1 1 1115 . 4 1 1 A 93 93 GLU HA H 135 4.387 4.413 -0.026 1 1 1120 . 4 1 1 A 93 93 GLU C C 135 176.500 176.807 -0.307 1 1 1121 . 4 1 1 A 93 93 GLU CA C 135 56.797 55.586 1.211 1 1 1122 . 4 1 1 A 93 93 GLU CB C 135 29.141 28.654 0.487 1 1 1124 . 4 1 1 A 93 93 GLU N N 135 119.460 121.574 -2.114 1 1 1125 . 4 1 1 A 94 94 GLU H H 136 8.680 8.088 0.592 1 1 1126 . 4 1 1 A 94 94 GLU HA H 136 4.387 4.042 0.345 1 1 1131 . 4 1 1 A 94 94 GLU C C 136 176.970 175.597 1.373 1 1 1132 . 4 1 1 A 94 94 GLU CA C 136 56.797 57.250 -0.453 1 1 1133 . 4 1 1 A 94 94 GLU CB C 136 29.141 28.130 1.011 1 1 1135 . 4 1 1 A 94 94 GLU N N 136 121.740 118.646 3.094 1 1 1136 . 4 1 1 A 95 95 THR H H 137 8.221 8.263 -0.042 1 1 1137 . 4 1 1 A 95 95 THR HA H 137 4.228 4.414 -0.186 1 1 1142 . 4 1 1 A 95 95 THR C C 137 174.880 173.045 1.835 1 1 1143 . 4 1 1 A 95 95 THR CA C 137 62.422 61.699 0.723 1 1 1144 . 4 1 1 A 95 95 THR CB C 137 69.454 66.638 2.816 1 1 1146 . 4 1 1 A 95 95 THR N N 137 115.380 116.538 -1.158 1 1 1147 . 4 1 1 A 96 96 ALA H H 138 8.311 7.740 0.571 1 1 1148 . 4 1 1 A 96 96 ALA HA H 138 4.233 4.930 -0.697 1 1 1152 . 4 1 1 A 96 96 ALA C C 138 178.469 175.709 2.760 1 1 1153 . 4 1 1 A 96 96 ALA CA C 138 53.516 51.586 1.930 1 1 1154 . 4 1 1 A 96 96 ALA CB C 138 18.828 22.877 -4.049 1 1 1155 . 4 1 1 A 96 96 ALA N N 138 125.688 126.088 -0.400 1 1 1156 . 4 1 1 A 97 97 LYS H H 139 8.210 8.660 -0.450 1 1 1157 . 4 1 1 A 97 97 LYS HA H 139 4.163 4.735 -0.572 1 1 1166 . 4 1 1 A 97 97 LYS C C 139 177.154 174.587 2.567 1 1 1167 . 4 1 1 A 97 97 LYS CA C 139 57.265 55.816 1.449 1 1 1168 . 4 1 1 A 97 97 LYS CB C 139 32.891 36.684 -3.793 1 1 1172 . 4 1 1 A 97 97 LYS N N 139 120.110 120.219 -0.109 1 1 1173 . 4 1 1 A 98 98 ALA H H 140 8.170 8.631 -0.461 1 1 1174 . 4 1 1 A 98 98 ALA HA H 140 4.209 5.035 -0.826 1 1 1178 . 4 1 1 A 98 98 ALA C C 140 178.469 175.818 2.651 1 1 1179 . 4 1 1 A 98 98 ALA CA C 140 53.516 51.021 2.495 1 1 1180 . 4 1 1 A 98 98 ALA CB C 140 18.828 23.598 -4.770 1 1 1181 . 4 1 1 A 98 98 ALA N N 140 124.210 124.411 -0.201 1 1 1 . 5 1 1 A 2 2 ASP H H 44 8.930 8.784 0.146 1 1 2 . 5 1 1 A 2 2 ASP HA H 44 4.860 5.254 -0.394 1 1 5 . 5 1 1 A 2 2 ASP C C 44 175.278 174.321 0.957 1 1 6 . 5 1 1 A 2 2 ASP CA C 44 53.516 53.974 -0.458 1 1 7 . 5 1 1 A 2 2 ASP CB C 44 39.397 44.652 -5.255 1 1 8 . 5 1 1 A 2 2 ASP N N 44 122.920 122.867 0.053 1 1 9 . 5 1 1 A 3 3 VAL H H 45 8.329 8.564 -0.235 1 1 10 . 5 1 1 A 3 3 VAL HA H 45 4.120 4.559 -0.439 1 1 18 . 5 1 1 A 3 3 VAL C C 45 175.938 174.693 1.245 1 1 19 . 5 1 1 A 3 3 VAL CA C 45 62.422 59.332 3.090 1 1 20 . 5 1 1 A 3 3 VAL CB C 45 32.300 35.562 -3.262 1 1 23 . 5 1 1 A 3 3 VAL N N 45 121.541 118.989 2.552 1 1 24 . 5 1 1 A 4 4 LYS H H 46 8.400 8.754 -0.354 1 1 25 . 5 1 1 A 4 4 LYS HA H 46 4.387 3.739 0.648 1 1 34 . 5 1 1 A 4 4 LYS C C 46 176.333 175.158 1.175 1 1 35 . 5 1 1 A 4 4 LYS CA C 46 56.270 56.956 -0.686 1 1 36 . 5 1 1 A 4 4 LYS CB C 46 32.874 30.188 2.686 1 1 40 . 5 1 1 A 4 4 LYS N N 46 125.410 119.486 5.924 1 1 42 . 5 1 1 A 5 5 VAL H H 47 8.190 7.583 0.607 1 1 43 . 5 1 1 A 5 5 VAL HA H 47 4.118 4.146 -0.028 1 1 51 . 5 1 1 A 5 5 VAL C C 47 175.567 175.494 0.073 1 1 52 . 5 1 1 A 5 5 VAL CA C 47 61.954 61.203 0.751 1 1 53 . 5 1 1 A 5 5 VAL CB C 47 32.443 32.700 -0.257 1 1 56 . 5 1 1 A 5 5 VAL N N 47 121.672 115.379 6.293 1 1 57 . 5 1 1 A 6 6 ASN H H 48 8.571 8.553 0.018 1 1 58 . 5 1 1 A 6 6 ASN HA H 48 4.750 5.117 -0.367 1 1 61 . 5 1 1 A 6 6 ASN C C 48 174.566 174.673 -0.107 1 1 62 . 5 1 1 A 6 6 ASN CA C 48 53.047 53.214 -0.167 1 1 63 . 5 1 1 A 6 6 ASN CB C 48 38.901 40.433 -1.532 1 1 64 . 5 1 1 A 6 6 ASN N N 48 123.230 119.501 3.729 1 1 65 . 5 1 1 A 7 7 LEU H H 49 8.286 8.926 -0.640 1 1 66 . 5 1 1 A 7 7 LEU HA H 49 4.632 5.110 -0.478 1 1 76 . 5 1 1 A 7 7 LEU C C 49 175.162 173.952 1.210 1 1 77 . 5 1 1 A 7 7 LEU CA C 49 53.047 51.828 1.219 1 1 78 . 5 1 1 A 7 7 LEU CB C 49 41.825 43.038 -1.213 1 1 82 . 5 1 1 A 7 7 LEU N N 49 124.491 123.240 1.251 1 1 83 . 5 1 1 A 8 8 PRO HA H 50 4.443 4.662 -0.219 1 1 90 . 5 1 1 A 8 8 PRO C C 50 176.734 175.696 1.038 1 1 91 . 5 1 1 A 8 8 PRO CA C 50 62.903 62.526 0.377 1 1 92 . 5 1 1 A 8 8 PRO CB C 50 31.839 33.395 -1.556 1 1 95 . 5 1 1 A 9 9 ALA H H 51 8.424 8.303 0.121 1 1 96 . 5 1 1 A 9 9 ALA HA H 51 4.330 4.835 -0.505 1 1 100 . 5 1 1 A 9 9 ALA C C 51 178.124 174.801 3.323 1 1 101 . 5 1 1 A 9 9 ALA CA C 51 52.578 51.185 1.393 1 1 102 . 5 1 1 A 9 9 ALA CB C 51 19.297 23.198 -3.901 1 1 103 . 5 1 1 A 9 9 ALA N N 51 124.364 120.303 4.061 1 1 104 . 5 1 1 A 10 10 SER H H 52 8.380 8.697 -0.317 1 1 105 . 5 1 1 A 10 10 SER HA H 52 4.223 5.055 -0.832 1 1 108 . 5 1 1 A 10 10 SER C C 52 174.982 174.006 0.976 1 1 109 . 5 1 1 A 10 10 SER CA C 52 58.672 56.547 2.125 1 1 110 . 5 1 1 A 10 10 SER CB C 52 63.829 64.891 -1.062 1 1 111 . 5 1 1 A 10 10 SER N N 52 114.800 114.915 -0.115 1 1 112 . 5 1 1 A 11 11 THR H H 53 8.227 8.688 -0.461 1 1 113 . 5 1 1 A 11 11 THR HA H 53 4.478 4.275 0.203 1 1 118 . 5 1 1 A 11 11 THR C C 53 174.612 174.421 0.191 1 1 119 . 5 1 1 A 11 11 THR CA C 53 61.922 62.499 -0.577 1 1 120 . 5 1 1 A 11 11 THR CB C 53 69.922 69.855 0.067 1 1 122 . 5 1 1 A 11 11 THR N N 53 115.236 120.479 -5.243 1 1 123 . 5 1 1 A 12 12 SER H H 54 8.330 8.796 -0.466 1 1 124 . 5 1 1 A 12 12 SER HA H 54 4.559 5.154 -0.595 1 1 127 . 5 1 1 A 12 12 SER C C 54 174.299 172.509 1.790 1 1 128 . 5 1 1 A 12 12 SER CA C 54 58.204 57.485 0.719 1 1 129 . 5 1 1 A 12 12 SER CB C 54 63.891 67.283 -3.392 1 1 130 . 5 1 1 A 12 12 SER N N 54 117.770 116.933 0.837 1 1 131 . 5 1 1 A 13 13 THR H H 55 8.274 8.808 -0.534 1 1 132 . 5 1 1 A 13 13 THR HA H 55 4.624 5.017 -0.393 1 1 137 . 5 1 1 A 13 13 THR C C 55 170.400 172.676 -2.276 1 1 138 . 5 1 1 A 13 13 THR CA C 55 60.079 58.073 2.006 1 1 139 . 5 1 1 A 13 13 THR CB C 55 69.922 72.431 -2.509 1 1 141 . 5 1 1 A 13 13 THR N N 55 118.865 116.151 2.714 1 1 142 . 5 1 1 A 14 14 PRO HA H 56 4.458 4.585 -0.127 1 1 149 . 5 1 1 A 14 14 PRO C C 56 176.748 175.134 1.614 1 1 150 . 5 1 1 A 14 14 PRO CA C 56 63.076 62.278 0.798 1 1 151 . 5 1 1 A 14 14 PRO CB C 56 32.043 33.021 -0.978 1 1 154 . 5 1 1 A 15 15 GLN H H 57 8.547 8.425 0.122 1 1 155 . 5 1 1 A 15 15 GLN HA H 57 4.620 4.796 -0.176 1 1 160 . 5 1 1 A 15 15 GLN CA C 57 53.600 52.707 0.893 1 1 161 . 5 1 1 A 15 15 GLN CB C 57 29.141 31.275 -2.134 1 1 163 . 5 1 1 A 15 15 GLN N N 57 122.041 118.757 3.284 1 1 165 . 5 1 1 A 16 16 PRO HA H 58 4.458 4.671 -0.213 1 1 172 . 5 1 1 A 16 16 PRO C C 58 176.620 175.946 0.674 1 1 173 . 5 1 1 A 16 16 PRO CA C 58 62.872 62.854 0.018 1 1 174 . 5 1 1 A 16 16 PRO CB C 58 32.111 32.788 -0.677 1 1 177 . 5 1 1 A 17 17 ARG H H 59 8.511 8.484 0.027 1 1 178 . 5 1 1 A 17 17 ARG HA H 59 4.643 4.950 -0.307 1 1 185 . 5 1 1 A 17 17 ARG CA C 59 53.985 53.865 0.120 1 1 186 . 5 1 1 A 17 17 ARG CB C 59 30.195 31.127 -0.932 1 1 189 . 5 1 1 A 17 17 ARG N N 59 122.731 121.610 1.121 1 1 190 . 5 1 1 A 18 18 PRO HA H 60 4.458 4.634 -0.176 1 1 197 . 5 1 1 A 18 18 PRO C C 60 176.892 175.212 1.680 1 1 198 . 5 1 1 A 18 18 PRO CA C 60 62.940 62.461 0.479 1 1 199 . 5 1 1 A 18 18 PRO CB C 60 32.891 32.968 -0.077 1 1 202 . 5 1 1 A 19 19 GLU H H 61 8.480 8.602 -0.122 1 1 203 . 5 1 1 A 19 19 GLU HA H 61 4.391 4.906 -0.515 1 1 208 . 5 1 1 A 19 19 GLU C C 61 176.174 175.636 0.538 1 1 209 . 5 1 1 A 19 19 GLU CA C 61 54.922 55.772 -0.850 1 1 210 . 5 1 1 A 19 19 GLU CB C 61 29.141 30.624 -1.483 1 1 212 . 5 1 1 A 19 19 GLU N N 61 120.840 120.459 0.381 1 1 213 . 5 1 1 A 20 20 LYS H H 62 8.502 8.888 -0.386 1 1 214 . 5 1 1 A 20 20 LYS HA H 62 4.620 5.023 -0.403 1 1 223 . 5 1 1 A 20 20 LYS C C 62 171.420 173.511 -2.091 1 1 224 . 5 1 1 A 20 20 LYS CA C 62 54.827 53.899 0.928 1 1 225 . 5 1 1 A 20 20 LYS CB C 62 32.422 35.599 -3.177 1 1 229 . 5 1 1 A 20 20 LYS N N 62 125.117 121.287 3.830 1 1 230 . 5 1 1 A 21 21 PRO HA H 63 4.448 4.512 -0.064 1 1 237 . 5 1 1 A 21 21 PRO CA C 63 62.261 62.601 -0.340 1 1 238 . 5 1 1 A 21 21 PRO CB C 63 32.422 32.040 0.382 1 1 241 . 5 1 1 A 22 22 VAL H H 64 8.570 8.473 0.097 1 1 242 . 5 1 1 A 22 22 VAL HA H 64 4.097 4.348 -0.251 1 1 250 . 5 1 1 A 22 22 VAL C C 64 173.862 174.737 -0.875 1 1 251 . 5 1 1 A 22 22 VAL CA C 64 61.000 61.869 -0.869 1 1 252 . 5 1 1 A 22 22 VAL CB C 64 33.770 31.610 2.160 1 1 255 . 5 1 1 A 22 22 VAL N N 64 120.453 122.984 -2.531 1 1 256 . 5 1 1 A 23 23 TYR H H 65 8.600 9.136 -0.536 1 1 257 . 5 1 1 A 23 23 TYR HA H 65 5.207 5.423 -0.216 1 1 264 . 5 1 1 A 23 23 TYR C C 65 174.916 173.922 0.994 1 1 265 . 5 1 1 A 23 23 TYR CA C 65 57.210 56.209 1.001 1 1 266 . 5 1 1 A 23 23 TYR CB C 65 39.454 41.939 -2.485 1 1 267 . 5 1 1 A 23 23 TYR N N 65 124.580 128.789 -4.209 1 1 268 . 5 1 1 A 24 24 LEU H H 66 9.186 9.238 -0.052 1 1 269 . 5 1 1 A 24 24 LEU HA H 66 5.261 5.274 -0.013 1 1 279 . 5 1 1 A 24 24 LEU C C 66 175.491 176.504 -1.013 1 1 280 . 5 1 1 A 24 24 LEU CA C 66 53.516 53.670 -0.154 1 1 281 . 5 1 1 A 24 24 LEU CB C 66 45.078 44.368 0.710 1 1 285 . 5 1 1 A 24 24 LEU N N 66 128.669 127.818 0.851 1 1 286 . 5 1 1 A 25 25 SER H H 67 9.300 9.010 0.290 1 1 287 . 5 1 1 A 25 25 SER HA H 67 5.637 5.367 0.270 1 1 290 . 5 1 1 A 25 25 SER C C 67 173.470 173.687 -0.217 1 1 291 . 5 1 1 A 25 25 SER CA C 67 56.784 57.794 -1.010 1 1 292 . 5 1 1 A 25 25 SER CB C 67 65.267 64.948 0.319 1 1 293 . 5 1 1 A 25 25 SER N N 67 120.290 121.317 -1.027 1 1 294 . 5 1 1 A 26 26 VAL H H 68 8.600 8.737 -0.137 1 1 295 . 5 1 1 A 26 26 VAL HA H 68 4.847 5.214 -0.367 1 1 303 . 5 1 1 A 26 26 VAL C C 68 175.205 174.668 0.537 1 1 304 . 5 1 1 A 26 26 VAL CA C 68 60.950 59.672 1.278 1 1 305 . 5 1 1 A 26 26 VAL CB C 68 33.770 34.795 -1.025 1 1 308 . 5 1 1 A 26 26 VAL N N 68 123.723 125.011 -1.288 1 1 309 . 5 1 1 A 27 27 LYS H H 69 8.760 8.989 -0.229 1 1 310 . 5 1 1 A 27 27 LYS HA H 69 4.630 4.994 -0.364 1 1 319 . 5 1 1 A 27 27 LYS C C 69 176.007 176.083 -0.076 1 1 320 . 5 1 1 A 27 27 LYS CA C 69 62.400 54.205 8.195 1 1 321 . 5 1 1 A 27 27 LYS CB C 69 33.820 35.883 -2.063 1 1 325 . 5 1 1 A 27 27 LYS N N 69 126.000 122.795 3.205 1 1 326 . 5 1 1 A 28 28 ALA H H 70 8.728 8.700 0.028 1 1 327 . 5 1 1 A 28 28 ALA HA H 70 4.018 3.910 0.108 1 1 331 . 5 1 1 A 28 28 ALA C C 70 177.852 177.060 0.792 1 1 332 . 5 1 1 A 28 28 ALA CA C 70 53.985 54.268 -0.283 1 1 333 . 5 1 1 A 28 28 ALA CB C 70 19.297 17.869 1.428 1 1 334 . 5 1 1 A 28 28 ALA N N 70 124.480 121.540 2.940 1 1 335 . 5 1 1 A 29 29 ASP H H 71 8.256 8.872 -0.616 1 1 336 . 5 1 1 A 29 29 ASP HA H 71 4.497 4.469 0.028 1 1 339 . 5 1 1 A 29 29 ASP C C 71 176.455 176.193 0.262 1 1 340 . 5 1 1 A 29 29 ASP CA C 71 53.985 56.426 -2.441 1 1 341 . 5 1 1 A 29 29 ASP CB C 71 39.315 40.263 -0.948 1 1 342 . 5 1 1 A 29 29 ASP N N 71 118.722 118.090 0.632 1 1 343 . 5 1 1 A 30 30 ASN H H 72 8.380 7.816 0.564 1 1 344 . 5 1 1 A 30 30 ASN HA H 72 4.374 4.933 -0.559 1 1 349 . 5 1 1 A 30 30 ASN C C 72 174.641 172.926 1.715 1 1 350 . 5 1 1 A 30 30 ASN CA C 72 54.453 53.536 0.917 1 1 351 . 5 1 1 A 30 30 ASN CB C 72 37.579 39.492 -1.913 1 1 352 . 5 1 1 A 30 30 ASN N N 72 113.000 116.969 -3.969 1 1 353 . 5 1 1 A 31 31 SER H H 73 7.710 8.379 -0.669 1 1 354 . 5 1 1 A 31 31 SER HA H 73 4.404 5.024 -0.620 1 1 357 . 5 1 1 A 31 31 SER C C 73 172.527 173.449 -0.922 1 1 358 . 5 1 1 A 31 31 SER CA C 73 58.672 56.908 1.764 1 1 359 . 5 1 1 A 31 31 SER CB C 73 63.303 65.931 -2.628 1 1 360 . 5 1 1 A 31 31 SER N N 73 115.080 119.678 -4.598 1 1 361 . 5 1 1 A 32 32 MET H H 74 8.065 8.232 -0.167 1 1 362 . 5 1 1 A 32 32 MET HA H 74 5.573 5.200 0.373 1 1 370 . 5 1 1 A 32 32 MET C C 74 174.974 175.781 -0.807 1 1 371 . 5 1 1 A 32 32 MET CA C 74 54.397 54.543 -0.146 1 1 372 . 5 1 1 A 32 32 MET CB C 74 37.579 33.679 3.900 1 1 375 . 5 1 1 A 32 32 MET N N 74 121.780 127.039 -5.259 1 1 376 . 5 1 1 A 33 33 PHE H H 75 8.900 9.123 -0.223 1 1 377 . 5 1 1 A 33 33 PHE HA H 75 5.190 4.824 0.366 1 1 384 . 5 1 1 A 33 33 PHE C C 75 175.228 174.525 0.703 1 1 385 . 5 1 1 A 33 33 PHE CA C 75 56.797 58.126 -1.329 1 1 386 . 5 1 1 A 33 33 PHE CB C 75 44.141 40.603 3.538 1 1 387 . 5 1 1 A 33 33 PHE N N 75 118.800 122.979 -4.179 1 1 388 . 5 1 1 A 34 34 ILE H H 76 8.830 8.477 0.353 1 1 389 . 5 1 1 A 34 34 ILE HA H 76 4.851 4.263 0.588 1 1 399 . 5 1 1 A 34 34 ILE C C 76 177.606 178.343 -0.737 1 1 400 . 5 1 1 A 34 34 ILE CA C 76 59.610 61.548 -1.938 1 1 401 . 5 1 1 A 34 34 ILE CB C 76 37.990 38.176 -0.186 1 1 405 . 5 1 1 A 34 34 ILE N N 76 121.330 128.194 -6.864 1 1 406 . 5 1 1 A 35 35 GLY H H 77 9.177 8.680 0.497 1 1 407 . 5 1 1 A 35 35 GLY HA2 H 77 4.139 3.822 0.317 1 1 408 . 5 1 1 A 35 35 GLY HA3 H 77 3.742 3.845 -0.103 1 1 409 . 5 1 1 A 35 35 GLY C C 77 174.757 175.067 -0.310 1 1 410 . 5 1 1 A 35 35 GLY CA C 77 47.422 47.341 0.081 1 1 411 . 5 1 1 A 35 35 GLY N N 77 118.894 113.801 5.093 1 1 412 . 5 1 1 A 36 36 ASN H H 78 9.170 7.953 1.217 1 1 413 . 5 1 1 A 36 36 ASN HA H 78 4.846 5.036 -0.190 1 1 416 . 5 1 1 A 36 36 ASN C C 78 174.867 173.360 1.507 1 1 417 . 5 1 1 A 36 36 ASN CA C 78 52.578 52.146 0.432 1 1 418 . 5 1 1 A 36 36 ASN CB C 78 38.985 39.040 -0.055 1 1 419 . 5 1 1 A 36 36 ASN N N 78 125.494 117.443 8.051 1 1 420 . 5 1 1 A 37 37 ASP H H 79 8.590 7.702 0.888 1 1 421 . 5 1 1 A 37 37 ASP HA H 79 5.330 4.875 0.455 1 1 424 . 5 1 1 A 37 37 ASP C C 79 173.009 173.560 -0.551 1 1 425 . 5 1 1 A 37 37 ASP CA C 79 51.172 52.390 -1.218 1 1 426 . 5 1 1 A 37 37 ASP CB C 79 39.922 41.333 -1.411 1 1 427 . 5 1 1 A 37 37 ASP N N 79 121.409 123.128 -1.719 1 1 428 . 5 1 1 A 38 38 PRO HA H 80 4.320 4.524 -0.204 1 1 435 . 5 1 1 A 38 38 PRO C C 80 176.862 176.195 0.667 1 1 436 . 5 1 1 A 38 38 PRO CA C 80 62.422 62.300 0.122 1 1 437 . 5 1 1 A 38 38 PRO CB C 80 32.890 31.441 1.449 1 1 440 . 5 1 1 A 39 39 VAL H H 81 8.001 7.994 0.007 1 1 441 . 5 1 1 A 39 39 VAL HA H 81 4.522 4.859 -0.337 1 1 449 . 5 1 1 A 39 39 VAL C C 81 173.912 173.359 0.553 1 1 450 . 5 1 1 A 39 39 VAL CA C 81 59.141 59.480 -0.339 1 1 451 . 5 1 1 A 39 39 VAL CB C 81 36.172 36.372 -0.200 1 1 454 . 5 1 1 A 39 39 VAL N N 81 115.450 116.665 -1.215 1 1 455 . 5 1 1 A 40 40 THR H H 82 7.672 8.473 -0.801 1 1 456 . 5 1 1 A 40 40 THR HA H 82 4.746 4.824 -0.078 1 1 461 . 5 1 1 A 40 40 THR C C 82 175.692 174.921 0.771 1 1 462 . 5 1 1 A 40 40 THR CA C 82 59.121 59.592 -0.471 1 1 463 . 5 1 1 A 40 40 THR CB C 82 72.735 71.809 0.926 1 1 465 . 5 1 1 A 40 40 THR N N 82 110.320 114.924 -4.604 1 1 466 . 5 1 1 A 41 41 ASP H H 83 9.370 8.875 0.495 1 1 467 . 5 1 1 A 41 41 ASP HA H 83 4.314 4.543 -0.229 1 1 470 . 5 1 1 A 41 41 ASP C C 83 176.943 177.288 -0.345 1 1 471 . 5 1 1 A 41 41 ASP CA C 83 56.797 56.001 0.796 1 1 472 . 5 1 1 A 41 41 ASP CB C 83 38.047 40.350 -2.303 1 1 473 . 5 1 1 A 41 41 ASP N N 83 118.710 122.318 -3.608 1 1 474 . 5 1 1 A 42 42 GLU H H 84 8.228 8.109 0.119 1 1 475 . 5 1 1 A 42 42 GLU HA H 84 4.336 4.210 0.126 1 1 480 . 5 1 1 A 42 42 GLU C C 84 177.827 177.820 0.007 1 1 481 . 5 1 1 A 42 42 GLU CA C 84 58.204 58.478 -0.274 1 1 482 . 5 1 1 A 42 42 GLU CB C 84 29.141 30.109 -0.968 1 1 484 . 5 1 1 A 42 42 GLU N N 84 115.213 119.828 -4.615 1 1 485 . 5 1 1 A 43 43 THR H H 85 7.510 7.855 -0.345 1 1 486 . 5 1 1 A 43 43 THR HA H 85 4.664 4.586 0.078 1 1 491 . 5 1 1 A 43 43 THR C C 85 175.799 175.514 0.285 1 1 492 . 5 1 1 A 43 43 THR CA C 85 61.395 61.001 0.394 1 1 493 . 5 1 1 A 43 43 THR CB C 85 70.391 69.413 0.978 1 1 495 . 5 1 1 A 43 43 THR N N 85 108.315 113.397 -5.082 1 1 496 . 5 1 1 A 44 44 MET H H 86 7.900 8.388 -0.488 1 1 497 . 5 1 1 A 44 44 MET HA H 86 3.820 4.274 -0.454 1 1 505 . 5 1 1 A 44 44 MET C C 86 176.605 178.769 -2.164 1 1 506 . 5 1 1 A 44 44 MET CA C 86 60.547 58.028 2.519 1 1 507 . 5 1 1 A 44 44 MET CB C 86 32.422 32.135 0.287 1 1 510 . 5 1 1 A 44 44 MET N N 86 121.500 119.969 1.531 1 1 511 . 5 1 1 A 45 45 ILE H H 87 8.430 7.955 0.475 1 1 512 . 5 1 1 A 45 45 ILE HA H 87 3.686 3.777 -0.091 1 1 522 . 5 1 1 A 45 45 ILE C C 87 177.773 178.048 -0.275 1 1 523 . 5 1 1 A 45 45 ILE CA C 87 62.934 65.056 -2.122 1 1 524 . 5 1 1 A 45 45 ILE CB C 87 34.766 37.874 -3.108 1 1 528 . 5 1 1 A 45 45 ILE N N 87 117.970 121.936 -3.966 1 1 529 . 5 1 1 A 46 46 THR H H 88 8.070 7.857 0.213 1 1 530 . 5 1 1 A 46 46 THR HA H 88 3.953 3.928 0.025 1 1 535 . 5 1 1 A 46 46 THR C C 88 177.011 176.285 0.726 1 1 536 . 5 1 1 A 46 46 THR CA C 88 66.640 66.320 0.320 1 1 537 . 5 1 1 A 46 46 THR CB C 88 68.000 68.403 -0.403 1 1 539 . 5 1 1 A 46 46 THR N N 88 116.920 115.525 1.395 1 1 540 . 5 1 1 A 47 47 ALA H H 89 7.710 7.754 -0.044 1 1 541 . 5 1 1 A 47 47 ALA HA H 89 4.240 4.148 0.092 1 1 545 . 5 1 1 A 47 47 ALA C C 89 174.356 179.679 -5.323 1 1 546 . 5 1 1 A 47 47 ALA CA C 89 55.094 55.249 -0.155 1 1 547 . 5 1 1 A 47 47 ALA CB C 89 18.828 18.572 0.256 1 1 548 . 5 1 1 A 47 47 ALA N N 89 123.490 123.712 -0.222 1 1 549 . 5 1 1 A 48 48 LEU H H 90 8.570 8.192 0.378 1 1 550 . 5 1 1 A 48 48 LEU HA H 90 3.445 3.994 -0.549 1 1 560 . 5 1 1 A 48 48 LEU C C 90 178.088 179.416 -1.328 1 1 561 . 5 1 1 A 48 48 LEU CA C 90 67.110 58.227 8.883 1 1 562 . 5 1 1 A 48 48 LEU CB C 90 31.420 42.075 -10.655 1 1 566 . 5 1 1 A 48 48 LEU N N 90 119.800 118.030 1.770 1 1 567 . 5 1 1 A 49 49 ASN H H 91 8.979 8.862 0.117 1 1 568 . 5 1 1 A 49 49 ASN HA H 91 4.494 4.477 0.017 1 1 571 . 5 1 1 A 49 49 ASN C C 91 178.227 178.144 0.083 1 1 572 . 5 1 1 A 49 49 ASN CA C 91 54.397 56.393 -1.996 1 1 573 . 5 1 1 A 49 49 ASN CB C 91 37.578 37.900 -0.322 1 1 574 . 5 1 1 A 49 49 ASN N N 91 117.500 117.220 0.280 1 1 575 . 5 1 1 A 50 50 ALA H H 92 7.710 7.772 -0.062 1 1 576 . 5 1 1 A 50 50 ALA HA H 92 4.232 4.056 0.176 1 1 580 . 5 1 1 A 50 50 ALA C C 92 180.155 179.847 0.308 1 1 581 . 5 1 1 A 50 50 ALA CA C 92 54.886 55.192 -0.306 1 1 582 . 5 1 1 A 50 50 ALA CB C 92 17.962 18.757 -0.795 1 1 583 . 5 1 1 A 50 50 ALA N N 92 120.900 123.039 -2.139 1 1 584 . 5 1 1 A 51 51 LEU H H 93 7.670 8.234 -0.564 1 1 585 . 5 1 1 A 51 51 LEU HA H 93 4.340 3.970 0.370 1 1 595 . 5 1 1 A 51 51 LEU C C 93 179.407 179.573 -0.166 1 1 596 . 5 1 1 A 51 51 LEU CA C 93 56.829 57.965 -1.136 1 1 597 . 5 1 1 A 51 51 LEU CB C 93 42.734 42.465 0.269 1 1 601 . 5 1 1 A 51 51 LEU N N 93 117.980 118.044 -0.064 1 1 602 . 5 1 1 A 52 52 THR H H 94 8.530 8.218 0.312 1 1 603 . 5 1 1 A 52 52 THR HA H 94 4.437 4.206 0.231 1 1 608 . 5 1 1 A 52 52 THR C C 94 177.112 174.995 2.117 1 1 609 . 5 1 1 A 52 52 THR CA C 94 61.485 63.903 -2.418 1 1 610 . 5 1 1 A 52 52 THR CB C 94 70.860 70.079 0.781 1 1 612 . 5 1 1 A 52 52 THR N N 94 107.010 109.100 -2.090 1 1 613 . 5 1 1 A 53 53 GLU H H 95 8.001 8.092 -0.091 1 1 614 . 5 1 1 A 53 53 GLU HA H 95 4.062 4.147 -0.085 1 1 619 . 5 1 1 A 53 53 GLU C C 95 176.199 175.789 0.410 1 1 620 . 5 1 1 A 53 53 GLU CA C 95 56.797 57.441 -0.644 1 1 621 . 5 1 1 A 53 53 GLU CB C 95 26.346 28.545 -2.199 1 1 623 . 5 1 1 A 53 53 GLU N N 95 117.560 121.327 -3.767 1 1 624 . 5 1 1 A 54 54 GLY H H 96 8.349 8.462 -0.113 1 1 625 . 5 1 1 A 54 54 GLY HA2 H 96 4.120 3.860 0.260 1 1 626 . 5 1 1 A 54 54 GLY HA3 H 96 3.520 3.876 -0.356 1 1 627 . 5 1 1 A 54 54 GLY C C 96 174.264 174.086 0.178 1 1 628 . 5 1 1 A 54 54 GLY CA C 96 44.600 46.287 -1.687 1 1 629 . 5 1 1 A 54 54 GLY N N 96 105.347 105.343 0.004 1 1 630 . 5 1 1 A 55 55 LYS H H 97 7.400 7.698 -0.298 1 1 631 . 5 1 1 A 55 55 LYS HA H 97 4.386 4.443 -0.057 1 1 640 . 5 1 1 A 55 55 LYS C C 97 177.395 175.672 1.723 1 1 641 . 5 1 1 A 55 55 LYS CA C 97 56.797 55.291 1.506 1 1 642 . 5 1 1 A 55 55 LYS CB C 97 30.522 33.246 -2.724 1 1 646 . 5 1 1 A 55 55 LYS N N 97 120.080 120.331 -0.251 1 1 647 . 5 1 1 A 56 56 LYS H H 98 8.510 8.482 0.028 1 1 648 . 5 1 1 A 56 56 LYS HA H 98 3.940 4.360 -0.420 1 1 657 . 5 1 1 A 56 56 LYS C C 98 176.420 178.403 -1.983 1 1 658 . 5 1 1 A 56 56 LYS CA C 98 56.741 57.287 -0.546 1 1 659 . 5 1 1 A 56 56 LYS CB C 98 30.079 32.730 -2.651 1 1 663 . 5 1 1 A 56 56 LYS N N 98 126.202 124.999 1.203 1 1 664 . 5 1 1 A 57 57 ASP H H 99 8.510 8.197 0.313 1 1 665 . 5 1 1 A 57 57 ASP HA H 99 4.570 4.371 0.199 1 1 668 . 5 1 1 A 57 57 ASP C C 99 174.777 177.523 -2.746 1 1 669 . 5 1 1 A 57 57 ASP CA C 99 52.991 57.588 -4.597 1 1 670 . 5 1 1 A 57 57 ASP CB C 99 38.516 40.471 -1.955 1 1 671 . 5 1 1 A 57 57 ASP N N 99 116.900 119.532 -2.632 1 1 672 . 5 1 1 A 58 58 THR H H 100 7.400 7.683 -0.283 1 1 673 . 5 1 1 A 58 58 THR HA H 100 3.971 4.216 -0.245 1 1 678 . 5 1 1 A 58 58 THR C C 100 172.742 174.504 -1.762 1 1 679 . 5 1 1 A 58 58 THR CA C 100 63.360 64.344 -0.984 1 1 680 . 5 1 1 A 58 58 THR CB C 100 70.391 69.375 1.016 1 1 682 . 5 1 1 A 58 58 THR N N 100 117.350 115.270 2.080 1 1 683 . 5 1 1 A 59 59 THR H H 101 8.414 8.601 -0.187 1 1 684 . 5 1 1 A 59 59 THR HA H 101 4.174 4.668 -0.494 1 1 689 . 5 1 1 A 59 59 THR C C 101 172.505 174.252 -1.747 1 1 690 . 5 1 1 A 59 59 THR CA C 101 63.829 63.877 -0.048 1 1 691 . 5 1 1 A 59 59 THR CB C 101 69.454 68.954 0.500 1 1 693 . 5 1 1 A 59 59 THR N N 101 123.260 121.924 1.336 1 1 694 . 5 1 1 A 60 60 ILE H H 102 8.190 8.697 -0.507 1 1 695 . 5 1 1 A 60 60 ILE HA H 102 4.399 5.083 -0.684 1 1 705 . 5 1 1 A 60 60 ILE C C 102 175.119 175.146 -0.027 1 1 706 . 5 1 1 A 60 60 ILE CA C 102 58.204 60.187 -1.983 1 1 707 . 5 1 1 A 60 60 ILE CB C 102 38.047 39.924 -1.877 1 1 711 . 5 1 1 A 60 60 ILE N N 102 126.467 128.020 -1.553 1 1 712 . 5 1 1 A 61 61 PHE H H 103 8.900 8.787 0.113 1 1 713 . 5 1 1 A 61 61 PHE HA H 103 5.204 5.314 -0.110 1 1 720 . 5 1 1 A 61 61 PHE C C 103 174.877 174.767 0.110 1 1 721 . 5 1 1 A 61 61 PHE CA C 103 57.266 56.568 0.698 1 1 722 . 5 1 1 A 61 61 PHE CB C 103 40.860 39.963 0.897 1 1 723 . 5 1 1 A 61 61 PHE N N 103 125.650 126.896 -1.246 1 1 724 . 5 1 1 A 62 62 PHE H H 104 9.110 8.708 0.402 1 1 725 . 5 1 1 A 62 62 PHE HA H 104 5.590 4.973 0.617 1 1 732 . 5 1 1 A 62 62 PHE C C 104 174.407 173.805 0.602 1 1 733 . 5 1 1 A 62 62 PHE CA C 104 54.922 56.739 -1.817 1 1 734 . 5 1 1 A 62 62 PHE CB C 104 41.300 40.321 0.979 1 1 735 . 5 1 1 A 62 62 PHE N N 104 123.447 124.264 -0.817 1 1 736 . 5 1 1 A 63 63 ARG H H 105 9.020 8.678 0.342 1 1 737 . 5 1 1 A 63 63 ARG HA H 105 4.830 4.985 -0.155 1 1 744 . 5 1 1 A 63 63 ARG C C 105 173.862 174.985 -1.123 1 1 745 . 5 1 1 A 63 63 ARG CA C 105 54.453 54.678 -0.225 1 1 746 . 5 1 1 A 63 63 ARG CB C 105 32.422 32.169 0.253 1 1 749 . 5 1 1 A 63 63 ARG N N 105 126.020 128.745 -2.725 1 1 750 . 5 1 1 A 64 64 ALA H H 106 8.640 8.836 -0.196 1 1 751 . 5 1 1 A 64 64 ALA HA H 106 5.223 4.875 0.348 1 1 755 . 5 1 1 A 64 64 ALA C C 106 176.565 176.216 0.349 1 1 756 . 5 1 1 A 64 64 ALA CA C 106 50.235 49.789 0.446 1 1 757 . 5 1 1 A 64 64 ALA CB C 106 22.110 22.889 -0.779 1 1 758 . 5 1 1 A 64 64 ALA N N 106 126.540 128.798 -2.258 1 1 759 . 5 1 1 A 65 65 ASP H H 107 7.900 8.359 -0.459 1 1 760 . 5 1 1 A 65 65 ASP HA H 107 4.685 4.541 0.144 1 1 763 . 5 1 1 A 65 65 ASP C C 107 176.987 177.396 -0.409 1 1 764 . 5 1 1 A 65 65 ASP CA C 107 54.453 54.674 -0.221 1 1 765 . 5 1 1 A 65 65 ASP CB C 107 42.209 41.673 0.536 1 1 766 . 5 1 1 A 65 65 ASP N N 107 121.600 119.785 1.815 1 1 767 . 5 1 1 A 66 66 LYS H H 108 8.700 8.883 -0.183 1 1 768 . 5 1 1 A 66 66 LYS HA H 108 4.221 4.179 0.042 1 1 777 . 5 1 1 A 66 66 LYS C C 108 177.007 177.994 -0.987 1 1 778 . 5 1 1 A 66 66 LYS CA C 108 58.682 58.623 0.059 1 1 779 . 5 1 1 A 66 66 LYS CB C 108 32.422 31.923 0.499 1 1 783 . 5 1 1 A 66 66 LYS N N 108 120.740 123.022 -2.282 1 1 784 . 5 1 1 A 67 67 THR H H 109 8.035 7.615 0.420 1 1 785 . 5 1 1 A 67 67 THR HA H 109 4.270 4.253 0.017 1 1 790 . 5 1 1 A 67 67 THR C C 109 175.031 175.105 -0.074 1 1 791 . 5 1 1 A 67 67 THR CA C 109 62.422 62.657 -0.235 1 1 792 . 5 1 1 A 67 67 THR CB C 109 68.985 69.373 -0.388 1 1 794 . 5 1 1 A 67 67 THR N N 109 108.086 109.235 -1.149 1 1 795 . 5 1 1 A 68 68 VAL H H 110 7.470 7.130 0.340 1 1 796 . 5 1 1 A 68 68 VAL HA H 110 3.960 3.969 -0.009 1 1 804 . 5 1 1 A 68 68 VAL C C 110 175.691 175.226 0.465 1 1 805 . 5 1 1 A 68 68 VAL CA C 110 63.360 63.569 -0.209 1 1 806 . 5 1 1 A 68 68 VAL CB C 110 32.422 31.997 0.425 1 1 809 . 5 1 1 A 68 68 VAL N N 110 123.270 124.873 -1.603 1 1 810 . 5 1 1 A 69 69 ASP H H 111 8.710 8.388 0.322 1 1 811 . 5 1 1 A 69 69 ASP HA H 111 4.645 5.122 -0.477 1 1 814 . 5 1 1 A 69 69 ASP C C 111 176.150 176.729 -0.579 1 1 815 . 5 1 1 A 69 69 ASP CA C 111 53.989 53.103 0.886 1 1 816 . 5 1 1 A 69 69 ASP CB C 111 41.328 42.883 -1.555 1 1 817 . 5 1 1 A 69 69 ASP N N 111 126.170 127.032 -0.862 1 1 818 . 5 1 1 A 70 70 TYR H H 112 8.840 9.109 -0.269 1 1 819 . 5 1 1 A 70 70 TYR HA H 112 4.056 4.173 -0.117 1 1 826 . 5 1 1 A 70 70 TYR C C 112 177.075 177.645 -0.570 1 1 827 . 5 1 1 A 70 70 TYR CA C 112 61.890 62.165 -0.275 1 1 828 . 5 1 1 A 70 70 TYR CB C 112 38.980 38.725 0.255 1 1 829 . 5 1 1 A 70 70 TYR N N 112 123.360 125.982 -2.622 1 1 830 . 5 1 1 A 71 71 GLU H H 113 8.550 8.098 0.452 1 1 831 . 5 1 1 A 71 71 GLU HA H 113 3.904 3.829 0.075 1 1 836 . 5 1 1 A 71 71 GLU C C 113 179.338 179.071 0.267 1 1 837 . 5 1 1 A 71 71 GLU CA C 113 59.610 58.921 0.689 1 1 838 . 5 1 1 A 71 71 GLU CB C 113 27.765 29.025 -1.260 1 1 840 . 5 1 1 A 71 71 GLU N N 113 116.730 119.128 -2.398 1 1 841 . 5 1 1 A 72 72 THR H H 114 7.780 7.801 -0.021 1 1 842 . 5 1 1 A 72 72 THR HA H 114 4.320 3.998 0.322 1 1 847 . 5 1 1 A 72 72 THR C C 114 175.987 176.784 -0.797 1 1 848 . 5 1 1 A 72 72 THR CA C 114 67.579 67.082 0.497 1 1 849 . 5 1 1 A 72 72 THR CB C 114 66.640 68.637 -1.997 1 1 851 . 5 1 1 A 72 72 THR N N 114 117.340 118.218 -0.878 1 1 852 . 5 1 1 A 73 73 LEU H H 115 7.570 7.698 -0.128 1 1 853 . 5 1 1 A 73 73 LEU HA H 115 3.838 4.034 -0.196 1 1 863 . 5 1 1 A 73 73 LEU C C 115 178.670 178.502 0.168 1 1 864 . 5 1 1 A 73 73 LEU CA C 115 58.203 57.813 0.390 1 1 865 . 5 1 1 A 73 73 LEU CB C 115 40.860 41.239 -0.379 1 1 868 . 5 1 1 A 73 73 LEU N N 115 120.510 117.570 2.940 1 1 869 . 5 1 1 A 74 74 MET H H 116 8.280 7.579 0.701 1 1 870 . 5 1 1 A 74 74 MET HA H 116 4.100 4.102 -0.002 1 1 878 . 5 1 1 A 74 74 MET C C 116 178.503 178.086 0.417 1 1 879 . 5 1 1 A 74 74 MET CA C 116 57.210 57.987 -0.777 1 1 880 . 5 1 1 A 74 74 MET CB C 116 32.400 31.919 0.481 1 1 883 . 5 1 1 A 74 74 MET N N 116 116.240 118.879 -2.639 1 1 884 . 5 1 1 A 75 75 LYS H H 117 7.755 7.540 0.215 1 1 885 . 5 1 1 A 75 75 LYS HA H 117 4.146 3.988 0.158 1 1 894 . 5 1 1 A 75 75 LYS C C 117 173.559 179.331 -5.772 1 1 895 . 5 1 1 A 75 75 LYS CA C 117 59.610 59.204 0.406 1 1 896 . 5 1 1 A 75 75 LYS CB C 117 31.495 32.643 -1.148 1 1 900 . 5 1 1 A 75 75 LYS N N 117 120.230 118.913 1.317 1 1 901 . 5 1 1 A 76 76 VAL H H 118 7.880 7.459 0.421 1 1 902 . 5 1 1 A 76 76 VAL HA H 118 3.598 3.822 -0.224 1 1 910 . 5 1 1 A 76 76 VAL C C 118 178.205 177.957 0.248 1 1 911 . 5 1 1 A 76 76 VAL CA C 118 66.641 64.995 1.646 1 1 912 . 5 1 1 A 76 76 VAL CB C 118 31.485 31.338 0.147 1 1 915 . 5 1 1 A 76 76 VAL N N 118 120.500 115.794 4.706 1 1 916 . 5 1 1 A 77 77 MET H H 119 8.262 8.074 0.188 1 1 917 . 5 1 1 A 77 77 MET HA H 119 3.904 4.016 -0.112 1 1 925 . 5 1 1 A 77 77 MET C C 119 178.200 177.727 0.473 1 1 926 . 5 1 1 A 77 77 MET CA C 119 59.610 58.149 1.461 1 1 927 . 5 1 1 A 77 77 MET CB C 119 32.422 31.692 0.730 1 1 930 . 5 1 1 A 77 77 MET N N 119 118.320 120.326 -2.006 1 1 931 . 5 1 1 A 78 78 ASP H H 120 8.720 7.729 0.991 1 1 932 . 5 1 1 A 78 78 ASP HA H 120 4.400 4.343 0.057 1 1 935 . 5 1 1 A 78 78 ASP C C 120 178.216 178.794 -0.578 1 1 936 . 5 1 1 A 78 78 ASP CA C 120 56.797 57.123 -0.326 1 1 937 . 5 1 1 A 78 78 ASP CB C 120 38.980 40.457 -1.477 1 1 938 . 5 1 1 A 78 78 ASP N N 120 117.800 119.200 -1.400 1 1 939 . 5 1 1 A 79 79 THR H H 121 8.040 7.796 0.244 1 1 940 . 5 1 1 A 79 79 THR HA H 121 3.939 3.990 -0.051 1 1 945 . 5 1 1 A 79 79 THR C C 121 176.582 177.196 -0.614 1 1 946 . 5 1 1 A 79 79 THR CA C 121 66.641 67.376 -0.735 1 1 947 . 5 1 1 A 79 79 THR CB C 121 68.516 68.440 0.076 1 1 949 . 5 1 1 A 79 79 THR N N 121 118.470 117.069 1.401 1 1 950 . 5 1 1 A 80 80 LEU H H 122 7.931 8.163 -0.232 1 1 951 . 5 1 1 A 80 80 LEU HA H 122 4.136 4.195 -0.059 1 1 961 . 5 1 1 A 80 80 LEU C C 122 178.936 179.258 -0.322 1 1 962 . 5 1 1 A 80 80 LEU CA C 122 58.672 57.956 0.716 1 1 963 . 5 1 1 A 80 80 LEU CB C 122 41.328 41.146 0.182 1 1 967 . 5 1 1 A 80 80 LEU N N 122 121.676 118.078 3.598 1 1 968 . 5 1 1 A 81 81 HIS H H 123 8.825 7.888 0.937 1 1 969 . 5 1 1 A 81 81 HIS HA H 123 4.455 4.210 0.245 1 1 974 . 5 1 1 A 81 81 HIS C C 123 179.780 178.361 1.419 1 1 975 . 5 1 1 A 81 81 HIS CA C 123 57.732 59.514 -1.782 1 1 976 . 5 1 1 A 81 81 HIS CB C 123 28.672 29.909 -1.237 1 1 977 . 5 1 1 A 81 81 HIS N N 123 117.910 118.645 -0.735 1 1 978 . 5 1 1 A 82 82 GLN H H 124 8.740 8.103 0.637 1 1 979 . 5 1 1 A 82 82 GLN HA H 124 4.092 4.065 0.027 1 1 984 . 5 1 1 A 82 82 GLN C C 124 177.091 176.856 0.235 1 1 985 . 5 1 1 A 82 82 GLN CA C 124 58.672 57.863 0.809 1 1 986 . 5 1 1 A 82 82 GLN CB C 124 28.204 28.130 0.074 1 1 988 . 5 1 1 A 82 82 GLN N N 124 120.420 116.711 3.709 1 1 989 . 5 1 1 A 83 83 ALA H H 125 7.330 7.376 -0.046 1 1 990 . 5 1 1 A 83 83 ALA HA H 125 4.495 4.323 0.172 1 1 994 . 5 1 1 A 83 83 ALA C C 125 176.371 177.954 -1.583 1 1 995 . 5 1 1 A 83 83 ALA CA C 125 52.110 51.643 0.467 1 1 996 . 5 1 1 A 83 83 ALA CB C 125 19.756 18.694 1.062 1 1 997 . 5 1 1 A 83 83 ALA N N 125 119.130 120.733 -1.603 1 1 998 . 5 1 1 A 84 84 GLY H H 126 7.780 8.138 -0.358 1 1 999 . 5 1 1 A 84 84 GLY HA2 H 126 4.111 3.811 0.300 1 1 1000 . 5 1 1 A 84 84 GLY HA3 H 126 3.505 3.894 -0.389 1 1 1001 . 5 1 1 A 84 84 GLY C C 126 173.562 173.815 -0.253 1 1 1002 . 5 1 1 A 84 84 GLY CA C 126 44.610 45.859 -1.249 1 1 1003 . 5 1 1 A 84 84 GLY N N 126 104.120 107.575 -3.455 1 1 1004 . 5 1 1 A 85 85 TYR H H 127 7.910 8.360 -0.450 1 1 1005 . 5 1 1 A 85 85 TYR HA H 127 4.551 4.160 0.391 1 1 1012 . 5 1 1 A 85 85 TYR C C 127 177.192 175.775 1.417 1 1 1013 . 5 1 1 A 85 85 TYR CA C 127 59.610 58.036 1.574 1 1 1014 . 5 1 1 A 85 85 TYR CB C 127 37.110 36.547 0.563 1 1 1015 . 5 1 1 A 85 85 TYR N N 127 120.310 120.939 -0.629 1 1 1016 . 5 1 1 A 86 86 LEU H H 128 7.835 8.254 -0.419 1 1 1017 . 5 1 1 A 86 86 LEU HA H 128 4.357 4.478 -0.121 1 1 1027 . 5 1 1 A 86 86 LEU C C 128 178.503 176.111 2.392 1 1 1028 . 5 1 1 A 86 86 LEU CA C 128 54.456 54.441 0.015 1 1 1029 . 5 1 1 A 86 86 LEU CB C 128 43.203 42.433 0.770 1 1 1033 . 5 1 1 A 86 86 LEU N N 128 120.100 121.510 -1.410 1 1 1034 . 5 1 1 A 87 87 LYS H H 129 9.330 7.858 1.472 1 1 1035 . 5 1 1 A 87 87 LYS HA H 129 4.512 4.589 -0.077 1 1 1044 . 5 1 1 A 87 87 LYS C C 129 173.251 174.919 -1.668 1 1 1045 . 5 1 1 A 87 87 LYS CA C 129 54.922 55.372 -0.450 1 1 1046 . 5 1 1 A 87 87 LYS CB C 129 31.000 33.411 -2.411 1 1 1050 . 5 1 1 A 87 87 LYS N N 129 125.180 118.716 6.464 1 1 1051 . 5 1 1 A 88 88 ILE H H 130 7.589 8.458 -0.869 1 1 1052 . 5 1 1 A 88 88 ILE HA H 130 5.015 4.821 0.194 1 1 1062 . 5 1 1 A 88 88 ILE C C 130 176.481 175.773 0.708 1 1 1063 . 5 1 1 A 88 88 ILE CA C 130 58.672 59.710 -1.038 1 1 1064 . 5 1 1 A 88 88 ILE CB C 130 40.391 38.727 1.664 1 1 1068 . 5 1 1 A 88 88 ILE N N 130 122.487 125.621 -3.134 1 1 1069 . 5 1 1 A 89 89 GLY H H 131 8.960 8.788 0.172 1 1 1070 . 5 1 1 A 89 89 GLY HA2 H 131 4.543 3.073 1.470 1 1 1071 . 5 1 1 A 89 89 GLY HA3 H 131 3.488 3.716 -0.228 1 1 1072 . 5 1 1 A 89 89 GLY C C 131 171.936 172.065 -0.129 1 1 1073 . 5 1 1 A 89 89 GLY CA C 131 44.610 44.757 -0.147 1 1 1074 . 5 1 1 A 89 89 GLY N N 131 115.300 115.680 -0.380 1 1 1075 . 5 1 1 A 90 90 LEU H H 132 8.610 8.892 -0.282 1 1 1076 . 5 1 1 A 90 90 LEU HA H 132 5.061 4.725 0.336 1 1 1086 . 5 1 1 A 90 90 LEU C C 132 177.246 176.621 0.625 1 1 1087 . 5 1 1 A 90 90 LEU CA C 132 54.453 53.480 0.973 1 1 1088 . 5 1 1 A 90 90 LEU CB C 132 42.735 42.072 0.663 1 1 1092 . 5 1 1 A 90 90 LEU N N 132 124.560 124.217 0.343 1 1 1093 . 5 1 1 A 91 91 VAL H H 133 8.630 8.644 -0.014 1 1 1094 . 5 1 1 A 91 91 VAL HA H 133 4.299 4.253 0.046 1 1 1102 . 5 1 1 A 91 91 VAL C C 133 176.296 175.430 0.866 1 1 1103 . 5 1 1 A 91 91 VAL CA C 133 61.953 63.038 -1.085 1 1 1104 . 5 1 1 A 91 91 VAL CB C 133 33.360 32.161 1.199 1 1 1107 . 5 1 1 A 91 91 VAL N N 133 123.280 126.650 -3.370 1 1 1108 . 5 1 1 A 92 92 GLY H H 134 8.620 8.736 -0.116 1 1 1109 . 5 1 1 A 92 92 GLY HA2 H 134 4.154 4.241 -0.087 1 1 1110 . 5 1 1 A 92 92 GLY HA3 H 134 4.007 4.254 -0.247 1 1 1111 . 5 1 1 A 92 92 GLY C C 134 174.157 173.709 0.448 1 1 1112 . 5 1 1 A 92 92 GLY CA C 134 45.097 44.763 0.334 1 1 1113 . 5 1 1 A 92 92 GLY N N 134 112.500 114.010 -1.510 1 1 1114 . 5 1 1 A 93 93 GLU H H 135 8.278 8.463 -0.185 1 1 1115 . 5 1 1 A 93 93 GLU HA H 135 4.387 4.597 -0.210 1 1 1120 . 5 1 1 A 93 93 GLU C C 135 176.500 176.206 0.294 1 1 1121 . 5 1 1 A 93 93 GLU CA C 135 56.797 55.507 1.290 1 1 1122 . 5 1 1 A 93 93 GLU CB C 135 29.141 29.034 0.107 1 1 1124 . 5 1 1 A 93 93 GLU N N 135 119.460 119.410 0.050 1 1 1125 . 5 1 1 A 94 94 GLU H H 136 8.680 8.147 0.533 1 1 1126 . 5 1 1 A 94 94 GLU HA H 136 4.387 4.386 0.001 1 1 1131 . 5 1 1 A 94 94 GLU C C 136 176.970 174.494 2.476 1 1 1132 . 5 1 1 A 94 94 GLU CA C 136 56.797 56.854 -0.057 1 1 1133 . 5 1 1 A 94 94 GLU CB C 136 29.141 29.152 -0.011 1 1 1135 . 5 1 1 A 94 94 GLU N N 136 121.740 119.043 2.697 1 1 1136 . 5 1 1 A 95 95 THR H H 137 8.221 8.286 -0.065 1 1 1137 . 5 1 1 A 95 95 THR HA H 137 4.228 4.994 -0.766 1 1 1142 . 5 1 1 A 95 95 THR C C 137 174.880 172.244 2.636 1 1 1143 . 5 1 1 A 95 95 THR CA C 137 62.422 59.629 2.793 1 1 1144 . 5 1 1 A 95 95 THR CB C 137 69.454 71.373 -1.919 1 1 1146 . 5 1 1 A 95 95 THR N N 137 115.380 117.260 -1.880 1 1 1147 . 5 1 1 A 96 96 ALA H H 138 8.311 8.570 -0.259 1 1 1148 . 5 1 1 A 96 96 ALA HA H 138 4.233 4.702 -0.469 1 1 1152 . 5 1 1 A 96 96 ALA C C 138 178.469 176.758 1.711 1 1 1153 . 5 1 1 A 96 96 ALA CA C 138 53.516 50.707 2.809 1 1 1154 . 5 1 1 A 96 96 ALA CB C 138 18.828 22.261 -3.433 1 1 1155 . 5 1 1 A 96 96 ALA N N 138 125.688 125.667 0.021 1 1 1156 . 5 1 1 A 97 97 LYS H H 139 8.210 8.673 -0.463 1 1 1157 . 5 1 1 A 97 97 LYS HA H 139 4.163 4.291 -0.128 1 1 1166 . 5 1 1 A 97 97 LYS C C 139 177.154 174.355 2.799 1 1 1167 . 5 1 1 A 97 97 LYS CA C 139 57.265 56.651 0.614 1 1 1168 . 5 1 1 A 97 97 LYS CB C 139 32.891 31.977 0.914 1 1 1172 . 5 1 1 A 97 97 LYS N N 139 120.110 117.722 2.388 1 1 1173 . 5 1 1 A 98 98 ALA H H 140 8.170 8.641 -0.471 1 1 1174 . 5 1 1 A 98 98 ALA HA H 140 4.209 4.959 -0.750 1 1 1178 . 5 1 1 A 98 98 ALA C C 140 178.469 175.397 3.072 1 1 1179 . 5 1 1 A 98 98 ALA CA C 140 53.516 51.136 2.380 1 1 1180 . 5 1 1 A 98 98 ALA CB C 140 18.828 23.824 -4.996 1 1 1181 . 5 1 1 A 98 98 ALA N N 140 124.210 122.441 1.769 1 1 1 . 6 1 1 A 2 2 ASP H H 44 8.930 8.016 0.914 1 1 2 . 6 1 1 A 2 2 ASP HA H 44 4.860 4.605 0.255 1 1 5 . 6 1 1 A 2 2 ASP C C 44 175.278 175.725 -0.447 1 1 6 . 6 1 1 A 2 2 ASP CA C 44 53.516 54.775 -1.259 1 1 7 . 6 1 1 A 2 2 ASP CB C 44 39.397 41.698 -2.301 1 1 8 . 6 1 1 A 2 2 ASP N N 44 122.920 121.765 1.155 1 1 9 . 6 1 1 A 3 3 VAL H H 45 8.329 8.435 -0.106 1 1 10 . 6 1 1 A 3 3 VAL HA H 45 4.120 4.213 -0.093 1 1 18 . 6 1 1 A 3 3 VAL C C 45 175.938 175.736 0.202 1 1 19 . 6 1 1 A 3 3 VAL CA C 45 62.422 62.136 0.286 1 1 20 . 6 1 1 A 3 3 VAL CB C 45 32.300 32.235 0.065 1 1 23 . 6 1 1 A 3 3 VAL N N 45 121.541 121.063 0.478 1 1 24 . 6 1 1 A 4 4 LYS H H 46 8.400 8.843 -0.443 1 1 25 . 6 1 1 A 4 4 LYS HA H 46 4.387 4.982 -0.595 1 1 34 . 6 1 1 A 4 4 LYS C C 46 176.333 175.446 0.887 1 1 35 . 6 1 1 A 4 4 LYS CA C 46 56.270 54.986 1.284 1 1 36 . 6 1 1 A 4 4 LYS CB C 46 32.874 34.580 -1.706 1 1 40 . 6 1 1 A 4 4 LYS N N 46 125.410 124.584 0.826 1 1 42 . 6 1 1 A 5 5 VAL H H 47 8.190 8.508 -0.318 1 1 43 . 6 1 1 A 5 5 VAL HA H 47 4.118 4.258 -0.140 1 1 51 . 6 1 1 A 5 5 VAL C C 47 175.567 174.702 0.865 1 1 52 . 6 1 1 A 5 5 VAL CA C 47 61.954 62.630 -0.676 1 1 53 . 6 1 1 A 5 5 VAL CB C 47 32.443 32.313 0.130 1 1 56 . 6 1 1 A 5 5 VAL N N 47 121.672 123.367 -1.695 1 1 57 . 6 1 1 A 6 6 ASN H H 48 8.571 8.681 -0.110 1 1 58 . 6 1 1 A 6 6 ASN HA H 48 4.750 5.472 -0.722 1 1 61 . 6 1 1 A 6 6 ASN C C 48 174.566 173.733 0.833 1 1 62 . 6 1 1 A 6 6 ASN CA C 48 53.047 51.912 1.135 1 1 63 . 6 1 1 A 6 6 ASN CB C 48 38.901 42.656 -3.755 1 1 64 . 6 1 1 A 6 6 ASN N N 48 123.230 126.414 -3.184 1 1 65 . 6 1 1 A 7 7 LEU H H 49 8.286 8.647 -0.361 1 1 66 . 6 1 1 A 7 7 LEU HA H 49 4.632 4.911 -0.279 1 1 76 . 6 1 1 A 7 7 LEU C C 49 175.162 175.335 -0.173 1 1 77 . 6 1 1 A 7 7 LEU CA C 49 53.047 51.855 1.192 1 1 78 . 6 1 1 A 7 7 LEU CB C 49 41.825 41.812 0.013 1 1 82 . 6 1 1 A 7 7 LEU N N 49 124.491 118.945 5.546 1 1 83 . 6 1 1 A 8 8 PRO HA H 50 4.443 4.691 -0.248 1 1 90 . 6 1 1 A 8 8 PRO C C 50 176.734 175.764 0.970 1 1 91 . 6 1 1 A 8 8 PRO CA C 50 62.903 62.666 0.237 1 1 92 . 6 1 1 A 8 8 PRO CB C 50 31.839 32.781 -0.942 1 1 95 . 6 1 1 A 9 9 ALA H H 51 8.424 8.574 -0.150 1 1 96 . 6 1 1 A 9 9 ALA HA H 51 4.330 4.708 -0.378 1 1 100 . 6 1 1 A 9 9 ALA C C 51 178.124 176.245 1.879 1 1 101 . 6 1 1 A 9 9 ALA CA C 51 52.578 51.805 0.773 1 1 102 . 6 1 1 A 9 9 ALA CB C 51 19.297 18.868 0.429 1 1 103 . 6 1 1 A 9 9 ALA N N 51 124.364 123.059 1.305 1 1 104 . 6 1 1 A 10 10 SER H H 52 8.380 8.778 -0.398 1 1 105 . 6 1 1 A 10 10 SER HA H 52 4.223 5.172 -0.949 1 1 108 . 6 1 1 A 10 10 SER C C 52 174.982 173.146 1.836 1 1 109 . 6 1 1 A 10 10 SER CA C 52 58.672 57.536 1.136 1 1 110 . 6 1 1 A 10 10 SER CB C 52 63.829 65.143 -1.314 1 1 111 . 6 1 1 A 10 10 SER N N 52 114.800 117.390 -2.590 1 1 112 . 6 1 1 A 11 11 THR H H 53 8.227 8.746 -0.519 1 1 113 . 6 1 1 A 11 11 THR HA H 53 4.478 4.759 -0.281 1 1 118 . 6 1 1 A 11 11 THR C C 53 174.612 171.900 2.712 1 1 119 . 6 1 1 A 11 11 THR CA C 53 61.922 60.931 0.991 1 1 120 . 6 1 1 A 11 11 THR CB C 53 69.922 70.484 -0.562 1 1 122 . 6 1 1 A 11 11 THR N N 53 115.236 118.922 -3.686 1 1 123 . 6 1 1 A 12 12 SER H H 54 8.330 8.687 -0.357 1 1 124 . 6 1 1 A 12 12 SER HA H 54 4.559 5.064 -0.505 1 1 127 . 6 1 1 A 12 12 SER C C 54 174.299 172.915 1.384 1 1 128 . 6 1 1 A 12 12 SER CA C 54 58.204 57.254 0.950 1 1 129 . 6 1 1 A 12 12 SER CB C 54 63.891 65.856 -1.965 1 1 130 . 6 1 1 A 12 12 SER N N 54 117.770 119.624 -1.854 1 1 131 . 6 1 1 A 13 13 THR H H 55 8.274 8.838 -0.564 1 1 132 . 6 1 1 A 13 13 THR HA H 55 4.624 4.980 -0.356 1 1 137 . 6 1 1 A 13 13 THR C C 55 170.400 172.415 -2.015 1 1 138 . 6 1 1 A 13 13 THR CA C 55 60.079 58.439 1.640 1 1 139 . 6 1 1 A 13 13 THR CB C 55 69.922 69.937 -0.015 1 1 141 . 6 1 1 A 13 13 THR N N 55 118.865 114.618 4.247 1 1 142 . 6 1 1 A 14 14 PRO HA H 56 4.458 4.697 -0.239 1 1 149 . 6 1 1 A 14 14 PRO C C 56 176.748 175.542 1.206 1 1 150 . 6 1 1 A 14 14 PRO CA C 56 63.076 62.716 0.360 1 1 151 . 6 1 1 A 14 14 PRO CB C 56 32.043 33.161 -1.118 1 1 154 . 6 1 1 A 15 15 GLN H H 57 8.547 8.600 -0.053 1 1 155 . 6 1 1 A 15 15 GLN HA H 57 4.620 4.688 -0.068 1 1 160 . 6 1 1 A 15 15 GLN CA C 57 53.600 53.383 0.217 1 1 161 . 6 1 1 A 15 15 GLN CB C 57 29.141 29.073 0.068 1 1 163 . 6 1 1 A 15 15 GLN N N 57 122.041 122.637 -0.596 1 1 165 . 6 1 1 A 16 16 PRO HA H 58 4.458 4.689 -0.231 1 1 172 . 6 1 1 A 16 16 PRO C C 58 176.620 175.454 1.166 1 1 173 . 6 1 1 A 16 16 PRO CA C 58 62.872 62.712 0.160 1 1 174 . 6 1 1 A 16 16 PRO CB C 58 32.111 33.362 -1.251 1 1 177 . 6 1 1 A 17 17 ARG H H 59 8.511 8.512 -0.001 1 1 178 . 6 1 1 A 17 17 ARG HA H 59 4.643 4.725 -0.082 1 1 185 . 6 1 1 A 17 17 ARG CA C 59 53.985 53.220 0.765 1 1 186 . 6 1 1 A 17 17 ARG CB C 59 30.195 34.271 -4.076 1 1 189 . 6 1 1 A 17 17 ARG N N 59 122.731 119.969 2.762 1 1 190 . 6 1 1 A 18 18 PRO HA H 60 4.458 4.707 -0.249 1 1 197 . 6 1 1 A 18 18 PRO C C 60 176.892 175.246 1.646 1 1 198 . 6 1 1 A 18 18 PRO CA C 60 62.940 62.719 0.221 1 1 199 . 6 1 1 A 18 18 PRO CB C 60 32.891 32.993 -0.102 1 1 202 . 6 1 1 A 19 19 GLU H H 61 8.480 8.479 0.001 1 1 203 . 6 1 1 A 19 19 GLU HA H 61 4.391 4.847 -0.456 1 1 208 . 6 1 1 A 19 19 GLU C C 61 176.174 175.313 0.861 1 1 209 . 6 1 1 A 19 19 GLU CA C 61 54.922 55.407 -0.485 1 1 210 . 6 1 1 A 19 19 GLU CB C 61 29.141 31.038 -1.897 1 1 212 . 6 1 1 A 19 19 GLU N N 61 120.840 120.540 0.300 1 1 213 . 6 1 1 A 20 20 LYS H H 62 8.502 9.025 -0.523 1 1 214 . 6 1 1 A 20 20 LYS HA H 62 4.620 5.079 -0.459 1 1 223 . 6 1 1 A 20 20 LYS C C 62 171.420 174.348 -2.928 1 1 224 . 6 1 1 A 20 20 LYS CA C 62 54.827 53.297 1.530 1 1 225 . 6 1 1 A 20 20 LYS CB C 62 32.422 35.172 -2.750 1 1 229 . 6 1 1 A 20 20 LYS N N 62 125.117 120.430 4.687 1 1 230 . 6 1 1 A 21 21 PRO HA H 63 4.448 4.573 -0.125 1 1 237 . 6 1 1 A 21 21 PRO CA C 63 62.261 62.474 -0.213 1 1 238 . 6 1 1 A 21 21 PRO CB C 63 32.422 32.220 0.202 1 1 241 . 6 1 1 A 22 22 VAL H H 64 8.570 8.576 -0.006 1 1 242 . 6 1 1 A 22 22 VAL HA H 64 4.097 4.398 -0.301 1 1 250 . 6 1 1 A 22 22 VAL C C 64 173.862 174.266 -0.404 1 1 251 . 6 1 1 A 22 22 VAL CA C 64 61.000 61.600 -0.600 1 1 252 . 6 1 1 A 22 22 VAL CB C 64 33.770 32.743 1.027 1 1 255 . 6 1 1 A 22 22 VAL N N 64 120.453 121.429 -0.976 1 1 256 . 6 1 1 A 23 23 TYR H H 65 8.600 8.945 -0.345 1 1 257 . 6 1 1 A 23 23 TYR HA H 65 5.207 5.392 -0.185 1 1 264 . 6 1 1 A 23 23 TYR C C 65 174.916 173.932 0.984 1 1 265 . 6 1 1 A 23 23 TYR CA C 65 57.210 56.000 1.210 1 1 266 . 6 1 1 A 23 23 TYR CB C 65 39.454 41.846 -2.392 1 1 267 . 6 1 1 A 23 23 TYR N N 65 124.580 128.572 -3.992 1 1 268 . 6 1 1 A 24 24 LEU H H 66 9.186 9.331 -0.145 1 1 269 . 6 1 1 A 24 24 LEU HA H 66 5.261 4.891 0.370 1 1 279 . 6 1 1 A 24 24 LEU C C 66 175.491 176.033 -0.542 1 1 280 . 6 1 1 A 24 24 LEU CA C 66 53.516 54.203 -0.687 1 1 281 . 6 1 1 A 24 24 LEU CB C 66 45.078 42.925 2.153 1 1 285 . 6 1 1 A 24 24 LEU N N 66 128.669 129.765 -1.096 1 1 286 . 6 1 1 A 25 25 SER H H 67 9.300 8.744 0.556 1 1 287 . 6 1 1 A 25 25 SER HA H 67 5.637 5.318 0.319 1 1 290 . 6 1 1 A 25 25 SER C C 67 173.470 173.245 0.225 1 1 291 . 6 1 1 A 25 25 SER CA C 67 56.784 57.611 -0.827 1 1 292 . 6 1 1 A 25 25 SER CB C 67 65.267 65.465 -0.198 1 1 293 . 6 1 1 A 25 25 SER N N 67 120.290 117.774 2.516 1 1 294 . 6 1 1 A 26 26 VAL H H 68 8.600 8.800 -0.200 1 1 295 . 6 1 1 A 26 26 VAL HA H 68 4.847 5.300 -0.453 1 1 303 . 6 1 1 A 26 26 VAL C C 68 175.205 174.784 0.421 1 1 304 . 6 1 1 A 26 26 VAL CA C 68 60.950 60.420 0.530 1 1 305 . 6 1 1 A 26 26 VAL CB C 68 33.770 34.473 -0.703 1 1 308 . 6 1 1 A 26 26 VAL N N 68 123.723 124.674 -0.951 1 1 309 . 6 1 1 A 27 27 LYS H H 69 8.760 8.751 0.009 1 1 310 . 6 1 1 A 27 27 LYS HA H 69 4.630 4.861 -0.231 1 1 319 . 6 1 1 A 27 27 LYS C C 69 176.007 175.020 0.987 1 1 320 . 6 1 1 A 27 27 LYS CA C 69 62.400 55.019 7.381 1 1 321 . 6 1 1 A 27 27 LYS CB C 69 33.820 35.455 -1.635 1 1 325 . 6 1 1 A 27 27 LYS N N 69 126.000 123.217 2.783 1 1 326 . 6 1 1 A 28 28 ALA H H 70 8.728 9.276 -0.548 1 1 327 . 6 1 1 A 28 28 ALA HA H 70 4.018 4.005 0.013 1 1 331 . 6 1 1 A 28 28 ALA C C 70 177.852 176.604 1.248 1 1 332 . 6 1 1 A 28 28 ALA CA C 70 53.985 53.069 0.916 1 1 333 . 6 1 1 A 28 28 ALA CB C 70 19.297 17.974 1.323 1 1 334 . 6 1 1 A 28 28 ALA N N 70 124.480 122.266 2.214 1 1 335 . 6 1 1 A 29 29 ASP H H 71 8.256 8.973 -0.717 1 1 336 . 6 1 1 A 29 29 ASP HA H 71 4.497 4.277 0.220 1 1 339 . 6 1 1 A 29 29 ASP C C 71 176.455 175.310 1.145 1 1 340 . 6 1 1 A 29 29 ASP CA C 71 53.985 55.102 -1.117 1 1 341 . 6 1 1 A 29 29 ASP CB C 71 39.315 39.447 -0.132 1 1 342 . 6 1 1 A 29 29 ASP N N 71 118.722 123.220 -4.498 1 1 343 . 6 1 1 A 30 30 ASN H H 72 8.380 8.517 -0.137 1 1 344 . 6 1 1 A 30 30 ASN HA H 72 4.374 4.458 -0.084 1 1 349 . 6 1 1 A 30 30 ASN C C 72 174.641 174.589 0.052 1 1 350 . 6 1 1 A 30 30 ASN CA C 72 54.453 53.968 0.485 1 1 351 . 6 1 1 A 30 30 ASN CB C 72 37.579 37.065 0.514 1 1 352 . 6 1 1 A 30 30 ASN N N 72 113.000 116.179 -3.179 1 1 353 . 6 1 1 A 31 31 SER H H 73 7.710 7.701 0.009 1 1 354 . 6 1 1 A 31 31 SER HA H 73 4.404 4.975 -0.571 1 1 357 . 6 1 1 A 31 31 SER C C 73 172.527 173.770 -1.243 1 1 358 . 6 1 1 A 31 31 SER CA C 73 58.672 57.007 1.665 1 1 359 . 6 1 1 A 31 31 SER CB C 73 63.303 64.530 -1.227 1 1 360 . 6 1 1 A 31 31 SER N N 73 115.080 110.138 4.942 1 1 361 . 6 1 1 A 32 32 MET H H 74 8.065 8.595 -0.530 1 1 362 . 6 1 1 A 32 32 MET HA H 74 5.573 5.028 0.545 1 1 370 . 6 1 1 A 32 32 MET C C 74 174.974 175.642 -0.668 1 1 371 . 6 1 1 A 32 32 MET CA C 74 54.397 54.696 -0.299 1 1 372 . 6 1 1 A 32 32 MET CB C 74 37.579 32.068 5.511 1 1 375 . 6 1 1 A 32 32 MET N N 74 121.780 125.070 -3.290 1 1 376 . 6 1 1 A 33 33 PHE H H 75 8.900 9.180 -0.280 1 1 377 . 6 1 1 A 33 33 PHE HA H 75 5.190 4.960 0.230 1 1 384 . 6 1 1 A 33 33 PHE C C 75 175.228 174.394 0.834 1 1 385 . 6 1 1 A 33 33 PHE CA C 75 56.797 57.567 -0.770 1 1 386 . 6 1 1 A 33 33 PHE CB C 75 44.141 40.774 3.367 1 1 387 . 6 1 1 A 33 33 PHE N N 75 118.800 124.059 -5.259 1 1 388 . 6 1 1 A 34 34 ILE H H 76 8.830 8.496 0.334 1 1 389 . 6 1 1 A 34 34 ILE HA H 76 4.851 4.442 0.409 1 1 399 . 6 1 1 A 34 34 ILE C C 76 177.606 176.702 0.904 1 1 400 . 6 1 1 A 34 34 ILE CA C 76 59.610 60.940 -1.330 1 1 401 . 6 1 1 A 34 34 ILE CB C 76 37.990 38.123 -0.133 1 1 405 . 6 1 1 A 34 34 ILE N N 76 121.330 128.359 -7.029 1 1 406 . 6 1 1 A 35 35 GLY H H 77 9.177 8.729 0.448 1 1 407 . 6 1 1 A 35 35 GLY HA2 H 77 4.139 3.835 0.304 1 1 408 . 6 1 1 A 35 35 GLY HA3 H 77 3.742 3.838 -0.096 1 1 409 . 6 1 1 A 35 35 GLY C C 77 174.757 175.119 -0.362 1 1 410 . 6 1 1 A 35 35 GLY CA C 77 47.422 46.781 0.641 1 1 411 . 6 1 1 A 35 35 GLY N N 77 118.894 111.818 7.076 1 1 412 . 6 1 1 A 36 36 ASN H H 78 9.170 8.977 0.193 1 1 413 . 6 1 1 A 36 36 ASN HA H 78 4.846 4.407 0.439 1 1 416 . 6 1 1 A 36 36 ASN C C 78 174.867 174.065 0.802 1 1 417 . 6 1 1 A 36 36 ASN CA C 78 52.578 54.654 -2.076 1 1 418 . 6 1 1 A 36 36 ASN CB C 78 38.985 38.022 0.963 1 1 419 . 6 1 1 A 36 36 ASN N N 78 125.494 122.125 3.369 1 1 420 . 6 1 1 A 37 37 ASP H H 79 8.590 8.395 0.195 1 1 421 . 6 1 1 A 37 37 ASP HA H 79 5.330 5.127 0.203 1 1 424 . 6 1 1 A 37 37 ASP C C 79 173.009 172.967 0.042 1 1 425 . 6 1 1 A 37 37 ASP CA C 79 51.172 51.531 -0.359 1 1 426 . 6 1 1 A 37 37 ASP CB C 79 39.922 41.622 -1.700 1 1 427 . 6 1 1 A 37 37 ASP N N 79 121.409 118.398 3.011 1 1 428 . 6 1 1 A 38 38 PRO HA H 80 4.320 4.457 -0.137 1 1 435 . 6 1 1 A 38 38 PRO C C 80 176.862 176.292 0.570 1 1 436 . 6 1 1 A 38 38 PRO CA C 80 62.422 62.389 0.033 1 1 437 . 6 1 1 A 38 38 PRO CB C 80 32.890 31.647 1.243 1 1 440 . 6 1 1 A 39 39 VAL H H 81 8.001 8.083 -0.082 1 1 441 . 6 1 1 A 39 39 VAL HA H 81 4.522 4.951 -0.429 1 1 449 . 6 1 1 A 39 39 VAL C C 81 173.912 173.874 0.038 1 1 450 . 6 1 1 A 39 39 VAL CA C 81 59.141 59.365 -0.224 1 1 451 . 6 1 1 A 39 39 VAL CB C 81 36.172 36.580 -0.408 1 1 454 . 6 1 1 A 39 39 VAL N N 81 115.450 116.643 -1.193 1 1 455 . 6 1 1 A 40 40 THR H H 82 7.672 8.409 -0.737 1 1 456 . 6 1 1 A 40 40 THR HA H 82 4.746 4.683 0.063 1 1 461 . 6 1 1 A 40 40 THR C C 82 175.692 174.598 1.094 1 1 462 . 6 1 1 A 40 40 THR CA C 82 59.121 60.411 -1.290 1 1 463 . 6 1 1 A 40 40 THR CB C 82 72.735 72.080 0.655 1 1 465 . 6 1 1 A 40 40 THR N N 82 110.320 115.414 -5.094 1 1 466 . 6 1 1 A 41 41 ASP H H 83 9.370 8.982 0.388 1 1 467 . 6 1 1 A 41 41 ASP HA H 83 4.314 4.503 -0.189 1 1 470 . 6 1 1 A 41 41 ASP C C 83 176.943 177.185 -0.242 1 1 471 . 6 1 1 A 41 41 ASP CA C 83 56.797 56.121 0.676 1 1 472 . 6 1 1 A 41 41 ASP CB C 83 38.047 40.880 -2.833 1 1 473 . 6 1 1 A 41 41 ASP N N 83 118.710 124.038 -5.328 1 1 474 . 6 1 1 A 42 42 GLU H H 84 8.228 8.099 0.129 1 1 475 . 6 1 1 A 42 42 GLU HA H 84 4.336 4.209 0.127 1 1 480 . 6 1 1 A 42 42 GLU C C 84 177.827 177.823 0.004 1 1 481 . 6 1 1 A 42 42 GLU CA C 84 58.204 58.524 -0.320 1 1 482 . 6 1 1 A 42 42 GLU CB C 84 29.141 30.089 -0.948 1 1 484 . 6 1 1 A 42 42 GLU N N 84 115.213 119.517 -4.304 1 1 485 . 6 1 1 A 43 43 THR H H 85 7.510 7.851 -0.341 1 1 486 . 6 1 1 A 43 43 THR HA H 85 4.664 4.582 0.082 1 1 491 . 6 1 1 A 43 43 THR C C 85 175.799 175.418 0.381 1 1 492 . 6 1 1 A 43 43 THR CA C 85 61.395 60.864 0.531 1 1 493 . 6 1 1 A 43 43 THR CB C 85 70.391 69.401 0.990 1 1 495 . 6 1 1 A 43 43 THR N N 85 108.315 113.402 -5.087 1 1 496 . 6 1 1 A 44 44 MET H H 86 7.900 7.958 -0.058 1 1 497 . 6 1 1 A 44 44 MET HA H 86 3.820 4.255 -0.435 1 1 505 . 6 1 1 A 44 44 MET C C 86 176.605 178.399 -1.794 1 1 506 . 6 1 1 A 44 44 MET CA C 86 60.547 58.088 2.459 1 1 507 . 6 1 1 A 44 44 MET CB C 86 32.422 32.153 0.269 1 1 510 . 6 1 1 A 44 44 MET N N 86 121.500 120.228 1.272 1 1 511 . 6 1 1 A 45 45 ILE H H 87 8.430 7.906 0.524 1 1 512 . 6 1 1 A 45 45 ILE HA H 87 3.686 3.767 -0.081 1 1 522 . 6 1 1 A 45 45 ILE C C 87 177.773 178.249 -0.476 1 1 523 . 6 1 1 A 45 45 ILE CA C 87 62.934 64.738 -1.804 1 1 524 . 6 1 1 A 45 45 ILE CB C 87 34.766 37.942 -3.176 1 1 528 . 6 1 1 A 45 45 ILE N N 87 117.970 120.236 -2.266 1 1 529 . 6 1 1 A 46 46 THR H H 88 8.070 8.308 -0.238 1 1 530 . 6 1 1 A 46 46 THR HA H 88 3.953 3.841 0.112 1 1 535 . 6 1 1 A 46 46 THR C C 88 177.011 177.109 -0.098 1 1 536 . 6 1 1 A 46 46 THR CA C 88 66.640 65.812 0.828 1 1 537 . 6 1 1 A 46 46 THR CB C 88 68.000 68.865 -0.865 1 1 539 . 6 1 1 A 46 46 THR N N 88 116.920 114.587 2.333 1 1 540 . 6 1 1 A 47 47 ALA H H 89 7.710 7.883 -0.173 1 1 541 . 6 1 1 A 47 47 ALA HA H 89 4.240 4.099 0.141 1 1 545 . 6 1 1 A 47 47 ALA C C 89 174.356 180.164 -5.808 1 1 546 . 6 1 1 A 47 47 ALA CA C 89 55.094 55.045 0.049 1 1 547 . 6 1 1 A 47 47 ALA CB C 89 18.828 18.289 0.539 1 1 548 . 6 1 1 A 47 47 ALA N N 89 123.490 123.601 -0.111 1 1 549 . 6 1 1 A 48 48 LEU H H 90 8.570 7.989 0.581 1 1 550 . 6 1 1 A 48 48 LEU HA H 90 3.445 4.116 -0.671 1 1 560 . 6 1 1 A 48 48 LEU C C 90 178.088 179.314 -1.226 1 1 561 . 6 1 1 A 48 48 LEU CA C 90 67.110 58.155 8.955 1 1 562 . 6 1 1 A 48 48 LEU CB C 90 31.420 41.905 -10.485 1 1 566 . 6 1 1 A 48 48 LEU N N 90 119.800 120.619 -0.819 1 1 567 . 6 1 1 A 49 49 ASN H H 91 8.979 8.925 0.054 1 1 568 . 6 1 1 A 49 49 ASN HA H 91 4.494 4.534 -0.040 1 1 571 . 6 1 1 A 49 49 ASN C C 91 178.227 178.049 0.178 1 1 572 . 6 1 1 A 49 49 ASN CA C 91 54.397 56.308 -1.911 1 1 573 . 6 1 1 A 49 49 ASN CB C 91 37.578 38.027 -0.449 1 1 574 . 6 1 1 A 49 49 ASN N N 91 117.500 117.222 0.278 1 1 575 . 6 1 1 A 50 50 ALA H H 92 7.710 7.655 0.055 1 1 576 . 6 1 1 A 50 50 ALA HA H 92 4.232 4.034 0.198 1 1 580 . 6 1 1 A 50 50 ALA C C 92 180.155 179.808 0.347 1 1 581 . 6 1 1 A 50 50 ALA CA C 92 54.886 55.201 -0.315 1 1 582 . 6 1 1 A 50 50 ALA CB C 92 17.962 18.738 -0.776 1 1 583 . 6 1 1 A 50 50 ALA N N 92 120.900 123.001 -2.101 1 1 584 . 6 1 1 A 51 51 LEU H H 93 7.670 7.924 -0.254 1 1 585 . 6 1 1 A 51 51 LEU HA H 93 4.340 3.929 0.411 1 1 595 . 6 1 1 A 51 51 LEU C C 93 179.407 179.575 -0.168 1 1 596 . 6 1 1 A 51 51 LEU CA C 93 56.829 57.907 -1.078 1 1 597 . 6 1 1 A 51 51 LEU CB C 93 42.734 42.684 0.050 1 1 601 . 6 1 1 A 51 51 LEU N N 93 117.980 118.029 -0.049 1 1 602 . 6 1 1 A 52 52 THR H H 94 8.530 8.226 0.304 1 1 603 . 6 1 1 A 52 52 THR HA H 94 4.437 4.213 0.224 1 1 608 . 6 1 1 A 52 52 THR C C 94 177.112 175.049 2.063 1 1 609 . 6 1 1 A 52 52 THR CA C 94 61.485 63.599 -2.114 1 1 610 . 6 1 1 A 52 52 THR CB C 94 70.860 70.084 0.776 1 1 612 . 6 1 1 A 52 52 THR N N 94 107.010 109.228 -2.218 1 1 613 . 6 1 1 A 53 53 GLU H H 95 8.001 8.023 -0.022 1 1 614 . 6 1 1 A 53 53 GLU HA H 95 4.062 4.147 -0.085 1 1 619 . 6 1 1 A 53 53 GLU C C 95 176.199 176.009 0.190 1 1 620 . 6 1 1 A 53 53 GLU CA C 95 56.797 57.528 -0.731 1 1 621 . 6 1 1 A 53 53 GLU CB C 95 26.346 28.552 -2.206 1 1 623 . 6 1 1 A 53 53 GLU N N 95 117.560 120.897 -3.337 1 1 624 . 6 1 1 A 54 54 GLY H H 96 8.349 8.380 -0.031 1 1 625 . 6 1 1 A 54 54 GLY HA2 H 96 4.120 3.881 0.239 1 1 626 . 6 1 1 A 54 54 GLY HA3 H 96 3.520 3.899 -0.379 1 1 627 . 6 1 1 A 54 54 GLY C C 96 174.264 174.151 0.113 1 1 628 . 6 1 1 A 54 54 GLY CA C 96 44.600 46.475 -1.875 1 1 629 . 6 1 1 A 54 54 GLY N N 96 105.347 105.024 0.323 1 1 630 . 6 1 1 A 55 55 LYS H H 97 7.400 7.594 -0.194 1 1 631 . 6 1 1 A 55 55 LYS HA H 97 4.386 4.450 -0.064 1 1 640 . 6 1 1 A 55 55 LYS C C 97 177.395 175.662 1.733 1 1 641 . 6 1 1 A 55 55 LYS CA C 97 56.797 55.299 1.498 1 1 642 . 6 1 1 A 55 55 LYS CB C 97 30.522 33.313 -2.791 1 1 646 . 6 1 1 A 55 55 LYS N N 97 120.080 119.985 0.095 1 1 647 . 6 1 1 A 56 56 LYS H H 98 8.510 8.477 0.033 1 1 648 . 6 1 1 A 56 56 LYS HA H 98 3.940 4.423 -0.483 1 1 657 . 6 1 1 A 56 56 LYS C C 98 176.420 178.284 -1.864 1 1 658 . 6 1 1 A 56 56 LYS CA C 98 56.741 57.327 -0.586 1 1 659 . 6 1 1 A 56 56 LYS CB C 98 30.079 32.779 -2.700 1 1 663 . 6 1 1 A 56 56 LYS N N 98 126.202 125.026 1.176 1 1 664 . 6 1 1 A 57 57 ASP H H 99 8.510 8.184 0.326 1 1 665 . 6 1 1 A 57 57 ASP HA H 99 4.570 4.390 0.180 1 1 668 . 6 1 1 A 57 57 ASP C C 99 174.777 177.723 -2.946 1 1 669 . 6 1 1 A 57 57 ASP CA C 99 52.991 57.602 -4.611 1 1 670 . 6 1 1 A 57 57 ASP CB C 99 38.516 40.474 -1.958 1 1 671 . 6 1 1 A 57 57 ASP N N 99 116.900 119.432 -2.532 1 1 672 . 6 1 1 A 58 58 THR H H 100 7.400 7.712 -0.312 1 1 673 . 6 1 1 A 58 58 THR HA H 100 3.971 4.220 -0.249 1 1 678 . 6 1 1 A 58 58 THR C C 100 172.742 174.389 -1.647 1 1 679 . 6 1 1 A 58 58 THR CA C 100 63.360 64.205 -0.845 1 1 680 . 6 1 1 A 58 58 THR CB C 100 70.391 69.227 1.164 1 1 682 . 6 1 1 A 58 58 THR N N 100 117.350 114.973 2.377 1 1 683 . 6 1 1 A 59 59 THR H H 101 8.414 8.728 -0.314 1 1 684 . 6 1 1 A 59 59 THR HA H 101 4.174 4.438 -0.264 1 1 689 . 6 1 1 A 59 59 THR C C 101 172.505 174.309 -1.804 1 1 690 . 6 1 1 A 59 59 THR CA C 101 63.829 64.080 -0.251 1 1 691 . 6 1 1 A 59 59 THR CB C 101 69.454 68.868 0.586 1 1 693 . 6 1 1 A 59 59 THR N N 101 123.260 122.519 0.741 1 1 694 . 6 1 1 A 60 60 ILE H H 102 8.190 8.650 -0.460 1 1 695 . 6 1 1 A 60 60 ILE HA H 102 4.399 4.925 -0.526 1 1 705 . 6 1 1 A 60 60 ILE C C 102 175.119 175.162 -0.043 1 1 706 . 6 1 1 A 60 60 ILE CA C 102 58.204 60.316 -2.112 1 1 707 . 6 1 1 A 60 60 ILE CB C 102 38.047 39.630 -1.583 1 1 711 . 6 1 1 A 60 60 ILE N N 102 126.467 128.682 -2.215 1 1 712 . 6 1 1 A 61 61 PHE H H 103 8.900 8.722 0.178 1 1 713 . 6 1 1 A 61 61 PHE HA H 103 5.204 5.104 0.100 1 1 720 . 6 1 1 A 61 61 PHE C C 103 174.877 174.750 0.127 1 1 721 . 6 1 1 A 61 61 PHE CA C 103 57.266 56.442 0.824 1 1 722 . 6 1 1 A 61 61 PHE CB C 103 40.860 39.460 1.400 1 1 723 . 6 1 1 A 61 61 PHE N N 103 125.650 127.118 -1.468 1 1 724 . 6 1 1 A 62 62 PHE H H 104 9.110 8.811 0.299 1 1 725 . 6 1 1 A 62 62 PHE HA H 104 5.590 4.938 0.652 1 1 732 . 6 1 1 A 62 62 PHE C C 104 174.407 173.791 0.616 1 1 733 . 6 1 1 A 62 62 PHE CA C 104 54.922 56.667 -1.745 1 1 734 . 6 1 1 A 62 62 PHE CB C 104 41.300 40.590 0.710 1 1 735 . 6 1 1 A 62 62 PHE N N 104 123.447 124.219 -0.772 1 1 736 . 6 1 1 A 63 63 ARG H H 105 9.020 8.778 0.242 1 1 737 . 6 1 1 A 63 63 ARG HA H 105 4.830 4.868 -0.038 1 1 744 . 6 1 1 A 63 63 ARG C C 105 173.862 174.619 -0.757 1 1 745 . 6 1 1 A 63 63 ARG CA C 105 54.453 55.156 -0.703 1 1 746 . 6 1 1 A 63 63 ARG CB C 105 32.422 31.770 0.652 1 1 749 . 6 1 1 A 63 63 ARG N N 105 126.020 128.969 -2.949 1 1 750 . 6 1 1 A 64 64 ALA H H 106 8.640 8.832 -0.192 1 1 751 . 6 1 1 A 64 64 ALA HA H 106 5.223 4.966 0.257 1 1 755 . 6 1 1 A 64 64 ALA C C 106 176.565 176.032 0.533 1 1 756 . 6 1 1 A 64 64 ALA CA C 106 50.235 50.075 0.160 1 1 757 . 6 1 1 A 64 64 ALA CB C 106 22.110 20.987 1.123 1 1 758 . 6 1 1 A 64 64 ALA N N 106 126.540 128.439 -1.899 1 1 759 . 6 1 1 A 65 65 ASP H H 107 7.900 8.333 -0.433 1 1 760 . 6 1 1 A 65 65 ASP HA H 107 4.685 4.585 0.100 1 1 763 . 6 1 1 A 65 65 ASP C C 107 176.987 177.625 -0.638 1 1 764 . 6 1 1 A 65 65 ASP CA C 107 54.453 53.943 0.510 1 1 765 . 6 1 1 A 65 65 ASP CB C 107 42.209 41.797 0.412 1 1 766 . 6 1 1 A 65 65 ASP N N 107 121.600 121.866 -0.266 1 1 767 . 6 1 1 A 66 66 LYS H H 108 8.700 8.844 -0.144 1 1 768 . 6 1 1 A 66 66 LYS HA H 108 4.221 4.089 0.132 1 1 777 . 6 1 1 A 66 66 LYS C C 108 177.007 176.778 0.229 1 1 778 . 6 1 1 A 66 66 LYS CA C 108 58.682 58.333 0.349 1 1 779 . 6 1 1 A 66 66 LYS CB C 108 32.422 31.772 0.650 1 1 783 . 6 1 1 A 66 66 LYS N N 108 120.740 117.915 2.825 1 1 784 . 6 1 1 A 67 67 THR H H 109 8.035 7.640 0.395 1 1 785 . 6 1 1 A 67 67 THR HA H 109 4.270 4.602 -0.332 1 1 790 . 6 1 1 A 67 67 THR C C 109 175.031 173.326 1.705 1 1 791 . 6 1 1 A 67 67 THR CA C 109 62.422 61.321 1.101 1 1 792 . 6 1 1 A 67 67 THR CB C 109 68.985 68.901 0.084 1 1 794 . 6 1 1 A 67 67 THR N N 109 108.086 109.113 -1.027 1 1 795 . 6 1 1 A 68 68 VAL H H 110 7.470 7.613 -0.143 1 1 796 . 6 1 1 A 68 68 VAL HA H 110 3.960 4.357 -0.397 1 1 804 . 6 1 1 A 68 68 VAL C C 110 175.691 175.099 0.592 1 1 805 . 6 1 1 A 68 68 VAL CA C 110 63.360 61.206 2.154 1 1 806 . 6 1 1 A 68 68 VAL CB C 110 32.422 34.041 -1.619 1 1 809 . 6 1 1 A 68 68 VAL N N 110 123.270 122.263 1.007 1 1 810 . 6 1 1 A 69 69 ASP H H 111 8.710 8.924 -0.214 1 1 811 . 6 1 1 A 69 69 ASP HA H 111 4.645 5.021 -0.376 1 1 814 . 6 1 1 A 69 69 ASP C C 111 176.150 177.564 -1.414 1 1 815 . 6 1 1 A 69 69 ASP CA C 111 53.989 52.837 1.152 1 1 816 . 6 1 1 A 69 69 ASP CB C 111 41.328 43.018 -1.690 1 1 817 . 6 1 1 A 69 69 ASP N N 111 126.170 125.662 0.508 1 1 818 . 6 1 1 A 70 70 TYR H H 112 8.840 8.978 -0.138 1 1 819 . 6 1 1 A 70 70 TYR HA H 112 4.056 4.148 -0.092 1 1 826 . 6 1 1 A 70 70 TYR C C 112 177.075 177.709 -0.634 1 1 827 . 6 1 1 A 70 70 TYR CA C 112 61.890 61.469 0.421 1 1 828 . 6 1 1 A 70 70 TYR CB C 112 38.980 38.766 0.214 1 1 829 . 6 1 1 A 70 70 TYR N N 112 123.360 123.045 0.315 1 1 830 . 6 1 1 A 71 71 GLU H H 113 8.550 8.073 0.477 1 1 831 . 6 1 1 A 71 71 GLU HA H 113 3.904 3.880 0.024 1 1 836 . 6 1 1 A 71 71 GLU C C 113 179.338 178.835 0.503 1 1 837 . 6 1 1 A 71 71 GLU CA C 113 59.610 58.993 0.617 1 1 838 . 6 1 1 A 71 71 GLU CB C 113 27.765 29.215 -1.450 1 1 840 . 6 1 1 A 71 71 GLU N N 113 116.730 118.924 -2.194 1 1 841 . 6 1 1 A 72 72 THR H H 114 7.780 7.997 -0.217 1 1 842 . 6 1 1 A 72 72 THR HA H 114 4.320 3.982 0.338 1 1 847 . 6 1 1 A 72 72 THR C C 114 175.987 176.475 -0.488 1 1 848 . 6 1 1 A 72 72 THR CA C 114 67.579 65.871 1.708 1 1 849 . 6 1 1 A 72 72 THR CB C 114 66.640 68.519 -1.879 1 1 851 . 6 1 1 A 72 72 THR N N 114 117.340 113.312 4.028 1 1 852 . 6 1 1 A 73 73 LEU H H 115 7.570 7.780 -0.210 1 1 853 . 6 1 1 A 73 73 LEU HA H 115 3.838 4.054 -0.216 1 1 863 . 6 1 1 A 73 73 LEU C C 115 178.670 178.603 0.067 1 1 864 . 6 1 1 A 73 73 LEU CA C 115 58.203 57.892 0.311 1 1 865 . 6 1 1 A 73 73 LEU CB C 115 40.860 41.208 -0.348 1 1 868 . 6 1 1 A 73 73 LEU N N 115 120.510 119.763 0.747 1 1 869 . 6 1 1 A 74 74 MET H H 116 8.280 7.637 0.643 1 1 870 . 6 1 1 A 74 74 MET HA H 116 4.100 4.100 0.000 1 1 878 . 6 1 1 A 74 74 MET C C 116 178.503 178.108 0.395 1 1 879 . 6 1 1 A 74 74 MET CA C 116 57.210 58.031 -0.821 1 1 880 . 6 1 1 A 74 74 MET CB C 116 32.400 31.666 0.734 1 1 883 . 6 1 1 A 74 74 MET N N 116 116.240 118.909 -2.669 1 1 884 . 6 1 1 A 75 75 LYS H H 117 7.755 7.582 0.173 1 1 885 . 6 1 1 A 75 75 LYS HA H 117 4.146 4.011 0.135 1 1 894 . 6 1 1 A 75 75 LYS C C 117 173.559 179.438 -5.879 1 1 895 . 6 1 1 A 75 75 LYS CA C 117 59.610 59.218 0.392 1 1 896 . 6 1 1 A 75 75 LYS CB C 117 31.495 32.426 -0.931 1 1 900 . 6 1 1 A 75 75 LYS N N 117 120.230 119.043 1.187 1 1 901 . 6 1 1 A 76 76 VAL H H 118 7.880 7.564 0.316 1 1 902 . 6 1 1 A 76 76 VAL HA H 118 3.598 3.878 -0.280 1 1 910 . 6 1 1 A 76 76 VAL C C 118 178.205 177.973 0.232 1 1 911 . 6 1 1 A 76 76 VAL CA C 118 66.641 65.157 1.484 1 1 912 . 6 1 1 A 76 76 VAL CB C 118 31.485 31.657 -0.172 1 1 915 . 6 1 1 A 76 76 VAL N N 118 120.500 115.836 4.664 1 1 916 . 6 1 1 A 77 77 MET H H 119 8.262 8.064 0.198 1 1 917 . 6 1 1 A 77 77 MET HA H 119 3.904 4.002 -0.098 1 1 925 . 6 1 1 A 77 77 MET C C 119 178.200 177.726 0.474 1 1 926 . 6 1 1 A 77 77 MET CA C 119 59.610 58.334 1.276 1 1 927 . 6 1 1 A 77 77 MET CB C 119 32.422 31.689 0.733 1 1 930 . 6 1 1 A 77 77 MET N N 119 118.320 120.023 -1.703 1 1 931 . 6 1 1 A 78 78 ASP H H 120 8.720 7.850 0.870 1 1 932 . 6 1 1 A 78 78 ASP HA H 120 4.400 4.394 0.006 1 1 935 . 6 1 1 A 78 78 ASP C C 120 178.216 179.057 -0.841 1 1 936 . 6 1 1 A 78 78 ASP CA C 120 56.797 57.090 -0.293 1 1 937 . 6 1 1 A 78 78 ASP CB C 120 38.980 40.553 -1.573 1 1 938 . 6 1 1 A 78 78 ASP N N 120 117.800 119.266 -1.466 1 1 939 . 6 1 1 A 79 79 THR H H 121 8.040 7.789 0.251 1 1 940 . 6 1 1 A 79 79 THR HA H 121 3.939 3.969 -0.030 1 1 945 . 6 1 1 A 79 79 THR C C 121 176.582 177.283 -0.701 1 1 946 . 6 1 1 A 79 79 THR CA C 121 66.641 67.439 -0.798 1 1 947 . 6 1 1 A 79 79 THR CB C 121 68.516 68.473 0.043 1 1 949 . 6 1 1 A 79 79 THR N N 121 118.470 117.181 1.289 1 1 950 . 6 1 1 A 80 80 LEU H H 122 7.931 7.779 0.152 1 1 951 . 6 1 1 A 80 80 LEU HA H 122 4.136 4.200 -0.064 1 1 961 . 6 1 1 A 80 80 LEU C C 122 178.936 179.258 -0.322 1 1 962 . 6 1 1 A 80 80 LEU CA C 122 58.672 57.770 0.902 1 1 963 . 6 1 1 A 80 80 LEU CB C 122 41.328 41.069 0.259 1 1 967 . 6 1 1 A 80 80 LEU N N 122 121.676 117.945 3.731 1 1 968 . 6 1 1 A 81 81 HIS H H 123 8.825 7.875 0.950 1 1 969 . 6 1 1 A 81 81 HIS HA H 123 4.455 4.321 0.134 1 1 974 . 6 1 1 A 81 81 HIS C C 123 179.780 178.404 1.376 1 1 975 . 6 1 1 A 81 81 HIS CA C 123 57.732 60.113 -2.381 1 1 976 . 6 1 1 A 81 81 HIS CB C 123 28.672 30.059 -1.387 1 1 977 . 6 1 1 A 81 81 HIS N N 123 117.910 118.705 -0.795 1 1 978 . 6 1 1 A 82 82 GLN H H 124 8.740 8.611 0.129 1 1 979 . 6 1 1 A 82 82 GLN HA H 124 4.092 4.063 0.029 1 1 984 . 6 1 1 A 82 82 GLN C C 124 177.091 176.977 0.114 1 1 985 . 6 1 1 A 82 82 GLN CA C 124 58.672 58.108 0.564 1 1 986 . 6 1 1 A 82 82 GLN CB C 124 28.204 27.595 0.609 1 1 988 . 6 1 1 A 82 82 GLN N N 124 120.420 116.918 3.502 1 1 989 . 6 1 1 A 83 83 ALA H H 125 7.330 7.329 0.001 1 1 990 . 6 1 1 A 83 83 ALA HA H 125 4.495 4.330 0.165 1 1 994 . 6 1 1 A 83 83 ALA C C 125 176.371 178.003 -1.632 1 1 995 . 6 1 1 A 83 83 ALA CA C 125 52.110 51.652 0.458 1 1 996 . 6 1 1 A 83 83 ALA CB C 125 19.756 18.699 1.057 1 1 997 . 6 1 1 A 83 83 ALA N N 125 119.130 120.794 -1.664 1 1 998 . 6 1 1 A 84 84 GLY H H 126 7.780 7.885 -0.105 1 1 999 . 6 1 1 A 84 84 GLY HA2 H 126 4.111 3.828 0.283 1 1 1000 . 6 1 1 A 84 84 GLY HA3 H 126 3.505 3.894 -0.389 1 1 1001 . 6 1 1 A 84 84 GLY C C 126 173.562 173.819 -0.257 1 1 1002 . 6 1 1 A 84 84 GLY CA C 126 44.610 46.040 -1.430 1 1 1003 . 6 1 1 A 84 84 GLY N N 126 104.120 107.591 -3.471 1 1 1004 . 6 1 1 A 85 85 TYR H H 127 7.910 8.385 -0.475 1 1 1005 . 6 1 1 A 85 85 TYR HA H 127 4.551 4.172 0.379 1 1 1012 . 6 1 1 A 85 85 TYR C C 127 177.192 175.950 1.242 1 1 1013 . 6 1 1 A 85 85 TYR CA C 127 59.610 58.025 1.585 1 1 1014 . 6 1 1 A 85 85 TYR CB C 127 37.110 36.471 0.639 1 1 1015 . 6 1 1 A 85 85 TYR N N 127 120.310 121.130 -0.820 1 1 1016 . 6 1 1 A 86 86 LEU H H 128 7.835 8.399 -0.564 1 1 1017 . 6 1 1 A 86 86 LEU HA H 128 4.357 4.579 -0.222 1 1 1027 . 6 1 1 A 86 86 LEU C C 128 178.503 176.078 2.425 1 1 1028 . 6 1 1 A 86 86 LEU CA C 128 54.456 54.240 0.216 1 1 1029 . 6 1 1 A 86 86 LEU CB C 128 43.203 42.458 0.745 1 1 1033 . 6 1 1 A 86 86 LEU N N 128 120.100 121.559 -1.459 1 1 1034 . 6 1 1 A 87 87 LYS H H 129 9.330 7.831 1.499 1 1 1035 . 6 1 1 A 87 87 LYS HA H 129 4.512 4.614 -0.102 1 1 1044 . 6 1 1 A 87 87 LYS C C 129 173.251 174.927 -1.676 1 1 1045 . 6 1 1 A 87 87 LYS CA C 129 54.922 55.467 -0.545 1 1 1046 . 6 1 1 A 87 87 LYS CB C 129 31.000 33.404 -2.404 1 1 1050 . 6 1 1 A 87 87 LYS N N 129 125.180 118.413 6.767 1 1 1051 . 6 1 1 A 88 88 ILE H H 130 7.589 8.328 -0.739 1 1 1052 . 6 1 1 A 88 88 ILE HA H 130 5.015 4.839 0.176 1 1 1062 . 6 1 1 A 88 88 ILE C C 130 176.481 175.611 0.870 1 1 1063 . 6 1 1 A 88 88 ILE CA C 130 58.672 59.673 -1.001 1 1 1064 . 6 1 1 A 88 88 ILE CB C 130 40.391 39.369 1.022 1 1 1068 . 6 1 1 A 88 88 ILE N N 130 122.487 125.433 -2.946 1 1 1069 . 6 1 1 A 89 89 GLY H H 131 8.960 8.990 -0.030 1 1 1070 . 6 1 1 A 89 89 GLY HA2 H 131 4.543 3.484 1.059 1 1 1071 . 6 1 1 A 89 89 GLY HA3 H 131 3.488 3.822 -0.334 1 1 1072 . 6 1 1 A 89 89 GLY C C 131 171.936 172.313 -0.377 1 1 1073 . 6 1 1 A 89 89 GLY CA C 131 44.610 45.119 -0.509 1 1 1074 . 6 1 1 A 89 89 GLY N N 131 115.300 115.907 -0.607 1 1 1075 . 6 1 1 A 90 90 LEU H H 132 8.610 9.006 -0.396 1 1 1076 . 6 1 1 A 90 90 LEU HA H 132 5.061 4.674 0.387 1 1 1086 . 6 1 1 A 90 90 LEU C C 132 177.246 176.364 0.882 1 1 1087 . 6 1 1 A 90 90 LEU CA C 132 54.453 53.641 0.812 1 1 1088 . 6 1 1 A 90 90 LEU CB C 132 42.735 41.487 1.248 1 1 1092 . 6 1 1 A 90 90 LEU N N 132 124.560 125.608 -1.048 1 1 1093 . 6 1 1 A 91 91 VAL H H 133 8.630 8.466 0.164 1 1 1094 . 6 1 1 A 91 91 VAL HA H 133 4.299 3.811 0.488 1 1 1102 . 6 1 1 A 91 91 VAL C C 133 176.296 177.197 -0.901 1 1 1103 . 6 1 1 A 91 91 VAL CA C 133 61.953 63.502 -1.549 1 1 1104 . 6 1 1 A 91 91 VAL CB C 133 33.360 31.766 1.594 1 1 1107 . 6 1 1 A 91 91 VAL N N 133 123.280 126.472 -3.192 1 1 1108 . 6 1 1 A 92 92 GLY H H 134 8.620 9.017 -0.397 1 1 1109 . 6 1 1 A 92 92 GLY HA2 H 134 4.154 4.077 0.077 1 1 1110 . 6 1 1 A 92 92 GLY HA3 H 134 4.007 4.090 -0.083 1 1 1111 . 6 1 1 A 92 92 GLY C C 134 174.157 174.663 -0.506 1 1 1112 . 6 1 1 A 92 92 GLY CA C 134 45.097 46.307 -1.210 1 1 1113 . 6 1 1 A 92 92 GLY N N 134 112.500 117.061 -4.561 1 1 1114 . 6 1 1 A 93 93 GLU H H 135 8.278 8.429 -0.151 1 1 1115 . 6 1 1 A 93 93 GLU HA H 135 4.387 4.405 -0.018 1 1 1120 . 6 1 1 A 93 93 GLU C C 135 176.500 174.851 1.649 1 1 1121 . 6 1 1 A 93 93 GLU CA C 135 56.797 55.941 0.856 1 1 1122 . 6 1 1 A 93 93 GLU CB C 135 29.141 28.266 0.875 1 1 1124 . 6 1 1 A 93 93 GLU N N 135 119.460 119.751 -0.291 1 1 1125 . 6 1 1 A 94 94 GLU H H 136 8.680 7.962 0.718 1 1 1126 . 6 1 1 A 94 94 GLU HA H 136 4.387 4.860 -0.473 1 1 1131 . 6 1 1 A 94 94 GLU C C 136 176.970 175.233 1.737 1 1 1132 . 6 1 1 A 94 94 GLU CA C 136 56.797 56.247 0.550 1 1 1133 . 6 1 1 A 94 94 GLU CB C 136 29.141 32.178 -3.037 1 1 1135 . 6 1 1 A 94 94 GLU N N 136 121.740 122.123 -0.383 1 1 1136 . 6 1 1 A 95 95 THR H H 137 8.221 8.916 -0.695 1 1 1137 . 6 1 1 A 95 95 THR HA H 137 4.228 5.087 -0.859 1 1 1142 . 6 1 1 A 95 95 THR C C 137 174.880 173.293 1.587 1 1 1143 . 6 1 1 A 95 95 THR CA C 137 62.422 60.791 1.631 1 1 1144 . 6 1 1 A 95 95 THR CB C 137 69.454 71.989 -2.535 1 1 1146 . 6 1 1 A 95 95 THR N N 137 115.380 121.144 -5.764 1 1 1147 . 6 1 1 A 96 96 ALA H H 138 8.311 8.494 -0.183 1 1 1148 . 6 1 1 A 96 96 ALA HA H 138 4.233 4.827 -0.594 1 1 1152 . 6 1 1 A 96 96 ALA C C 138 178.469 175.461 3.008 1 1 1153 . 6 1 1 A 96 96 ALA CA C 138 53.516 51.243 2.273 1 1 1154 . 6 1 1 A 96 96 ALA CB C 138 18.828 23.625 -4.797 1 1 1155 . 6 1 1 A 96 96 ALA N N 138 125.688 123.472 2.216 1 1 1156 . 6 1 1 A 97 97 LYS H H 139 8.210 8.701 -0.491 1 1 1157 . 6 1 1 A 97 97 LYS HA H 139 4.163 4.714 -0.551 1 1 1166 . 6 1 1 A 97 97 LYS C C 139 177.154 174.450 2.704 1 1 1167 . 6 1 1 A 97 97 LYS CA C 139 57.265 55.605 1.660 1 1 1168 . 6 1 1 A 97 97 LYS CB C 139 32.891 35.954 -3.063 1 1 1172 . 6 1 1 A 97 97 LYS N N 139 120.110 118.939 1.171 1 1 1173 . 6 1 1 A 98 98 ALA H H 140 8.170 8.440 -0.270 1 1 1174 . 6 1 1 A 98 98 ALA HA H 140 4.209 4.797 -0.588 1 1 1178 . 6 1 1 A 98 98 ALA C C 140 178.469 175.759 2.710 1 1 1179 . 6 1 1 A 98 98 ALA CA C 140 53.516 51.302 2.214 1 1 1180 . 6 1 1 A 98 98 ALA CB C 140 18.828 23.381 -4.553 1 1 1181 . 6 1 1 A 98 98 ALA N N 140 124.210 122.475 1.735 1 1 1 . 7 1 1 A 2 2 ASP H H 44 8.930 8.238 0.692 1 1 2 . 7 1 1 A 2 2 ASP HA H 44 4.860 5.132 -0.272 1 1 5 . 7 1 1 A 2 2 ASP C C 44 175.278 173.971 1.307 1 1 6 . 7 1 1 A 2 2 ASP CA C 44 53.516 54.274 -0.758 1 1 7 . 7 1 1 A 2 2 ASP CB C 44 39.397 43.025 -3.628 1 1 8 . 7 1 1 A 2 2 ASP N N 44 122.920 124.151 -1.231 1 1 9 . 7 1 1 A 3 3 VAL H H 45 8.329 8.628 -0.299 1 1 10 . 7 1 1 A 3 3 VAL HA H 45 4.120 4.771 -0.651 1 1 18 . 7 1 1 A 3 3 VAL C C 45 175.938 173.637 2.301 1 1 19 . 7 1 1 A 3 3 VAL CA C 45 62.422 60.281 2.141 1 1 20 . 7 1 1 A 3 3 VAL CB C 45 32.300 34.856 -2.556 1 1 23 . 7 1 1 A 3 3 VAL N N 45 121.541 123.776 -2.235 1 1 24 . 7 1 1 A 4 4 LYS H H 46 8.400 8.712 -0.312 1 1 25 . 7 1 1 A 4 4 LYS HA H 46 4.387 4.866 -0.479 1 1 34 . 7 1 1 A 4 4 LYS C C 46 176.333 174.532 1.801 1 1 35 . 7 1 1 A 4 4 LYS CA C 46 56.270 55.266 1.004 1 1 36 . 7 1 1 A 4 4 LYS CB C 46 32.874 36.039 -3.165 1 1 40 . 7 1 1 A 4 4 LYS N N 46 125.410 127.494 -2.084 1 1 42 . 7 1 1 A 5 5 VAL H H 47 8.190 9.013 -0.823 1 1 43 . 7 1 1 A 5 5 VAL HA H 47 4.118 4.561 -0.443 1 1 51 . 7 1 1 A 5 5 VAL C C 47 175.567 175.112 0.455 1 1 52 . 7 1 1 A 5 5 VAL CA C 47 61.954 61.758 0.196 1 1 53 . 7 1 1 A 5 5 VAL CB C 47 32.443 34.041 -1.598 1 1 56 . 7 1 1 A 5 5 VAL N N 47 121.672 126.075 -4.403 1 1 57 . 7 1 1 A 6 6 ASN H H 48 8.571 8.968 -0.397 1 1 58 . 7 1 1 A 6 6 ASN HA H 48 4.750 5.078 -0.328 1 1 61 . 7 1 1 A 6 6 ASN C C 48 174.566 174.594 -0.028 1 1 62 . 7 1 1 A 6 6 ASN CA C 48 53.047 52.878 0.169 1 1 63 . 7 1 1 A 6 6 ASN CB C 48 38.901 40.181 -1.280 1 1 64 . 7 1 1 A 6 6 ASN N N 48 123.230 126.319 -3.089 1 1 65 . 7 1 1 A 7 7 LEU H H 49 8.286 8.656 -0.370 1 1 66 . 7 1 1 A 7 7 LEU HA H 49 4.632 5.131 -0.499 1 1 76 . 7 1 1 A 7 7 LEU C C 49 175.162 173.797 1.365 1 1 77 . 7 1 1 A 7 7 LEU CA C 49 53.047 52.027 1.020 1 1 78 . 7 1 1 A 7 7 LEU CB C 49 41.825 42.941 -1.116 1 1 82 . 7 1 1 A 7 7 LEU N N 49 124.491 121.366 3.125 1 1 83 . 7 1 1 A 8 8 PRO HA H 50 4.443 4.557 -0.114 1 1 90 . 7 1 1 A 8 8 PRO C C 50 176.734 176.712 0.022 1 1 91 . 7 1 1 A 8 8 PRO CA C 50 62.903 62.802 0.101 1 1 92 . 7 1 1 A 8 8 PRO CB C 50 31.839 32.587 -0.748 1 1 95 . 7 1 1 A 9 9 ALA H H 51 8.424 8.497 -0.073 1 1 96 . 7 1 1 A 9 9 ALA HA H 51 4.330 3.941 0.389 1 1 100 . 7 1 1 A 9 9 ALA C C 51 178.124 176.585 1.539 1 1 101 . 7 1 1 A 9 9 ALA CA C 51 52.578 54.130 -1.552 1 1 102 . 7 1 1 A 9 9 ALA CB C 51 19.297 17.949 1.348 1 1 103 . 7 1 1 A 9 9 ALA N N 51 124.364 122.263 2.101 1 1 104 . 7 1 1 A 10 10 SER H H 52 8.380 8.480 -0.100 1 1 105 . 7 1 1 A 10 10 SER HA H 52 4.223 5.239 -1.016 1 1 108 . 7 1 1 A 10 10 SER C C 52 174.982 172.622 2.360 1 1 109 . 7 1 1 A 10 10 SER CA C 52 58.672 57.921 0.751 1 1 110 . 7 1 1 A 10 10 SER CB C 52 63.829 65.557 -1.728 1 1 111 . 7 1 1 A 10 10 SER N N 52 114.800 111.989 2.811 1 1 112 . 7 1 1 A 11 11 THR H H 53 8.227 8.853 -0.626 1 1 113 . 7 1 1 A 11 11 THR HA H 53 4.478 5.064 -0.586 1 1 118 . 7 1 1 A 11 11 THR C C 53 174.612 172.070 2.542 1 1 119 . 7 1 1 A 11 11 THR CA C 53 61.922 60.546 1.376 1 1 120 . 7 1 1 A 11 11 THR CB C 53 69.922 71.506 -1.584 1 1 122 . 7 1 1 A 11 11 THR N N 53 115.236 120.556 -5.320 1 1 123 . 7 1 1 A 12 12 SER H H 54 8.330 8.861 -0.531 1 1 124 . 7 1 1 A 12 12 SER HA H 54 4.559 4.919 -0.360 1 1 127 . 7 1 1 A 12 12 SER C C 54 174.299 173.445 0.854 1 1 128 . 7 1 1 A 12 12 SER CA C 54 58.204 56.797 1.407 1 1 129 . 7 1 1 A 12 12 SER CB C 54 63.891 63.476 0.415 1 1 130 . 7 1 1 A 12 12 SER N N 54 117.770 122.787 -5.017 1 1 131 . 7 1 1 A 13 13 THR H H 55 8.274 8.531 -0.257 1 1 132 . 7 1 1 A 13 13 THR HA H 55 4.624 4.951 -0.327 1 1 137 . 7 1 1 A 13 13 THR C C 55 170.400 173.149 -2.749 1 1 138 . 7 1 1 A 13 13 THR CA C 55 60.079 59.683 0.396 1 1 139 . 7 1 1 A 13 13 THR CB C 55 69.922 69.158 0.764 1 1 141 . 7 1 1 A 13 13 THR N N 55 118.865 118.045 0.820 1 1 142 . 7 1 1 A 14 14 PRO HA H 56 4.458 4.682 -0.224 1 1 149 . 7 1 1 A 14 14 PRO C C 56 176.748 175.571 1.177 1 1 150 . 7 1 1 A 14 14 PRO CA C 56 63.076 62.678 0.398 1 1 151 . 7 1 1 A 14 14 PRO CB C 56 32.043 33.071 -1.028 1 1 154 . 7 1 1 A 15 15 GLN H H 57 8.547 8.626 -0.079 1 1 155 . 7 1 1 A 15 15 GLN HA H 57 4.620 4.736 -0.116 1 1 160 . 7 1 1 A 15 15 GLN CA C 57 53.600 53.304 0.296 1 1 161 . 7 1 1 A 15 15 GLN CB C 57 29.141 29.121 0.020 1 1 163 . 7 1 1 A 15 15 GLN N N 57 122.041 122.171 -0.130 1 1 165 . 7 1 1 A 16 16 PRO HA H 58 4.458 4.710 -0.252 1 1 172 . 7 1 1 A 16 16 PRO C C 58 176.620 176.000 0.620 1 1 173 . 7 1 1 A 16 16 PRO CA C 58 62.872 62.879 -0.007 1 1 174 . 7 1 1 A 16 16 PRO CB C 58 32.111 33.620 -1.509 1 1 177 . 7 1 1 A 17 17 ARG H H 59 8.511 8.368 0.143 1 1 178 . 7 1 1 A 17 17 ARG HA H 59 4.643 4.886 -0.243 1 1 185 . 7 1 1 A 17 17 ARG CA C 59 53.985 53.663 0.322 1 1 186 . 7 1 1 A 17 17 ARG CB C 59 30.195 31.152 -0.957 1 1 189 . 7 1 1 A 17 17 ARG N N 59 122.731 121.050 1.681 1 1 190 . 7 1 1 A 18 18 PRO HA H 60 4.458 4.628 -0.170 1 1 197 . 7 1 1 A 18 18 PRO C C 60 176.892 175.403 1.489 1 1 198 . 7 1 1 A 18 18 PRO CA C 60 62.940 62.617 0.323 1 1 199 . 7 1 1 A 18 18 PRO CB C 60 32.891 33.004 -0.113 1 1 202 . 7 1 1 A 19 19 GLU H H 61 8.480 8.497 -0.017 1 1 203 . 7 1 1 A 19 19 GLU HA H 61 4.391 4.804 -0.413 1 1 208 . 7 1 1 A 19 19 GLU C C 61 176.174 175.273 0.901 1 1 209 . 7 1 1 A 19 19 GLU CA C 61 54.922 55.500 -0.578 1 1 210 . 7 1 1 A 19 19 GLU CB C 61 29.141 31.558 -2.417 1 1 212 . 7 1 1 A 19 19 GLU N N 61 120.840 120.171 0.669 1 1 213 . 7 1 1 A 20 20 LYS H H 62 8.502 8.708 -0.206 1 1 214 . 7 1 1 A 20 20 LYS HA H 62 4.620 4.791 -0.171 1 1 223 . 7 1 1 A 20 20 LYS C C 62 171.420 173.823 -2.403 1 1 224 . 7 1 1 A 20 20 LYS CA C 62 54.827 53.118 1.709 1 1 225 . 7 1 1 A 20 20 LYS CB C 62 32.422 33.927 -1.505 1 1 229 . 7 1 1 A 20 20 LYS N N 62 125.117 124.348 0.769 1 1 230 . 7 1 1 A 21 21 PRO HA H 63 4.448 4.515 -0.067 1 1 237 . 7 1 1 A 21 21 PRO CA C 63 62.261 62.520 -0.259 1 1 238 . 7 1 1 A 21 21 PRO CB C 63 32.422 32.064 0.358 1 1 241 . 7 1 1 A 22 22 VAL H H 64 8.570 8.581 -0.011 1 1 242 . 7 1 1 A 22 22 VAL HA H 64 4.097 4.366 -0.269 1 1 250 . 7 1 1 A 22 22 VAL C C 64 173.862 174.678 -0.816 1 1 251 . 7 1 1 A 22 22 VAL CA C 64 61.000 61.787 -0.787 1 1 252 . 7 1 1 A 22 22 VAL CB C 64 33.770 32.224 1.546 1 1 255 . 7 1 1 A 22 22 VAL N N 64 120.453 122.188 -1.735 1 1 256 . 7 1 1 A 23 23 TYR H H 65 8.600 9.153 -0.553 1 1 257 . 7 1 1 A 23 23 TYR HA H 65 5.207 5.358 -0.151 1 1 264 . 7 1 1 A 23 23 TYR C C 65 174.916 174.312 0.604 1 1 265 . 7 1 1 A 23 23 TYR CA C 65 57.210 56.355 0.855 1 1 266 . 7 1 1 A 23 23 TYR CB C 65 39.454 42.334 -2.880 1 1 267 . 7 1 1 A 23 23 TYR N N 65 124.580 128.099 -3.519 1 1 268 . 7 1 1 A 24 24 LEU H H 66 9.186 9.390 -0.204 1 1 269 . 7 1 1 A 24 24 LEU HA H 66 5.261 5.326 -0.065 1 1 279 . 7 1 1 A 24 24 LEU C C 66 175.491 176.431 -0.940 1 1 280 . 7 1 1 A 24 24 LEU CA C 66 53.516 53.620 -0.104 1 1 281 . 7 1 1 A 24 24 LEU CB C 66 45.078 45.214 -0.136 1 1 285 . 7 1 1 A 24 24 LEU N N 66 128.669 127.323 1.346 1 1 286 . 7 1 1 A 25 25 SER H H 67 9.300 8.780 0.520 1 1 287 . 7 1 1 A 25 25 SER HA H 67 5.637 5.328 0.309 1 1 290 . 7 1 1 A 25 25 SER C C 67 173.470 173.390 0.080 1 1 291 . 7 1 1 A 25 25 SER CA C 67 56.784 57.648 -0.864 1 1 292 . 7 1 1 A 25 25 SER CB C 67 65.267 65.489 -0.222 1 1 293 . 7 1 1 A 25 25 SER N N 67 120.290 119.696 0.594 1 1 294 . 7 1 1 A 26 26 VAL H H 68 8.600 8.704 -0.104 1 1 295 . 7 1 1 A 26 26 VAL HA H 68 4.847 5.379 -0.532 1 1 303 . 7 1 1 A 26 26 VAL C C 68 175.205 174.603 0.602 1 1 304 . 7 1 1 A 26 26 VAL CA C 68 60.950 59.410 1.540 1 1 305 . 7 1 1 A 26 26 VAL CB C 68 33.770 35.028 -1.258 1 1 308 . 7 1 1 A 26 26 VAL N N 68 123.723 126.113 -2.390 1 1 309 . 7 1 1 A 27 27 LYS H H 69 8.760 8.588 0.172 1 1 310 . 7 1 1 A 27 27 LYS HA H 69 4.630 4.913 -0.283 1 1 319 . 7 1 1 A 27 27 LYS C C 69 176.007 176.031 -0.024 1 1 320 . 7 1 1 A 27 27 LYS CA C 69 62.400 55.025 7.375 1 1 321 . 7 1 1 A 27 27 LYS CB C 69 33.820 34.481 -0.661 1 1 325 . 7 1 1 A 27 27 LYS N N 69 126.000 119.737 6.263 1 1 326 . 7 1 1 A 28 28 ALA H H 70 8.728 8.689 0.039 1 1 327 . 7 1 1 A 28 28 ALA HA H 70 4.018 3.950 0.068 1 1 331 . 7 1 1 A 28 28 ALA C C 70 177.852 176.945 0.907 1 1 332 . 7 1 1 A 28 28 ALA CA C 70 53.985 54.270 -0.285 1 1 333 . 7 1 1 A 28 28 ALA CB C 70 19.297 17.800 1.497 1 1 334 . 7 1 1 A 28 28 ALA N N 70 124.480 121.789 2.691 1 1 335 . 7 1 1 A 29 29 ASP H H 71 8.256 8.711 -0.455 1 1 336 . 7 1 1 A 29 29 ASP HA H 71 4.497 4.606 -0.109 1 1 339 . 7 1 1 A 29 29 ASP C C 71 176.455 176.646 -0.191 1 1 340 . 7 1 1 A 29 29 ASP CA C 71 53.985 53.940 0.045 1 1 341 . 7 1 1 A 29 29 ASP CB C 71 39.315 39.581 -0.266 1 1 342 . 7 1 1 A 29 29 ASP N N 71 118.722 118.857 -0.135 1 1 343 . 7 1 1 A 30 30 ASN H H 72 8.380 8.492 -0.112 1 1 344 . 7 1 1 A 30 30 ASN HA H 72 4.374 4.378 -0.004 1 1 349 . 7 1 1 A 30 30 ASN C C 72 174.641 173.961 0.680 1 1 350 . 7 1 1 A 30 30 ASN CA C 72 54.453 53.964 0.489 1 1 351 . 7 1 1 A 30 30 ASN CB C 72 37.579 37.019 0.560 1 1 352 . 7 1 1 A 30 30 ASN N N 72 113.000 116.176 -3.176 1 1 353 . 7 1 1 A 31 31 SER H H 73 7.710 7.612 0.098 1 1 354 . 7 1 1 A 31 31 SER HA H 73 4.404 4.892 -0.488 1 1 357 . 7 1 1 A 31 31 SER C C 73 172.527 172.839 -0.312 1 1 358 . 7 1 1 A 31 31 SER CA C 73 58.672 57.412 1.260 1 1 359 . 7 1 1 A 31 31 SER CB C 73 63.303 65.601 -2.298 1 1 360 . 7 1 1 A 31 31 SER N N 73 115.080 114.380 0.700 1 1 361 . 7 1 1 A 32 32 MET H H 74 8.065 8.849 -0.784 1 1 362 . 7 1 1 A 32 32 MET HA H 74 5.573 5.372 0.201 1 1 370 . 7 1 1 A 32 32 MET C C 74 174.974 175.565 -0.591 1 1 371 . 7 1 1 A 32 32 MET CA C 74 54.397 54.098 0.299 1 1 372 . 7 1 1 A 32 32 MET CB C 74 37.579 34.500 3.079 1 1 375 . 7 1 1 A 32 32 MET N N 74 121.780 124.885 -3.105 1 1 376 . 7 1 1 A 33 33 PHE H H 75 8.900 9.088 -0.188 1 1 377 . 7 1 1 A 33 33 PHE HA H 75 5.190 4.828 0.362 1 1 384 . 7 1 1 A 33 33 PHE C C 75 175.228 174.513 0.715 1 1 385 . 7 1 1 A 33 33 PHE CA C 75 56.797 58.128 -1.331 1 1 386 . 7 1 1 A 33 33 PHE CB C 75 44.141 40.963 3.178 1 1 387 . 7 1 1 A 33 33 PHE N N 75 118.800 123.264 -4.464 1 1 388 . 7 1 1 A 34 34 ILE H H 76 8.830 8.472 0.358 1 1 389 . 7 1 1 A 34 34 ILE HA H 76 4.851 4.262 0.589 1 1 399 . 7 1 1 A 34 34 ILE C C 76 177.606 178.351 -0.745 1 1 400 . 7 1 1 A 34 34 ILE CA C 76 59.610 61.526 -1.916 1 1 401 . 7 1 1 A 34 34 ILE CB C 76 37.990 38.175 -0.185 1 1 405 . 7 1 1 A 34 34 ILE N N 76 121.330 128.193 -6.863 1 1 406 . 7 1 1 A 35 35 GLY H H 77 9.177 8.680 0.497 1 1 407 . 7 1 1 A 35 35 GLY HA2 H 77 4.139 3.820 0.319 1 1 408 . 7 1 1 A 35 35 GLY HA3 H 77 3.742 3.841 -0.099 1 1 409 . 7 1 1 A 35 35 GLY C C 77 174.757 175.066 -0.309 1 1 410 . 7 1 1 A 35 35 GLY CA C 77 47.422 47.316 0.106 1 1 411 . 7 1 1 A 35 35 GLY N N 77 118.894 113.808 5.086 1 1 412 . 7 1 1 A 36 36 ASN H H 78 9.170 7.954 1.216 1 1 413 . 7 1 1 A 36 36 ASN HA H 78 4.846 5.038 -0.192 1 1 416 . 7 1 1 A 36 36 ASN C C 78 174.867 173.124 1.743 1 1 417 . 7 1 1 A 36 36 ASN CA C 78 52.578 52.144 0.434 1 1 418 . 7 1 1 A 36 36 ASN CB C 78 38.985 39.050 -0.065 1 1 419 . 7 1 1 A 36 36 ASN N N 78 125.494 117.645 7.849 1 1 420 . 7 1 1 A 37 37 ASP H H 79 8.590 7.763 0.827 1 1 421 . 7 1 1 A 37 37 ASP HA H 79 5.330 5.107 0.223 1 1 424 . 7 1 1 A 37 37 ASP C C 79 173.009 173.173 -0.164 1 1 425 . 7 1 1 A 37 37 ASP CA C 79 51.172 51.500 -0.328 1 1 426 . 7 1 1 A 37 37 ASP CB C 79 39.922 41.593 -1.671 1 1 427 . 7 1 1 A 37 37 ASP N N 79 121.409 121.929 -0.520 1 1 428 . 7 1 1 A 38 38 PRO HA H 80 4.320 4.502 -0.182 1 1 435 . 7 1 1 A 38 38 PRO C C 80 176.862 176.150 0.712 1 1 436 . 7 1 1 A 38 38 PRO CA C 80 62.422 62.268 0.154 1 1 437 . 7 1 1 A 38 38 PRO CB C 80 32.890 31.671 1.219 1 1 440 . 7 1 1 A 39 39 VAL H H 81 8.001 7.974 0.027 1 1 441 . 7 1 1 A 39 39 VAL HA H 81 4.522 4.847 -0.325 1 1 449 . 7 1 1 A 39 39 VAL C C 81 173.912 173.544 0.368 1 1 450 . 7 1 1 A 39 39 VAL CA C 81 59.141 59.462 -0.321 1 1 451 . 7 1 1 A 39 39 VAL CB C 81 36.172 36.358 -0.186 1 1 454 . 7 1 1 A 39 39 VAL N N 81 115.450 116.646 -1.196 1 1 455 . 7 1 1 A 40 40 THR H H 82 7.672 8.425 -0.753 1 1 456 . 7 1 1 A 40 40 THR HA H 82 4.746 4.840 -0.094 1 1 461 . 7 1 1 A 40 40 THR C C 82 175.692 175.397 0.295 1 1 462 . 7 1 1 A 40 40 THR CA C 82 59.121 59.195 -0.074 1 1 463 . 7 1 1 A 40 40 THR CB C 82 72.735 71.608 1.127 1 1 465 . 7 1 1 A 40 40 THR N N 82 110.320 112.300 -1.980 1 1 466 . 7 1 1 A 41 41 ASP H H 83 9.370 9.076 0.294 1 1 467 . 7 1 1 A 41 41 ASP HA H 83 4.314 4.510 -0.196 1 1 470 . 7 1 1 A 41 41 ASP C C 83 176.943 177.249 -0.306 1 1 471 . 7 1 1 A 41 41 ASP CA C 83 56.797 55.879 0.918 1 1 472 . 7 1 1 A 41 41 ASP CB C 83 38.047 39.919 -1.872 1 1 473 . 7 1 1 A 41 41 ASP N N 83 118.710 121.242 -2.532 1 1 474 . 7 1 1 A 42 42 GLU H H 84 8.228 8.187 0.041 1 1 475 . 7 1 1 A 42 42 GLU HA H 84 4.336 4.245 0.091 1 1 480 . 7 1 1 A 42 42 GLU C C 84 177.827 177.704 0.123 1 1 481 . 7 1 1 A 42 42 GLU CA C 84 58.204 58.256 -0.052 1 1 482 . 7 1 1 A 42 42 GLU CB C 84 29.141 30.193 -1.052 1 1 484 . 7 1 1 A 42 42 GLU N N 84 115.213 118.634 -3.421 1 1 485 . 7 1 1 A 43 43 THR H H 85 7.510 7.851 -0.341 1 1 486 . 7 1 1 A 43 43 THR HA H 85 4.664 4.868 -0.204 1 1 491 . 7 1 1 A 43 43 THR C C 85 175.799 175.427 0.372 1 1 492 . 7 1 1 A 43 43 THR CA C 85 61.395 60.864 0.531 1 1 493 . 7 1 1 A 43 43 THR CB C 85 70.391 69.400 0.991 1 1 495 . 7 1 1 A 43 43 THR N N 85 108.315 114.029 -5.714 1 1 496 . 7 1 1 A 44 44 MET H H 86 7.900 7.677 0.223 1 1 497 . 7 1 1 A 44 44 MET HA H 86 3.820 4.265 -0.445 1 1 505 . 7 1 1 A 44 44 MET C C 86 176.605 178.391 -1.786 1 1 506 . 7 1 1 A 44 44 MET CA C 86 60.547 58.048 2.499 1 1 507 . 7 1 1 A 44 44 MET CB C 86 32.422 32.260 0.162 1 1 510 . 7 1 1 A 44 44 MET N N 86 121.500 120.219 1.281 1 1 511 . 7 1 1 A 45 45 ILE H H 87 8.430 7.907 0.523 1 1 512 . 7 1 1 A 45 45 ILE HA H 87 3.686 3.833 -0.147 1 1 522 . 7 1 1 A 45 45 ILE C C 87 177.773 178.108 -0.335 1 1 523 . 7 1 1 A 45 45 ILE CA C 87 62.934 64.622 -1.688 1 1 524 . 7 1 1 A 45 45 ILE CB C 87 34.766 37.980 -3.214 1 1 528 . 7 1 1 A 45 45 ILE N N 87 117.970 120.301 -2.331 1 1 529 . 7 1 1 A 46 46 THR H H 88 8.070 8.237 -0.167 1 1 530 . 7 1 1 A 46 46 THR HA H 88 3.953 4.081 -0.128 1 1 535 . 7 1 1 A 46 46 THR C C 88 177.011 177.147 -0.136 1 1 536 . 7 1 1 A 46 46 THR CA C 88 66.640 65.504 1.136 1 1 537 . 7 1 1 A 46 46 THR CB C 88 68.000 68.052 -0.052 1 1 539 . 7 1 1 A 46 46 THR N N 88 116.920 112.523 4.397 1 1 540 . 7 1 1 A 47 47 ALA H H 89 7.710 8.097 -0.387 1 1 541 . 7 1 1 A 47 47 ALA HA H 89 4.240 4.157 0.083 1 1 545 . 7 1 1 A 47 47 ALA C C 89 174.356 180.024 -5.668 1 1 546 . 7 1 1 A 47 47 ALA CA C 89 55.094 55.140 -0.046 1 1 547 . 7 1 1 A 47 47 ALA CB C 89 18.828 18.249 0.579 1 1 548 . 7 1 1 A 47 47 ALA N N 89 123.490 124.513 -1.023 1 1 549 . 7 1 1 A 48 48 LEU H H 90 8.570 7.840 0.730 1 1 550 . 7 1 1 A 48 48 LEU HA H 90 3.445 3.981 -0.536 1 1 560 . 7 1 1 A 48 48 LEU C C 90 178.088 179.235 -1.147 1 1 561 . 7 1 1 A 48 48 LEU CA C 90 67.110 58.186 8.924 1 1 562 . 7 1 1 A 48 48 LEU CB C 90 31.420 41.943 -10.523 1 1 566 . 7 1 1 A 48 48 LEU N N 90 119.800 119.128 0.672 1 1 567 . 7 1 1 A 49 49 ASN H H 91 8.979 8.487 0.492 1 1 568 . 7 1 1 A 49 49 ASN HA H 91 4.494 4.544 -0.050 1 1 571 . 7 1 1 A 49 49 ASN C C 91 178.227 178.118 0.109 1 1 572 . 7 1 1 A 49 49 ASN CA C 91 54.397 56.187 -1.790 1 1 573 . 7 1 1 A 49 49 ASN CB C 91 37.578 38.152 -0.574 1 1 574 . 7 1 1 A 49 49 ASN N N 91 117.500 117.459 0.041 1 1 575 . 7 1 1 A 50 50 ALA H H 92 7.710 7.656 0.054 1 1 576 . 7 1 1 A 50 50 ALA HA H 92 4.232 4.045 0.187 1 1 580 . 7 1 1 A 50 50 ALA C C 92 180.155 179.865 0.290 1 1 581 . 7 1 1 A 50 50 ALA CA C 92 54.886 55.212 -0.326 1 1 582 . 7 1 1 A 50 50 ALA CB C 92 17.962 18.614 -0.652 1 1 583 . 7 1 1 A 50 50 ALA N N 92 120.900 123.467 -2.567 1 1 584 . 7 1 1 A 51 51 LEU H H 93 7.670 8.298 -0.628 1 1 585 . 7 1 1 A 51 51 LEU HA H 93 4.340 3.940 0.400 1 1 595 . 7 1 1 A 51 51 LEU C C 93 179.407 179.480 -0.073 1 1 596 . 7 1 1 A 51 51 LEU CA C 93 56.829 57.908 -1.079 1 1 597 . 7 1 1 A 51 51 LEU CB C 93 42.734 42.667 0.067 1 1 601 . 7 1 1 A 51 51 LEU N N 93 117.980 118.142 -0.162 1 1 602 . 7 1 1 A 52 52 THR H H 94 8.530 8.267 0.263 1 1 603 . 7 1 1 A 52 52 THR HA H 94 4.437 4.220 0.217 1 1 608 . 7 1 1 A 52 52 THR C C 94 177.112 175.053 2.059 1 1 609 . 7 1 1 A 52 52 THR CA C 94 61.485 63.519 -2.034 1 1 610 . 7 1 1 A 52 52 THR CB C 94 70.860 70.115 0.745 1 1 612 . 7 1 1 A 52 52 THR N N 94 107.010 109.245 -2.235 1 1 613 . 7 1 1 A 53 53 GLU H H 95 8.001 8.034 -0.033 1 1 614 . 7 1 1 A 53 53 GLU HA H 95 4.062 4.097 -0.035 1 1 619 . 7 1 1 A 53 53 GLU C C 95 176.199 176.030 0.169 1 1 620 . 7 1 1 A 53 53 GLU CA C 95 56.797 57.534 -0.737 1 1 621 . 7 1 1 A 53 53 GLU CB C 95 26.346 28.521 -2.175 1 1 623 . 7 1 1 A 53 53 GLU N N 95 117.560 120.924 -3.364 1 1 624 . 7 1 1 A 54 54 GLY H H 96 8.349 8.429 -0.080 1 1 625 . 7 1 1 A 54 54 GLY HA2 H 96 4.120 3.872 0.248 1 1 626 . 7 1 1 A 54 54 GLY HA3 H 96 3.520 3.890 -0.370 1 1 627 . 7 1 1 A 54 54 GLY C C 96 174.264 174.121 0.143 1 1 628 . 7 1 1 A 54 54 GLY CA C 96 44.600 46.418 -1.818 1 1 629 . 7 1 1 A 54 54 GLY N N 96 105.347 104.715 0.632 1 1 630 . 7 1 1 A 55 55 LYS H H 97 7.400 7.925 -0.525 1 1 631 . 7 1 1 A 55 55 LYS HA H 97 4.386 4.458 -0.072 1 1 640 . 7 1 1 A 55 55 LYS C C 97 177.395 175.728 1.667 1 1 641 . 7 1 1 A 55 55 LYS CA C 97 56.797 55.303 1.494 1 1 642 . 7 1 1 A 55 55 LYS CB C 97 30.522 33.251 -2.729 1 1 646 . 7 1 1 A 55 55 LYS N N 97 120.080 120.309 -0.229 1 1 647 . 7 1 1 A 56 56 LYS H H 98 8.510 8.489 0.021 1 1 648 . 7 1 1 A 56 56 LYS HA H 98 3.940 4.403 -0.463 1 1 657 . 7 1 1 A 56 56 LYS C C 98 176.420 177.439 -1.019 1 1 658 . 7 1 1 A 56 56 LYS CA C 98 56.741 56.834 -0.093 1 1 659 . 7 1 1 A 56 56 LYS CB C 98 30.079 32.635 -2.556 1 1 663 . 7 1 1 A 56 56 LYS N N 98 126.202 124.912 1.290 1 1 664 . 7 1 1 A 57 57 ASP H H 99 8.510 8.243 0.267 1 1 665 . 7 1 1 A 57 57 ASP HA H 99 4.570 4.462 0.108 1 1 668 . 7 1 1 A 57 57 ASP C C 99 174.777 177.722 -2.945 1 1 669 . 7 1 1 A 57 57 ASP CA C 99 52.991 57.275 -4.284 1 1 670 . 7 1 1 A 57 57 ASP CB C 99 38.516 40.675 -2.159 1 1 671 . 7 1 1 A 57 57 ASP N N 99 116.900 119.803 -2.903 1 1 672 . 7 1 1 A 58 58 THR H H 100 7.400 7.676 -0.276 1 1 673 . 7 1 1 A 58 58 THR HA H 100 3.971 4.263 -0.292 1 1 678 . 7 1 1 A 58 58 THR C C 100 172.742 174.345 -1.603 1 1 679 . 7 1 1 A 58 58 THR CA C 100 63.360 64.043 -0.683 1 1 680 . 7 1 1 A 58 58 THR CB C 100 70.391 69.465 0.926 1 1 682 . 7 1 1 A 58 58 THR N N 100 117.350 114.658 2.692 1 1 683 . 7 1 1 A 59 59 THR H H 101 8.414 8.622 -0.208 1 1 684 . 7 1 1 A 59 59 THR HA H 101 4.174 4.719 -0.545 1 1 689 . 7 1 1 A 59 59 THR C C 101 172.505 174.267 -1.762 1 1 690 . 7 1 1 A 59 59 THR CA C 101 63.829 62.976 0.853 1 1 691 . 7 1 1 A 59 59 THR CB C 101 69.454 68.868 0.586 1 1 693 . 7 1 1 A 59 59 THR N N 101 123.260 122.026 1.234 1 1 694 . 7 1 1 A 60 60 ILE H H 102 8.190 8.613 -0.423 1 1 695 . 7 1 1 A 60 60 ILE HA H 102 4.399 5.058 -0.659 1 1 705 . 7 1 1 A 60 60 ILE C C 102 175.119 175.001 0.118 1 1 706 . 7 1 1 A 60 60 ILE CA C 102 58.204 60.224 -2.020 1 1 707 . 7 1 1 A 60 60 ILE CB C 102 38.047 40.466 -2.419 1 1 711 . 7 1 1 A 60 60 ILE N N 102 126.467 127.971 -1.504 1 1 712 . 7 1 1 A 61 61 PHE H H 103 8.900 8.781 0.119 1 1 713 . 7 1 1 A 61 61 PHE HA H 103 5.204 5.109 0.095 1 1 720 . 7 1 1 A 61 61 PHE C C 103 174.877 174.881 -0.004 1 1 721 . 7 1 1 A 61 61 PHE CA C 103 57.266 56.749 0.517 1 1 722 . 7 1 1 A 61 61 PHE CB C 103 40.860 39.736 1.124 1 1 723 . 7 1 1 A 61 61 PHE N N 103 125.650 126.546 -0.896 1 1 724 . 7 1 1 A 62 62 PHE H H 104 9.110 8.910 0.200 1 1 725 . 7 1 1 A 62 62 PHE HA H 104 5.590 4.964 0.626 1 1 732 . 7 1 1 A 62 62 PHE C C 104 174.407 173.890 0.517 1 1 733 . 7 1 1 A 62 62 PHE CA C 104 54.922 56.731 -1.809 1 1 734 . 7 1 1 A 62 62 PHE CB C 104 41.300 40.329 0.971 1 1 735 . 7 1 1 A 62 62 PHE N N 104 123.447 124.162 -0.715 1 1 736 . 7 1 1 A 63 63 ARG H H 105 9.020 8.717 0.303 1 1 737 . 7 1 1 A 63 63 ARG HA H 105 4.830 4.920 -0.090 1 1 744 . 7 1 1 A 63 63 ARG C C 105 173.862 174.556 -0.694 1 1 745 . 7 1 1 A 63 63 ARG CA C 105 54.453 54.783 -0.330 1 1 746 . 7 1 1 A 63 63 ARG CB C 105 32.422 31.877 0.545 1 1 749 . 7 1 1 A 63 63 ARG N N 105 126.020 128.984 -2.964 1 1 750 . 7 1 1 A 64 64 ALA H H 106 8.640 8.767 -0.127 1 1 751 . 7 1 1 A 64 64 ALA HA H 106 5.223 4.950 0.273 1 1 755 . 7 1 1 A 64 64 ALA C C 106 176.565 176.417 0.148 1 1 756 . 7 1 1 A 64 64 ALA CA C 106 50.235 49.939 0.296 1 1 757 . 7 1 1 A 64 64 ALA CB C 106 22.110 20.631 1.479 1 1 758 . 7 1 1 A 64 64 ALA N N 106 126.540 129.798 -3.258 1 1 759 . 7 1 1 A 65 65 ASP H H 107 7.900 8.227 -0.327 1 1 760 . 7 1 1 A 65 65 ASP HA H 107 4.685 4.447 0.238 1 1 763 . 7 1 1 A 65 65 ASP C C 107 176.987 177.458 -0.471 1 1 764 . 7 1 1 A 65 65 ASP CA C 107 54.453 54.469 -0.016 1 1 765 . 7 1 1 A 65 65 ASP CB C 107 42.209 42.338 -0.129 1 1 766 . 7 1 1 A 65 65 ASP N N 107 121.600 122.530 -0.930 1 1 767 . 7 1 1 A 66 66 LYS H H 108 8.700 8.810 -0.110 1 1 768 . 7 1 1 A 66 66 LYS HA H 108 4.221 4.067 0.154 1 1 777 . 7 1 1 A 66 66 LYS C C 108 177.007 176.856 0.151 1 1 778 . 7 1 1 A 66 66 LYS CA C 108 58.682 58.537 0.145 1 1 779 . 7 1 1 A 66 66 LYS CB C 108 32.422 32.115 0.307 1 1 783 . 7 1 1 A 66 66 LYS N N 108 120.740 122.299 -1.559 1 1 784 . 7 1 1 A 67 67 THR H H 109 8.035 7.585 0.450 1 1 785 . 7 1 1 A 67 67 THR HA H 109 4.270 4.513 -0.243 1 1 790 . 7 1 1 A 67 67 THR C C 109 175.031 173.768 1.263 1 1 791 . 7 1 1 A 67 67 THR CA C 109 62.422 61.307 1.115 1 1 792 . 7 1 1 A 67 67 THR CB C 109 68.985 68.960 0.025 1 1 794 . 7 1 1 A 67 67 THR N N 109 108.086 107.867 0.219 1 1 795 . 7 1 1 A 68 68 VAL H H 110 7.470 7.583 -0.113 1 1 796 . 7 1 1 A 68 68 VAL HA H 110 3.960 4.154 -0.194 1 1 804 . 7 1 1 A 68 68 VAL C C 110 175.691 174.564 1.127 1 1 805 . 7 1 1 A 68 68 VAL CA C 110 63.360 61.846 1.514 1 1 806 . 7 1 1 A 68 68 VAL CB C 110 32.422 32.915 -0.493 1 1 809 . 7 1 1 A 68 68 VAL N N 110 123.270 122.795 0.475 1 1 810 . 7 1 1 A 69 69 ASP H H 111 8.710 8.635 0.075 1 1 811 . 7 1 1 A 69 69 ASP HA H 111 4.645 5.091 -0.446 1 1 814 . 7 1 1 A 69 69 ASP C C 111 176.150 176.402 -0.252 1 1 815 . 7 1 1 A 69 69 ASP CA C 111 53.989 53.462 0.527 1 1 816 . 7 1 1 A 69 69 ASP CB C 111 41.328 42.830 -1.502 1 1 817 . 7 1 1 A 69 69 ASP N N 111 126.170 127.225 -1.055 1 1 818 . 7 1 1 A 70 70 TYR H H 112 8.840 9.249 -0.409 1 1 819 . 7 1 1 A 70 70 TYR HA H 112 4.056 4.155 -0.099 1 1 826 . 7 1 1 A 70 70 TYR C C 112 177.075 177.264 -0.189 1 1 827 . 7 1 1 A 70 70 TYR CA C 112 61.890 61.998 -0.108 1 1 828 . 7 1 1 A 70 70 TYR CB C 112 38.980 38.950 0.030 1 1 829 . 7 1 1 A 70 70 TYR N N 112 123.360 127.721 -4.361 1 1 830 . 7 1 1 A 71 71 GLU H H 113 8.550 8.248 0.302 1 1 831 . 7 1 1 A 71 71 GLU HA H 113 3.904 3.833 0.071 1 1 836 . 7 1 1 A 71 71 GLU C C 113 179.338 178.534 0.804 1 1 837 . 7 1 1 A 71 71 GLU CA C 113 59.610 58.985 0.625 1 1 838 . 7 1 1 A 71 71 GLU CB C 113 27.765 29.535 -1.770 1 1 840 . 7 1 1 A 71 71 GLU N N 113 116.730 118.102 -1.372 1 1 841 . 7 1 1 A 72 72 THR H H 114 7.780 7.707 0.073 1 1 842 . 7 1 1 A 72 72 THR HA H 114 4.320 4.058 0.262 1 1 847 . 7 1 1 A 72 72 THR C C 114 175.987 176.762 -0.775 1 1 848 . 7 1 1 A 72 72 THR CA C 114 67.579 65.147 2.432 1 1 849 . 7 1 1 A 72 72 THR CB C 114 66.640 68.649 -2.009 1 1 851 . 7 1 1 A 72 72 THR N N 114 117.340 112.783 4.557 1 1 852 . 7 1 1 A 73 73 LEU H H 115 7.570 7.760 -0.190 1 1 853 . 7 1 1 A 73 73 LEU HA H 115 3.838 4.036 -0.198 1 1 863 . 7 1 1 A 73 73 LEU C C 115 178.670 178.289 0.381 1 1 864 . 7 1 1 A 73 73 LEU CA C 115 58.203 58.072 0.131 1 1 865 . 7 1 1 A 73 73 LEU CB C 115 40.860 41.875 -1.015 1 1 868 . 7 1 1 A 73 73 LEU N N 115 120.510 124.047 -3.537 1 1 869 . 7 1 1 A 74 74 MET H H 116 8.280 7.740 0.540 1 1 870 . 7 1 1 A 74 74 MET HA H 116 4.100 4.235 -0.135 1 1 878 . 7 1 1 A 74 74 MET C C 116 178.503 178.153 0.350 1 1 879 . 7 1 1 A 74 74 MET CA C 116 57.210 57.909 -0.699 1 1 880 . 7 1 1 A 74 74 MET CB C 116 32.400 31.993 0.407 1 1 883 . 7 1 1 A 74 74 MET N N 116 116.240 118.741 -2.501 1 1 884 . 7 1 1 A 75 75 LYS H H 117 7.755 7.608 0.147 1 1 885 . 7 1 1 A 75 75 LYS HA H 117 4.146 3.979 0.167 1 1 894 . 7 1 1 A 75 75 LYS C C 117 173.559 179.144 -5.585 1 1 895 . 7 1 1 A 75 75 LYS CA C 117 59.610 59.073 0.537 1 1 896 . 7 1 1 A 75 75 LYS CB C 117 31.495 32.636 -1.141 1 1 900 . 7 1 1 A 75 75 LYS N N 117 120.230 119.206 1.024 1 1 901 . 7 1 1 A 76 76 VAL H H 118 7.880 8.212 -0.332 1 1 902 . 7 1 1 A 76 76 VAL HA H 118 3.598 3.840 -0.242 1 1 910 . 7 1 1 A 76 76 VAL C C 118 178.205 177.891 0.314 1 1 911 . 7 1 1 A 76 76 VAL CA C 118 66.641 65.001 1.640 1 1 912 . 7 1 1 A 76 76 VAL CB C 118 31.485 31.809 -0.324 1 1 915 . 7 1 1 A 76 76 VAL N N 118 120.500 115.941 4.559 1 1 916 . 7 1 1 A 77 77 MET H H 119 8.262 7.690 0.572 1 1 917 . 7 1 1 A 77 77 MET HA H 119 3.904 3.871 0.033 1 1 925 . 7 1 1 A 77 77 MET C C 119 178.200 178.200 0.000 1 1 926 . 7 1 1 A 77 77 MET CA C 119 59.610 58.621 0.989 1 1 927 . 7 1 1 A 77 77 MET CB C 119 32.422 32.580 -0.158 1 1 930 . 7 1 1 A 77 77 MET N N 119 118.320 120.144 -1.824 1 1 931 . 7 1 1 A 78 78 ASP H H 120 8.720 8.175 0.545 1 1 932 . 7 1 1 A 78 78 ASP HA H 120 4.400 4.172 0.228 1 1 935 . 7 1 1 A 78 78 ASP C C 120 178.216 178.602 -0.386 1 1 936 . 7 1 1 A 78 78 ASP CA C 120 56.797 57.007 -0.210 1 1 937 . 7 1 1 A 78 78 ASP CB C 120 38.980 42.204 -3.224 1 1 938 . 7 1 1 A 78 78 ASP N N 120 117.800 120.516 -2.716 1 1 939 . 7 1 1 A 79 79 THR H H 121 8.040 7.649 0.391 1 1 940 . 7 1 1 A 79 79 THR HA H 121 3.939 4.012 -0.073 1 1 945 . 7 1 1 A 79 79 THR C C 121 176.582 176.465 0.117 1 1 946 . 7 1 1 A 79 79 THR CA C 121 66.641 67.090 -0.449 1 1 947 . 7 1 1 A 79 79 THR CB C 121 68.516 68.097 0.419 1 1 949 . 7 1 1 A 79 79 THR N N 121 118.470 115.902 2.568 1 1 950 . 7 1 1 A 80 80 LEU H H 122 7.931 8.392 -0.461 1 1 951 . 7 1 1 A 80 80 LEU HA H 122 4.136 4.062 0.074 1 1 961 . 7 1 1 A 80 80 LEU C C 122 178.936 179.193 -0.257 1 1 962 . 7 1 1 A 80 80 LEU CA C 122 58.672 58.332 0.340 1 1 963 . 7 1 1 A 80 80 LEU CB C 122 41.328 41.670 -0.342 1 1 967 . 7 1 1 A 80 80 LEU N N 122 121.676 121.127 0.549 1 1 968 . 7 1 1 A 81 81 HIS H H 123 8.825 7.673 1.152 1 1 969 . 7 1 1 A 81 81 HIS HA H 123 4.455 4.565 -0.110 1 1 974 . 7 1 1 A 81 81 HIS C C 123 179.780 177.735 2.045 1 1 975 . 7 1 1 A 81 81 HIS CA C 123 57.732 60.032 -2.300 1 1 976 . 7 1 1 A 81 81 HIS CB C 123 28.672 30.038 -1.366 1 1 977 . 7 1 1 A 81 81 HIS N N 123 117.910 116.163 1.747 1 1 978 . 7 1 1 A 82 82 GLN H H 124 8.740 8.190 0.550 1 1 979 . 7 1 1 A 82 82 GLN HA H 124 4.092 3.962 0.130 1 1 984 . 7 1 1 A 82 82 GLN C C 124 177.091 177.349 -0.258 1 1 985 . 7 1 1 A 82 82 GLN CA C 124 58.672 58.979 -0.307 1 1 986 . 7 1 1 A 82 82 GLN CB C 124 28.204 28.436 -0.232 1 1 988 . 7 1 1 A 82 82 GLN N N 124 120.420 117.778 2.642 1 1 989 . 7 1 1 A 83 83 ALA H H 125 7.330 7.583 -0.253 1 1 990 . 7 1 1 A 83 83 ALA HA H 125 4.495 4.397 0.098 1 1 994 . 7 1 1 A 83 83 ALA C C 125 176.371 177.722 -1.351 1 1 995 . 7 1 1 A 83 83 ALA CA C 125 52.110 51.546 0.564 1 1 996 . 7 1 1 A 83 83 ALA CB C 125 19.756 18.800 0.956 1 1 997 . 7 1 1 A 83 83 ALA N N 125 119.130 118.772 0.358 1 1 998 . 7 1 1 A 84 84 GLY H H 126 7.780 8.146 -0.366 1 1 999 . 7 1 1 A 84 84 GLY HA2 H 126 4.111 3.923 0.188 1 1 1000 . 7 1 1 A 84 84 GLY HA3 H 126 3.505 4.003 -0.498 1 1 1001 . 7 1 1 A 84 84 GLY C C 126 173.562 173.903 -0.341 1 1 1002 . 7 1 1 A 84 84 GLY CA C 126 44.610 45.020 -0.410 1 1 1003 . 7 1 1 A 84 84 GLY N N 126 104.120 107.468 -3.348 1 1 1004 . 7 1 1 A 85 85 TYR H H 127 7.910 8.460 -0.550 1 1 1005 . 7 1 1 A 85 85 TYR HA H 127 4.551 4.193 0.358 1 1 1012 . 7 1 1 A 85 85 TYR C C 127 177.192 175.790 1.402 1 1 1013 . 7 1 1 A 85 85 TYR CA C 127 59.610 58.055 1.555 1 1 1014 . 7 1 1 A 85 85 TYR CB C 127 37.110 36.516 0.594 1 1 1015 . 7 1 1 A 85 85 TYR N N 127 120.310 121.179 -0.869 1 1 1016 . 7 1 1 A 86 86 LEU H H 128 7.835 8.407 -0.572 1 1 1017 . 7 1 1 A 86 86 LEU HA H 128 4.357 4.524 -0.167 1 1 1027 . 7 1 1 A 86 86 LEU C C 128 178.503 176.117 2.386 1 1 1028 . 7 1 1 A 86 86 LEU CA C 128 54.456 54.150 0.306 1 1 1029 . 7 1 1 A 86 86 LEU CB C 128 43.203 42.312 0.891 1 1 1033 . 7 1 1 A 86 86 LEU N N 128 120.100 121.578 -1.478 1 1 1034 . 7 1 1 A 87 87 LYS H H 129 9.330 7.875 1.455 1 1 1035 . 7 1 1 A 87 87 LYS HA H 129 4.512 4.608 -0.096 1 1 1044 . 7 1 1 A 87 87 LYS C C 129 173.251 174.986 -1.735 1 1 1045 . 7 1 1 A 87 87 LYS CA C 129 54.922 55.473 -0.551 1 1 1046 . 7 1 1 A 87 87 LYS CB C 129 31.000 33.414 -2.414 1 1 1050 . 7 1 1 A 87 87 LYS N N 129 125.180 118.640 6.540 1 1 1051 . 7 1 1 A 88 88 ILE H H 130 7.589 8.517 -0.928 1 1 1052 . 7 1 1 A 88 88 ILE HA H 130 5.015 4.927 0.088 1 1 1062 . 7 1 1 A 88 88 ILE C C 130 176.481 175.767 0.714 1 1 1063 . 7 1 1 A 88 88 ILE CA C 130 58.672 59.663 -0.991 1 1 1064 . 7 1 1 A 88 88 ILE CB C 130 40.391 39.688 0.703 1 1 1068 . 7 1 1 A 88 88 ILE N N 130 122.487 125.430 -2.943 1 1 1069 . 7 1 1 A 89 89 GLY H H 131 8.960 8.834 0.126 1 1 1070 . 7 1 1 A 89 89 GLY HA2 H 131 4.543 3.115 1.428 1 1 1071 . 7 1 1 A 89 89 GLY HA3 H 131 3.488 3.735 -0.247 1 1 1072 . 7 1 1 A 89 89 GLY C C 131 171.936 172.135 -0.199 1 1 1073 . 7 1 1 A 89 89 GLY CA C 131 44.610 44.772 -0.162 1 1 1074 . 7 1 1 A 89 89 GLY N N 131 115.300 115.550 -0.250 1 1 1075 . 7 1 1 A 90 90 LEU H H 132 8.610 8.841 -0.231 1 1 1076 . 7 1 1 A 90 90 LEU HA H 132 5.061 4.707 0.354 1 1 1086 . 7 1 1 A 90 90 LEU C C 132 177.246 176.552 0.694 1 1 1087 . 7 1 1 A 90 90 LEU CA C 132 54.453 53.515 0.938 1 1 1088 . 7 1 1 A 90 90 LEU CB C 132 42.735 41.894 0.841 1 1 1092 . 7 1 1 A 90 90 LEU N N 132 124.560 123.819 0.741 1 1 1093 . 7 1 1 A 91 91 VAL H H 133 8.630 8.545 0.085 1 1 1094 . 7 1 1 A 91 91 VAL HA H 133 4.299 4.001 0.298 1 1 1102 . 7 1 1 A 91 91 VAL C C 133 176.296 176.848 -0.552 1 1 1103 . 7 1 1 A 91 91 VAL CA C 133 61.953 63.585 -1.632 1 1 1104 . 7 1 1 A 91 91 VAL CB C 133 33.360 31.944 1.416 1 1 1107 . 7 1 1 A 91 91 VAL N N 133 123.280 125.954 -2.674 1 1 1108 . 7 1 1 A 92 92 GLY H H 134 8.620 8.910 -0.290 1 1 1109 . 7 1 1 A 92 92 GLY HA2 H 134 4.154 4.011 0.143 1 1 1110 . 7 1 1 A 92 92 GLY HA3 H 134 4.007 4.021 -0.014 1 1 1111 . 7 1 1 A 92 92 GLY C C 134 174.157 174.692 -0.535 1 1 1112 . 7 1 1 A 92 92 GLY CA C 134 45.097 45.289 -0.192 1 1 1113 . 7 1 1 A 92 92 GLY N N 134 112.500 117.497 -4.997 1 1 1114 . 7 1 1 A 93 93 GLU H H 135 8.278 8.545 -0.267 1 1 1115 . 7 1 1 A 93 93 GLU HA H 135 4.387 4.016 0.371 1 1 1120 . 7 1 1 A 93 93 GLU C C 135 176.500 175.633 0.867 1 1 1121 . 7 1 1 A 93 93 GLU CA C 135 56.797 57.364 -0.567 1 1 1122 . 7 1 1 A 93 93 GLU CB C 135 29.141 28.117 1.024 1 1 1124 . 7 1 1 A 93 93 GLU N N 135 119.460 120.607 -1.147 1 1 1125 . 7 1 1 A 94 94 GLU H H 136 8.680 7.847 0.833 1 1 1126 . 7 1 1 A 94 94 GLU HA H 136 4.387 4.578 -0.191 1 1 1131 . 7 1 1 A 94 94 GLU C C 136 176.970 174.240 2.730 1 1 1132 . 7 1 1 A 94 94 GLU CA C 136 56.797 56.568 0.229 1 1 1133 . 7 1 1 A 94 94 GLU CB C 136 29.141 31.815 -2.674 1 1 1135 . 7 1 1 A 94 94 GLU N N 136 121.740 120.941 0.799 1 1 1136 . 7 1 1 A 95 95 THR H H 137 8.221 8.852 -0.631 1 1 1137 . 7 1 1 A 95 95 THR HA H 137 4.228 4.981 -0.753 1 1 1142 . 7 1 1 A 95 95 THR C C 137 174.880 173.544 1.336 1 1 1143 . 7 1 1 A 95 95 THR CA C 137 62.422 61.202 1.220 1 1 1144 . 7 1 1 A 95 95 THR CB C 137 69.454 70.878 -1.424 1 1 1146 . 7 1 1 A 95 95 THR N N 137 115.380 121.469 -6.089 1 1 1147 . 7 1 1 A 96 96 ALA H H 138 8.311 8.829 -0.518 1 1 1148 . 7 1 1 A 96 96 ALA HA H 138 4.233 5.156 -0.923 1 1 1152 . 7 1 1 A 96 96 ALA C C 138 178.469 175.765 2.704 1 1 1153 . 7 1 1 A 96 96 ALA CA C 138 53.516 51.268 2.248 1 1 1154 . 7 1 1 A 96 96 ALA CB C 138 18.828 23.291 -4.463 1 1 1155 . 7 1 1 A 96 96 ALA N N 138 125.688 130.149 -4.461 1 1 1156 . 7 1 1 A 97 97 LYS H H 139 8.210 8.717 -0.507 1 1 1157 . 7 1 1 A 97 97 LYS HA H 139 4.163 4.711 -0.548 1 1 1166 . 7 1 1 A 97 97 LYS C C 139 177.154 174.692 2.462 1 1 1167 . 7 1 1 A 97 97 LYS CA C 139 57.265 56.011 1.254 1 1 1168 . 7 1 1 A 97 97 LYS CB C 139 32.891 35.639 -2.748 1 1 1172 . 7 1 1 A 97 97 LYS N N 139 120.110 122.171 -2.061 1 1 1173 . 7 1 1 A 98 98 ALA H H 140 8.170 8.633 -0.463 1 1 1174 . 7 1 1 A 98 98 ALA HA H 140 4.209 5.276 -1.067 1 1 1178 . 7 1 1 A 98 98 ALA C C 140 178.469 175.577 2.892 1 1 1179 . 7 1 1 A 98 98 ALA CA C 140 53.516 50.650 2.866 1 1 1180 . 7 1 1 A 98 98 ALA CB C 140 18.828 24.215 -5.387 1 1 1181 . 7 1 1 A 98 98 ALA N N 140 124.210 127.750 -3.540 1 1 1 . 8 1 1 A 2 2 ASP H H 44 8.930 9.327 -0.397 1 1 2 . 8 1 1 A 2 2 ASP HA H 44 4.860 4.516 0.344 1 1 5 . 8 1 1 A 2 2 ASP C C 44 175.278 175.780 -0.502 1 1 6 . 8 1 1 A 2 2 ASP CA C 44 53.516 56.370 -2.854 1 1 7 . 8 1 1 A 2 2 ASP CB C 44 39.397 39.647 -0.250 1 1 8 . 8 1 1 A 2 2 ASP N N 44 122.920 118.180 4.740 1 1 9 . 8 1 1 A 3 3 VAL H H 45 8.329 8.655 -0.326 1 1 10 . 8 1 1 A 3 3 VAL HA H 45 4.120 3.738 0.382 1 1 18 . 8 1 1 A 3 3 VAL C C 45 175.938 174.690 1.248 1 1 19 . 8 1 1 A 3 3 VAL CA C 45 62.422 62.000 0.422 1 1 20 . 8 1 1 A 3 3 VAL CB C 45 32.300 30.922 1.378 1 1 23 . 8 1 1 A 3 3 VAL N N 45 121.541 116.451 5.090 1 1 24 . 8 1 1 A 4 4 LYS H H 46 8.400 8.215 0.185 1 1 25 . 8 1 1 A 4 4 LYS HA H 46 4.387 4.868 -0.481 1 1 34 . 8 1 1 A 4 4 LYS C C 46 176.333 175.141 1.192 1 1 35 . 8 1 1 A 4 4 LYS CA C 46 56.270 54.982 1.288 1 1 36 . 8 1 1 A 4 4 LYS CB C 46 32.874 34.026 -1.152 1 1 40 . 8 1 1 A 4 4 LYS N N 46 125.410 123.445 1.965 1 1 42 . 8 1 1 A 5 5 VAL H H 47 8.190 8.872 -0.682 1 1 43 . 8 1 1 A 5 5 VAL HA H 47 4.118 4.938 -0.820 1 1 51 . 8 1 1 A 5 5 VAL C C 47 175.567 174.680 0.887 1 1 52 . 8 1 1 A 5 5 VAL CA C 47 61.954 60.276 1.678 1 1 53 . 8 1 1 A 5 5 VAL CB C 47 32.443 33.749 -1.306 1 1 56 . 8 1 1 A 5 5 VAL N N 47 121.672 119.017 2.655 1 1 57 . 8 1 1 A 6 6 ASN H H 48 8.571 8.628 -0.057 1 1 58 . 8 1 1 A 6 6 ASN HA H 48 4.750 4.923 -0.173 1 1 61 . 8 1 1 A 6 6 ASN C C 48 174.566 175.379 -0.813 1 1 62 . 8 1 1 A 6 6 ASN CA C 48 53.047 53.005 0.042 1 1 63 . 8 1 1 A 6 6 ASN CB C 48 38.901 40.000 -1.099 1 1 64 . 8 1 1 A 6 6 ASN N N 48 123.230 122.931 0.299 1 1 65 . 8 1 1 A 7 7 LEU H H 49 8.286 8.455 -0.169 1 1 66 . 8 1 1 A 7 7 LEU HA H 49 4.632 4.743 -0.111 1 1 76 . 8 1 1 A 7 7 LEU C C 49 175.162 174.713 0.449 1 1 77 . 8 1 1 A 7 7 LEU CA C 49 53.047 52.823 0.224 1 1 78 . 8 1 1 A 7 7 LEU CB C 49 41.825 41.598 0.227 1 1 82 . 8 1 1 A 7 7 LEU N N 49 124.491 122.694 1.797 1 1 83 . 8 1 1 A 8 8 PRO HA H 50 4.443 4.520 -0.077 1 1 90 . 8 1 1 A 8 8 PRO C C 50 176.734 176.796 -0.062 1 1 91 . 8 1 1 A 8 8 PRO CA C 50 62.903 62.374 0.529 1 1 92 . 8 1 1 A 8 8 PRO CB C 50 31.839 32.193 -0.354 1 1 95 . 8 1 1 A 9 9 ALA H H 51 8.424 8.225 0.199 1 1 96 . 8 1 1 A 9 9 ALA HA H 51 4.330 4.284 0.046 1 1 100 . 8 1 1 A 9 9 ALA C C 51 178.124 176.761 1.363 1 1 101 . 8 1 1 A 9 9 ALA CA C 51 52.578 52.073 0.505 1 1 102 . 8 1 1 A 9 9 ALA CB C 51 19.297 18.430 0.867 1 1 103 . 8 1 1 A 9 9 ALA N N 51 124.364 125.770 -1.406 1 1 104 . 8 1 1 A 10 10 SER H H 52 8.380 8.157 0.223 1 1 105 . 8 1 1 A 10 10 SER HA H 52 4.223 5.266 -1.043 1 1 108 . 8 1 1 A 10 10 SER C C 52 174.982 173.484 1.498 1 1 109 . 8 1 1 A 10 10 SER CA C 52 58.672 56.670 2.002 1 1 110 . 8 1 1 A 10 10 SER CB C 52 63.829 65.001 -1.172 1 1 111 . 8 1 1 A 10 10 SER N N 52 114.800 117.914 -3.114 1 1 112 . 8 1 1 A 11 11 THR H H 53 8.227 8.655 -0.428 1 1 113 . 8 1 1 A 11 11 THR HA H 53 4.478 4.737 -0.259 1 1 118 . 8 1 1 A 11 11 THR C C 53 174.612 172.243 2.369 1 1 119 . 8 1 1 A 11 11 THR CA C 53 61.922 61.160 0.762 1 1 120 . 8 1 1 A 11 11 THR CB C 53 69.922 70.789 -0.867 1 1 122 . 8 1 1 A 11 11 THR N N 53 115.236 117.180 -1.944 1 1 123 . 8 1 1 A 12 12 SER H H 54 8.330 8.824 -0.494 1 1 124 . 8 1 1 A 12 12 SER HA H 54 4.559 5.253 -0.694 1 1 127 . 8 1 1 A 12 12 SER C C 54 174.299 172.905 1.394 1 1 128 . 8 1 1 A 12 12 SER CA C 54 58.204 56.830 1.374 1 1 129 . 8 1 1 A 12 12 SER CB C 54 63.891 67.101 -3.210 1 1 130 . 8 1 1 A 12 12 SER N N 54 117.770 118.897 -1.127 1 1 131 . 8 1 1 A 13 13 THR H H 55 8.274 8.598 -0.324 1 1 132 . 8 1 1 A 13 13 THR HA H 55 4.624 4.750 -0.126 1 1 137 . 8 1 1 A 13 13 THR C C 55 170.400 171.804 -1.404 1 1 138 . 8 1 1 A 13 13 THR CA C 55 60.079 58.743 1.336 1 1 139 . 8 1 1 A 13 13 THR CB C 55 69.922 70.858 -0.936 1 1 141 . 8 1 1 A 13 13 THR N N 55 118.865 114.908 3.957 1 1 142 . 8 1 1 A 14 14 PRO HA H 56 4.458 4.561 -0.103 1 1 149 . 8 1 1 A 14 14 PRO C C 56 176.748 175.763 0.985 1 1 150 . 8 1 1 A 14 14 PRO CA C 56 63.076 62.439 0.637 1 1 151 . 8 1 1 A 14 14 PRO CB C 56 32.043 32.696 -0.653 1 1 154 . 8 1 1 A 15 15 GLN H H 57 8.547 8.431 0.116 1 1 155 . 8 1 1 A 15 15 GLN HA H 57 4.620 4.837 -0.217 1 1 160 . 8 1 1 A 15 15 GLN CA C 57 53.600 52.923 0.677 1 1 161 . 8 1 1 A 15 15 GLN CB C 57 29.141 29.821 -0.680 1 1 163 . 8 1 1 A 15 15 GLN N N 57 122.041 119.381 2.660 1 1 165 . 8 1 1 A 16 16 PRO HA H 58 4.458 4.654 -0.196 1 1 172 . 8 1 1 A 16 16 PRO C C 58 176.620 175.492 1.128 1 1 173 . 8 1 1 A 16 16 PRO CA C 58 62.872 62.650 0.222 1 1 174 . 8 1 1 A 16 16 PRO CB C 58 32.111 33.311 -1.200 1 1 177 . 8 1 1 A 17 17 ARG H H 59 8.511 8.529 -0.018 1 1 178 . 8 1 1 A 17 17 ARG HA H 59 4.643 4.750 -0.107 1 1 185 . 8 1 1 A 17 17 ARG CA C 59 53.985 52.898 1.087 1 1 186 . 8 1 1 A 17 17 ARG CB C 59 30.195 33.910 -3.715 1 1 189 . 8 1 1 A 17 17 ARG N N 59 122.731 119.816 2.915 1 1 190 . 8 1 1 A 18 18 PRO HA H 60 4.458 4.571 -0.113 1 1 197 . 8 1 1 A 18 18 PRO C C 60 176.892 176.018 0.874 1 1 198 . 8 1 1 A 18 18 PRO CA C 60 62.940 62.456 0.484 1 1 199 . 8 1 1 A 18 18 PRO CB C 60 32.891 32.528 0.363 1 1 202 . 8 1 1 A 19 19 GLU H H 61 8.480 8.663 -0.183 1 1 203 . 8 1 1 A 19 19 GLU HA H 61 4.391 4.648 -0.257 1 1 208 . 8 1 1 A 19 19 GLU C C 61 176.174 176.045 0.129 1 1 209 . 8 1 1 A 19 19 GLU CA C 61 54.922 56.517 -1.595 1 1 210 . 8 1 1 A 19 19 GLU CB C 61 29.141 30.357 -1.216 1 1 212 . 8 1 1 A 19 19 GLU N N 61 120.840 121.540 -0.700 1 1 213 . 8 1 1 A 20 20 LYS H H 62 8.502 8.672 -0.170 1 1 214 . 8 1 1 A 20 20 LYS HA H 62 4.620 4.793 -0.173 1 1 223 . 8 1 1 A 20 20 LYS C C 62 171.420 173.811 -2.391 1 1 224 . 8 1 1 A 20 20 LYS CA C 62 54.827 53.214 1.613 1 1 225 . 8 1 1 A 20 20 LYS CB C 62 32.422 33.792 -1.370 1 1 229 . 8 1 1 A 20 20 LYS N N 62 125.117 124.408 0.709 1 1 230 . 8 1 1 A 21 21 PRO HA H 63 4.448 4.657 -0.209 1 1 237 . 8 1 1 A 21 21 PRO CA C 63 62.261 62.542 -0.281 1 1 238 . 8 1 1 A 21 21 PRO CB C 63 32.422 32.486 -0.064 1 1 241 . 8 1 1 A 22 22 VAL H H 64 8.570 8.306 0.264 1 1 242 . 8 1 1 A 22 22 VAL HA H 64 4.097 4.663 -0.566 1 1 250 . 8 1 1 A 22 22 VAL C C 64 173.862 174.334 -0.472 1 1 251 . 8 1 1 A 22 22 VAL CA C 64 61.000 60.998 0.002 1 1 252 . 8 1 1 A 22 22 VAL CB C 64 33.770 33.560 0.210 1 1 255 . 8 1 1 A 22 22 VAL N N 64 120.453 121.155 -0.702 1 1 256 . 8 1 1 A 23 23 TYR H H 65 8.600 9.127 -0.527 1 1 257 . 8 1 1 A 23 23 TYR HA H 65 5.207 5.449 -0.242 1 1 264 . 8 1 1 A 23 23 TYR C C 65 174.916 174.069 0.847 1 1 265 . 8 1 1 A 23 23 TYR CA C 65 57.210 56.110 1.100 1 1 266 . 8 1 1 A 23 23 TYR CB C 65 39.454 41.934 -2.480 1 1 267 . 8 1 1 A 23 23 TYR N N 65 124.580 128.872 -4.292 1 1 268 . 8 1 1 A 24 24 LEU H H 66 9.186 9.352 -0.166 1 1 269 . 8 1 1 A 24 24 LEU HA H 66 5.261 5.322 -0.061 1 1 279 . 8 1 1 A 24 24 LEU C C 66 175.491 175.978 -0.487 1 1 280 . 8 1 1 A 24 24 LEU CA C 66 53.516 53.506 0.010 1 1 281 . 8 1 1 A 24 24 LEU CB C 66 45.078 45.271 -0.193 1 1 285 . 8 1 1 A 24 24 LEU N N 66 128.669 127.874 0.795 1 1 286 . 8 1 1 A 25 25 SER H H 67 9.300 8.800 0.500 1 1 287 . 8 1 1 A 25 25 SER HA H 67 5.637 5.333 0.304 1 1 290 . 8 1 1 A 25 25 SER C C 67 173.470 173.215 0.255 1 1 291 . 8 1 1 A 25 25 SER CA C 67 56.784 57.694 -0.910 1 1 292 . 8 1 1 A 25 25 SER CB C 67 65.267 65.613 -0.346 1 1 293 . 8 1 1 A 25 25 SER N N 67 120.290 117.724 2.566 1 1 294 . 8 1 1 A 26 26 VAL H H 68 8.600 8.840 -0.240 1 1 295 . 8 1 1 A 26 26 VAL HA H 68 4.847 5.118 -0.271 1 1 303 . 8 1 1 A 26 26 VAL C C 68 175.205 174.610 0.595 1 1 304 . 8 1 1 A 26 26 VAL CA C 68 60.950 59.498 1.452 1 1 305 . 8 1 1 A 26 26 VAL CB C 68 33.770 34.990 -1.220 1 1 308 . 8 1 1 A 26 26 VAL N N 68 123.723 125.505 -1.782 1 1 309 . 8 1 1 A 27 27 LYS H H 69 8.760 8.368 0.392 1 1 310 . 8 1 1 A 27 27 LYS HA H 69 4.630 4.874 -0.244 1 1 319 . 8 1 1 A 27 27 LYS C C 69 176.007 176.016 -0.009 1 1 320 . 8 1 1 A 27 27 LYS CA C 69 62.400 55.055 7.345 1 1 321 . 8 1 1 A 27 27 LYS CB C 69 33.820 34.612 -0.792 1 1 325 . 8 1 1 A 27 27 LYS N N 69 126.000 120.071 5.929 1 1 326 . 8 1 1 A 28 28 ALA H H 70 8.728 8.225 0.503 1 1 327 . 8 1 1 A 28 28 ALA HA H 70 4.018 3.949 0.069 1 1 331 . 8 1 1 A 28 28 ALA C C 70 177.852 176.749 1.103 1 1 332 . 8 1 1 A 28 28 ALA CA C 70 53.985 54.272 -0.287 1 1 333 . 8 1 1 A 28 28 ALA CB C 70 19.297 17.833 1.464 1 1 334 . 8 1 1 A 28 28 ALA N N 70 124.480 122.243 2.237 1 1 335 . 8 1 1 A 29 29 ASP H H 71 8.256 8.630 -0.374 1 1 336 . 8 1 1 A 29 29 ASP HA H 71 4.497 4.546 -0.049 1 1 339 . 8 1 1 A 29 29 ASP C C 71 176.455 176.258 0.197 1 1 340 . 8 1 1 A 29 29 ASP CA C 71 53.985 53.512 0.473 1 1 341 . 8 1 1 A 29 29 ASP CB C 71 39.315 38.923 0.392 1 1 342 . 8 1 1 A 29 29 ASP N N 71 118.722 119.571 -0.849 1 1 343 . 8 1 1 A 30 30 ASN H H 72 8.380 8.482 -0.102 1 1 344 . 8 1 1 A 30 30 ASN HA H 72 4.374 4.300 0.074 1 1 349 . 8 1 1 A 30 30 ASN C C 72 174.641 174.039 0.602 1 1 350 . 8 1 1 A 30 30 ASN CA C 72 54.453 54.288 0.165 1 1 351 . 8 1 1 A 30 30 ASN CB C 72 37.579 36.765 0.814 1 1 352 . 8 1 1 A 30 30 ASN N N 72 113.000 119.059 -6.059 1 1 353 . 8 1 1 A 31 31 SER H H 73 7.710 7.605 0.105 1 1 354 . 8 1 1 A 31 31 SER HA H 73 4.404 4.993 -0.589 1 1 357 . 8 1 1 A 31 31 SER C C 73 172.527 173.059 -0.532 1 1 358 . 8 1 1 A 31 31 SER CA C 73 58.672 57.676 0.996 1 1 359 . 8 1 1 A 31 31 SER CB C 73 63.303 65.442 -2.139 1 1 360 . 8 1 1 A 31 31 SER N N 73 115.080 113.810 1.270 1 1 361 . 8 1 1 A 32 32 MET H H 74 8.065 8.709 -0.644 1 1 362 . 8 1 1 A 32 32 MET HA H 74 5.573 5.349 0.224 1 1 370 . 8 1 1 A 32 32 MET C C 74 174.974 175.655 -0.681 1 1 371 . 8 1 1 A 32 32 MET CA C 74 54.397 54.167 0.230 1 1 372 . 8 1 1 A 32 32 MET CB C 74 37.579 34.168 3.411 1 1 375 . 8 1 1 A 32 32 MET N N 74 121.780 125.492 -3.712 1 1 376 . 8 1 1 A 33 33 PHE H H 75 8.900 9.039 -0.139 1 1 377 . 8 1 1 A 33 33 PHE HA H 75 5.190 4.826 0.364 1 1 384 . 8 1 1 A 33 33 PHE C C 75 175.228 174.509 0.719 1 1 385 . 8 1 1 A 33 33 PHE CA C 75 56.797 57.991 -1.194 1 1 386 . 8 1 1 A 33 33 PHE CB C 75 44.141 41.008 3.133 1 1 387 . 8 1 1 A 33 33 PHE N N 75 118.800 123.225 -4.425 1 1 388 . 8 1 1 A 34 34 ILE H H 76 8.830 8.472 0.358 1 1 389 . 8 1 1 A 34 34 ILE HA H 76 4.851 4.242 0.609 1 1 399 . 8 1 1 A 34 34 ILE C C 76 177.606 178.335 -0.729 1 1 400 . 8 1 1 A 34 34 ILE CA C 76 59.610 61.525 -1.915 1 1 401 . 8 1 1 A 34 34 ILE CB C 76 37.990 38.176 -0.186 1 1 405 . 8 1 1 A 34 34 ILE N N 76 121.330 128.178 -6.848 1 1 406 . 8 1 1 A 35 35 GLY H H 77 9.177 8.678 0.499 1 1 407 . 8 1 1 A 35 35 GLY HA2 H 77 4.139 3.818 0.321 1 1 408 . 8 1 1 A 35 35 GLY HA3 H 77 3.742 3.840 -0.098 1 1 409 . 8 1 1 A 35 35 GLY C C 77 174.757 174.756 0.001 1 1 410 . 8 1 1 A 35 35 GLY CA C 77 47.422 47.311 0.111 1 1 411 . 8 1 1 A 35 35 GLY N N 77 118.894 113.807 5.087 1 1 412 . 8 1 1 A 36 36 ASN H H 78 9.170 8.006 1.164 1 1 413 . 8 1 1 A 36 36 ASN HA H 78 4.846 5.067 -0.221 1 1 416 . 8 1 1 A 36 36 ASN C C 78 174.867 173.898 0.969 1 1 417 . 8 1 1 A 36 36 ASN CA C 78 52.578 52.271 0.307 1 1 418 . 8 1 1 A 36 36 ASN CB C 78 38.985 38.672 0.313 1 1 419 . 8 1 1 A 36 36 ASN N N 78 125.494 113.862 11.632 1 1 420 . 8 1 1 A 37 37 ASP H H 79 8.590 7.678 0.912 1 1 421 . 8 1 1 A 37 37 ASP HA H 79 5.330 4.881 0.449 1 1 424 . 8 1 1 A 37 37 ASP C C 79 173.009 173.521 -0.512 1 1 425 . 8 1 1 A 37 37 ASP CA C 79 51.172 52.369 -1.197 1 1 426 . 8 1 1 A 37 37 ASP CB C 79 39.922 41.310 -1.388 1 1 427 . 8 1 1 A 37 37 ASP N N 79 121.409 119.230 2.179 1 1 428 . 8 1 1 A 38 38 PRO HA H 80 4.320 4.461 -0.141 1 1 435 . 8 1 1 A 38 38 PRO C C 80 176.862 176.136 0.726 1 1 436 . 8 1 1 A 38 38 PRO CA C 80 62.422 62.297 0.125 1 1 437 . 8 1 1 A 38 38 PRO CB C 80 32.890 31.664 1.226 1 1 440 . 8 1 1 A 39 39 VAL H H 81 8.001 7.965 0.036 1 1 441 . 8 1 1 A 39 39 VAL HA H 81 4.522 4.845 -0.323 1 1 449 . 8 1 1 A 39 39 VAL C C 81 173.912 173.508 0.404 1 1 450 . 8 1 1 A 39 39 VAL CA C 81 59.141 59.460 -0.319 1 1 451 . 8 1 1 A 39 39 VAL CB C 81 36.172 36.359 -0.187 1 1 454 . 8 1 1 A 39 39 VAL N N 81 115.450 116.633 -1.183 1 1 455 . 8 1 1 A 40 40 THR H H 82 7.672 8.451 -0.779 1 1 456 . 8 1 1 A 40 40 THR HA H 82 4.746 4.633 0.113 1 1 461 . 8 1 1 A 40 40 THR C C 82 175.692 175.166 0.526 1 1 462 . 8 1 1 A 40 40 THR CA C 82 59.121 59.997 -0.876 1 1 463 . 8 1 1 A 40 40 THR CB C 82 72.735 71.816 0.919 1 1 465 . 8 1 1 A 40 40 THR N N 82 110.320 115.190 -4.870 1 1 466 . 8 1 1 A 41 41 ASP H H 83 9.370 9.070 0.300 1 1 467 . 8 1 1 A 41 41 ASP HA H 83 4.314 4.512 -0.198 1 1 470 . 8 1 1 A 41 41 ASP C C 83 176.943 176.791 0.152 1 1 471 . 8 1 1 A 41 41 ASP CA C 83 56.797 55.834 0.963 1 1 472 . 8 1 1 A 41 41 ASP CB C 83 38.047 39.954 -1.907 1 1 473 . 8 1 1 A 41 41 ASP N N 83 118.710 122.370 -3.660 1 1 474 . 8 1 1 A 42 42 GLU H H 84 8.228 8.053 0.175 1 1 475 . 8 1 1 A 42 42 GLU HA H 84 4.336 4.359 -0.023 1 1 480 . 8 1 1 A 42 42 GLU C C 84 177.827 176.872 0.955 1 1 481 . 8 1 1 A 42 42 GLU CA C 84 58.204 58.304 -0.100 1 1 482 . 8 1 1 A 42 42 GLU CB C 84 29.141 30.435 -1.294 1 1 484 . 8 1 1 A 42 42 GLU N N 84 115.213 118.155 -2.942 1 1 485 . 8 1 1 A 43 43 THR H H 85 7.510 7.850 -0.340 1 1 486 . 8 1 1 A 43 43 THR HA H 85 4.664 4.664 0.000 1 1 491 . 8 1 1 A 43 43 THR C C 85 175.799 175.422 0.377 1 1 492 . 8 1 1 A 43 43 THR CA C 85 61.395 60.864 0.531 1 1 493 . 8 1 1 A 43 43 THR CB C 85 70.391 69.402 0.989 1 1 495 . 8 1 1 A 43 43 THR N N 85 108.315 114.480 -6.165 1 1 496 . 8 1 1 A 44 44 MET H H 86 7.900 7.938 -0.038 1 1 497 . 8 1 1 A 44 44 MET HA H 86 3.820 4.251 -0.431 1 1 505 . 8 1 1 A 44 44 MET C C 86 176.605 178.400 -1.795 1 1 506 . 8 1 1 A 44 44 MET CA C 86 60.547 58.132 2.415 1 1 507 . 8 1 1 A 44 44 MET CB C 86 32.422 32.308 0.114 1 1 510 . 8 1 1 A 44 44 MET N N 86 121.500 120.227 1.273 1 1 511 . 8 1 1 A 45 45 ILE H H 87 8.430 7.912 0.518 1 1 512 . 8 1 1 A 45 45 ILE HA H 87 3.686 3.809 -0.123 1 1 522 . 8 1 1 A 45 45 ILE C C 87 177.773 178.111 -0.338 1 1 523 . 8 1 1 A 45 45 ILE CA C 87 62.934 64.698 -1.764 1 1 524 . 8 1 1 A 45 45 ILE CB C 87 34.766 38.005 -3.239 1 1 528 . 8 1 1 A 45 45 ILE N N 87 117.970 120.346 -2.376 1 1 529 . 8 1 1 A 46 46 THR H H 88 8.070 8.212 -0.142 1 1 530 . 8 1 1 A 46 46 THR HA H 88 3.953 4.080 -0.127 1 1 535 . 8 1 1 A 46 46 THR C C 88 177.011 177.142 -0.131 1 1 536 . 8 1 1 A 46 46 THR CA C 88 66.640 65.504 1.136 1 1 537 . 8 1 1 A 46 46 THR CB C 88 68.000 68.053 -0.053 1 1 539 . 8 1 1 A 46 46 THR N N 88 116.920 112.580 4.340 1 1 540 . 8 1 1 A 47 47 ALA H H 89 7.710 8.130 -0.420 1 1 541 . 8 1 1 A 47 47 ALA HA H 89 4.240 4.177 0.063 1 1 545 . 8 1 1 A 47 47 ALA C C 89 174.356 180.158 -5.802 1 1 546 . 8 1 1 A 47 47 ALA CA C 89 55.094 55.149 -0.055 1 1 547 . 8 1 1 A 47 47 ALA CB C 89 18.828 18.198 0.630 1 1 548 . 8 1 1 A 47 47 ALA N N 89 123.490 124.647 -1.157 1 1 549 . 8 1 1 A 48 48 LEU H H 90 8.570 7.886 0.684 1 1 550 . 8 1 1 A 48 48 LEU HA H 90 3.445 3.942 -0.497 1 1 560 . 8 1 1 A 48 48 LEU C C 90 178.088 179.054 -0.966 1 1 561 . 8 1 1 A 48 48 LEU CA C 90 67.110 58.313 8.797 1 1 562 . 8 1 1 A 48 48 LEU CB C 90 31.420 41.819 -10.399 1 1 566 . 8 1 1 A 48 48 LEU N N 90 119.800 119.519 0.281 1 1 567 . 8 1 1 A 49 49 ASN H H 91 8.979 8.440 0.539 1 1 568 . 8 1 1 A 49 49 ASN HA H 91 4.494 4.456 0.038 1 1 571 . 8 1 1 A 49 49 ASN C C 91 178.227 177.141 1.086 1 1 572 . 8 1 1 A 49 49 ASN CA C 91 54.397 56.277 -1.880 1 1 573 . 8 1 1 A 49 49 ASN CB C 91 37.578 38.451 -0.873 1 1 574 . 8 1 1 A 49 49 ASN N N 91 117.500 117.900 -0.400 1 1 575 . 8 1 1 A 50 50 ALA H H 92 7.710 7.707 0.003 1 1 576 . 8 1 1 A 50 50 ALA HA H 92 4.232 4.140 0.092 1 1 580 . 8 1 1 A 50 50 ALA C C 92 180.155 179.276 0.879 1 1 581 . 8 1 1 A 50 50 ALA CA C 92 54.886 54.003 0.883 1 1 582 . 8 1 1 A 50 50 ALA CB C 92 17.962 18.271 -0.309 1 1 583 . 8 1 1 A 50 50 ALA N N 92 120.900 121.878 -0.978 1 1 584 . 8 1 1 A 51 51 LEU H H 93 7.670 7.642 0.028 1 1 585 . 8 1 1 A 51 51 LEU HA H 93 4.340 4.215 0.125 1 1 595 . 8 1 1 A 51 51 LEU C C 93 179.407 178.565 0.842 1 1 596 . 8 1 1 A 51 51 LEU CA C 93 56.829 57.146 -0.317 1 1 597 . 8 1 1 A 51 51 LEU CB C 93 42.734 43.052 -0.318 1 1 601 . 8 1 1 A 51 51 LEU N N 93 117.980 117.284 0.696 1 1 602 . 8 1 1 A 52 52 THR H H 94 8.530 8.242 0.288 1 1 603 . 8 1 1 A 52 52 THR HA H 94 4.437 4.470 -0.033 1 1 608 . 8 1 1 A 52 52 THR C C 94 177.112 173.701 3.411 1 1 609 . 8 1 1 A 52 52 THR CA C 94 61.485 61.225 0.260 1 1 610 . 8 1 1 A 52 52 THR CB C 94 70.860 68.638 2.222 1 1 612 . 8 1 1 A 52 52 THR N N 94 107.010 106.722 0.288 1 1 613 . 8 1 1 A 53 53 GLU H H 95 8.001 8.314 -0.313 1 1 614 . 8 1 1 A 53 53 GLU HA H 95 4.062 4.271 -0.209 1 1 619 . 8 1 1 A 53 53 GLU C C 95 176.199 176.636 -0.437 1 1 620 . 8 1 1 A 53 53 GLU CA C 95 56.797 57.658 -0.861 1 1 621 . 8 1 1 A 53 53 GLU CB C 95 26.346 27.558 -1.212 1 1 623 . 8 1 1 A 53 53 GLU N N 95 117.560 116.435 1.125 1 1 624 . 8 1 1 A 54 54 GLY H H 96 8.349 8.720 -0.371 1 1 625 . 8 1 1 A 54 54 GLY HA2 H 96 4.120 3.872 0.248 1 1 626 . 8 1 1 A 54 54 GLY HA3 H 96 3.520 3.881 -0.361 1 1 627 . 8 1 1 A 54 54 GLY C C 96 174.264 174.207 0.057 1 1 628 . 8 1 1 A 54 54 GLY CA C 96 44.600 46.197 -1.597 1 1 629 . 8 1 1 A 54 54 GLY N N 96 105.347 104.872 0.475 1 1 630 . 8 1 1 A 55 55 LYS H H 97 7.400 7.891 -0.491 1 1 631 . 8 1 1 A 55 55 LYS HA H 97 4.386 4.399 -0.013 1 1 640 . 8 1 1 A 55 55 LYS C C 97 177.395 175.979 1.416 1 1 641 . 8 1 1 A 55 55 LYS CA C 97 56.797 55.158 1.639 1 1 642 . 8 1 1 A 55 55 LYS CB C 97 30.522 31.683 -1.161 1 1 646 . 8 1 1 A 55 55 LYS N N 97 120.080 120.633 -0.553 1 1 647 . 8 1 1 A 56 56 LYS H H 98 8.510 8.404 0.106 1 1 648 . 8 1 1 A 56 56 LYS HA H 98 3.940 4.378 -0.438 1 1 657 . 8 1 1 A 56 56 LYS C C 98 176.420 178.104 -1.684 1 1 658 . 8 1 1 A 56 56 LYS CA C 98 56.741 57.054 -0.313 1 1 659 . 8 1 1 A 56 56 LYS CB C 98 30.079 32.450 -2.371 1 1 663 . 8 1 1 A 56 56 LYS N N 98 126.202 125.107 1.095 1 1 664 . 8 1 1 A 57 57 ASP H H 99 8.510 8.095 0.415 1 1 665 . 8 1 1 A 57 57 ASP HA H 99 4.570 4.412 0.158 1 1 668 . 8 1 1 A 57 57 ASP C C 99 174.777 177.491 -2.714 1 1 669 . 8 1 1 A 57 57 ASP CA C 99 52.991 57.227 -4.236 1 1 670 . 8 1 1 A 57 57 ASP CB C 99 38.516 40.611 -2.095 1 1 671 . 8 1 1 A 57 57 ASP N N 99 116.900 118.825 -1.925 1 1 672 . 8 1 1 A 58 58 THR H H 100 7.400 7.644 -0.244 1 1 673 . 8 1 1 A 58 58 THR HA H 100 3.971 4.331 -0.360 1 1 678 . 8 1 1 A 58 58 THR C C 100 172.742 174.250 -1.508 1 1 679 . 8 1 1 A 58 58 THR CA C 100 63.360 63.338 0.022 1 1 680 . 8 1 1 A 58 58 THR CB C 100 70.391 70.016 0.375 1 1 682 . 8 1 1 A 58 58 THR N N 100 117.350 115.588 1.762 1 1 683 . 8 1 1 A 59 59 THR H H 101 8.414 8.633 -0.219 1 1 684 . 8 1 1 A 59 59 THR HA H 101 4.174 4.821 -0.647 1 1 689 . 8 1 1 A 59 59 THR C C 101 172.505 174.174 -1.669 1 1 690 . 8 1 1 A 59 59 THR CA C 101 63.829 62.842 0.987 1 1 691 . 8 1 1 A 59 59 THR CB C 101 69.454 69.180 0.274 1 1 693 . 8 1 1 A 59 59 THR N N 101 123.260 121.044 2.216 1 1 694 . 8 1 1 A 60 60 ILE H H 102 8.190 8.805 -0.615 1 1 695 . 8 1 1 A 60 60 ILE HA H 102 4.399 4.938 -0.539 1 1 705 . 8 1 1 A 60 60 ILE C C 102 175.119 175.082 0.037 1 1 706 . 8 1 1 A 60 60 ILE CA C 102 58.204 60.024 -1.820 1 1 707 . 8 1 1 A 60 60 ILE CB C 102 38.047 40.918 -2.871 1 1 711 . 8 1 1 A 60 60 ILE N N 102 126.467 127.923 -1.456 1 1 712 . 8 1 1 A 61 61 PHE H H 103 8.900 8.757 0.143 1 1 713 . 8 1 1 A 61 61 PHE HA H 103 5.204 5.231 -0.027 1 1 720 . 8 1 1 A 61 61 PHE C C 103 174.877 174.791 0.086 1 1 721 . 8 1 1 A 61 61 PHE CA C 103 57.266 56.450 0.816 1 1 722 . 8 1 1 A 61 61 PHE CB C 103 40.860 39.853 1.007 1 1 723 . 8 1 1 A 61 61 PHE N N 103 125.650 126.712 -1.062 1 1 724 . 8 1 1 A 62 62 PHE H H 104 9.110 8.823 0.287 1 1 725 . 8 1 1 A 62 62 PHE HA H 104 5.590 5.071 0.519 1 1 732 . 8 1 1 A 62 62 PHE C C 104 174.407 173.822 0.585 1 1 733 . 8 1 1 A 62 62 PHE CA C 104 54.922 56.563 -1.641 1 1 734 . 8 1 1 A 62 62 PHE CB C 104 41.300 41.171 0.129 1 1 735 . 8 1 1 A 62 62 PHE N N 104 123.447 123.695 -0.248 1 1 736 . 8 1 1 A 63 63 ARG H H 105 9.020 8.797 0.223 1 1 737 . 8 1 1 A 63 63 ARG HA H 105 4.830 4.886 -0.056 1 1 744 . 8 1 1 A 63 63 ARG C C 105 173.862 174.622 -0.760 1 1 745 . 8 1 1 A 63 63 ARG CA C 105 54.453 55.047 -0.594 1 1 746 . 8 1 1 A 63 63 ARG CB C 105 32.422 31.773 0.649 1 1 749 . 8 1 1 A 63 63 ARG N N 105 126.020 129.069 -3.049 1 1 750 . 8 1 1 A 64 64 ALA H H 106 8.640 8.946 -0.306 1 1 751 . 8 1 1 A 64 64 ALA HA H 106 5.223 5.097 0.126 1 1 755 . 8 1 1 A 64 64 ALA C C 106 176.565 176.810 -0.245 1 1 756 . 8 1 1 A 64 64 ALA CA C 106 50.235 50.009 0.226 1 1 757 . 8 1 1 A 64 64 ALA CB C 106 22.110 20.843 1.267 1 1 758 . 8 1 1 A 64 64 ALA N N 106 126.540 129.824 -3.284 1 1 759 . 8 1 1 A 65 65 ASP H H 107 7.900 8.509 -0.609 1 1 760 . 8 1 1 A 65 65 ASP HA H 107 4.685 4.662 0.023 1 1 763 . 8 1 1 A 65 65 ASP C C 107 176.987 177.324 -0.337 1 1 764 . 8 1 1 A 65 65 ASP CA C 107 54.453 54.197 0.256 1 1 765 . 8 1 1 A 65 65 ASP CB C 107 42.209 41.671 0.538 1 1 766 . 8 1 1 A 65 65 ASP N N 107 121.600 121.241 0.359 1 1 767 . 8 1 1 A 66 66 LYS H H 108 8.700 8.885 -0.185 1 1 768 . 8 1 1 A 66 66 LYS HA H 108 4.221 4.042 0.179 1 1 777 . 8 1 1 A 66 66 LYS C C 108 177.007 176.734 0.273 1 1 778 . 8 1 1 A 66 66 LYS CA C 108 58.682 58.337 0.345 1 1 779 . 8 1 1 A 66 66 LYS CB C 108 32.422 31.971 0.451 1 1 783 . 8 1 1 A 66 66 LYS N N 108 120.740 121.428 -0.688 1 1 784 . 8 1 1 A 67 67 THR H H 109 8.035 7.670 0.365 1 1 785 . 8 1 1 A 67 67 THR HA H 109 4.270 4.456 -0.186 1 1 790 . 8 1 1 A 67 67 THR C C 109 175.031 173.415 1.616 1 1 791 . 8 1 1 A 67 67 THR CA C 109 62.422 61.402 1.020 1 1 792 . 8 1 1 A 67 67 THR CB C 109 68.985 69.083 -0.098 1 1 794 . 8 1 1 A 67 67 THR N N 109 108.086 108.560 -0.474 1 1 795 . 8 1 1 A 68 68 VAL H H 110 7.470 7.637 -0.167 1 1 796 . 8 1 1 A 68 68 VAL HA H 110 3.960 4.304 -0.344 1 1 804 . 8 1 1 A 68 68 VAL C C 110 175.691 174.774 0.917 1 1 805 . 8 1 1 A 68 68 VAL CA C 110 63.360 61.402 1.958 1 1 806 . 8 1 1 A 68 68 VAL CB C 110 32.422 33.562 -1.140 1 1 809 . 8 1 1 A 68 68 VAL N N 110 123.270 122.326 0.944 1 1 810 . 8 1 1 A 69 69 ASP H H 111 8.710 8.426 0.284 1 1 811 . 8 1 1 A 69 69 ASP HA H 111 4.645 4.944 -0.299 1 1 814 . 8 1 1 A 69 69 ASP C C 111 176.150 177.290 -1.140 1 1 815 . 8 1 1 A 69 69 ASP CA C 111 53.989 53.565 0.424 1 1 816 . 8 1 1 A 69 69 ASP CB C 111 41.328 41.929 -0.601 1 1 817 . 8 1 1 A 69 69 ASP N N 111 126.170 126.506 -0.336 1 1 818 . 8 1 1 A 70 70 TYR H H 112 8.840 9.146 -0.306 1 1 819 . 8 1 1 A 70 70 TYR HA H 112 4.056 4.169 -0.113 1 1 826 . 8 1 1 A 70 70 TYR C C 112 177.075 177.662 -0.587 1 1 827 . 8 1 1 A 70 70 TYR CA C 112 61.890 62.277 -0.387 1 1 828 . 8 1 1 A 70 70 TYR CB C 112 38.980 38.690 0.290 1 1 829 . 8 1 1 A 70 70 TYR N N 112 123.360 123.950 -0.590 1 1 830 . 8 1 1 A 71 71 GLU H H 113 8.550 8.197 0.353 1 1 831 . 8 1 1 A 71 71 GLU HA H 113 3.904 3.829 0.075 1 1 836 . 8 1 1 A 71 71 GLU C C 113 179.338 178.922 0.416 1 1 837 . 8 1 1 A 71 71 GLU CA C 113 59.610 58.928 0.682 1 1 838 . 8 1 1 A 71 71 GLU CB C 113 27.765 29.124 -1.359 1 1 840 . 8 1 1 A 71 71 GLU N N 113 116.730 119.127 -2.397 1 1 841 . 8 1 1 A 72 72 THR H H 114 7.780 7.706 0.074 1 1 842 . 8 1 1 A 72 72 THR HA H 114 4.320 3.984 0.336 1 1 847 . 8 1 1 A 72 72 THR C C 114 175.987 176.513 -0.526 1 1 848 . 8 1 1 A 72 72 THR CA C 114 67.579 67.015 0.564 1 1 849 . 8 1 1 A 72 72 THR CB C 114 66.640 68.761 -2.121 1 1 851 . 8 1 1 A 72 72 THR N N 114 117.340 118.223 -0.883 1 1 852 . 8 1 1 A 73 73 LEU H H 115 7.570 7.689 -0.119 1 1 853 . 8 1 1 A 73 73 LEU HA H 115 3.838 4.049 -0.211 1 1 863 . 8 1 1 A 73 73 LEU C C 115 178.670 178.472 0.198 1 1 864 . 8 1 1 A 73 73 LEU CA C 115 58.203 57.826 0.377 1 1 865 . 8 1 1 A 73 73 LEU CB C 115 40.860 41.280 -0.420 1 1 868 . 8 1 1 A 73 73 LEU N N 115 120.510 118.706 1.804 1 1 869 . 8 1 1 A 74 74 MET H H 116 8.280 7.593 0.687 1 1 870 . 8 1 1 A 74 74 MET HA H 116 4.100 4.103 -0.003 1 1 878 . 8 1 1 A 74 74 MET C C 116 178.503 178.194 0.309 1 1 879 . 8 1 1 A 74 74 MET CA C 116 57.210 57.900 -0.690 1 1 880 . 8 1 1 A 74 74 MET CB C 116 32.400 32.026 0.374 1 1 883 . 8 1 1 A 74 74 MET N N 116 116.240 118.892 -2.652 1 1 884 . 8 1 1 A 75 75 LYS H H 117 7.755 7.635 0.120 1 1 885 . 8 1 1 A 75 75 LYS HA H 117 4.146 4.012 0.134 1 1 894 . 8 1 1 A 75 75 LYS C C 117 173.559 179.660 -6.101 1 1 895 . 8 1 1 A 75 75 LYS CA C 117 59.610 59.317 0.293 1 1 896 . 8 1 1 A 75 75 LYS CB C 117 31.495 32.263 -0.768 1 1 900 . 8 1 1 A 75 75 LYS N N 117 120.230 119.241 0.989 1 1 901 . 8 1 1 A 76 76 VAL H H 118 7.880 7.895 -0.015 1 1 902 . 8 1 1 A 76 76 VAL HA H 118 3.598 3.828 -0.230 1 1 910 . 8 1 1 A 76 76 VAL C C 118 178.205 177.990 0.215 1 1 911 . 8 1 1 A 76 76 VAL CA C 118 66.641 65.107 1.534 1 1 912 . 8 1 1 A 76 76 VAL CB C 118 31.485 31.606 -0.121 1 1 915 . 8 1 1 A 76 76 VAL N N 118 120.500 115.790 4.710 1 1 916 . 8 1 1 A 77 77 MET H H 119 8.262 7.990 0.272 1 1 917 . 8 1 1 A 77 77 MET HA H 119 3.904 3.921 -0.017 1 1 925 . 8 1 1 A 77 77 MET C C 119 178.200 177.322 0.878 1 1 926 . 8 1 1 A 77 77 MET CA C 119 59.610 58.593 1.017 1 1 927 . 8 1 1 A 77 77 MET CB C 119 32.422 31.868 0.554 1 1 930 . 8 1 1 A 77 77 MET N N 119 118.320 120.334 -2.014 1 1 931 . 8 1 1 A 78 78 ASP H H 120 8.720 7.731 0.989 1 1 932 . 8 1 1 A 78 78 ASP HA H 120 4.400 4.117 0.283 1 1 935 . 8 1 1 A 78 78 ASP C C 120 178.216 178.529 -0.313 1 1 936 . 8 1 1 A 78 78 ASP CA C 120 56.797 57.552 -0.755 1 1 937 . 8 1 1 A 78 78 ASP CB C 120 38.980 41.040 -2.060 1 1 938 . 8 1 1 A 78 78 ASP N N 120 117.800 119.459 -1.659 1 1 939 . 8 1 1 A 79 79 THR H H 121 8.040 7.773 0.267 1 1 940 . 8 1 1 A 79 79 THR HA H 121 3.939 4.006 -0.067 1 1 945 . 8 1 1 A 79 79 THR C C 121 176.582 176.603 -0.021 1 1 946 . 8 1 1 A 79 79 THR CA C 121 66.641 67.446 -0.805 1 1 947 . 8 1 1 A 79 79 THR CB C 121 68.516 67.798 0.718 1 1 949 . 8 1 1 A 79 79 THR N N 121 118.470 116.598 1.872 1 1 950 . 8 1 1 A 80 80 LEU H H 122 7.931 8.567 -0.636 1 1 951 . 8 1 1 A 80 80 LEU HA H 122 4.136 4.070 0.066 1 1 961 . 8 1 1 A 80 80 LEU C C 122 178.936 179.203 -0.267 1 1 962 . 8 1 1 A 80 80 LEU CA C 122 58.672 58.376 0.296 1 1 963 . 8 1 1 A 80 80 LEU CB C 122 41.328 41.628 -0.300 1 1 967 . 8 1 1 A 80 80 LEU N N 122 121.676 121.171 0.505 1 1 968 . 8 1 1 A 81 81 HIS H H 123 8.825 7.610 1.215 1 1 969 . 8 1 1 A 81 81 HIS HA H 123 4.455 4.451 0.004 1 1 974 . 8 1 1 A 81 81 HIS C C 123 179.780 177.886 1.894 1 1 975 . 8 1 1 A 81 81 HIS CA C 123 57.732 60.070 -2.338 1 1 976 . 8 1 1 A 81 81 HIS CB C 123 28.672 30.020 -1.348 1 1 977 . 8 1 1 A 81 81 HIS N N 123 117.910 116.157 1.753 1 1 978 . 8 1 1 A 82 82 GLN H H 124 8.740 8.381 0.359 1 1 979 . 8 1 1 A 82 82 GLN HA H 124 4.092 3.923 0.169 1 1 984 . 8 1 1 A 82 82 GLN C C 124 177.091 177.476 -0.385 1 1 985 . 8 1 1 A 82 82 GLN CA C 124 58.672 58.992 -0.320 1 1 986 . 8 1 1 A 82 82 GLN CB C 124 28.204 28.388 -0.184 1 1 988 . 8 1 1 A 82 82 GLN N N 124 120.420 118.308 2.112 1 1 989 . 8 1 1 A 83 83 ALA H H 125 7.330 7.575 -0.245 1 1 990 . 8 1 1 A 83 83 ALA HA H 125 4.495 4.373 0.122 1 1 994 . 8 1 1 A 83 83 ALA C C 125 176.371 177.771 -1.400 1 1 995 . 8 1 1 A 83 83 ALA CA C 125 52.110 51.697 0.413 1 1 996 . 8 1 1 A 83 83 ALA CB C 125 19.756 18.939 0.817 1 1 997 . 8 1 1 A 83 83 ALA N N 125 119.130 118.499 0.631 1 1 998 . 8 1 1 A 84 84 GLY H H 126 7.780 8.173 -0.393 1 1 999 . 8 1 1 A 84 84 GLY HA2 H 126 4.111 3.882 0.229 1 1 1000 . 8 1 1 A 84 84 GLY HA3 H 126 3.505 3.966 -0.461 1 1 1001 . 8 1 1 A 84 84 GLY C C 126 173.562 173.835 -0.273 1 1 1002 . 8 1 1 A 84 84 GLY CA C 126 44.610 45.822 -1.212 1 1 1003 . 8 1 1 A 84 84 GLY N N 126 104.120 107.796 -3.676 1 1 1004 . 8 1 1 A 85 85 TYR H H 127 7.910 8.390 -0.480 1 1 1005 . 8 1 1 A 85 85 TYR HA H 127 4.551 4.190 0.361 1 1 1012 . 8 1 1 A 85 85 TYR C C 127 177.192 175.974 1.218 1 1 1013 . 8 1 1 A 85 85 TYR CA C 127 59.610 58.048 1.562 1 1 1014 . 8 1 1 A 85 85 TYR CB C 127 37.110 36.702 0.408 1 1 1015 . 8 1 1 A 85 85 TYR N N 127 120.310 121.214 -0.904 1 1 1016 . 8 1 1 A 86 86 LEU H H 128 7.835 8.380 -0.545 1 1 1017 . 8 1 1 A 86 86 LEU HA H 128 4.357 4.570 -0.213 1 1 1027 . 8 1 1 A 86 86 LEU C C 128 178.503 176.109 2.394 1 1 1028 . 8 1 1 A 86 86 LEU CA C 128 54.456 54.236 0.220 1 1 1029 . 8 1 1 A 86 86 LEU CB C 128 43.203 42.505 0.698 1 1 1033 . 8 1 1 A 86 86 LEU N N 128 120.100 121.595 -1.495 1 1 1034 . 8 1 1 A 87 87 LYS H H 129 9.330 7.857 1.473 1 1 1035 . 8 1 1 A 87 87 LYS HA H 129 4.512 4.604 -0.092 1 1 1044 . 8 1 1 A 87 87 LYS C C 129 173.251 174.912 -1.661 1 1 1045 . 8 1 1 A 87 87 LYS CA C 129 54.922 55.467 -0.545 1 1 1046 . 8 1 1 A 87 87 LYS CB C 129 31.000 33.408 -2.408 1 1 1050 . 8 1 1 A 87 87 LYS N N 129 125.180 118.703 6.477 1 1 1051 . 8 1 1 A 88 88 ILE H H 130 7.589 8.411 -0.822 1 1 1052 . 8 1 1 A 88 88 ILE HA H 130 5.015 4.861 0.154 1 1 1062 . 8 1 1 A 88 88 ILE C C 130 176.481 175.621 0.860 1 1 1063 . 8 1 1 A 88 88 ILE CA C 130 58.672 59.707 -1.035 1 1 1064 . 8 1 1 A 88 88 ILE CB C 130 40.391 39.077 1.314 1 1 1068 . 8 1 1 A 88 88 ILE N N 130 122.487 125.461 -2.974 1 1 1069 . 8 1 1 A 89 89 GLY H H 131 8.960 8.994 -0.034 1 1 1070 . 8 1 1 A 89 89 GLY HA2 H 131 4.543 3.459 1.084 1 1 1071 . 8 1 1 A 89 89 GLY HA3 H 131 3.488 3.809 -0.321 1 1 1072 . 8 1 1 A 89 89 GLY C C 131 171.936 172.291 -0.355 1 1 1073 . 8 1 1 A 89 89 GLY CA C 131 44.610 45.130 -0.520 1 1 1074 . 8 1 1 A 89 89 GLY N N 131 115.300 115.804 -0.504 1 1 1075 . 8 1 1 A 90 90 LEU H H 132 8.610 9.027 -0.417 1 1 1076 . 8 1 1 A 90 90 LEU HA H 132 5.061 4.664 0.397 1 1 1086 . 8 1 1 A 90 90 LEU C C 132 177.246 176.376 0.870 1 1 1087 . 8 1 1 A 90 90 LEU CA C 132 54.453 53.651 0.802 1 1 1088 . 8 1 1 A 90 90 LEU CB C 132 42.735 41.476 1.259 1 1 1092 . 8 1 1 A 90 90 LEU N N 132 124.560 125.214 -0.654 1 1 1093 . 8 1 1 A 91 91 VAL H H 133 8.630 8.474 0.156 1 1 1094 . 8 1 1 A 91 91 VAL HA H 133 4.299 3.794 0.505 1 1 1102 . 8 1 1 A 91 91 VAL C C 133 176.296 177.124 -0.828 1 1 1103 . 8 1 1 A 91 91 VAL CA C 133 61.953 63.595 -1.642 1 1 1104 . 8 1 1 A 91 91 VAL CB C 133 33.360 31.745 1.615 1 1 1107 . 8 1 1 A 91 91 VAL N N 133 123.280 125.518 -2.238 1 1 1108 . 8 1 1 A 92 92 GLY H H 134 8.620 9.172 -0.552 1 1 1109 . 8 1 1 A 92 92 GLY HA2 H 134 4.154 3.892 0.262 1 1 1110 . 8 1 1 A 92 92 GLY HA3 H 134 4.007 3.895 0.112 1 1 1111 . 8 1 1 A 92 92 GLY C C 134 174.157 174.703 -0.546 1 1 1112 . 8 1 1 A 92 92 GLY CA C 134 45.097 46.882 -1.785 1 1 1113 . 8 1 1 A 92 92 GLY N N 134 112.500 116.417 -3.917 1 1 1114 . 8 1 1 A 93 93 GLU H H 135 8.278 8.004 0.274 1 1 1115 . 8 1 1 A 93 93 GLU HA H 135 4.387 4.349 0.038 1 1 1120 . 8 1 1 A 93 93 GLU C C 135 176.500 175.266 1.234 1 1 1121 . 8 1 1 A 93 93 GLU CA C 135 56.797 55.150 1.647 1 1 1122 . 8 1 1 A 93 93 GLU CB C 135 29.141 27.892 1.249 1 1 1124 . 8 1 1 A 93 93 GLU N N 135 119.460 120.596 -1.136 1 1 1125 . 8 1 1 A 94 94 GLU H H 136 8.680 8.116 0.564 1 1 1126 . 8 1 1 A 94 94 GLU HA H 136 4.387 4.469 -0.082 1 1 1131 . 8 1 1 A 94 94 GLU C C 136 176.970 175.165 1.805 1 1 1132 . 8 1 1 A 94 94 GLU CA C 136 56.797 55.433 1.364 1 1 1133 . 8 1 1 A 94 94 GLU CB C 136 29.141 28.855 0.286 1 1 1135 . 8 1 1 A 94 94 GLU N N 136 121.740 125.839 -4.099 1 1 1136 . 8 1 1 A 95 95 THR H H 137 8.221 8.256 -0.035 1 1 1137 . 8 1 1 A 95 95 THR HA H 137 4.228 4.657 -0.429 1 1 1142 . 8 1 1 A 95 95 THR C C 137 174.880 174.450 0.430 1 1 1143 . 8 1 1 A 95 95 THR CA C 137 62.422 62.489 -0.067 1 1 1144 . 8 1 1 A 95 95 THR CB C 137 69.454 69.952 -0.498 1 1 1146 . 8 1 1 A 95 95 THR N N 137 115.380 120.234 -4.854 1 1 1147 . 8 1 1 A 96 96 ALA H H 138 8.311 8.732 -0.421 1 1 1148 . 8 1 1 A 96 96 ALA HA H 138 4.233 4.849 -0.616 1 1 1152 . 8 1 1 A 96 96 ALA C C 138 178.469 175.694 2.775 1 1 1153 . 8 1 1 A 96 96 ALA CA C 138 53.516 51.524 1.992 1 1 1154 . 8 1 1 A 96 96 ALA CB C 138 18.828 23.018 -4.190 1 1 1155 . 8 1 1 A 96 96 ALA N N 138 125.688 126.147 -0.459 1 1 1156 . 8 1 1 A 97 97 LYS H H 139 8.210 8.617 -0.407 1 1 1157 . 8 1 1 A 97 97 LYS HA H 139 4.163 4.506 -0.343 1 1 1166 . 8 1 1 A 97 97 LYS C C 139 177.154 175.526 1.628 1 1 1167 . 8 1 1 A 97 97 LYS CA C 139 57.265 56.597 0.668 1 1 1168 . 8 1 1 A 97 97 LYS CB C 139 32.891 33.541 -0.650 1 1 1172 . 8 1 1 A 97 97 LYS N N 139 120.110 122.726 -2.616 1 1 1173 . 8 1 1 A 98 98 ALA H H 140 8.170 8.631 -0.461 1 1 1174 . 8 1 1 A 98 98 ALA HA H 140 4.209 4.822 -0.613 1 1 1178 . 8 1 1 A 98 98 ALA C C 140 178.469 175.033 3.436 1 1 1179 . 8 1 1 A 98 98 ALA CA C 140 53.516 51.133 2.383 1 1 1180 . 8 1 1 A 98 98 ALA CB C 140 18.828 23.988 -5.160 1 1 1181 . 8 1 1 A 98 98 ALA N N 140 124.210 123.923 0.287 1 1 1 . 9 1 1 A 2 2 ASP H H 44 8.930 8.392 0.538 1 1 2 . 9 1 1 A 2 2 ASP HA H 44 4.860 5.400 -0.540 1 1 5 . 9 1 1 A 2 2 ASP C C 44 175.278 174.682 0.596 1 1 6 . 9 1 1 A 2 2 ASP CA C 44 53.516 53.368 0.148 1 1 7 . 9 1 1 A 2 2 ASP CB C 44 39.397 43.950 -4.553 1 1 8 . 9 1 1 A 2 2 ASP N N 44 122.920 123.146 -0.226 1 1 9 . 9 1 1 A 3 3 VAL H H 45 8.329 8.733 -0.404 1 1 10 . 9 1 1 A 3 3 VAL HA H 45 4.120 4.956 -0.836 1 1 18 . 9 1 1 A 3 3 VAL C C 45 175.938 174.595 1.343 1 1 19 . 9 1 1 A 3 3 VAL CA C 45 62.422 58.837 3.585 1 1 20 . 9 1 1 A 3 3 VAL CB C 45 32.300 36.222 -3.922 1 1 23 . 9 1 1 A 3 3 VAL N N 45 121.541 118.869 2.672 1 1 24 . 9 1 1 A 4 4 LYS H H 46 8.400 8.653 -0.253 1 1 25 . 9 1 1 A 4 4 LYS HA H 46 4.387 4.811 -0.424 1 1 34 . 9 1 1 A 4 4 LYS C C 46 176.333 175.434 0.899 1 1 35 . 9 1 1 A 4 4 LYS CA C 46 56.270 55.287 0.983 1 1 36 . 9 1 1 A 4 4 LYS CB C 46 32.874 33.291 -0.417 1 1 40 . 9 1 1 A 4 4 LYS N N 46 125.410 121.262 4.148 1 1 42 . 9 1 1 A 5 5 VAL H H 47 8.190 8.624 -0.434 1 1 43 . 9 1 1 A 5 5 VAL HA H 47 4.118 5.074 -0.956 1 1 51 . 9 1 1 A 5 5 VAL C C 47 175.567 174.394 1.173 1 1 52 . 9 1 1 A 5 5 VAL CA C 47 61.954 59.320 2.634 1 1 53 . 9 1 1 A 5 5 VAL CB C 47 32.443 35.781 -3.338 1 1 56 . 9 1 1 A 5 5 VAL N N 47 121.672 119.045 2.627 1 1 57 . 9 1 1 A 6 6 ASN H H 48 8.571 8.735 -0.164 1 1 58 . 9 1 1 A 6 6 ASN HA H 48 4.750 5.295 -0.545 1 1 61 . 9 1 1 A 6 6 ASN C C 48 174.566 173.646 0.920 1 1 62 . 9 1 1 A 6 6 ASN CA C 48 53.047 53.387 -0.340 1 1 63 . 9 1 1 A 6 6 ASN CB C 48 38.901 40.986 -2.085 1 1 64 . 9 1 1 A 6 6 ASN N N 48 123.230 119.039 4.191 1 1 65 . 9 1 1 A 7 7 LEU H H 49 8.286 8.852 -0.566 1 1 66 . 9 1 1 A 7 7 LEU HA H 49 4.632 4.965 -0.333 1 1 76 . 9 1 1 A 7 7 LEU C C 49 175.162 174.346 0.816 1 1 77 . 9 1 1 A 7 7 LEU CA C 49 53.047 51.218 1.829 1 1 78 . 9 1 1 A 7 7 LEU CB C 49 41.825 44.722 -2.897 1 1 82 . 9 1 1 A 7 7 LEU N N 49 124.491 122.796 1.695 1 1 83 . 9 1 1 A 8 8 PRO HA H 50 4.443 4.688 -0.245 1 1 90 . 9 1 1 A 8 8 PRO C C 50 176.734 175.700 1.034 1 1 91 . 9 1 1 A 8 8 PRO CA C 50 62.903 62.682 0.221 1 1 92 . 9 1 1 A 8 8 PRO CB C 50 31.839 33.211 -1.372 1 1 95 . 9 1 1 A 9 9 ALA H H 51 8.424 8.378 0.046 1 1 96 . 9 1 1 A 9 9 ALA HA H 51 4.330 4.851 -0.521 1 1 100 . 9 1 1 A 9 9 ALA C C 51 178.124 175.478 2.646 1 1 101 . 9 1 1 A 9 9 ALA CA C 51 52.578 52.082 0.496 1 1 102 . 9 1 1 A 9 9 ALA CB C 51 19.297 20.290 -0.993 1 1 103 . 9 1 1 A 9 9 ALA N N 51 124.364 121.651 2.713 1 1 104 . 9 1 1 A 10 10 SER H H 52 8.380 8.632 -0.252 1 1 105 . 9 1 1 A 10 10 SER HA H 52 4.223 4.948 -0.725 1 1 108 . 9 1 1 A 10 10 SER C C 52 174.982 172.406 2.576 1 1 109 . 9 1 1 A 10 10 SER CA C 52 58.672 57.955 0.717 1 1 110 . 9 1 1 A 10 10 SER CB C 52 63.829 64.481 -0.652 1 1 111 . 9 1 1 A 10 10 SER N N 52 114.800 118.264 -3.464 1 1 112 . 9 1 1 A 11 11 THR H H 53 8.227 8.744 -0.517 1 1 113 . 9 1 1 A 11 11 THR HA H 53 4.478 4.673 -0.195 1 1 118 . 9 1 1 A 11 11 THR C C 53 174.612 172.232 2.380 1 1 119 . 9 1 1 A 11 11 THR CA C 53 61.922 61.250 0.672 1 1 120 . 9 1 1 A 11 11 THR CB C 53 69.922 70.020 -0.098 1 1 122 . 9 1 1 A 11 11 THR N N 53 115.236 120.786 -5.550 1 1 123 . 9 1 1 A 12 12 SER H H 54 8.330 8.626 -0.296 1 1 124 . 9 1 1 A 12 12 SER HA H 54 4.559 4.715 -0.156 1 1 127 . 9 1 1 A 12 12 SER C C 54 174.299 173.397 0.902 1 1 128 . 9 1 1 A 12 12 SER CA C 54 58.204 58.381 -0.177 1 1 129 . 9 1 1 A 12 12 SER CB C 54 63.891 63.802 0.089 1 1 130 . 9 1 1 A 12 12 SER N N 54 117.770 120.550 -2.780 1 1 131 . 9 1 1 A 13 13 THR H H 55 8.274 8.677 -0.403 1 1 132 . 9 1 1 A 13 13 THR HA H 55 4.624 4.909 -0.285 1 1 137 . 9 1 1 A 13 13 THR C C 55 170.400 173.351 -2.951 1 1 138 . 9 1 1 A 13 13 THR CA C 55 60.079 58.834 1.245 1 1 139 . 9 1 1 A 13 13 THR CB C 55 69.922 68.921 1.001 1 1 141 . 9 1 1 A 13 13 THR N N 55 118.865 116.071 2.794 1 1 142 . 9 1 1 A 14 14 PRO HA H 56 4.458 4.635 -0.177 1 1 149 . 9 1 1 A 14 14 PRO C C 56 176.748 175.149 1.599 1 1 150 . 9 1 1 A 14 14 PRO CA C 56 63.076 62.353 0.723 1 1 151 . 9 1 1 A 14 14 PRO CB C 56 32.043 33.053 -1.010 1 1 154 . 9 1 1 A 15 15 GLN H H 57 8.547 8.450 0.097 1 1 155 . 9 1 1 A 15 15 GLN HA H 57 4.620 4.798 -0.178 1 1 160 . 9 1 1 A 15 15 GLN CA C 57 53.600 52.842 0.758 1 1 161 . 9 1 1 A 15 15 GLN CB C 57 29.141 31.621 -2.480 1 1 163 . 9 1 1 A 15 15 GLN N N 57 122.041 118.211 3.830 1 1 165 . 9 1 1 A 16 16 PRO HA H 58 4.458 4.785 -0.327 1 1 172 . 9 1 1 A 16 16 PRO C C 58 176.620 175.812 0.808 1 1 173 . 9 1 1 A 16 16 PRO CA C 58 62.872 62.887 -0.015 1 1 174 . 9 1 1 A 16 16 PRO CB C 58 32.111 33.260 -1.149 1 1 177 . 9 1 1 A 17 17 ARG H H 59 8.511 8.428 0.083 1 1 178 . 9 1 1 A 17 17 ARG HA H 59 4.643 4.936 -0.293 1 1 185 . 9 1 1 A 17 17 ARG CA C 59 53.985 53.688 0.297 1 1 186 . 9 1 1 A 17 17 ARG CB C 59 30.195 31.219 -1.024 1 1 189 . 9 1 1 A 17 17 ARG N N 59 122.731 121.209 1.522 1 1 190 . 9 1 1 A 18 18 PRO HA H 60 4.458 4.626 -0.168 1 1 197 . 9 1 1 A 18 18 PRO C C 60 176.892 175.424 1.468 1 1 198 . 9 1 1 A 18 18 PRO CA C 60 62.940 62.398 0.542 1 1 199 . 9 1 1 A 18 18 PRO CB C 60 32.891 32.933 -0.042 1 1 202 . 9 1 1 A 19 19 GLU H H 61 8.480 8.575 -0.095 1 1 203 . 9 1 1 A 19 19 GLU HA H 61 4.391 4.957 -0.566 1 1 208 . 9 1 1 A 19 19 GLU C C 61 176.174 176.192 -0.018 1 1 209 . 9 1 1 A 19 19 GLU CA C 61 54.922 55.684 -0.762 1 1 210 . 9 1 1 A 19 19 GLU CB C 61 29.141 31.633 -2.492 1 1 212 . 9 1 1 A 19 19 GLU N N 61 120.840 120.386 0.454 1 1 213 . 9 1 1 A 20 20 LYS H H 62 8.502 9.096 -0.594 1 1 214 . 9 1 1 A 20 20 LYS HA H 62 4.620 4.984 -0.364 1 1 223 . 9 1 1 A 20 20 LYS C C 62 171.420 173.635 -2.215 1 1 224 . 9 1 1 A 20 20 LYS CA C 62 54.827 53.843 0.984 1 1 225 . 9 1 1 A 20 20 LYS CB C 62 32.422 35.657 -3.235 1 1 229 . 9 1 1 A 20 20 LYS N N 62 125.117 121.399 3.718 1 1 230 . 9 1 1 A 21 21 PRO HA H 63 4.448 4.543 -0.095 1 1 237 . 9 1 1 A 21 21 PRO CA C 63 62.261 62.579 -0.318 1 1 238 . 9 1 1 A 21 21 PRO CB C 63 32.422 32.280 0.142 1 1 241 . 9 1 1 A 22 22 VAL H H 64 8.570 8.543 0.027 1 1 242 . 9 1 1 A 22 22 VAL HA H 64 4.097 4.481 -0.384 1 1 250 . 9 1 1 A 22 22 VAL C C 64 173.862 174.271 -0.409 1 1 251 . 9 1 1 A 22 22 VAL CA C 64 61.000 61.540 -0.540 1 1 252 . 9 1 1 A 22 22 VAL CB C 64 33.770 33.223 0.547 1 1 255 . 9 1 1 A 22 22 VAL N N 64 120.453 122.336 -1.883 1 1 256 . 9 1 1 A 23 23 TYR H H 65 8.600 9.119 -0.519 1 1 257 . 9 1 1 A 23 23 TYR HA H 65 5.207 5.416 -0.209 1 1 264 . 9 1 1 A 23 23 TYR C C 65 174.916 174.126 0.790 1 1 265 . 9 1 1 A 23 23 TYR CA C 65 57.210 56.070 1.140 1 1 266 . 9 1 1 A 23 23 TYR CB C 65 39.454 41.791 -2.337 1 1 267 . 9 1 1 A 23 23 TYR N N 65 124.580 128.667 -4.087 1 1 268 . 9 1 1 A 24 24 LEU H H 66 9.186 9.380 -0.194 1 1 269 . 9 1 1 A 24 24 LEU HA H 66 5.261 5.093 0.168 1 1 279 . 9 1 1 A 24 24 LEU C C 66 175.491 176.057 -0.566 1 1 280 . 9 1 1 A 24 24 LEU CA C 66 53.516 54.164 -0.648 1 1 281 . 9 1 1 A 24 24 LEU CB C 66 45.078 43.584 1.494 1 1 285 . 9 1 1 A 24 24 LEU N N 66 128.669 128.076 0.593 1 1 286 . 9 1 1 A 25 25 SER H H 67 9.300 9.165 0.135 1 1 287 . 9 1 1 A 25 25 SER HA H 67 5.637 5.158 0.479 1 1 290 . 9 1 1 A 25 25 SER C C 67 173.470 173.732 -0.262 1 1 291 . 9 1 1 A 25 25 SER CA C 67 56.784 57.775 -0.991 1 1 292 . 9 1 1 A 25 25 SER CB C 67 65.267 64.902 0.365 1 1 293 . 9 1 1 A 25 25 SER N N 67 120.290 123.330 -3.040 1 1 294 . 9 1 1 A 26 26 VAL H H 68 8.600 8.646 -0.046 1 1 295 . 9 1 1 A 26 26 VAL HA H 68 4.847 5.250 -0.403 1 1 303 . 9 1 1 A 26 26 VAL C C 68 175.205 174.802 0.403 1 1 304 . 9 1 1 A 26 26 VAL CA C 68 60.950 60.462 0.488 1 1 305 . 9 1 1 A 26 26 VAL CB C 68 33.770 34.444 -0.674 1 1 308 . 9 1 1 A 26 26 VAL N N 68 123.723 124.638 -0.915 1 1 309 . 9 1 1 A 27 27 LYS H H 69 8.760 8.826 -0.066 1 1 310 . 9 1 1 A 27 27 LYS HA H 69 4.630 4.769 -0.139 1 1 319 . 9 1 1 A 27 27 LYS C C 69 176.007 176.087 -0.080 1 1 320 . 9 1 1 A 27 27 LYS CA C 69 62.400 54.329 8.071 1 1 321 . 9 1 1 A 27 27 LYS CB C 69 33.820 35.589 -1.769 1 1 325 . 9 1 1 A 27 27 LYS N N 69 126.000 123.814 2.186 1 1 326 . 9 1 1 A 28 28 ALA H H 70 8.728 8.712 0.016 1 1 327 . 9 1 1 A 28 28 ALA HA H 70 4.018 3.910 0.108 1 1 331 . 9 1 1 A 28 28 ALA C C 70 177.852 177.340 0.512 1 1 332 . 9 1 1 A 28 28 ALA CA C 70 53.985 54.270 -0.285 1 1 333 . 9 1 1 A 28 28 ALA CB C 70 19.297 17.869 1.428 1 1 334 . 9 1 1 A 28 28 ALA N N 70 124.480 121.400 3.080 1 1 335 . 9 1 1 A 29 29 ASP H H 71 8.256 9.054 -0.798 1 1 336 . 9 1 1 A 29 29 ASP HA H 71 4.497 4.438 0.059 1 1 339 . 9 1 1 A 29 29 ASP C C 71 176.455 176.128 0.327 1 1 340 . 9 1 1 A 29 29 ASP CA C 71 53.985 57.211 -3.226 1 1 341 . 9 1 1 A 29 29 ASP CB C 71 39.315 40.943 -1.628 1 1 342 . 9 1 1 A 29 29 ASP N N 71 118.722 119.008 -0.286 1 1 343 . 9 1 1 A 30 30 ASN H H 72 8.380 7.669 0.711 1 1 344 . 9 1 1 A 30 30 ASN HA H 72 4.374 5.120 -0.746 1 1 349 . 9 1 1 A 30 30 ASN C C 72 174.641 173.530 1.111 1 1 350 . 9 1 1 A 30 30 ASN CA C 72 54.453 52.802 1.651 1 1 351 . 9 1 1 A 30 30 ASN CB C 72 37.579 39.839 -2.260 1 1 352 . 9 1 1 A 30 30 ASN N N 72 113.000 111.972 1.028 1 1 353 . 9 1 1 A 31 31 SER H H 73 7.710 8.667 -0.957 1 1 354 . 9 1 1 A 31 31 SER HA H 73 4.404 5.262 -0.858 1 1 357 . 9 1 1 A 31 31 SER C C 73 172.527 172.992 -0.465 1 1 358 . 9 1 1 A 31 31 SER CA C 73 58.672 57.018 1.654 1 1 359 . 9 1 1 A 31 31 SER CB C 73 63.303 66.109 -2.806 1 1 360 . 9 1 1 A 31 31 SER N N 73 115.080 117.933 -2.853 1 1 361 . 9 1 1 A 32 32 MET H H 74 8.065 8.711 -0.646 1 1 362 . 9 1 1 A 32 32 MET HA H 74 5.573 5.126 0.447 1 1 370 . 9 1 1 A 32 32 MET C C 74 174.974 175.712 -0.738 1 1 371 . 9 1 1 A 32 32 MET CA C 74 54.397 54.098 0.299 1 1 372 . 9 1 1 A 32 32 MET CB C 74 37.579 33.088 4.491 1 1 375 . 9 1 1 A 32 32 MET N N 74 121.780 125.136 -3.356 1 1 376 . 9 1 1 A 33 33 PHE H H 75 8.900 8.869 0.031 1 1 377 . 9 1 1 A 33 33 PHE HA H 75 5.190 4.926 0.264 1 1 384 . 9 1 1 A 33 33 PHE C C 75 175.228 174.493 0.735 1 1 385 . 9 1 1 A 33 33 PHE CA C 75 56.797 57.657 -0.860 1 1 386 . 9 1 1 A 33 33 PHE CB C 75 44.141 40.711 3.430 1 1 387 . 9 1 1 A 33 33 PHE N N 75 118.800 123.464 -4.664 1 1 388 . 9 1 1 A 34 34 ILE H H 76 8.830 8.436 0.394 1 1 389 . 9 1 1 A 34 34 ILE HA H 76 4.851 4.443 0.408 1 1 399 . 9 1 1 A 34 34 ILE C C 76 177.606 176.707 0.899 1 1 400 . 9 1 1 A 34 34 ILE CA C 76 59.610 60.944 -1.334 1 1 401 . 9 1 1 A 34 34 ILE CB C 76 37.990 38.127 -0.137 1 1 405 . 9 1 1 A 34 34 ILE N N 76 121.330 128.366 -7.036 1 1 406 . 9 1 1 A 35 35 GLY H H 77 9.177 8.739 0.438 1 1 407 . 9 1 1 A 35 35 GLY HA2 H 77 4.139 3.841 0.298 1 1 408 . 9 1 1 A 35 35 GLY HA3 H 77 3.742 3.848 -0.106 1 1 409 . 9 1 1 A 35 35 GLY C C 77 174.757 175.241 -0.484 1 1 410 . 9 1 1 A 35 35 GLY CA C 77 47.422 46.789 0.633 1 1 411 . 9 1 1 A 35 35 GLY N N 77 118.894 111.826 7.068 1 1 412 . 9 1 1 A 36 36 ASN H H 78 9.170 9.047 0.123 1 1 413 . 9 1 1 A 36 36 ASN HA H 78 4.846 4.425 0.421 1 1 416 . 9 1 1 A 36 36 ASN C C 78 174.867 174.020 0.847 1 1 417 . 9 1 1 A 36 36 ASN CA C 78 52.578 55.002 -2.424 1 1 418 . 9 1 1 A 36 36 ASN CB C 78 38.985 37.477 1.508 1 1 419 . 9 1 1 A 36 36 ASN N N 78 125.494 121.779 3.715 1 1 420 . 9 1 1 A 37 37 ASP H H 79 8.590 8.401 0.189 1 1 421 . 9 1 1 A 37 37 ASP HA H 79 5.330 5.132 0.198 1 1 424 . 9 1 1 A 37 37 ASP C C 79 173.009 172.979 0.030 1 1 425 . 9 1 1 A 37 37 ASP CA C 79 51.172 51.535 -0.363 1 1 426 . 9 1 1 A 37 37 ASP CB C 79 39.922 41.630 -1.708 1 1 427 . 9 1 1 A 37 37 ASP N N 79 121.409 117.811 3.598 1 1 428 . 9 1 1 A 38 38 PRO HA H 80 4.320 4.447 -0.127 1 1 435 . 9 1 1 A 38 38 PRO C C 80 176.862 176.338 0.524 1 1 436 . 9 1 1 A 38 38 PRO CA C 80 62.422 62.392 0.030 1 1 437 . 9 1 1 A 38 38 PRO CB C 80 32.890 31.670 1.220 1 1 440 . 9 1 1 A 39 39 VAL H H 81 8.001 7.984 0.017 1 1 441 . 9 1 1 A 39 39 VAL HA H 81 4.522 5.076 -0.554 1 1 449 . 9 1 1 A 39 39 VAL C C 81 173.912 173.881 0.031 1 1 450 . 9 1 1 A 39 39 VAL CA C 81 59.141 59.413 -0.272 1 1 451 . 9 1 1 A 39 39 VAL CB C 81 36.172 36.586 -0.414 1 1 454 . 9 1 1 A 39 39 VAL N N 81 115.450 116.456 -1.006 1 1 455 . 9 1 1 A 40 40 THR H H 82 7.672 8.449 -0.777 1 1 456 . 9 1 1 A 40 40 THR HA H 82 4.746 4.676 0.070 1 1 461 . 9 1 1 A 40 40 THR C C 82 175.692 175.240 0.452 1 1 462 . 9 1 1 A 40 40 THR CA C 82 59.121 60.439 -1.318 1 1 463 . 9 1 1 A 40 40 THR CB C 82 72.735 72.637 0.098 1 1 465 . 9 1 1 A 40 40 THR N N 82 110.320 115.979 -5.659 1 1 466 . 9 1 1 A 41 41 ASP H H 83 9.370 9.026 0.344 1 1 467 . 9 1 1 A 41 41 ASP HA H 83 4.314 4.527 -0.213 1 1 470 . 9 1 1 A 41 41 ASP C C 83 176.943 177.006 -0.063 1 1 471 . 9 1 1 A 41 41 ASP CA C 83 56.797 55.801 0.996 1 1 472 . 9 1 1 A 41 41 ASP CB C 83 38.047 39.894 -1.847 1 1 473 . 9 1 1 A 41 41 ASP N N 83 118.710 122.476 -3.766 1 1 474 . 9 1 1 A 42 42 GLU H H 84 8.228 8.147 0.081 1 1 475 . 9 1 1 A 42 42 GLU HA H 84 4.336 4.341 -0.005 1 1 480 . 9 1 1 A 42 42 GLU C C 84 177.827 177.745 0.082 1 1 481 . 9 1 1 A 42 42 GLU CA C 84 58.204 57.840 0.364 1 1 482 . 9 1 1 A 42 42 GLU CB C 84 29.141 30.388 -1.247 1 1 484 . 9 1 1 A 42 42 GLU N N 84 115.213 119.693 -4.480 1 1 485 . 9 1 1 A 43 43 THR H H 85 7.510 7.801 -0.291 1 1 486 . 9 1 1 A 43 43 THR HA H 85 4.664 4.575 0.089 1 1 491 . 9 1 1 A 43 43 THR C C 85 175.799 175.499 0.300 1 1 492 . 9 1 1 A 43 43 THR CA C 85 61.395 61.002 0.393 1 1 493 . 9 1 1 A 43 43 THR CB C 85 70.391 69.298 1.093 1 1 495 . 9 1 1 A 43 43 THR N N 85 108.315 113.440 -5.125 1 1 496 . 9 1 1 A 44 44 MET H H 86 7.900 7.981 -0.081 1 1 497 . 9 1 1 A 44 44 MET HA H 86 3.820 4.281 -0.461 1 1 505 . 9 1 1 A 44 44 MET C C 86 176.605 178.493 -1.888 1 1 506 . 9 1 1 A 44 44 MET CA C 86 60.547 58.068 2.479 1 1 507 . 9 1 1 A 44 44 MET CB C 86 32.422 32.501 -0.079 1 1 510 . 9 1 1 A 44 44 MET N N 86 121.500 120.222 1.278 1 1 511 . 9 1 1 A 45 45 ILE H H 87 8.430 7.944 0.486 1 1 512 . 9 1 1 A 45 45 ILE HA H 87 3.686 3.795 -0.109 1 1 522 . 9 1 1 A 45 45 ILE C C 87 177.773 177.991 -0.218 1 1 523 . 9 1 1 A 45 45 ILE CA C 87 62.934 64.345 -1.411 1 1 524 . 9 1 1 A 45 45 ILE CB C 87 34.766 36.722 -1.956 1 1 528 . 9 1 1 A 45 45 ILE N N 87 117.970 119.698 -1.728 1 1 529 . 9 1 1 A 46 46 THR H H 88 8.070 8.248 -0.178 1 1 530 . 9 1 1 A 46 46 THR HA H 88 3.953 4.096 -0.143 1 1 535 . 9 1 1 A 46 46 THR C C 88 177.011 177.219 -0.208 1 1 536 . 9 1 1 A 46 46 THR CA C 88 66.640 65.419 1.221 1 1 537 . 9 1 1 A 46 46 THR CB C 88 68.000 68.220 -0.220 1 1 539 . 9 1 1 A 46 46 THR N N 88 116.920 113.552 3.368 1 1 540 . 9 1 1 A 47 47 ALA H H 89 7.710 7.720 -0.010 1 1 541 . 9 1 1 A 47 47 ALA HA H 89 4.240 4.147 0.093 1 1 545 . 9 1 1 A 47 47 ALA C C 89 174.356 179.978 -5.622 1 1 546 . 9 1 1 A 47 47 ALA CA C 89 55.094 54.551 0.543 1 1 547 . 9 1 1 A 47 47 ALA CB C 89 18.828 18.520 0.308 1 1 548 . 9 1 1 A 47 47 ALA N N 89 123.490 124.532 -1.042 1 1 549 . 9 1 1 A 48 48 LEU H H 90 8.570 7.873 0.697 1 1 550 . 9 1 1 A 48 48 LEU HA H 90 3.445 4.135 -0.690 1 1 560 . 9 1 1 A 48 48 LEU C C 90 178.088 178.445 -0.357 1 1 561 . 9 1 1 A 48 48 LEU CA C 90 67.110 57.881 9.229 1 1 562 . 9 1 1 A 48 48 LEU CB C 90 31.420 41.748 -10.328 1 1 566 . 9 1 1 A 48 48 LEU N N 90 119.800 121.214 -1.414 1 1 567 . 9 1 1 A 49 49 ASN H H 91 8.979 7.851 1.128 1 1 568 . 9 1 1 A 49 49 ASN HA H 91 4.494 4.474 0.020 1 1 571 . 9 1 1 A 49 49 ASN C C 91 178.227 177.672 0.555 1 1 572 . 9 1 1 A 49 49 ASN CA C 91 54.397 56.194 -1.797 1 1 573 . 9 1 1 A 49 49 ASN CB C 91 37.578 38.235 -0.657 1 1 574 . 9 1 1 A 49 49 ASN N N 91 117.500 116.748 0.752 1 1 575 . 9 1 1 A 50 50 ALA H H 92 7.710 7.463 0.247 1 1 576 . 9 1 1 A 50 50 ALA HA H 92 4.232 4.082 0.150 1 1 580 . 9 1 1 A 50 50 ALA C C 92 180.155 178.582 1.573 1 1 581 . 9 1 1 A 50 50 ALA CA C 92 54.886 54.122 0.764 1 1 582 . 9 1 1 A 50 50 ALA CB C 92 17.962 18.106 -0.144 1 1 583 . 9 1 1 A 50 50 ALA N N 92 120.900 122.234 -1.334 1 1 584 . 9 1 1 A 51 51 LEU H H 93 7.670 7.488 0.182 1 1 585 . 9 1 1 A 51 51 LEU HA H 93 4.340 4.231 0.109 1 1 595 . 9 1 1 A 51 51 LEU C C 93 179.407 178.799 0.608 1 1 596 . 9 1 1 A 51 51 LEU CA C 93 56.829 56.726 0.103 1 1 597 . 9 1 1 A 51 51 LEU CB C 93 42.734 43.577 -0.843 1 1 601 . 9 1 1 A 51 51 LEU N N 93 117.980 115.753 2.227 1 1 602 . 9 1 1 A 52 52 THR H H 94 8.530 8.314 0.216 1 1 603 . 9 1 1 A 52 52 THR HA H 94 4.437 4.372 0.065 1 1 608 . 9 1 1 A 52 52 THR C C 94 177.112 175.120 1.992 1 1 609 . 9 1 1 A 52 52 THR CA C 94 61.485 61.803 -0.318 1 1 610 . 9 1 1 A 52 52 THR CB C 94 70.860 69.004 1.856 1 1 612 . 9 1 1 A 52 52 THR N N 94 107.010 107.413 -0.403 1 1 613 . 9 1 1 A 53 53 GLU H H 95 8.001 8.311 -0.310 1 1 614 . 9 1 1 A 53 53 GLU HA H 95 4.062 4.249 -0.187 1 1 619 . 9 1 1 A 53 53 GLU C C 95 176.199 176.230 -0.031 1 1 620 . 9 1 1 A 53 53 GLU CA C 95 56.797 57.552 -0.755 1 1 621 . 9 1 1 A 53 53 GLU CB C 95 26.346 28.248 -1.902 1 1 623 . 9 1 1 A 53 53 GLU N N 95 117.560 121.196 -3.636 1 1 624 . 9 1 1 A 54 54 GLY H H 96 8.349 8.697 -0.348 1 1 625 . 9 1 1 A 54 54 GLY HA2 H 96 4.120 3.865 0.255 1 1 626 . 9 1 1 A 54 54 GLY HA3 H 96 3.520 3.882 -0.362 1 1 627 . 9 1 1 A 54 54 GLY C C 96 174.264 174.144 0.120 1 1 628 . 9 1 1 A 54 54 GLY CA C 96 44.600 46.237 -1.637 1 1 629 . 9 1 1 A 54 54 GLY N N 96 105.347 104.481 0.866 1 1 630 . 9 1 1 A 55 55 LYS H H 97 7.400 7.822 -0.422 1 1 631 . 9 1 1 A 55 55 LYS HA H 97 4.386 4.460 -0.074 1 1 640 . 9 1 1 A 55 55 LYS C C 97 177.395 175.802 1.593 1 1 641 . 9 1 1 A 55 55 LYS CA C 97 56.797 55.318 1.479 1 1 642 . 9 1 1 A 55 55 LYS CB C 97 30.522 33.302 -2.780 1 1 646 . 9 1 1 A 55 55 LYS N N 97 120.080 120.197 -0.117 1 1 647 . 9 1 1 A 56 56 LYS H H 98 8.510 8.528 -0.018 1 1 648 . 9 1 1 A 56 56 LYS HA H 98 3.940 4.598 -0.658 1 1 657 . 9 1 1 A 56 56 LYS C C 98 176.420 177.068 -0.648 1 1 658 . 9 1 1 A 56 56 LYS CA C 98 56.741 56.017 0.724 1 1 659 . 9 1 1 A 56 56 LYS CB C 98 30.079 32.834 -2.755 1 1 663 . 9 1 1 A 56 56 LYS N N 98 126.202 125.298 0.904 1 1 664 . 9 1 1 A 57 57 ASP H H 99 8.510 7.962 0.548 1 1 665 . 9 1 1 A 57 57 ASP HA H 99 4.570 4.379 0.191 1 1 668 . 9 1 1 A 57 57 ASP C C 99 174.777 177.757 -2.980 1 1 669 . 9 1 1 A 57 57 ASP CA C 99 52.991 57.503 -4.512 1 1 670 . 9 1 1 A 57 57 ASP CB C 99 38.516 40.599 -2.083 1 1 671 . 9 1 1 A 57 57 ASP N N 99 116.900 118.561 -1.661 1 1 672 . 9 1 1 A 58 58 THR H H 100 7.400 7.799 -0.399 1 1 673 . 9 1 1 A 58 58 THR HA H 100 3.971 4.218 -0.247 1 1 678 . 9 1 1 A 58 58 THR C C 100 172.742 174.396 -1.654 1 1 679 . 9 1 1 A 58 58 THR CA C 100 63.360 64.186 -0.826 1 1 680 . 9 1 1 A 58 58 THR CB C 100 70.391 69.141 1.250 1 1 682 . 9 1 1 A 58 58 THR N N 100 117.350 114.058 3.292 1 1 683 . 9 1 1 A 59 59 THR H H 101 8.414 8.755 -0.341 1 1 684 . 9 1 1 A 59 59 THR HA H 101 4.174 4.503 -0.329 1 1 689 . 9 1 1 A 59 59 THR C C 101 172.505 174.267 -1.762 1 1 690 . 9 1 1 A 59 59 THR CA C 101 63.829 64.183 -0.354 1 1 691 . 9 1 1 A 59 59 THR CB C 101 69.454 68.969 0.485 1 1 693 . 9 1 1 A 59 59 THR N N 101 123.260 122.657 0.603 1 1 694 . 9 1 1 A 60 60 ILE H H 102 8.190 8.619 -0.429 1 1 695 . 9 1 1 A 60 60 ILE HA H 102 4.399 4.967 -0.568 1 1 705 . 9 1 1 A 60 60 ILE C C 102 175.119 175.097 0.022 1 1 706 . 9 1 1 A 60 60 ILE CA C 102 58.204 60.161 -1.957 1 1 707 . 9 1 1 A 60 60 ILE CB C 102 38.047 39.590 -1.543 1 1 711 . 9 1 1 A 60 60 ILE N N 102 126.467 128.435 -1.968 1 1 712 . 9 1 1 A 61 61 PHE H H 103 8.900 8.797 0.103 1 1 713 . 9 1 1 A 61 61 PHE HA H 103 5.204 5.230 -0.026 1 1 720 . 9 1 1 A 61 61 PHE C C 103 174.877 174.743 0.134 1 1 721 . 9 1 1 A 61 61 PHE CA C 103 57.266 56.245 1.021 1 1 722 . 9 1 1 A 61 61 PHE CB C 103 40.860 39.850 1.010 1 1 723 . 9 1 1 A 61 61 PHE N N 103 125.650 126.869 -1.219 1 1 724 . 9 1 1 A 62 62 PHE H H 104 9.110 8.806 0.304 1 1 725 . 9 1 1 A 62 62 PHE HA H 104 5.590 4.877 0.713 1 1 732 . 9 1 1 A 62 62 PHE C C 104 174.407 173.824 0.583 1 1 733 . 9 1 1 A 62 62 PHE CA C 104 54.922 56.931 -2.009 1 1 734 . 9 1 1 A 62 62 PHE CB C 104 41.300 39.696 1.604 1 1 735 . 9 1 1 A 62 62 PHE N N 104 123.447 124.389 -0.942 1 1 736 . 9 1 1 A 63 63 ARG H H 105 9.020 8.796 0.224 1 1 737 . 9 1 1 A 63 63 ARG HA H 105 4.830 5.018 -0.188 1 1 744 . 9 1 1 A 63 63 ARG C C 105 173.862 174.511 -0.649 1 1 745 . 9 1 1 A 63 63 ARG CA C 105 54.453 54.689 -0.236 1 1 746 . 9 1 1 A 63 63 ARG CB C 105 32.422 32.099 0.323 1 1 749 . 9 1 1 A 63 63 ARG N N 105 126.020 128.680 -2.660 1 1 750 . 9 1 1 A 64 64 ALA H H 106 8.640 8.738 -0.098 1 1 751 . 9 1 1 A 64 64 ALA HA H 106 5.223 5.056 0.167 1 1 755 . 9 1 1 A 64 64 ALA C C 106 176.565 177.051 -0.486 1 1 756 . 9 1 1 A 64 64 ALA CA C 106 50.235 50.348 -0.113 1 1 757 . 9 1 1 A 64 64 ALA CB C 106 22.110 20.459 1.651 1 1 758 . 9 1 1 A 64 64 ALA N N 106 126.540 129.770 -3.230 1 1 759 . 9 1 1 A 65 65 ASP H H 107 7.900 8.587 -0.687 1 1 760 . 9 1 1 A 65 65 ASP HA H 107 4.685 4.606 0.079 1 1 763 . 9 1 1 A 65 65 ASP C C 107 176.987 177.730 -0.743 1 1 764 . 9 1 1 A 65 65 ASP CA C 107 54.453 54.522 -0.069 1 1 765 . 9 1 1 A 65 65 ASP CB C 107 42.209 41.912 0.297 1 1 766 . 9 1 1 A 65 65 ASP N N 107 121.600 121.317 0.283 1 1 767 . 9 1 1 A 66 66 LYS H H 108 8.700 8.896 -0.196 1 1 768 . 9 1 1 A 66 66 LYS HA H 108 4.221 4.054 0.167 1 1 777 . 9 1 1 A 66 66 LYS C C 108 177.007 176.881 0.126 1 1 778 . 9 1 1 A 66 66 LYS CA C 108 58.682 58.405 0.277 1 1 779 . 9 1 1 A 66 66 LYS CB C 108 32.422 32.030 0.392 1 1 783 . 9 1 1 A 66 66 LYS N N 108 120.740 121.377 -0.637 1 1 784 . 9 1 1 A 67 67 THR H H 109 8.035 7.685 0.350 1 1 785 . 9 1 1 A 67 67 THR HA H 109 4.270 4.510 -0.240 1 1 790 . 9 1 1 A 67 67 THR C C 109 175.031 174.011 1.020 1 1 791 . 9 1 1 A 67 67 THR CA C 109 62.422 61.400 1.022 1 1 792 . 9 1 1 A 67 67 THR CB C 109 68.985 69.043 -0.058 1 1 794 . 9 1 1 A 67 67 THR N N 109 108.086 113.349 -5.263 1 1 795 . 9 1 1 A 68 68 VAL H H 110 7.470 7.265 0.205 1 1 796 . 9 1 1 A 68 68 VAL HA H 110 3.960 4.342 -0.382 1 1 804 . 9 1 1 A 68 68 VAL C C 110 175.691 174.648 1.043 1 1 805 . 9 1 1 A 68 68 VAL CA C 110 63.360 61.361 1.999 1 1 806 . 9 1 1 A 68 68 VAL CB C 110 32.422 34.065 -1.643 1 1 809 . 9 1 1 A 68 68 VAL N N 110 123.270 122.253 1.017 1 1 810 . 9 1 1 A 69 69 ASP H H 111 8.710 8.820 -0.110 1 1 811 . 9 1 1 A 69 69 ASP HA H 111 4.645 5.126 -0.481 1 1 814 . 9 1 1 A 69 69 ASP C C 111 176.150 176.834 -0.684 1 1 815 . 9 1 1 A 69 69 ASP CA C 111 53.989 52.869 1.120 1 1 816 . 9 1 1 A 69 69 ASP CB C 111 41.328 43.566 -2.238 1 1 817 . 9 1 1 A 69 69 ASP N N 111 126.170 127.038 -0.868 1 1 818 . 9 1 1 A 70 70 TYR H H 112 8.840 9.023 -0.183 1 1 819 . 9 1 1 A 70 70 TYR HA H 112 4.056 4.171 -0.115 1 1 826 . 9 1 1 A 70 70 TYR C C 112 177.075 177.651 -0.576 1 1 827 . 9 1 1 A 70 70 TYR CA C 112 61.890 62.224 -0.334 1 1 828 . 9 1 1 A 70 70 TYR CB C 112 38.980 38.565 0.415 1 1 829 . 9 1 1 A 70 70 TYR N N 112 123.360 123.470 -0.110 1 1 830 . 9 1 1 A 71 71 GLU H H 113 8.550 8.311 0.239 1 1 831 . 9 1 1 A 71 71 GLU HA H 113 3.904 3.850 0.054 1 1 836 . 9 1 1 A 71 71 GLU C C 113 179.338 178.687 0.651 1 1 837 . 9 1 1 A 71 71 GLU CA C 113 59.610 59.099 0.511 1 1 838 . 9 1 1 A 71 71 GLU CB C 113 27.765 28.902 -1.137 1 1 840 . 9 1 1 A 71 71 GLU N N 113 116.730 118.468 -1.738 1 1 841 . 9 1 1 A 72 72 THR H H 114 7.780 7.846 -0.066 1 1 842 . 9 1 1 A 72 72 THR HA H 114 4.320 3.980 0.340 1 1 847 . 9 1 1 A 72 72 THR C C 114 175.987 176.302 -0.315 1 1 848 . 9 1 1 A 72 72 THR CA C 114 67.579 66.425 1.154 1 1 849 . 9 1 1 A 72 72 THR CB C 114 66.640 68.668 -2.028 1 1 851 . 9 1 1 A 72 72 THR N N 114 117.340 115.604 1.736 1 1 852 . 9 1 1 A 73 73 LEU H H 115 7.570 7.702 -0.132 1 1 853 . 9 1 1 A 73 73 LEU HA H 115 3.838 4.063 -0.225 1 1 863 . 9 1 1 A 73 73 LEU C C 115 178.670 178.479 0.191 1 1 864 . 9 1 1 A 73 73 LEU CA C 115 58.203 57.835 0.368 1 1 865 . 9 1 1 A 73 73 LEU CB C 115 40.860 41.286 -0.426 1 1 868 . 9 1 1 A 73 73 LEU N N 115 120.510 118.086 2.424 1 1 869 . 9 1 1 A 74 74 MET H H 116 8.280 7.597 0.683 1 1 870 . 9 1 1 A 74 74 MET HA H 116 4.100 4.103 -0.003 1 1 878 . 9 1 1 A 74 74 MET C C 116 178.503 178.104 0.399 1 1 879 . 9 1 1 A 74 74 MET CA C 116 57.210 58.065 -0.855 1 1 880 . 9 1 1 A 74 74 MET CB C 116 32.400 32.021 0.379 1 1 883 . 9 1 1 A 74 74 MET N N 116 116.240 118.894 -2.654 1 1 884 . 9 1 1 A 75 75 LYS H H 117 7.755 7.563 0.192 1 1 885 . 9 1 1 A 75 75 LYS HA H 117 4.146 4.023 0.123 1 1 894 . 9 1 1 A 75 75 LYS C C 117 173.559 179.742 -6.183 1 1 895 . 9 1 1 A 75 75 LYS CA C 117 59.610 59.189 0.421 1 1 896 . 9 1 1 A 75 75 LYS CB C 117 31.495 32.542 -1.047 1 1 900 . 9 1 1 A 75 75 LYS N N 117 120.230 118.926 1.304 1 1 901 . 9 1 1 A 76 76 VAL H H 118 7.880 7.713 0.167 1 1 902 . 9 1 1 A 76 76 VAL HA H 118 3.598 3.897 -0.299 1 1 910 . 9 1 1 A 76 76 VAL C C 118 178.205 178.041 0.164 1 1 911 . 9 1 1 A 76 76 VAL CA C 118 66.641 65.180 1.461 1 1 912 . 9 1 1 A 76 76 VAL CB C 118 31.485 31.640 -0.155 1 1 915 . 9 1 1 A 76 76 VAL N N 118 120.500 115.849 4.651 1 1 916 . 9 1 1 A 77 77 MET H H 119 8.262 7.976 0.286 1 1 917 . 9 1 1 A 77 77 MET HA H 119 3.904 4.004 -0.100 1 1 925 . 9 1 1 A 77 77 MET C C 119 178.200 177.642 0.558 1 1 926 . 9 1 1 A 77 77 MET CA C 119 59.610 58.626 0.984 1 1 927 . 9 1 1 A 77 77 MET CB C 119 32.422 31.927 0.495 1 1 930 . 9 1 1 A 77 77 MET N N 119 118.320 120.219 -1.899 1 1 931 . 9 1 1 A 78 78 ASP H H 120 8.720 7.923 0.797 1 1 932 . 9 1 1 A 78 78 ASP HA H 120 4.400 4.353 0.047 1 1 935 . 9 1 1 A 78 78 ASP C C 120 178.216 178.927 -0.711 1 1 936 . 9 1 1 A 78 78 ASP CA C 120 56.797 56.754 0.043 1 1 937 . 9 1 1 A 78 78 ASP CB C 120 38.980 40.572 -1.592 1 1 938 . 9 1 1 A 78 78 ASP N N 120 117.800 119.206 -1.406 1 1 939 . 9 1 1 A 79 79 THR H H 121 8.040 7.822 0.218 1 1 940 . 9 1 1 A 79 79 THR HA H 121 3.939 3.994 -0.055 1 1 945 . 9 1 1 A 79 79 THR C C 121 176.582 176.933 -0.351 1 1 946 . 9 1 1 A 79 79 THR CA C 121 66.641 67.210 -0.569 1 1 947 . 9 1 1 A 79 79 THR CB C 121 68.516 68.632 -0.116 1 1 949 . 9 1 1 A 79 79 THR N N 121 118.470 117.458 1.012 1 1 950 . 9 1 1 A 80 80 LEU H H 122 7.931 8.317 -0.386 1 1 951 . 9 1 1 A 80 80 LEU HA H 122 4.136 4.131 0.005 1 1 961 . 9 1 1 A 80 80 LEU C C 122 178.936 179.111 -0.175 1 1 962 . 9 1 1 A 80 80 LEU CA C 122 58.672 57.995 0.677 1 1 963 . 9 1 1 A 80 80 LEU CB C 122 41.328 41.239 0.089 1 1 967 . 9 1 1 A 80 80 LEU N N 122 121.676 118.615 3.061 1 1 968 . 9 1 1 A 81 81 HIS H H 123 8.825 7.784 1.041 1 1 969 . 9 1 1 A 81 81 HIS HA H 123 4.455 4.325 0.130 1 1 974 . 9 1 1 A 81 81 HIS C C 123 179.780 177.230 2.550 1 1 975 . 9 1 1 A 81 81 HIS CA C 123 57.732 59.768 -2.036 1 1 976 . 9 1 1 A 81 81 HIS CB C 123 28.672 30.120 -1.448 1 1 977 . 9 1 1 A 81 81 HIS N N 123 117.910 118.413 -0.503 1 1 978 . 9 1 1 A 82 82 GLN H H 124 8.740 7.828 0.912 1 1 979 . 9 1 1 A 82 82 GLN HA H 124 4.092 4.144 -0.052 1 1 984 . 9 1 1 A 82 82 GLN C C 124 177.091 176.932 0.159 1 1 985 . 9 1 1 A 82 82 GLN CA C 124 58.672 57.225 1.447 1 1 986 . 9 1 1 A 82 82 GLN CB C 124 28.204 28.205 -0.001 1 1 988 . 9 1 1 A 82 82 GLN N N 124 120.420 116.703 3.717 1 1 989 . 9 1 1 A 83 83 ALA H H 125 7.330 7.278 0.052 1 1 990 . 9 1 1 A 83 83 ALA HA H 125 4.495 4.330 0.165 1 1 994 . 9 1 1 A 83 83 ALA C C 125 176.371 177.505 -1.134 1 1 995 . 9 1 1 A 83 83 ALA CA C 125 52.110 51.946 0.164 1 1 996 . 9 1 1 A 83 83 ALA CB C 125 19.756 19.319 0.437 1 1 997 . 9 1 1 A 83 83 ALA N N 125 119.130 119.641 -0.511 1 1 998 . 9 1 1 A 84 84 GLY H H 126 7.780 7.565 0.215 1 1 999 . 9 1 1 A 84 84 GLY HA2 H 126 4.111 3.850 0.261 1 1 1000 . 9 1 1 A 84 84 GLY HA3 H 126 3.505 3.900 -0.395 1 1 1001 . 9 1 1 A 84 84 GLY C C 126 173.562 174.161 -0.599 1 1 1002 . 9 1 1 A 84 84 GLY CA C 126 44.610 44.994 -0.384 1 1 1003 . 9 1 1 A 84 84 GLY N N 126 104.120 106.557 -2.437 1 1 1004 . 9 1 1 A 85 85 TYR H H 127 7.910 7.592 0.318 1 1 1005 . 9 1 1 A 85 85 TYR HA H 127 4.551 4.369 0.182 1 1 1012 . 9 1 1 A 85 85 TYR C C 127 177.192 175.799 1.393 1 1 1013 . 9 1 1 A 85 85 TYR CA C 127 59.610 59.517 0.093 1 1 1014 . 9 1 1 A 85 85 TYR CB C 127 37.110 38.769 -1.659 1 1 1015 . 9 1 1 A 85 85 TYR N N 127 120.310 120.039 0.271 1 1 1016 . 9 1 1 A 86 86 LEU H H 128 7.835 8.926 -1.091 1 1 1017 . 9 1 1 A 86 86 LEU HA H 128 4.357 4.639 -0.282 1 1 1027 . 9 1 1 A 86 86 LEU C C 128 178.503 176.176 2.327 1 1 1028 . 9 1 1 A 86 86 LEU CA C 128 54.456 54.449 0.007 1 1 1029 . 9 1 1 A 86 86 LEU CB C 128 43.203 43.705 -0.502 1 1 1033 . 9 1 1 A 86 86 LEU N N 128 120.100 125.430 -5.330 1 1 1034 . 9 1 1 A 87 87 LYS H H 129 9.330 7.803 1.527 1 1 1035 . 9 1 1 A 87 87 LYS HA H 129 4.512 4.538 -0.026 1 1 1044 . 9 1 1 A 87 87 LYS C C 129 173.251 175.089 -1.838 1 1 1045 . 9 1 1 A 87 87 LYS CA C 129 54.922 55.295 -0.373 1 1 1046 . 9 1 1 A 87 87 LYS CB C 129 31.000 33.474 -2.474 1 1 1050 . 9 1 1 A 87 87 LYS N N 129 125.180 118.519 6.661 1 1 1051 . 9 1 1 A 88 88 ILE H H 130 7.589 8.715 -1.126 1 1 1052 . 9 1 1 A 88 88 ILE HA H 130 5.015 4.743 0.272 1 1 1062 . 9 1 1 A 88 88 ILE C C 130 176.481 175.728 0.753 1 1 1063 . 9 1 1 A 88 88 ILE CA C 130 58.672 59.646 -0.974 1 1 1064 . 9 1 1 A 88 88 ILE CB C 130 40.391 39.062 1.329 1 1 1068 . 9 1 1 A 88 88 ILE N N 130 122.487 125.540 -3.053 1 1 1069 . 9 1 1 A 89 89 GLY H H 131 8.960 8.966 -0.006 1 1 1070 . 9 1 1 A 89 89 GLY HA2 H 131 4.543 3.392 1.151 1 1 1071 . 9 1 1 A 89 89 GLY HA3 H 131 3.488 3.790 -0.302 1 1 1072 . 9 1 1 A 89 89 GLY C C 131 171.936 171.529 0.407 1 1 1073 . 9 1 1 A 89 89 GLY CA C 131 44.610 45.039 -0.429 1 1 1074 . 9 1 1 A 89 89 GLY N N 131 115.300 115.766 -0.466 1 1 1075 . 9 1 1 A 90 90 LEU H H 132 8.610 8.295 0.315 1 1 1076 . 9 1 1 A 90 90 LEU HA H 132 5.061 4.711 0.350 1 1 1086 . 9 1 1 A 90 90 LEU C C 132 177.246 175.566 1.680 1 1 1087 . 9 1 1 A 90 90 LEU CA C 132 54.453 53.783 0.670 1 1 1088 . 9 1 1 A 90 90 LEU CB C 132 42.735 43.453 -0.718 1 1 1092 . 9 1 1 A 90 90 LEU N N 132 124.560 124.538 0.022 1 1 1093 . 9 1 1 A 91 91 VAL H H 133 8.630 8.524 0.106 1 1 1094 . 9 1 1 A 91 91 VAL HA H 133 4.299 3.863 0.436 1 1 1102 . 9 1 1 A 91 91 VAL C C 133 176.296 177.135 -0.839 1 1 1103 . 9 1 1 A 91 91 VAL CA C 133 61.953 63.590 -1.637 1 1 1104 . 9 1 1 A 91 91 VAL CB C 133 33.360 32.000 1.360 1 1 1107 . 9 1 1 A 91 91 VAL N N 133 123.280 127.090 -3.810 1 1 1108 . 9 1 1 A 92 92 GLY H H 134 8.620 9.239 -0.619 1 1 1109 . 9 1 1 A 92 92 GLY HA2 H 134 4.154 3.941 0.213 1 1 1110 . 9 1 1 A 92 92 GLY HA3 H 134 4.007 3.941 0.066 1 1 1111 . 9 1 1 A 92 92 GLY C C 134 174.157 174.879 -0.722 1 1 1112 . 9 1 1 A 92 92 GLY CA C 134 45.097 47.010 -1.913 1 1 1113 . 9 1 1 A 92 92 GLY N N 134 112.500 116.469 -3.969 1 1 1114 . 9 1 1 A 93 93 GLU H H 135 8.278 8.234 0.044 1 1 1115 . 9 1 1 A 93 93 GLU HA H 135 4.387 4.518 -0.131 1 1 1120 . 9 1 1 A 93 93 GLU C C 135 176.500 175.909 0.591 1 1 1121 . 9 1 1 A 93 93 GLU CA C 135 56.797 55.761 1.036 1 1 1122 . 9 1 1 A 93 93 GLU CB C 135 29.141 29.500 -0.359 1 1 1124 . 9 1 1 A 93 93 GLU N N 135 119.460 119.976 -0.516 1 1 1125 . 9 1 1 A 94 94 GLU H H 136 8.680 8.152 0.528 1 1 1126 . 9 1 1 A 94 94 GLU HA H 136 4.387 4.046 0.341 1 1 1131 . 9 1 1 A 94 94 GLU C C 136 176.970 175.539 1.431 1 1 1132 . 9 1 1 A 94 94 GLU CA C 136 56.797 57.251 -0.454 1 1 1133 . 9 1 1 A 94 94 GLU CB C 136 29.141 28.127 1.014 1 1 1135 . 9 1 1 A 94 94 GLU N N 136 121.740 118.585 3.155 1 1 1136 . 9 1 1 A 95 95 THR H H 137 8.221 8.380 -0.159 1 1 1137 . 9 1 1 A 95 95 THR HA H 137 4.228 4.419 -0.191 1 1 1142 . 9 1 1 A 95 95 THR C C 137 174.880 173.292 1.588 1 1 1143 . 9 1 1 A 95 95 THR CA C 137 62.422 61.917 0.505 1 1 1144 . 9 1 1 A 95 95 THR CB C 137 69.454 66.695 2.759 1 1 1146 . 9 1 1 A 95 95 THR N N 137 115.380 117.953 -2.573 1 1 1147 . 9 1 1 A 96 96 ALA H H 138 8.311 8.212 0.099 1 1 1148 . 9 1 1 A 96 96 ALA HA H 138 4.233 4.738 -0.505 1 1 1152 . 9 1 1 A 96 96 ALA C C 138 178.469 174.683 3.786 1 1 1153 . 9 1 1 A 96 96 ALA CA C 138 53.516 51.419 2.097 1 1 1154 . 9 1 1 A 96 96 ALA CB C 138 18.828 22.384 -3.556 1 1 1155 . 9 1 1 A 96 96 ALA N N 138 125.688 126.366 -0.678 1 1 1156 . 9 1 1 A 97 97 LYS H H 139 8.210 8.660 -0.450 1 1 1157 . 9 1 1 A 97 97 LYS HA H 139 4.163 5.209 -1.046 1 1 1166 . 9 1 1 A 97 97 LYS C C 139 177.154 176.115 1.039 1 1 1167 . 9 1 1 A 97 97 LYS CA C 139 57.265 54.374 2.891 1 1 1168 . 9 1 1 A 97 97 LYS CB C 139 32.891 36.152 -3.261 1 1 1172 . 9 1 1 A 97 97 LYS N N 139 120.110 119.327 0.783 1 1 1173 . 9 1 1 A 98 98 ALA H H 140 8.170 8.813 -0.643 1 1 1174 . 9 1 1 A 98 98 ALA HA H 140 4.209 4.515 -0.306 1 1 1178 . 9 1 1 A 98 98 ALA C C 140 178.469 176.656 1.813 1 1 1179 . 9 1 1 A 98 98 ALA CA C 140 53.516 51.612 1.904 1 1 1180 . 9 1 1 A 98 98 ALA CB C 140 18.828 20.150 -1.322 1 1 1181 . 9 1 1 A 98 98 ALA N N 140 124.210 127.645 -3.435 1 1 1 . 10 1 1 A 2 2 ASP H H 44 8.930 7.747 1.183 1 1 2 . 10 1 1 A 2 2 ASP HA H 44 4.860 5.016 -0.156 1 1 5 . 10 1 1 A 2 2 ASP C C 44 175.278 173.889 1.389 1 1 6 . 10 1 1 A 2 2 ASP CA C 44 53.516 53.170 0.346 1 1 7 . 10 1 1 A 2 2 ASP CB C 44 39.397 43.562 -4.165 1 1 8 . 10 1 1 A 2 2 ASP N N 44 122.920 114.830 8.090 1 1 9 . 10 1 1 A 3 3 VAL H H 45 8.329 8.667 -0.338 1 1 10 . 10 1 1 A 3 3 VAL HA H 45 4.120 4.923 -0.803 1 1 18 . 10 1 1 A 3 3 VAL C C 45 175.938 174.767 1.171 1 1 19 . 10 1 1 A 3 3 VAL CA C 45 62.422 59.393 3.029 1 1 20 . 10 1 1 A 3 3 VAL CB C 45 32.300 35.126 -2.826 1 1 23 . 10 1 1 A 3 3 VAL N N 45 121.541 118.057 3.484 1 1 24 . 10 1 1 A 4 4 LYS H H 46 8.400 8.698 -0.298 1 1 25 . 10 1 1 A 4 4 LYS HA H 46 4.387 5.144 -0.757 1 1 34 . 10 1 1 A 4 4 LYS C C 46 176.333 174.812 1.521 1 1 35 . 10 1 1 A 4 4 LYS CA C 46 56.270 55.061 1.209 1 1 36 . 10 1 1 A 4 4 LYS CB C 46 32.874 35.011 -2.137 1 1 40 . 10 1 1 A 4 4 LYS N N 46 125.410 123.261 2.149 1 1 42 . 10 1 1 A 5 5 VAL H H 47 8.190 8.584 -0.394 1 1 43 . 10 1 1 A 5 5 VAL HA H 47 4.118 4.772 -0.654 1 1 51 . 10 1 1 A 5 5 VAL C C 47 175.567 173.708 1.859 1 1 52 . 10 1 1 A 5 5 VAL CA C 47 61.954 60.008 1.946 1 1 53 . 10 1 1 A 5 5 VAL CB C 47 32.443 34.998 -2.555 1 1 56 . 10 1 1 A 5 5 VAL N N 47 121.672 121.832 -0.160 1 1 57 . 10 1 1 A 6 6 ASN H H 48 8.571 8.786 -0.215 1 1 58 . 10 1 1 A 6 6 ASN HA H 48 4.750 5.226 -0.476 1 1 61 . 10 1 1 A 6 6 ASN C C 48 174.566 173.567 0.999 1 1 62 . 10 1 1 A 6 6 ASN CA C 48 53.047 53.194 -0.147 1 1 63 . 10 1 1 A 6 6 ASN CB C 48 38.901 43.249 -4.348 1 1 64 . 10 1 1 A 6 6 ASN N N 48 123.230 124.402 -1.172 1 1 65 . 10 1 1 A 7 7 LEU H H 49 8.286 8.680 -0.394 1 1 66 . 10 1 1 A 7 7 LEU HA H 49 4.632 4.774 -0.142 1 1 76 . 10 1 1 A 7 7 LEU C C 49 175.162 174.378 0.784 1 1 77 . 10 1 1 A 7 7 LEU CA C 49 53.047 51.610 1.437 1 1 78 . 10 1 1 A 7 7 LEU CB C 49 41.825 44.322 -2.497 1 1 82 . 10 1 1 A 7 7 LEU N N 49 124.491 125.122 -0.631 1 1 83 . 10 1 1 A 8 8 PRO HA H 50 4.443 4.891 -0.448 1 1 90 . 10 1 1 A 8 8 PRO C C 50 176.734 176.224 0.510 1 1 91 . 10 1 1 A 8 8 PRO CA C 50 62.903 62.833 0.070 1 1 92 . 10 1 1 A 8 8 PRO CB C 50 31.839 33.039 -1.200 1 1 95 . 10 1 1 A 9 9 ALA H H 51 8.424 8.532 -0.108 1 1 96 . 10 1 1 A 9 9 ALA HA H 51 4.330 4.565 -0.235 1 1 100 . 10 1 1 A 9 9 ALA C C 51 178.124 176.213 1.911 1 1 101 . 10 1 1 A 9 9 ALA CA C 51 52.578 51.465 1.113 1 1 102 . 10 1 1 A 9 9 ALA CB C 51 19.297 19.466 -0.169 1 1 103 . 10 1 1 A 9 9 ALA N N 51 124.364 122.130 2.234 1 1 104 . 10 1 1 A 10 10 SER H H 52 8.380 7.818 0.562 1 1 105 . 10 1 1 A 10 10 SER HA H 52 4.223 5.192 -0.969 1 1 108 . 10 1 1 A 10 10 SER C C 52 174.982 172.677 2.305 1 1 109 . 10 1 1 A 10 10 SER CA C 52 58.672 56.523 2.149 1 1 110 . 10 1 1 A 10 10 SER CB C 52 63.829 64.845 -1.016 1 1 111 . 10 1 1 A 10 10 SER N N 52 114.800 113.136 1.664 1 1 112 . 10 1 1 A 11 11 THR H H 53 8.227 8.904 -0.677 1 1 113 . 10 1 1 A 11 11 THR HA H 53 4.478 5.025 -0.547 1 1 118 . 10 1 1 A 11 11 THR C C 53 174.612 173.251 1.361 1 1 119 . 10 1 1 A 11 11 THR CA C 53 61.922 60.076 1.846 1 1 120 . 10 1 1 A 11 11 THR CB C 53 69.922 69.117 0.805 1 1 122 . 10 1 1 A 11 11 THR N N 53 115.236 119.066 -3.830 1 1 123 . 10 1 1 A 12 12 SER H H 54 8.330 8.377 -0.047 1 1 124 . 10 1 1 A 12 12 SER HA H 54 4.559 5.066 -0.507 1 1 127 . 10 1 1 A 12 12 SER C C 54 174.299 172.973 1.326 1 1 128 . 10 1 1 A 12 12 SER CA C 54 58.204 57.808 0.396 1 1 129 . 10 1 1 A 12 12 SER CB C 54 63.891 65.322 -1.431 1 1 130 . 10 1 1 A 12 12 SER N N 54 117.770 121.150 -3.380 1 1 131 . 10 1 1 A 13 13 THR H H 55 8.274 8.822 -0.548 1 1 132 . 10 1 1 A 13 13 THR HA H 55 4.624 4.786 -0.162 1 1 137 . 10 1 1 A 13 13 THR C C 55 170.400 173.201 -2.801 1 1 138 . 10 1 1 A 13 13 THR CA C 55 60.079 58.880 1.199 1 1 139 . 10 1 1 A 13 13 THR CB C 55 69.922 68.813 1.109 1 1 141 . 10 1 1 A 13 13 THR N N 55 118.865 115.318 3.547 1 1 142 . 10 1 1 A 14 14 PRO HA H 56 4.458 4.654 -0.196 1 1 149 . 10 1 1 A 14 14 PRO C C 56 176.748 176.150 0.598 1 1 150 . 10 1 1 A 14 14 PRO CA C 56 63.076 62.560 0.516 1 1 151 . 10 1 1 A 14 14 PRO CB C 56 32.043 32.843 -0.800 1 1 154 . 10 1 1 A 15 15 GLN H H 57 8.547 8.597 -0.050 1 1 155 . 10 1 1 A 15 15 GLN HA H 57 4.620 4.915 -0.295 1 1 160 . 10 1 1 A 15 15 GLN CA C 57 53.600 53.156 0.444 1 1 161 . 10 1 1 A 15 15 GLN CB C 57 29.141 28.418 0.723 1 1 163 . 10 1 1 A 15 15 GLN N N 57 122.041 117.181 4.860 1 1 165 . 10 1 1 A 16 16 PRO HA H 58 4.458 4.734 -0.276 1 1 172 . 10 1 1 A 16 16 PRO C C 58 176.620 175.738 0.882 1 1 173 . 10 1 1 A 16 16 PRO CA C 58 62.872 62.718 0.154 1 1 174 . 10 1 1 A 16 16 PRO CB C 58 32.111 33.545 -1.434 1 1 177 . 10 1 1 A 17 17 ARG H H 59 8.511 8.418 0.093 1 1 178 . 10 1 1 A 17 17 ARG HA H 59 4.643 4.952 -0.309 1 1 185 . 10 1 1 A 17 17 ARG CA C 59 53.985 53.841 0.144 1 1 186 . 10 1 1 A 17 17 ARG CB C 59 30.195 31.085 -0.890 1 1 189 . 10 1 1 A 17 17 ARG N N 59 122.731 120.614 2.117 1 1 190 . 10 1 1 A 18 18 PRO HA H 60 4.458 4.684 -0.226 1 1 197 . 10 1 1 A 18 18 PRO C C 60 176.892 175.743 1.149 1 1 198 . 10 1 1 A 18 18 PRO CA C 60 62.940 62.766 0.174 1 1 199 . 10 1 1 A 18 18 PRO CB C 60 32.891 33.243 -0.352 1 1 202 . 10 1 1 A 19 19 GLU H H 61 8.480 8.725 -0.245 1 1 203 . 10 1 1 A 19 19 GLU HA H 61 4.391 4.866 -0.475 1 1 208 . 10 1 1 A 19 19 GLU C C 61 176.174 174.724 1.450 1 1 209 . 10 1 1 A 19 19 GLU CA C 61 54.922 55.459 -0.537 1 1 210 . 10 1 1 A 19 19 GLU CB C 61 29.141 32.412 -3.271 1 1 212 . 10 1 1 A 19 19 GLU N N 61 120.840 119.049 1.791 1 1 213 . 10 1 1 A 20 20 LYS H H 62 8.502 8.819 -0.317 1 1 214 . 10 1 1 A 20 20 LYS HA H 62 4.620 4.775 -0.155 1 1 223 . 10 1 1 A 20 20 LYS C C 62 171.420 173.817 -2.397 1 1 224 . 10 1 1 A 20 20 LYS CA C 62 54.827 53.146 1.681 1 1 225 . 10 1 1 A 20 20 LYS CB C 62 32.422 33.931 -1.509 1 1 229 . 10 1 1 A 20 20 LYS N N 62 125.117 123.833 1.284 1 1 230 . 10 1 1 A 21 21 PRO HA H 63 4.448 4.516 -0.068 1 1 237 . 10 1 1 A 21 21 PRO CA C 63 62.261 62.605 -0.344 1 1 238 . 10 1 1 A 21 21 PRO CB C 63 32.422 32.092 0.330 1 1 241 . 10 1 1 A 22 22 VAL H H 64 8.570 8.577 -0.007 1 1 242 . 10 1 1 A 22 22 VAL HA H 64 4.097 4.394 -0.297 1 1 250 . 10 1 1 A 22 22 VAL C C 64 173.862 174.720 -0.858 1 1 251 . 10 1 1 A 22 22 VAL CA C 64 61.000 62.017 -1.017 1 1 252 . 10 1 1 A 22 22 VAL CB C 64 33.770 31.714 2.056 1 1 255 . 10 1 1 A 22 22 VAL N N 64 120.453 123.007 -2.554 1 1 256 . 10 1 1 A 23 23 TYR H H 65 8.600 9.154 -0.554 1 1 257 . 10 1 1 A 23 23 TYR HA H 65 5.207 5.427 -0.220 1 1 264 . 10 1 1 A 23 23 TYR C C 65 174.916 173.935 0.981 1 1 265 . 10 1 1 A 23 23 TYR CA C 65 57.210 56.203 1.007 1 1 266 . 10 1 1 A 23 23 TYR CB C 65 39.454 41.931 -2.477 1 1 267 . 10 1 1 A 23 23 TYR N N 65 124.580 128.926 -4.346 1 1 268 . 10 1 1 A 24 24 LEU H H 66 9.186 9.215 -0.029 1 1 269 . 10 1 1 A 24 24 LEU HA H 66 5.261 5.286 -0.025 1 1 279 . 10 1 1 A 24 24 LEU C C 66 175.491 176.246 -0.755 1 1 280 . 10 1 1 A 24 24 LEU CA C 66 53.516 53.880 -0.364 1 1 281 . 10 1 1 A 24 24 LEU CB C 66 45.078 44.080 0.998 1 1 285 . 10 1 1 A 24 24 LEU N N 66 128.669 127.782 0.887 1 1 286 . 10 1 1 A 25 25 SER H H 67 9.300 9.105 0.195 1 1 287 . 10 1 1 A 25 25 SER HA H 67 5.637 5.403 0.234 1 1 290 . 10 1 1 A 25 25 SER C C 67 173.470 173.701 -0.231 1 1 291 . 10 1 1 A 25 25 SER CA C 67 56.784 57.813 -1.029 1 1 292 . 10 1 1 A 25 25 SER CB C 67 65.267 64.756 0.511 1 1 293 . 10 1 1 A 25 25 SER N N 67 120.290 122.458 -2.168 1 1 294 . 10 1 1 A 26 26 VAL H H 68 8.600 8.750 -0.150 1 1 295 . 10 1 1 A 26 26 VAL HA H 68 4.847 5.102 -0.255 1 1 303 . 10 1 1 A 26 26 VAL C C 68 175.205 174.641 0.564 1 1 304 . 10 1 1 A 26 26 VAL CA C 68 60.950 59.703 1.247 1 1 305 . 10 1 1 A 26 26 VAL CB C 68 33.770 34.875 -1.105 1 1 308 . 10 1 1 A 26 26 VAL N N 68 123.723 124.950 -1.227 1 1 309 . 10 1 1 A 27 27 LYS H H 69 8.760 8.454 0.306 1 1 310 . 10 1 1 A 27 27 LYS HA H 69 4.630 4.854 -0.224 1 1 319 . 10 1 1 A 27 27 LYS C C 69 176.007 176.047 -0.040 1 1 320 . 10 1 1 A 27 27 LYS CA C 69 62.400 54.935 7.465 1 1 321 . 10 1 1 A 27 27 LYS CB C 69 33.820 34.433 -0.613 1 1 325 . 10 1 1 A 27 27 LYS N N 69 126.000 120.112 5.888 1 1 326 . 10 1 1 A 28 28 ALA H H 70 8.728 8.685 0.043 1 1 327 . 10 1 1 A 28 28 ALA HA H 70 4.018 3.945 0.073 1 1 331 . 10 1 1 A 28 28 ALA C C 70 177.852 176.759 1.093 1 1 332 . 10 1 1 A 28 28 ALA CA C 70 53.985 54.267 -0.282 1 1 333 . 10 1 1 A 28 28 ALA CB C 70 19.297 17.795 1.502 1 1 334 . 10 1 1 A 28 28 ALA N N 70 124.480 121.400 3.080 1 1 335 . 10 1 1 A 29 29 ASP H H 71 8.256 8.630 -0.374 1 1 336 . 10 1 1 A 29 29 ASP HA H 71 4.497 4.579 -0.082 1 1 339 . 10 1 1 A 29 29 ASP C C 71 176.455 175.831 0.624 1 1 340 . 10 1 1 A 29 29 ASP CA C 71 53.985 53.138 0.847 1 1 341 . 10 1 1 A 29 29 ASP CB C 71 39.315 38.835 0.480 1 1 342 . 10 1 1 A 29 29 ASP N N 71 118.722 119.568 -0.846 1 1 343 . 10 1 1 A 30 30 ASN H H 72 8.380 8.415 -0.035 1 1 344 . 10 1 1 A 30 30 ASN HA H 72 4.374 4.321 0.053 1 1 349 . 10 1 1 A 30 30 ASN C C 72 174.641 173.919 0.722 1 1 350 . 10 1 1 A 30 30 ASN CA C 72 54.453 54.294 0.159 1 1 351 . 10 1 1 A 30 30 ASN CB C 72 37.579 36.592 0.987 1 1 352 . 10 1 1 A 30 30 ASN N N 72 113.000 116.595 -3.595 1 1 353 . 10 1 1 A 31 31 SER H H 73 7.710 7.446 0.264 1 1 354 . 10 1 1 A 31 31 SER HA H 73 4.404 5.116 -0.712 1 1 357 . 10 1 1 A 31 31 SER C C 73 172.527 172.650 -0.123 1 1 358 . 10 1 1 A 31 31 SER CA C 73 58.672 57.597 1.075 1 1 359 . 10 1 1 A 31 31 SER CB C 73 63.303 65.770 -2.467 1 1 360 . 10 1 1 A 31 31 SER N N 73 115.080 113.408 1.672 1 1 361 . 10 1 1 A 32 32 MET H H 74 8.065 8.473 -0.408 1 1 362 . 10 1 1 A 32 32 MET HA H 74 5.573 5.500 0.073 1 1 370 . 10 1 1 A 32 32 MET C C 74 174.974 175.578 -0.604 1 1 371 . 10 1 1 A 32 32 MET CA C 74 54.397 54.018 0.379 1 1 372 . 10 1 1 A 32 32 MET CB C 74 37.579 34.552 3.027 1 1 375 . 10 1 1 A 32 32 MET N N 74 121.780 125.528 -3.748 1 1 376 . 10 1 1 A 33 33 PHE H H 75 8.900 9.199 -0.299 1 1 377 . 10 1 1 A 33 33 PHE HA H 75 5.190 4.928 0.262 1 1 384 . 10 1 1 A 33 33 PHE C C 75 175.228 174.285 0.943 1 1 385 . 10 1 1 A 33 33 PHE CA C 75 56.797 57.950 -1.153 1 1 386 . 10 1 1 A 33 33 PHE CB C 75 44.141 40.690 3.451 1 1 387 . 10 1 1 A 33 33 PHE N N 75 118.800 122.582 -3.782 1 1 388 . 10 1 1 A 34 34 ILE H H 76 8.830 8.484 0.346 1 1 389 . 10 1 1 A 34 34 ILE HA H 76 4.851 4.549 0.302 1 1 399 . 10 1 1 A 34 34 ILE C C 76 177.606 176.831 0.775 1 1 400 . 10 1 1 A 34 34 ILE CA C 76 59.610 60.714 -1.104 1 1 401 . 10 1 1 A 34 34 ILE CB C 76 37.990 38.231 -0.241 1 1 405 . 10 1 1 A 34 34 ILE N N 76 121.330 128.289 -6.959 1 1 406 . 10 1 1 A 35 35 GLY H H 77 9.177 8.725 0.452 1 1 407 . 10 1 1 A 35 35 GLY HA2 H 77 4.139 3.838 0.301 1 1 408 . 10 1 1 A 35 35 GLY HA3 H 77 3.742 3.849 -0.107 1 1 409 . 10 1 1 A 35 35 GLY C C 77 174.757 175.199 -0.442 1 1 410 . 10 1 1 A 35 35 GLY CA C 77 47.422 46.898 0.524 1 1 411 . 10 1 1 A 35 35 GLY N N 77 118.894 111.709 7.185 1 1 412 . 10 1 1 A 36 36 ASN H H 78 9.170 8.976 0.194 1 1 413 . 10 1 1 A 36 36 ASN HA H 78 4.846 4.380 0.466 1 1 416 . 10 1 1 A 36 36 ASN C C 78 174.867 174.315 0.552 1 1 417 . 10 1 1 A 36 36 ASN CA C 78 52.578 54.579 -2.001 1 1 418 . 10 1 1 A 36 36 ASN CB C 78 38.985 38.035 0.950 1 1 419 . 10 1 1 A 36 36 ASN N N 78 125.494 122.711 2.783 1 1 420 . 10 1 1 A 37 37 ASP H H 79 8.590 8.334 0.256 1 1 421 . 10 1 1 A 37 37 ASP HA H 79 5.330 5.007 0.323 1 1 424 . 10 1 1 A 37 37 ASP C C 79 173.009 173.597 -0.588 1 1 425 . 10 1 1 A 37 37 ASP CA C 79 51.172 51.992 -0.820 1 1 426 . 10 1 1 A 37 37 ASP CB C 79 39.922 40.850 -0.928 1 1 427 . 10 1 1 A 37 37 ASP N N 79 121.409 118.773 2.636 1 1 428 . 10 1 1 A 38 38 PRO HA H 80 4.320 4.598 -0.278 1 1 435 . 10 1 1 A 38 38 PRO C C 80 176.862 176.224 0.638 1 1 436 . 10 1 1 A 38 38 PRO CA C 80 62.422 62.354 0.068 1 1 437 . 10 1 1 A 38 38 PRO CB C 80 32.890 31.647 1.243 1 1 440 . 10 1 1 A 39 39 VAL H H 81 8.001 8.026 -0.025 1 1 441 . 10 1 1 A 39 39 VAL HA H 81 4.522 4.860 -0.338 1 1 449 . 10 1 1 A 39 39 VAL C C 81 173.912 173.891 0.021 1 1 450 . 10 1 1 A 39 39 VAL CA C 81 59.141 59.484 -0.343 1 1 451 . 10 1 1 A 39 39 VAL CB C 81 36.172 36.377 -0.205 1 1 454 . 10 1 1 A 39 39 VAL N N 81 115.450 116.697 -1.247 1 1 455 . 10 1 1 A 40 40 THR H H 82 7.672 8.538 -0.866 1 1 456 . 10 1 1 A 40 40 THR HA H 82 4.746 4.957 -0.211 1 1 461 . 10 1 1 A 40 40 THR C C 82 175.692 174.607 1.085 1 1 462 . 10 1 1 A 40 40 THR CA C 82 59.121 59.203 -0.082 1 1 463 . 10 1 1 A 40 40 THR CB C 82 72.735 71.906 0.829 1 1 465 . 10 1 1 A 40 40 THR N N 82 110.320 110.522 -0.202 1 1 466 . 10 1 1 A 41 41 ASP H H 83 9.370 8.976 0.394 1 1 467 . 10 1 1 A 41 41 ASP HA H 83 4.314 4.396 -0.082 1 1 470 . 10 1 1 A 41 41 ASP C C 83 176.943 177.418 -0.475 1 1 471 . 10 1 1 A 41 41 ASP CA C 83 56.797 56.929 -0.132 1 1 472 . 10 1 1 A 41 41 ASP CB C 83 38.047 40.715 -2.668 1 1 473 . 10 1 1 A 41 41 ASP N N 83 118.710 121.980 -3.270 1 1 474 . 10 1 1 A 42 42 GLU H H 84 8.228 7.931 0.297 1 1 475 . 10 1 1 A 42 42 GLU HA H 84 4.336 4.240 0.096 1 1 480 . 10 1 1 A 42 42 GLU C C 84 177.827 178.042 -0.215 1 1 481 . 10 1 1 A 42 42 GLU CA C 84 58.204 58.376 -0.172 1 1 482 . 10 1 1 A 42 42 GLU CB C 84 29.141 30.456 -1.315 1 1 484 . 10 1 1 A 42 42 GLU N N 84 115.213 119.074 -3.861 1 1 485 . 10 1 1 A 43 43 THR H H 85 7.510 7.917 -0.407 1 1 486 . 10 1 1 A 43 43 THR HA H 85 4.664 4.631 0.033 1 1 491 . 10 1 1 A 43 43 THR C C 85 175.799 175.443 0.356 1 1 492 . 10 1 1 A 43 43 THR CA C 85 61.395 62.872 -1.477 1 1 493 . 10 1 1 A 43 43 THR CB C 85 70.391 68.803 1.588 1 1 495 . 10 1 1 A 43 43 THR N N 85 108.315 114.468 -6.153 1 1 496 . 10 1 1 A 44 44 MET H H 86 7.900 7.932 -0.032 1 1 497 . 10 1 1 A 44 44 MET HA H 86 3.820 4.230 -0.410 1 1 505 . 10 1 1 A 44 44 MET C C 86 176.605 178.245 -1.640 1 1 506 . 10 1 1 A 44 44 MET CA C 86 60.547 58.323 2.224 1 1 507 . 10 1 1 A 44 44 MET CB C 86 32.422 32.181 0.241 1 1 510 . 10 1 1 A 44 44 MET N N 86 121.500 120.131 1.369 1 1 511 . 10 1 1 A 45 45 ILE H H 87 8.430 8.223 0.207 1 1 512 . 10 1 1 A 45 45 ILE HA H 87 3.686 3.729 -0.043 1 1 522 . 10 1 1 A 45 45 ILE C C 87 177.773 177.991 -0.218 1 1 523 . 10 1 1 A 45 45 ILE CA C 87 62.934 65.083 -2.149 1 1 524 . 10 1 1 A 45 45 ILE CB C 87 34.766 37.380 -2.614 1 1 528 . 10 1 1 A 45 45 ILE N N 87 117.970 119.626 -1.656 1 1 529 . 10 1 1 A 46 46 THR H H 88 8.070 8.185 -0.115 1 1 530 . 10 1 1 A 46 46 THR HA H 88 3.953 4.057 -0.104 1 1 535 . 10 1 1 A 46 46 THR C C 88 177.011 177.124 -0.113 1 1 536 . 10 1 1 A 46 46 THR CA C 88 66.640 65.517 1.123 1 1 537 . 10 1 1 A 46 46 THR CB C 88 68.000 68.153 -0.153 1 1 539 . 10 1 1 A 46 46 THR N N 88 116.920 112.710 4.210 1 1 540 . 10 1 1 A 47 47 ALA H H 89 7.710 8.153 -0.443 1 1 541 . 10 1 1 A 47 47 ALA HA H 89 4.240 4.157 0.083 1 1 545 . 10 1 1 A 47 47 ALA C C 89 174.356 179.935 -5.579 1 1 546 . 10 1 1 A 47 47 ALA CA C 89 55.094 55.114 -0.020 1 1 547 . 10 1 1 A 47 47 ALA CB C 89 18.828 18.398 0.430 1 1 548 . 10 1 1 A 47 47 ALA N N 89 123.490 124.917 -1.427 1 1 549 . 10 1 1 A 48 48 LEU H H 90 8.570 8.662 -0.092 1 1 550 . 10 1 1 A 48 48 LEU HA H 90 3.445 3.956 -0.511 1 1 560 . 10 1 1 A 48 48 LEU C C 90 178.088 179.208 -1.120 1 1 561 . 10 1 1 A 48 48 LEU CA C 90 67.110 58.203 8.907 1 1 562 . 10 1 1 A 48 48 LEU CB C 90 31.420 40.917 -9.497 1 1 566 . 10 1 1 A 48 48 LEU N N 90 119.800 118.153 1.647 1 1 567 . 10 1 1 A 49 49 ASN H H 91 8.979 8.690 0.289 1 1 568 . 10 1 1 A 49 49 ASN HA H 91 4.494 4.478 0.016 1 1 571 . 10 1 1 A 49 49 ASN C C 91 178.227 177.383 0.844 1 1 572 . 10 1 1 A 49 49 ASN CA C 91 54.397 56.161 -1.764 1 1 573 . 10 1 1 A 49 49 ASN CB C 91 37.578 38.269 -0.691 1 1 574 . 10 1 1 A 49 49 ASN N N 91 117.500 118.029 -0.529 1 1 575 . 10 1 1 A 50 50 ALA H H 92 7.710 7.763 -0.053 1 1 576 . 10 1 1 A 50 50 ALA HA H 92 4.232 4.141 0.091 1 1 580 . 10 1 1 A 50 50 ALA C C 92 180.155 179.207 0.948 1 1 581 . 10 1 1 A 50 50 ALA CA C 92 54.886 54.004 0.882 1 1 582 . 10 1 1 A 50 50 ALA CB C 92 17.962 18.272 -0.310 1 1 583 . 10 1 1 A 50 50 ALA N N 92 120.900 122.232 -1.332 1 1 584 . 10 1 1 A 51 51 LEU H H 93 7.670 7.616 0.054 1 1 585 . 10 1 1 A 51 51 LEU HA H 93 4.340 4.224 0.116 1 1 595 . 10 1 1 A 51 51 LEU C C 93 179.407 177.836 1.571 1 1 596 . 10 1 1 A 51 51 LEU CA C 93 56.829 57.052 -0.223 1 1 597 . 10 1 1 A 51 51 LEU CB C 93 42.734 42.918 -0.184 1 1 601 . 10 1 1 A 51 51 LEU N N 93 117.980 116.928 1.052 1 1 602 . 10 1 1 A 52 52 THR H H 94 8.530 8.185 0.345 1 1 603 . 10 1 1 A 52 52 THR HA H 94 4.437 4.541 -0.104 1 1 608 . 10 1 1 A 52 52 THR C C 94 177.112 174.090 3.022 1 1 609 . 10 1 1 A 52 52 THR CA C 94 61.485 62.123 -0.638 1 1 610 . 10 1 1 A 52 52 THR CB C 94 70.860 68.845 2.015 1 1 612 . 10 1 1 A 52 52 THR N N 94 107.010 112.082 -5.072 1 1 613 . 10 1 1 A 53 53 GLU H H 95 8.001 8.421 -0.420 1 1 614 . 10 1 1 A 53 53 GLU HA H 95 4.062 4.132 -0.070 1 1 619 . 10 1 1 A 53 53 GLU C C 95 176.199 176.431 -0.232 1 1 620 . 10 1 1 A 53 53 GLU CA C 95 56.797 57.675 -0.878 1 1 621 . 10 1 1 A 53 53 GLU CB C 95 26.346 27.606 -1.260 1 1 623 . 10 1 1 A 53 53 GLU N N 95 117.560 119.840 -2.280 1 1 624 . 10 1 1 A 54 54 GLY H H 96 8.349 8.618 -0.269 1 1 625 . 10 1 1 A 54 54 GLY HA2 H 96 4.120 3.842 0.278 1 1 626 . 10 1 1 A 54 54 GLY HA3 H 96 3.520 3.846 -0.326 1 1 627 . 10 1 1 A 54 54 GLY C C 96 174.264 174.029 0.235 1 1 628 . 10 1 1 A 54 54 GLY CA C 96 44.600 45.469 -0.869 1 1 629 . 10 1 1 A 54 54 GLY N N 96 105.347 104.919 0.428 1 1 630 . 10 1 1 A 55 55 LYS H H 97 7.400 8.002 -0.602 1 1 631 . 10 1 1 A 55 55 LYS HA H 97 4.386 4.398 -0.012 1 1 640 . 10 1 1 A 55 55 LYS C C 97 177.395 176.511 0.884 1 1 641 . 10 1 1 A 55 55 LYS CA C 97 56.797 55.030 1.767 1 1 642 . 10 1 1 A 55 55 LYS CB C 97 30.522 31.684 -1.162 1 1 646 . 10 1 1 A 55 55 LYS N N 97 120.080 121.201 -1.121 1 1 647 . 10 1 1 A 56 56 LYS H H 98 8.510 8.440 0.070 1 1 648 . 10 1 1 A 56 56 LYS HA H 98 3.940 4.278 -0.338 1 1 657 . 10 1 1 A 56 56 LYS C C 98 176.420 178.167 -1.747 1 1 658 . 10 1 1 A 56 56 LYS CA C 98 56.741 58.497 -1.756 1 1 659 . 10 1 1 A 56 56 LYS CB C 98 30.079 32.482 -2.403 1 1 663 . 10 1 1 A 56 56 LYS N N 98 126.202 123.650 2.552 1 1 664 . 10 1 1 A 57 57 ASP H H 99 8.510 8.073 0.437 1 1 665 . 10 1 1 A 57 57 ASP HA H 99 4.570 4.408 0.162 1 1 668 . 10 1 1 A 57 57 ASP C C 99 174.777 177.562 -2.785 1 1 669 . 10 1 1 A 57 57 ASP CA C 99 52.991 57.505 -4.514 1 1 670 . 10 1 1 A 57 57 ASP CB C 99 38.516 40.603 -2.087 1 1 671 . 10 1 1 A 57 57 ASP N N 99 116.900 119.057 -2.157 1 1 672 . 10 1 1 A 58 58 THR H H 100 7.400 7.628 -0.228 1 1 673 . 10 1 1 A 58 58 THR HA H 100 3.971 4.324 -0.353 1 1 678 . 10 1 1 A 58 58 THR C C 100 172.742 174.346 -1.604 1 1 679 . 10 1 1 A 58 58 THR CA C 100 63.360 63.242 0.118 1 1 680 . 10 1 1 A 58 58 THR CB C 100 70.391 69.899 0.492 1 1 682 . 10 1 1 A 58 58 THR N N 100 117.350 115.693 1.657 1 1 683 . 10 1 1 A 59 59 THR H H 101 8.414 8.521 -0.107 1 1 684 . 10 1 1 A 59 59 THR HA H 101 4.174 4.733 -0.559 1 1 689 . 10 1 1 A 59 59 THR C C 101 172.505 174.341 -1.836 1 1 690 . 10 1 1 A 59 59 THR CA C 101 63.829 63.178 0.651 1 1 691 . 10 1 1 A 59 59 THR CB C 101 69.454 68.900 0.554 1 1 693 . 10 1 1 A 59 59 THR N N 101 123.260 120.780 2.480 1 1 694 . 10 1 1 A 60 60 ILE H H 102 8.190 8.597 -0.407 1 1 695 . 10 1 1 A 60 60 ILE HA H 102 4.399 5.082 -0.683 1 1 705 . 10 1 1 A 60 60 ILE C C 102 175.119 175.023 0.096 1 1 706 . 10 1 1 A 60 60 ILE CA C 102 58.204 60.362 -2.158 1 1 707 . 10 1 1 A 60 60 ILE CB C 102 38.047 40.923 -2.876 1 1 711 . 10 1 1 A 60 60 ILE N N 102 126.467 127.965 -1.498 1 1 712 . 10 1 1 A 61 61 PHE H H 103 8.900 8.747 0.153 1 1 713 . 10 1 1 A 61 61 PHE HA H 103 5.204 5.090 0.114 1 1 720 . 10 1 1 A 61 61 PHE C C 103 174.877 174.998 -0.121 1 1 721 . 10 1 1 A 61 61 PHE CA C 103 57.266 56.793 0.473 1 1 722 . 10 1 1 A 61 61 PHE CB C 103 40.860 39.382 1.478 1 1 723 . 10 1 1 A 61 61 PHE N N 103 125.650 126.501 -0.851 1 1 724 . 10 1 1 A 62 62 PHE H H 104 9.110 9.019 0.091 1 1 725 . 10 1 1 A 62 62 PHE HA H 104 5.590 4.981 0.609 1 1 732 . 10 1 1 A 62 62 PHE C C 104 174.407 173.845 0.562 1 1 733 . 10 1 1 A 62 62 PHE CA C 104 54.922 56.828 -1.906 1 1 734 . 10 1 1 A 62 62 PHE CB C 104 41.300 39.831 1.469 1 1 735 . 10 1 1 A 62 62 PHE N N 104 123.447 124.539 -1.092 1 1 736 . 10 1 1 A 63 63 ARG H H 105 9.020 8.745 0.275 1 1 737 . 10 1 1 A 63 63 ARG HA H 105 4.830 5.042 -0.212 1 1 744 . 10 1 1 A 63 63 ARG C C 105 173.862 174.872 -1.010 1 1 745 . 10 1 1 A 63 63 ARG CA C 105 54.453 54.589 -0.136 1 1 746 . 10 1 1 A 63 63 ARG CB C 105 32.422 33.239 -0.817 1 1 749 . 10 1 1 A 63 63 ARG N N 105 126.020 128.792 -2.772 1 1 750 . 10 1 1 A 64 64 ALA H H 106 8.640 8.537 0.103 1 1 751 . 10 1 1 A 64 64 ALA HA H 106 5.223 5.014 0.209 1 1 755 . 10 1 1 A 64 64 ALA C C 106 176.565 175.593 0.972 1 1 756 . 10 1 1 A 64 64 ALA CA C 106 50.235 49.836 0.399 1 1 757 . 10 1 1 A 64 64 ALA CB C 106 22.110 23.144 -1.034 1 1 758 . 10 1 1 A 64 64 ALA N N 106 126.540 128.366 -1.826 1 1 759 . 10 1 1 A 65 65 ASP H H 107 7.900 8.451 -0.551 1 1 760 . 10 1 1 A 65 65 ASP HA H 107 4.685 4.468 0.217 1 1 763 . 10 1 1 A 65 65 ASP C C 107 176.987 177.715 -0.728 1 1 764 . 10 1 1 A 65 65 ASP CA C 107 54.453 54.239 0.214 1 1 765 . 10 1 1 A 65 65 ASP CB C 107 42.209 42.608 -0.399 1 1 766 . 10 1 1 A 65 65 ASP N N 107 121.600 120.688 0.912 1 1 767 . 10 1 1 A 66 66 LYS H H 108 8.700 8.757 -0.057 1 1 768 . 10 1 1 A 66 66 LYS HA H 108 4.221 4.188 0.033 1 1 777 . 10 1 1 A 66 66 LYS C C 108 177.007 177.356 -0.349 1 1 778 . 10 1 1 A 66 66 LYS CA C 108 58.682 58.406 0.276 1 1 779 . 10 1 1 A 66 66 LYS CB C 108 32.422 32.105 0.317 1 1 783 . 10 1 1 A 66 66 LYS N N 108 120.740 125.354 -4.614 1 1 784 . 10 1 1 A 67 67 THR H H 109 8.035 7.607 0.428 1 1 785 . 10 1 1 A 67 67 THR HA H 109 4.270 4.516 -0.246 1 1 790 . 10 1 1 A 67 67 THR C C 109 175.031 174.757 0.274 1 1 791 . 10 1 1 A 67 67 THR CA C 109 62.422 61.239 1.183 1 1 792 . 10 1 1 A 67 67 THR CB C 109 68.985 68.847 0.138 1 1 794 . 10 1 1 A 67 67 THR N N 109 108.086 107.644 0.442 1 1 795 . 10 1 1 A 68 68 VAL H H 110 7.470 7.128 0.342 1 1 796 . 10 1 1 A 68 68 VAL HA H 110 3.960 3.898 0.062 1 1 804 . 10 1 1 A 68 68 VAL C C 110 175.691 175.435 0.256 1 1 805 . 10 1 1 A 68 68 VAL CA C 110 63.360 63.586 -0.226 1 1 806 . 10 1 1 A 68 68 VAL CB C 110 32.422 31.965 0.457 1 1 809 . 10 1 1 A 68 68 VAL N N 110 123.270 123.719 -0.449 1 1 810 . 10 1 1 A 69 69 ASP H H 111 8.710 8.444 0.266 1 1 811 . 10 1 1 A 69 69 ASP HA H 111 4.645 5.078 -0.433 1 1 814 . 10 1 1 A 69 69 ASP C C 111 176.150 176.805 -0.655 1 1 815 . 10 1 1 A 69 69 ASP CA C 111 53.989 52.810 1.179 1 1 816 . 10 1 1 A 69 69 ASP CB C 111 41.328 44.098 -2.770 1 1 817 . 10 1 1 A 69 69 ASP N N 111 126.170 127.418 -1.248 1 1 818 . 10 1 1 A 70 70 TYR H H 112 8.840 9.061 -0.221 1 1 819 . 10 1 1 A 70 70 TYR HA H 112 4.056 4.132 -0.076 1 1 826 . 10 1 1 A 70 70 TYR C C 112 177.075 177.735 -0.660 1 1 827 . 10 1 1 A 70 70 TYR CA C 112 61.890 62.217 -0.327 1 1 828 . 10 1 1 A 70 70 TYR CB C 112 38.980 38.666 0.314 1 1 829 . 10 1 1 A 70 70 TYR N N 112 123.360 123.725 -0.365 1 1 830 . 10 1 1 A 71 71 GLU H H 113 8.550 8.123 0.427 1 1 831 . 10 1 1 A 71 71 GLU HA H 113 3.904 3.977 -0.073 1 1 836 . 10 1 1 A 71 71 GLU C C 113 179.338 179.042 0.296 1 1 837 . 10 1 1 A 71 71 GLU CA C 113 59.610 59.162 0.448 1 1 838 . 10 1 1 A 71 71 GLU CB C 113 27.765 28.969 -1.204 1 1 840 . 10 1 1 A 71 71 GLU N N 113 116.730 118.050 -1.320 1 1 841 . 10 1 1 A 72 72 THR H H 114 7.780 8.137 -0.357 1 1 842 . 10 1 1 A 72 72 THR HA H 114 4.320 4.007 0.313 1 1 847 . 10 1 1 A 72 72 THR C C 114 175.987 176.524 -0.537 1 1 848 . 10 1 1 A 72 72 THR CA C 114 67.579 67.108 0.471 1 1 849 . 10 1 1 A 72 72 THR CB C 114 66.640 68.705 -2.065 1 1 851 . 10 1 1 A 72 72 THR N N 114 117.340 118.642 -1.302 1 1 852 . 10 1 1 A 73 73 LEU H H 115 7.570 7.988 -0.418 1 1 853 . 10 1 1 A 73 73 LEU HA H 115 3.838 4.051 -0.213 1 1 863 . 10 1 1 A 73 73 LEU C C 115 178.670 178.567 0.103 1 1 864 . 10 1 1 A 73 73 LEU CA C 115 58.203 58.083 0.120 1 1 865 . 10 1 1 A 73 73 LEU CB C 115 40.860 41.291 -0.431 1 1 868 . 10 1 1 A 73 73 LEU N N 115 120.510 118.734 1.776 1 1 869 . 10 1 1 A 74 74 MET H H 116 8.280 7.783 0.497 1 1 870 . 10 1 1 A 74 74 MET HA H 116 4.100 4.168 -0.068 1 1 878 . 10 1 1 A 74 74 MET C C 116 178.503 178.233 0.270 1 1 879 . 10 1 1 A 74 74 MET CA C 116 57.210 58.008 -0.798 1 1 880 . 10 1 1 A 74 74 MET CB C 116 32.400 31.915 0.485 1 1 883 . 10 1 1 A 74 74 MET N N 116 116.240 119.033 -2.793 1 1 884 . 10 1 1 A 75 75 LYS H H 117 7.755 7.443 0.312 1 1 885 . 10 1 1 A 75 75 LYS HA H 117 4.146 4.054 0.092 1 1 894 . 10 1 1 A 75 75 LYS C C 117 173.559 179.216 -5.657 1 1 895 . 10 1 1 A 75 75 LYS CA C 117 59.610 58.837 0.773 1 1 896 . 10 1 1 A 75 75 LYS CB C 117 31.495 32.417 -0.922 1 1 900 . 10 1 1 A 75 75 LYS N N 117 120.230 119.468 0.762 1 1 901 . 10 1 1 A 76 76 VAL H H 118 7.880 8.251 -0.371 1 1 902 . 10 1 1 A 76 76 VAL HA H 118 3.598 3.846 -0.248 1 1 910 . 10 1 1 A 76 76 VAL C C 118 178.205 178.146 0.059 1 1 911 . 10 1 1 A 76 76 VAL CA C 118 66.641 65.335 1.306 1 1 912 . 10 1 1 A 76 76 VAL CB C 118 31.485 31.634 -0.149 1 1 915 . 10 1 1 A 76 76 VAL N N 118 120.500 116.417 4.083 1 1 916 . 10 1 1 A 77 77 MET H H 119 8.262 7.717 0.545 1 1 917 . 10 1 1 A 77 77 MET HA H 119 3.904 4.030 -0.126 1 1 925 . 10 1 1 A 77 77 MET C C 119 178.200 177.850 0.350 1 1 926 . 10 1 1 A 77 77 MET CA C 119 59.610 58.700 0.910 1 1 927 . 10 1 1 A 77 77 MET CB C 119 32.422 32.480 -0.058 1 1 930 . 10 1 1 A 77 77 MET N N 119 118.320 120.139 -1.819 1 1 931 . 10 1 1 A 78 78 ASP H H 120 8.720 7.774 0.946 1 1 932 . 10 1 1 A 78 78 ASP HA H 120 4.400 4.265 0.135 1 1 935 . 10 1 1 A 78 78 ASP C C 120 178.216 178.738 -0.522 1 1 936 . 10 1 1 A 78 78 ASP CA C 120 56.797 57.009 -0.212 1 1 937 . 10 1 1 A 78 78 ASP CB C 120 38.980 40.343 -1.363 1 1 938 . 10 1 1 A 78 78 ASP N N 120 117.800 119.212 -1.412 1 1 939 . 10 1 1 A 79 79 THR H H 121 8.040 8.014 0.026 1 1 940 . 10 1 1 A 79 79 THR HA H 121 3.939 4.033 -0.094 1 1 945 . 10 1 1 A 79 79 THR C C 121 176.582 177.008 -0.426 1 1 946 . 10 1 1 A 79 79 THR CA C 121 66.641 67.093 -0.452 1 1 947 . 10 1 1 A 79 79 THR CB C 121 68.516 68.692 -0.176 1 1 949 . 10 1 1 A 79 79 THR N N 121 118.470 117.890 0.580 1 1 950 . 10 1 1 A 80 80 LEU H H 122 7.931 8.040 -0.109 1 1 951 . 10 1 1 A 80 80 LEU HA H 122 4.136 4.175 -0.039 1 1 961 . 10 1 1 A 80 80 LEU C C 122 178.936 179.194 -0.258 1 1 962 . 10 1 1 A 80 80 LEU CA C 122 58.672 58.004 0.668 1 1 963 . 10 1 1 A 80 80 LEU CB C 122 41.328 41.110 0.218 1 1 967 . 10 1 1 A 80 80 LEU N N 122 121.676 118.579 3.097 1 1 968 . 10 1 1 A 81 81 HIS H H 123 8.825 8.334 0.491 1 1 969 . 10 1 1 A 81 81 HIS HA H 123 4.455 4.246 0.209 1 1 974 . 10 1 1 A 81 81 HIS C C 123 179.780 178.170 1.610 1 1 975 . 10 1 1 A 81 81 HIS CA C 123 57.732 60.002 -2.270 1 1 976 . 10 1 1 A 81 81 HIS CB C 123 28.672 29.531 -0.859 1 1 977 . 10 1 1 A 81 81 HIS N N 123 117.910 118.687 -0.777 1 1 978 . 10 1 1 A 82 82 GLN H H 124 8.740 8.191 0.549 1 1 979 . 10 1 1 A 82 82 GLN HA H 124 4.092 4.045 0.047 1 1 984 . 10 1 1 A 82 82 GLN C C 124 177.091 177.361 -0.270 1 1 985 . 10 1 1 A 82 82 GLN CA C 124 58.672 58.506 0.166 1 1 986 . 10 1 1 A 82 82 GLN CB C 124 28.204 28.703 -0.499 1 1 988 . 10 1 1 A 82 82 GLN N N 124 120.420 117.327 3.093 1 1 989 . 10 1 1 A 83 83 ALA H H 125 7.330 7.350 -0.020 1 1 990 . 10 1 1 A 83 83 ALA HA H 125 4.495 4.316 0.179 1 1 994 . 10 1 1 A 83 83 ALA C C 125 176.371 177.806 -1.435 1 1 995 . 10 1 1 A 83 83 ALA CA C 125 52.110 51.481 0.629 1 1 996 . 10 1 1 A 83 83 ALA CB C 125 19.756 18.462 1.294 1 1 997 . 10 1 1 A 83 83 ALA N N 125 119.130 118.971 0.159 1 1 998 . 10 1 1 A 84 84 GLY H H 126 7.780 8.119 -0.339 1 1 999 . 10 1 1 A 84 84 GLY HA2 H 126 4.111 3.827 0.284 1 1 1000 . 10 1 1 A 84 84 GLY HA3 H 126 3.505 3.893 -0.388 1 1 1001 . 10 1 1 A 84 84 GLY C C 126 173.562 173.851 -0.289 1 1 1002 . 10 1 1 A 84 84 GLY CA C 126 44.610 46.647 -2.037 1 1 1003 . 10 1 1 A 84 84 GLY N N 126 104.120 107.700 -3.580 1 1 1004 . 10 1 1 A 85 85 TYR H H 127 7.910 8.291 -0.381 1 1 1005 . 10 1 1 A 85 85 TYR HA H 127 4.551 4.150 0.401 1 1 1012 . 10 1 1 A 85 85 TYR C C 127 177.192 175.761 1.431 1 1 1013 . 10 1 1 A 85 85 TYR CA C 127 59.610 58.025 1.585 1 1 1014 . 10 1 1 A 85 85 TYR CB C 127 37.110 36.534 0.576 1 1 1015 . 10 1 1 A 85 85 TYR N N 127 120.310 122.299 -1.989 1 1 1016 . 10 1 1 A 86 86 LEU H H 128 7.835 8.306 -0.471 1 1 1017 . 10 1 1 A 86 86 LEU HA H 128 4.357 4.586 -0.229 1 1 1027 . 10 1 1 A 86 86 LEU C C 128 178.503 176.012 2.491 1 1 1028 . 10 1 1 A 86 86 LEU CA C 128 54.456 54.380 0.076 1 1 1029 . 10 1 1 A 86 86 LEU CB C 128 43.203 42.635 0.568 1 1 1033 . 10 1 1 A 86 86 LEU N N 128 120.100 121.340 -1.240 1 1 1034 . 10 1 1 A 87 87 LYS H H 129 9.330 7.816 1.514 1 1 1035 . 10 1 1 A 87 87 LYS HA H 129 4.512 4.586 -0.074 1 1 1044 . 10 1 1 A 87 87 LYS C C 129 173.251 174.860 -1.609 1 1 1045 . 10 1 1 A 87 87 LYS CA C 129 54.922 55.448 -0.526 1 1 1046 . 10 1 1 A 87 87 LYS CB C 129 31.000 33.396 -2.396 1 1 1050 . 10 1 1 A 87 87 LYS N N 129 125.180 118.898 6.282 1 1 1051 . 10 1 1 A 88 88 ILE H H 130 7.589 8.391 -0.802 1 1 1052 . 10 1 1 A 88 88 ILE HA H 130 5.015 4.827 0.188 1 1 1062 . 10 1 1 A 88 88 ILE C C 130 176.481 175.713 0.768 1 1 1063 . 10 1 1 A 88 88 ILE CA C 130 58.672 59.537 -0.865 1 1 1064 . 10 1 1 A 88 88 ILE CB C 130 40.391 39.528 0.863 1 1 1068 . 10 1 1 A 88 88 ILE N N 130 122.487 125.419 -2.932 1 1 1069 . 10 1 1 A 89 89 GLY H H 131 8.960 8.712 0.248 1 1 1070 . 10 1 1 A 89 89 GLY HA2 H 131 4.543 2.779 1.764 1 1 1071 . 10 1 1 A 89 89 GLY HA3 H 131 3.488 3.624 -0.136 1 1 1072 . 10 1 1 A 89 89 GLY C C 131 171.936 172.188 -0.252 1 1 1073 . 10 1 1 A 89 89 GLY CA C 131 44.610 44.684 -0.074 1 1 1074 . 10 1 1 A 89 89 GLY N N 131 115.300 115.265 0.035 1 1 1075 . 10 1 1 A 90 90 LEU H H 132 8.610 8.888 -0.278 1 1 1076 . 10 1 1 A 90 90 LEU HA H 132 5.061 4.757 0.304 1 1 1086 . 10 1 1 A 90 90 LEU C C 132 177.246 176.738 0.508 1 1 1087 . 10 1 1 A 90 90 LEU CA C 132 54.453 53.478 0.975 1 1 1088 . 10 1 1 A 90 90 LEU CB C 132 42.735 41.707 1.028 1 1 1092 . 10 1 1 A 90 90 LEU N N 132 124.560 124.654 -0.094 1 1 1093 . 10 1 1 A 91 91 VAL H H 133 8.630 8.693 -0.063 1 1 1094 . 10 1 1 A 91 91 VAL HA H 133 4.299 4.117 0.182 1 1 1102 . 10 1 1 A 91 91 VAL C C 133 176.296 176.489 -0.193 1 1 1103 . 10 1 1 A 91 91 VAL CA C 133 61.953 63.646 -1.693 1 1 1104 . 10 1 1 A 91 91 VAL CB C 133 33.360 31.937 1.423 1 1 1107 . 10 1 1 A 91 91 VAL N N 133 123.280 125.918 -2.638 1 1 1108 . 10 1 1 A 92 92 GLY H H 134 8.620 8.916 -0.296 1 1 1109 . 10 1 1 A 92 92 GLY HA2 H 134 4.154 3.870 0.284 1 1 1110 . 10 1 1 A 92 92 GLY HA3 H 134 4.007 3.873 0.134 1 1 1111 . 10 1 1 A 92 92 GLY C C 134 174.157 173.594 0.563 1 1 1112 . 10 1 1 A 92 92 GLY CA C 134 45.097 47.462 -2.365 1 1 1113 . 10 1 1 A 92 92 GLY N N 134 112.500 117.072 -4.572 1 1 1114 . 10 1 1 A 93 93 GLU H H 135 8.278 8.330 -0.052 1 1 1115 . 10 1 1 A 93 93 GLU HA H 135 4.387 4.883 -0.496 1 1 1120 . 10 1 1 A 93 93 GLU C C 135 176.500 174.154 2.346 1 1 1121 . 10 1 1 A 93 93 GLU CA C 135 56.797 55.132 1.665 1 1 1122 . 10 1 1 A 93 93 GLU CB C 135 29.141 32.348 -3.207 1 1 1124 . 10 1 1 A 93 93 GLU N N 135 119.460 118.748 0.712 1 1 1125 . 10 1 1 A 94 94 GLU H H 136 8.680 8.754 -0.074 1 1 1126 . 10 1 1 A 94 94 GLU HA H 136 4.387 4.757 -0.370 1 1 1131 . 10 1 1 A 94 94 GLU C C 136 176.970 174.695 2.275 1 1 1132 . 10 1 1 A 94 94 GLU CA C 136 56.797 54.314 2.483 1 1 1133 . 10 1 1 A 94 94 GLU CB C 136 29.141 30.663 -1.522 1 1 1135 . 10 1 1 A 94 94 GLU N N 136 121.740 123.004 -1.264 1 1 1136 . 10 1 1 A 95 95 THR H H 137 8.221 8.789 -0.568 1 1 1137 . 10 1 1 A 95 95 THR HA H 137 4.228 5.161 -0.933 1 1 1142 . 10 1 1 A 95 95 THR C C 137 174.880 172.526 2.354 1 1 1143 . 10 1 1 A 95 95 THR CA C 137 62.422 59.459 2.963 1 1 1144 . 10 1 1 A 95 95 THR CB C 137 69.454 72.159 -2.705 1 1 1146 . 10 1 1 A 95 95 THR N N 137 115.380 114.657 0.723 1 1 1147 . 10 1 1 A 96 96 ALA H H 138 8.311 8.541 -0.230 1 1 1148 . 10 1 1 A 96 96 ALA HA H 138 4.233 4.678 -0.445 1 1 1152 . 10 1 1 A 96 96 ALA C C 138 178.469 176.871 1.598 1 1 1153 . 10 1 1 A 96 96 ALA CA C 138 53.516 50.645 2.871 1 1 1154 . 10 1 1 A 96 96 ALA CB C 138 18.828 22.803 -3.975 1 1 1155 . 10 1 1 A 96 96 ALA N N 138 125.688 125.785 -0.097 1 1 1156 . 10 1 1 A 97 97 LYS H H 139 8.210 8.579 -0.369 1 1 1157 . 10 1 1 A 97 97 LYS HA H 139 4.163 4.233 -0.070 1 1 1166 . 10 1 1 A 97 97 LYS C C 139 177.154 175.061 2.093 1 1 1167 . 10 1 1 A 97 97 LYS CA C 139 57.265 58.086 -0.821 1 1 1168 . 10 1 1 A 97 97 LYS CB C 139 32.891 31.877 1.014 1 1 1172 . 10 1 1 A 97 97 LYS N N 139 120.110 116.993 3.117 1 1 1173 . 10 1 1 A 98 98 ALA H H 140 8.170 8.417 -0.247 1 1 1174 . 10 1 1 A 98 98 ALA HA H 140 4.209 4.870 -0.661 1 1 1178 . 10 1 1 A 98 98 ALA C C 140 178.469 174.707 3.762 1 1 1179 . 10 1 1 A 98 98 ALA CA C 140 53.516 51.087 2.429 1 1 1180 . 10 1 1 A 98 98 ALA CB C 140 18.828 23.714 -4.886 1 1 1181 . 10 1 1 A 98 98 ALA N N 140 124.210 120.662 3.548 1 1 1 . 11 1 1 A 2 2 ASP H H 44 8.930 8.599 0.331 1 1 2 . 11 1 1 A 2 2 ASP HA H 44 4.860 5.127 -0.267 1 1 5 . 11 1 1 A 2 2 ASP C C 44 175.278 174.167 1.111 1 1 6 . 11 1 1 A 2 2 ASP CA C 44 53.516 53.835 -0.319 1 1 7 . 11 1 1 A 2 2 ASP CB C 44 39.397 41.893 -2.496 1 1 8 . 11 1 1 A 2 2 ASP N N 44 122.920 125.113 -2.193 1 1 9 . 11 1 1 A 3 3 VAL H H 45 8.329 8.832 -0.503 1 1 10 . 11 1 1 A 3 3 VAL HA H 45 4.120 4.876 -0.756 1 1 18 . 11 1 1 A 3 3 VAL C C 45 175.938 175.037 0.901 1 1 19 . 11 1 1 A 3 3 VAL CA C 45 62.422 60.144 2.278 1 1 20 . 11 1 1 A 3 3 VAL CB C 45 32.300 34.159 -1.859 1 1 23 . 11 1 1 A 3 3 VAL N N 45 121.541 124.749 -3.208 1 1 24 . 11 1 1 A 4 4 LYS H H 46 8.400 8.452 -0.052 1 1 25 . 11 1 1 A 4 4 LYS HA H 46 4.387 4.394 -0.007 1 1 34 . 11 1 1 A 4 4 LYS C C 46 176.333 176.535 -0.202 1 1 35 . 11 1 1 A 4 4 LYS CA C 46 56.270 56.454 -0.184 1 1 36 . 11 1 1 A 4 4 LYS CB C 46 32.874 33.143 -0.269 1 1 40 . 11 1 1 A 4 4 LYS N N 46 125.410 127.320 -1.910 1 1 42 . 11 1 1 A 5 5 VAL H H 47 8.190 8.851 -0.661 1 1 43 . 11 1 1 A 5 5 VAL HA H 47 4.118 4.950 -0.832 1 1 51 . 11 1 1 A 5 5 VAL C C 47 175.567 175.710 -0.143 1 1 52 . 11 1 1 A 5 5 VAL CA C 47 61.954 59.659 2.295 1 1 53 . 11 1 1 A 5 5 VAL CB C 47 32.443 34.644 -2.201 1 1 56 . 11 1 1 A 5 5 VAL N N 47 121.672 118.030 3.642 1 1 57 . 11 1 1 A 6 6 ASN H H 48 8.571 8.613 -0.042 1 1 58 . 11 1 1 A 6 6 ASN HA H 48 4.750 5.125 -0.375 1 1 61 . 11 1 1 A 6 6 ASN C C 48 174.566 174.417 0.149 1 1 62 . 11 1 1 A 6 6 ASN CA C 48 53.047 52.862 0.185 1 1 63 . 11 1 1 A 6 6 ASN CB C 48 38.901 40.654 -1.753 1 1 64 . 11 1 1 A 6 6 ASN N N 48 123.230 119.856 3.374 1 1 65 . 11 1 1 A 7 7 LEU H H 49 8.286 8.804 -0.518 1 1 66 . 11 1 1 A 7 7 LEU HA H 49 4.632 4.963 -0.331 1 1 76 . 11 1 1 A 7 7 LEU C C 49 175.162 173.709 1.453 1 1 77 . 11 1 1 A 7 7 LEU CA C 49 53.047 52.129 0.918 1 1 78 . 11 1 1 A 7 7 LEU CB C 49 41.825 43.219 -1.394 1 1 82 . 11 1 1 A 7 7 LEU N N 49 124.491 122.202 2.289 1 1 83 . 11 1 1 A 8 8 PRO HA H 50 4.443 4.783 -0.340 1 1 90 . 11 1 1 A 8 8 PRO C C 50 176.734 175.973 0.761 1 1 91 . 11 1 1 A 8 8 PRO CA C 50 62.903 62.658 0.245 1 1 92 . 11 1 1 A 8 8 PRO CB C 50 31.839 33.509 -1.670 1 1 95 . 11 1 1 A 9 9 ALA H H 51 8.424 8.486 -0.062 1 1 96 . 11 1 1 A 9 9 ALA HA H 51 4.330 4.784 -0.454 1 1 100 . 11 1 1 A 9 9 ALA C C 51 178.124 176.168 1.956 1 1 101 . 11 1 1 A 9 9 ALA CA C 51 52.578 52.184 0.394 1 1 102 . 11 1 1 A 9 9 ALA CB C 51 19.297 21.573 -2.276 1 1 103 . 11 1 1 A 9 9 ALA N N 51 124.364 121.777 2.587 1 1 104 . 11 1 1 A 10 10 SER H H 52 8.380 8.911 -0.531 1 1 105 . 11 1 1 A 10 10 SER HA H 52 4.223 4.567 -0.344 1 1 108 . 11 1 1 A 10 10 SER C C 52 174.982 174.056 0.926 1 1 109 . 11 1 1 A 10 10 SER CA C 52 58.672 59.627 -0.955 1 1 110 . 11 1 1 A 10 10 SER CB C 52 63.829 63.542 0.287 1 1 111 . 11 1 1 A 10 10 SER N N 52 114.800 120.773 -5.973 1 1 112 . 11 1 1 A 11 11 THR H H 53 8.227 8.763 -0.536 1 1 113 . 11 1 1 A 11 11 THR HA H 53 4.478 5.016 -0.538 1 1 118 . 11 1 1 A 11 11 THR C C 53 174.612 173.322 1.290 1 1 119 . 11 1 1 A 11 11 THR CA C 53 61.922 60.045 1.877 1 1 120 . 11 1 1 A 11 11 THR CB C 53 69.922 69.478 0.444 1 1 122 . 11 1 1 A 11 11 THR N N 53 115.236 116.899 -1.663 1 1 123 . 11 1 1 A 12 12 SER H H 54 8.330 8.825 -0.495 1 1 124 . 11 1 1 A 12 12 SER HA H 54 4.559 5.145 -0.586 1 1 127 . 11 1 1 A 12 12 SER C C 54 174.299 172.098 2.201 1 1 128 . 11 1 1 A 12 12 SER CA C 54 58.204 57.402 0.802 1 1 129 . 11 1 1 A 12 12 SER CB C 54 63.891 63.980 -0.089 1 1 130 . 11 1 1 A 12 12 SER N N 54 117.770 120.214 -2.444 1 1 131 . 11 1 1 A 13 13 THR H H 55 8.274 8.838 -0.564 1 1 132 . 11 1 1 A 13 13 THR HA H 55 4.624 4.949 -0.325 1 1 137 . 11 1 1 A 13 13 THR C C 55 170.400 172.615 -2.215 1 1 138 . 11 1 1 A 13 13 THR CA C 55 60.079 59.020 1.059 1 1 139 . 11 1 1 A 13 13 THR CB C 55 69.922 69.764 0.158 1 1 141 . 11 1 1 A 13 13 THR N N 55 118.865 121.519 -2.654 1 1 142 . 11 1 1 A 14 14 PRO HA H 56 4.458 4.593 -0.135 1 1 149 . 11 1 1 A 14 14 PRO C C 56 176.748 175.901 0.847 1 1 150 . 11 1 1 A 14 14 PRO CA C 56 63.076 62.298 0.778 1 1 151 . 11 1 1 A 14 14 PRO CB C 56 32.043 32.867 -0.824 1 1 154 . 11 1 1 A 15 15 GLN H H 57 8.547 8.662 -0.115 1 1 155 . 11 1 1 A 15 15 GLN HA H 57 4.620 4.985 -0.365 1 1 160 . 11 1 1 A 15 15 GLN CA C 57 53.600 53.046 0.554 1 1 161 . 11 1 1 A 15 15 GLN CB C 57 29.141 32.032 -2.891 1 1 163 . 11 1 1 A 15 15 GLN N N 57 122.041 116.708 5.333 1 1 165 . 11 1 1 A 16 16 PRO HA H 58 4.458 4.558 -0.100 1 1 172 . 11 1 1 A 16 16 PRO C C 58 176.620 175.928 0.692 1 1 173 . 11 1 1 A 16 16 PRO CA C 58 62.872 62.754 0.118 1 1 174 . 11 1 1 A 16 16 PRO CB C 58 32.111 32.135 -0.024 1 1 177 . 11 1 1 A 17 17 ARG H H 59 8.511 8.518 -0.007 1 1 178 . 11 1 1 A 17 17 ARG HA H 59 4.643 4.683 -0.040 1 1 185 . 11 1 1 A 17 17 ARG CA C 59 53.985 54.074 -0.089 1 1 186 . 11 1 1 A 17 17 ARG CB C 59 30.195 31.901 -1.706 1 1 189 . 11 1 1 A 17 17 ARG N N 59 122.731 122.131 0.600 1 1 190 . 11 1 1 A 18 18 PRO HA H 60 4.458 4.645 -0.187 1 1 197 . 11 1 1 A 18 18 PRO C C 60 176.892 176.149 0.743 1 1 198 . 11 1 1 A 18 18 PRO CA C 60 62.940 62.614 0.326 1 1 199 . 11 1 1 A 18 18 PRO CB C 60 32.891 32.615 0.276 1 1 202 . 11 1 1 A 19 19 GLU H H 61 8.480 8.510 -0.030 1 1 203 . 11 1 1 A 19 19 GLU HA H 61 4.391 5.026 -0.635 1 1 208 . 11 1 1 A 19 19 GLU C C 61 176.174 175.556 0.618 1 1 209 . 11 1 1 A 19 19 GLU CA C 61 54.922 55.076 -0.154 1 1 210 . 11 1 1 A 19 19 GLU CB C 61 29.141 32.484 -3.343 1 1 212 . 11 1 1 A 19 19 GLU N N 61 120.840 118.765 2.075 1 1 213 . 11 1 1 A 20 20 LYS H H 62 8.502 9.071 -0.569 1 1 214 . 11 1 1 A 20 20 LYS HA H 62 4.620 5.045 -0.425 1 1 223 . 11 1 1 A 20 20 LYS C C 62 171.420 174.317 -2.897 1 1 224 . 11 1 1 A 20 20 LYS CA C 62 54.827 53.225 1.602 1 1 225 . 11 1 1 A 20 20 LYS CB C 62 32.422 35.519 -3.097 1 1 229 . 11 1 1 A 20 20 LYS N N 62 125.117 121.050 4.067 1 1 230 . 11 1 1 A 21 21 PRO HA H 63 4.448 4.541 -0.093 1 1 237 . 11 1 1 A 21 21 PRO CA C 63 62.261 62.478 -0.217 1 1 238 . 11 1 1 A 21 21 PRO CB C 63 32.422 32.333 0.089 1 1 241 . 11 1 1 A 22 22 VAL H H 64 8.570 8.594 -0.024 1 1 242 . 11 1 1 A 22 22 VAL HA H 64 4.097 4.391 -0.294 1 1 250 . 11 1 1 A 22 22 VAL C C 64 173.862 174.424 -0.562 1 1 251 . 11 1 1 A 22 22 VAL CA C 64 61.000 61.788 -0.788 1 1 252 . 11 1 1 A 22 22 VAL CB C 64 33.770 32.624 1.146 1 1 255 . 11 1 1 A 22 22 VAL N N 64 120.453 121.577 -1.124 1 1 256 . 11 1 1 A 23 23 TYR H H 65 8.600 9.078 -0.478 1 1 257 . 11 1 1 A 23 23 TYR HA H 65 5.207 5.479 -0.272 1 1 264 . 11 1 1 A 23 23 TYR C C 65 174.916 174.053 0.863 1 1 265 . 11 1 1 A 23 23 TYR CA C 65 57.210 55.922 1.288 1 1 266 . 11 1 1 A 23 23 TYR CB C 65 39.454 41.910 -2.456 1 1 267 . 11 1 1 A 23 23 TYR N N 65 124.580 128.702 -4.122 1 1 268 . 11 1 1 A 24 24 LEU H H 66 9.186 9.548 -0.362 1 1 269 . 11 1 1 A 24 24 LEU HA H 66 5.261 5.291 -0.030 1 1 279 . 11 1 1 A 24 24 LEU C C 66 175.491 175.960 -0.469 1 1 280 . 11 1 1 A 24 24 LEU CA C 66 53.516 53.663 -0.147 1 1 281 . 11 1 1 A 24 24 LEU CB C 66 45.078 44.246 0.832 1 1 285 . 11 1 1 A 24 24 LEU N N 66 128.669 127.921 0.748 1 1 286 . 11 1 1 A 25 25 SER H H 67 9.300 8.896 0.404 1 1 287 . 11 1 1 A 25 25 SER HA H 67 5.637 5.305 0.332 1 1 290 . 11 1 1 A 25 25 SER C C 67 173.470 173.537 -0.067 1 1 291 . 11 1 1 A 25 25 SER CA C 67 56.784 57.559 -0.775 1 1 292 . 11 1 1 A 25 25 SER CB C 67 65.267 65.251 0.016 1 1 293 . 11 1 1 A 25 25 SER N N 67 120.290 120.886 -0.596 1 1 294 . 11 1 1 A 26 26 VAL H H 68 8.600 8.962 -0.362 1 1 295 . 11 1 1 A 26 26 VAL HA H 68 4.847 5.101 -0.254 1 1 303 . 11 1 1 A 26 26 VAL C C 68 175.205 174.544 0.661 1 1 304 . 11 1 1 A 26 26 VAL CA C 68 60.950 59.471 1.479 1 1 305 . 11 1 1 A 26 26 VAL CB C 68 33.770 34.998 -1.228 1 1 308 . 11 1 1 A 26 26 VAL N N 68 123.723 125.472 -1.749 1 1 309 . 11 1 1 A 27 27 LYS H H 69 8.760 8.508 0.252 1 1 310 . 11 1 1 A 27 27 LYS HA H 69 4.630 4.879 -0.249 1 1 319 . 11 1 1 A 27 27 LYS C C 69 176.007 176.020 -0.013 1 1 320 . 11 1 1 A 27 27 LYS CA C 69 62.400 55.058 7.342 1 1 321 . 11 1 1 A 27 27 LYS CB C 69 33.820 34.619 -0.799 1 1 325 . 11 1 1 A 27 27 LYS N N 69 126.000 120.063 5.937 1 1 326 . 11 1 1 A 28 28 ALA H H 70 8.728 8.642 0.086 1 1 327 . 11 1 1 A 28 28 ALA HA H 70 4.018 3.950 0.068 1 1 331 . 11 1 1 A 28 28 ALA C C 70 177.852 176.753 1.099 1 1 332 . 11 1 1 A 28 28 ALA CA C 70 53.985 54.273 -0.288 1 1 333 . 11 1 1 A 28 28 ALA CB C 70 19.297 17.835 1.462 1 1 334 . 11 1 1 A 28 28 ALA N N 70 124.480 122.238 2.242 1 1 335 . 11 1 1 A 29 29 ASP H H 71 8.256 8.631 -0.375 1 1 336 . 11 1 1 A 29 29 ASP HA H 71 4.497 4.546 -0.049 1 1 339 . 11 1 1 A 29 29 ASP C C 71 176.455 176.262 0.193 1 1 340 . 11 1 1 A 29 29 ASP CA C 71 53.985 53.514 0.471 1 1 341 . 11 1 1 A 29 29 ASP CB C 71 39.315 38.923 0.392 1 1 342 . 11 1 1 A 29 29 ASP N N 71 118.722 119.570 -0.848 1 1 343 . 11 1 1 A 30 30 ASN H H 72 8.380 8.486 -0.106 1 1 344 . 11 1 1 A 30 30 ASN HA H 72 4.374 4.339 0.035 1 1 349 . 11 1 1 A 30 30 ASN C C 72 174.641 173.817 0.824 1 1 350 . 11 1 1 A 30 30 ASN CA C 72 54.453 54.295 0.158 1 1 351 . 11 1 1 A 30 30 ASN CB C 72 37.579 36.758 0.821 1 1 352 . 11 1 1 A 30 30 ASN N N 72 113.000 119.030 -6.030 1 1 353 . 11 1 1 A 31 31 SER H H 73 7.710 7.674 0.036 1 1 354 . 11 1 1 A 31 31 SER HA H 73 4.404 4.906 -0.502 1 1 357 . 11 1 1 A 31 31 SER C C 73 172.527 172.941 -0.414 1 1 358 . 11 1 1 A 31 31 SER CA C 73 58.672 56.784 1.888 1 1 359 . 11 1 1 A 31 31 SER CB C 73 63.303 65.299 -1.996 1 1 360 . 11 1 1 A 31 31 SER N N 73 115.080 113.429 1.651 1 1 361 . 11 1 1 A 32 32 MET H H 74 8.065 8.816 -0.751 1 1 362 . 11 1 1 A 32 32 MET HA H 74 5.573 5.395 0.178 1 1 370 . 11 1 1 A 32 32 MET C C 74 174.974 175.646 -0.672 1 1 371 . 11 1 1 A 32 32 MET CA C 74 54.397 54.206 0.191 1 1 372 . 11 1 1 A 32 32 MET CB C 74 37.579 34.202 3.377 1 1 375 . 11 1 1 A 32 32 MET N N 74 121.780 126.573 -4.793 1 1 376 . 11 1 1 A 33 33 PHE H H 75 8.900 9.264 -0.364 1 1 377 . 11 1 1 A 33 33 PHE HA H 75 5.190 4.825 0.365 1 1 384 . 11 1 1 A 33 33 PHE C C 75 175.228 174.501 0.727 1 1 385 . 11 1 1 A 33 33 PHE CA C 75 56.797 57.979 -1.182 1 1 386 . 11 1 1 A 33 33 PHE CB C 75 44.141 41.022 3.119 1 1 387 . 11 1 1 A 33 33 PHE N N 75 118.800 123.048 -4.248 1 1 388 . 11 1 1 A 34 34 ILE H H 76 8.830 8.483 0.347 1 1 389 . 11 1 1 A 34 34 ILE HA H 76 4.851 4.235 0.616 1 1 399 . 11 1 1 A 34 34 ILE C C 76 177.606 178.381 -0.775 1 1 400 . 11 1 1 A 34 34 ILE CA C 76 59.610 61.520 -1.910 1 1 401 . 11 1 1 A 34 34 ILE CB C 76 37.990 38.172 -0.182 1 1 405 . 11 1 1 A 34 34 ILE N N 76 121.330 128.174 -6.844 1 1 406 . 11 1 1 A 35 35 GLY H H 77 9.177 8.670 0.507 1 1 407 . 11 1 1 A 35 35 GLY HA2 H 77 4.139 3.815 0.324 1 1 408 . 11 1 1 A 35 35 GLY HA3 H 77 3.742 3.836 -0.094 1 1 409 . 11 1 1 A 35 35 GLY C C 77 174.757 174.661 0.096 1 1 410 . 11 1 1 A 35 35 GLY CA C 77 47.422 47.312 0.110 1 1 411 . 11 1 1 A 35 35 GLY N N 77 118.894 113.805 5.089 1 1 412 . 11 1 1 A 36 36 ASN H H 78 9.170 8.005 1.165 1 1 413 . 11 1 1 A 36 36 ASN HA H 78 4.846 5.045 -0.199 1 1 416 . 11 1 1 A 36 36 ASN C C 78 174.867 173.339 1.528 1 1 417 . 11 1 1 A 36 36 ASN CA C 78 52.578 52.371 0.207 1 1 418 . 11 1 1 A 36 36 ASN CB C 78 38.985 39.222 -0.237 1 1 419 . 11 1 1 A 36 36 ASN N N 78 125.494 116.240 9.254 1 1 420 . 11 1 1 A 37 37 ASP H H 79 8.590 7.676 0.914 1 1 421 . 11 1 1 A 37 37 ASP HA H 79 5.330 4.880 0.450 1 1 424 . 11 1 1 A 37 37 ASP C C 79 173.009 173.360 -0.351 1 1 425 . 11 1 1 A 37 37 ASP CA C 79 51.172 52.364 -1.192 1 1 426 . 11 1 1 A 37 37 ASP CB C 79 39.922 41.313 -1.391 1 1 427 . 11 1 1 A 37 37 ASP N N 79 121.409 120.258 1.151 1 1 428 . 11 1 1 A 38 38 PRO HA H 80 4.320 4.428 -0.108 1 1 435 . 11 1 1 A 38 38 PRO C C 80 176.862 176.138 0.724 1 1 436 . 11 1 1 A 38 38 PRO CA C 80 62.422 62.285 0.137 1 1 437 . 11 1 1 A 38 38 PRO CB C 80 32.890 31.675 1.215 1 1 440 . 11 1 1 A 39 39 VAL H H 81 8.001 7.959 0.042 1 1 441 . 11 1 1 A 39 39 VAL HA H 81 4.522 4.860 -0.338 1 1 449 . 11 1 1 A 39 39 VAL C C 81 173.912 173.563 0.349 1 1 450 . 11 1 1 A 39 39 VAL CA C 81 59.141 59.362 -0.221 1 1 451 . 11 1 1 A 39 39 VAL CB C 81 36.172 36.377 -0.205 1 1 454 . 11 1 1 A 39 39 VAL N N 81 115.450 116.609 -1.159 1 1 455 . 11 1 1 A 40 40 THR H H 82 7.672 8.328 -0.656 1 1 456 . 11 1 1 A 40 40 THR HA H 82 4.746 4.852 -0.106 1 1 461 . 11 1 1 A 40 40 THR C C 82 175.692 174.956 0.736 1 1 462 . 11 1 1 A 40 40 THR CA C 82 59.121 59.187 -0.066 1 1 463 . 11 1 1 A 40 40 THR CB C 82 72.735 71.634 1.101 1 1 465 . 11 1 1 A 40 40 THR N N 82 110.320 112.804 -2.484 1 1 466 . 11 1 1 A 41 41 ASP H H 83 9.370 9.065 0.305 1 1 467 . 11 1 1 A 41 41 ASP HA H 83 4.314 4.496 -0.182 1 1 470 . 11 1 1 A 41 41 ASP C C 83 176.943 177.735 -0.792 1 1 471 . 11 1 1 A 41 41 ASP CA C 83 56.797 56.040 0.757 1 1 472 . 11 1 1 A 41 41 ASP CB C 83 38.047 40.927 -2.880 1 1 473 . 11 1 1 A 41 41 ASP N N 83 118.710 122.750 -4.040 1 1 474 . 11 1 1 A 42 42 GLU H H 84 8.228 8.098 0.130 1 1 475 . 11 1 1 A 42 42 GLU HA H 84 4.336 4.405 -0.069 1 1 480 . 11 1 1 A 42 42 GLU C C 84 177.827 177.054 0.773 1 1 481 . 11 1 1 A 42 42 GLU CA C 84 58.204 58.268 -0.064 1 1 482 . 11 1 1 A 42 42 GLU CB C 84 29.141 30.439 -1.298 1 1 484 . 11 1 1 A 42 42 GLU N N 84 115.213 118.643 -3.430 1 1 485 . 11 1 1 A 43 43 THR H H 85 7.510 7.851 -0.341 1 1 486 . 11 1 1 A 43 43 THR HA H 85 4.664 4.660 0.004 1 1 491 . 11 1 1 A 43 43 THR C C 85 175.799 175.539 0.260 1 1 492 . 11 1 1 A 43 43 THR CA C 85 61.395 60.867 0.528 1 1 493 . 11 1 1 A 43 43 THR CB C 85 70.391 69.405 0.986 1 1 495 . 11 1 1 A 43 43 THR N N 85 108.315 114.073 -5.758 1 1 496 . 11 1 1 A 44 44 MET H H 86 7.900 8.389 -0.489 1 1 497 . 11 1 1 A 44 44 MET HA H 86 3.820 4.261 -0.441 1 1 505 . 11 1 1 A 44 44 MET C C 86 176.605 178.914 -2.309 1 1 506 . 11 1 1 A 44 44 MET CA C 86 60.547 58.540 2.007 1 1 507 . 11 1 1 A 44 44 MET CB C 86 32.422 32.433 -0.011 1 1 510 . 11 1 1 A 44 44 MET N N 86 121.500 119.881 1.619 1 1 511 . 11 1 1 A 45 45 ILE H H 87 8.430 7.950 0.480 1 1 512 . 11 1 1 A 45 45 ILE HA H 87 3.686 3.764 -0.078 1 1 522 . 11 1 1 A 45 45 ILE C C 87 177.773 177.964 -0.191 1 1 523 . 11 1 1 A 45 45 ILE CA C 87 62.934 64.907 -1.973 1 1 524 . 11 1 1 A 45 45 ILE CB C 87 34.766 37.712 -2.946 1 1 528 . 11 1 1 A 45 45 ILE N N 87 117.970 121.629 -3.659 1 1 529 . 11 1 1 A 46 46 THR H H 88 8.070 8.199 -0.129 1 1 530 . 11 1 1 A 46 46 THR HA H 88 3.953 4.058 -0.105 1 1 535 . 11 1 1 A 46 46 THR C C 88 177.011 177.097 -0.086 1 1 536 . 11 1 1 A 46 46 THR CA C 88 66.640 65.506 1.134 1 1 537 . 11 1 1 A 46 46 THR CB C 88 68.000 67.950 0.050 1 1 539 . 11 1 1 A 46 46 THR N N 88 116.920 112.588 4.332 1 1 540 . 11 1 1 A 47 47 ALA H H 89 7.710 8.029 -0.319 1 1 541 . 11 1 1 A 47 47 ALA HA H 89 4.240 4.228 0.012 1 1 545 . 11 1 1 A 47 47 ALA C C 89 174.356 179.873 -5.517 1 1 546 . 11 1 1 A 47 47 ALA CA C 89 55.094 55.115 -0.021 1 1 547 . 11 1 1 A 47 47 ALA CB C 89 18.828 18.011 0.817 1 1 548 . 11 1 1 A 47 47 ALA N N 89 123.490 125.026 -1.536 1 1 549 . 11 1 1 A 48 48 LEU H H 90 8.570 8.260 0.310 1 1 550 . 11 1 1 A 48 48 LEU HA H 90 3.445 3.961 -0.516 1 1 560 . 11 1 1 A 48 48 LEU C C 90 178.088 179.246 -1.158 1 1 561 . 11 1 1 A 48 48 LEU CA C 90 67.110 58.248 8.862 1 1 562 . 11 1 1 A 48 48 LEU CB C 90 31.420 41.618 -10.198 1 1 566 . 11 1 1 A 48 48 LEU N N 90 119.800 118.542 1.258 1 1 567 . 11 1 1 A 49 49 ASN H H 91 8.979 8.462 0.517 1 1 568 . 11 1 1 A 49 49 ASN HA H 91 4.494 4.533 -0.039 1 1 571 . 11 1 1 A 49 49 ASN C C 91 178.227 178.021 0.206 1 1 572 . 11 1 1 A 49 49 ASN CA C 91 54.397 56.169 -1.772 1 1 573 . 11 1 1 A 49 49 ASN CB C 91 37.578 37.940 -0.362 1 1 574 . 11 1 1 A 49 49 ASN N N 91 117.500 117.849 -0.349 1 1 575 . 11 1 1 A 50 50 ALA H H 92 7.710 7.680 0.030 1 1 576 . 11 1 1 A 50 50 ALA HA H 92 4.232 4.048 0.184 1 1 580 . 11 1 1 A 50 50 ALA C C 92 180.155 180.197 -0.042 1 1 581 . 11 1 1 A 50 50 ALA CA C 92 54.886 55.219 -0.333 1 1 582 . 11 1 1 A 50 50 ALA CB C 92 17.962 18.593 -0.631 1 1 583 . 11 1 1 A 50 50 ALA N N 92 120.900 123.334 -2.434 1 1 584 . 11 1 1 A 51 51 LEU H H 93 7.670 8.154 -0.484 1 1 585 . 11 1 1 A 51 51 LEU HA H 93 4.340 3.998 0.342 1 1 595 . 11 1 1 A 51 51 LEU C C 93 179.407 179.277 0.130 1 1 596 . 11 1 1 A 51 51 LEU CA C 93 56.829 57.872 -1.043 1 1 597 . 11 1 1 A 51 51 LEU CB C 93 42.734 42.458 0.276 1 1 601 . 11 1 1 A 51 51 LEU N N 93 117.980 117.813 0.167 1 1 602 . 11 1 1 A 52 52 THR H H 94 8.530 8.292 0.238 1 1 603 . 11 1 1 A 52 52 THR HA H 94 4.437 4.279 0.158 1 1 608 . 11 1 1 A 52 52 THR C C 94 177.112 174.963 2.149 1 1 609 . 11 1 1 A 52 52 THR CA C 94 61.485 62.567 -1.082 1 1 610 . 11 1 1 A 52 52 THR CB C 94 70.860 69.803 1.057 1 1 612 . 11 1 1 A 52 52 THR N N 94 107.010 108.444 -1.434 1 1 613 . 11 1 1 A 53 53 GLU H H 95 8.001 8.326 -0.325 1 1 614 . 11 1 1 A 53 53 GLU HA H 95 4.062 3.926 0.136 1 1 619 . 11 1 1 A 53 53 GLU C C 95 176.199 175.899 0.300 1 1 620 . 11 1 1 A 53 53 GLU CA C 95 56.797 57.524 -0.727 1 1 621 . 11 1 1 A 53 53 GLU CB C 95 26.346 28.376 -2.030 1 1 623 . 11 1 1 A 53 53 GLU N N 95 117.560 121.223 -3.663 1 1 624 . 11 1 1 A 54 54 GLY H H 96 8.349 8.576 -0.227 1 1 625 . 11 1 1 A 54 54 GLY HA2 H 96 4.120 3.849 0.271 1 1 626 . 11 1 1 A 54 54 GLY HA3 H 96 3.520 3.857 -0.337 1 1 627 . 11 1 1 A 54 54 GLY C C 96 174.264 173.997 0.267 1 1 628 . 11 1 1 A 54 54 GLY CA C 96 44.600 45.899 -1.299 1 1 629 . 11 1 1 A 54 54 GLY N N 96 105.347 104.967 0.380 1 1 630 . 11 1 1 A 55 55 LYS H H 97 7.400 7.596 -0.196 1 1 631 . 11 1 1 A 55 55 LYS HA H 97 4.386 4.444 -0.058 1 1 640 . 11 1 1 A 55 55 LYS C C 97 177.395 176.014 1.381 1 1 641 . 11 1 1 A 55 55 LYS CA C 97 56.797 55.292 1.505 1 1 642 . 11 1 1 A 55 55 LYS CB C 97 30.522 33.214 -2.692 1 1 646 . 11 1 1 A 55 55 LYS N N 97 120.080 121.192 -1.112 1 1 647 . 11 1 1 A 56 56 LYS H H 98 8.510 8.427 0.083 1 1 648 . 11 1 1 A 56 56 LYS HA H 98 3.940 4.373 -0.433 1 1 657 . 11 1 1 A 56 56 LYS C C 98 176.420 178.366 -1.946 1 1 658 . 11 1 1 A 56 56 LYS CA C 98 56.741 58.034 -1.293 1 1 659 . 11 1 1 A 56 56 LYS CB C 98 30.079 33.263 -3.184 1 1 663 . 11 1 1 A 56 56 LYS N N 98 126.202 122.729 3.473 1 1 664 . 11 1 1 A 57 57 ASP H H 99 8.510 8.106 0.404 1 1 665 . 11 1 1 A 57 57 ASP HA H 99 4.570 4.397 0.173 1 1 668 . 11 1 1 A 57 57 ASP C C 99 174.777 177.527 -2.750 1 1 669 . 11 1 1 A 57 57 ASP CA C 99 52.991 57.458 -4.467 1 1 670 . 11 1 1 A 57 57 ASP CB C 99 38.516 40.644 -2.128 1 1 671 . 11 1 1 A 57 57 ASP N N 99 116.900 118.968 -2.068 1 1 672 . 11 1 1 A 58 58 THR H H 100 7.400 7.610 -0.210 1 1 673 . 11 1 1 A 58 58 THR HA H 100 3.971 4.297 -0.326 1 1 678 . 11 1 1 A 58 58 THR C C 100 172.742 174.404 -1.662 1 1 679 . 11 1 1 A 58 58 THR CA C 100 63.360 63.517 -0.157 1 1 680 . 11 1 1 A 58 58 THR CB C 100 70.391 69.666 0.725 1 1 682 . 11 1 1 A 58 58 THR N N 100 117.350 115.853 1.497 1 1 683 . 11 1 1 A 59 59 THR H H 101 8.414 8.667 -0.253 1 1 684 . 11 1 1 A 59 59 THR HA H 101 4.174 4.750 -0.576 1 1 689 . 11 1 1 A 59 59 THR C C 101 172.505 174.036 -1.531 1 1 690 . 11 1 1 A 59 59 THR CA C 101 63.829 63.335 0.494 1 1 691 . 11 1 1 A 59 59 THR CB C 101 69.454 68.876 0.578 1 1 693 . 11 1 1 A 59 59 THR N N 101 123.260 121.171 2.089 1 1 694 . 11 1 1 A 60 60 ILE H H 102 8.190 8.770 -0.580 1 1 695 . 11 1 1 A 60 60 ILE HA H 102 4.399 5.080 -0.681 1 1 705 . 11 1 1 A 60 60 ILE C C 102 175.119 175.151 -0.032 1 1 706 . 11 1 1 A 60 60 ILE CA C 102 58.204 60.149 -1.945 1 1 707 . 11 1 1 A 60 60 ILE CB C 102 38.047 40.346 -2.299 1 1 711 . 11 1 1 A 60 60 ILE N N 102 126.467 128.076 -1.609 1 1 712 . 11 1 1 A 61 61 PHE H H 103 8.900 8.775 0.125 1 1 713 . 11 1 1 A 61 61 PHE HA H 103 5.204 5.205 -0.001 1 1 720 . 11 1 1 A 61 61 PHE C C 103 174.877 174.921 -0.044 1 1 721 . 11 1 1 A 61 61 PHE CA C 103 57.266 56.529 0.737 1 1 722 . 11 1 1 A 61 61 PHE CB C 103 40.860 39.748 1.112 1 1 723 . 11 1 1 A 61 61 PHE N N 103 125.650 127.000 -1.350 1 1 724 . 11 1 1 A 62 62 PHE H H 104 9.110 8.956 0.154 1 1 725 . 11 1 1 A 62 62 PHE HA H 104 5.590 4.963 0.627 1 1 732 . 11 1 1 A 62 62 PHE C C 104 174.407 174.023 0.384 1 1 733 . 11 1 1 A 62 62 PHE CA C 104 54.922 56.894 -1.972 1 1 734 . 11 1 1 A 62 62 PHE CB C 104 41.300 40.192 1.108 1 1 735 . 11 1 1 A 62 62 PHE N N 104 123.447 124.398 -0.951 1 1 736 . 11 1 1 A 63 63 ARG H H 105 9.020 9.199 -0.179 1 1 737 . 11 1 1 A 63 63 ARG HA H 105 4.830 4.875 -0.045 1 1 744 . 11 1 1 A 63 63 ARG C C 105 173.862 174.531 -0.669 1 1 745 . 11 1 1 A 63 63 ARG CA C 105 54.453 55.184 -0.731 1 1 746 . 11 1 1 A 63 63 ARG CB C 105 32.422 31.715 0.707 1 1 749 . 11 1 1 A 63 63 ARG N N 105 126.020 128.796 -2.776 1 1 750 . 11 1 1 A 64 64 ALA H H 106 8.640 8.809 -0.169 1 1 751 . 11 1 1 A 64 64 ALA HA H 106 5.223 5.039 0.184 1 1 755 . 11 1 1 A 64 64 ALA C C 106 176.565 176.941 -0.376 1 1 756 . 11 1 1 A 64 64 ALA CA C 106 50.235 50.247 -0.012 1 1 757 . 11 1 1 A 64 64 ALA CB C 106 22.110 20.582 1.528 1 1 758 . 11 1 1 A 64 64 ALA N N 106 126.540 129.820 -3.280 1 1 759 . 11 1 1 A 65 65 ASP H H 107 7.900 8.503 -0.603 1 1 760 . 11 1 1 A 65 65 ASP HA H 107 4.685 4.642 0.043 1 1 763 . 11 1 1 A 65 65 ASP C C 107 176.987 177.546 -0.559 1 1 764 . 11 1 1 A 65 65 ASP CA C 107 54.453 54.129 0.324 1 1 765 . 11 1 1 A 65 65 ASP CB C 107 42.209 41.660 0.549 1 1 766 . 11 1 1 A 65 65 ASP N N 107 121.600 120.828 0.772 1 1 767 . 11 1 1 A 66 66 LYS H H 108 8.700 8.883 -0.183 1 1 768 . 11 1 1 A 66 66 LYS HA H 108 4.221 4.071 0.150 1 1 777 . 11 1 1 A 66 66 LYS C C 108 177.007 177.182 -0.175 1 1 778 . 11 1 1 A 66 66 LYS CA C 108 58.682 58.626 0.056 1 1 779 . 11 1 1 A 66 66 LYS CB C 108 32.422 31.972 0.450 1 1 783 . 11 1 1 A 66 66 LYS N N 108 120.740 122.135 -1.395 1 1 784 . 11 1 1 A 67 67 THR H H 109 8.035 7.570 0.465 1 1 785 . 11 1 1 A 67 67 THR HA H 109 4.270 4.249 0.021 1 1 790 . 11 1 1 A 67 67 THR C C 109 175.031 175.076 -0.045 1 1 791 . 11 1 1 A 67 67 THR CA C 109 62.422 62.837 -0.415 1 1 792 . 11 1 1 A 67 67 THR CB C 109 68.985 69.344 -0.359 1 1 794 . 11 1 1 A 67 67 THR N N 109 108.086 109.763 -1.677 1 1 795 . 11 1 1 A 68 68 VAL H H 110 7.470 7.536 -0.066 1 1 796 . 11 1 1 A 68 68 VAL HA H 110 3.960 3.959 0.001 1 1 804 . 11 1 1 A 68 68 VAL C C 110 175.691 175.023 0.668 1 1 805 . 11 1 1 A 68 68 VAL CA C 110 63.360 63.000 0.360 1 1 806 . 11 1 1 A 68 68 VAL CB C 110 32.422 31.911 0.511 1 1 809 . 11 1 1 A 68 68 VAL N N 110 123.270 124.055 -0.785 1 1 810 . 11 1 1 A 69 69 ASP H H 111 8.710 8.248 0.462 1 1 811 . 11 1 1 A 69 69 ASP HA H 111 4.645 5.085 -0.440 1 1 814 . 11 1 1 A 69 69 ASP C C 111 176.150 176.589 -0.439 1 1 815 . 11 1 1 A 69 69 ASP CA C 111 53.989 52.539 1.450 1 1 816 . 11 1 1 A 69 69 ASP CB C 111 41.328 43.879 -2.551 1 1 817 . 11 1 1 A 69 69 ASP N N 111 126.170 126.695 -0.525 1 1 818 . 11 1 1 A 70 70 TYR H H 112 8.840 9.198 -0.358 1 1 819 . 11 1 1 A 70 70 TYR HA H 112 4.056 4.181 -0.125 1 1 826 . 11 1 1 A 70 70 TYR C C 112 177.075 177.365 -0.290 1 1 827 . 11 1 1 A 70 70 TYR CA C 112 61.890 62.008 -0.118 1 1 828 . 11 1 1 A 70 70 TYR CB C 112 38.980 38.919 0.061 1 1 829 . 11 1 1 A 70 70 TYR N N 112 123.360 125.987 -2.627 1 1 830 . 11 1 1 A 71 71 GLU H H 113 8.550 8.305 0.245 1 1 831 . 11 1 1 A 71 71 GLU HA H 113 3.904 3.817 0.087 1 1 836 . 11 1 1 A 71 71 GLU C C 113 179.338 178.514 0.824 1 1 837 . 11 1 1 A 71 71 GLU CA C 113 59.610 58.989 0.621 1 1 838 . 11 1 1 A 71 71 GLU CB C 113 27.765 29.527 -1.762 1 1 840 . 11 1 1 A 71 71 GLU N N 113 116.730 118.013 -1.283 1 1 841 . 11 1 1 A 72 72 THR H H 114 7.780 7.730 0.050 1 1 842 . 11 1 1 A 72 72 THR HA H 114 4.320 4.062 0.258 1 1 847 . 11 1 1 A 72 72 THR C C 114 175.987 176.720 -0.733 1 1 848 . 11 1 1 A 72 72 THR CA C 114 67.579 65.232 2.347 1 1 849 . 11 1 1 A 72 72 THR CB C 114 66.640 68.626 -1.986 1 1 851 . 11 1 1 A 72 72 THR N N 114 117.340 112.817 4.523 1 1 852 . 11 1 1 A 73 73 LEU H H 115 7.570 7.776 -0.206 1 1 853 . 11 1 1 A 73 73 LEU HA H 115 3.838 4.020 -0.182 1 1 863 . 11 1 1 A 73 73 LEU C C 115 178.670 178.746 -0.076 1 1 864 . 11 1 1 A 73 73 LEU CA C 115 58.203 58.074 0.129 1 1 865 . 11 1 1 A 73 73 LEU CB C 115 40.860 41.647 -0.787 1 1 868 . 11 1 1 A 73 73 LEU N N 115 120.510 124.289 -3.779 1 1 869 . 11 1 1 A 74 74 MET H H 116 8.280 7.637 0.643 1 1 870 . 11 1 1 A 74 74 MET HA H 116 4.100 4.159 -0.059 1 1 878 . 11 1 1 A 74 74 MET C C 116 178.503 178.732 -0.229 1 1 879 . 11 1 1 A 74 74 MET CA C 116 57.210 58.670 -1.460 1 1 880 . 11 1 1 A 74 74 MET CB C 116 32.400 33.062 -0.662 1 1 883 . 11 1 1 A 74 74 MET N N 116 116.240 117.506 -1.266 1 1 884 . 11 1 1 A 75 75 LYS H H 117 7.755 7.529 0.226 1 1 885 . 11 1 1 A 75 75 LYS HA H 117 4.146 3.999 0.147 1 1 894 . 11 1 1 A 75 75 LYS C C 117 173.559 179.283 -5.724 1 1 895 . 11 1 1 A 75 75 LYS CA C 117 59.610 59.283 0.327 1 1 896 . 11 1 1 A 75 75 LYS CB C 117 31.495 32.626 -1.131 1 1 900 . 11 1 1 A 75 75 LYS N N 117 120.230 118.849 1.381 1 1 901 . 11 1 1 A 76 76 VAL H H 118 7.880 7.934 -0.054 1 1 902 . 11 1 1 A 76 76 VAL HA H 118 3.598 3.888 -0.290 1 1 910 . 11 1 1 A 76 76 VAL C C 118 178.205 178.052 0.153 1 1 911 . 11 1 1 A 76 76 VAL CA C 118 66.641 64.973 1.668 1 1 912 . 11 1 1 A 76 76 VAL CB C 118 31.485 31.487 -0.002 1 1 915 . 11 1 1 A 76 76 VAL N N 118 120.500 115.829 4.671 1 1 916 . 11 1 1 A 77 77 MET H H 119 8.262 8.034 0.228 1 1 917 . 11 1 1 A 77 77 MET HA H 119 3.904 4.051 -0.147 1 1 925 . 11 1 1 A 77 77 MET C C 119 178.200 177.727 0.473 1 1 926 . 11 1 1 A 77 77 MET CA C 119 59.610 58.336 1.274 1 1 927 . 11 1 1 A 77 77 MET CB C 119 32.422 31.732 0.690 1 1 930 . 11 1 1 A 77 77 MET N N 119 118.320 120.255 -1.935 1 1 931 . 11 1 1 A 78 78 ASP H H 120 8.720 8.045 0.675 1 1 932 . 11 1 1 A 78 78 ASP HA H 120 4.400 4.285 0.115 1 1 935 . 11 1 1 A 78 78 ASP C C 120 178.216 178.746 -0.530 1 1 936 . 11 1 1 A 78 78 ASP CA C 120 56.797 57.362 -0.565 1 1 937 . 11 1 1 A 78 78 ASP CB C 120 38.980 40.636 -1.656 1 1 938 . 11 1 1 A 78 78 ASP N N 120 117.800 119.495 -1.695 1 1 939 . 11 1 1 A 79 79 THR H H 121 8.040 7.759 0.281 1 1 940 . 11 1 1 A 79 79 THR HA H 121 3.939 3.937 0.002 1 1 945 . 11 1 1 A 79 79 THR C C 121 176.582 177.330 -0.748 1 1 946 . 11 1 1 A 79 79 THR CA C 121 66.641 67.442 -0.801 1 1 947 . 11 1 1 A 79 79 THR CB C 121 68.516 68.918 -0.402 1 1 949 . 11 1 1 A 79 79 THR N N 121 118.470 116.645 1.825 1 1 950 . 11 1 1 A 80 80 LEU H H 122 7.931 7.938 -0.007 1 1 951 . 11 1 1 A 80 80 LEU HA H 122 4.136 4.182 -0.046 1 1 961 . 11 1 1 A 80 80 LEU C C 122 178.936 179.119 -0.183 1 1 962 . 11 1 1 A 80 80 LEU CA C 122 58.672 58.004 0.668 1 1 963 . 11 1 1 A 80 80 LEU CB C 122 41.328 41.122 0.206 1 1 967 . 11 1 1 A 80 80 LEU N N 122 121.676 118.082 3.594 1 1 968 . 11 1 1 A 81 81 HIS H H 123 8.825 7.916 0.909 1 1 969 . 11 1 1 A 81 81 HIS HA H 123 4.455 4.243 0.212 1 1 974 . 11 1 1 A 81 81 HIS C C 123 179.780 178.363 1.417 1 1 975 . 11 1 1 A 81 81 HIS CA C 123 57.732 59.782 -2.050 1 1 976 . 11 1 1 A 81 81 HIS CB C 123 28.672 30.100 -1.428 1 1 977 . 11 1 1 A 81 81 HIS N N 123 117.910 118.602 -0.692 1 1 978 . 11 1 1 A 82 82 GLN H H 124 8.740 8.285 0.455 1 1 979 . 11 1 1 A 82 82 GLN HA H 124 4.092 4.089 0.003 1 1 984 . 11 1 1 A 82 82 GLN C C 124 177.091 176.864 0.227 1 1 985 . 11 1 1 A 82 82 GLN CA C 124 58.672 57.885 0.787 1 1 986 . 11 1 1 A 82 82 GLN CB C 124 28.204 28.084 0.120 1 1 988 . 11 1 1 A 82 82 GLN N N 124 120.420 117.124 3.296 1 1 989 . 11 1 1 A 83 83 ALA H H 125 7.330 7.455 -0.125 1 1 990 . 11 1 1 A 83 83 ALA HA H 125 4.495 4.332 0.163 1 1 994 . 11 1 1 A 83 83 ALA C C 125 176.371 177.899 -1.528 1 1 995 . 11 1 1 A 83 83 ALA CA C 125 52.110 51.654 0.456 1 1 996 . 11 1 1 A 83 83 ALA CB C 125 19.756 18.655 1.101 1 1 997 . 11 1 1 A 83 83 ALA N N 125 119.130 120.736 -1.606 1 1 998 . 11 1 1 A 84 84 GLY H H 126 7.780 8.116 -0.336 1 1 999 . 11 1 1 A 84 84 GLY HA2 H 126 4.111 3.819 0.292 1 1 1000 . 11 1 1 A 84 84 GLY HA3 H 126 3.505 3.903 -0.398 1 1 1001 . 11 1 1 A 84 84 GLY C C 126 173.562 173.802 -0.240 1 1 1002 . 11 1 1 A 84 84 GLY CA C 126 44.610 45.449 -0.839 1 1 1003 . 11 1 1 A 84 84 GLY N N 126 104.120 107.568 -3.448 1 1 1004 . 11 1 1 A 85 85 TYR H H 127 7.910 8.418 -0.508 1 1 1005 . 11 1 1 A 85 85 TYR HA H 127 4.551 4.207 0.344 1 1 1012 . 11 1 1 A 85 85 TYR C C 127 177.192 175.761 1.431 1 1 1013 . 11 1 1 A 85 85 TYR CA C 127 59.610 58.032 1.578 1 1 1014 . 11 1 1 A 85 85 TYR CB C 127 37.110 36.555 0.555 1 1 1015 . 11 1 1 A 85 85 TYR N N 127 120.310 120.902 -0.592 1 1 1016 . 11 1 1 A 86 86 LEU H H 128 7.835 8.369 -0.534 1 1 1017 . 11 1 1 A 86 86 LEU HA H 128 4.357 4.572 -0.215 1 1 1027 . 11 1 1 A 86 86 LEU C C 128 178.503 176.277 2.226 1 1 1028 . 11 1 1 A 86 86 LEU CA C 128 54.456 54.234 0.222 1 1 1029 . 11 1 1 A 86 86 LEU CB C 128 43.203 42.691 0.512 1 1 1033 . 11 1 1 A 86 86 LEU N N 128 120.100 121.551 -1.451 1 1 1034 . 11 1 1 A 87 87 LYS H H 129 9.330 7.824 1.506 1 1 1035 . 11 1 1 A 87 87 LYS HA H 129 4.512 4.606 -0.094 1 1 1044 . 11 1 1 A 87 87 LYS C C 129 173.251 174.848 -1.597 1 1 1045 . 11 1 1 A 87 87 LYS CA C 129 54.922 55.467 -0.545 1 1 1046 . 11 1 1 A 87 87 LYS CB C 129 31.000 33.410 -2.410 1 1 1050 . 11 1 1 A 87 87 LYS N N 129 125.180 118.552 6.628 1 1 1051 . 11 1 1 A 88 88 ILE H H 130 7.589 8.387 -0.798 1 1 1052 . 11 1 1 A 88 88 ILE HA H 130 5.015 4.843 0.172 1 1 1062 . 11 1 1 A 88 88 ILE C C 130 176.481 175.789 0.692 1 1 1063 . 11 1 1 A 88 88 ILE CA C 130 58.672 59.748 -1.076 1 1 1064 . 11 1 1 A 88 88 ILE CB C 130 40.391 38.949 1.442 1 1 1068 . 11 1 1 A 88 88 ILE N N 130 122.487 125.478 -2.991 1 1 1069 . 11 1 1 A 89 89 GLY H H 131 8.960 8.886 0.074 1 1 1070 . 11 1 1 A 89 89 GLY HA2 H 131 4.543 3.319 1.224 1 1 1071 . 11 1 1 A 89 89 GLY HA3 H 131 3.488 3.784 -0.296 1 1 1072 . 11 1 1 A 89 89 GLY C C 131 171.936 172.105 -0.169 1 1 1073 . 11 1 1 A 89 89 GLY CA C 131 44.610 45.004 -0.394 1 1 1074 . 11 1 1 A 89 89 GLY N N 131 115.300 115.777 -0.477 1 1 1075 . 11 1 1 A 90 90 LEU H H 132 8.610 9.023 -0.413 1 1 1076 . 11 1 1 A 90 90 LEU HA H 132 5.061 4.737 0.324 1 1 1086 . 11 1 1 A 90 90 LEU C C 132 177.246 176.606 0.640 1 1 1087 . 11 1 1 A 90 90 LEU CA C 132 54.453 53.441 1.012 1 1 1088 . 11 1 1 A 90 90 LEU CB C 132 42.735 41.598 1.137 1 1 1092 . 11 1 1 A 90 90 LEU N N 132 124.560 124.833 -0.273 1 1 1093 . 11 1 1 A 91 91 VAL H H 133 8.630 8.539 0.091 1 1 1094 . 11 1 1 A 91 91 VAL HA H 133 4.299 3.867 0.432 1 1 1102 . 11 1 1 A 91 91 VAL C C 133 176.296 177.130 -0.834 1 1 1103 . 11 1 1 A 91 91 VAL CA C 133 61.953 63.632 -1.679 1 1 1104 . 11 1 1 A 91 91 VAL CB C 133 33.360 31.762 1.598 1 1 1107 . 11 1 1 A 91 91 VAL N N 133 123.280 125.892 -2.612 1 1 1108 . 11 1 1 A 92 92 GLY H H 134 8.620 9.249 -0.629 1 1 1109 . 11 1 1 A 92 92 GLY HA2 H 134 4.154 3.941 0.213 1 1 1110 . 11 1 1 A 92 92 GLY HA3 H 134 4.007 3.943 0.064 1 1 1111 . 11 1 1 A 92 92 GLY C C 134 174.157 174.760 -0.603 1 1 1112 . 11 1 1 A 92 92 GLY CA C 134 45.097 46.948 -1.851 1 1 1113 . 11 1 1 A 92 92 GLY N N 134 112.500 116.475 -3.975 1 1 1114 . 11 1 1 A 93 93 GLU H H 135 8.278 8.164 0.114 1 1 1115 . 11 1 1 A 93 93 GLU HA H 135 4.387 4.483 -0.096 1 1 1120 . 11 1 1 A 93 93 GLU C C 135 176.500 176.009 0.491 1 1 1121 . 11 1 1 A 93 93 GLU CA C 135 56.797 55.425 1.372 1 1 1122 . 11 1 1 A 93 93 GLU CB C 135 29.141 29.756 -0.615 1 1 1124 . 11 1 1 A 93 93 GLU N N 135 119.460 119.963 -0.503 1 1 1125 . 11 1 1 A 94 94 GLU H H 136 8.680 8.055 0.625 1 1 1126 . 11 1 1 A 94 94 GLU HA H 136 4.387 4.066 0.321 1 1 1131 . 11 1 1 A 94 94 GLU C C 136 176.970 176.254 0.716 1 1 1132 . 11 1 1 A 94 94 GLU CA C 136 56.797 57.015 -0.218 1 1 1133 . 11 1 1 A 94 94 GLU CB C 136 29.141 28.573 0.568 1 1 1135 . 11 1 1 A 94 94 GLU N N 136 121.740 120.211 1.529 1 1 1136 . 11 1 1 A 95 95 THR H H 137 8.221 8.344 -0.123 1 1 1137 . 11 1 1 A 95 95 THR HA H 137 4.228 4.470 -0.242 1 1 1142 . 11 1 1 A 95 95 THR C C 137 174.880 172.785 2.095 1 1 1143 . 11 1 1 A 95 95 THR CA C 137 62.422 60.511 1.911 1 1 1144 . 11 1 1 A 95 95 THR CB C 137 69.454 67.211 2.243 1 1 1146 . 11 1 1 A 95 95 THR N N 137 115.380 121.388 -6.008 1 1 1147 . 11 1 1 A 96 96 ALA H H 138 8.311 7.471 0.840 1 1 1148 . 11 1 1 A 96 96 ALA HA H 138 4.233 4.802 -0.569 1 1 1152 . 11 1 1 A 96 96 ALA C C 138 178.469 175.264 3.205 1 1 1153 . 11 1 1 A 96 96 ALA CA C 138 53.516 51.409 2.107 1 1 1154 . 11 1 1 A 96 96 ALA CB C 138 18.828 23.054 -4.226 1 1 1155 . 11 1 1 A 96 96 ALA N N 138 125.688 125.486 0.202 1 1 1156 . 11 1 1 A 97 97 LYS H H 139 8.210 8.557 -0.347 1 1 1157 . 11 1 1 A 97 97 LYS HA H 139 4.163 5.023 -0.860 1 1 1166 . 11 1 1 A 97 97 LYS C C 139 177.154 174.337 2.817 1 1 1167 . 11 1 1 A 97 97 LYS CA C 139 57.265 55.202 2.063 1 1 1168 . 11 1 1 A 97 97 LYS CB C 139 32.891 35.895 -3.004 1 1 1172 . 11 1 1 A 97 97 LYS N N 139 120.110 117.331 2.779 1 1 1173 . 11 1 1 A 98 98 ALA H H 140 8.170 9.032 -0.862 1 1 1174 . 11 1 1 A 98 98 ALA HA H 140 4.209 5.204 -0.995 1 1 1178 . 11 1 1 A 98 98 ALA C C 140 178.469 175.718 2.751 1 1 1179 . 11 1 1 A 98 98 ALA CA C 140 53.516 50.766 2.750 1 1 1180 . 11 1 1 A 98 98 ALA CB C 140 18.828 21.962 -3.134 1 1 1181 . 11 1 1 A 98 98 ALA N N 140 124.210 125.850 -1.640 1 1 1 . 12 1 1 A 2 2 ASP H H 44 8.930 8.398 0.532 1 1 2 . 12 1 1 A 2 2 ASP HA H 44 4.860 5.266 -0.406 1 1 5 . 12 1 1 A 2 2 ASP C C 44 175.278 175.233 0.045 1 1 6 . 12 1 1 A 2 2 ASP CA C 44 53.516 53.100 0.416 1 1 7 . 12 1 1 A 2 2 ASP CB C 44 39.397 44.259 -4.862 1 1 8 . 12 1 1 A 2 2 ASP N N 44 122.920 121.012 1.908 1 1 9 . 12 1 1 A 3 3 VAL H H 45 8.329 8.316 0.013 1 1 10 . 12 1 1 A 3 3 VAL HA H 45 4.120 4.443 -0.323 1 1 18 . 12 1 1 A 3 3 VAL C C 45 175.938 175.607 0.331 1 1 19 . 12 1 1 A 3 3 VAL CA C 45 62.422 60.558 1.864 1 1 20 . 12 1 1 A 3 3 VAL CB C 45 32.300 31.322 0.978 1 1 23 . 12 1 1 A 3 3 VAL N N 45 121.541 117.390 4.151 1 1 24 . 12 1 1 A 4 4 LYS H H 46 8.400 7.934 0.466 1 1 25 . 12 1 1 A 4 4 LYS HA H 46 4.387 4.267 0.120 1 1 34 . 12 1 1 A 4 4 LYS C C 46 176.333 176.061 0.272 1 1 35 . 12 1 1 A 4 4 LYS CA C 46 56.270 58.471 -2.201 1 1 36 . 12 1 1 A 4 4 LYS CB C 46 32.874 31.697 1.177 1 1 40 . 12 1 1 A 4 4 LYS N N 46 125.410 117.535 7.875 1 1 42 . 12 1 1 A 5 5 VAL H H 47 8.190 8.287 -0.097 1 1 43 . 12 1 1 A 5 5 VAL HA H 47 4.118 5.008 -0.890 1 1 51 . 12 1 1 A 5 5 VAL C C 47 175.567 174.446 1.121 1 1 52 . 12 1 1 A 5 5 VAL CA C 47 61.954 58.886 3.068 1 1 53 . 12 1 1 A 5 5 VAL CB C 47 32.443 35.967 -3.524 1 1 56 . 12 1 1 A 5 5 VAL N N 47 121.672 116.832 4.840 1 1 57 . 12 1 1 A 6 6 ASN H H 48 8.571 9.054 -0.483 1 1 58 . 12 1 1 A 6 6 ASN HA H 48 4.750 5.287 -0.537 1 1 61 . 12 1 1 A 6 6 ASN C C 48 174.566 174.138 0.428 1 1 62 . 12 1 1 A 6 6 ASN CA C 48 53.047 52.208 0.839 1 1 63 . 12 1 1 A 6 6 ASN CB C 48 38.901 39.730 -0.829 1 1 64 . 12 1 1 A 6 6 ASN N N 48 123.230 120.016 3.214 1 1 65 . 12 1 1 A 7 7 LEU H H 49 8.286 8.585 -0.299 1 1 66 . 12 1 1 A 7 7 LEU HA H 49 4.632 4.590 0.042 1 1 76 . 12 1 1 A 7 7 LEU C C 49 175.162 174.672 0.490 1 1 77 . 12 1 1 A 7 7 LEU CA C 49 53.047 52.821 0.226 1 1 78 . 12 1 1 A 7 7 LEU CB C 49 41.825 41.068 0.757 1 1 82 . 12 1 1 A 7 7 LEU N N 49 124.491 125.759 -1.268 1 1 83 . 12 1 1 A 8 8 PRO HA H 50 4.443 4.462 -0.019 1 1 90 . 12 1 1 A 8 8 PRO C C 50 176.734 176.887 -0.153 1 1 91 . 12 1 1 A 8 8 PRO CA C 50 62.903 62.396 0.507 1 1 92 . 12 1 1 A 8 8 PRO CB C 50 31.839 32.253 -0.414 1 1 95 . 12 1 1 A 9 9 ALA H H 51 8.424 8.228 0.196 1 1 96 . 12 1 1 A 9 9 ALA HA H 51 4.330 4.205 0.125 1 1 100 . 12 1 1 A 9 9 ALA C C 51 178.124 177.184 0.940 1 1 101 . 12 1 1 A 9 9 ALA CA C 51 52.578 52.684 -0.106 1 1 102 . 12 1 1 A 9 9 ALA CB C 51 19.297 18.609 0.688 1 1 103 . 12 1 1 A 9 9 ALA N N 51 124.364 125.521 -1.157 1 1 104 . 12 1 1 A 10 10 SER H H 52 8.380 8.795 -0.415 1 1 105 . 12 1 1 A 10 10 SER HA H 52 4.223 5.286 -1.063 1 1 108 . 12 1 1 A 10 10 SER C C 52 174.982 172.642 2.340 1 1 109 . 12 1 1 A 10 10 SER CA C 52 58.672 56.722 1.950 1 1 110 . 12 1 1 A 10 10 SER CB C 52 63.829 64.241 -0.412 1 1 111 . 12 1 1 A 10 10 SER N N 52 114.800 117.950 -3.150 1 1 112 . 12 1 1 A 11 11 THR H H 53 8.227 9.079 -0.852 1 1 113 . 12 1 1 A 11 11 THR HA H 53 4.478 5.276 -0.798 1 1 118 . 12 1 1 A 11 11 THR C C 53 174.612 173.037 1.575 1 1 119 . 12 1 1 A 11 11 THR CA C 53 61.922 59.945 1.977 1 1 120 . 12 1 1 A 11 11 THR CB C 53 69.922 71.279 -1.357 1 1 122 . 12 1 1 A 11 11 THR N N 53 115.236 122.161 -6.925 1 1 123 . 12 1 1 A 12 12 SER H H 54 8.330 8.594 -0.264 1 1 124 . 12 1 1 A 12 12 SER HA H 54 4.559 5.232 -0.673 1 1 127 . 12 1 1 A 12 12 SER C C 54 174.299 172.873 1.426 1 1 128 . 12 1 1 A 12 12 SER CA C 54 58.204 57.578 0.626 1 1 129 . 12 1 1 A 12 12 SER CB C 54 63.891 66.920 -3.029 1 1 130 . 12 1 1 A 12 12 SER N N 54 117.770 125.394 -7.624 1 1 131 . 12 1 1 A 13 13 THR H H 55 8.274 8.690 -0.416 1 1 132 . 12 1 1 A 13 13 THR HA H 55 4.624 4.918 -0.294 1 1 137 . 12 1 1 A 13 13 THR C C 55 170.400 171.696 -1.296 1 1 138 . 12 1 1 A 13 13 THR CA C 55 60.079 58.372 1.707 1 1 139 . 12 1 1 A 13 13 THR CB C 55 69.922 72.785 -2.863 1 1 141 . 12 1 1 A 13 13 THR N N 55 118.865 115.476 3.389 1 1 142 . 12 1 1 A 14 14 PRO HA H 56 4.458 4.592 -0.134 1 1 149 . 12 1 1 A 14 14 PRO C C 56 176.748 176.586 0.162 1 1 150 . 12 1 1 A 14 14 PRO CA C 56 63.076 62.390 0.686 1 1 151 . 12 1 1 A 14 14 PRO CB C 56 32.043 32.333 -0.290 1 1 154 . 12 1 1 A 15 15 GLN H H 57 8.547 8.517 0.030 1 1 155 . 12 1 1 A 15 15 GLN HA H 57 4.620 4.757 -0.137 1 1 160 . 12 1 1 A 15 15 GLN CA C 57 53.600 54.067 -0.467 1 1 161 . 12 1 1 A 15 15 GLN CB C 57 29.141 27.770 1.371 1 1 163 . 12 1 1 A 15 15 GLN N N 57 122.041 120.301 1.740 1 1 165 . 12 1 1 A 16 16 PRO HA H 58 4.458 4.691 -0.233 1 1 172 . 12 1 1 A 16 16 PRO C C 58 176.620 176.006 0.614 1 1 173 . 12 1 1 A 16 16 PRO CA C 58 62.872 62.736 0.136 1 1 174 . 12 1 1 A 16 16 PRO CB C 58 32.111 32.685 -0.574 1 1 177 . 12 1 1 A 17 17 ARG H H 59 8.511 8.466 0.045 1 1 178 . 12 1 1 A 17 17 ARG HA H 59 4.643 4.920 -0.277 1 1 185 . 12 1 1 A 17 17 ARG CA C 59 53.985 53.785 0.200 1 1 186 . 12 1 1 A 17 17 ARG CB C 59 30.195 31.105 -0.910 1 1 189 . 12 1 1 A 17 17 ARG N N 59 122.731 121.896 0.835 1 1 190 . 12 1 1 A 18 18 PRO HA H 60 4.458 4.629 -0.171 1 1 197 . 12 1 1 A 18 18 PRO C C 60 176.892 175.193 1.699 1 1 198 . 12 1 1 A 18 18 PRO CA C 60 62.940 62.474 0.466 1 1 199 . 12 1 1 A 18 18 PRO CB C 60 32.891 32.953 -0.062 1 1 202 . 12 1 1 A 19 19 GLU H H 61 8.480 8.514 -0.034 1 1 203 . 12 1 1 A 19 19 GLU HA H 61 4.391 4.876 -0.485 1 1 208 . 12 1 1 A 19 19 GLU C C 61 176.174 175.370 0.804 1 1 209 . 12 1 1 A 19 19 GLU CA C 61 54.922 55.533 -0.611 1 1 210 . 12 1 1 A 19 19 GLU CB C 61 29.141 31.153 -2.012 1 1 212 . 12 1 1 A 19 19 GLU N N 61 120.840 120.349 0.491 1 1 213 . 12 1 1 A 20 20 LYS H H 62 8.502 8.719 -0.217 1 1 214 . 12 1 1 A 20 20 LYS HA H 62 4.620 4.784 -0.164 1 1 223 . 12 1 1 A 20 20 LYS C C 62 171.420 173.986 -2.566 1 1 224 . 12 1 1 A 20 20 LYS CA C 62 54.827 53.165 1.662 1 1 225 . 12 1 1 A 20 20 LYS CB C 62 32.422 33.600 -1.178 1 1 229 . 12 1 1 A 20 20 LYS N N 62 125.117 124.409 0.708 1 1 230 . 12 1 1 A 21 21 PRO HA H 63 4.448 4.562 -0.114 1 1 237 . 12 1 1 A 21 21 PRO CA C 63 62.261 62.522 -0.261 1 1 238 . 12 1 1 A 21 21 PRO CB C 63 32.422 32.403 0.019 1 1 241 . 12 1 1 A 22 22 VAL H H 64 8.570 8.564 0.006 1 1 242 . 12 1 1 A 22 22 VAL HA H 64 4.097 4.459 -0.362 1 1 250 . 12 1 1 A 22 22 VAL C C 64 173.862 174.328 -0.466 1 1 251 . 12 1 1 A 22 22 VAL CA C 64 61.000 61.550 -0.550 1 1 252 . 12 1 1 A 22 22 VAL CB C 64 33.770 32.895 0.875 1 1 255 . 12 1 1 A 22 22 VAL N N 64 120.453 122.316 -1.863 1 1 256 . 12 1 1 A 23 23 TYR H H 65 8.600 9.117 -0.517 1 1 257 . 12 1 1 A 23 23 TYR HA H 65 5.207 5.413 -0.206 1 1 264 . 12 1 1 A 23 23 TYR C C 65 174.916 173.941 0.975 1 1 265 . 12 1 1 A 23 23 TYR CA C 65 57.210 56.089 1.121 1 1 266 . 12 1 1 A 23 23 TYR CB C 65 39.454 41.956 -2.502 1 1 267 . 12 1 1 A 23 23 TYR N N 65 124.580 128.889 -4.309 1 1 268 . 12 1 1 A 24 24 LEU H H 66 9.186 9.119 0.067 1 1 269 . 12 1 1 A 24 24 LEU HA H 66 5.261 5.262 -0.001 1 1 279 . 12 1 1 A 24 24 LEU C C 66 175.491 176.272 -0.781 1 1 280 . 12 1 1 A 24 24 LEU CA C 66 53.516 53.885 -0.369 1 1 281 . 12 1 1 A 24 24 LEU CB C 66 45.078 43.974 1.104 1 1 285 . 12 1 1 A 24 24 LEU N N 66 128.669 128.314 0.355 1 1 286 . 12 1 1 A 25 25 SER H H 67 9.300 8.996 0.304 1 1 287 . 12 1 1 A 25 25 SER HA H 67 5.637 5.417 0.220 1 1 290 . 12 1 1 A 25 25 SER C C 67 173.470 173.753 -0.283 1 1 291 . 12 1 1 A 25 25 SER CA C 67 56.784 57.784 -1.000 1 1 292 . 12 1 1 A 25 25 SER CB C 67 65.267 65.062 0.205 1 1 293 . 12 1 1 A 25 25 SER N N 67 120.290 121.666 -1.376 1 1 294 . 12 1 1 A 26 26 VAL H H 68 8.600 8.708 -0.108 1 1 295 . 12 1 1 A 26 26 VAL HA H 68 4.847 5.378 -0.531 1 1 303 . 12 1 1 A 26 26 VAL C C 68 175.205 174.199 1.006 1 1 304 . 12 1 1 A 26 26 VAL CA C 68 60.950 59.588 1.362 1 1 305 . 12 1 1 A 26 26 VAL CB C 68 33.770 34.733 -0.963 1 1 308 . 12 1 1 A 26 26 VAL N N 68 123.723 125.570 -1.847 1 1 309 . 12 1 1 A 27 27 LYS H H 69 8.760 8.891 -0.131 1 1 310 . 12 1 1 A 27 27 LYS HA H 69 4.630 4.910 -0.280 1 1 319 . 12 1 1 A 27 27 LYS C C 69 176.007 176.132 -0.125 1 1 320 . 12 1 1 A 27 27 LYS CA C 69 62.400 54.464 7.936 1 1 321 . 12 1 1 A 27 27 LYS CB C 69 33.820 35.883 -2.063 1 1 325 . 12 1 1 A 27 27 LYS N N 69 126.000 120.630 5.370 1 1 326 . 12 1 1 A 28 28 ALA H H 70 8.728 8.699 0.029 1 1 327 . 12 1 1 A 28 28 ALA HA H 70 4.018 3.914 0.104 1 1 331 . 12 1 1 A 28 28 ALA C C 70 177.852 178.347 -0.495 1 1 332 . 12 1 1 A 28 28 ALA CA C 70 53.985 54.264 -0.279 1 1 333 . 12 1 1 A 28 28 ALA CB C 70 19.297 17.863 1.434 1 1 334 . 12 1 1 A 28 28 ALA N N 70 124.480 121.652 2.828 1 1 335 . 12 1 1 A 29 29 ASP H H 71 8.256 8.773 -0.517 1 1 336 . 12 1 1 A 29 29 ASP HA H 71 4.497 4.420 0.077 1 1 339 . 12 1 1 A 29 29 ASP C C 71 176.455 176.343 0.112 1 1 340 . 12 1 1 A 29 29 ASP CA C 71 53.985 57.193 -3.208 1 1 341 . 12 1 1 A 29 29 ASP CB C 71 39.315 40.996 -1.681 1 1 342 . 12 1 1 A 29 29 ASP N N 71 118.722 118.287 0.435 1 1 343 . 12 1 1 A 30 30 ASN H H 72 8.380 7.653 0.727 1 1 344 . 12 1 1 A 30 30 ASN HA H 72 4.374 5.114 -0.740 1 1 349 . 12 1 1 A 30 30 ASN C C 72 174.641 173.303 1.338 1 1 350 . 12 1 1 A 30 30 ASN CA C 72 54.453 52.804 1.649 1 1 351 . 12 1 1 A 30 30 ASN CB C 72 37.579 39.852 -2.273 1 1 352 . 12 1 1 A 30 30 ASN N N 72 113.000 111.955 1.045 1 1 353 . 12 1 1 A 31 31 SER H H 73 7.710 8.468 -0.758 1 1 354 . 12 1 1 A 31 31 SER HA H 73 4.404 5.105 -0.701 1 1 357 . 12 1 1 A 31 31 SER C C 73 172.527 173.114 -0.587 1 1 358 . 12 1 1 A 31 31 SER CA C 73 58.672 57.064 1.608 1 1 359 . 12 1 1 A 31 31 SER CB C 73 63.303 66.168 -2.865 1 1 360 . 12 1 1 A 31 31 SER N N 73 115.080 119.788 -4.708 1 1 361 . 12 1 1 A 32 32 MET H H 74 8.065 8.668 -0.603 1 1 362 . 12 1 1 A 32 32 MET HA H 74 5.573 5.241 0.332 1 1 370 . 12 1 1 A 32 32 MET C C 74 174.974 175.721 -0.747 1 1 371 . 12 1 1 A 32 32 MET CA C 74 54.397 54.070 0.327 1 1 372 . 12 1 1 A 32 32 MET CB C 74 37.579 34.252 3.327 1 1 375 . 12 1 1 A 32 32 MET N N 74 121.780 125.913 -4.133 1 1 376 . 12 1 1 A 33 33 PHE H H 75 8.900 9.198 -0.298 1 1 377 . 12 1 1 A 33 33 PHE HA H 75 5.190 4.952 0.238 1 1 384 . 12 1 1 A 33 33 PHE C C 75 175.228 174.355 0.873 1 1 385 . 12 1 1 A 33 33 PHE CA C 75 56.797 57.841 -1.044 1 1 386 . 12 1 1 A 33 33 PHE CB C 75 44.141 40.697 3.444 1 1 387 . 12 1 1 A 33 33 PHE N N 75 118.800 123.146 -4.346 1 1 388 . 12 1 1 A 34 34 ILE H H 76 8.830 8.481 0.349 1 1 389 . 12 1 1 A 34 34 ILE HA H 76 4.851 4.523 0.328 1 1 399 . 12 1 1 A 34 34 ILE C C 76 177.606 176.701 0.905 1 1 400 . 12 1 1 A 34 34 ILE CA C 76 59.610 60.858 -1.248 1 1 401 . 12 1 1 A 34 34 ILE CB C 76 37.990 38.186 -0.196 1 1 405 . 12 1 1 A 34 34 ILE N N 76 121.330 128.455 -7.125 1 1 406 . 12 1 1 A 35 35 GLY H H 77 9.177 8.730 0.447 1 1 407 . 12 1 1 A 35 35 GLY HA2 H 77 4.139 3.830 0.309 1 1 408 . 12 1 1 A 35 35 GLY HA3 H 77 3.742 3.840 -0.098 1 1 409 . 12 1 1 A 35 35 GLY C C 77 174.757 175.219 -0.462 1 1 410 . 12 1 1 A 35 35 GLY CA C 77 47.422 46.777 0.645 1 1 411 . 12 1 1 A 35 35 GLY N N 77 118.894 111.816 7.078 1 1 412 . 12 1 1 A 36 36 ASN H H 78 9.170 9.026 0.144 1 1 413 . 12 1 1 A 36 36 ASN HA H 78 4.846 4.476 0.370 1 1 416 . 12 1 1 A 36 36 ASN C C 78 174.867 173.960 0.907 1 1 417 . 12 1 1 A 36 36 ASN CA C 78 52.578 54.602 -2.024 1 1 418 . 12 1 1 A 36 36 ASN CB C 78 38.985 38.088 0.897 1 1 419 . 12 1 1 A 36 36 ASN N N 78 125.494 123.180 2.314 1 1 420 . 12 1 1 A 37 37 ASP H H 79 8.590 8.396 0.194 1 1 421 . 12 1 1 A 37 37 ASP HA H 79 5.330 5.137 0.193 1 1 424 . 12 1 1 A 37 37 ASP C C 79 173.009 172.994 0.015 1 1 425 . 12 1 1 A 37 37 ASP CA C 79 51.172 51.542 -0.370 1 1 426 . 12 1 1 A 37 37 ASP CB C 79 39.922 41.630 -1.708 1 1 427 . 12 1 1 A 37 37 ASP N N 79 121.409 118.155 3.254 1 1 428 . 12 1 1 A 38 38 PRO HA H 80 4.320 4.512 -0.192 1 1 435 . 12 1 1 A 38 38 PRO C C 80 176.862 176.262 0.600 1 1 436 . 12 1 1 A 38 38 PRO CA C 80 62.422 62.446 -0.024 1 1 437 . 12 1 1 A 38 38 PRO CB C 80 32.890 31.716 1.174 1 1 440 . 12 1 1 A 39 39 VAL H H 81 8.001 8.020 -0.019 1 1 441 . 12 1 1 A 39 39 VAL HA H 81 4.522 4.948 -0.426 1 1 449 . 12 1 1 A 39 39 VAL C C 81 173.912 174.009 -0.097 1 1 450 . 12 1 1 A 39 39 VAL CA C 81 59.141 59.383 -0.242 1 1 451 . 12 1 1 A 39 39 VAL CB C 81 36.172 36.546 -0.374 1 1 454 . 12 1 1 A 39 39 VAL N N 81 115.450 116.681 -1.231 1 1 455 . 12 1 1 A 40 40 THR H H 82 7.672 8.399 -0.727 1 1 456 . 12 1 1 A 40 40 THR HA H 82 4.746 4.721 0.025 1 1 461 . 12 1 1 A 40 40 THR C C 82 175.692 174.634 1.058 1 1 462 . 12 1 1 A 40 40 THR CA C 82 59.121 60.249 -1.128 1 1 463 . 12 1 1 A 40 40 THR CB C 82 72.735 72.156 0.579 1 1 465 . 12 1 1 A 40 40 THR N N 82 110.320 115.013 -4.693 1 1 466 . 12 1 1 A 41 41 ASP H H 83 9.370 8.973 0.397 1 1 467 . 12 1 1 A 41 41 ASP HA H 83 4.314 4.503 -0.189 1 1 470 . 12 1 1 A 41 41 ASP C C 83 176.943 177.716 -0.773 1 1 471 . 12 1 1 A 41 41 ASP CA C 83 56.797 56.042 0.755 1 1 472 . 12 1 1 A 41 41 ASP CB C 83 38.047 40.876 -2.829 1 1 473 . 12 1 1 A 41 41 ASP N N 83 118.710 123.905 -5.195 1 1 474 . 12 1 1 A 42 42 GLU H H 84 8.228 8.150 0.078 1 1 475 . 12 1 1 A 42 42 GLU HA H 84 4.336 4.270 0.066 1 1 480 . 12 1 1 A 42 42 GLU C C 84 177.827 177.287 0.540 1 1 481 . 12 1 1 A 42 42 GLU CA C 84 58.204 58.032 0.172 1 1 482 . 12 1 1 A 42 42 GLU CB C 84 29.141 30.291 -1.150 1 1 484 . 12 1 1 A 42 42 GLU N N 84 115.213 118.659 -3.446 1 1 485 . 12 1 1 A 43 43 THR H H 85 7.510 7.850 -0.340 1 1 486 . 12 1 1 A 43 43 THR HA H 85 4.664 4.581 0.083 1 1 491 . 12 1 1 A 43 43 THR C C 85 175.799 175.413 0.386 1 1 492 . 12 1 1 A 43 43 THR CA C 85 61.395 60.864 0.531 1 1 493 . 12 1 1 A 43 43 THR CB C 85 70.391 69.404 0.987 1 1 495 . 12 1 1 A 43 43 THR N N 85 108.315 113.705 -5.390 1 1 496 . 12 1 1 A 44 44 MET H H 86 7.900 7.936 -0.036 1 1 497 . 12 1 1 A 44 44 MET HA H 86 3.820 4.258 -0.438 1 1 505 . 12 1 1 A 44 44 MET C C 86 176.605 178.339 -1.734 1 1 506 . 12 1 1 A 44 44 MET CA C 86 60.547 58.060 2.487 1 1 507 . 12 1 1 A 44 44 MET CB C 86 32.422 32.254 0.168 1 1 510 . 12 1 1 A 44 44 MET N N 86 121.500 120.226 1.274 1 1 511 . 12 1 1 A 45 45 ILE H H 87 8.430 7.941 0.489 1 1 512 . 12 1 1 A 45 45 ILE HA H 87 3.686 3.757 -0.071 1 1 522 . 12 1 1 A 45 45 ILE C C 87 177.773 178.094 -0.321 1 1 523 . 12 1 1 A 45 45 ILE CA C 87 62.934 64.939 -2.005 1 1 524 . 12 1 1 A 45 45 ILE CB C 87 34.766 37.963 -3.197 1 1 528 . 12 1 1 A 45 45 ILE N N 87 117.970 120.234 -2.264 1 1 529 . 12 1 1 A 46 46 THR H H 88 8.070 8.253 -0.183 1 1 530 . 12 1 1 A 46 46 THR HA H 88 3.953 4.084 -0.131 1 1 535 . 12 1 1 A 46 46 THR C C 88 177.011 177.205 -0.194 1 1 536 . 12 1 1 A 46 46 THR CA C 88 66.640 65.372 1.268 1 1 537 . 12 1 1 A 46 46 THR CB C 88 68.000 68.059 -0.059 1 1 539 . 12 1 1 A 46 46 THR N N 88 116.920 112.808 4.112 1 1 540 . 12 1 1 A 47 47 ALA H H 89 7.710 8.175 -0.465 1 1 541 . 12 1 1 A 47 47 ALA HA H 89 4.240 4.113 0.127 1 1 545 . 12 1 1 A 47 47 ALA C C 89 174.356 180.114 -5.758 1 1 546 . 12 1 1 A 47 47 ALA CA C 89 55.094 55.081 0.013 1 1 547 . 12 1 1 A 47 47 ALA CB C 89 18.828 18.361 0.467 1 1 548 . 12 1 1 A 47 47 ALA N N 89 123.490 124.586 -1.096 1 1 549 . 12 1 1 A 48 48 LEU H H 90 8.570 7.783 0.787 1 1 550 . 12 1 1 A 48 48 LEU HA H 90 3.445 3.973 -0.528 1 1 560 . 12 1 1 A 48 48 LEU C C 90 178.088 178.956 -0.868 1 1 561 . 12 1 1 A 48 48 LEU CA C 90 67.110 58.248 8.862 1 1 562 . 12 1 1 A 48 48 LEU CB C 90 31.420 41.853 -10.433 1 1 566 . 12 1 1 A 48 48 LEU N N 90 119.800 119.910 -0.110 1 1 567 . 12 1 1 A 49 49 ASN H H 91 8.979 8.095 0.884 1 1 568 . 12 1 1 A 49 49 ASN HA H 91 4.494 4.516 -0.022 1 1 571 . 12 1 1 A 49 49 ASN C C 91 178.227 177.412 0.815 1 1 572 . 12 1 1 A 49 49 ASN CA C 91 54.397 56.167 -1.770 1 1 573 . 12 1 1 A 49 49 ASN CB C 91 37.578 38.309 -0.731 1 1 574 . 12 1 1 A 49 49 ASN N N 91 117.500 117.530 -0.030 1 1 575 . 12 1 1 A 50 50 ALA H H 92 7.710 7.704 0.006 1 1 576 . 12 1 1 A 50 50 ALA HA H 92 4.232 4.142 0.090 1 1 580 . 12 1 1 A 50 50 ALA C C 92 180.155 179.313 0.842 1 1 581 . 12 1 1 A 50 50 ALA CA C 92 54.886 54.127 0.759 1 1 582 . 12 1 1 A 50 50 ALA CB C 92 17.962 18.207 -0.245 1 1 583 . 12 1 1 A 50 50 ALA N N 92 120.900 122.291 -1.391 1 1 584 . 12 1 1 A 51 51 LEU H H 93 7.670 7.700 -0.030 1 1 585 . 12 1 1 A 51 51 LEU HA H 93 4.340 4.217 0.123 1 1 595 . 12 1 1 A 51 51 LEU C C 93 179.407 178.551 0.856 1 1 596 . 12 1 1 A 51 51 LEU CA C 93 56.829 57.158 -0.329 1 1 597 . 12 1 1 A 51 51 LEU CB C 93 42.734 43.067 -0.333 1 1 601 . 12 1 1 A 51 51 LEU N N 93 117.980 117.280 0.700 1 1 602 . 12 1 1 A 52 52 THR H H 94 8.530 8.179 0.351 1 1 603 . 12 1 1 A 52 52 THR HA H 94 4.437 4.467 -0.030 1 1 608 . 12 1 1 A 52 52 THR C C 94 177.112 174.641 2.471 1 1 609 . 12 1 1 A 52 52 THR CA C 94 61.485 61.273 0.212 1 1 610 . 12 1 1 A 52 52 THR CB C 94 70.860 68.670 2.190 1 1 612 . 12 1 1 A 52 52 THR N N 94 107.010 106.868 0.142 1 1 613 . 12 1 1 A 53 53 GLU H H 95 8.001 8.371 -0.370 1 1 614 . 12 1 1 A 53 53 GLU HA H 95 4.062 4.128 -0.066 1 1 619 . 12 1 1 A 53 53 GLU C C 95 176.199 175.823 0.376 1 1 620 . 12 1 1 A 53 53 GLU CA C 95 56.797 57.478 -0.681 1 1 621 . 12 1 1 A 53 53 GLU CB C 95 26.346 28.393 -2.047 1 1 623 . 12 1 1 A 53 53 GLU N N 95 117.560 121.603 -4.043 1 1 624 . 12 1 1 A 54 54 GLY H H 96 8.349 8.752 -0.403 1 1 625 . 12 1 1 A 54 54 GLY HA2 H 96 4.120 3.886 0.234 1 1 626 . 12 1 1 A 54 54 GLY HA3 H 96 3.520 3.889 -0.369 1 1 627 . 12 1 1 A 54 54 GLY C C 96 174.264 174.097 0.167 1 1 628 . 12 1 1 A 54 54 GLY CA C 96 44.600 46.260 -1.660 1 1 629 . 12 1 1 A 54 54 GLY N N 96 105.347 105.104 0.243 1 1 630 . 12 1 1 A 55 55 LYS H H 97 7.400 7.946 -0.546 1 1 631 . 12 1 1 A 55 55 LYS HA H 97 4.386 4.393 -0.007 1 1 640 . 12 1 1 A 55 55 LYS C C 97 177.395 176.117 1.278 1 1 641 . 12 1 1 A 55 55 LYS CA C 97 56.797 55.443 1.354 1 1 642 . 12 1 1 A 55 55 LYS CB C 97 30.522 32.122 -1.600 1 1 646 . 12 1 1 A 55 55 LYS N N 97 120.080 120.466 -0.386 1 1 647 . 12 1 1 A 56 56 LYS H H 98 8.510 8.465 0.045 1 1 648 . 12 1 1 A 56 56 LYS HA H 98 3.940 4.399 -0.459 1 1 657 . 12 1 1 A 56 56 LYS C C 98 176.420 178.244 -1.824 1 1 658 . 12 1 1 A 56 56 LYS CA C 98 56.741 57.169 -0.428 1 1 659 . 12 1 1 A 56 56 LYS CB C 98 30.079 32.435 -2.356 1 1 663 . 12 1 1 A 56 56 LYS N N 98 126.202 124.923 1.279 1 1 664 . 12 1 1 A 57 57 ASP H H 99 8.510 8.175 0.335 1 1 665 . 12 1 1 A 57 57 ASP HA H 99 4.570 4.438 0.132 1 1 668 . 12 1 1 A 57 57 ASP C C 99 174.777 177.440 -2.663 1 1 669 . 12 1 1 A 57 57 ASP CA C 99 52.991 56.931 -3.940 1 1 670 . 12 1 1 A 57 57 ASP CB C 99 38.516 40.755 -2.239 1 1 671 . 12 1 1 A 57 57 ASP N N 99 116.900 119.159 -2.259 1 1 672 . 12 1 1 A 58 58 THR H H 100 7.400 7.696 -0.296 1 1 673 . 12 1 1 A 58 58 THR HA H 100 3.971 4.267 -0.296 1 1 678 . 12 1 1 A 58 58 THR C C 100 172.742 174.281 -1.539 1 1 679 . 12 1 1 A 58 58 THR CA C 100 63.360 63.439 -0.079 1 1 680 . 12 1 1 A 58 58 THR CB C 100 70.391 69.137 1.254 1 1 682 . 12 1 1 A 58 58 THR N N 100 117.350 115.240 2.110 1 1 683 . 12 1 1 A 59 59 THR H H 101 8.414 8.641 -0.227 1 1 684 . 12 1 1 A 59 59 THR HA H 101 4.174 4.566 -0.392 1 1 689 . 12 1 1 A 59 59 THR C C 101 172.505 174.221 -1.716 1 1 690 . 12 1 1 A 59 59 THR CA C 101 63.829 63.944 -0.115 1 1 691 . 12 1 1 A 59 59 THR CB C 101 69.454 68.948 0.506 1 1 693 . 12 1 1 A 59 59 THR N N 101 123.260 121.361 1.899 1 1 694 . 12 1 1 A 60 60 ILE H H 102 8.190 8.589 -0.399 1 1 695 . 12 1 1 A 60 60 ILE HA H 102 4.399 5.202 -0.803 1 1 705 . 12 1 1 A 60 60 ILE C C 102 175.119 175.050 0.069 1 1 706 . 12 1 1 A 60 60 ILE CA C 102 58.204 60.204 -2.000 1 1 707 . 12 1 1 A 60 60 ILE CB C 102 38.047 40.196 -2.149 1 1 711 . 12 1 1 A 60 60 ILE N N 102 126.467 128.039 -1.572 1 1 712 . 12 1 1 A 61 61 PHE H H 103 8.900 8.834 0.066 1 1 713 . 12 1 1 A 61 61 PHE HA H 103 5.204 5.133 0.071 1 1 720 . 12 1 1 A 61 61 PHE C C 103 174.877 174.872 0.005 1 1 721 . 12 1 1 A 61 61 PHE CA C 103 57.266 56.523 0.743 1 1 722 . 12 1 1 A 61 61 PHE CB C 103 40.860 39.733 1.127 1 1 723 . 12 1 1 A 61 61 PHE N N 103 125.650 126.612 -0.962 1 1 724 . 12 1 1 A 62 62 PHE H H 104 9.110 8.985 0.125 1 1 725 . 12 1 1 A 62 62 PHE HA H 104 5.590 4.889 0.701 1 1 732 . 12 1 1 A 62 62 PHE C C 104 174.407 173.894 0.513 1 1 733 . 12 1 1 A 62 62 PHE CA C 104 54.922 56.943 -2.021 1 1 734 . 12 1 1 A 62 62 PHE CB C 104 41.300 39.859 1.441 1 1 735 . 12 1 1 A 62 62 PHE N N 104 123.447 124.618 -1.171 1 1 736 . 12 1 1 A 63 63 ARG H H 105 9.020 8.713 0.307 1 1 737 . 12 1 1 A 63 63 ARG HA H 105 4.830 4.979 -0.149 1 1 744 . 12 1 1 A 63 63 ARG C C 105 173.862 175.114 -1.252 1 1 745 . 12 1 1 A 63 63 ARG CA C 105 54.453 54.573 -0.120 1 1 746 . 12 1 1 A 63 63 ARG CB C 105 32.422 32.146 0.276 1 1 749 . 12 1 1 A 63 63 ARG N N 105 126.020 128.658 -2.638 1 1 750 . 12 1 1 A 64 64 ALA H H 106 8.640 8.668 -0.028 1 1 751 . 12 1 1 A 64 64 ALA HA H 106 5.223 5.033 0.190 1 1 755 . 12 1 1 A 64 64 ALA C C 106 176.565 175.951 0.614 1 1 756 . 12 1 1 A 64 64 ALA CA C 106 50.235 49.920 0.315 1 1 757 . 12 1 1 A 64 64 ALA CB C 106 22.110 22.833 -0.723 1 1 758 . 12 1 1 A 64 64 ALA N N 106 126.540 128.603 -2.063 1 1 759 . 12 1 1 A 65 65 ASP H H 107 7.900 8.346 -0.446 1 1 760 . 12 1 1 A 65 65 ASP HA H 107 4.685 4.505 0.180 1 1 763 . 12 1 1 A 65 65 ASP C C 107 176.987 177.921 -0.934 1 1 764 . 12 1 1 A 65 65 ASP CA C 107 54.453 54.669 -0.216 1 1 765 . 12 1 1 A 65 65 ASP CB C 107 42.209 41.639 0.570 1 1 766 . 12 1 1 A 65 65 ASP N N 107 121.600 120.078 1.522 1 1 767 . 12 1 1 A 66 66 LYS H H 108 8.700 8.763 -0.063 1 1 768 . 12 1 1 A 66 66 LYS HA H 108 4.221 4.096 0.125 1 1 777 . 12 1 1 A 66 66 LYS C C 108 177.007 176.812 0.195 1 1 778 . 12 1 1 A 66 66 LYS CA C 108 58.682 58.379 0.303 1 1 779 . 12 1 1 A 66 66 LYS CB C 108 32.422 31.792 0.630 1 1 783 . 12 1 1 A 66 66 LYS N N 108 120.740 120.425 0.315 1 1 784 . 12 1 1 A 67 67 THR H H 109 8.035 7.697 0.338 1 1 785 . 12 1 1 A 67 67 THR HA H 109 4.270 4.479 -0.209 1 1 790 . 12 1 1 A 67 67 THR C C 109 175.031 173.752 1.279 1 1 791 . 12 1 1 A 67 67 THR CA C 109 62.422 61.249 1.173 1 1 792 . 12 1 1 A 67 67 THR CB C 109 68.985 68.935 0.050 1 1 794 . 12 1 1 A 67 67 THR N N 109 108.086 109.298 -1.212 1 1 795 . 12 1 1 A 68 68 VAL H H 110 7.470 7.617 -0.147 1 1 796 . 12 1 1 A 68 68 VAL HA H 110 3.960 4.159 -0.199 1 1 804 . 12 1 1 A 68 68 VAL C C 110 175.691 174.929 0.762 1 1 805 . 12 1 1 A 68 68 VAL CA C 110 63.360 61.805 1.555 1 1 806 . 12 1 1 A 68 68 VAL CB C 110 32.422 33.031 -0.609 1 1 809 . 12 1 1 A 68 68 VAL N N 110 123.270 122.787 0.483 1 1 810 . 12 1 1 A 69 69 ASP H H 111 8.710 8.237 0.473 1 1 811 . 12 1 1 A 69 69 ASP HA H 111 4.645 5.029 -0.384 1 1 814 . 12 1 1 A 69 69 ASP C C 111 176.150 177.100 -0.950 1 1 815 . 12 1 1 A 69 69 ASP CA C 111 53.989 53.957 0.032 1 1 816 . 12 1 1 A 69 69 ASP CB C 111 41.328 42.486 -1.158 1 1 817 . 12 1 1 A 69 69 ASP N N 111 126.170 126.872 -0.702 1 1 818 . 12 1 1 A 70 70 TYR H H 112 8.840 9.104 -0.264 1 1 819 . 12 1 1 A 70 70 TYR HA H 112 4.056 4.165 -0.109 1 1 826 . 12 1 1 A 70 70 TYR C C 112 177.075 177.612 -0.537 1 1 827 . 12 1 1 A 70 70 TYR CA C 112 61.890 62.128 -0.238 1 1 828 . 12 1 1 A 70 70 TYR CB C 112 38.980 38.560 0.420 1 1 829 . 12 1 1 A 70 70 TYR N N 112 123.360 125.729 -2.369 1 1 830 . 12 1 1 A 71 71 GLU H H 113 8.550 8.281 0.269 1 1 831 . 12 1 1 A 71 71 GLU HA H 113 3.904 3.848 0.056 1 1 836 . 12 1 1 A 71 71 GLU C C 113 179.338 178.916 0.422 1 1 837 . 12 1 1 A 71 71 GLU CA C 113 59.610 59.092 0.518 1 1 838 . 12 1 1 A 71 71 GLU CB C 113 27.765 28.865 -1.100 1 1 840 . 12 1 1 A 71 71 GLU N N 113 116.730 118.464 -1.734 1 1 841 . 12 1 1 A 72 72 THR H H 114 7.780 7.740 0.040 1 1 842 . 12 1 1 A 72 72 THR HA H 114 4.320 3.974 0.346 1 1 847 . 12 1 1 A 72 72 THR C C 114 175.987 176.318 -0.331 1 1 848 . 12 1 1 A 72 72 THR CA C 114 67.579 66.210 1.369 1 1 849 . 12 1 1 A 72 72 THR CB C 114 66.640 68.776 -2.136 1 1 851 . 12 1 1 A 72 72 THR N N 114 117.340 115.530 1.810 1 1 852 . 12 1 1 A 73 73 LEU H H 115 7.570 7.685 -0.115 1 1 853 . 12 1 1 A 73 73 LEU HA H 115 3.838 4.036 -0.198 1 1 863 . 12 1 1 A 73 73 LEU C C 115 178.670 178.459 0.211 1 1 864 . 12 1 1 A 73 73 LEU CA C 115 58.203 57.815 0.388 1 1 865 . 12 1 1 A 73 73 LEU CB C 115 40.860 41.270 -0.410 1 1 868 . 12 1 1 A 73 73 LEU N N 115 120.510 118.165 2.345 1 1 869 . 12 1 1 A 74 74 MET H H 116 8.280 7.590 0.690 1 1 870 . 12 1 1 A 74 74 MET HA H 116 4.100 4.094 0.006 1 1 878 . 12 1 1 A 74 74 MET C C 116 178.503 178.137 0.366 1 1 879 . 12 1 1 A 74 74 MET CA C 116 57.210 58.019 -0.809 1 1 880 . 12 1 1 A 74 74 MET CB C 116 32.400 32.014 0.386 1 1 883 . 12 1 1 A 74 74 MET N N 116 116.240 118.883 -2.643 1 1 884 . 12 1 1 A 75 75 LYS H H 117 7.755 7.563 0.192 1 1 885 . 12 1 1 A 75 75 LYS HA H 117 4.146 4.006 0.140 1 1 894 . 12 1 1 A 75 75 LYS C C 117 173.559 179.642 -6.083 1 1 895 . 12 1 1 A 75 75 LYS CA C 117 59.610 59.310 0.300 1 1 896 . 12 1 1 A 75 75 LYS CB C 117 31.495 32.262 -0.767 1 1 900 . 12 1 1 A 75 75 LYS N N 117 120.230 119.235 0.995 1 1 901 . 12 1 1 A 76 76 VAL H H 118 7.880 7.852 0.028 1 1 902 . 12 1 1 A 76 76 VAL HA H 118 3.598 3.818 -0.220 1 1 910 . 12 1 1 A 76 76 VAL C C 118 178.205 177.954 0.251 1 1 911 . 12 1 1 A 76 76 VAL CA C 118 66.641 65.079 1.562 1 1 912 . 12 1 1 A 76 76 VAL CB C 118 31.485 31.559 -0.074 1 1 915 . 12 1 1 A 76 76 VAL N N 118 120.500 115.689 4.811 1 1 916 . 12 1 1 A 77 77 MET H H 119 8.262 8.027 0.235 1 1 917 . 12 1 1 A 77 77 MET HA H 119 3.904 3.887 0.017 1 1 925 . 12 1 1 A 77 77 MET C C 119 178.200 177.237 0.963 1 1 926 . 12 1 1 A 77 77 MET CA C 119 59.610 58.504 1.106 1 1 927 . 12 1 1 A 77 77 MET CB C 119 32.422 31.843 0.579 1 1 930 . 12 1 1 A 77 77 MET N N 119 118.320 120.303 -1.983 1 1 931 . 12 1 1 A 78 78 ASP H H 120 8.720 7.839 0.881 1 1 932 . 12 1 1 A 78 78 ASP HA H 120 4.400 4.052 0.348 1 1 935 . 12 1 1 A 78 78 ASP C C 120 178.216 178.353 -0.137 1 1 936 . 12 1 1 A 78 78 ASP CA C 120 56.797 57.799 -1.002 1 1 937 . 12 1 1 A 78 78 ASP CB C 120 38.980 40.823 -1.843 1 1 938 . 12 1 1 A 78 78 ASP N N 120 117.800 119.742 -1.942 1 1 939 . 12 1 1 A 79 79 THR H H 121 8.040 7.731 0.309 1 1 940 . 12 1 1 A 79 79 THR HA H 121 3.939 4.007 -0.068 1 1 945 . 12 1 1 A 79 79 THR C C 121 176.582 176.554 0.028 1 1 946 . 12 1 1 A 79 79 THR CA C 121 66.641 67.551 -0.910 1 1 947 . 12 1 1 A 79 79 THR CB C 121 68.516 68.011 0.505 1 1 949 . 12 1 1 A 79 79 THR N N 121 118.470 116.592 1.878 1 1 950 . 12 1 1 A 80 80 LEU H H 122 7.931 8.484 -0.553 1 1 951 . 12 1 1 A 80 80 LEU HA H 122 4.136 4.054 0.082 1 1 961 . 12 1 1 A 80 80 LEU C C 122 178.936 178.966 -0.030 1 1 962 . 12 1 1 A 80 80 LEU CA C 122 58.672 58.363 0.309 1 1 963 . 12 1 1 A 80 80 LEU CB C 122 41.328 41.623 -0.295 1 1 967 . 12 1 1 A 80 80 LEU N N 122 121.676 120.976 0.700 1 1 968 . 12 1 1 A 81 81 HIS H H 123 8.825 7.664 1.161 1 1 969 . 12 1 1 A 81 81 HIS HA H 123 4.455 4.563 -0.108 1 1 974 . 12 1 1 A 81 81 HIS C C 123 179.780 177.964 1.816 1 1 975 . 12 1 1 A 81 81 HIS CA C 123 57.732 60.045 -2.313 1 1 976 . 12 1 1 A 81 81 HIS CB C 123 28.672 30.025 -1.353 1 1 977 . 12 1 1 A 81 81 HIS N N 123 117.910 116.451 1.459 1 1 978 . 12 1 1 A 82 82 GLN H H 124 8.740 8.562 0.178 1 1 979 . 12 1 1 A 82 82 GLN HA H 124 4.092 3.948 0.144 1 1 984 . 12 1 1 A 82 82 GLN C C 124 177.091 177.292 -0.201 1 1 985 . 12 1 1 A 82 82 GLN CA C 124 58.672 59.013 -0.341 1 1 986 . 12 1 1 A 82 82 GLN CB C 124 28.204 28.435 -0.231 1 1 988 . 12 1 1 A 82 82 GLN N N 124 120.420 118.106 2.314 1 1 989 . 12 1 1 A 83 83 ALA H H 125 7.330 7.526 -0.196 1 1 990 . 12 1 1 A 83 83 ALA HA H 125 4.495 4.391 0.104 1 1 994 . 12 1 1 A 83 83 ALA C C 125 176.371 177.720 -1.349 1 1 995 . 12 1 1 A 83 83 ALA CA C 125 52.110 51.546 0.564 1 1 996 . 12 1 1 A 83 83 ALA CB C 125 19.756 18.787 0.969 1 1 997 . 12 1 1 A 83 83 ALA N N 125 119.130 118.751 0.379 1 1 998 . 12 1 1 A 84 84 GLY H H 126 7.780 8.216 -0.436 1 1 999 . 12 1 1 A 84 84 GLY HA2 H 126 4.111 3.909 0.202 1 1 1000 . 12 1 1 A 84 84 GLY HA3 H 126 3.505 3.989 -0.484 1 1 1001 . 12 1 1 A 84 84 GLY C C 126 173.562 173.837 -0.275 1 1 1002 . 12 1 1 A 84 84 GLY CA C 126 44.610 45.145 -0.535 1 1 1003 . 12 1 1 A 84 84 GLY N N 126 104.120 107.662 -3.542 1 1 1004 . 12 1 1 A 85 85 TYR H H 127 7.910 8.455 -0.545 1 1 1005 . 12 1 1 A 85 85 TYR HA H 127 4.551 4.190 0.361 1 1 1012 . 12 1 1 A 85 85 TYR C C 127 177.192 175.691 1.501 1 1 1013 . 12 1 1 A 85 85 TYR CA C 127 59.610 58.053 1.557 1 1 1014 . 12 1 1 A 85 85 TYR CB C 127 37.110 36.647 0.463 1 1 1015 . 12 1 1 A 85 85 TYR N N 127 120.310 121.210 -0.900 1 1 1016 . 12 1 1 A 86 86 LEU H H 128 7.835 8.321 -0.486 1 1 1017 . 12 1 1 A 86 86 LEU HA H 128 4.357 4.470 -0.113 1 1 1027 . 12 1 1 A 86 86 LEU C C 128 178.503 176.935 1.568 1 1 1028 . 12 1 1 A 86 86 LEU CA C 128 54.456 54.575 -0.119 1 1 1029 . 12 1 1 A 86 86 LEU CB C 128 43.203 42.846 0.357 1 1 1033 . 12 1 1 A 86 86 LEU N N 128 120.100 120.669 -0.569 1 1 1034 . 12 1 1 A 87 87 LYS H H 129 9.330 8.024 1.306 1 1 1035 . 12 1 1 A 87 87 LYS HA H 129 4.512 4.561 -0.049 1 1 1044 . 12 1 1 A 87 87 LYS C C 129 173.251 175.146 -1.895 1 1 1045 . 12 1 1 A 87 87 LYS CA C 129 54.922 54.863 0.059 1 1 1046 . 12 1 1 A 87 87 LYS CB C 129 31.000 32.516 -1.516 1 1 1050 . 12 1 1 A 87 87 LYS N N 129 125.180 114.130 11.050 1 1 1051 . 12 1 1 A 88 88 ILE H H 130 7.589 8.451 -0.862 1 1 1052 . 12 1 1 A 88 88 ILE HA H 130 5.015 4.937 0.078 1 1 1062 . 12 1 1 A 88 88 ILE C C 130 176.481 175.732 0.749 1 1 1063 . 12 1 1 A 88 88 ILE CA C 130 58.672 59.641 -0.969 1 1 1064 . 12 1 1 A 88 88 ILE CB C 130 40.391 39.395 0.996 1 1 1068 . 12 1 1 A 88 88 ILE N N 130 122.487 125.225 -2.738 1 1 1069 . 12 1 1 A 89 89 GLY H H 131 8.960 8.876 0.084 1 1 1070 . 12 1 1 A 89 89 GLY HA2 H 131 4.543 2.920 1.623 1 1 1071 . 12 1 1 A 89 89 GLY HA3 H 131 3.488 3.697 -0.209 1 1 1072 . 12 1 1 A 89 89 GLY C C 131 171.936 172.006 -0.070 1 1 1073 . 12 1 1 A 89 89 GLY CA C 131 44.610 44.863 -0.253 1 1 1074 . 12 1 1 A 89 89 GLY N N 131 115.300 115.601 -0.301 1 1 1075 . 12 1 1 A 90 90 LEU H H 132 8.610 8.900 -0.290 1 1 1076 . 12 1 1 A 90 90 LEU HA H 132 5.061 4.709 0.352 1 1 1086 . 12 1 1 A 90 90 LEU C C 132 177.246 176.628 0.618 1 1 1087 . 12 1 1 A 90 90 LEU CA C 132 54.453 53.454 0.999 1 1 1088 . 12 1 1 A 90 90 LEU CB C 132 42.735 41.650 1.085 1 1 1092 . 12 1 1 A 90 90 LEU N N 132 124.560 124.725 -0.165 1 1 1093 . 12 1 1 A 91 91 VAL H H 133 8.630 8.631 -0.001 1 1 1094 . 12 1 1 A 91 91 VAL HA H 133 4.299 4.065 0.234 1 1 1102 . 12 1 1 A 91 91 VAL C C 133 176.296 175.458 0.838 1 1 1103 . 12 1 1 A 91 91 VAL CA C 133 61.953 63.200 -1.247 1 1 1104 . 12 1 1 A 91 91 VAL CB C 133 33.360 32.084 1.276 1 1 1107 . 12 1 1 A 91 91 VAL N N 133 123.280 126.315 -3.035 1 1 1108 . 12 1 1 A 92 92 GLY H H 134 8.620 8.718 -0.098 1 1 1109 . 12 1 1 A 92 92 GLY HA2 H 134 4.154 4.217 -0.063 1 1 1110 . 12 1 1 A 92 92 GLY HA3 H 134 4.007 4.229 -0.222 1 1 1111 . 12 1 1 A 92 92 GLY C C 134 174.157 173.537 0.620 1 1 1112 . 12 1 1 A 92 92 GLY CA C 134 45.097 44.983 0.114 1 1 1113 . 12 1 1 A 92 92 GLY N N 134 112.500 114.315 -1.815 1 1 1114 . 12 1 1 A 93 93 GLU H H 135 8.278 8.768 -0.490 1 1 1115 . 12 1 1 A 93 93 GLU HA H 135 4.387 4.680 -0.293 1 1 1120 . 12 1 1 A 93 93 GLU C C 135 176.500 175.293 1.207 1 1 1121 . 12 1 1 A 93 93 GLU CA C 135 56.797 55.411 1.386 1 1 1122 . 12 1 1 A 93 93 GLU CB C 135 29.141 29.425 -0.284 1 1 1124 . 12 1 1 A 93 93 GLU N N 135 119.460 121.687 -2.227 1 1 1125 . 12 1 1 A 94 94 GLU H H 136 8.680 7.576 1.104 1 1 1126 . 12 1 1 A 94 94 GLU HA H 136 4.387 4.786 -0.399 1 1 1131 . 12 1 1 A 94 94 GLU C C 136 176.970 174.987 1.983 1 1 1132 . 12 1 1 A 94 94 GLU CA C 136 56.797 56.500 0.297 1 1 1133 . 12 1 1 A 94 94 GLU CB C 136 29.141 31.850 -2.709 1 1 1135 . 12 1 1 A 94 94 GLU N N 136 121.740 120.856 0.884 1 1 1136 . 12 1 1 A 95 95 THR H H 137 8.221 9.073 -0.852 1 1 1137 . 12 1 1 A 95 95 THR HA H 137 4.228 5.122 -0.894 1 1 1142 . 12 1 1 A 95 95 THR C C 137 174.880 173.203 1.677 1 1 1143 . 12 1 1 A 95 95 THR CA C 137 62.422 60.719 1.703 1 1 1144 . 12 1 1 A 95 95 THR CB C 137 69.454 72.305 -2.851 1 1 1146 . 12 1 1 A 95 95 THR N N 137 115.380 121.518 -6.138 1 1 1147 . 12 1 1 A 96 96 ALA H H 138 8.311 8.517 -0.206 1 1 1148 . 12 1 1 A 96 96 ALA HA H 138 4.233 4.899 -0.666 1 1 1152 . 12 1 1 A 96 96 ALA C C 138 178.469 175.072 3.397 1 1 1153 . 12 1 1 A 96 96 ALA CA C 138 53.516 51.328 2.188 1 1 1154 . 12 1 1 A 96 96 ALA CB C 138 18.828 23.812 -4.984 1 1 1155 . 12 1 1 A 96 96 ALA N N 138 125.688 123.538 2.150 1 1 1156 . 12 1 1 A 97 97 LYS H H 139 8.210 8.599 -0.389 1 1 1157 . 12 1 1 A 97 97 LYS HA H 139 4.163 5.171 -1.008 1 1 1166 . 12 1 1 A 97 97 LYS C C 139 177.154 176.267 0.887 1 1 1167 . 12 1 1 A 97 97 LYS CA C 139 57.265 54.265 3.000 1 1 1168 . 12 1 1 A 97 97 LYS CB C 139 32.891 36.176 -3.285 1 1 1172 . 12 1 1 A 97 97 LYS N N 139 120.110 120.713 -0.603 1 1 1173 . 12 1 1 A 98 98 ALA H H 140 8.170 8.758 -0.588 1 1 1174 . 12 1 1 A 98 98 ALA HA H 140 4.209 4.937 -0.728 1 1 1178 . 12 1 1 A 98 98 ALA C C 140 178.469 176.387 2.082 1 1 1179 . 12 1 1 A 98 98 ALA CA C 140 53.516 51.125 2.391 1 1 1180 . 12 1 1 A 98 98 ALA CB C 140 18.828 21.165 -2.337 1 1 1181 . 12 1 1 A 98 98 ALA N N 140 124.210 128.666 -4.456 1 1 1 . 13 1 1 A 2 2 ASP H H 44 8.930 7.668 1.262 1 1 2 . 13 1 1 A 2 2 ASP HA H 44 4.860 4.920 -0.060 1 1 5 . 13 1 1 A 2 2 ASP C C 44 175.278 173.577 1.701 1 1 6 . 13 1 1 A 2 2 ASP CA C 44 53.516 54.167 -0.651 1 1 7 . 13 1 1 A 2 2 ASP CB C 44 39.397 43.922 -4.525 1 1 8 . 13 1 1 A 2 2 ASP N N 44 122.920 116.916 6.004 1 1 9 . 13 1 1 A 3 3 VAL H H 45 8.329 8.802 -0.473 1 1 10 . 13 1 1 A 3 3 VAL HA H 45 4.120 4.898 -0.778 1 1 18 . 13 1 1 A 3 3 VAL C C 45 175.938 173.622 2.316 1 1 19 . 13 1 1 A 3 3 VAL CA C 45 62.422 59.525 2.897 1 1 20 . 13 1 1 A 3 3 VAL CB C 45 32.300 35.697 -3.397 1 1 23 . 13 1 1 A 3 3 VAL N N 45 121.541 123.465 -1.924 1 1 24 . 13 1 1 A 4 4 LYS H H 46 8.400 8.671 -0.271 1 1 25 . 13 1 1 A 4 4 LYS HA H 46 4.387 4.865 -0.478 1 1 34 . 13 1 1 A 4 4 LYS C C 46 176.333 175.665 0.668 1 1 35 . 13 1 1 A 4 4 LYS CA C 46 56.270 55.015 1.255 1 1 36 . 13 1 1 A 4 4 LYS CB C 46 32.874 34.104 -1.230 1 1 40 . 13 1 1 A 4 4 LYS N N 46 125.410 127.559 -2.149 1 1 42 . 13 1 1 A 5 5 VAL H H 47 8.190 8.808 -0.618 1 1 43 . 13 1 1 A 5 5 VAL HA H 47 4.118 4.112 0.006 1 1 51 . 13 1 1 A 5 5 VAL C C 47 175.567 175.461 0.106 1 1 52 . 13 1 1 A 5 5 VAL CA C 47 61.954 63.345 -1.391 1 1 53 . 13 1 1 A 5 5 VAL CB C 47 32.443 32.187 0.256 1 1 56 . 13 1 1 A 5 5 VAL N N 47 121.672 125.238 -3.566 1 1 57 . 13 1 1 A 6 6 ASN H H 48 8.571 8.928 -0.357 1 1 58 . 13 1 1 A 6 6 ASN HA H 48 4.750 5.708 -0.958 1 1 61 . 13 1 1 A 6 6 ASN C C 48 174.566 173.815 0.751 1 1 62 . 13 1 1 A 6 6 ASN CA C 48 53.047 51.285 1.762 1 1 63 . 13 1 1 A 6 6 ASN CB C 48 38.901 42.005 -3.104 1 1 64 . 13 1 1 A 6 6 ASN N N 48 123.230 124.360 -1.130 1 1 65 . 13 1 1 A 7 7 LEU H H 49 8.286 8.545 -0.259 1 1 66 . 13 1 1 A 7 7 LEU HA H 49 4.632 4.756 -0.124 1 1 76 . 13 1 1 A 7 7 LEU C C 49 175.162 174.619 0.543 1 1 77 . 13 1 1 A 7 7 LEU CA C 49 53.047 52.137 0.910 1 1 78 . 13 1 1 A 7 7 LEU CB C 49 41.825 42.524 -0.699 1 1 82 . 13 1 1 A 7 7 LEU N N 49 124.491 122.425 2.066 1 1 83 . 13 1 1 A 8 8 PRO HA H 50 4.443 4.719 -0.276 1 1 90 . 13 1 1 A 8 8 PRO C C 50 176.734 175.993 0.741 1 1 91 . 13 1 1 A 8 8 PRO CA C 50 62.903 62.745 0.158 1 1 92 . 13 1 1 A 8 8 PRO CB C 50 31.839 32.789 -0.950 1 1 95 . 13 1 1 A 9 9 ALA H H 51 8.424 8.561 -0.137 1 1 96 . 13 1 1 A 9 9 ALA HA H 51 4.330 4.792 -0.462 1 1 100 . 13 1 1 A 9 9 ALA C C 51 178.124 175.722 2.402 1 1 101 . 13 1 1 A 9 9 ALA CA C 51 52.578 52.182 0.396 1 1 102 . 13 1 1 A 9 9 ALA CB C 51 19.297 19.741 -0.444 1 1 103 . 13 1 1 A 9 9 ALA N N 51 124.364 123.200 1.164 1 1 104 . 13 1 1 A 10 10 SER H H 52 8.380 8.782 -0.402 1 1 105 . 13 1 1 A 10 10 SER HA H 52 4.223 4.970 -0.747 1 1 108 . 13 1 1 A 10 10 SER C C 52 174.982 174.778 0.204 1 1 109 . 13 1 1 A 10 10 SER CA C 52 58.672 56.997 1.675 1 1 110 . 13 1 1 A 10 10 SER CB C 52 63.829 66.706 -2.877 1 1 111 . 13 1 1 A 10 10 SER N N 52 114.800 119.401 -4.601 1 1 112 . 13 1 1 A 11 11 THR H H 53 8.227 8.791 -0.564 1 1 113 . 13 1 1 A 11 11 THR HA H 53 4.478 4.043 0.435 1 1 118 . 13 1 1 A 11 11 THR C C 53 174.612 174.686 -0.074 1 1 119 . 13 1 1 A 11 11 THR CA C 53 61.922 63.041 -1.119 1 1 120 . 13 1 1 A 11 11 THR CB C 53 69.922 66.644 3.278 1 1 122 . 13 1 1 A 11 11 THR N N 53 115.236 118.814 -3.578 1 1 123 . 13 1 1 A 12 12 SER H H 54 8.330 8.140 0.190 1 1 124 . 13 1 1 A 12 12 SER HA H 54 4.559 4.602 -0.043 1 1 127 . 13 1 1 A 12 12 SER C C 54 174.299 173.471 0.828 1 1 128 . 13 1 1 A 12 12 SER CA C 54 58.204 57.699 0.505 1 1 129 . 13 1 1 A 12 12 SER CB C 54 63.891 63.362 0.529 1 1 130 . 13 1 1 A 12 12 SER N N 54 117.770 115.569 2.201 1 1 131 . 13 1 1 A 13 13 THR H H 55 8.274 7.290 0.984 1 1 132 . 13 1 1 A 13 13 THR HA H 55 4.624 4.872 -0.248 1 1 137 . 13 1 1 A 13 13 THR C C 55 170.400 172.873 -2.473 1 1 138 . 13 1 1 A 13 13 THR CA C 55 60.079 59.646 0.433 1 1 139 . 13 1 1 A 13 13 THR CB C 55 69.922 69.618 0.304 1 1 141 . 13 1 1 A 13 13 THR N N 55 118.865 112.898 5.967 1 1 142 . 13 1 1 A 14 14 PRO HA H 56 4.458 4.512 -0.054 1 1 149 . 13 1 1 A 14 14 PRO C C 56 176.748 177.063 -0.315 1 1 150 . 13 1 1 A 14 14 PRO CA C 56 63.076 62.695 0.381 1 1 151 . 13 1 1 A 14 14 PRO CB C 56 32.043 32.301 -0.258 1 1 154 . 13 1 1 A 15 15 GLN H H 57 8.547 8.327 0.220 1 1 155 . 13 1 1 A 15 15 GLN HA H 57 4.620 4.455 0.165 1 1 160 . 13 1 1 A 15 15 GLN CA C 57 53.600 54.672 -1.072 1 1 161 . 13 1 1 A 15 15 GLN CB C 57 29.141 28.067 1.074 1 1 163 . 13 1 1 A 15 15 GLN N N 57 122.041 121.691 0.350 1 1 165 . 13 1 1 A 16 16 PRO HA H 58 4.458 4.633 -0.175 1 1 172 . 13 1 1 A 16 16 PRO C C 58 176.620 175.644 0.976 1 1 173 . 13 1 1 A 16 16 PRO CA C 58 62.872 62.915 -0.043 1 1 174 . 13 1 1 A 16 16 PRO CB C 58 32.111 32.969 -0.858 1 1 177 . 13 1 1 A 17 17 ARG H H 59 8.511 8.684 -0.173 1 1 178 . 13 1 1 A 17 17 ARG HA H 59 4.643 4.836 -0.193 1 1 185 . 13 1 1 A 17 17 ARG CA C 59 53.985 53.443 0.542 1 1 186 . 13 1 1 A 17 17 ARG CB C 59 30.195 31.158 -0.963 1 1 189 . 13 1 1 A 17 17 ARG N N 59 122.731 122.585 0.146 1 1 190 . 13 1 1 A 18 18 PRO HA H 60 4.458 4.625 -0.167 1 1 197 . 13 1 1 A 18 18 PRO C C 60 176.892 175.215 1.677 1 1 198 . 13 1 1 A 18 18 PRO CA C 60 62.940 62.379 0.561 1 1 199 . 13 1 1 A 18 18 PRO CB C 60 32.891 32.981 -0.090 1 1 202 . 13 1 1 A 19 19 GLU H H 61 8.480 8.517 -0.037 1 1 203 . 13 1 1 A 19 19 GLU HA H 61 4.391 4.929 -0.538 1 1 208 . 13 1 1 A 19 19 GLU C C 61 176.174 175.584 0.590 1 1 209 . 13 1 1 A 19 19 GLU CA C 61 54.922 54.755 0.167 1 1 210 . 13 1 1 A 19 19 GLU CB C 61 29.141 33.386 -4.245 1 1 212 . 13 1 1 A 19 19 GLU N N 61 120.840 119.967 0.873 1 1 213 . 13 1 1 A 20 20 LYS H H 62 8.502 9.022 -0.520 1 1 214 . 13 1 1 A 20 20 LYS HA H 62 4.620 5.025 -0.405 1 1 223 . 13 1 1 A 20 20 LYS C C 62 171.420 174.286 -2.866 1 1 224 . 13 1 1 A 20 20 LYS CA C 62 54.827 53.378 1.449 1 1 225 . 13 1 1 A 20 20 LYS CB C 62 32.422 35.675 -3.253 1 1 229 . 13 1 1 A 20 20 LYS N N 62 125.117 120.655 4.462 1 1 230 . 13 1 1 A 21 21 PRO HA H 63 4.448 4.514 -0.066 1 1 237 . 13 1 1 A 21 21 PRO CA C 63 62.261 62.590 -0.329 1 1 238 . 13 1 1 A 21 21 PRO CB C 63 32.422 32.051 0.371 1 1 241 . 13 1 1 A 22 22 VAL H H 64 8.570 8.540 0.030 1 1 242 . 13 1 1 A 22 22 VAL HA H 64 4.097 4.344 -0.247 1 1 250 . 13 1 1 A 22 22 VAL C C 64 173.862 174.568 -0.706 1 1 251 . 13 1 1 A 22 22 VAL CA C 64 61.000 62.039 -1.039 1 1 252 . 13 1 1 A 22 22 VAL CB C 64 33.770 31.445 2.325 1 1 255 . 13 1 1 A 22 22 VAL N N 64 120.453 123.011 -2.558 1 1 256 . 13 1 1 A 23 23 TYR H H 65 8.600 9.007 -0.407 1 1 257 . 13 1 1 A 23 23 TYR HA H 65 5.207 5.390 -0.183 1 1 264 . 13 1 1 A 23 23 TYR C C 65 174.916 173.924 0.992 1 1 265 . 13 1 1 A 23 23 TYR CA C 65 57.210 56.136 1.074 1 1 266 . 13 1 1 A 23 23 TYR CB C 65 39.454 41.858 -2.404 1 1 267 . 13 1 1 A 23 23 TYR N N 65 124.580 128.457 -3.877 1 1 268 . 13 1 1 A 24 24 LEU H H 66 9.186 9.405 -0.219 1 1 269 . 13 1 1 A 24 24 LEU HA H 66 5.261 4.989 0.272 1 1 279 . 13 1 1 A 24 24 LEU C C 66 175.491 175.996 -0.505 1 1 280 . 13 1 1 A 24 24 LEU CA C 66 53.516 54.123 -0.607 1 1 281 . 13 1 1 A 24 24 LEU CB C 66 45.078 43.593 1.485 1 1 285 . 13 1 1 A 24 24 LEU N N 66 128.669 129.685 -1.016 1 1 286 . 13 1 1 A 25 25 SER H H 67 9.300 8.825 0.475 1 1 287 . 13 1 1 A 25 25 SER HA H 67 5.637 5.262 0.375 1 1 290 . 13 1 1 A 25 25 SER C C 67 173.470 173.323 0.147 1 1 291 . 13 1 1 A 25 25 SER CA C 67 56.784 57.745 -0.961 1 1 292 . 13 1 1 A 25 25 SER CB C 67 65.267 65.533 -0.266 1 1 293 . 13 1 1 A 25 25 SER N N 67 120.290 119.275 1.015 1 1 294 . 13 1 1 A 26 26 VAL H H 68 8.600 8.665 -0.065 1 1 295 . 13 1 1 A 26 26 VAL HA H 68 4.847 4.992 -0.145 1 1 303 . 13 1 1 A 26 26 VAL C C 68 175.205 174.691 0.514 1 1 304 . 13 1 1 A 26 26 VAL CA C 68 60.950 59.917 1.033 1 1 305 . 13 1 1 A 26 26 VAL CB C 68 33.770 34.477 -0.707 1 1 308 . 13 1 1 A 26 26 VAL N N 68 123.723 124.339 -0.616 1 1 309 . 13 1 1 A 27 27 LYS H H 69 8.760 8.381 0.379 1 1 310 . 13 1 1 A 27 27 LYS HA H 69 4.630 4.852 -0.222 1 1 319 . 13 1 1 A 27 27 LYS C C 69 176.007 174.998 1.009 1 1 320 . 13 1 1 A 27 27 LYS CA C 69 62.400 55.005 7.395 1 1 321 . 13 1 1 A 27 27 LYS CB C 69 33.820 35.477 -1.657 1 1 325 . 13 1 1 A 27 27 LYS N N 69 126.000 122.018 3.982 1 1 326 . 13 1 1 A 28 28 ALA H H 70 8.728 9.253 -0.525 1 1 327 . 13 1 1 A 28 28 ALA HA H 70 4.018 3.956 0.062 1 1 331 . 13 1 1 A 28 28 ALA C C 70 177.852 176.344 1.508 1 1 332 . 13 1 1 A 28 28 ALA CA C 70 53.985 53.362 0.623 1 1 333 . 13 1 1 A 28 28 ALA CB C 70 19.297 17.709 1.588 1 1 334 . 13 1 1 A 28 28 ALA N N 70 124.480 121.836 2.644 1 1 335 . 13 1 1 A 29 29 ASP H H 71 8.256 8.626 -0.370 1 1 336 . 13 1 1 A 29 29 ASP HA H 71 4.497 4.317 0.180 1 1 339 . 13 1 1 A 29 29 ASP C C 71 176.455 174.898 1.557 1 1 340 . 13 1 1 A 29 29 ASP CA C 71 53.985 56.240 -2.255 1 1 341 . 13 1 1 A 29 29 ASP CB C 71 39.315 39.857 -0.542 1 1 342 . 13 1 1 A 29 29 ASP N N 71 118.722 112.556 6.166 1 1 343 . 13 1 1 A 30 30 ASN H H 72 8.380 8.593 -0.213 1 1 344 . 13 1 1 A 30 30 ASN HA H 72 4.374 4.945 -0.571 1 1 349 . 13 1 1 A 30 30 ASN C C 72 174.641 174.124 0.517 1 1 350 . 13 1 1 A 30 30 ASN CA C 72 54.453 52.348 2.105 1 1 351 . 13 1 1 A 30 30 ASN CB C 72 37.579 38.770 -1.191 1 1 352 . 13 1 1 A 30 30 ASN N N 72 113.000 116.351 -3.351 1 1 353 . 13 1 1 A 31 31 SER H H 73 7.710 7.889 -0.179 1 1 354 . 13 1 1 A 31 31 SER HA H 73 4.404 4.850 -0.446 1 1 357 . 13 1 1 A 31 31 SER C C 73 172.527 173.723 -1.196 1 1 358 . 13 1 1 A 31 31 SER CA C 73 58.672 57.209 1.463 1 1 359 . 13 1 1 A 31 31 SER CB C 73 63.303 64.212 -0.909 1 1 360 . 13 1 1 A 31 31 SER N N 73 115.080 116.603 -1.523 1 1 361 . 13 1 1 A 32 32 MET H H 74 8.065 8.531 -0.466 1 1 362 . 13 1 1 A 32 32 MET HA H 74 5.573 5.132 0.441 1 1 370 . 13 1 1 A 32 32 MET C C 74 174.974 175.637 -0.663 1 1 371 . 13 1 1 A 32 32 MET CA C 74 54.397 55.158 -0.761 1 1 372 . 13 1 1 A 32 32 MET CB C 74 37.579 32.292 5.287 1 1 375 . 13 1 1 A 32 32 MET N N 74 121.780 126.604 -4.824 1 1 376 . 13 1 1 A 33 33 PHE H H 75 8.900 9.185 -0.285 1 1 377 . 13 1 1 A 33 33 PHE HA H 75 5.190 4.876 0.314 1 1 384 . 13 1 1 A 33 33 PHE C C 75 175.228 174.336 0.892 1 1 385 . 13 1 1 A 33 33 PHE CA C 75 56.797 57.907 -1.110 1 1 386 . 13 1 1 A 33 33 PHE CB C 75 44.141 40.690 3.451 1 1 387 . 13 1 1 A 33 33 PHE N N 75 118.800 123.104 -4.304 1 1 388 . 13 1 1 A 34 34 ILE H H 76 8.830 8.519 0.311 1 1 389 . 13 1 1 A 34 34 ILE HA H 76 4.851 4.504 0.347 1 1 399 . 13 1 1 A 34 34 ILE C C 76 177.606 176.780 0.826 1 1 400 . 13 1 1 A 34 34 ILE CA C 76 59.610 60.767 -1.157 1 1 401 . 13 1 1 A 34 34 ILE CB C 76 37.990 38.173 -0.183 1 1 405 . 13 1 1 A 34 34 ILE N N 76 121.330 128.423 -7.093 1 1 406 . 13 1 1 A 35 35 GLY H H 77 9.177 8.711 0.466 1 1 407 . 13 1 1 A 35 35 GLY HA2 H 77 4.139 3.831 0.308 1 1 408 . 13 1 1 A 35 35 GLY HA3 H 77 3.742 3.837 -0.095 1 1 409 . 13 1 1 A 35 35 GLY C C 77 174.757 175.195 -0.438 1 1 410 . 13 1 1 A 35 35 GLY CA C 77 47.422 46.891 0.531 1 1 411 . 13 1 1 A 35 35 GLY N N 77 118.894 111.694 7.200 1 1 412 . 13 1 1 A 36 36 ASN H H 78 9.170 9.019 0.151 1 1 413 . 13 1 1 A 36 36 ASN HA H 78 4.846 4.473 0.373 1 1 416 . 13 1 1 A 36 36 ASN C C 78 174.867 174.027 0.840 1 1 417 . 13 1 1 A 36 36 ASN CA C 78 52.578 54.613 -2.035 1 1 418 . 13 1 1 A 36 36 ASN CB C 78 38.985 38.049 0.936 1 1 419 . 13 1 1 A 36 36 ASN N N 78 125.494 123.153 2.341 1 1 420 . 13 1 1 A 37 37 ASP H H 79 8.590 8.344 0.246 1 1 421 . 13 1 1 A 37 37 ASP HA H 79 5.330 5.128 0.202 1 1 424 . 13 1 1 A 37 37 ASP C C 79 173.009 172.925 0.084 1 1 425 . 13 1 1 A 37 37 ASP CA C 79 51.172 51.571 -0.399 1 1 426 . 13 1 1 A 37 37 ASP CB C 79 39.922 41.572 -1.650 1 1 427 . 13 1 1 A 37 37 ASP N N 79 121.409 118.495 2.914 1 1 428 . 13 1 1 A 38 38 PRO HA H 80 4.320 4.601 -0.281 1 1 435 . 13 1 1 A 38 38 PRO C C 80 176.862 176.230 0.632 1 1 436 . 13 1 1 A 38 38 PRO CA C 80 62.422 62.379 0.043 1 1 437 . 13 1 1 A 38 38 PRO CB C 80 32.890 31.773 1.117 1 1 440 . 13 1 1 A 39 39 VAL H H 81 8.001 8.012 -0.011 1 1 441 . 13 1 1 A 39 39 VAL HA H 81 4.522 4.879 -0.357 1 1 449 . 13 1 1 A 39 39 VAL C C 81 173.912 173.882 0.030 1 1 450 . 13 1 1 A 39 39 VAL CA C 81 59.141 59.387 -0.246 1 1 451 . 13 1 1 A 39 39 VAL CB C 81 36.172 36.429 -0.257 1 1 454 . 13 1 1 A 39 39 VAL N N 81 115.450 116.671 -1.221 1 1 455 . 13 1 1 A 40 40 THR H H 82 7.672 8.434 -0.762 1 1 456 . 13 1 1 A 40 40 THR HA H 82 4.746 4.696 0.050 1 1 461 . 13 1 1 A 40 40 THR C C 82 175.692 175.136 0.556 1 1 462 . 13 1 1 A 40 40 THR CA C 82 59.121 60.818 -1.697 1 1 463 . 13 1 1 A 40 40 THR CB C 82 72.735 72.686 0.049 1 1 465 . 13 1 1 A 40 40 THR N N 82 110.320 115.336 -5.016 1 1 466 . 13 1 1 A 41 41 ASP H H 83 9.370 9.120 0.250 1 1 467 . 13 1 1 A 41 41 ASP HA H 83 4.314 4.472 -0.158 1 1 470 . 13 1 1 A 41 41 ASP C C 83 176.943 178.057 -1.114 1 1 471 . 13 1 1 A 41 41 ASP CA C 83 56.797 56.233 0.564 1 1 472 . 13 1 1 A 41 41 ASP CB C 83 38.047 40.047 -2.000 1 1 473 . 13 1 1 A 41 41 ASP N N 83 118.710 123.094 -4.384 1 1 474 . 13 1 1 A 42 42 GLU H H 84 8.228 7.913 0.315 1 1 475 . 13 1 1 A 42 42 GLU HA H 84 4.336 4.310 0.026 1 1 480 . 13 1 1 A 42 42 GLU C C 84 177.827 178.007 -0.180 1 1 481 . 13 1 1 A 42 42 GLU CA C 84 58.204 58.290 -0.086 1 1 482 . 13 1 1 A 42 42 GLU CB C 84 29.141 30.547 -1.406 1 1 484 . 13 1 1 A 42 42 GLU N N 84 115.213 119.361 -4.148 1 1 485 . 13 1 1 A 43 43 THR H H 85 7.510 7.878 -0.368 1 1 486 . 13 1 1 A 43 43 THR HA H 85 4.664 4.652 0.012 1 1 491 . 13 1 1 A 43 43 THR C C 85 175.799 175.443 0.356 1 1 492 . 13 1 1 A 43 43 THR CA C 85 61.395 62.873 -1.478 1 1 493 . 13 1 1 A 43 43 THR CB C 85 70.391 68.802 1.589 1 1 495 . 13 1 1 A 43 43 THR N N 85 108.315 114.963 -6.648 1 1 496 . 13 1 1 A 44 44 MET H H 86 7.900 7.932 -0.032 1 1 497 . 13 1 1 A 44 44 MET HA H 86 3.820 4.208 -0.388 1 1 505 . 13 1 1 A 44 44 MET C C 86 176.605 178.253 -1.648 1 1 506 . 13 1 1 A 44 44 MET CA C 86 60.547 58.326 2.221 1 1 507 . 13 1 1 A 44 44 MET CB C 86 32.422 32.176 0.246 1 1 510 . 13 1 1 A 44 44 MET N N 86 121.500 120.129 1.371 1 1 511 . 13 1 1 A 45 45 ILE H H 87 8.430 8.228 0.202 1 1 512 . 13 1 1 A 45 45 ILE HA H 87 3.686 3.758 -0.072 1 1 522 . 13 1 1 A 45 45 ILE C C 87 177.773 178.022 -0.249 1 1 523 . 13 1 1 A 45 45 ILE CA C 87 62.934 65.016 -2.082 1 1 524 . 13 1 1 A 45 45 ILE CB C 87 34.766 37.335 -2.569 1 1 528 . 13 1 1 A 45 45 ILE N N 87 117.970 119.625 -1.655 1 1 529 . 13 1 1 A 46 46 THR H H 88 8.070 8.122 -0.052 1 1 530 . 13 1 1 A 46 46 THR HA H 88 3.953 4.044 -0.091 1 1 535 . 13 1 1 A 46 46 THR C C 88 177.011 177.012 -0.001 1 1 536 . 13 1 1 A 46 46 THR CA C 88 66.640 65.773 0.867 1 1 537 . 13 1 1 A 46 46 THR CB C 88 68.000 68.275 -0.275 1 1 539 . 13 1 1 A 46 46 THR N N 88 116.920 112.765 4.155 1 1 540 . 13 1 1 A 47 47 ALA H H 89 7.710 8.260 -0.550 1 1 541 . 13 1 1 A 47 47 ALA HA H 89 4.240 4.229 0.011 1 1 545 . 13 1 1 A 47 47 ALA C C 89 174.356 179.910 -5.554 1 1 546 . 13 1 1 A 47 47 ALA CA C 89 55.094 55.111 -0.017 1 1 547 . 13 1 1 A 47 47 ALA CB C 89 18.828 18.040 0.788 1 1 548 . 13 1 1 A 47 47 ALA N N 89 123.490 124.043 -0.553 1 1 549 . 13 1 1 A 48 48 LEU H H 90 8.570 8.434 0.136 1 1 550 . 13 1 1 A 48 48 LEU HA H 90 3.445 3.938 -0.493 1 1 560 . 13 1 1 A 48 48 LEU C C 90 178.088 179.495 -1.407 1 1 561 . 13 1 1 A 48 48 LEU CA C 90 67.110 58.256 8.854 1 1 562 . 13 1 1 A 48 48 LEU CB C 90 31.420 41.966 -10.546 1 1 566 . 13 1 1 A 48 48 LEU N N 90 119.800 119.203 0.597 1 1 567 . 13 1 1 A 49 49 ASN H H 91 8.979 8.955 0.024 1 1 568 . 13 1 1 A 49 49 ASN HA H 91 4.494 4.442 0.052 1 1 571 . 13 1 1 A 49 49 ASN C C 91 178.227 177.223 1.004 1 1 572 . 13 1 1 A 49 49 ASN CA C 91 54.397 56.535 -2.138 1 1 573 . 13 1 1 A 49 49 ASN CB C 91 37.578 38.207 -0.629 1 1 574 . 13 1 1 A 49 49 ASN N N 91 117.500 117.760 -0.260 1 1 575 . 13 1 1 A 50 50 ALA H H 92 7.710 7.658 0.052 1 1 576 . 13 1 1 A 50 50 ALA HA H 92 4.232 4.143 0.089 1 1 580 . 13 1 1 A 50 50 ALA C C 92 180.155 179.472 0.683 1 1 581 . 13 1 1 A 50 50 ALA CA C 92 54.886 54.006 0.880 1 1 582 . 13 1 1 A 50 50 ALA CB C 92 17.962 18.240 -0.278 1 1 583 . 13 1 1 A 50 50 ALA N N 92 120.900 122.256 -1.356 1 1 584 . 13 1 1 A 51 51 LEU H H 93 7.670 7.832 -0.162 1 1 585 . 13 1 1 A 51 51 LEU HA H 93 4.340 4.216 0.124 1 1 595 . 13 1 1 A 51 51 LEU C C 93 179.407 177.829 1.578 1 1 596 . 13 1 1 A 51 51 LEU CA C 93 56.829 57.149 -0.320 1 1 597 . 13 1 1 A 51 51 LEU CB C 93 42.734 42.901 -0.167 1 1 601 . 13 1 1 A 51 51 LEU N N 93 117.980 117.348 0.632 1 1 602 . 13 1 1 A 52 52 THR H H 94 8.530 8.195 0.335 1 1 603 . 13 1 1 A 52 52 THR HA H 94 4.437 4.542 -0.105 1 1 608 . 13 1 1 A 52 52 THR C C 94 177.112 174.138 2.974 1 1 609 . 13 1 1 A 52 52 THR CA C 94 61.485 62.113 -0.628 1 1 610 . 13 1 1 A 52 52 THR CB C 94 70.860 68.794 2.066 1 1 612 . 13 1 1 A 52 52 THR N N 94 107.010 112.070 -5.060 1 1 613 . 13 1 1 A 53 53 GLU H H 95 8.001 8.319 -0.318 1 1 614 . 13 1 1 A 53 53 GLU HA H 95 4.062 4.248 -0.186 1 1 619 . 13 1 1 A 53 53 GLU C C 95 176.199 176.489 -0.290 1 1 620 . 13 1 1 A 53 53 GLU CA C 95 56.797 57.722 -0.925 1 1 621 . 13 1 1 A 53 53 GLU CB C 95 26.346 27.485 -1.139 1 1 623 . 13 1 1 A 53 53 GLU N N 95 117.560 118.130 -0.570 1 1 624 . 13 1 1 A 54 54 GLY H H 96 8.349 8.652 -0.303 1 1 625 . 13 1 1 A 54 54 GLY HA2 H 96 4.120 3.835 0.285 1 1 626 . 13 1 1 A 54 54 GLY HA3 H 96 3.520 3.839 -0.319 1 1 627 . 13 1 1 A 54 54 GLY C C 96 174.264 174.118 0.146 1 1 628 . 13 1 1 A 54 54 GLY CA C 96 44.600 45.562 -0.962 1 1 629 . 13 1 1 A 54 54 GLY N N 96 105.347 105.453 -0.106 1 1 630 . 13 1 1 A 55 55 LYS H H 97 7.400 7.943 -0.543 1 1 631 . 13 1 1 A 55 55 LYS HA H 97 4.386 4.351 0.035 1 1 640 . 13 1 1 A 55 55 LYS C C 97 177.395 176.003 1.392 1 1 641 . 13 1 1 A 55 55 LYS CA C 97 56.797 55.175 1.622 1 1 642 . 13 1 1 A 55 55 LYS CB C 97 30.522 32.084 -1.562 1 1 646 . 13 1 1 A 55 55 LYS N N 97 120.080 120.850 -0.770 1 1 647 . 13 1 1 A 56 56 LYS H H 98 8.510 8.509 0.001 1 1 648 . 13 1 1 A 56 56 LYS HA H 98 3.940 4.475 -0.535 1 1 657 . 13 1 1 A 56 56 LYS C C 98 176.420 176.809 -0.389 1 1 658 . 13 1 1 A 56 56 LYS CA C 98 56.741 57.615 -0.874 1 1 659 . 13 1 1 A 56 56 LYS CB C 98 30.079 32.338 -2.259 1 1 663 . 13 1 1 A 56 56 LYS N N 98 126.202 123.144 3.058 1 1 664 . 13 1 1 A 57 57 ASP H H 99 8.510 8.071 0.439 1 1 665 . 13 1 1 A 57 57 ASP HA H 99 4.570 4.545 0.025 1 1 668 . 13 1 1 A 57 57 ASP C C 99 174.777 176.573 -1.796 1 1 669 . 13 1 1 A 57 57 ASP CA C 99 52.991 55.504 -2.513 1 1 670 . 13 1 1 A 57 57 ASP CB C 99 38.516 40.259 -1.743 1 1 671 . 13 1 1 A 57 57 ASP N N 99 116.900 119.286 -2.386 1 1 672 . 13 1 1 A 58 58 THR H H 100 7.400 7.612 -0.212 1 1 673 . 13 1 1 A 58 58 THR HA H 100 3.971 4.335 -0.364 1 1 678 . 13 1 1 A 58 58 THR C C 100 172.742 174.347 -1.605 1 1 679 . 13 1 1 A 58 58 THR CA C 100 63.360 63.060 0.300 1 1 680 . 13 1 1 A 58 58 THR CB C 100 70.391 69.923 0.468 1 1 682 . 13 1 1 A 58 58 THR N N 100 117.350 116.791 0.559 1 1 683 . 13 1 1 A 59 59 THR H H 101 8.414 8.453 -0.039 1 1 684 . 13 1 1 A 59 59 THR HA H 101 4.174 4.647 -0.473 1 1 689 . 13 1 1 A 59 59 THR C C 101 172.505 174.314 -1.809 1 1 690 . 13 1 1 A 59 59 THR CA C 101 63.829 63.354 0.475 1 1 691 . 13 1 1 A 59 59 THR CB C 101 69.454 68.898 0.556 1 1 693 . 13 1 1 A 59 59 THR N N 101 123.260 121.221 2.039 1 1 694 . 13 1 1 A 60 60 ILE H H 102 8.190 8.581 -0.391 1 1 695 . 13 1 1 A 60 60 ILE HA H 102 4.399 5.064 -0.665 1 1 705 . 13 1 1 A 60 60 ILE C C 102 175.119 175.187 -0.068 1 1 706 . 13 1 1 A 60 60 ILE CA C 102 58.204 60.252 -2.048 1 1 707 . 13 1 1 A 60 60 ILE CB C 102 38.047 40.946 -2.899 1 1 711 . 13 1 1 A 60 60 ILE N N 102 126.467 127.818 -1.351 1 1 712 . 13 1 1 A 61 61 PHE H H 103 8.900 8.694 0.206 1 1 713 . 13 1 1 A 61 61 PHE HA H 103 5.204 4.969 0.235 1 1 720 . 13 1 1 A 61 61 PHE C C 103 174.877 174.882 -0.005 1 1 721 . 13 1 1 A 61 61 PHE CA C 103 57.266 57.352 -0.086 1 1 722 . 13 1 1 A 61 61 PHE CB C 103 40.860 39.715 1.145 1 1 723 . 13 1 1 A 61 61 PHE N N 103 125.650 126.614 -0.964 1 1 724 . 13 1 1 A 62 62 PHE H H 104 9.110 8.757 0.353 1 1 725 . 13 1 1 A 62 62 PHE HA H 104 5.590 5.052 0.538 1 1 732 . 13 1 1 A 62 62 PHE C C 104 174.407 173.764 0.643 1 1 733 . 13 1 1 A 62 62 PHE CA C 104 54.922 56.520 -1.598 1 1 734 . 13 1 1 A 62 62 PHE CB C 104 41.300 41.313 -0.013 1 1 735 . 13 1 1 A 62 62 PHE N N 104 123.447 123.217 0.230 1 1 736 . 13 1 1 A 63 63 ARG H H 105 9.020 9.092 -0.072 1 1 737 . 13 1 1 A 63 63 ARG HA H 105 4.830 4.833 -0.003 1 1 744 . 13 1 1 A 63 63 ARG C C 105 173.862 174.588 -0.726 1 1 745 . 13 1 1 A 63 63 ARG CA C 105 54.453 55.275 -0.822 1 1 746 . 13 1 1 A 63 63 ARG CB C 105 32.422 31.520 0.902 1 1 749 . 13 1 1 A 63 63 ARG N N 105 126.020 128.350 -2.330 1 1 750 . 13 1 1 A 64 64 ALA H H 106 8.640 8.724 -0.084 1 1 751 . 13 1 1 A 64 64 ALA HA H 106 5.223 5.051 0.172 1 1 755 . 13 1 1 A 64 64 ALA C C 106 176.565 176.512 0.053 1 1 756 . 13 1 1 A 64 64 ALA CA C 106 50.235 50.171 0.064 1 1 757 . 13 1 1 A 64 64 ALA CB C 106 22.110 20.407 1.703 1 1 758 . 13 1 1 A 64 64 ALA N N 106 126.540 128.565 -2.025 1 1 759 . 13 1 1 A 65 65 ASP H H 107 7.900 8.307 -0.407 1 1 760 . 13 1 1 A 65 65 ASP HA H 107 4.685 4.447 0.238 1 1 763 . 13 1 1 A 65 65 ASP C C 107 176.987 177.515 -0.528 1 1 764 . 13 1 1 A 65 65 ASP CA C 107 54.453 54.459 -0.006 1 1 765 . 13 1 1 A 65 65 ASP CB C 107 42.209 42.287 -0.078 1 1 766 . 13 1 1 A 65 65 ASP N N 107 121.600 123.083 -1.483 1 1 767 . 13 1 1 A 66 66 LYS H H 108 8.700 8.822 -0.122 1 1 768 . 13 1 1 A 66 66 LYS HA H 108 4.221 4.059 0.162 1 1 777 . 13 1 1 A 66 66 LYS C C 108 177.007 176.854 0.153 1 1 778 . 13 1 1 A 66 66 LYS CA C 108 58.682 58.520 0.162 1 1 779 . 13 1 1 A 66 66 LYS CB C 108 32.422 32.075 0.347 1 1 783 . 13 1 1 A 66 66 LYS N N 108 120.740 121.815 -1.075 1 1 784 . 13 1 1 A 67 67 THR H H 109 8.035 7.585 0.450 1 1 785 . 13 1 1 A 67 67 THR HA H 109 4.270 4.566 -0.296 1 1 790 . 13 1 1 A 67 67 THR C C 109 175.031 173.761 1.270 1 1 791 . 13 1 1 A 67 67 THR CA C 109 62.422 61.197 1.225 1 1 792 . 13 1 1 A 67 67 THR CB C 109 68.985 68.828 0.157 1 1 794 . 13 1 1 A 67 67 THR N N 109 108.086 107.791 0.295 1 1 795 . 13 1 1 A 68 68 VAL H H 110 7.470 7.567 -0.097 1 1 796 . 13 1 1 A 68 68 VAL HA H 110 3.960 4.151 -0.191 1 1 804 . 13 1 1 A 68 68 VAL C C 110 175.691 175.184 0.507 1 1 805 . 13 1 1 A 68 68 VAL CA C 110 63.360 61.946 1.414 1 1 806 . 13 1 1 A 68 68 VAL CB C 110 32.422 33.033 -0.611 1 1 809 . 13 1 1 A 68 68 VAL N N 110 123.270 122.789 0.481 1 1 810 . 13 1 1 A 69 69 ASP H H 111 8.710 8.656 0.054 1 1 811 . 13 1 1 A 69 69 ASP HA H 111 4.645 4.906 -0.261 1 1 814 . 13 1 1 A 69 69 ASP C C 111 176.150 177.331 -1.181 1 1 815 . 13 1 1 A 69 69 ASP CA C 111 53.989 53.293 0.696 1 1 816 . 13 1 1 A 69 69 ASP CB C 111 41.328 41.933 -0.605 1 1 817 . 13 1 1 A 69 69 ASP N N 111 126.170 125.631 0.539 1 1 818 . 13 1 1 A 70 70 TYR H H 112 8.840 9.146 -0.306 1 1 819 . 13 1 1 A 70 70 TYR HA H 112 4.056 4.170 -0.114 1 1 826 . 13 1 1 A 70 70 TYR C C 112 177.075 177.798 -0.723 1 1 827 . 13 1 1 A 70 70 TYR CA C 112 61.890 62.148 -0.258 1 1 828 . 13 1 1 A 70 70 TYR CB C 112 38.980 38.631 0.349 1 1 829 . 13 1 1 A 70 70 TYR N N 112 123.360 123.577 -0.217 1 1 830 . 13 1 1 A 71 71 GLU H H 113 8.550 8.146 0.404 1 1 831 . 13 1 1 A 71 71 GLU HA H 113 3.904 3.830 0.074 1 1 836 . 13 1 1 A 71 71 GLU C C 113 179.338 178.777 0.561 1 1 837 . 13 1 1 A 71 71 GLU CA C 113 59.610 58.806 0.804 1 1 838 . 13 1 1 A 71 71 GLU CB C 113 27.765 29.090 -1.325 1 1 840 . 13 1 1 A 71 71 GLU N N 113 116.730 118.937 -2.207 1 1 841 . 13 1 1 A 72 72 THR H H 114 7.780 7.545 0.235 1 1 842 . 13 1 1 A 72 72 THR HA H 114 4.320 3.994 0.326 1 1 847 . 13 1 1 A 72 72 THR C C 114 175.987 176.381 -0.394 1 1 848 . 13 1 1 A 72 72 THR CA C 114 67.579 66.276 1.303 1 1 849 . 13 1 1 A 72 72 THR CB C 114 66.640 68.722 -2.082 1 1 851 . 13 1 1 A 72 72 THR N N 114 117.340 116.569 0.771 1 1 852 . 13 1 1 A 73 73 LEU H H 115 7.570 7.699 -0.129 1 1 853 . 13 1 1 A 73 73 LEU HA H 115 3.838 4.091 -0.253 1 1 863 . 13 1 1 A 73 73 LEU C C 115 178.670 178.547 0.123 1 1 864 . 13 1 1 A 73 73 LEU CA C 115 58.203 57.907 0.296 1 1 865 . 13 1 1 A 73 73 LEU CB C 115 40.860 41.220 -0.360 1 1 868 . 13 1 1 A 73 73 LEU N N 115 120.510 118.185 2.325 1 1 869 . 13 1 1 A 74 74 MET H H 116 8.280 7.621 0.659 1 1 870 . 13 1 1 A 74 74 MET HA H 116 4.100 4.118 -0.018 1 1 878 . 13 1 1 A 74 74 MET C C 116 178.503 178.159 0.344 1 1 879 . 13 1 1 A 74 74 MET CA C 116 57.210 58.005 -0.795 1 1 880 . 13 1 1 A 74 74 MET CB C 116 32.400 31.910 0.490 1 1 883 . 13 1 1 A 74 74 MET N N 116 116.240 118.903 -2.663 1 1 884 . 13 1 1 A 75 75 LYS H H 117 7.755 7.605 0.150 1 1 885 . 13 1 1 A 75 75 LYS HA H 117 4.146 4.018 0.128 1 1 894 . 13 1 1 A 75 75 LYS C C 117 173.559 179.460 -5.901 1 1 895 . 13 1 1 A 75 75 LYS CA C 117 59.610 59.246 0.364 1 1 896 . 13 1 1 A 75 75 LYS CB C 117 31.495 32.463 -0.968 1 1 900 . 13 1 1 A 75 75 LYS N N 117 120.230 119.351 0.879 1 1 901 . 13 1 1 A 76 76 VAL H H 118 7.880 7.582 0.298 1 1 902 . 13 1 1 A 76 76 VAL HA H 118 3.598 3.887 -0.289 1 1 910 . 13 1 1 A 76 76 VAL C C 118 178.205 178.014 0.191 1 1 911 . 13 1 1 A 76 76 VAL CA C 118 66.641 65.176 1.465 1 1 912 . 13 1 1 A 76 76 VAL CB C 118 31.485 31.686 -0.201 1 1 915 . 13 1 1 A 76 76 VAL N N 118 120.500 115.664 4.836 1 1 916 . 13 1 1 A 77 77 MET H H 119 8.262 8.116 0.146 1 1 917 . 13 1 1 A 77 77 MET HA H 119 3.904 3.985 -0.081 1 1 925 . 13 1 1 A 77 77 MET C C 119 178.200 177.640 0.560 1 1 926 . 13 1 1 A 77 77 MET CA C 119 59.610 58.148 1.462 1 1 927 . 13 1 1 A 77 77 MET CB C 119 32.422 31.597 0.825 1 1 930 . 13 1 1 A 77 77 MET N N 119 118.320 120.248 -1.928 1 1 931 . 13 1 1 A 78 78 ASP H H 120 8.720 7.784 0.936 1 1 932 . 13 1 1 A 78 78 ASP HA H 120 4.400 4.342 0.058 1 1 935 . 13 1 1 A 78 78 ASP C C 120 178.216 179.000 -0.784 1 1 936 . 13 1 1 A 78 78 ASP CA C 120 56.797 57.151 -0.354 1 1 937 . 13 1 1 A 78 78 ASP CB C 120 38.980 40.523 -1.543 1 1 938 . 13 1 1 A 78 78 ASP N N 120 117.800 119.180 -1.380 1 1 939 . 13 1 1 A 79 79 THR H H 121 8.040 7.725 0.315 1 1 940 . 13 1 1 A 79 79 THR HA H 121 3.939 3.932 0.007 1 1 945 . 13 1 1 A 79 79 THR C C 121 176.582 177.370 -0.788 1 1 946 . 13 1 1 A 79 79 THR CA C 121 66.641 67.440 -0.799 1 1 947 . 13 1 1 A 79 79 THR CB C 121 68.516 69.055 -0.539 1 1 949 . 13 1 1 A 79 79 THR N N 121 118.470 117.027 1.443 1 1 950 . 13 1 1 A 80 80 LEU H H 122 7.931 7.839 0.092 1 1 951 . 13 1 1 A 80 80 LEU HA H 122 4.136 4.183 -0.047 1 1 961 . 13 1 1 A 80 80 LEU C C 122 178.936 179.212 -0.276 1 1 962 . 13 1 1 A 80 80 LEU CA C 122 58.672 58.093 0.579 1 1 963 . 13 1 1 A 80 80 LEU CB C 122 41.328 41.186 0.142 1 1 967 . 13 1 1 A 80 80 LEU N N 122 121.676 118.034 3.642 1 1 968 . 13 1 1 A 81 81 HIS H H 123 8.825 7.865 0.960 1 1 969 . 13 1 1 A 81 81 HIS HA H 123 4.455 4.234 0.221 1 1 974 . 13 1 1 A 81 81 HIS C C 123 179.780 177.761 2.019 1 1 975 . 13 1 1 A 81 81 HIS CA C 123 57.732 59.498 -1.766 1 1 976 . 13 1 1 A 81 81 HIS CB C 123 28.672 29.925 -1.253 1 1 977 . 13 1 1 A 81 81 HIS N N 123 117.910 118.664 -0.754 1 1 978 . 13 1 1 A 82 82 GLN H H 124 8.740 7.752 0.988 1 1 979 . 13 1 1 A 82 82 GLN HA H 124 4.092 4.040 0.052 1 1 984 . 13 1 1 A 82 82 GLN C C 124 177.091 177.287 -0.196 1 1 985 . 13 1 1 A 82 82 GLN CA C 124 58.672 58.368 0.304 1 1 986 . 13 1 1 A 82 82 GLN CB C 124 28.204 28.116 0.088 1 1 988 . 13 1 1 A 82 82 GLN N N 124 120.420 116.603 3.817 1 1 989 . 13 1 1 A 83 83 ALA H H 125 7.330 7.294 0.036 1 1 990 . 13 1 1 A 83 83 ALA HA H 125 4.495 4.328 0.167 1 1 994 . 13 1 1 A 83 83 ALA C C 125 176.371 177.961 -1.590 1 1 995 . 13 1 1 A 83 83 ALA CA C 125 52.110 51.639 0.471 1 1 996 . 13 1 1 A 83 83 ALA CB C 125 19.756 18.677 1.079 1 1 997 . 13 1 1 A 83 83 ALA N N 125 119.130 118.928 0.202 1 1 998 . 13 1 1 A 84 84 GLY H H 126 7.780 8.105 -0.325 1 1 999 . 13 1 1 A 84 84 GLY HA2 H 126 4.111 3.831 0.280 1 1 1000 . 13 1 1 A 84 84 GLY HA3 H 126 3.505 3.894 -0.389 1 1 1001 . 13 1 1 A 84 84 GLY C C 126 173.562 173.841 -0.279 1 1 1002 . 13 1 1 A 84 84 GLY CA C 126 44.610 46.366 -1.756 1 1 1003 . 13 1 1 A 84 84 GLY N N 126 104.120 107.570 -3.450 1 1 1004 . 13 1 1 A 85 85 TYR H H 127 7.910 8.301 -0.391 1 1 1005 . 13 1 1 A 85 85 TYR HA H 127 4.551 4.154 0.397 1 1 1012 . 13 1 1 A 85 85 TYR C C 127 177.192 175.767 1.425 1 1 1013 . 13 1 1 A 85 85 TYR CA C 127 59.610 58.029 1.581 1 1 1014 . 13 1 1 A 85 85 TYR CB C 127 37.110 36.464 0.646 1 1 1015 . 13 1 1 A 85 85 TYR N N 127 120.310 122.103 -1.793 1 1 1016 . 13 1 1 A 86 86 LEU H H 128 7.835 8.311 -0.476 1 1 1017 . 13 1 1 A 86 86 LEU HA H 128 4.357 4.541 -0.184 1 1 1027 . 13 1 1 A 86 86 LEU C C 128 178.503 176.081 2.422 1 1 1028 . 13 1 1 A 86 86 LEU CA C 128 54.456 54.246 0.210 1 1 1029 . 13 1 1 A 86 86 LEU CB C 128 43.203 42.527 0.676 1 1 1033 . 13 1 1 A 86 86 LEU N N 128 120.100 121.166 -1.066 1 1 1034 . 13 1 1 A 87 87 LYS H H 129 9.330 7.851 1.479 1 1 1035 . 13 1 1 A 87 87 LYS HA H 129 4.512 4.609 -0.097 1 1 1044 . 13 1 1 A 87 87 LYS C C 129 173.251 174.847 -1.596 1 1 1045 . 13 1 1 A 87 87 LYS CA C 129 54.922 55.461 -0.539 1 1 1046 . 13 1 1 A 87 87 LYS CB C 129 31.000 33.352 -2.352 1 1 1050 . 13 1 1 A 87 87 LYS N N 129 125.180 118.795 6.385 1 1 1051 . 13 1 1 A 88 88 ILE H H 130 7.589 8.309 -0.720 1 1 1052 . 13 1 1 A 88 88 ILE HA H 130 5.015 4.856 0.159 1 1 1062 . 13 1 1 A 88 88 ILE C C 130 176.481 175.688 0.793 1 1 1063 . 13 1 1 A 88 88 ILE CA C 130 58.672 59.645 -0.973 1 1 1064 . 13 1 1 A 88 88 ILE CB C 130 40.391 39.397 0.994 1 1 1068 . 13 1 1 A 88 88 ILE N N 130 122.487 125.449 -2.962 1 1 1069 . 13 1 1 A 89 89 GLY H H 131 8.960 8.862 0.098 1 1 1070 . 13 1 1 A 89 89 GLY HA2 H 131 4.543 3.292 1.251 1 1 1071 . 13 1 1 A 89 89 GLY HA3 H 131 3.488 3.769 -0.281 1 1 1072 . 13 1 1 A 89 89 GLY C C 131 171.936 172.084 -0.148 1 1 1073 . 13 1 1 A 89 89 GLY CA C 131 44.610 45.020 -0.410 1 1 1074 . 13 1 1 A 89 89 GLY N N 131 115.300 115.674 -0.374 1 1 1075 . 13 1 1 A 90 90 LEU H H 132 8.610 9.022 -0.412 1 1 1076 . 13 1 1 A 90 90 LEU HA H 132 5.061 4.700 0.361 1 1 1086 . 13 1 1 A 90 90 LEU C C 132 177.246 176.632 0.614 1 1 1087 . 13 1 1 A 90 90 LEU CA C 132 54.453 53.458 0.995 1 1 1088 . 13 1 1 A 90 90 LEU CB C 132 42.735 41.576 1.159 1 1 1092 . 13 1 1 A 90 90 LEU N N 132 124.560 124.857 -0.297 1 1 1093 . 13 1 1 A 91 91 VAL H H 133 8.630 8.472 0.158 1 1 1094 . 13 1 1 A 91 91 VAL HA H 133 4.299 3.893 0.406 1 1 1102 . 13 1 1 A 91 91 VAL C C 133 176.296 177.166 -0.870 1 1 1103 . 13 1 1 A 91 91 VAL CA C 133 61.953 63.645 -1.692 1 1 1104 . 13 1 1 A 91 91 VAL CB C 133 33.360 31.745 1.615 1 1 1107 . 13 1 1 A 91 91 VAL N N 133 123.280 125.864 -2.584 1 1 1108 . 13 1 1 A 92 92 GLY H H 134 8.620 9.187 -0.567 1 1 1109 . 13 1 1 A 92 92 GLY HA2 H 134 4.154 3.974 0.180 1 1 1110 . 13 1 1 A 92 92 GLY HA3 H 134 4.007 3.981 0.026 1 1 1111 . 13 1 1 A 92 92 GLY C C 134 174.157 174.657 -0.500 1 1 1112 . 13 1 1 A 92 92 GLY CA C 134 45.097 46.770 -1.673 1 1 1113 . 13 1 1 A 92 92 GLY N N 134 112.500 116.538 -4.038 1 1 1114 . 13 1 1 A 93 93 GLU H H 135 8.278 8.355 -0.077 1 1 1115 . 13 1 1 A 93 93 GLU HA H 135 4.387 4.463 -0.076 1 1 1120 . 13 1 1 A 93 93 GLU C C 135 176.500 174.716 1.784 1 1 1121 . 13 1 1 A 93 93 GLU CA C 135 56.797 55.661 1.136 1 1 1122 . 13 1 1 A 93 93 GLU CB C 135 29.141 28.319 0.822 1 1 1124 . 13 1 1 A 93 93 GLU N N 135 119.460 119.744 -0.284 1 1 1125 . 13 1 1 A 94 94 GLU H H 136 8.680 7.534 1.146 1 1 1126 . 13 1 1 A 94 94 GLU HA H 136 4.387 4.941 -0.554 1 1 1131 . 13 1 1 A 94 94 GLU C C 136 176.970 174.390 2.580 1 1 1132 . 13 1 1 A 94 94 GLU CA C 136 56.797 54.595 2.202 1 1 1133 . 13 1 1 A 94 94 GLU CB C 136 29.141 33.737 -4.596 1 1 1135 . 13 1 1 A 94 94 GLU N N 136 121.740 120.364 1.376 1 1 1136 . 13 1 1 A 95 95 THR H H 137 8.221 8.810 -0.589 1 1 1137 . 13 1 1 A 95 95 THR HA H 137 4.228 5.255 -1.027 1 1 1142 . 13 1 1 A 95 95 THR C C 137 174.880 172.327 2.553 1 1 1143 . 13 1 1 A 95 95 THR CA C 137 62.422 59.713 2.709 1 1 1144 . 13 1 1 A 95 95 THR CB C 137 69.454 72.458 -3.004 1 1 1146 . 13 1 1 A 95 95 THR N N 137 115.380 118.006 -2.626 1 1 1147 . 13 1 1 A 96 96 ALA H H 138 8.311 8.548 -0.237 1 1 1148 . 13 1 1 A 96 96 ALA HA H 138 4.233 4.566 -0.333 1 1 1152 . 13 1 1 A 96 96 ALA C C 138 178.469 176.475 1.994 1 1 1153 . 13 1 1 A 96 96 ALA CA C 138 53.516 50.929 2.587 1 1 1154 . 13 1 1 A 96 96 ALA CB C 138 18.828 22.231 -3.403 1 1 1155 . 13 1 1 A 96 96 ALA N N 138 125.688 126.661 -0.973 1 1 1156 . 13 1 1 A 97 97 LYS H H 139 8.210 8.816 -0.606 1 1 1157 . 13 1 1 A 97 97 LYS HA H 139 4.163 3.909 0.254 1 1 1166 . 13 1 1 A 97 97 LYS C C 139 177.154 175.427 1.727 1 1 1167 . 13 1 1 A 97 97 LYS CA C 139 57.265 57.428 -0.163 1 1 1168 . 13 1 1 A 97 97 LYS CB C 139 32.891 31.419 1.472 1 1 1172 . 13 1 1 A 97 97 LYS N N 139 120.110 118.062 2.048 1 1 1173 . 13 1 1 A 98 98 ALA H H 140 8.170 8.108 0.062 1 1 1174 . 13 1 1 A 98 98 ALA HA H 140 4.209 4.995 -0.786 1 1 1178 . 13 1 1 A 98 98 ALA C C 140 178.469 175.696 2.773 1 1 1179 . 13 1 1 A 98 98 ALA CA C 140 53.516 52.040 1.476 1 1 1180 . 13 1 1 A 98 98 ALA CB C 140 18.828 20.867 -2.039 1 1 1181 . 13 1 1 A 98 98 ALA N N 140 124.210 125.895 -1.685 1 1 1 . 14 1 1 A 2 2 ASP H H 44 8.930 9.081 -0.151 1 1 2 . 14 1 1 A 2 2 ASP HA H 44 4.860 4.920 -0.060 1 1 5 . 14 1 1 A 2 2 ASP C C 44 175.278 175.818 -0.540 1 1 6 . 14 1 1 A 2 2 ASP CA C 44 53.516 54.369 -0.853 1 1 7 . 14 1 1 A 2 2 ASP CB C 44 39.397 42.297 -2.900 1 1 8 . 14 1 1 A 2 2 ASP N N 44 122.920 125.840 -2.920 1 1 9 . 14 1 1 A 3 3 VAL H H 45 8.329 8.882 -0.553 1 1 10 . 14 1 1 A 3 3 VAL HA H 45 4.120 4.917 -0.797 1 1 18 . 14 1 1 A 3 3 VAL C C 45 175.938 174.157 1.781 1 1 19 . 14 1 1 A 3 3 VAL CA C 45 62.422 59.059 3.363 1 1 20 . 14 1 1 A 3 3 VAL CB C 45 32.300 36.259 -3.959 1 1 23 . 14 1 1 A 3 3 VAL N N 45 121.541 118.179 3.362 1 1 24 . 14 1 1 A 4 4 LYS H H 46 8.400 8.903 -0.503 1 1 25 . 14 1 1 A 4 4 LYS HA H 46 4.387 5.217 -0.830 1 1 34 . 14 1 1 A 4 4 LYS C C 46 176.333 174.660 1.673 1 1 35 . 14 1 1 A 4 4 LYS CA C 46 56.270 54.774 1.496 1 1 36 . 14 1 1 A 4 4 LYS CB C 46 32.874 36.060 -3.186 1 1 40 . 14 1 1 A 4 4 LYS N N 46 125.410 121.426 3.984 1 1 42 . 14 1 1 A 5 5 VAL H H 47 8.190 8.632 -0.442 1 1 43 . 14 1 1 A 5 5 VAL HA H 47 4.118 5.049 -0.931 1 1 51 . 14 1 1 A 5 5 VAL C C 47 175.567 173.753 1.814 1 1 52 . 14 1 1 A 5 5 VAL CA C 47 61.954 58.841 3.113 1 1 53 . 14 1 1 A 5 5 VAL CB C 47 32.443 36.349 -3.906 1 1 56 . 14 1 1 A 5 5 VAL N N 47 121.672 118.435 3.237 1 1 57 . 14 1 1 A 6 6 ASN H H 48 8.571 8.859 -0.288 1 1 58 . 14 1 1 A 6 6 ASN HA H 48 4.750 5.297 -0.547 1 1 61 . 14 1 1 A 6 6 ASN C C 48 174.566 174.739 -0.173 1 1 62 . 14 1 1 A 6 6 ASN CA C 48 53.047 51.938 1.109 1 1 63 . 14 1 1 A 6 6 ASN CB C 48 38.901 42.092 -3.191 1 1 64 . 14 1 1 A 6 6 ASN N N 48 123.230 118.250 4.980 1 1 65 . 14 1 1 A 7 7 LEU H H 49 8.286 8.688 -0.402 1 1 66 . 14 1 1 A 7 7 LEU HA H 49 4.632 4.571 0.061 1 1 76 . 14 1 1 A 7 7 LEU C C 49 175.162 174.645 0.517 1 1 77 . 14 1 1 A 7 7 LEU CA C 49 53.047 53.226 -0.179 1 1 78 . 14 1 1 A 7 7 LEU CB C 49 41.825 40.932 0.893 1 1 82 . 14 1 1 A 7 7 LEU N N 49 124.491 126.515 -2.024 1 1 83 . 14 1 1 A 8 8 PRO HA H 50 4.443 4.621 -0.178 1 1 90 . 14 1 1 A 8 8 PRO C C 50 176.734 175.479 1.255 1 1 91 . 14 1 1 A 8 8 PRO CA C 50 62.903 62.525 0.378 1 1 92 . 14 1 1 A 8 8 PRO CB C 50 31.839 33.091 -1.252 1 1 95 . 14 1 1 A 9 9 ALA H H 51 8.424 8.251 0.173 1 1 96 . 14 1 1 A 9 9 ALA HA H 51 4.330 4.561 -0.231 1 1 100 . 14 1 1 A 9 9 ALA C C 51 178.124 176.495 1.629 1 1 101 . 14 1 1 A 9 9 ALA CA C 51 52.578 51.122 1.456 1 1 102 . 14 1 1 A 9 9 ALA CB C 51 19.297 21.789 -2.492 1 1 103 . 14 1 1 A 9 9 ALA N N 51 124.364 120.511 3.853 1 1 104 . 14 1 1 A 10 10 SER H H 52 8.380 8.560 -0.180 1 1 105 . 14 1 1 A 10 10 SER HA H 52 4.223 4.553 -0.330 1 1 108 . 14 1 1 A 10 10 SER C C 52 174.982 172.585 2.397 1 1 109 . 14 1 1 A 10 10 SER CA C 52 58.672 58.201 0.471 1 1 110 . 14 1 1 A 10 10 SER CB C 52 63.829 62.277 1.552 1 1 111 . 14 1 1 A 10 10 SER N N 52 114.800 113.527 1.273 1 1 112 . 14 1 1 A 11 11 THR H H 53 8.227 8.408 -0.181 1 1 113 . 14 1 1 A 11 11 THR HA H 53 4.478 5.268 -0.790 1 1 118 . 14 1 1 A 11 11 THR C C 53 174.612 172.594 2.018 1 1 119 . 14 1 1 A 11 11 THR CA C 53 61.922 60.563 1.359 1 1 120 . 14 1 1 A 11 11 THR CB C 53 69.922 72.038 -2.116 1 1 122 . 14 1 1 A 11 11 THR N N 53 115.236 113.613 1.623 1 1 123 . 14 1 1 A 12 12 SER H H 54 8.330 8.639 -0.309 1 1 124 . 14 1 1 A 12 12 SER HA H 54 4.559 5.180 -0.621 1 1 127 . 14 1 1 A 12 12 SER C C 54 174.299 172.943 1.356 1 1 128 . 14 1 1 A 12 12 SER CA C 54 58.204 57.439 0.765 1 1 129 . 14 1 1 A 12 12 SER CB C 54 63.891 66.381 -2.490 1 1 130 . 14 1 1 A 12 12 SER N N 54 117.770 114.196 3.574 1 1 131 . 14 1 1 A 13 13 THR H H 55 8.274 8.813 -0.539 1 1 132 . 14 1 1 A 13 13 THR HA H 55 4.624 4.972 -0.348 1 1 137 . 14 1 1 A 13 13 THR C C 55 170.400 171.639 -1.239 1 1 138 . 14 1 1 A 13 13 THR CA C 55 60.079 59.360 0.719 1 1 139 . 14 1 1 A 13 13 THR CB C 55 69.922 69.521 0.401 1 1 141 . 14 1 1 A 13 13 THR N N 55 118.865 116.832 2.033 1 1 142 . 14 1 1 A 14 14 PRO HA H 56 4.458 4.738 -0.280 1 1 149 . 14 1 1 A 14 14 PRO C C 56 176.748 175.545 1.203 1 1 150 . 14 1 1 A 14 14 PRO CA C 56 63.076 62.410 0.666 1 1 151 . 14 1 1 A 14 14 PRO CB C 56 32.043 33.465 -1.422 1 1 154 . 14 1 1 A 15 15 GLN H H 57 8.547 8.383 0.164 1 1 155 . 14 1 1 A 15 15 GLN HA H 57 4.620 4.993 -0.373 1 1 160 . 14 1 1 A 15 15 GLN CA C 57 53.600 53.451 0.149 1 1 161 . 14 1 1 A 15 15 GLN CB C 57 29.141 29.717 -0.576 1 1 163 . 14 1 1 A 15 15 GLN N N 57 122.041 120.015 2.026 1 1 165 . 14 1 1 A 16 16 PRO HA H 58 4.458 4.708 -0.250 1 1 172 . 14 1 1 A 16 16 PRO C C 58 176.620 175.451 1.169 1 1 173 . 14 1 1 A 16 16 PRO CA C 58 62.872 62.371 0.501 1 1 174 . 14 1 1 A 16 16 PRO CB C 58 32.111 33.184 -1.073 1 1 177 . 14 1 1 A 17 17 ARG H H 59 8.511 8.378 0.133 1 1 178 . 14 1 1 A 17 17 ARG HA H 59 4.643 4.955 -0.312 1 1 185 . 14 1 1 A 17 17 ARG CA C 59 53.985 53.809 0.176 1 1 186 . 14 1 1 A 17 17 ARG CB C 59 30.195 31.136 -0.941 1 1 189 . 14 1 1 A 17 17 ARG N N 59 122.731 120.555 2.176 1 1 190 . 14 1 1 A 18 18 PRO HA H 60 4.458 4.530 -0.072 1 1 197 . 14 1 1 A 18 18 PRO C C 60 176.892 176.838 0.054 1 1 198 . 14 1 1 A 18 18 PRO CA C 60 62.940 62.734 0.206 1 1 199 . 14 1 1 A 18 18 PRO CB C 60 32.891 32.690 0.201 1 1 202 . 14 1 1 A 19 19 GLU H H 61 8.480 8.851 -0.371 1 1 203 . 14 1 1 A 19 19 GLU HA H 61 4.391 3.890 0.501 1 1 208 . 14 1 1 A 19 19 GLU C C 61 176.174 175.075 1.099 1 1 209 . 14 1 1 A 19 19 GLU CA C 61 54.922 57.188 -2.266 1 1 210 . 14 1 1 A 19 19 GLU CB C 61 29.141 28.500 0.641 1 1 212 . 14 1 1 A 19 19 GLU N N 61 120.840 116.520 4.320 1 1 213 . 14 1 1 A 20 20 LYS H H 62 8.502 7.839 0.663 1 1 214 . 14 1 1 A 20 20 LYS HA H 62 4.620 4.759 -0.139 1 1 223 . 14 1 1 A 20 20 LYS C C 62 171.420 173.755 -2.335 1 1 224 . 14 1 1 A 20 20 LYS CA C 62 54.827 53.125 1.702 1 1 225 . 14 1 1 A 20 20 LYS CB C 62 32.422 35.170 -2.748 1 1 229 . 14 1 1 A 20 20 LYS N N 62 125.117 118.770 6.347 1 1 230 . 14 1 1 A 21 21 PRO HA H 63 4.448 4.629 -0.181 1 1 237 . 14 1 1 A 21 21 PRO CA C 63 62.261 62.528 -0.267 1 1 238 . 14 1 1 A 21 21 PRO CB C 63 32.422 32.534 -0.112 1 1 241 . 14 1 1 A 22 22 VAL H H 64 8.570 8.308 0.262 1 1 242 . 14 1 1 A 22 22 VAL HA H 64 4.097 4.685 -0.588 1 1 250 . 14 1 1 A 22 22 VAL C C 64 173.862 174.287 -0.425 1 1 251 . 14 1 1 A 22 22 VAL CA C 64 61.000 60.949 0.051 1 1 252 . 14 1 1 A 22 22 VAL CB C 64 33.770 33.801 -0.031 1 1 255 . 14 1 1 A 22 22 VAL N N 64 120.453 121.377 -0.924 1 1 256 . 14 1 1 A 23 23 TYR H H 65 8.600 9.101 -0.501 1 1 257 . 14 1 1 A 23 23 TYR HA H 65 5.207 5.448 -0.241 1 1 264 . 14 1 1 A 23 23 TYR C C 65 174.916 173.919 0.997 1 1 265 . 14 1 1 A 23 23 TYR CA C 65 57.210 56.090 1.120 1 1 266 . 14 1 1 A 23 23 TYR CB C 65 39.454 42.029 -2.575 1 1 267 . 14 1 1 A 23 23 TYR N N 65 124.580 128.854 -4.274 1 1 268 . 14 1 1 A 24 24 LEU H H 66 9.186 9.160 0.026 1 1 269 . 14 1 1 A 24 24 LEU HA H 66 5.261 5.285 -0.024 1 1 279 . 14 1 1 A 24 24 LEU C C 66 175.491 176.394 -0.903 1 1 280 . 14 1 1 A 24 24 LEU CA C 66 53.516 53.789 -0.273 1 1 281 . 14 1 1 A 24 24 LEU CB C 66 45.078 44.248 0.830 1 1 285 . 14 1 1 A 24 24 LEU N N 66 128.669 128.078 0.591 1 1 286 . 14 1 1 A 25 25 SER H H 67 9.300 9.019 0.281 1 1 287 . 14 1 1 A 25 25 SER HA H 67 5.637 5.405 0.232 1 1 290 . 14 1 1 A 25 25 SER C C 67 173.470 173.511 -0.041 1 1 291 . 14 1 1 A 25 25 SER CA C 67 56.784 57.736 -0.952 1 1 292 . 14 1 1 A 25 25 SER CB C 67 65.267 65.032 0.235 1 1 293 . 14 1 1 A 25 25 SER N N 67 120.290 121.454 -1.164 1 1 294 . 14 1 1 A 26 26 VAL H H 68 8.600 8.821 -0.221 1 1 295 . 14 1 1 A 26 26 VAL HA H 68 4.847 5.287 -0.440 1 1 303 . 14 1 1 A 26 26 VAL C C 68 175.205 174.726 0.479 1 1 304 . 14 1 1 A 26 26 VAL CA C 68 60.950 60.198 0.752 1 1 305 . 14 1 1 A 26 26 VAL CB C 68 33.770 34.303 -0.533 1 1 308 . 14 1 1 A 26 26 VAL N N 68 123.723 124.367 -0.644 1 1 309 . 14 1 1 A 27 27 LYS H H 69 8.760 8.692 0.068 1 1 310 . 14 1 1 A 27 27 LYS HA H 69 4.630 4.838 -0.208 1 1 319 . 14 1 1 A 27 27 LYS C C 69 176.007 174.987 1.020 1 1 320 . 14 1 1 A 27 27 LYS CA C 69 62.400 55.189 7.211 1 1 321 . 14 1 1 A 27 27 LYS CB C 69 33.820 35.039 -1.219 1 1 325 . 14 1 1 A 27 27 LYS N N 69 126.000 121.947 4.053 1 1 326 . 14 1 1 A 28 28 ALA H H 70 8.728 9.270 -0.542 1 1 327 . 14 1 1 A 28 28 ALA HA H 70 4.018 4.007 0.011 1 1 331 . 14 1 1 A 28 28 ALA C C 70 177.852 176.285 1.567 1 1 332 . 14 1 1 A 28 28 ALA CA C 70 53.985 52.941 1.044 1 1 333 . 14 1 1 A 28 28 ALA CB C 70 19.297 17.907 1.390 1 1 334 . 14 1 1 A 28 28 ALA N N 70 124.480 122.391 2.089 1 1 335 . 14 1 1 A 29 29 ASP H H 71 8.256 8.762 -0.506 1 1 336 . 14 1 1 A 29 29 ASP HA H 71 4.497 4.324 0.173 1 1 339 . 14 1 1 A 29 29 ASP C C 71 176.455 175.452 1.003 1 1 340 . 14 1 1 A 29 29 ASP CA C 71 53.985 55.566 -1.581 1 1 341 . 14 1 1 A 29 29 ASP CB C 71 39.315 39.416 -0.101 1 1 342 . 14 1 1 A 29 29 ASP N N 71 118.722 120.002 -1.280 1 1 343 . 14 1 1 A 30 30 ASN H H 72 8.380 8.528 -0.148 1 1 344 . 14 1 1 A 30 30 ASN HA H 72 4.374 4.254 0.120 1 1 349 . 14 1 1 A 30 30 ASN C C 72 174.641 174.056 0.585 1 1 350 . 14 1 1 A 30 30 ASN CA C 72 54.453 54.687 -0.234 1 1 351 . 14 1 1 A 30 30 ASN CB C 72 37.579 36.880 0.699 1 1 352 . 14 1 1 A 30 30 ASN N N 72 113.000 109.172 3.828 1 1 353 . 14 1 1 A 31 31 SER H H 73 7.710 7.747 -0.037 1 1 354 . 14 1 1 A 31 31 SER HA H 73 4.404 4.715 -0.311 1 1 357 . 14 1 1 A 31 31 SER C C 73 172.527 173.845 -1.318 1 1 358 . 14 1 1 A 31 31 SER CA C 73 58.672 57.423 1.249 1 1 359 . 14 1 1 A 31 31 SER CB C 73 63.303 64.386 -1.083 1 1 360 . 14 1 1 A 31 31 SER N N 73 115.080 112.180 2.900 1 1 361 . 14 1 1 A 32 32 MET H H 74 8.065 8.706 -0.641 1 1 362 . 14 1 1 A 32 32 MET HA H 74 5.573 5.242 0.331 1 1 370 . 14 1 1 A 32 32 MET C C 74 174.974 175.740 -0.766 1 1 371 . 14 1 1 A 32 32 MET CA C 74 54.397 54.294 0.103 1 1 372 . 14 1 1 A 32 32 MET CB C 74 37.579 32.345 5.234 1 1 375 . 14 1 1 A 32 32 MET N N 74 121.780 124.984 -3.204 1 1 376 . 14 1 1 A 33 33 PHE H H 75 8.900 9.174 -0.274 1 1 377 . 14 1 1 A 33 33 PHE HA H 75 5.190 4.922 0.268 1 1 384 . 14 1 1 A 33 33 PHE C C 75 175.228 174.387 0.841 1 1 385 . 14 1 1 A 33 33 PHE CA C 75 56.797 57.658 -0.861 1 1 386 . 14 1 1 A 33 33 PHE CB C 75 44.141 40.709 3.432 1 1 387 . 14 1 1 A 33 33 PHE N N 75 118.800 123.734 -4.934 1 1 388 . 14 1 1 A 34 34 ILE H H 76 8.830 8.476 0.354 1 1 389 . 14 1 1 A 34 34 ILE HA H 76 4.851 4.491 0.360 1 1 399 . 14 1 1 A 34 34 ILE C C 76 177.606 176.699 0.907 1 1 400 . 14 1 1 A 34 34 ILE CA C 76 59.610 60.978 -1.368 1 1 401 . 14 1 1 A 34 34 ILE CB C 76 37.990 38.126 -0.136 1 1 405 . 14 1 1 A 34 34 ILE N N 76 121.330 128.367 -7.037 1 1 406 . 14 1 1 A 35 35 GLY H H 77 9.177 8.726 0.451 1 1 407 . 14 1 1 A 35 35 GLY HA2 H 77 4.139 3.833 0.306 1 1 408 . 14 1 1 A 35 35 GLY HA3 H 77 3.742 3.839 -0.097 1 1 409 . 14 1 1 A 35 35 GLY C C 77 174.757 175.221 -0.464 1 1 410 . 14 1 1 A 35 35 GLY CA C 77 47.422 46.781 0.641 1 1 411 . 14 1 1 A 35 35 GLY N N 77 118.894 111.815 7.079 1 1 412 . 14 1 1 A 36 36 ASN H H 78 9.170 8.989 0.181 1 1 413 . 14 1 1 A 36 36 ASN HA H 78 4.846 4.456 0.390 1 1 416 . 14 1 1 A 36 36 ASN C C 78 174.867 173.952 0.915 1 1 417 . 14 1 1 A 36 36 ASN CA C 78 52.578 54.583 -2.005 1 1 418 . 14 1 1 A 36 36 ASN CB C 78 38.985 38.094 0.891 1 1 419 . 14 1 1 A 36 36 ASN N N 78 125.494 123.158 2.336 1 1 420 . 14 1 1 A 37 37 ASP H H 79 8.590 8.390 0.200 1 1 421 . 14 1 1 A 37 37 ASP HA H 79 5.330 5.136 0.194 1 1 424 . 14 1 1 A 37 37 ASP C C 79 173.009 172.929 0.080 1 1 425 . 14 1 1 A 37 37 ASP CA C 79 51.172 51.537 -0.365 1 1 426 . 14 1 1 A 37 37 ASP CB C 79 39.922 41.628 -1.706 1 1 427 . 14 1 1 A 37 37 ASP N N 79 121.409 118.088 3.321 1 1 428 . 14 1 1 A 38 38 PRO HA H 80 4.320 4.441 -0.121 1 1 435 . 14 1 1 A 38 38 PRO C C 80 176.862 176.335 0.527 1 1 436 . 14 1 1 A 38 38 PRO CA C 80 62.422 62.358 0.064 1 1 437 . 14 1 1 A 38 38 PRO CB C 80 32.890 31.484 1.406 1 1 440 . 14 1 1 A 39 39 VAL H H 81 8.001 8.048 -0.047 1 1 441 . 14 1 1 A 39 39 VAL HA H 81 4.522 5.084 -0.562 1 1 449 . 14 1 1 A 39 39 VAL C C 81 173.912 173.945 -0.033 1 1 450 . 14 1 1 A 39 39 VAL CA C 81 59.141 59.394 -0.253 1 1 451 . 14 1 1 A 39 39 VAL CB C 81 36.172 36.599 -0.427 1 1 454 . 14 1 1 A 39 39 VAL N N 81 115.450 116.726 -1.276 1 1 455 . 14 1 1 A 40 40 THR H H 82 7.672 8.556 -0.884 1 1 456 . 14 1 1 A 40 40 THR HA H 82 4.746 4.987 -0.241 1 1 461 . 14 1 1 A 40 40 THR C C 82 175.692 174.404 1.288 1 1 462 . 14 1 1 A 40 40 THR CA C 82 59.121 59.415 -0.294 1 1 463 . 14 1 1 A 40 40 THR CB C 82 72.735 72.239 0.496 1 1 465 . 14 1 1 A 40 40 THR N N 82 110.320 110.093 0.227 1 1 466 . 14 1 1 A 41 41 ASP H H 83 9.370 9.073 0.297 1 1 467 . 14 1 1 A 41 41 ASP HA H 83 4.314 4.532 -0.218 1 1 470 . 14 1 1 A 41 41 ASP C C 83 176.943 177.505 -0.562 1 1 471 . 14 1 1 A 41 41 ASP CA C 83 56.797 55.825 0.972 1 1 472 . 14 1 1 A 41 41 ASP CB C 83 38.047 39.938 -1.891 1 1 473 . 14 1 1 A 41 41 ASP N N 83 118.710 121.280 -2.570 1 1 474 . 14 1 1 A 42 42 GLU H H 84 8.228 8.119 0.109 1 1 475 . 14 1 1 A 42 42 GLU HA H 84 4.336 4.269 0.067 1 1 480 . 14 1 1 A 42 42 GLU C C 84 177.827 177.833 -0.006 1 1 481 . 14 1 1 A 42 42 GLU CA C 84 58.204 58.059 0.145 1 1 482 . 14 1 1 A 42 42 GLU CB C 84 29.141 30.083 -0.942 1 1 484 . 14 1 1 A 42 42 GLU N N 84 115.213 118.758 -3.545 1 1 485 . 14 1 1 A 43 43 THR H H 85 7.510 7.875 -0.365 1 1 486 . 14 1 1 A 43 43 THR HA H 85 4.664 4.669 -0.005 1 1 491 . 14 1 1 A 43 43 THR C C 85 175.799 175.541 0.258 1 1 492 . 14 1 1 A 43 43 THR CA C 85 61.395 61.164 0.231 1 1 493 . 14 1 1 A 43 43 THR CB C 85 70.391 69.285 1.106 1 1 495 . 14 1 1 A 43 43 THR N N 85 108.315 113.736 -5.421 1 1 496 . 14 1 1 A 44 44 MET H H 86 7.900 8.386 -0.486 1 1 497 . 14 1 1 A 44 44 MET HA H 86 3.820 4.251 -0.431 1 1 505 . 14 1 1 A 44 44 MET C C 86 176.605 179.037 -2.432 1 1 506 . 14 1 1 A 44 44 MET CA C 86 60.547 58.413 2.134 1 1 507 . 14 1 1 A 44 44 MET CB C 86 32.422 32.315 0.107 1 1 510 . 14 1 1 A 44 44 MET N N 86 121.500 120.119 1.381 1 1 511 . 14 1 1 A 45 45 ILE H H 87 8.430 7.880 0.550 1 1 512 . 14 1 1 A 45 45 ILE HA H 87 3.686 3.823 -0.137 1 1 522 . 14 1 1 A 45 45 ILE C C 87 177.773 178.009 -0.236 1 1 523 . 14 1 1 A 45 45 ILE CA C 87 62.934 64.733 -1.799 1 1 524 . 14 1 1 A 45 45 ILE CB C 87 34.766 38.062 -3.296 1 1 528 . 14 1 1 A 45 45 ILE N N 87 117.970 121.879 -3.909 1 1 529 . 14 1 1 A 46 46 THR H H 88 8.070 8.209 -0.139 1 1 530 . 14 1 1 A 46 46 THR HA H 88 3.953 4.058 -0.105 1 1 535 . 14 1 1 A 46 46 THR C C 88 177.011 177.117 -0.106 1 1 536 . 14 1 1 A 46 46 THR CA C 88 66.640 65.529 1.111 1 1 537 . 14 1 1 A 46 46 THR CB C 88 68.000 68.134 -0.134 1 1 539 . 14 1 1 A 46 46 THR N N 88 116.920 112.422 4.498 1 1 540 . 14 1 1 A 47 47 ALA H H 89 7.710 8.054 -0.344 1 1 541 . 14 1 1 A 47 47 ALA HA H 89 4.240 4.175 0.065 1 1 545 . 14 1 1 A 47 47 ALA C C 89 174.356 179.939 -5.583 1 1 546 . 14 1 1 A 47 47 ALA CA C 89 55.094 55.249 -0.155 1 1 547 . 14 1 1 A 47 47 ALA CB C 89 18.828 18.479 0.349 1 1 548 . 14 1 1 A 47 47 ALA N N 89 123.490 124.785 -1.295 1 1 549 . 14 1 1 A 48 48 LEU H H 90 8.570 8.171 0.399 1 1 550 . 14 1 1 A 48 48 LEU HA H 90 3.445 3.988 -0.543 1 1 560 . 14 1 1 A 48 48 LEU C C 90 178.088 179.503 -1.415 1 1 561 . 14 1 1 A 48 48 LEU CA C 90 67.110 58.221 8.889 1 1 562 . 14 1 1 A 48 48 LEU CB C 90 31.420 42.111 -10.691 1 1 566 . 14 1 1 A 48 48 LEU N N 90 119.800 118.256 1.544 1 1 567 . 14 1 1 A 49 49 ASN H H 91 8.979 8.800 0.179 1 1 568 . 14 1 1 A 49 49 ASN HA H 91 4.494 4.543 -0.049 1 1 571 . 14 1 1 A 49 49 ASN C C 91 178.227 178.113 0.114 1 1 572 . 14 1 1 A 49 49 ASN CA C 91 54.397 56.357 -1.960 1 1 573 . 14 1 1 A 49 49 ASN CB C 91 37.578 37.970 -0.392 1 1 574 . 14 1 1 A 49 49 ASN N N 91 117.500 117.645 -0.145 1 1 575 . 14 1 1 A 50 50 ALA H H 92 7.710 7.768 -0.058 1 1 576 . 14 1 1 A 50 50 ALA HA H 92 4.232 4.061 0.171 1 1 580 . 14 1 1 A 50 50 ALA C C 92 180.155 179.879 0.276 1 1 581 . 14 1 1 A 50 50 ALA CA C 92 54.886 55.200 -0.314 1 1 582 . 14 1 1 A 50 50 ALA CB C 92 17.962 18.865 -0.903 1 1 583 . 14 1 1 A 50 50 ALA N N 92 120.900 123.112 -2.212 1 1 584 . 14 1 1 A 51 51 LEU H H 93 7.670 8.079 -0.409 1 1 585 . 14 1 1 A 51 51 LEU HA H 93 4.340 3.939 0.401 1 1 595 . 14 1 1 A 51 51 LEU C C 93 179.407 179.597 -0.190 1 1 596 . 14 1 1 A 51 51 LEU CA C 93 56.829 57.921 -1.092 1 1 597 . 14 1 1 A 51 51 LEU CB C 93 42.734 42.587 0.147 1 1 601 . 14 1 1 A 51 51 LEU N N 93 117.980 118.032 -0.052 1 1 602 . 14 1 1 A 52 52 THR H H 94 8.530 8.212 0.318 1 1 603 . 14 1 1 A 52 52 THR HA H 94 4.437 4.210 0.227 1 1 608 . 14 1 1 A 52 52 THR C C 94 177.112 175.246 1.866 1 1 609 . 14 1 1 A 52 52 THR CA C 94 61.485 63.653 -2.168 1 1 610 . 14 1 1 A 52 52 THR CB C 94 70.860 70.094 0.766 1 1 612 . 14 1 1 A 52 52 THR N N 94 107.010 109.146 -2.136 1 1 613 . 14 1 1 A 53 53 GLU H H 95 8.001 8.051 -0.050 1 1 614 . 14 1 1 A 53 53 GLU HA H 95 4.062 4.126 -0.064 1 1 619 . 14 1 1 A 53 53 GLU C C 95 176.199 175.918 0.281 1 1 620 . 14 1 1 A 53 53 GLU CA C 95 56.797 57.524 -0.727 1 1 621 . 14 1 1 A 53 53 GLU CB C 95 26.346 28.361 -2.015 1 1 623 . 14 1 1 A 53 53 GLU N N 95 117.560 120.875 -3.315 1 1 624 . 14 1 1 A 54 54 GLY H H 96 8.349 8.231 0.118 1 1 625 . 14 1 1 A 54 54 GLY HA2 H 96 4.120 3.859 0.261 1 1 626 . 14 1 1 A 54 54 GLY HA3 H 96 3.520 3.871 -0.351 1 1 627 . 14 1 1 A 54 54 GLY C C 96 174.264 174.005 0.259 1 1 628 . 14 1 1 A 54 54 GLY CA C 96 44.600 45.554 -0.954 1 1 629 . 14 1 1 A 54 54 GLY N N 96 105.347 104.904 0.443 1 1 630 . 14 1 1 A 55 55 LYS H H 97 7.400 7.599 -0.199 1 1 631 . 14 1 1 A 55 55 LYS HA H 97 4.386 4.442 -0.056 1 1 640 . 14 1 1 A 55 55 LYS C C 97 177.395 175.954 1.441 1 1 641 . 14 1 1 A 55 55 LYS CA C 97 56.797 55.293 1.504 1 1 642 . 14 1 1 A 55 55 LYS CB C 97 30.522 33.410 -2.888 1 1 646 . 14 1 1 A 55 55 LYS N N 97 120.080 121.154 -1.074 1 1 647 . 14 1 1 A 56 56 LYS H H 98 8.510 8.465 0.045 1 1 648 . 14 1 1 A 56 56 LYS HA H 98 3.940 4.356 -0.416 1 1 657 . 14 1 1 A 56 56 LYS C C 98 176.420 178.140 -1.720 1 1 658 . 14 1 1 A 56 56 LYS CA C 98 56.741 57.770 -1.029 1 1 659 . 14 1 1 A 56 56 LYS CB C 98 30.079 33.316 -3.237 1 1 663 . 14 1 1 A 56 56 LYS N N 98 126.202 122.855 3.347 1 1 664 . 14 1 1 A 57 57 ASP H H 99 8.510 8.293 0.217 1 1 665 . 14 1 1 A 57 57 ASP HA H 99 4.570 4.432 0.138 1 1 668 . 14 1 1 A 57 57 ASP C C 99 174.777 176.739 -1.962 1 1 669 . 14 1 1 A 57 57 ASP CA C 99 52.991 56.664 -3.673 1 1 670 . 14 1 1 A 57 57 ASP CB C 99 38.516 39.843 -1.327 1 1 671 . 14 1 1 A 57 57 ASP N N 99 116.900 119.930 -3.030 1 1 672 . 14 1 1 A 58 58 THR H H 100 7.400 7.644 -0.244 1 1 673 . 14 1 1 A 58 58 THR HA H 100 3.971 4.213 -0.242 1 1 678 . 14 1 1 A 58 58 THR C C 100 172.742 174.548 -1.806 1 1 679 . 14 1 1 A 58 58 THR CA C 100 63.360 64.267 -0.907 1 1 680 . 14 1 1 A 58 58 THR CB C 100 70.391 69.351 1.040 1 1 682 . 14 1 1 A 58 58 THR N N 100 117.350 116.406 0.944 1 1 683 . 14 1 1 A 59 59 THR H H 101 8.414 8.573 -0.159 1 1 684 . 14 1 1 A 59 59 THR HA H 101 4.174 4.589 -0.415 1 1 689 . 14 1 1 A 59 59 THR C C 101 172.505 174.126 -1.621 1 1 690 . 14 1 1 A 59 59 THR CA C 101 63.829 63.656 0.173 1 1 691 . 14 1 1 A 59 59 THR CB C 101 69.454 68.863 0.591 1 1 693 . 14 1 1 A 59 59 THR N N 101 123.260 121.365 1.895 1 1 694 . 14 1 1 A 60 60 ILE H H 102 8.190 8.697 -0.507 1 1 695 . 14 1 1 A 60 60 ILE HA H 102 4.399 5.053 -0.654 1 1 705 . 14 1 1 A 60 60 ILE C C 102 175.119 175.171 -0.052 1 1 706 . 14 1 1 A 60 60 ILE CA C 102 58.204 60.456 -2.252 1 1 707 . 14 1 1 A 60 60 ILE CB C 102 38.047 40.049 -2.002 1 1 711 . 14 1 1 A 60 60 ILE N N 102 126.467 128.816 -2.349 1 1 712 . 14 1 1 A 61 61 PHE H H 103 8.900 8.809 0.091 1 1 713 . 14 1 1 A 61 61 PHE HA H 103 5.204 5.094 0.110 1 1 720 . 14 1 1 A 61 61 PHE C C 103 174.877 175.021 -0.144 1 1 721 . 14 1 1 A 61 61 PHE CA C 103 57.266 56.763 0.503 1 1 722 . 14 1 1 A 61 61 PHE CB C 103 40.860 39.455 1.405 1 1 723 . 14 1 1 A 61 61 PHE N N 103 125.650 126.853 -1.203 1 1 724 . 14 1 1 A 62 62 PHE H H 104 9.110 8.916 0.194 1 1 725 . 14 1 1 A 62 62 PHE HA H 104 5.590 4.895 0.695 1 1 732 . 14 1 1 A 62 62 PHE C C 104 174.407 173.897 0.510 1 1 733 . 14 1 1 A 62 62 PHE CA C 104 54.922 56.943 -2.021 1 1 734 . 14 1 1 A 62 62 PHE CB C 104 41.300 39.867 1.433 1 1 735 . 14 1 1 A 62 62 PHE N N 104 123.447 124.705 -1.258 1 1 736 . 14 1 1 A 63 63 ARG H H 105 9.020 8.674 0.346 1 1 737 . 14 1 1 A 63 63 ARG HA H 105 4.830 5.024 -0.194 1 1 744 . 14 1 1 A 63 63 ARG C C 105 173.862 175.080 -1.218 1 1 745 . 14 1 1 A 63 63 ARG CA C 105 54.453 54.584 -0.131 1 1 746 . 14 1 1 A 63 63 ARG CB C 105 32.422 32.238 0.184 1 1 749 . 14 1 1 A 63 63 ARG N N 105 126.020 128.870 -2.850 1 1 750 . 14 1 1 A 64 64 ALA H H 106 8.640 8.767 -0.127 1 1 751 . 14 1 1 A 64 64 ALA HA H 106 5.223 5.154 0.069 1 1 755 . 14 1 1 A 64 64 ALA C C 106 176.565 175.489 1.076 1 1 756 . 14 1 1 A 64 64 ALA CA C 106 50.235 49.907 0.328 1 1 757 . 14 1 1 A 64 64 ALA CB C 106 22.110 22.993 -0.883 1 1 758 . 14 1 1 A 64 64 ALA N N 106 126.540 128.353 -1.813 1 1 759 . 14 1 1 A 65 65 ASP H H 107 7.900 8.428 -0.528 1 1 760 . 14 1 1 A 65 65 ASP HA H 107 4.685 4.521 0.164 1 1 763 . 14 1 1 A 65 65 ASP C C 107 176.987 177.653 -0.666 1 1 764 . 14 1 1 A 65 65 ASP CA C 107 54.453 54.165 0.288 1 1 765 . 14 1 1 A 65 65 ASP CB C 107 42.209 42.431 -0.222 1 1 766 . 14 1 1 A 65 65 ASP N N 107 121.600 120.400 1.200 1 1 767 . 14 1 1 A 66 66 LYS H H 108 8.700 9.038 -0.338 1 1 768 . 14 1 1 A 66 66 LYS HA H 108 4.221 4.303 -0.082 1 1 777 . 14 1 1 A 66 66 LYS C C 108 177.007 177.328 -0.321 1 1 778 . 14 1 1 A 66 66 LYS CA C 108 58.682 58.057 0.625 1 1 779 . 14 1 1 A 66 66 LYS CB C 108 32.422 32.119 0.303 1 1 783 . 14 1 1 A 66 66 LYS N N 108 120.740 124.565 -3.825 1 1 784 . 14 1 1 A 67 67 THR H H 109 8.035 7.700 0.335 1 1 785 . 14 1 1 A 67 67 THR HA H 109 4.270 4.481 -0.211 1 1 790 . 14 1 1 A 67 67 THR C C 109 175.031 173.759 1.272 1 1 791 . 14 1 1 A 67 67 THR CA C 109 62.422 61.252 1.170 1 1 792 . 14 1 1 A 67 67 THR CB C 109 68.985 68.939 0.046 1 1 794 . 14 1 1 A 67 67 THR N N 109 108.086 108.331 -0.245 1 1 795 . 14 1 1 A 68 68 VAL H H 110 7.470 7.602 -0.132 1 1 796 . 14 1 1 A 68 68 VAL HA H 110 3.960 4.194 -0.234 1 1 804 . 14 1 1 A 68 68 VAL C C 110 175.691 175.145 0.546 1 1 805 . 14 1 1 A 68 68 VAL CA C 110 63.360 61.743 1.617 1 1 806 . 14 1 1 A 68 68 VAL CB C 110 32.422 32.992 -0.570 1 1 809 . 14 1 1 A 68 68 VAL N N 110 123.270 122.791 0.479 1 1 810 . 14 1 1 A 69 69 ASP H H 111 8.710 8.764 -0.054 1 1 811 . 14 1 1 A 69 69 ASP HA H 111 4.645 5.005 -0.360 1 1 814 . 14 1 1 A 69 69 ASP C C 111 176.150 177.445 -1.295 1 1 815 . 14 1 1 A 69 69 ASP CA C 111 53.989 52.825 1.164 1 1 816 . 14 1 1 A 69 69 ASP CB C 111 41.328 43.197 -1.869 1 1 817 . 14 1 1 A 69 69 ASP N N 111 126.170 125.354 0.816 1 1 818 . 14 1 1 A 70 70 TYR H H 112 8.840 9.025 -0.185 1 1 819 . 14 1 1 A 70 70 TYR HA H 112 4.056 4.164 -0.108 1 1 826 . 14 1 1 A 70 70 TYR C C 112 177.075 177.561 -0.486 1 1 827 . 14 1 1 A 70 70 TYR CA C 112 61.890 62.221 -0.331 1 1 828 . 14 1 1 A 70 70 TYR CB C 112 38.980 38.579 0.401 1 1 829 . 14 1 1 A 70 70 TYR N N 112 123.360 123.363 -0.003 1 1 830 . 14 1 1 A 71 71 GLU H H 113 8.550 8.294 0.256 1 1 831 . 14 1 1 A 71 71 GLU HA H 113 3.904 3.854 0.050 1 1 836 . 14 1 1 A 71 71 GLU C C 113 179.338 178.945 0.393 1 1 837 . 14 1 1 A 71 71 GLU CA C 113 59.610 59.009 0.601 1 1 838 . 14 1 1 A 71 71 GLU CB C 113 27.765 28.992 -1.227 1 1 840 . 14 1 1 A 71 71 GLU N N 113 116.730 118.419 -1.689 1 1 841 . 14 1 1 A 72 72 THR H H 114 7.780 8.040 -0.260 1 1 842 . 14 1 1 A 72 72 THR HA H 114 4.320 3.975 0.345 1 1 847 . 14 1 1 A 72 72 THR C C 114 175.987 176.760 -0.773 1 1 848 . 14 1 1 A 72 72 THR CA C 114 67.579 67.089 0.490 1 1 849 . 14 1 1 A 72 72 THR CB C 114 66.640 68.670 -2.030 1 1 851 . 14 1 1 A 72 72 THR N N 114 117.340 118.619 -1.279 1 1 852 . 14 1 1 A 73 73 LEU H H 115 7.570 7.690 -0.120 1 1 853 . 14 1 1 A 73 73 LEU HA H 115 3.838 4.018 -0.180 1 1 863 . 14 1 1 A 73 73 LEU C C 115 178.670 178.530 0.140 1 1 864 . 14 1 1 A 73 73 LEU CA C 115 58.203 57.862 0.341 1 1 865 . 14 1 1 A 73 73 LEU CB C 115 40.860 41.181 -0.321 1 1 868 . 14 1 1 A 73 73 LEU N N 115 120.510 117.911 2.599 1 1 869 . 14 1 1 A 74 74 MET H H 116 8.280 7.581 0.699 1 1 870 . 14 1 1 A 74 74 MET HA H 116 4.100 4.082 0.018 1 1 878 . 14 1 1 A 74 74 MET C C 116 178.503 178.094 0.409 1 1 879 . 14 1 1 A 74 74 MET CA C 116 57.210 57.997 -0.787 1 1 880 . 14 1 1 A 74 74 MET CB C 116 32.400 31.757 0.643 1 1 883 . 14 1 1 A 74 74 MET N N 116 116.240 118.874 -2.634 1 1 884 . 14 1 1 A 75 75 LYS H H 117 7.755 7.549 0.206 1 1 885 . 14 1 1 A 75 75 LYS HA H 117 4.146 4.002 0.144 1 1 894 . 14 1 1 A 75 75 LYS C C 117 173.559 179.569 -6.010 1 1 895 . 14 1 1 A 75 75 LYS CA C 117 59.610 59.173 0.437 1 1 896 . 14 1 1 A 75 75 LYS CB C 117 31.495 32.407 -0.912 1 1 900 . 14 1 1 A 75 75 LYS N N 117 120.230 119.098 1.132 1 1 901 . 14 1 1 A 76 76 VAL H H 118 7.880 7.569 0.311 1 1 902 . 14 1 1 A 76 76 VAL HA H 118 3.598 3.838 -0.240 1 1 910 . 14 1 1 A 76 76 VAL C C 118 178.205 177.994 0.211 1 1 911 . 14 1 1 A 76 76 VAL CA C 118 66.641 65.129 1.512 1 1 912 . 14 1 1 A 76 76 VAL CB C 118 31.485 31.516 -0.031 1 1 915 . 14 1 1 A 76 76 VAL N N 118 120.500 115.611 4.889 1 1 916 . 14 1 1 A 77 77 MET H H 119 8.262 8.026 0.236 1 1 917 . 14 1 1 A 77 77 MET HA H 119 3.904 4.074 -0.170 1 1 925 . 14 1 1 A 77 77 MET C C 119 178.200 177.749 0.451 1 1 926 . 14 1 1 A 77 77 MET CA C 119 59.610 58.311 1.299 1 1 927 . 14 1 1 A 77 77 MET CB C 119 32.422 31.670 0.752 1 1 930 . 14 1 1 A 77 77 MET N N 119 118.320 120.039 -1.719 1 1 931 . 14 1 1 A 78 78 ASP H H 120 8.720 7.911 0.809 1 1 932 . 14 1 1 A 78 78 ASP HA H 120 4.400 4.260 0.140 1 1 935 . 14 1 1 A 78 78 ASP C C 120 178.216 178.734 -0.518 1 1 936 . 14 1 1 A 78 78 ASP CA C 120 56.797 57.376 -0.579 1 1 937 . 14 1 1 A 78 78 ASP CB C 120 38.980 40.735 -1.755 1 1 938 . 14 1 1 A 78 78 ASP N N 120 117.800 119.231 -1.431 1 1 939 . 14 1 1 A 79 79 THR H H 121 8.040 7.803 0.237 1 1 940 . 14 1 1 A 79 79 THR HA H 121 3.939 3.962 -0.023 1 1 945 . 14 1 1 A 79 79 THR C C 121 176.582 177.324 -0.742 1 1 946 . 14 1 1 A 79 79 THR CA C 121 66.641 67.407 -0.766 1 1 947 . 14 1 1 A 79 79 THR CB C 121 68.516 68.902 -0.386 1 1 949 . 14 1 1 A 79 79 THR N N 121 118.470 116.705 1.765 1 1 950 . 14 1 1 A 80 80 LEU H H 122 7.931 8.026 -0.095 1 1 951 . 14 1 1 A 80 80 LEU HA H 122 4.136 4.142 -0.006 1 1 961 . 14 1 1 A 80 80 LEU C C 122 178.936 179.122 -0.186 1 1 962 . 14 1 1 A 80 80 LEU CA C 122 58.672 57.988 0.684 1 1 963 . 14 1 1 A 80 80 LEU CB C 122 41.328 41.087 0.241 1 1 967 . 14 1 1 A 80 80 LEU N N 122 121.676 118.185 3.491 1 1 968 . 14 1 1 A 81 81 HIS H H 123 8.825 7.966 0.859 1 1 969 . 14 1 1 A 81 81 HIS HA H 123 4.455 4.245 0.210 1 1 974 . 14 1 1 A 81 81 HIS C C 123 179.780 178.082 1.698 1 1 975 . 14 1 1 A 81 81 HIS CA C 123 57.732 59.720 -1.988 1 1 976 . 14 1 1 A 81 81 HIS CB C 123 28.672 30.168 -1.496 1 1 977 . 14 1 1 A 81 81 HIS N N 123 117.910 118.501 -0.591 1 1 978 . 14 1 1 A 82 82 GLN H H 124 8.740 8.351 0.389 1 1 979 . 14 1 1 A 82 82 GLN HA H 124 4.092 4.041 0.051 1 1 984 . 14 1 1 A 82 82 GLN C C 124 177.091 177.295 -0.204 1 1 985 . 14 1 1 A 82 82 GLN CA C 124 58.672 58.650 0.022 1 1 986 . 14 1 1 A 82 82 GLN CB C 124 28.204 28.530 -0.326 1 1 988 . 14 1 1 A 82 82 GLN N N 124 120.420 117.174 3.246 1 1 989 . 14 1 1 A 83 83 ALA H H 125 7.330 7.316 0.014 1 1 990 . 14 1 1 A 83 83 ALA HA H 125 4.495 4.316 0.179 1 1 994 . 14 1 1 A 83 83 ALA C C 125 176.371 177.821 -1.450 1 1 995 . 14 1 1 A 83 83 ALA CA C 125 52.110 51.639 0.471 1 1 996 . 14 1 1 A 83 83 ALA CB C 125 19.756 18.615 1.141 1 1 997 . 14 1 1 A 83 83 ALA N N 125 119.130 118.991 0.139 1 1 998 . 14 1 1 A 84 84 GLY H H 126 7.780 7.889 -0.109 1 1 999 . 14 1 1 A 84 84 GLY HA2 H 126 4.111 3.807 0.304 1 1 1000 . 14 1 1 A 84 84 GLY HA3 H 126 3.505 3.878 -0.373 1 1 1001 . 14 1 1 A 84 84 GLY C C 126 173.562 173.847 -0.285 1 1 1002 . 14 1 1 A 84 84 GLY CA C 126 44.610 46.498 -1.888 1 1 1003 . 14 1 1 A 84 84 GLY N N 126 104.120 107.589 -3.469 1 1 1004 . 14 1 1 A 85 85 TYR H H 127 7.910 8.255 -0.345 1 1 1005 . 14 1 1 A 85 85 TYR HA H 127 4.551 4.156 0.395 1 1 1012 . 14 1 1 A 85 85 TYR C C 127 177.192 175.767 1.425 1 1 1013 . 14 1 1 A 85 85 TYR CA C 127 59.610 58.034 1.576 1 1 1014 . 14 1 1 A 85 85 TYR CB C 127 37.110 36.470 0.640 1 1 1015 . 14 1 1 A 85 85 TYR N N 127 120.310 121.363 -1.053 1 1 1016 . 14 1 1 A 86 86 LEU H H 128 7.835 8.322 -0.487 1 1 1017 . 14 1 1 A 86 86 LEU HA H 128 4.357 4.638 -0.281 1 1 1027 . 14 1 1 A 86 86 LEU C C 128 178.503 176.024 2.479 1 1 1028 . 14 1 1 A 86 86 LEU CA C 128 54.456 54.413 0.043 1 1 1029 . 14 1 1 A 86 86 LEU CB C 128 43.203 42.889 0.314 1 1 1033 . 14 1 1 A 86 86 LEU N N 128 120.100 121.414 -1.314 1 1 1034 . 14 1 1 A 87 87 LYS H H 129 9.330 7.787 1.543 1 1 1035 . 14 1 1 A 87 87 LYS HA H 129 4.512 4.604 -0.092 1 1 1044 . 14 1 1 A 87 87 LYS C C 129 173.251 174.907 -1.656 1 1 1045 . 14 1 1 A 87 87 LYS CA C 129 54.922 55.464 -0.542 1 1 1046 . 14 1 1 A 87 87 LYS CB C 129 31.000 33.411 -2.411 1 1 1050 . 14 1 1 A 87 87 LYS N N 129 125.180 118.753 6.427 1 1 1051 . 14 1 1 A 88 88 ILE H H 130 7.589 8.367 -0.778 1 1 1052 . 14 1 1 A 88 88 ILE HA H 130 5.015 4.824 0.191 1 1 1062 . 14 1 1 A 88 88 ILE C C 130 176.481 175.780 0.701 1 1 1063 . 14 1 1 A 88 88 ILE CA C 130 58.672 59.622 -0.950 1 1 1064 . 14 1 1 A 88 88 ILE CB C 130 40.391 39.137 1.254 1 1 1068 . 14 1 1 A 88 88 ILE N N 130 122.487 125.464 -2.977 1 1 1069 . 14 1 1 A 89 89 GLY H H 131 8.960 8.712 0.248 1 1 1070 . 14 1 1 A 89 89 GLY HA2 H 131 4.543 2.964 1.579 1 1 1071 . 14 1 1 A 89 89 GLY HA3 H 131 3.488 3.673 -0.185 1 1 1072 . 14 1 1 A 89 89 GLY C C 131 171.936 172.141 -0.205 1 1 1073 . 14 1 1 A 89 89 GLY CA C 131 44.610 44.697 -0.087 1 1 1074 . 14 1 1 A 89 89 GLY N N 131 115.300 115.455 -0.155 1 1 1075 . 14 1 1 A 90 90 LEU H H 132 8.610 8.762 -0.152 1 1 1076 . 14 1 1 A 90 90 LEU HA H 132 5.061 4.616 0.445 1 1 1086 . 14 1 1 A 90 90 LEU C C 132 177.246 176.611 0.635 1 1 1087 . 14 1 1 A 90 90 LEU CA C 132 54.453 53.554 0.899 1 1 1088 . 14 1 1 A 90 90 LEU CB C 132 42.735 42.144 0.591 1 1 1092 . 14 1 1 A 90 90 LEU N N 132 124.560 123.782 0.778 1 1 1093 . 14 1 1 A 91 91 VAL H H 133 8.630 8.538 0.092 1 1 1094 . 14 1 1 A 91 91 VAL HA H 133 4.299 4.059 0.240 1 1 1102 . 14 1 1 A 91 91 VAL C C 133 176.296 177.157 -0.861 1 1 1103 . 14 1 1 A 91 91 VAL CA C 133 61.953 63.642 -1.689 1 1 1104 . 14 1 1 A 91 91 VAL CB C 133 33.360 32.065 1.295 1 1 1107 . 14 1 1 A 91 91 VAL N N 133 123.280 126.219 -2.939 1 1 1108 . 14 1 1 A 92 92 GLY H H 134 8.620 8.987 -0.367 1 1 1109 . 14 1 1 A 92 92 GLY HA2 H 134 4.154 4.144 0.010 1 1 1110 . 14 1 1 A 92 92 GLY HA3 H 134 4.007 4.153 -0.146 1 1 1111 . 14 1 1 A 92 92 GLY C C 134 174.157 175.010 -0.853 1 1 1112 . 14 1 1 A 92 92 GLY CA C 134 45.097 45.482 -0.385 1 1 1113 . 14 1 1 A 92 92 GLY N N 134 112.500 116.487 -3.987 1 1 1114 . 14 1 1 A 93 93 GLU H H 135 8.278 8.418 -0.140 1 1 1115 . 14 1 1 A 93 93 GLU HA H 135 4.387 3.889 0.498 1 1 1120 . 14 1 1 A 93 93 GLU C C 135 176.500 176.464 0.036 1 1 1121 . 14 1 1 A 93 93 GLU CA C 135 56.797 59.624 -2.827 1 1 1122 . 14 1 1 A 93 93 GLU CB C 135 29.141 29.675 -0.534 1 1 1124 . 14 1 1 A 93 93 GLU N N 135 119.460 122.818 -3.358 1 1 1125 . 14 1 1 A 94 94 GLU H H 136 8.680 8.192 0.488 1 1 1126 . 14 1 1 A 94 94 GLU HA H 136 4.387 4.003 0.384 1 1 1131 . 14 1 1 A 94 94 GLU C C 136 176.970 177.019 -0.049 1 1 1132 . 14 1 1 A 94 94 GLU CA C 136 56.797 57.333 -0.536 1 1 1133 . 14 1 1 A 94 94 GLU CB C 136 29.141 28.157 0.984 1 1 1135 . 14 1 1 A 94 94 GLU N N 136 121.740 118.977 2.763 1 1 1136 . 14 1 1 A 95 95 THR H H 137 8.221 7.758 0.463 1 1 1137 . 14 1 1 A 95 95 THR HA H 137 4.228 4.499 -0.271 1 1 1142 . 14 1 1 A 95 95 THR C C 137 174.880 173.116 1.764 1 1 1143 . 14 1 1 A 95 95 THR CA C 137 62.422 61.065 1.357 1 1 1144 . 14 1 1 A 95 95 THR CB C 137 69.454 68.213 1.241 1 1 1146 . 14 1 1 A 95 95 THR N N 137 115.380 113.805 1.575 1 1 1147 . 14 1 1 A 96 96 ALA H H 138 8.311 7.747 0.564 1 1 1148 . 14 1 1 A 96 96 ALA HA H 138 4.233 4.774 -0.541 1 1 1152 . 14 1 1 A 96 96 ALA C C 138 178.469 175.805 2.664 1 1 1153 . 14 1 1 A 96 96 ALA CA C 138 53.516 51.571 1.945 1 1 1154 . 14 1 1 A 96 96 ALA CB C 138 18.828 22.208 -3.380 1 1 1155 . 14 1 1 A 96 96 ALA N N 138 125.688 124.806 0.882 1 1 1156 . 14 1 1 A 97 97 LYS H H 139 8.210 8.840 -0.630 1 1 1157 . 14 1 1 A 97 97 LYS HA H 139 4.163 4.977 -0.814 1 1 1166 . 14 1 1 A 97 97 LYS C C 139 177.154 175.281 1.873 1 1 1167 . 14 1 1 A 97 97 LYS CA C 139 57.265 54.963 2.302 1 1 1168 . 14 1 1 A 97 97 LYS CB C 139 32.891 35.983 -3.092 1 1 1172 . 14 1 1 A 97 97 LYS N N 139 120.110 119.730 0.380 1 1 1173 . 14 1 1 A 98 98 ALA H H 140 8.170 8.484 -0.314 1 1 1174 . 14 1 1 A 98 98 ALA HA H 140 4.209 4.450 -0.241 1 1 1178 . 14 1 1 A 98 98 ALA C C 140 178.469 177.667 0.802 1 1 1179 . 14 1 1 A 98 98 ALA CA C 140 53.516 52.151 1.365 1 1 1180 . 14 1 1 A 98 98 ALA CB C 140 18.828 19.835 -1.007 1 1 1181 . 14 1 1 A 98 98 ALA N N 140 124.210 122.069 2.141 1 1 1 . 15 1 1 A 2 2 ASP H H 44 8.930 8.802 0.128 1 1 2 . 15 1 1 A 2 2 ASP HA H 44 4.860 5.338 -0.478 1 1 5 . 15 1 1 A 2 2 ASP C C 44 175.278 174.097 1.181 1 1 6 . 15 1 1 A 2 2 ASP CA C 44 53.516 53.146 0.370 1 1 7 . 15 1 1 A 2 2 ASP CB C 44 39.397 44.576 -5.179 1 1 8 . 15 1 1 A 2 2 ASP N N 44 122.920 122.104 0.816 1 1 9 . 15 1 1 A 3 3 VAL H H 45 8.329 8.740 -0.411 1 1 10 . 15 1 1 A 3 3 VAL HA H 45 4.120 4.532 -0.412 1 1 18 . 15 1 1 A 3 3 VAL C C 45 175.938 175.256 0.682 1 1 19 . 15 1 1 A 3 3 VAL CA C 45 62.422 59.824 2.598 1 1 20 . 15 1 1 A 3 3 VAL CB C 45 32.300 34.608 -2.308 1 1 23 . 15 1 1 A 3 3 VAL N N 45 121.541 119.017 2.524 1 1 24 . 15 1 1 A 4 4 LYS H H 46 8.400 9.110 -0.710 1 1 25 . 15 1 1 A 4 4 LYS HA H 46 4.387 4.204 0.183 1 1 34 . 15 1 1 A 4 4 LYS C C 46 176.333 176.177 0.156 1 1 35 . 15 1 1 A 4 4 LYS CA C 46 56.270 57.809 -1.539 1 1 36 . 15 1 1 A 4 4 LYS CB C 46 32.874 32.078 0.796 1 1 40 . 15 1 1 A 4 4 LYS N N 46 125.410 129.772 -4.362 1 1 42 . 15 1 1 A 5 5 VAL H H 47 8.190 8.531 -0.341 1 1 43 . 15 1 1 A 5 5 VAL HA H 47 4.118 3.660 0.458 1 1 51 . 15 1 1 A 5 5 VAL C C 47 175.567 174.931 0.636 1 1 52 . 15 1 1 A 5 5 VAL CA C 47 61.954 62.606 -0.652 1 1 53 . 15 1 1 A 5 5 VAL CB C 47 32.443 30.418 2.025 1 1 56 . 15 1 1 A 5 5 VAL N N 47 121.672 117.402 4.270 1 1 57 . 15 1 1 A 6 6 ASN H H 48 8.571 8.338 0.233 1 1 58 . 15 1 1 A 6 6 ASN HA H 48 4.750 5.357 -0.607 1 1 61 . 15 1 1 A 6 6 ASN C C 48 174.566 174.447 0.119 1 1 62 . 15 1 1 A 6 6 ASN CA C 48 53.047 51.601 1.446 1 1 63 . 15 1 1 A 6 6 ASN CB C 48 38.901 39.592 -0.691 1 1 64 . 15 1 1 A 6 6 ASN N N 48 123.230 120.666 2.564 1 1 65 . 15 1 1 A 7 7 LEU H H 49 8.286 8.924 -0.638 1 1 66 . 15 1 1 A 7 7 LEU HA H 49 4.632 5.100 -0.468 1 1 76 . 15 1 1 A 7 7 LEU C C 49 175.162 174.068 1.094 1 1 77 . 15 1 1 A 7 7 LEU CA C 49 53.047 51.955 1.092 1 1 78 . 15 1 1 A 7 7 LEU CB C 49 41.825 42.907 -1.082 1 1 82 . 15 1 1 A 7 7 LEU N N 49 124.491 125.988 -1.497 1 1 83 . 15 1 1 A 8 8 PRO HA H 50 4.443 4.741 -0.298 1 1 90 . 15 1 1 A 8 8 PRO C C 50 176.734 176.064 0.670 1 1 91 . 15 1 1 A 8 8 PRO CA C 50 62.903 62.674 0.229 1 1 92 . 15 1 1 A 8 8 PRO CB C 50 31.839 32.665 -0.826 1 1 95 . 15 1 1 A 9 9 ALA H H 51 8.424 8.455 -0.031 1 1 96 . 15 1 1 A 9 9 ALA HA H 51 4.330 4.527 -0.197 1 1 100 . 15 1 1 A 9 9 ALA C C 51 178.124 176.631 1.493 1 1 101 . 15 1 1 A 9 9 ALA CA C 51 52.578 52.250 0.328 1 1 102 . 15 1 1 A 9 9 ALA CB C 51 19.297 20.831 -1.534 1 1 103 . 15 1 1 A 9 9 ALA N N 51 124.364 123.351 1.013 1 1 104 . 15 1 1 A 10 10 SER H H 52 8.380 8.890 -0.510 1 1 105 . 15 1 1 A 10 10 SER HA H 52 4.223 4.156 0.067 1 1 108 . 15 1 1 A 10 10 SER C C 52 174.982 173.071 1.911 1 1 109 . 15 1 1 A 10 10 SER CA C 52 58.672 58.983 -0.311 1 1 110 . 15 1 1 A 10 10 SER CB C 52 63.829 61.841 1.988 1 1 111 . 15 1 1 A 10 10 SER N N 52 114.800 119.539 -4.739 1 1 112 . 15 1 1 A 11 11 THR H H 53 8.227 7.933 0.294 1 1 113 . 15 1 1 A 11 11 THR HA H 53 4.478 4.543 -0.065 1 1 118 . 15 1 1 A 11 11 THR C C 53 174.612 173.283 1.329 1 1 119 . 15 1 1 A 11 11 THR CA C 53 61.922 61.100 0.822 1 1 120 . 15 1 1 A 11 11 THR CB C 53 69.922 70.065 -0.143 1 1 122 . 15 1 1 A 11 11 THR N N 53 115.236 119.205 -3.969 1 1 123 . 15 1 1 A 12 12 SER H H 54 8.330 7.602 0.728 1 1 124 . 15 1 1 A 12 12 SER HA H 54 4.559 5.307 -0.748 1 1 127 . 15 1 1 A 12 12 SER C C 54 174.299 174.242 0.057 1 1 128 . 15 1 1 A 12 12 SER CA C 54 58.204 56.126 2.078 1 1 129 . 15 1 1 A 12 12 SER CB C 54 63.891 65.235 -1.344 1 1 130 . 15 1 1 A 12 12 SER N N 54 117.770 115.638 2.132 1 1 131 . 15 1 1 A 13 13 THR H H 55 8.274 8.774 -0.500 1 1 132 . 15 1 1 A 13 13 THR HA H 55 4.624 4.973 -0.349 1 1 137 . 15 1 1 A 13 13 THR C C 55 170.400 172.621 -2.221 1 1 138 . 15 1 1 A 13 13 THR CA C 55 60.079 58.471 1.608 1 1 139 . 15 1 1 A 13 13 THR CB C 55 69.922 69.728 0.194 1 1 141 . 15 1 1 A 13 13 THR N N 55 118.865 112.495 6.370 1 1 142 . 15 1 1 A 14 14 PRO HA H 56 4.458 4.685 -0.227 1 1 149 . 15 1 1 A 14 14 PRO C C 56 176.748 175.949 0.799 1 1 150 . 15 1 1 A 14 14 PRO CA C 56 63.076 62.506 0.570 1 1 151 . 15 1 1 A 14 14 PRO CB C 56 32.043 33.416 -1.373 1 1 154 . 15 1 1 A 15 15 GLN H H 57 8.547 8.349 0.198 1 1 155 . 15 1 1 A 15 15 GLN HA H 57 4.620 4.940 -0.320 1 1 160 . 15 1 1 A 15 15 GLN CA C 57 53.600 53.424 0.176 1 1 161 . 15 1 1 A 15 15 GLN CB C 57 29.141 29.817 -0.676 1 1 163 . 15 1 1 A 15 15 GLN N N 57 122.041 119.775 2.266 1 1 165 . 15 1 1 A 16 16 PRO HA H 58 4.458 4.626 -0.168 1 1 172 . 15 1 1 A 16 16 PRO C C 58 176.620 176.006 0.614 1 1 173 . 15 1 1 A 16 16 PRO CA C 58 62.872 62.744 0.128 1 1 174 . 15 1 1 A 16 16 PRO CB C 58 32.111 32.643 -0.532 1 1 177 . 15 1 1 A 17 17 ARG H H 59 8.511 8.509 0.002 1 1 178 . 15 1 1 A 17 17 ARG HA H 59 4.643 4.960 -0.317 1 1 185 . 15 1 1 A 17 17 ARG CA C 59 53.985 53.716 0.269 1 1 186 . 15 1 1 A 17 17 ARG CB C 59 30.195 31.173 -0.978 1 1 189 . 15 1 1 A 17 17 ARG N N 59 122.731 121.771 0.960 1 1 190 . 15 1 1 A 18 18 PRO HA H 60 4.458 4.626 -0.168 1 1 197 . 15 1 1 A 18 18 PRO C C 60 176.892 175.191 1.701 1 1 198 . 15 1 1 A 18 18 PRO CA C 60 62.940 62.474 0.466 1 1 199 . 15 1 1 A 18 18 PRO CB C 60 32.891 32.968 -0.077 1 1 202 . 15 1 1 A 19 19 GLU H H 61 8.480 8.596 -0.116 1 1 203 . 15 1 1 A 19 19 GLU HA H 61 4.391 4.890 -0.499 1 1 208 . 15 1 1 A 19 19 GLU C C 61 176.174 175.616 0.558 1 1 209 . 15 1 1 A 19 19 GLU CA C 61 54.922 55.693 -0.771 1 1 210 . 15 1 1 A 19 19 GLU CB C 61 29.141 30.681 -1.540 1 1 212 . 15 1 1 A 19 19 GLU N N 61 120.840 120.435 0.405 1 1 213 . 15 1 1 A 20 20 LYS H H 62 8.502 8.902 -0.400 1 1 214 . 15 1 1 A 20 20 LYS HA H 62 4.620 5.059 -0.439 1 1 223 . 15 1 1 A 20 20 LYS C C 62 171.420 173.810 -2.390 1 1 224 . 15 1 1 A 20 20 LYS CA C 62 54.827 53.532 1.295 1 1 225 . 15 1 1 A 20 20 LYS CB C 62 32.422 35.540 -3.118 1 1 229 . 15 1 1 A 20 20 LYS N N 62 125.117 121.010 4.107 1 1 230 . 15 1 1 A 21 21 PRO HA H 63 4.448 4.548 -0.100 1 1 237 . 15 1 1 A 21 21 PRO CA C 63 62.261 62.403 -0.142 1 1 238 . 15 1 1 A 21 21 PRO CB C 63 32.422 32.230 0.192 1 1 241 . 15 1 1 A 22 22 VAL H H 64 8.570 8.600 -0.030 1 1 242 . 15 1 1 A 22 22 VAL HA H 64 4.097 4.369 -0.272 1 1 250 . 15 1 1 A 22 22 VAL C C 64 173.862 174.682 -0.820 1 1 251 . 15 1 1 A 22 22 VAL CA C 64 61.000 61.806 -0.806 1 1 252 . 15 1 1 A 22 22 VAL CB C 64 33.770 32.041 1.729 1 1 255 . 15 1 1 A 22 22 VAL N N 64 120.453 121.954 -1.501 1 1 256 . 15 1 1 A 23 23 TYR H H 65 8.600 9.104 -0.504 1 1 257 . 15 1 1 A 23 23 TYR HA H 65 5.207 5.359 -0.152 1 1 264 . 15 1 1 A 23 23 TYR C C 65 174.916 174.278 0.638 1 1 265 . 15 1 1 A 23 23 TYR CA C 65 57.210 56.306 0.904 1 1 266 . 15 1 1 A 23 23 TYR CB C 65 39.454 42.148 -2.694 1 1 267 . 15 1 1 A 23 23 TYR N N 65 124.580 128.124 -3.544 1 1 268 . 15 1 1 A 24 24 LEU H H 66 9.186 9.254 -0.068 1 1 269 . 15 1 1 A 24 24 LEU HA H 66 5.261 5.287 -0.026 1 1 279 . 15 1 1 A 24 24 LEU C C 66 175.491 176.393 -0.902 1 1 280 . 15 1 1 A 24 24 LEU CA C 66 53.516 53.798 -0.282 1 1 281 . 15 1 1 A 24 24 LEU CB C 66 45.078 44.235 0.843 1 1 285 . 15 1 1 A 24 24 LEU N N 66 128.669 127.387 1.282 1 1 286 . 15 1 1 A 25 25 SER H H 67 9.300 8.952 0.348 1 1 287 . 15 1 1 A 25 25 SER HA H 67 5.637 5.367 0.270 1 1 290 . 15 1 1 A 25 25 SER C C 67 173.470 173.524 -0.054 1 1 291 . 15 1 1 A 25 25 SER CA C 67 56.784 57.666 -0.882 1 1 292 . 15 1 1 A 25 25 SER CB C 67 65.267 65.370 -0.103 1 1 293 . 15 1 1 A 25 25 SER N N 67 120.290 121.683 -1.393 1 1 294 . 15 1 1 A 26 26 VAL H H 68 8.600 8.512 0.088 1 1 295 . 15 1 1 A 26 26 VAL HA H 68 4.847 5.330 -0.483 1 1 303 . 15 1 1 A 26 26 VAL C C 68 175.205 174.355 0.850 1 1 304 . 15 1 1 A 26 26 VAL CA C 68 60.950 59.743 1.207 1 1 305 . 15 1 1 A 26 26 VAL CB C 68 33.770 35.194 -1.424 1 1 308 . 15 1 1 A 26 26 VAL N N 68 123.723 126.083 -2.360 1 1 309 . 15 1 1 A 27 27 LYS H H 69 8.760 8.652 0.108 1 1 310 . 15 1 1 A 27 27 LYS HA H 69 4.630 4.928 -0.298 1 1 319 . 15 1 1 A 27 27 LYS C C 69 176.007 176.084 -0.077 1 1 320 . 15 1 1 A 27 27 LYS CA C 69 62.400 54.957 7.443 1 1 321 . 15 1 1 A 27 27 LYS CB C 69 33.820 34.633 -0.813 1 1 325 . 15 1 1 A 27 27 LYS N N 69 126.000 119.689 6.311 1 1 326 . 15 1 1 A 28 28 ALA H H 70 8.728 8.707 0.021 1 1 327 . 15 1 1 A 28 28 ALA HA H 70 4.018 3.921 0.097 1 1 331 . 15 1 1 A 28 28 ALA C C 70 177.852 177.890 -0.038 1 1 332 . 15 1 1 A 28 28 ALA CA C 70 53.985 54.266 -0.281 1 1 333 . 15 1 1 A 28 28 ALA CB C 70 19.297 17.864 1.433 1 1 334 . 15 1 1 A 28 28 ALA N N 70 124.480 122.210 2.270 1 1 335 . 15 1 1 A 29 29 ASP H H 71 8.256 8.826 -0.570 1 1 336 . 15 1 1 A 29 29 ASP HA H 71 4.497 4.452 0.045 1 1 339 . 15 1 1 A 29 29 ASP C C 71 176.455 176.375 0.080 1 1 340 . 15 1 1 A 29 29 ASP CA C 71 53.985 57.282 -3.297 1 1 341 . 15 1 1 A 29 29 ASP CB C 71 39.315 41.047 -1.732 1 1 342 . 15 1 1 A 29 29 ASP N N 71 118.722 118.403 0.319 1 1 343 . 15 1 1 A 30 30 ASN H H 72 8.380 7.671 0.709 1 1 344 . 15 1 1 A 30 30 ASN HA H 72 4.374 5.124 -0.750 1 1 349 . 15 1 1 A 30 30 ASN C C 72 174.641 173.384 1.257 1 1 350 . 15 1 1 A 30 30 ASN CA C 72 54.453 52.806 1.647 1 1 351 . 15 1 1 A 30 30 ASN CB C 72 37.579 39.840 -2.261 1 1 352 . 15 1 1 A 30 30 ASN N N 72 113.000 111.852 1.148 1 1 353 . 15 1 1 A 31 31 SER H H 73 7.710 8.523 -0.813 1 1 354 . 15 1 1 A 31 31 SER HA H 73 4.404 5.050 -0.646 1 1 357 . 15 1 1 A 31 31 SER C C 73 172.527 172.900 -0.373 1 1 358 . 15 1 1 A 31 31 SER CA C 73 58.672 57.038 1.634 1 1 359 . 15 1 1 A 31 31 SER CB C 73 63.303 66.012 -2.709 1 1 360 . 15 1 1 A 31 31 SER N N 73 115.080 119.583 -4.503 1 1 361 . 15 1 1 A 32 32 MET H H 74 8.065 8.454 -0.389 1 1 362 . 15 1 1 A 32 32 MET HA H 74 5.573 5.335 0.238 1 1 370 . 15 1 1 A 32 32 MET C C 74 174.974 175.576 -0.602 1 1 371 . 15 1 1 A 32 32 MET CA C 74 54.397 54.096 0.301 1 1 372 . 15 1 1 A 32 32 MET CB C 74 37.579 34.506 3.073 1 1 375 . 15 1 1 A 32 32 MET N N 74 121.780 124.538 -2.758 1 1 376 . 15 1 1 A 33 33 PHE H H 75 8.900 9.258 -0.358 1 1 377 . 15 1 1 A 33 33 PHE HA H 75 5.190 4.823 0.367 1 1 384 . 15 1 1 A 33 33 PHE C C 75 175.228 174.516 0.712 1 1 385 . 15 1 1 A 33 33 PHE CA C 75 56.797 58.129 -1.332 1 1 386 . 15 1 1 A 33 33 PHE CB C 75 44.141 40.635 3.506 1 1 387 . 15 1 1 A 33 33 PHE N N 75 118.800 123.140 -4.340 1 1 388 . 15 1 1 A 34 34 ILE H H 76 8.830 8.469 0.361 1 1 389 . 15 1 1 A 34 34 ILE HA H 76 4.851 4.250 0.601 1 1 399 . 15 1 1 A 34 34 ILE C C 76 177.606 178.337 -0.731 1 1 400 . 15 1 1 A 34 34 ILE CA C 76 59.610 61.540 -1.930 1 1 401 . 15 1 1 A 34 34 ILE CB C 76 37.990 38.170 -0.180 1 1 405 . 15 1 1 A 34 34 ILE N N 76 121.330 128.186 -6.856 1 1 406 . 15 1 1 A 35 35 GLY H H 77 9.177 8.668 0.509 1 1 407 . 15 1 1 A 35 35 GLY HA2 H 77 4.139 3.814 0.325 1 1 408 . 15 1 1 A 35 35 GLY HA3 H 77 3.742 3.836 -0.094 1 1 409 . 15 1 1 A 35 35 GLY C C 77 174.757 175.140 -0.383 1 1 410 . 15 1 1 A 35 35 GLY CA C 77 47.422 47.337 0.085 1 1 411 . 15 1 1 A 35 35 GLY N N 77 118.894 113.794 5.100 1 1 412 . 15 1 1 A 36 36 ASN H H 78 9.170 7.943 1.227 1 1 413 . 15 1 1 A 36 36 ASN HA H 78 4.846 4.971 -0.125 1 1 416 . 15 1 1 A 36 36 ASN C C 78 174.867 173.173 1.694 1 1 417 . 15 1 1 A 36 36 ASN CA C 78 52.578 52.278 0.300 1 1 418 . 15 1 1 A 36 36 ASN CB C 78 38.985 38.920 0.065 1 1 419 . 15 1 1 A 36 36 ASN N N 78 125.494 117.316 8.178 1 1 420 . 15 1 1 A 37 37 ASP H H 79 8.590 7.724 0.866 1 1 421 . 15 1 1 A 37 37 ASP HA H 79 5.330 5.135 0.195 1 1 424 . 15 1 1 A 37 37 ASP C C 79 173.009 173.204 -0.195 1 1 425 . 15 1 1 A 37 37 ASP CA C 79 51.172 51.390 -0.218 1 1 426 . 15 1 1 A 37 37 ASP CB C 79 39.922 41.678 -1.756 1 1 427 . 15 1 1 A 37 37 ASP N N 79 121.409 120.985 0.424 1 1 428 . 15 1 1 A 38 38 PRO HA H 80 4.320 4.510 -0.190 1 1 435 . 15 1 1 A 38 38 PRO C C 80 176.862 176.181 0.681 1 1 436 . 15 1 1 A 38 38 PRO CA C 80 62.422 62.287 0.135 1 1 437 . 15 1 1 A 38 38 PRO CB C 80 32.890 31.362 1.528 1 1 440 . 15 1 1 A 39 39 VAL H H 81 8.001 7.981 0.020 1 1 441 . 15 1 1 A 39 39 VAL HA H 81 4.522 4.848 -0.326 1 1 449 . 15 1 1 A 39 39 VAL C C 81 173.912 173.869 0.043 1 1 450 . 15 1 1 A 39 39 VAL CA C 81 59.141 59.478 -0.337 1 1 451 . 15 1 1 A 39 39 VAL CB C 81 36.172 36.228 -0.056 1 1 454 . 15 1 1 A 39 39 VAL N N 81 115.450 116.776 -1.326 1 1 455 . 15 1 1 A 40 40 THR H H 82 7.672 8.491 -0.819 1 1 456 . 15 1 1 A 40 40 THR HA H 82 4.746 4.728 0.018 1 1 461 . 15 1 1 A 40 40 THR C C 82 175.692 174.641 1.051 1 1 462 . 15 1 1 A 40 40 THR CA C 82 59.121 60.528 -1.407 1 1 463 . 15 1 1 A 40 40 THR CB C 82 72.735 72.290 0.445 1 1 465 . 15 1 1 A 40 40 THR N N 82 110.320 115.619 -5.299 1 1 466 . 15 1 1 A 41 41 ASP H H 83 9.370 8.926 0.444 1 1 467 . 15 1 1 A 41 41 ASP HA H 83 4.314 4.426 -0.112 1 1 470 . 15 1 1 A 41 41 ASP C C 83 176.943 177.654 -0.711 1 1 471 . 15 1 1 A 41 41 ASP CA C 83 56.797 56.949 -0.152 1 1 472 . 15 1 1 A 41 41 ASP CB C 83 38.047 40.745 -2.698 1 1 473 . 15 1 1 A 41 41 ASP N N 83 118.710 124.179 -5.469 1 1 474 . 15 1 1 A 42 42 GLU H H 84 8.228 7.962 0.266 1 1 475 . 15 1 1 A 42 42 GLU HA H 84 4.336 4.169 0.167 1 1 480 . 15 1 1 A 42 42 GLU C C 84 177.827 178.425 -0.598 1 1 481 . 15 1 1 A 42 42 GLU CA C 84 58.204 58.583 -0.379 1 1 482 . 15 1 1 A 42 42 GLU CB C 84 29.141 30.200 -1.059 1 1 484 . 15 1 1 A 42 42 GLU N N 84 115.213 118.806 -3.593 1 1 485 . 15 1 1 A 43 43 THR H H 85 7.510 7.921 -0.411 1 1 486 . 15 1 1 A 43 43 THR HA H 85 4.664 4.626 0.038 1 1 491 . 15 1 1 A 43 43 THR C C 85 175.799 175.452 0.347 1 1 492 . 15 1 1 A 43 43 THR CA C 85 61.395 62.867 -1.472 1 1 493 . 15 1 1 A 43 43 THR CB C 85 70.391 68.847 1.544 1 1 495 . 15 1 1 A 43 43 THR N N 85 108.315 114.171 -5.856 1 1 496 . 15 1 1 A 44 44 MET H H 86 7.900 7.901 -0.001 1 1 497 . 15 1 1 A 44 44 MET HA H 86 3.820 4.225 -0.405 1 1 505 . 15 1 1 A 44 44 MET C C 86 176.605 178.295 -1.690 1 1 506 . 15 1 1 A 44 44 MET CA C 86 60.547 58.354 2.193 1 1 507 . 15 1 1 A 44 44 MET CB C 86 32.422 32.358 0.064 1 1 510 . 15 1 1 A 44 44 MET N N 86 121.500 120.310 1.190 1 1 511 . 15 1 1 A 45 45 ILE H H 87 8.430 8.234 0.196 1 1 512 . 15 1 1 A 45 45 ILE HA H 87 3.686 3.652 0.034 1 1 522 . 15 1 1 A 45 45 ILE C C 87 177.773 178.003 -0.230 1 1 523 . 15 1 1 A 45 45 ILE CA C 87 62.934 65.056 -2.122 1 1 524 . 15 1 1 A 45 45 ILE CB C 87 34.766 37.350 -2.584 1 1 528 . 15 1 1 A 45 45 ILE N N 87 117.970 119.511 -1.541 1 1 529 . 15 1 1 A 46 46 THR H H 88 8.070 8.220 -0.150 1 1 530 . 15 1 1 A 46 46 THR HA H 88 3.953 4.067 -0.114 1 1 535 . 15 1 1 A 46 46 THR C C 88 177.011 176.993 0.018 1 1 536 . 15 1 1 A 46 46 THR CA C 88 66.640 65.325 1.315 1 1 537 . 15 1 1 A 46 46 THR CB C 88 68.000 68.155 -0.155 1 1 539 . 15 1 1 A 46 46 THR N N 88 116.920 112.714 4.206 1 1 540 . 15 1 1 A 47 47 ALA H H 89 7.710 8.208 -0.498 1 1 541 . 15 1 1 A 47 47 ALA HA H 89 4.240 4.112 0.128 1 1 545 . 15 1 1 A 47 47 ALA C C 89 174.356 179.607 -5.251 1 1 546 . 15 1 1 A 47 47 ALA CA C 89 55.094 55.225 -0.131 1 1 547 . 15 1 1 A 47 47 ALA CB C 89 18.828 18.556 0.272 1 1 548 . 15 1 1 A 47 47 ALA N N 89 123.490 124.700 -1.210 1 1 549 . 15 1 1 A 48 48 LEU H H 90 8.570 8.569 0.001 1 1 550 . 15 1 1 A 48 48 LEU HA H 90 3.445 3.988 -0.543 1 1 560 . 15 1 1 A 48 48 LEU C C 90 178.088 179.516 -1.428 1 1 561 . 15 1 1 A 48 48 LEU CA C 90 67.110 58.127 8.983 1 1 562 . 15 1 1 A 48 48 LEU CB C 90 31.420 41.572 -10.152 1 1 566 . 15 1 1 A 48 48 LEU N N 90 119.800 117.929 1.871 1 1 567 . 15 1 1 A 49 49 ASN H H 91 8.979 8.706 0.273 1 1 568 . 15 1 1 A 49 49 ASN HA H 91 4.494 4.577 -0.083 1 1 571 . 15 1 1 A 49 49 ASN C C 91 178.227 178.099 0.128 1 1 572 . 15 1 1 A 49 49 ASN CA C 91 54.397 56.166 -1.769 1 1 573 . 15 1 1 A 49 49 ASN CB C 91 37.578 37.774 -0.196 1 1 574 . 15 1 1 A 49 49 ASN N N 91 117.500 118.183 -0.683 1 1 575 . 15 1 1 A 50 50 ALA H H 92 7.710 7.809 -0.099 1 1 576 . 15 1 1 A 50 50 ALA HA H 92 4.232 4.062 0.170 1 1 580 . 15 1 1 A 50 50 ALA C C 92 180.155 180.119 0.036 1 1 581 . 15 1 1 A 50 50 ALA CA C 92 54.886 55.173 -0.287 1 1 582 . 15 1 1 A 50 50 ALA CB C 92 17.962 18.604 -0.642 1 1 583 . 15 1 1 A 50 50 ALA N N 92 120.900 123.152 -2.252 1 1 584 . 15 1 1 A 51 51 LEU H H 93 7.670 7.957 -0.287 1 1 585 . 15 1 1 A 51 51 LEU HA H 93 4.340 3.960 0.380 1 1 595 . 15 1 1 A 51 51 LEU C C 93 179.407 179.361 0.046 1 1 596 . 15 1 1 A 51 51 LEU CA C 93 56.829 57.849 -1.020 1 1 597 . 15 1 1 A 51 51 LEU CB C 93 42.734 42.550 0.184 1 1 601 . 15 1 1 A 51 51 LEU N N 93 117.980 118.012 -0.032 1 1 602 . 15 1 1 A 52 52 THR H H 94 8.530 8.319 0.211 1 1 603 . 15 1 1 A 52 52 THR HA H 94 4.437 4.197 0.240 1 1 608 . 15 1 1 A 52 52 THR C C 94 177.112 175.155 1.957 1 1 609 . 15 1 1 A 52 52 THR CA C 94 61.485 63.941 -2.456 1 1 610 . 15 1 1 A 52 52 THR CB C 94 70.860 70.099 0.761 1 1 612 . 15 1 1 A 52 52 THR N N 94 107.010 109.202 -2.192 1 1 613 . 15 1 1 A 53 53 GLU H H 95 8.001 8.156 -0.155 1 1 614 . 15 1 1 A 53 53 GLU HA H 95 4.062 3.940 0.122 1 1 619 . 15 1 1 A 53 53 GLU C C 95 176.199 175.830 0.369 1 1 620 . 15 1 1 A 53 53 GLU CA C 95 56.797 57.523 -0.726 1 1 621 . 15 1 1 A 53 53 GLU CB C 95 26.346 28.358 -2.012 1 1 623 . 15 1 1 A 53 53 GLU N N 95 117.560 121.024 -3.464 1 1 624 . 15 1 1 A 54 54 GLY H H 96 8.349 8.157 0.192 1 1 625 . 15 1 1 A 54 54 GLY HA2 H 96 4.120 3.886 0.234 1 1 626 . 15 1 1 A 54 54 GLY HA3 H 96 3.520 3.895 -0.375 1 1 627 . 15 1 1 A 54 54 GLY C C 96 174.264 174.114 0.150 1 1 628 . 15 1 1 A 54 54 GLY CA C 96 44.600 46.198 -1.598 1 1 629 . 15 1 1 A 54 54 GLY N N 96 105.347 105.173 0.174 1 1 630 . 15 1 1 A 55 55 LYS H H 97 7.400 7.615 -0.215 1 1 631 . 15 1 1 A 55 55 LYS HA H 97 4.386 4.501 -0.115 1 1 640 . 15 1 1 A 55 55 LYS C C 97 177.395 175.685 1.710 1 1 641 . 15 1 1 A 55 55 LYS CA C 97 56.797 55.327 1.470 1 1 642 . 15 1 1 A 55 55 LYS CB C 97 30.522 33.482 -2.960 1 1 646 . 15 1 1 A 55 55 LYS N N 97 120.080 120.271 -0.191 1 1 647 . 15 1 1 A 56 56 LYS H H 98 8.510 8.553 -0.043 1 1 648 . 15 1 1 A 56 56 LYS HA H 98 3.940 4.537 -0.597 1 1 657 . 15 1 1 A 56 56 LYS C C 98 176.420 177.920 -1.500 1 1 658 . 15 1 1 A 56 56 LYS CA C 98 56.741 57.377 -0.636 1 1 659 . 15 1 1 A 56 56 LYS CB C 98 30.079 32.763 -2.684 1 1 663 . 15 1 1 A 56 56 LYS N N 98 126.202 125.068 1.134 1 1 664 . 15 1 1 A 57 57 ASP H H 99 8.510 8.312 0.198 1 1 665 . 15 1 1 A 57 57 ASP HA H 99 4.570 4.438 0.132 1 1 668 . 15 1 1 A 57 57 ASP C C 99 174.777 176.993 -2.216 1 1 669 . 15 1 1 A 57 57 ASP CA C 99 52.991 56.547 -3.556 1 1 670 . 15 1 1 A 57 57 ASP CB C 99 38.516 41.446 -2.930 1 1 671 . 15 1 1 A 57 57 ASP N N 99 116.900 119.494 -2.594 1 1 672 . 15 1 1 A 58 58 THR H H 100 7.400 7.659 -0.259 1 1 673 . 15 1 1 A 58 58 THR HA H 100 3.971 4.197 -0.226 1 1 678 . 15 1 1 A 58 58 THR C C 100 172.742 174.696 -1.954 1 1 679 . 15 1 1 A 58 58 THR CA C 100 63.360 64.298 -0.938 1 1 680 . 15 1 1 A 58 58 THR CB C 100 70.391 69.399 0.992 1 1 682 . 15 1 1 A 58 58 THR N N 100 117.350 113.664 3.686 1 1 683 . 15 1 1 A 59 59 THR H H 101 8.414 8.556 -0.142 1 1 684 . 15 1 1 A 59 59 THR HA H 101 4.174 4.481 -0.307 1 1 689 . 15 1 1 A 59 59 THR C C 101 172.505 174.253 -1.748 1 1 690 . 15 1 1 A 59 59 THR CA C 101 63.829 64.124 -0.295 1 1 691 . 15 1 1 A 59 59 THR CB C 101 69.454 69.136 0.318 1 1 693 . 15 1 1 A 59 59 THR N N 101 123.260 121.554 1.706 1 1 694 . 15 1 1 A 60 60 ILE H H 102 8.190 8.457 -0.267 1 1 695 . 15 1 1 A 60 60 ILE HA H 102 4.399 4.972 -0.573 1 1 705 . 15 1 1 A 60 60 ILE C C 102 175.119 175.147 -0.028 1 1 706 . 15 1 1 A 60 60 ILE CA C 102 58.204 60.527 -2.323 1 1 707 . 15 1 1 A 60 60 ILE CB C 102 38.047 40.173 -2.126 1 1 711 . 15 1 1 A 60 60 ILE N N 102 126.467 128.013 -1.546 1 1 712 . 15 1 1 A 61 61 PHE H H 103 8.900 8.774 0.126 1 1 713 . 15 1 1 A 61 61 PHE HA H 103 5.204 5.010 0.194 1 1 720 . 15 1 1 A 61 61 PHE C C 103 174.877 175.063 -0.186 1 1 721 . 15 1 1 A 61 61 PHE CA C 103 57.266 57.233 0.033 1 1 722 . 15 1 1 A 61 61 PHE CB C 103 40.860 39.038 1.822 1 1 723 . 15 1 1 A 61 61 PHE N N 103 125.650 126.926 -1.276 1 1 724 . 15 1 1 A 62 62 PHE H H 104 9.110 9.092 0.018 1 1 725 . 15 1 1 A 62 62 PHE HA H 104 5.590 5.009 0.581 1 1 732 . 15 1 1 A 62 62 PHE C C 104 174.407 173.818 0.589 1 1 733 . 15 1 1 A 62 62 PHE CA C 104 54.922 56.666 -1.744 1 1 734 . 15 1 1 A 62 62 PHE CB C 104 41.300 40.159 1.141 1 1 735 . 15 1 1 A 62 62 PHE N N 104 123.447 124.489 -1.042 1 1 736 . 15 1 1 A 63 63 ARG H H 105 9.020 8.590 0.430 1 1 737 . 15 1 1 A 63 63 ARG HA H 105 4.830 5.027 -0.197 1 1 744 . 15 1 1 A 63 63 ARG C C 105 173.862 174.937 -1.075 1 1 745 . 15 1 1 A 63 63 ARG CA C 105 54.453 54.512 -0.059 1 1 746 . 15 1 1 A 63 63 ARG CB C 105 32.422 33.463 -1.041 1 1 749 . 15 1 1 A 63 63 ARG N N 105 126.020 128.727 -2.707 1 1 750 . 15 1 1 A 64 64 ALA H H 106 8.640 8.474 0.166 1 1 751 . 15 1 1 A 64 64 ALA HA H 106 5.223 4.974 0.249 1 1 755 . 15 1 1 A 64 64 ALA C C 106 176.565 175.753 0.812 1 1 756 . 15 1 1 A 64 64 ALA CA C 106 50.235 50.130 0.105 1 1 757 . 15 1 1 A 64 64 ALA CB C 106 22.110 23.004 -0.894 1 1 758 . 15 1 1 A 64 64 ALA N N 106 126.540 128.028 -1.488 1 1 759 . 15 1 1 A 65 65 ASP H H 107 7.900 8.392 -0.492 1 1 760 . 15 1 1 A 65 65 ASP HA H 107 4.685 4.533 0.152 1 1 763 . 15 1 1 A 65 65 ASP C C 107 176.987 177.852 -0.865 1 1 764 . 15 1 1 A 65 65 ASP CA C 107 54.453 54.677 -0.224 1 1 765 . 15 1 1 A 65 65 ASP CB C 107 42.209 41.680 0.529 1 1 766 . 15 1 1 A 65 65 ASP N N 107 121.600 120.526 1.074 1 1 767 . 15 1 1 A 66 66 LYS H H 108 8.700 8.798 -0.098 1 1 768 . 15 1 1 A 66 66 LYS HA H 108 4.221 4.098 0.123 1 1 777 . 15 1 1 A 66 66 LYS C C 108 177.007 176.817 0.190 1 1 778 . 15 1 1 A 66 66 LYS CA C 108 58.682 58.392 0.290 1 1 779 . 15 1 1 A 66 66 LYS CB C 108 32.422 31.830 0.592 1 1 783 . 15 1 1 A 66 66 LYS N N 108 120.740 120.653 0.087 1 1 784 . 15 1 1 A 67 67 THR H H 109 8.035 7.708 0.327 1 1 785 . 15 1 1 A 67 67 THR HA H 109 4.270 4.484 -0.214 1 1 790 . 15 1 1 A 67 67 THR C C 109 175.031 173.658 1.373 1 1 791 . 15 1 1 A 67 67 THR CA C 109 62.422 61.257 1.165 1 1 792 . 15 1 1 A 67 67 THR CB C 109 68.985 68.873 0.112 1 1 794 . 15 1 1 A 67 67 THR N N 109 108.086 109.402 -1.316 1 1 795 . 15 1 1 A 68 68 VAL H H 110 7.470 7.590 -0.120 1 1 796 . 15 1 1 A 68 68 VAL HA H 110 3.960 4.195 -0.235 1 1 804 . 15 1 1 A 68 68 VAL C C 110 175.691 174.955 0.736 1 1 805 . 15 1 1 A 68 68 VAL CA C 110 63.360 61.656 1.704 1 1 806 . 15 1 1 A 68 68 VAL CB C 110 32.422 33.245 -0.823 1 1 809 . 15 1 1 A 68 68 VAL N N 110 123.270 122.635 0.635 1 1 810 . 15 1 1 A 69 69 ASP H H 111 8.710 8.222 0.488 1 1 811 . 15 1 1 A 69 69 ASP HA H 111 4.645 5.017 -0.372 1 1 814 . 15 1 1 A 69 69 ASP C C 111 176.150 176.976 -0.826 1 1 815 . 15 1 1 A 69 69 ASP CA C 111 53.989 54.295 -0.306 1 1 816 . 15 1 1 A 69 69 ASP CB C 111 41.328 42.498 -1.170 1 1 817 . 15 1 1 A 69 69 ASP N N 111 126.170 127.145 -0.975 1 1 818 . 15 1 1 A 70 70 TYR H H 112 8.840 9.146 -0.306 1 1 819 . 15 1 1 A 70 70 TYR HA H 112 4.056 4.172 -0.116 1 1 826 . 15 1 1 A 70 70 TYR C C 112 177.075 177.537 -0.462 1 1 827 . 15 1 1 A 70 70 TYR CA C 112 61.890 62.225 -0.335 1 1 828 . 15 1 1 A 70 70 TYR CB C 112 38.980 38.641 0.339 1 1 829 . 15 1 1 A 70 70 TYR N N 112 123.360 126.180 -2.820 1 1 830 . 15 1 1 A 71 71 GLU H H 113 8.550 8.287 0.263 1 1 831 . 15 1 1 A 71 71 GLU HA H 113 3.904 3.862 0.042 1 1 836 . 15 1 1 A 71 71 GLU C C 113 179.338 178.987 0.351 1 1 837 . 15 1 1 A 71 71 GLU CA C 113 59.610 59.013 0.597 1 1 838 . 15 1 1 A 71 71 GLU CB C 113 27.765 28.992 -1.227 1 1 840 . 15 1 1 A 71 71 GLU N N 113 116.730 118.500 -1.770 1 1 841 . 15 1 1 A 72 72 THR H H 114 7.780 7.792 -0.012 1 1 842 . 15 1 1 A 72 72 THR HA H 114 4.320 3.994 0.326 1 1 847 . 15 1 1 A 72 72 THR C C 114 175.987 176.761 -0.774 1 1 848 . 15 1 1 A 72 72 THR CA C 114 67.579 67.100 0.479 1 1 849 . 15 1 1 A 72 72 THR CB C 114 66.640 68.669 -2.029 1 1 851 . 15 1 1 A 72 72 THR N N 114 117.340 118.420 -1.080 1 1 852 . 15 1 1 A 73 73 LEU H H 115 7.570 7.691 -0.121 1 1 853 . 15 1 1 A 73 73 LEU HA H 115 3.838 4.053 -0.215 1 1 863 . 15 1 1 A 73 73 LEU C C 115 178.670 178.559 0.111 1 1 864 . 15 1 1 A 73 73 LEU CA C 115 58.203 57.832 0.371 1 1 865 . 15 1 1 A 73 73 LEU CB C 115 40.860 41.230 -0.370 1 1 868 . 15 1 1 A 73 73 LEU N N 115 120.510 117.790 2.720 1 1 869 . 15 1 1 A 74 74 MET H H 116 8.280 7.609 0.671 1 1 870 . 15 1 1 A 74 74 MET HA H 116 4.100 4.098 0.002 1 1 878 . 15 1 1 A 74 74 MET C C 116 178.503 178.109 0.394 1 1 879 . 15 1 1 A 74 74 MET CA C 116 57.210 58.055 -0.845 1 1 880 . 15 1 1 A 74 74 MET CB C 116 32.400 31.776 0.624 1 1 883 . 15 1 1 A 74 74 MET N N 116 116.240 119.089 -2.849 1 1 884 . 15 1 1 A 75 75 LYS H H 117 7.755 7.638 0.117 1 1 885 . 15 1 1 A 75 75 LYS HA H 117 4.146 4.038 0.108 1 1 894 . 15 1 1 A 75 75 LYS C C 117 173.559 179.616 -6.057 1 1 895 . 15 1 1 A 75 75 LYS CA C 117 59.610 59.137 0.473 1 1 896 . 15 1 1 A 75 75 LYS CB C 117 31.495 32.291 -0.796 1 1 900 . 15 1 1 A 75 75 LYS N N 117 120.230 119.121 1.109 1 1 901 . 15 1 1 A 76 76 VAL H H 118 7.880 7.772 0.108 1 1 902 . 15 1 1 A 76 76 VAL HA H 118 3.598 3.854 -0.256 1 1 910 . 15 1 1 A 76 76 VAL C C 118 178.205 178.038 0.167 1 1 911 . 15 1 1 A 76 76 VAL CA C 118 66.641 65.075 1.566 1 1 912 . 15 1 1 A 76 76 VAL CB C 118 31.485 31.450 0.035 1 1 915 . 15 1 1 A 76 76 VAL N N 118 120.500 115.974 4.526 1 1 916 . 15 1 1 A 77 77 MET H H 119 8.262 7.958 0.304 1 1 917 . 15 1 1 A 77 77 MET HA H 119 3.904 4.046 -0.142 1 1 925 . 15 1 1 A 77 77 MET C C 119 178.200 177.635 0.565 1 1 926 . 15 1 1 A 77 77 MET CA C 119 59.610 58.588 1.022 1 1 927 . 15 1 1 A 77 77 MET CB C 119 32.422 32.132 0.290 1 1 930 . 15 1 1 A 77 77 MET N N 119 118.320 120.264 -1.944 1 1 931 . 15 1 1 A 78 78 ASP H H 120 8.720 7.857 0.863 1 1 932 . 15 1 1 A 78 78 ASP HA H 120 4.400 4.370 0.030 1 1 935 . 15 1 1 A 78 78 ASP C C 120 178.216 178.561 -0.345 1 1 936 . 15 1 1 A 78 78 ASP CA C 120 56.797 56.520 0.277 1 1 937 . 15 1 1 A 78 78 ASP CB C 120 38.980 40.298 -1.318 1 1 938 . 15 1 1 A 78 78 ASP N N 120 117.800 119.244 -1.444 1 1 939 . 15 1 1 A 79 79 THR H H 121 8.040 7.696 0.344 1 1 940 . 15 1 1 A 79 79 THR HA H 121 3.939 3.999 -0.060 1 1 945 . 15 1 1 A 79 79 THR C C 121 176.582 176.628 -0.046 1 1 946 . 15 1 1 A 79 79 THR CA C 121 66.641 67.130 -0.489 1 1 947 . 15 1 1 A 79 79 THR CB C 121 68.516 68.712 -0.196 1 1 949 . 15 1 1 A 79 79 THR N N 121 118.470 117.876 0.594 1 1 950 . 15 1 1 A 80 80 LEU H H 122 7.931 8.287 -0.356 1 1 951 . 15 1 1 A 80 80 LEU HA H 122 4.136 4.135 0.001 1 1 961 . 15 1 1 A 80 80 LEU C C 122 178.936 179.096 -0.160 1 1 962 . 15 1 1 A 80 80 LEU CA C 122 58.672 57.982 0.690 1 1 963 . 15 1 1 A 80 80 LEU CB C 122 41.328 41.227 0.101 1 1 967 . 15 1 1 A 80 80 LEU N N 122 121.676 118.980 2.696 1 1 968 . 15 1 1 A 81 81 HIS H H 123 8.825 7.707 1.118 1 1 969 . 15 1 1 A 81 81 HIS HA H 123 4.455 4.269 0.186 1 1 974 . 15 1 1 A 81 81 HIS C C 123 179.780 177.751 2.029 1 1 975 . 15 1 1 A 81 81 HIS CA C 123 57.732 59.778 -2.046 1 1 976 . 15 1 1 A 81 81 HIS CB C 123 28.672 30.480 -1.808 1 1 977 . 15 1 1 A 81 81 HIS N N 123 117.910 118.723 -0.813 1 1 978 . 15 1 1 A 82 82 GLN H H 124 8.740 8.088 0.652 1 1 979 . 15 1 1 A 82 82 GLN HA H 124 4.092 4.038 0.054 1 1 984 . 15 1 1 A 82 82 GLN C C 124 177.091 176.467 0.624 1 1 985 . 15 1 1 A 82 82 GLN CA C 124 58.672 56.712 1.960 1 1 986 . 15 1 1 A 82 82 GLN CB C 124 28.204 27.656 0.548 1 1 988 . 15 1 1 A 82 82 GLN N N 124 120.420 116.681 3.739 1 1 989 . 15 1 1 A 83 83 ALA H H 125 7.330 7.336 -0.006 1 1 990 . 15 1 1 A 83 83 ALA HA H 125 4.495 4.268 0.227 1 1 994 . 15 1 1 A 83 83 ALA C C 125 176.371 177.348 -0.977 1 1 995 . 15 1 1 A 83 83 ALA CA C 125 52.110 51.953 0.157 1 1 996 . 15 1 1 A 83 83 ALA CB C 125 19.756 19.227 0.529 1 1 997 . 15 1 1 A 83 83 ALA N N 125 119.130 120.456 -1.326 1 1 998 . 15 1 1 A 84 84 GLY H H 126 7.780 7.877 -0.097 1 1 999 . 15 1 1 A 84 84 GLY HA2 H 126 4.111 3.860 0.251 1 1 1000 . 15 1 1 A 84 84 GLY HA3 H 126 3.505 3.909 -0.404 1 1 1001 . 15 1 1 A 84 84 GLY C C 126 173.562 174.275 -0.713 1 1 1002 . 15 1 1 A 84 84 GLY CA C 126 44.610 44.992 -0.382 1 1 1003 . 15 1 1 A 84 84 GLY N N 126 104.120 106.261 -2.141 1 1 1004 . 15 1 1 A 85 85 TYR H H 127 7.910 7.563 0.347 1 1 1005 . 15 1 1 A 85 85 TYR HA H 127 4.551 4.416 0.135 1 1 1012 . 15 1 1 A 85 85 TYR C C 127 177.192 175.816 1.376 1 1 1013 . 15 1 1 A 85 85 TYR CA C 127 59.610 59.439 0.171 1 1 1014 . 15 1 1 A 85 85 TYR CB C 127 37.110 38.681 -1.571 1 1 1015 . 15 1 1 A 85 85 TYR N N 127 120.310 120.075 0.235 1 1 1016 . 15 1 1 A 86 86 LEU H H 128 7.835 9.044 -1.209 1 1 1017 . 15 1 1 A 86 86 LEU HA H 128 4.357 4.519 -0.162 1 1 1027 . 15 1 1 A 86 86 LEU C C 128 178.503 175.962 2.541 1 1 1028 . 15 1 1 A 86 86 LEU CA C 128 54.456 55.511 -1.055 1 1 1029 . 15 1 1 A 86 86 LEU CB C 128 43.203 43.980 -0.777 1 1 1033 . 15 1 1 A 86 86 LEU N N 128 120.100 124.446 -4.346 1 1 1034 . 15 1 1 A 87 87 LYS H H 129 9.330 7.935 1.395 1 1 1035 . 15 1 1 A 87 87 LYS HA H 129 4.512 4.608 -0.096 1 1 1044 . 15 1 1 A 87 87 LYS C C 129 173.251 175.268 -2.017 1 1 1045 . 15 1 1 A 87 87 LYS CA C 129 54.922 55.056 -0.134 1 1 1046 . 15 1 1 A 87 87 LYS CB C 129 31.000 33.208 -2.208 1 1 1050 . 15 1 1 A 87 87 LYS N N 129 125.180 116.879 8.301 1 1 1051 . 15 1 1 A 88 88 ILE H H 130 7.589 8.847 -1.258 1 1 1052 . 15 1 1 A 88 88 ILE HA H 130 5.015 4.539 0.476 1 1 1062 . 15 1 1 A 88 88 ILE C C 130 176.481 175.643 0.838 1 1 1063 . 15 1 1 A 88 88 ILE CA C 130 58.672 59.559 -0.887 1 1 1064 . 15 1 1 A 88 88 ILE CB C 130 40.391 40.844 -0.453 1 1 1068 . 15 1 1 A 88 88 ILE N N 130 122.487 124.365 -1.878 1 1 1069 . 15 1 1 A 89 89 GLY H H 131 8.960 8.752 0.208 1 1 1070 . 15 1 1 A 89 89 GLY HA2 H 131 4.543 2.718 1.825 1 1 1071 . 15 1 1 A 89 89 GLY HA3 H 131 3.488 3.583 -0.095 1 1 1072 . 15 1 1 A 89 89 GLY C C 131 171.936 172.212 -0.276 1 1 1073 . 15 1 1 A 89 89 GLY CA C 131 44.610 44.803 -0.193 1 1 1074 . 15 1 1 A 89 89 GLY N N 131 115.300 115.141 0.159 1 1 1075 . 15 1 1 A 90 90 LEU H H 132 8.610 8.884 -0.274 1 1 1076 . 15 1 1 A 90 90 LEU HA H 132 5.061 4.699 0.362 1 1 1086 . 15 1 1 A 90 90 LEU C C 132 177.246 176.474 0.772 1 1 1087 . 15 1 1 A 90 90 LEU CA C 132 54.453 53.575 0.878 1 1 1088 . 15 1 1 A 90 90 LEU CB C 132 42.735 41.685 1.050 1 1 1092 . 15 1 1 A 90 90 LEU N N 132 124.560 124.824 -0.264 1 1 1093 . 15 1 1 A 91 91 VAL H H 133 8.630 8.638 -0.008 1 1 1094 . 15 1 1 A 91 91 VAL HA H 133 4.299 4.068 0.231 1 1 1102 . 15 1 1 A 91 91 VAL C C 133 176.296 176.879 -0.583 1 1 1103 . 15 1 1 A 91 91 VAL CA C 133 61.953 63.544 -1.591 1 1 1104 . 15 1 1 A 91 91 VAL CB C 133 33.360 31.784 1.576 1 1 1107 . 15 1 1 A 91 91 VAL N N 133 123.280 125.857 -2.577 1 1 1108 . 15 1 1 A 92 92 GLY H H 134 8.620 8.889 -0.269 1 1 1109 . 15 1 1 A 92 92 GLY HA2 H 134 4.154 4.023 0.131 1 1 1110 . 15 1 1 A 92 92 GLY HA3 H 134 4.007 4.028 -0.021 1 1 1111 . 15 1 1 A 92 92 GLY C C 134 174.157 174.499 -0.342 1 1 1112 . 15 1 1 A 92 92 GLY CA C 134 45.097 45.277 -0.180 1 1 1113 . 15 1 1 A 92 92 GLY N N 134 112.500 117.289 -4.789 1 1 1114 . 15 1 1 A 93 93 GLU H H 135 8.278 7.914 0.364 1 1 1115 . 15 1 1 A 93 93 GLU HA H 135 4.387 4.034 0.353 1 1 1120 . 15 1 1 A 93 93 GLU C C 135 176.500 175.209 1.291 1 1 1121 . 15 1 1 A 93 93 GLU CA C 135 56.797 57.239 -0.442 1 1 1122 . 15 1 1 A 93 93 GLU CB C 135 29.141 28.231 0.910 1 1 1124 . 15 1 1 A 93 93 GLU N N 135 119.460 121.336 -1.876 1 1 1125 . 15 1 1 A 94 94 GLU H H 136 8.680 8.052 0.628 1 1 1126 . 15 1 1 A 94 94 GLU HA H 136 4.387 4.750 -0.363 1 1 1131 . 15 1 1 A 94 94 GLU C C 136 176.970 175.867 1.103 1 1 1132 . 15 1 1 A 94 94 GLU CA C 136 56.797 54.929 1.868 1 1 1133 . 15 1 1 A 94 94 GLU CB C 136 29.141 33.928 -4.787 1 1 1135 . 15 1 1 A 94 94 GLU N N 136 121.740 122.326 -0.586 1 1 1136 . 15 1 1 A 95 95 THR H H 137 8.221 8.623 -0.402 1 1 1137 . 15 1 1 A 95 95 THR HA H 137 4.228 4.206 0.022 1 1 1142 . 15 1 1 A 95 95 THR C C 137 174.880 174.720 0.160 1 1 1143 . 15 1 1 A 95 95 THR CA C 137 62.422 64.148 -1.726 1 1 1144 . 15 1 1 A 95 95 THR CB C 137 69.454 68.791 0.663 1 1 1146 . 15 1 1 A 95 95 THR N N 137 115.380 116.362 -0.982 1 1 1147 . 15 1 1 A 96 96 ALA H H 138 8.311 8.492 -0.181 1 1 1148 . 15 1 1 A 96 96 ALA HA H 138 4.233 4.383 -0.150 1 1 1152 . 15 1 1 A 96 96 ALA C C 138 178.469 177.563 0.906 1 1 1153 . 15 1 1 A 96 96 ALA CA C 138 53.516 51.977 1.539 1 1 1154 . 15 1 1 A 96 96 ALA CB C 138 18.828 19.755 -0.927 1 1 1155 . 15 1 1 A 96 96 ALA N N 138 125.688 129.126 -3.438 1 1 1156 . 15 1 1 A 97 97 LYS H H 139 8.210 8.701 -0.491 1 1 1157 . 15 1 1 A 97 97 LYS HA H 139 4.163 4.038 0.125 1 1 1166 . 15 1 1 A 97 97 LYS C C 139 177.154 175.867 1.287 1 1 1167 . 15 1 1 A 97 97 LYS CA C 139 57.265 58.314 -1.049 1 1 1168 . 15 1 1 A 97 97 LYS CB C 139 32.891 31.109 1.782 1 1 1172 . 15 1 1 A 97 97 LYS N N 139 120.110 117.052 3.058 1 1 1173 . 15 1 1 A 98 98 ALA H H 140 8.170 8.204 -0.034 1 1 1174 . 15 1 1 A 98 98 ALA HA H 140 4.209 4.732 -0.523 1 1 1178 . 15 1 1 A 98 98 ALA C C 140 178.469 176.679 1.790 1 1 1179 . 15 1 1 A 98 98 ALA CA C 140 53.516 50.817 2.699 1 1 1180 . 15 1 1 A 98 98 ALA CB C 140 18.828 21.366 -2.538 1 1 1181 . 15 1 1 A 98 98 ALA N N 140 124.210 123.510 0.700 1 1 1 . 16 1 1 A 2 2 ASP H H 44 8.930 8.991 -0.061 1 1 2 . 16 1 1 A 2 2 ASP HA H 44 4.860 4.241 0.619 1 1 5 . 16 1 1 A 2 2 ASP C C 44 175.278 174.823 0.455 1 1 6 . 16 1 1 A 2 2 ASP CA C 44 53.516 54.852 -1.336 1 1 7 . 16 1 1 A 2 2 ASP CB C 44 39.397 39.297 0.100 1 1 8 . 16 1 1 A 2 2 ASP N N 44 122.920 125.908 -2.988 1 1 9 . 16 1 1 A 3 3 VAL H H 45 8.329 7.839 0.490 1 1 10 . 16 1 1 A 3 3 VAL HA H 45 4.120 4.916 -0.796 1 1 18 . 16 1 1 A 3 3 VAL C C 45 175.938 175.507 0.431 1 1 19 . 16 1 1 A 3 3 VAL CA C 45 62.422 58.692 3.730 1 1 20 . 16 1 1 A 3 3 VAL CB C 45 32.300 35.252 -2.952 1 1 23 . 16 1 1 A 3 3 VAL N N 45 121.541 115.934 5.607 1 1 24 . 16 1 1 A 4 4 LYS H H 46 8.400 8.565 -0.165 1 1 25 . 16 1 1 A 4 4 LYS HA H 46 4.387 4.614 -0.227 1 1 34 . 16 1 1 A 4 4 LYS C C 46 176.333 176.252 0.081 1 1 35 . 16 1 1 A 4 4 LYS CA C 46 56.270 55.758 0.512 1 1 36 . 16 1 1 A 4 4 LYS CB C 46 32.874 34.112 -1.238 1 1 40 . 16 1 1 A 4 4 LYS N N 46 125.410 122.679 2.731 1 1 42 . 16 1 1 A 5 5 VAL H H 47 8.190 8.868 -0.678 1 1 43 . 16 1 1 A 5 5 VAL HA H 47 4.118 5.091 -0.973 1 1 51 . 16 1 1 A 5 5 VAL C C 47 175.567 174.839 0.728 1 1 52 . 16 1 1 A 5 5 VAL CA C 47 61.954 58.874 3.080 1 1 53 . 16 1 1 A 5 5 VAL CB C 47 32.443 35.282 -2.839 1 1 56 . 16 1 1 A 5 5 VAL N N 47 121.672 118.960 2.712 1 1 57 . 16 1 1 A 6 6 ASN H H 48 8.571 8.863 -0.292 1 1 58 . 16 1 1 A 6 6 ASN HA H 48 4.750 5.554 -0.804 1 1 61 . 16 1 1 A 6 6 ASN C C 48 174.566 174.231 0.335 1 1 62 . 16 1 1 A 6 6 ASN CA C 48 53.047 50.716 2.331 1 1 63 . 16 1 1 A 6 6 ASN CB C 48 38.901 41.165 -2.264 1 1 64 . 16 1 1 A 6 6 ASN N N 48 123.230 119.521 3.709 1 1 65 . 16 1 1 A 7 7 LEU H H 49 8.286 9.028 -0.742 1 1 66 . 16 1 1 A 7 7 LEU HA H 49 4.632 5.112 -0.480 1 1 76 . 16 1 1 A 7 7 LEU C C 49 175.162 174.248 0.914 1 1 77 . 16 1 1 A 7 7 LEU CA C 49 53.047 51.881 1.166 1 1 78 . 16 1 1 A 7 7 LEU CB C 49 41.825 42.824 -0.999 1 1 82 . 16 1 1 A 7 7 LEU N N 49 124.491 120.378 4.113 1 1 83 . 16 1 1 A 8 8 PRO HA H 50 4.443 4.780 -0.337 1 1 90 . 16 1 1 A 8 8 PRO C C 50 176.734 176.029 0.705 1 1 91 . 16 1 1 A 8 8 PRO CA C 50 62.903 62.635 0.268 1 1 92 . 16 1 1 A 8 8 PRO CB C 50 31.839 32.485 -0.646 1 1 95 . 16 1 1 A 9 9 ALA H H 51 8.424 8.431 -0.007 1 1 96 . 16 1 1 A 9 9 ALA HA H 51 4.330 4.961 -0.631 1 1 100 . 16 1 1 A 9 9 ALA C C 51 178.124 175.451 2.673 1 1 101 . 16 1 1 A 9 9 ALA CA C 51 52.578 51.885 0.693 1 1 102 . 16 1 1 A 9 9 ALA CB C 51 19.297 21.065 -1.768 1 1 103 . 16 1 1 A 9 9 ALA N N 51 124.364 122.567 1.797 1 1 104 . 16 1 1 A 10 10 SER H H 52 8.380 8.753 -0.373 1 1 105 . 16 1 1 A 10 10 SER HA H 52 4.223 5.227 -1.004 1 1 108 . 16 1 1 A 10 10 SER C C 52 174.982 172.622 2.360 1 1 109 . 16 1 1 A 10 10 SER CA C 52 58.672 57.837 0.835 1 1 110 . 16 1 1 A 10 10 SER CB C 52 63.829 64.639 -0.810 1 1 111 . 16 1 1 A 10 10 SER N N 52 114.800 116.985 -2.185 1 1 112 . 16 1 1 A 11 11 THR H H 53 8.227 8.599 -0.372 1 1 113 . 16 1 1 A 11 11 THR HA H 53 4.478 4.735 -0.257 1 1 118 . 16 1 1 A 11 11 THR C C 53 174.612 174.672 -0.060 1 1 119 . 16 1 1 A 11 11 THR CA C 53 61.922 61.114 0.808 1 1 120 . 16 1 1 A 11 11 THR CB C 53 69.922 71.696 -1.774 1 1 122 . 16 1 1 A 11 11 THR N N 53 115.236 117.571 -2.335 1 1 123 . 16 1 1 A 12 12 SER H H 54 8.330 8.554 -0.224 1 1 124 . 16 1 1 A 12 12 SER HA H 54 4.559 4.689 -0.130 1 1 127 . 16 1 1 A 12 12 SER C C 54 174.299 174.094 0.205 1 1 128 . 16 1 1 A 12 12 SER CA C 54 58.204 58.436 -0.232 1 1 129 . 16 1 1 A 12 12 SER CB C 54 63.891 64.058 -0.167 1 1 130 . 16 1 1 A 12 12 SER N N 54 117.770 117.326 0.444 1 1 131 . 16 1 1 A 13 13 THR H H 55 8.274 8.768 -0.494 1 1 132 . 16 1 1 A 13 13 THR HA H 55 4.624 4.992 -0.368 1 1 137 . 16 1 1 A 13 13 THR C C 55 170.400 171.934 -1.534 1 1 138 . 16 1 1 A 13 13 THR CA C 55 60.079 59.271 0.808 1 1 139 . 16 1 1 A 13 13 THR CB C 55 69.922 69.505 0.417 1 1 141 . 16 1 1 A 13 13 THR N N 55 118.865 118.658 0.207 1 1 142 . 16 1 1 A 14 14 PRO HA H 56 4.458 4.654 -0.196 1 1 149 . 16 1 1 A 14 14 PRO C C 56 176.748 176.097 0.651 1 1 150 . 16 1 1 A 14 14 PRO CA C 56 63.076 62.733 0.343 1 1 151 . 16 1 1 A 14 14 PRO CB C 56 32.043 32.068 -0.025 1 1 154 . 16 1 1 A 15 15 GLN H H 57 8.547 8.325 0.222 1 1 155 . 16 1 1 A 15 15 GLN HA H 57 4.620 4.835 -0.215 1 1 160 . 16 1 1 A 15 15 GLN CA C 57 53.600 52.285 1.315 1 1 161 . 16 1 1 A 15 15 GLN CB C 57 29.141 29.946 -0.805 1 1 163 . 16 1 1 A 15 15 GLN N N 57 122.041 120.548 1.493 1 1 165 . 16 1 1 A 16 16 PRO HA H 58 4.458 4.678 -0.220 1 1 172 . 16 1 1 A 16 16 PRO C C 58 176.620 176.412 0.208 1 1 173 . 16 1 1 A 16 16 PRO CA C 58 62.872 62.707 0.165 1 1 174 . 16 1 1 A 16 16 PRO CB C 58 32.111 32.330 -0.219 1 1 177 . 16 1 1 A 17 17 ARG H H 59 8.511 8.520 -0.009 1 1 178 . 16 1 1 A 17 17 ARG HA H 59 4.643 5.051 -0.408 1 1 185 . 16 1 1 A 17 17 ARG CA C 59 53.985 53.452 0.533 1 1 186 . 16 1 1 A 17 17 ARG CB C 59 30.195 33.406 -3.211 1 1 189 . 16 1 1 A 17 17 ARG N N 59 122.731 118.124 4.607 1 1 190 . 16 1 1 A 18 18 PRO HA H 60 4.458 4.608 -0.150 1 1 197 . 16 1 1 A 18 18 PRO C C 60 176.892 175.312 1.580 1 1 198 . 16 1 1 A 18 18 PRO CA C 60 62.940 62.605 0.335 1 1 199 . 16 1 1 A 18 18 PRO CB C 60 32.891 33.070 -0.179 1 1 202 . 16 1 1 A 19 19 GLU H H 61 8.480 8.440 0.040 1 1 203 . 16 1 1 A 19 19 GLU HA H 61 4.391 4.970 -0.579 1 1 208 . 16 1 1 A 19 19 GLU C C 61 176.174 175.335 0.839 1 1 209 . 16 1 1 A 19 19 GLU CA C 61 54.922 54.958 -0.036 1 1 210 . 16 1 1 A 19 19 GLU CB C 61 29.141 32.704 -3.563 1 1 212 . 16 1 1 A 19 19 GLU N N 61 120.840 120.382 0.458 1 1 213 . 16 1 1 A 20 20 LYS H H 62 8.502 8.936 -0.434 1 1 214 . 16 1 1 A 20 20 LYS HA H 62 4.620 4.987 -0.367 1 1 223 . 16 1 1 A 20 20 LYS C C 62 171.420 173.936 -2.516 1 1 224 . 16 1 1 A 20 20 LYS CA C 62 54.827 53.219 1.608 1 1 225 . 16 1 1 A 20 20 LYS CB C 62 32.422 35.726 -3.304 1 1 229 . 16 1 1 A 20 20 LYS N N 62 125.117 121.731 3.386 1 1 230 . 16 1 1 A 21 21 PRO HA H 63 4.448 4.475 -0.027 1 1 237 . 16 1 1 A 21 21 PRO CA C 63 62.261 62.550 -0.289 1 1 238 . 16 1 1 A 21 21 PRO CB C 63 32.422 32.258 0.164 1 1 241 . 16 1 1 A 22 22 VAL H H 64 8.570 8.374 0.196 1 1 242 . 16 1 1 A 22 22 VAL HA H 64 4.097 4.335 -0.238 1 1 250 . 16 1 1 A 22 22 VAL C C 64 173.862 174.925 -1.063 1 1 251 . 16 1 1 A 22 22 VAL CA C 64 61.000 62.043 -1.043 1 1 252 . 16 1 1 A 22 22 VAL CB C 64 33.770 31.294 2.476 1 1 255 . 16 1 1 A 22 22 VAL N N 64 120.453 123.004 -2.551 1 1 256 . 16 1 1 A 23 23 TYR H H 65 8.600 9.114 -0.514 1 1 257 . 16 1 1 A 23 23 TYR HA H 65 5.207 5.356 -0.149 1 1 264 . 16 1 1 A 23 23 TYR C C 65 174.916 173.745 1.171 1 1 265 . 16 1 1 A 23 23 TYR CA C 65 57.210 56.533 0.677 1 1 266 . 16 1 1 A 23 23 TYR CB C 65 39.454 41.925 -2.471 1 1 267 . 16 1 1 A 23 23 TYR N N 65 124.580 128.265 -3.685 1 1 268 . 16 1 1 A 24 24 LEU H H 66 9.186 9.133 0.053 1 1 269 . 16 1 1 A 24 24 LEU HA H 66 5.261 5.104 0.157 1 1 279 . 16 1 1 A 24 24 LEU C C 66 175.491 176.041 -0.550 1 1 280 . 16 1 1 A 24 24 LEU CA C 66 53.516 53.653 -0.137 1 1 281 . 16 1 1 A 24 24 LEU CB C 66 45.078 44.346 0.732 1 1 285 . 16 1 1 A 24 24 LEU N N 66 128.669 128.474 0.195 1 1 286 . 16 1 1 A 25 25 SER H H 67 9.300 8.871 0.429 1 1 287 . 16 1 1 A 25 25 SER HA H 67 5.637 5.379 0.258 1 1 290 . 16 1 1 A 25 25 SER C C 67 173.470 173.688 -0.218 1 1 291 . 16 1 1 A 25 25 SER CA C 67 56.784 57.714 -0.930 1 1 292 . 16 1 1 A 25 25 SER CB C 67 65.267 65.544 -0.277 1 1 293 . 16 1 1 A 25 25 SER N N 67 120.290 118.559 1.731 1 1 294 . 16 1 1 A 26 26 VAL H H 68 8.600 8.756 -0.156 1 1 295 . 16 1 1 A 26 26 VAL HA H 68 4.847 5.234 -0.387 1 1 303 . 16 1 1 A 26 26 VAL C C 68 175.205 174.824 0.381 1 1 304 . 16 1 1 A 26 26 VAL CA C 68 60.950 60.605 0.345 1 1 305 . 16 1 1 A 26 26 VAL CB C 68 33.770 34.498 -0.728 1 1 308 . 16 1 1 A 26 26 VAL N N 68 123.723 124.212 -0.489 1 1 309 . 16 1 1 A 27 27 LYS H H 69 8.760 8.584 0.176 1 1 310 . 16 1 1 A 27 27 LYS HA H 69 4.630 4.843 -0.213 1 1 319 . 16 1 1 A 27 27 LYS C C 69 176.007 176.388 -0.381 1 1 320 . 16 1 1 A 27 27 LYS CA C 69 62.400 54.212 8.188 1 1 321 . 16 1 1 A 27 27 LYS CB C 69 33.820 36.040 -2.220 1 1 325 . 16 1 1 A 27 27 LYS N N 69 126.000 124.449 1.551 1 1 326 . 16 1 1 A 28 28 ALA H H 70 8.728 8.711 0.017 1 1 327 . 16 1 1 A 28 28 ALA HA H 70 4.018 3.888 0.130 1 1 331 . 16 1 1 A 28 28 ALA C C 70 177.852 176.583 1.269 1 1 332 . 16 1 1 A 28 28 ALA CA C 70 53.985 54.914 -0.929 1 1 333 . 16 1 1 A 28 28 ALA CB C 70 19.297 18.013 1.284 1 1 334 . 16 1 1 A 28 28 ALA N N 70 124.480 120.744 3.736 1 1 335 . 16 1 1 A 29 29 ASP H H 71 8.256 8.634 -0.378 1 1 336 . 16 1 1 A 29 29 ASP HA H 71 4.497 4.841 -0.344 1 1 339 . 16 1 1 A 29 29 ASP C C 71 176.455 176.197 0.258 1 1 340 . 16 1 1 A 29 29 ASP CA C 71 53.985 55.318 -1.333 1 1 341 . 16 1 1 A 29 29 ASP CB C 71 39.315 44.182 -4.867 1 1 342 . 16 1 1 A 29 29 ASP N N 71 118.722 115.636 3.086 1 1 343 . 16 1 1 A 30 30 ASN H H 72 8.380 7.897 0.483 1 1 344 . 16 1 1 A 30 30 ASN HA H 72 4.374 4.944 -0.570 1 1 349 . 16 1 1 A 30 30 ASN C C 72 174.641 173.912 0.729 1 1 350 . 16 1 1 A 30 30 ASN CA C 72 54.453 52.502 1.951 1 1 351 . 16 1 1 A 30 30 ASN CB C 72 37.579 39.346 -1.767 1 1 352 . 16 1 1 A 30 30 ASN N N 72 113.000 117.932 -4.932 1 1 353 . 16 1 1 A 31 31 SER H H 73 7.710 7.598 0.112 1 1 354 . 16 1 1 A 31 31 SER HA H 73 4.404 5.008 -0.604 1 1 357 . 16 1 1 A 31 31 SER C C 73 172.527 173.660 -1.133 1 1 358 . 16 1 1 A 31 31 SER CA C 73 58.672 56.860 1.812 1 1 359 . 16 1 1 A 31 31 SER CB C 73 63.303 64.510 -1.207 1 1 360 . 16 1 1 A 31 31 SER N N 73 115.080 113.555 1.525 1 1 361 . 16 1 1 A 32 32 MET H H 74 8.065 8.679 -0.614 1 1 362 . 16 1 1 A 32 32 MET HA H 74 5.573 5.267 0.306 1 1 370 . 16 1 1 A 32 32 MET C C 74 174.974 175.751 -0.777 1 1 371 . 16 1 1 A 32 32 MET CA C 74 54.397 54.444 -0.047 1 1 372 . 16 1 1 A 32 32 MET CB C 74 37.579 32.869 4.710 1 1 375 . 16 1 1 A 32 32 MET N N 74 121.780 125.611 -3.831 1 1 376 . 16 1 1 A 33 33 PHE H H 75 8.900 9.219 -0.319 1 1 377 . 16 1 1 A 33 33 PHE HA H 75 5.190 4.867 0.323 1 1 384 . 16 1 1 A 33 33 PHE C C 75 175.228 174.592 0.636 1 1 385 . 16 1 1 A 33 33 PHE CA C 75 56.797 57.951 -1.154 1 1 386 . 16 1 1 A 33 33 PHE CB C 75 44.141 40.831 3.310 1 1 387 . 16 1 1 A 33 33 PHE N N 75 118.800 123.086 -4.286 1 1 388 . 16 1 1 A 34 34 ILE H H 76 8.830 8.467 0.363 1 1 389 . 16 1 1 A 34 34 ILE HA H 76 4.851 4.240 0.611 1 1 399 . 16 1 1 A 34 34 ILE C C 76 177.606 178.385 -0.779 1 1 400 . 16 1 1 A 34 34 ILE CA C 76 59.610 61.529 -1.919 1 1 401 . 16 1 1 A 34 34 ILE CB C 76 37.990 38.179 -0.189 1 1 405 . 16 1 1 A 34 34 ILE N N 76 121.330 128.146 -6.816 1 1 406 . 16 1 1 A 35 35 GLY H H 77 9.177 8.676 0.501 1 1 407 . 16 1 1 A 35 35 GLY HA2 H 77 4.139 3.823 0.316 1 1 408 . 16 1 1 A 35 35 GLY HA3 H 77 3.742 3.842 -0.100 1 1 409 . 16 1 1 A 35 35 GLY C C 77 174.757 175.076 -0.319 1 1 410 . 16 1 1 A 35 35 GLY CA C 77 47.422 47.306 0.116 1 1 411 . 16 1 1 A 35 35 GLY N N 77 118.894 113.807 5.087 1 1 412 . 16 1 1 A 36 36 ASN H H 78 9.170 8.000 1.170 1 1 413 . 16 1 1 A 36 36 ASN HA H 78 4.846 4.992 -0.146 1 1 416 . 16 1 1 A 36 36 ASN C C 78 174.867 173.725 1.142 1 1 417 . 16 1 1 A 36 36 ASN CA C 78 52.578 52.315 0.263 1 1 418 . 16 1 1 A 36 36 ASN CB C 78 38.985 39.017 -0.032 1 1 419 . 16 1 1 A 36 36 ASN N N 78 125.494 117.650 7.844 1 1 420 . 16 1 1 A 37 37 ASP H H 79 8.590 7.668 0.922 1 1 421 . 16 1 1 A 37 37 ASP HA H 79 5.330 4.949 0.381 1 1 424 . 16 1 1 A 37 37 ASP C C 79 173.009 173.451 -0.442 1 1 425 . 16 1 1 A 37 37 ASP CA C 79 51.172 52.355 -1.183 1 1 426 . 16 1 1 A 37 37 ASP CB C 79 39.922 41.117 -1.195 1 1 427 . 16 1 1 A 37 37 ASP N N 79 121.409 122.711 -1.302 1 1 428 . 16 1 1 A 38 38 PRO HA H 80 4.320 4.424 -0.104 1 1 435 . 16 1 1 A 38 38 PRO C C 80 176.862 176.158 0.704 1 1 436 . 16 1 1 A 38 38 PRO CA C 80 62.422 62.281 0.141 1 1 437 . 16 1 1 A 38 38 PRO CB C 80 32.890 31.620 1.270 1 1 440 . 16 1 1 A 39 39 VAL H H 81 8.001 7.963 0.038 1 1 441 . 16 1 1 A 39 39 VAL HA H 81 4.522 4.849 -0.327 1 1 449 . 16 1 1 A 39 39 VAL C C 81 173.912 174.015 -0.103 1 1 450 . 16 1 1 A 39 39 VAL CA C 81 59.141 59.464 -0.323 1 1 451 . 16 1 1 A 39 39 VAL CB C 81 36.172 36.371 -0.199 1 1 454 . 16 1 1 A 39 39 VAL N N 81 115.450 116.647 -1.197 1 1 455 . 16 1 1 A 40 40 THR H H 82 7.672 8.545 -0.873 1 1 456 . 16 1 1 A 40 40 THR HA H 82 4.746 4.957 -0.211 1 1 461 . 16 1 1 A 40 40 THR C C 82 175.692 174.588 1.104 1 1 462 . 16 1 1 A 40 40 THR CA C 82 59.121 59.170 -0.049 1 1 463 . 16 1 1 A 40 40 THR CB C 82 72.735 71.912 0.823 1 1 465 . 16 1 1 A 40 40 THR N N 82 110.320 110.615 -0.295 1 1 466 . 16 1 1 A 41 41 ASP H H 83 9.370 8.981 0.389 1 1 467 . 16 1 1 A 41 41 ASP HA H 83 4.314 4.518 -0.204 1 1 470 . 16 1 1 A 41 41 ASP C C 83 176.943 177.195 -0.252 1 1 471 . 16 1 1 A 41 41 ASP CA C 83 56.797 56.055 0.742 1 1 472 . 16 1 1 A 41 41 ASP CB C 83 38.047 40.888 -2.841 1 1 473 . 16 1 1 A 41 41 ASP N N 83 118.710 121.835 -3.125 1 1 474 . 16 1 1 A 42 42 GLU H H 84 8.228 8.085 0.143 1 1 475 . 16 1 1 A 42 42 GLU HA H 84 4.336 4.205 0.131 1 1 480 . 16 1 1 A 42 42 GLU C C 84 177.827 177.812 0.015 1 1 481 . 16 1 1 A 42 42 GLU CA C 84 58.204 58.527 -0.323 1 1 482 . 16 1 1 A 42 42 GLU CB C 84 29.141 30.112 -0.971 1 1 484 . 16 1 1 A 42 42 GLU N N 84 115.213 119.520 -4.307 1 1 485 . 16 1 1 A 43 43 THR H H 85 7.510 7.852 -0.342 1 1 486 . 16 1 1 A 43 43 THR HA H 85 4.664 4.577 0.087 1 1 491 . 16 1 1 A 43 43 THR C C 85 175.799 175.413 0.386 1 1 492 . 16 1 1 A 43 43 THR CA C 85 61.395 60.861 0.534 1 1 493 . 16 1 1 A 43 43 THR CB C 85 70.391 69.400 0.991 1 1 495 . 16 1 1 A 43 43 THR N N 85 108.315 113.395 -5.080 1 1 496 . 16 1 1 A 44 44 MET H H 86 7.900 7.960 -0.060 1 1 497 . 16 1 1 A 44 44 MET HA H 86 3.820 4.265 -0.445 1 1 505 . 16 1 1 A 44 44 MET C C 86 176.605 178.402 -1.797 1 1 506 . 16 1 1 A 44 44 MET CA C 86 60.547 57.944 2.603 1 1 507 . 16 1 1 A 44 44 MET CB C 86 32.422 32.154 0.268 1 1 510 . 16 1 1 A 44 44 MET N N 86 121.500 120.228 1.272 1 1 511 . 16 1 1 A 45 45 ILE H H 87 8.430 7.947 0.483 1 1 512 . 16 1 1 A 45 45 ILE HA H 87 3.686 3.724 -0.038 1 1 522 . 16 1 1 A 45 45 ILE C C 87 177.773 178.194 -0.421 1 1 523 . 16 1 1 A 45 45 ILE CA C 87 62.934 64.684 -1.750 1 1 524 . 16 1 1 A 45 45 ILE CB C 87 34.766 37.863 -3.097 1 1 528 . 16 1 1 A 45 45 ILE N N 87 117.970 120.065 -2.095 1 1 529 . 16 1 1 A 46 46 THR H H 88 8.070 8.299 -0.229 1 1 530 . 16 1 1 A 46 46 THR HA H 88 3.953 3.818 0.135 1 1 535 . 16 1 1 A 46 46 THR C C 88 177.011 176.893 0.118 1 1 536 . 16 1 1 A 46 46 THR CA C 88 66.640 65.799 0.841 1 1 537 . 16 1 1 A 46 46 THR CB C 88 68.000 68.875 -0.875 1 1 539 . 16 1 1 A 46 46 THR N N 88 116.920 114.560 2.360 1 1 540 . 16 1 1 A 47 47 ALA H H 89 7.710 7.866 -0.156 1 1 541 . 16 1 1 A 47 47 ALA HA H 89 4.240 4.112 0.128 1 1 545 . 16 1 1 A 47 47 ALA C C 89 174.356 180.107 -5.751 1 1 546 . 16 1 1 A 47 47 ALA CA C 89 55.094 54.895 0.199 1 1 547 . 16 1 1 A 47 47 ALA CB C 89 18.828 18.434 0.394 1 1 548 . 16 1 1 A 47 47 ALA N N 89 123.490 123.347 0.143 1 1 549 . 16 1 1 A 48 48 LEU H H 90 8.570 7.953 0.617 1 1 550 . 16 1 1 A 48 48 LEU HA H 90 3.445 4.064 -0.619 1 1 560 . 16 1 1 A 48 48 LEU C C 90 178.088 179.174 -1.086 1 1 561 . 16 1 1 A 48 48 LEU CA C 90 67.110 58.228 8.882 1 1 562 . 16 1 1 A 48 48 LEU CB C 90 31.420 41.771 -10.351 1 1 566 . 16 1 1 A 48 48 LEU N N 90 119.800 120.088 -0.288 1 1 567 . 16 1 1 A 49 49 ASN H H 91 8.979 8.296 0.683 1 1 568 . 16 1 1 A 49 49 ASN HA H 91 4.494 4.837 -0.343 1 1 571 . 16 1 1 A 49 49 ASN C C 91 178.227 177.804 0.423 1 1 572 . 16 1 1 A 49 49 ASN CA C 91 54.397 56.151 -1.754 1 1 573 . 16 1 1 A 49 49 ASN CB C 91 37.578 38.120 -0.542 1 1 574 . 16 1 1 A 49 49 ASN N N 91 117.500 117.546 -0.046 1 1 575 . 16 1 1 A 50 50 ALA H H 92 7.710 7.597 0.113 1 1 576 . 16 1 1 A 50 50 ALA HA H 92 4.232 4.129 0.103 1 1 580 . 16 1 1 A 50 50 ALA C C 92 180.155 180.149 0.006 1 1 581 . 16 1 1 A 50 50 ALA CA C 92 54.886 54.961 -0.075 1 1 582 . 16 1 1 A 50 50 ALA CB C 92 17.962 18.442 -0.480 1 1 583 . 16 1 1 A 50 50 ALA N N 92 120.900 122.906 -2.006 1 1 584 . 16 1 1 A 51 51 LEU H H 93 7.670 7.711 -0.041 1 1 585 . 16 1 1 A 51 51 LEU HA H 93 4.340 4.180 0.160 1 1 595 . 16 1 1 A 51 51 LEU C C 93 179.407 179.202 0.205 1 1 596 . 16 1 1 A 51 51 LEU CA C 93 56.829 57.615 -0.786 1 1 597 . 16 1 1 A 51 51 LEU CB C 93 42.734 42.299 0.435 1 1 601 . 16 1 1 A 51 51 LEU N N 93 117.980 119.869 -1.889 1 1 602 . 16 1 1 A 52 52 THR H H 94 8.530 8.323 0.207 1 1 603 . 16 1 1 A 52 52 THR HA H 94 4.437 4.231 0.206 1 1 608 . 16 1 1 A 52 52 THR C C 94 177.112 174.791 2.321 1 1 609 . 16 1 1 A 52 52 THR CA C 94 61.485 63.214 -1.729 1 1 610 . 16 1 1 A 52 52 THR CB C 94 70.860 70.143 0.717 1 1 612 . 16 1 1 A 52 52 THR N N 94 107.010 109.321 -2.311 1 1 613 . 16 1 1 A 53 53 GLU H H 95 8.001 8.127 -0.126 1 1 614 . 16 1 1 A 53 53 GLU HA H 95 4.062 3.925 0.137 1 1 619 . 16 1 1 A 53 53 GLU C C 95 176.199 175.845 0.354 1 1 620 . 16 1 1 A 53 53 GLU CA C 95 56.797 57.408 -0.611 1 1 621 . 16 1 1 A 53 53 GLU CB C 95 26.346 28.535 -2.189 1 1 623 . 16 1 1 A 53 53 GLU N N 95 117.560 121.457 -3.897 1 1 624 . 16 1 1 A 54 54 GLY H H 96 8.349 8.509 -0.160 1 1 625 . 16 1 1 A 54 54 GLY HA2 H 96 4.120 3.874 0.246 1 1 626 . 16 1 1 A 54 54 GLY HA3 H 96 3.520 3.886 -0.366 1 1 627 . 16 1 1 A 54 54 GLY C C 96 174.264 174.106 0.158 1 1 628 . 16 1 1 A 54 54 GLY CA C 96 44.600 46.822 -2.222 1 1 629 . 16 1 1 A 54 54 GLY N N 96 105.347 105.410 -0.063 1 1 630 . 16 1 1 A 55 55 LYS H H 97 7.400 7.977 -0.577 1 1 631 . 16 1 1 A 55 55 LYS HA H 97 4.386 4.487 -0.101 1 1 640 . 16 1 1 A 55 55 LYS C C 97 177.395 175.667 1.728 1 1 641 . 16 1 1 A 55 55 LYS CA C 97 56.797 55.218 1.579 1 1 642 . 16 1 1 A 55 55 LYS CB C 97 30.522 33.082 -2.560 1 1 646 . 16 1 1 A 55 55 LYS N N 97 120.080 119.888 0.192 1 1 647 . 16 1 1 A 56 56 LYS H H 98 8.510 8.550 -0.040 1 1 648 . 16 1 1 A 56 56 LYS HA H 98 3.940 4.580 -0.640 1 1 657 . 16 1 1 A 56 56 LYS C C 98 176.420 178.489 -2.069 1 1 658 . 16 1 1 A 56 56 LYS CA C 98 56.741 57.502 -0.761 1 1 659 . 16 1 1 A 56 56 LYS CB C 98 30.079 33.170 -3.091 1 1 663 . 16 1 1 A 56 56 LYS N N 98 126.202 125.092 1.110 1 1 664 . 16 1 1 A 57 57 ASP H H 99 8.510 8.071 0.439 1 1 665 . 16 1 1 A 57 57 ASP HA H 99 4.570 4.410 0.160 1 1 668 . 16 1 1 A 57 57 ASP C C 99 174.777 177.643 -2.866 1 1 669 . 16 1 1 A 57 57 ASP CA C 99 52.991 57.603 -4.612 1 1 670 . 16 1 1 A 57 57 ASP CB C 99 38.516 40.569 -2.053 1 1 671 . 16 1 1 A 57 57 ASP N N 99 116.900 119.455 -2.555 1 1 672 . 16 1 1 A 58 58 THR H H 100 7.400 7.656 -0.256 1 1 673 . 16 1 1 A 58 58 THR HA H 100 3.971 4.209 -0.238 1 1 678 . 16 1 1 A 58 58 THR C C 100 172.742 174.405 -1.663 1 1 679 . 16 1 1 A 58 58 THR CA C 100 63.360 64.216 -0.856 1 1 680 . 16 1 1 A 58 58 THR CB C 100 70.391 69.345 1.046 1 1 682 . 16 1 1 A 58 58 THR N N 100 117.350 115.396 1.954 1 1 683 . 16 1 1 A 59 59 THR H H 101 8.414 8.716 -0.302 1 1 684 . 16 1 1 A 59 59 THR HA H 101 4.174 4.535 -0.361 1 1 689 . 16 1 1 A 59 59 THR C C 101 172.505 174.226 -1.721 1 1 690 . 16 1 1 A 59 59 THR CA C 101 63.829 64.219 -0.390 1 1 691 . 16 1 1 A 59 59 THR CB C 101 69.454 69.024 0.430 1 1 693 . 16 1 1 A 59 59 THR N N 101 123.260 122.503 0.757 1 1 694 . 16 1 1 A 60 60 ILE H H 102 8.190 8.618 -0.428 1 1 695 . 16 1 1 A 60 60 ILE HA H 102 4.399 4.830 -0.431 1 1 705 . 16 1 1 A 60 60 ILE C C 102 175.119 175.061 0.058 1 1 706 . 16 1 1 A 60 60 ILE CA C 102 58.204 60.090 -1.886 1 1 707 . 16 1 1 A 60 60 ILE CB C 102 38.047 40.137 -2.090 1 1 711 . 16 1 1 A 60 60 ILE N N 102 126.467 128.163 -1.696 1 1 712 . 16 1 1 A 61 61 PHE H H 103 8.900 8.754 0.146 1 1 713 . 16 1 1 A 61 61 PHE HA H 103 5.204 5.203 0.001 1 1 720 . 16 1 1 A 61 61 PHE C C 103 174.877 174.783 0.094 1 1 721 . 16 1 1 A 61 61 PHE CA C 103 57.266 56.362 0.904 1 1 722 . 16 1 1 A 61 61 PHE CB C 103 40.860 39.726 1.134 1 1 723 . 16 1 1 A 61 61 PHE N N 103 125.650 126.913 -1.263 1 1 724 . 16 1 1 A 62 62 PHE H H 104 9.110 8.869 0.241 1 1 725 . 16 1 1 A 62 62 PHE HA H 104 5.590 4.885 0.705 1 1 732 . 16 1 1 A 62 62 PHE C C 104 174.407 173.907 0.500 1 1 733 . 16 1 1 A 62 62 PHE CA C 104 54.922 56.795 -1.873 1 1 734 . 16 1 1 A 62 62 PHE CB C 104 41.300 39.718 1.582 1 1 735 . 16 1 1 A 62 62 PHE N N 104 123.447 124.563 -1.116 1 1 736 . 16 1 1 A 63 63 ARG H H 105 9.020 8.758 0.262 1 1 737 . 16 1 1 A 63 63 ARG HA H 105 4.830 4.933 -0.103 1 1 744 . 16 1 1 A 63 63 ARG C C 105 173.862 175.260 -1.398 1 1 745 . 16 1 1 A 63 63 ARG CA C 105 54.453 55.006 -0.553 1 1 746 . 16 1 1 A 63 63 ARG CB C 105 32.422 31.624 0.798 1 1 749 . 16 1 1 A 63 63 ARG N N 105 126.020 129.098 -3.078 1 1 750 . 16 1 1 A 64 64 ALA H H 106 8.640 8.860 -0.220 1 1 751 . 16 1 1 A 64 64 ALA HA H 106 5.223 5.076 0.147 1 1 755 . 16 1 1 A 64 64 ALA C C 106 176.565 175.601 0.964 1 1 756 . 16 1 1 A 64 64 ALA CA C 106 50.235 49.985 0.250 1 1 757 . 16 1 1 A 64 64 ALA CB C 106 22.110 23.404 -1.294 1 1 758 . 16 1 1 A 64 64 ALA N N 106 126.540 126.445 0.095 1 1 759 . 16 1 1 A 65 65 ASP H H 107 7.900 8.439 -0.539 1 1 760 . 16 1 1 A 65 65 ASP HA H 107 4.685 4.666 0.019 1 1 763 . 16 1 1 A 65 65 ASP C C 107 176.987 177.538 -0.551 1 1 764 . 16 1 1 A 65 65 ASP CA C 107 54.453 54.402 0.051 1 1 765 . 16 1 1 A 65 65 ASP CB C 107 42.209 41.595 0.614 1 1 766 . 16 1 1 A 65 65 ASP N N 107 121.600 118.839 2.761 1 1 767 . 16 1 1 A 66 66 LYS H H 108 8.700 8.809 -0.109 1 1 768 . 16 1 1 A 66 66 LYS HA H 108 4.221 4.071 0.150 1 1 777 . 16 1 1 A 66 66 LYS C C 108 177.007 178.202 -1.195 1 1 778 . 16 1 1 A 66 66 LYS CA C 108 58.682 58.433 0.249 1 1 779 . 16 1 1 A 66 66 LYS CB C 108 32.422 31.895 0.527 1 1 783 . 16 1 1 A 66 66 LYS N N 108 120.740 121.204 -0.464 1 1 784 . 16 1 1 A 67 67 THR H H 109 8.035 7.670 0.365 1 1 785 . 16 1 1 A 67 67 THR HA H 109 4.270 4.322 -0.052 1 1 790 . 16 1 1 A 67 67 THR C C 109 175.031 174.878 0.153 1 1 791 . 16 1 1 A 67 67 THR CA C 109 62.422 64.462 -2.040 1 1 792 . 16 1 1 A 67 67 THR CB C 109 68.985 68.980 0.005 1 1 794 . 16 1 1 A 67 67 THR N N 109 108.086 113.663 -5.577 1 1 795 . 16 1 1 A 68 68 VAL H H 110 7.470 7.134 0.336 1 1 796 . 16 1 1 A 68 68 VAL HA H 110 3.960 3.965 -0.005 1 1 804 . 16 1 1 A 68 68 VAL C C 110 175.691 175.773 -0.082 1 1 805 . 16 1 1 A 68 68 VAL CA C 110 63.360 63.237 0.123 1 1 806 . 16 1 1 A 68 68 VAL CB C 110 32.422 31.859 0.563 1 1 809 . 16 1 1 A 68 68 VAL N N 110 123.270 122.825 0.445 1 1 810 . 16 1 1 A 69 69 ASP H H 111 8.710 8.905 -0.195 1 1 811 . 16 1 1 A 69 69 ASP HA H 111 4.645 4.951 -0.306 1 1 814 . 16 1 1 A 69 69 ASP C C 111 176.150 177.684 -1.534 1 1 815 . 16 1 1 A 69 69 ASP CA C 111 53.989 53.525 0.464 1 1 816 . 16 1 1 A 69 69 ASP CB C 111 41.328 42.109 -0.781 1 1 817 . 16 1 1 A 69 69 ASP N N 111 126.170 126.544 -0.374 1 1 818 . 16 1 1 A 70 70 TYR H H 112 8.840 8.978 -0.138 1 1 819 . 16 1 1 A 70 70 TYR HA H 112 4.056 4.164 -0.108 1 1 826 . 16 1 1 A 70 70 TYR C C 112 177.075 177.609 -0.534 1 1 827 . 16 1 1 A 70 70 TYR CA C 112 61.890 61.469 0.421 1 1 828 . 16 1 1 A 70 70 TYR CB C 112 38.980 38.756 0.224 1 1 829 . 16 1 1 A 70 70 TYR N N 112 123.360 123.106 0.254 1 1 830 . 16 1 1 A 71 71 GLU H H 113 8.550 8.060 0.490 1 1 831 . 16 1 1 A 71 71 GLU HA H 113 3.904 3.937 -0.033 1 1 836 . 16 1 1 A 71 71 GLU C C 113 179.338 178.768 0.570 1 1 837 . 16 1 1 A 71 71 GLU CA C 113 59.610 58.856 0.754 1 1 838 . 16 1 1 A 71 71 GLU CB C 113 27.765 29.572 -1.807 1 1 840 . 16 1 1 A 71 71 GLU N N 113 116.730 118.953 -2.223 1 1 841 . 16 1 1 A 72 72 THR H H 114 7.780 8.066 -0.286 1 1 842 . 16 1 1 A 72 72 THR HA H 114 4.320 3.989 0.331 1 1 847 . 16 1 1 A 72 72 THR C C 114 175.987 176.636 -0.649 1 1 848 . 16 1 1 A 72 72 THR CA C 114 67.579 65.798 1.781 1 1 849 . 16 1 1 A 72 72 THR CB C 114 66.640 68.371 -1.731 1 1 851 . 16 1 1 A 72 72 THR N N 114 117.340 114.348 2.992 1 1 852 . 16 1 1 A 73 73 LEU H H 115 7.570 7.697 -0.127 1 1 853 . 16 1 1 A 73 73 LEU HA H 115 3.838 4.035 -0.197 1 1 863 . 16 1 1 A 73 73 LEU C C 115 178.670 178.571 0.099 1 1 864 . 16 1 1 A 73 73 LEU CA C 115 58.203 57.882 0.321 1 1 865 . 16 1 1 A 73 73 LEU CB C 115 40.860 41.210 -0.350 1 1 868 . 16 1 1 A 73 73 LEU N N 115 120.510 119.176 1.334 1 1 869 . 16 1 1 A 74 74 MET H H 116 8.280 7.586 0.694 1 1 870 . 16 1 1 A 74 74 MET HA H 116 4.100 4.148 -0.048 1 1 878 . 16 1 1 A 74 74 MET C C 116 178.503 178.349 0.154 1 1 879 . 16 1 1 A 74 74 MET CA C 116 57.210 57.982 -0.772 1 1 880 . 16 1 1 A 74 74 MET CB C 116 32.400 31.846 0.554 1 1 883 . 16 1 1 A 74 74 MET N N 116 116.240 118.905 -2.665 1 1 884 . 16 1 1 A 75 75 LYS H H 117 7.755 7.395 0.360 1 1 885 . 16 1 1 A 75 75 LYS HA H 117 4.146 4.031 0.115 1 1 894 . 16 1 1 A 75 75 LYS C C 117 173.559 179.434 -5.875 1 1 895 . 16 1 1 A 75 75 LYS CA C 117 59.610 59.037 0.573 1 1 896 . 16 1 1 A 75 75 LYS CB C 117 31.495 32.581 -1.086 1 1 900 . 16 1 1 A 75 75 LYS N N 117 120.230 119.466 0.764 1 1 901 . 16 1 1 A 76 76 VAL H H 118 7.880 7.887 -0.007 1 1 902 . 16 1 1 A 76 76 VAL HA H 118 3.598 3.795 -0.197 1 1 910 . 16 1 1 A 76 76 VAL C C 118 178.205 178.104 0.101 1 1 911 . 16 1 1 A 76 76 VAL CA C 118 66.641 65.346 1.295 1 1 912 . 16 1 1 A 76 76 VAL CB C 118 31.485 31.462 0.023 1 1 915 . 16 1 1 A 76 76 VAL N N 118 120.500 116.161 4.339 1 1 916 . 16 1 1 A 77 77 MET H H 119 8.262 7.689 0.573 1 1 917 . 16 1 1 A 77 77 MET HA H 119 3.904 4.053 -0.149 1 1 925 . 16 1 1 A 77 77 MET C C 119 178.200 177.897 0.303 1 1 926 . 16 1 1 A 77 77 MET CA C 119 59.610 58.787 0.823 1 1 927 . 16 1 1 A 77 77 MET CB C 119 32.422 32.648 -0.226 1 1 930 . 16 1 1 A 77 77 MET N N 119 118.320 120.119 -1.799 1 1 931 . 16 1 1 A 78 78 ASP H H 120 8.720 7.862 0.858 1 1 932 . 16 1 1 A 78 78 ASP HA H 120 4.400 4.334 0.066 1 1 935 . 16 1 1 A 78 78 ASP C C 120 178.216 178.856 -0.640 1 1 936 . 16 1 1 A 78 78 ASP CA C 120 56.797 56.878 -0.081 1 1 937 . 16 1 1 A 78 78 ASP CB C 120 38.980 40.147 -1.167 1 1 938 . 16 1 1 A 78 78 ASP N N 120 117.800 119.134 -1.334 1 1 939 . 16 1 1 A 79 79 THR H H 121 8.040 8.158 -0.118 1 1 940 . 16 1 1 A 79 79 THR HA H 121 3.939 3.968 -0.029 1 1 945 . 16 1 1 A 79 79 THR C C 121 176.582 176.530 0.052 1 1 946 . 16 1 1 A 79 79 THR CA C 121 66.641 67.125 -0.484 1 1 947 . 16 1 1 A 79 79 THR CB C 121 68.516 68.716 -0.200 1 1 949 . 16 1 1 A 79 79 THR N N 121 118.470 117.937 0.533 1 1 950 . 16 1 1 A 80 80 LEU H H 122 7.931 8.143 -0.212 1 1 951 . 16 1 1 A 80 80 LEU HA H 122 4.136 4.121 0.015 1 1 961 . 16 1 1 A 80 80 LEU C C 122 178.936 178.973 -0.037 1 1 962 . 16 1 1 A 80 80 LEU CA C 122 58.672 57.977 0.695 1 1 963 . 16 1 1 A 80 80 LEU CB C 122 41.328 41.258 0.070 1 1 967 . 16 1 1 A 80 80 LEU N N 122 121.676 118.977 2.699 1 1 968 . 16 1 1 A 81 81 HIS H H 123 8.825 7.840 0.985 1 1 969 . 16 1 1 A 81 81 HIS HA H 123 4.455 4.269 0.186 1 1 974 . 16 1 1 A 81 81 HIS C C 123 179.780 177.219 2.561 1 1 975 . 16 1 1 A 81 81 HIS CA C 123 57.732 59.650 -1.918 1 1 976 . 16 1 1 A 81 81 HIS CB C 123 28.672 30.269 -1.597 1 1 977 . 16 1 1 A 81 81 HIS N N 123 117.910 118.511 -0.601 1 1 978 . 16 1 1 A 82 82 GLN H H 124 8.740 7.819 0.921 1 1 979 . 16 1 1 A 82 82 GLN HA H 124 4.092 4.136 -0.044 1 1 984 . 16 1 1 A 82 82 GLN C C 124 177.091 176.920 0.171 1 1 985 . 16 1 1 A 82 82 GLN CA C 124 58.672 57.152 1.520 1 1 986 . 16 1 1 A 82 82 GLN CB C 124 28.204 28.185 0.019 1 1 988 . 16 1 1 A 82 82 GLN N N 124 120.420 116.505 3.915 1 1 989 . 16 1 1 A 83 83 ALA H H 125 7.330 7.337 -0.007 1 1 990 . 16 1 1 A 83 83 ALA HA H 125 4.495 4.280 0.215 1 1 994 . 16 1 1 A 83 83 ALA C C 125 176.371 177.370 -0.999 1 1 995 . 16 1 1 A 83 83 ALA CA C 125 52.110 52.037 0.073 1 1 996 . 16 1 1 A 83 83 ALA CB C 125 19.756 19.507 0.249 1 1 997 . 16 1 1 A 83 83 ALA N N 125 119.130 119.361 -0.231 1 1 998 . 16 1 1 A 84 84 GLY H H 126 7.780 7.847 -0.067 1 1 999 . 16 1 1 A 84 84 GLY HA2 H 126 4.111 3.875 0.236 1 1 1000 . 16 1 1 A 84 84 GLY HA3 H 126 3.505 3.930 -0.425 1 1 1001 . 16 1 1 A 84 84 GLY C C 126 173.562 174.265 -0.703 1 1 1002 . 16 1 1 A 84 84 GLY CA C 126 44.610 45.102 -0.492 1 1 1003 . 16 1 1 A 84 84 GLY N N 126 104.120 106.271 -2.151 1 1 1004 . 16 1 1 A 85 85 TYR H H 127 7.910 7.541 0.369 1 1 1005 . 16 1 1 A 85 85 TYR HA H 127 4.551 4.386 0.165 1 1 1012 . 16 1 1 A 85 85 TYR C C 127 177.192 175.898 1.294 1 1 1013 . 16 1 1 A 85 85 TYR CA C 127 59.610 59.400 0.210 1 1 1014 . 16 1 1 A 85 85 TYR CB C 127 37.110 38.685 -1.575 1 1 1015 . 16 1 1 A 85 85 TYR N N 127 120.310 120.142 0.168 1 1 1016 . 16 1 1 A 86 86 LEU H H 128 7.835 8.938 -1.103 1 1 1017 . 16 1 1 A 86 86 LEU HA H 128 4.357 4.665 -0.308 1 1 1027 . 16 1 1 A 86 86 LEU C C 128 178.503 175.925 2.578 1 1 1028 . 16 1 1 A 86 86 LEU CA C 128 54.456 54.341 0.115 1 1 1029 . 16 1 1 A 86 86 LEU CB C 128 43.203 43.529 -0.326 1 1 1033 . 16 1 1 A 86 86 LEU N N 128 120.100 125.133 -5.033 1 1 1034 . 16 1 1 A 87 87 LYS H H 129 9.330 7.729 1.601 1 1 1035 . 16 1 1 A 87 87 LYS HA H 129 4.512 4.563 -0.051 1 1 1044 . 16 1 1 A 87 87 LYS C C 129 173.251 174.903 -1.652 1 1 1045 . 16 1 1 A 87 87 LYS CA C 129 54.922 55.340 -0.418 1 1 1046 . 16 1 1 A 87 87 LYS CB C 129 31.000 33.324 -2.324 1 1 1050 . 16 1 1 A 87 87 LYS N N 129 125.180 118.600 6.580 1 1 1051 . 16 1 1 A 88 88 ILE H H 130 7.589 8.596 -1.007 1 1 1052 . 16 1 1 A 88 88 ILE HA H 130 5.015 4.609 0.406 1 1 1062 . 16 1 1 A 88 88 ILE C C 130 176.481 175.709 0.772 1 1 1063 . 16 1 1 A 88 88 ILE CA C 130 58.672 59.657 -0.985 1 1 1064 . 16 1 1 A 88 88 ILE CB C 130 40.391 38.861 1.530 1 1 1068 . 16 1 1 A 88 88 ILE N N 130 122.487 125.794 -3.307 1 1 1069 . 16 1 1 A 89 89 GLY H H 131 8.960 8.918 0.042 1 1 1070 . 16 1 1 A 89 89 GLY HA2 H 131 4.543 3.464 1.079 1 1 1071 . 16 1 1 A 89 89 GLY HA3 H 131 3.488 3.813 -0.325 1 1 1072 . 16 1 1 A 89 89 GLY C C 131 171.936 171.392 0.544 1 1 1073 . 16 1 1 A 89 89 GLY CA C 131 44.610 45.038 -0.428 1 1 1074 . 16 1 1 A 89 89 GLY N N 131 115.300 115.747 -0.447 1 1 1075 . 16 1 1 A 90 90 LEU H H 132 8.610 8.330 0.280 1 1 1076 . 16 1 1 A 90 90 LEU HA H 132 5.061 4.862 0.199 1 1 1086 . 16 1 1 A 90 90 LEU C C 132 177.246 175.602 1.644 1 1 1087 . 16 1 1 A 90 90 LEU CA C 132 54.453 53.590 0.863 1 1 1088 . 16 1 1 A 90 90 LEU CB C 132 42.735 43.454 -0.719 1 1 1092 . 16 1 1 A 90 90 LEU N N 132 124.560 124.210 0.350 1 1 1093 . 16 1 1 A 91 91 VAL H H 133 8.630 8.481 0.149 1 1 1094 . 16 1 1 A 91 91 VAL HA H 133 4.299 3.888 0.411 1 1 1102 . 16 1 1 A 91 91 VAL C C 133 176.296 177.028 -0.732 1 1 1103 . 16 1 1 A 91 91 VAL CA C 133 61.953 63.467 -1.514 1 1 1104 . 16 1 1 A 91 91 VAL CB C 133 33.360 31.785 1.575 1 1 1107 . 16 1 1 A 91 91 VAL N N 133 123.280 126.988 -3.708 1 1 1108 . 16 1 1 A 92 92 GLY H H 134 8.620 8.936 -0.316 1 1 1109 . 16 1 1 A 92 92 GLY HA2 H 134 4.154 4.159 -0.005 1 1 1110 . 16 1 1 A 92 92 GLY HA3 H 134 4.007 4.167 -0.160 1 1 1111 . 16 1 1 A 92 92 GLY C C 134 174.157 173.587 0.570 1 1 1112 . 16 1 1 A 92 92 GLY CA C 134 45.097 45.123 -0.026 1 1 1113 . 16 1 1 A 92 92 GLY N N 134 112.500 116.804 -4.304 1 1 1114 . 16 1 1 A 93 93 GLU H H 135 8.278 8.566 -0.288 1 1 1115 . 16 1 1 A 93 93 GLU HA H 135 4.387 4.532 -0.145 1 1 1120 . 16 1 1 A 93 93 GLU C C 135 176.500 175.293 1.207 1 1 1121 . 16 1 1 A 93 93 GLU CA C 135 56.797 55.224 1.573 1 1 1122 . 16 1 1 A 93 93 GLU CB C 135 29.141 28.826 0.315 1 1 1124 . 16 1 1 A 93 93 GLU N N 135 119.460 123.866 -4.406 1 1 1125 . 16 1 1 A 94 94 GLU H H 136 8.680 8.278 0.402 1 1 1126 . 16 1 1 A 94 94 GLU HA H 136 4.387 4.719 -0.332 1 1 1131 . 16 1 1 A 94 94 GLU C C 136 176.970 175.241 1.729 1 1 1132 . 16 1 1 A 94 94 GLU CA C 136 56.797 55.034 1.763 1 1 1133 . 16 1 1 A 94 94 GLU CB C 136 29.141 30.128 -0.987 1 1 1135 . 16 1 1 A 94 94 GLU N N 136 121.740 124.509 -2.769 1 1 1136 . 16 1 1 A 95 95 THR H H 137 8.221 8.429 -0.208 1 1 1137 . 16 1 1 A 95 95 THR HA H 137 4.228 4.347 -0.119 1 1 1142 . 16 1 1 A 95 95 THR C C 137 174.880 174.217 0.663 1 1 1143 . 16 1 1 A 95 95 THR CA C 137 62.422 62.837 -0.415 1 1 1144 . 16 1 1 A 95 95 THR CB C 137 69.454 69.489 -0.035 1 1 1146 . 16 1 1 A 95 95 THR N N 137 115.380 119.393 -4.013 1 1 1147 . 16 1 1 A 96 96 ALA H H 138 8.311 8.445 -0.134 1 1 1148 . 16 1 1 A 96 96 ALA HA H 138 4.233 5.345 -1.112 1 1 1152 . 16 1 1 A 96 96 ALA C C 138 178.469 175.720 2.749 1 1 1153 . 16 1 1 A 96 96 ALA CA C 138 53.516 50.407 3.109 1 1 1154 . 16 1 1 A 96 96 ALA CB C 138 18.828 24.198 -5.370 1 1 1155 . 16 1 1 A 96 96 ALA N N 138 125.688 123.664 2.024 1 1 1156 . 16 1 1 A 97 97 LYS H H 139 8.210 8.728 -0.518 1 1 1157 . 16 1 1 A 97 97 LYS HA H 139 4.163 4.476 -0.313 1 1 1166 . 16 1 1 A 97 97 LYS C C 139 177.154 175.361 1.793 1 1 1167 . 16 1 1 A 97 97 LYS CA C 139 57.265 56.107 1.158 1 1 1168 . 16 1 1 A 97 97 LYS CB C 139 32.891 35.504 -2.613 1 1 1172 . 16 1 1 A 97 97 LYS N N 139 120.110 119.243 0.867 1 1 1173 . 16 1 1 A 98 98 ALA H H 140 8.170 8.613 -0.443 1 1 1174 . 16 1 1 A 98 98 ALA HA H 140 4.209 3.983 0.226 1 1 1178 . 16 1 1 A 98 98 ALA C C 140 178.469 176.195 2.274 1 1 1179 . 16 1 1 A 98 98 ALA CA C 140 53.516 54.259 -0.743 1 1 1180 . 16 1 1 A 98 98 ALA CB C 140 18.828 17.968 0.860 1 1 1181 . 16 1 1 A 98 98 ALA N N 140 124.210 129.309 -5.099 1 1 1 . 17 1 1 A 2 2 ASP H H 44 8.930 8.609 0.321 1 1 2 . 17 1 1 A 2 2 ASP HA H 44 4.860 4.997 -0.137 1 1 5 . 17 1 1 A 2 2 ASP C C 44 175.278 174.620 0.658 1 1 6 . 17 1 1 A 2 2 ASP CA C 44 53.516 53.898 -0.382 1 1 7 . 17 1 1 A 2 2 ASP CB C 44 39.397 45.231 -5.834 1 1 8 . 17 1 1 A 2 2 ASP N N 44 122.920 120.333 2.587 1 1 9 . 17 1 1 A 3 3 VAL H H 45 8.329 8.572 -0.243 1 1 10 . 17 1 1 A 3 3 VAL HA H 45 4.120 4.185 -0.065 1 1 18 . 17 1 1 A 3 3 VAL C C 45 175.938 175.201 0.737 1 1 19 . 17 1 1 A 3 3 VAL CA C 45 62.422 62.011 0.411 1 1 20 . 17 1 1 A 3 3 VAL CB C 45 32.300 33.291 -0.991 1 1 23 . 17 1 1 A 3 3 VAL N N 45 121.541 122.677 -1.136 1 1 24 . 17 1 1 A 4 4 LYS H H 46 8.400 8.482 -0.082 1 1 25 . 17 1 1 A 4 4 LYS HA H 46 4.387 4.747 -0.360 1 1 34 . 17 1 1 A 4 4 LYS C C 46 176.333 176.358 -0.025 1 1 35 . 17 1 1 A 4 4 LYS CA C 46 56.270 56.008 0.262 1 1 36 . 17 1 1 A 4 4 LYS CB C 46 32.874 33.327 -0.453 1 1 40 . 17 1 1 A 4 4 LYS N N 46 125.410 121.321 4.089 1 1 42 . 17 1 1 A 5 5 VAL H H 47 8.190 9.015 -0.825 1 1 43 . 17 1 1 A 5 5 VAL HA H 47 4.118 5.109 -0.991 1 1 51 . 17 1 1 A 5 5 VAL C C 47 175.567 174.487 1.080 1 1 52 . 17 1 1 A 5 5 VAL CA C 47 61.954 59.223 2.731 1 1 53 . 17 1 1 A 5 5 VAL CB C 47 32.443 35.411 -2.968 1 1 56 . 17 1 1 A 5 5 VAL N N 47 121.672 118.102 3.570 1 1 57 . 17 1 1 A 6 6 ASN H H 48 8.571 9.195 -0.624 1 1 58 . 17 1 1 A 6 6 ASN HA H 48 4.750 5.590 -0.840 1 1 61 . 17 1 1 A 6 6 ASN C C 48 174.566 173.843 0.723 1 1 62 . 17 1 1 A 6 6 ASN CA C 48 53.047 51.444 1.603 1 1 63 . 17 1 1 A 6 6 ASN CB C 48 38.901 42.827 -3.926 1 1 64 . 17 1 1 A 6 6 ASN N N 48 123.230 118.790 4.440 1 1 65 . 17 1 1 A 7 7 LEU H H 49 8.286 8.941 -0.655 1 1 66 . 17 1 1 A 7 7 LEU HA H 49 4.632 5.016 -0.384 1 1 76 . 17 1 1 A 7 7 LEU C C 49 175.162 173.725 1.437 1 1 77 . 17 1 1 A 7 7 LEU CA C 49 53.047 52.103 0.944 1 1 78 . 17 1 1 A 7 7 LEU CB C 49 41.825 43.358 -1.533 1 1 82 . 17 1 1 A 7 7 LEU N N 49 124.491 122.495 1.996 1 1 83 . 17 1 1 A 8 8 PRO HA H 50 4.443 4.782 -0.339 1 1 90 . 17 1 1 A 8 8 PRO C C 50 176.734 175.911 0.823 1 1 91 . 17 1 1 A 8 8 PRO CA C 50 62.903 62.806 0.097 1 1 92 . 17 1 1 A 8 8 PRO CB C 50 31.839 33.450 -1.611 1 1 95 . 17 1 1 A 9 9 ALA H H 51 8.424 8.401 0.023 1 1 96 . 17 1 1 A 9 9 ALA HA H 51 4.330 4.864 -0.534 1 1 100 . 17 1 1 A 9 9 ALA C C 51 178.124 175.501 2.623 1 1 101 . 17 1 1 A 9 9 ALA CA C 51 52.578 52.135 0.443 1 1 102 . 17 1 1 A 9 9 ALA CB C 51 19.297 20.624 -1.327 1 1 103 . 17 1 1 A 9 9 ALA N N 51 124.364 121.217 3.147 1 1 104 . 17 1 1 A 10 10 SER H H 52 8.380 8.625 -0.245 1 1 105 . 17 1 1 A 10 10 SER HA H 52 4.223 5.110 -0.887 1 1 108 . 17 1 1 A 10 10 SER C C 52 174.982 172.068 2.914 1 1 109 . 17 1 1 A 10 10 SER CA C 52 58.672 57.466 1.206 1 1 110 . 17 1 1 A 10 10 SER CB C 52 63.829 65.293 -1.464 1 1 111 . 17 1 1 A 10 10 SER N N 52 114.800 118.162 -3.362 1 1 112 . 17 1 1 A 11 11 THR H H 53 8.227 8.708 -0.481 1 1 113 . 17 1 1 A 11 11 THR HA H 53 4.478 4.814 -0.336 1 1 118 . 17 1 1 A 11 11 THR C C 53 174.612 171.953 2.659 1 1 119 . 17 1 1 A 11 11 THR CA C 53 61.922 60.788 1.134 1 1 120 . 17 1 1 A 11 11 THR CB C 53 69.922 70.448 -0.526 1 1 122 . 17 1 1 A 11 11 THR N N 53 115.236 119.578 -4.342 1 1 123 . 17 1 1 A 12 12 SER H H 54 8.330 8.571 -0.241 1 1 124 . 17 1 1 A 12 12 SER HA H 54 4.559 5.063 -0.504 1 1 127 . 17 1 1 A 12 12 SER C C 54 174.299 172.696 1.603 1 1 128 . 17 1 1 A 12 12 SER CA C 54 58.204 57.355 0.849 1 1 129 . 17 1 1 A 12 12 SER CB C 54 63.891 64.555 -0.664 1 1 130 . 17 1 1 A 12 12 SER N N 54 117.770 121.503 -3.733 1 1 131 . 17 1 1 A 13 13 THR H H 55 8.274 8.832 -0.558 1 1 132 . 17 1 1 A 13 13 THR HA H 55 4.624 4.754 -0.130 1 1 137 . 17 1 1 A 13 13 THR C C 55 170.400 171.828 -1.428 1 1 138 . 17 1 1 A 13 13 THR CA C 55 60.079 58.808 1.271 1 1 139 . 17 1 1 A 13 13 THR CB C 55 69.922 70.921 -0.999 1 1 141 . 17 1 1 A 13 13 THR N N 55 118.865 119.511 -0.646 1 1 142 . 17 1 1 A 14 14 PRO HA H 56 4.458 4.675 -0.217 1 1 149 . 17 1 1 A 14 14 PRO C C 56 176.748 175.538 1.210 1 1 150 . 17 1 1 A 14 14 PRO CA C 56 63.076 62.392 0.684 1 1 151 . 17 1 1 A 14 14 PRO CB C 56 32.043 33.512 -1.469 1 1 154 . 17 1 1 A 15 15 GLN H H 57 8.547 8.687 -0.140 1 1 155 . 17 1 1 A 15 15 GLN HA H 57 4.620 4.623 -0.003 1 1 160 . 17 1 1 A 15 15 GLN CA C 57 53.600 53.472 0.128 1 1 161 . 17 1 1 A 15 15 GLN CB C 57 29.141 28.975 0.166 1 1 163 . 17 1 1 A 15 15 GLN N N 57 122.041 121.095 0.946 1 1 165 . 17 1 1 A 16 16 PRO HA H 58 4.458 4.622 -0.164 1 1 172 . 17 1 1 A 16 16 PRO C C 58 176.620 175.986 0.634 1 1 173 . 17 1 1 A 16 16 PRO CA C 58 62.872 62.727 0.145 1 1 174 . 17 1 1 A 16 16 PRO CB C 58 32.111 32.672 -0.561 1 1 177 . 17 1 1 A 17 17 ARG H H 59 8.511 8.510 0.001 1 1 178 . 17 1 1 A 17 17 ARG HA H 59 4.643 4.904 -0.261 1 1 185 . 17 1 1 A 17 17 ARG CA C 59 53.985 53.651 0.334 1 1 186 . 17 1 1 A 17 17 ARG CB C 59 30.195 31.102 -0.907 1 1 189 . 17 1 1 A 17 17 ARG N N 59 122.731 121.542 1.189 1 1 190 . 17 1 1 A 18 18 PRO HA H 60 4.458 4.682 -0.224 1 1 197 . 17 1 1 A 18 18 PRO C C 60 176.892 175.829 1.063 1 1 198 . 17 1 1 A 18 18 PRO CA C 60 62.940 62.632 0.308 1 1 199 . 17 1 1 A 18 18 PRO CB C 60 32.891 33.278 -0.387 1 1 202 . 17 1 1 A 19 19 GLU H H 61 8.480 8.634 -0.154 1 1 203 . 17 1 1 A 19 19 GLU HA H 61 4.391 4.787 -0.396 1 1 208 . 17 1 1 A 19 19 GLU C C 61 176.174 175.397 0.777 1 1 209 . 17 1 1 A 19 19 GLU CA C 61 54.922 55.655 -0.733 1 1 210 . 17 1 1 A 19 19 GLU CB C 61 29.141 30.256 -1.115 1 1 212 . 17 1 1 A 19 19 GLU N N 61 120.840 120.167 0.673 1 1 213 . 17 1 1 A 20 20 LYS H H 62 8.502 7.906 0.596 1 1 214 . 17 1 1 A 20 20 LYS HA H 62 4.620 4.562 0.058 1 1 223 . 17 1 1 A 20 20 LYS C C 62 171.420 174.392 -2.972 1 1 224 . 17 1 1 A 20 20 LYS CA C 62 54.827 54.005 0.822 1 1 225 . 17 1 1 A 20 20 LYS CB C 62 32.422 31.110 1.312 1 1 229 . 17 1 1 A 20 20 LYS N N 62 125.117 122.296 2.821 1 1 230 . 17 1 1 A 21 21 PRO HA H 63 4.448 4.523 -0.075 1 1 237 . 17 1 1 A 21 21 PRO CA C 63 62.261 62.571 -0.310 1 1 238 . 17 1 1 A 21 21 PRO CB C 63 32.422 32.495 -0.073 1 1 241 . 17 1 1 A 22 22 VAL H H 64 8.570 8.454 0.116 1 1 242 . 17 1 1 A 22 22 VAL HA H 64 4.097 4.326 -0.229 1 1 250 . 17 1 1 A 22 22 VAL C C 64 173.862 174.648 -0.786 1 1 251 . 17 1 1 A 22 22 VAL CA C 64 61.000 61.970 -0.970 1 1 252 . 17 1 1 A 22 22 VAL CB C 64 33.770 31.605 2.165 1 1 255 . 17 1 1 A 22 22 VAL N N 64 120.453 123.128 -2.675 1 1 256 . 17 1 1 A 23 23 TYR H H 65 8.600 9.098 -0.498 1 1 257 . 17 1 1 A 23 23 TYR HA H 65 5.207 5.379 -0.172 1 1 264 . 17 1 1 A 23 23 TYR C C 65 174.916 173.869 1.047 1 1 265 . 17 1 1 A 23 23 TYR CA C 65 57.210 56.123 1.087 1 1 266 . 17 1 1 A 23 23 TYR CB C 65 39.454 42.198 -2.744 1 1 267 . 17 1 1 A 23 23 TYR N N 65 124.580 128.082 -3.502 1 1 268 . 17 1 1 A 24 24 LEU H H 66 9.186 9.306 -0.120 1 1 269 . 17 1 1 A 24 24 LEU HA H 66 5.261 5.337 -0.076 1 1 279 . 17 1 1 A 24 24 LEU C C 66 175.491 176.320 -0.829 1 1 280 . 17 1 1 A 24 24 LEU CA C 66 53.516 53.942 -0.426 1 1 281 . 17 1 1 A 24 24 LEU CB C 66 45.078 44.261 0.817 1 1 285 . 17 1 1 A 24 24 LEU N N 66 128.669 127.405 1.264 1 1 286 . 17 1 1 A 25 25 SER H H 67 9.300 9.138 0.162 1 1 287 . 17 1 1 A 25 25 SER HA H 67 5.637 5.377 0.260 1 1 290 . 17 1 1 A 25 25 SER C C 67 173.470 173.795 -0.325 1 1 291 . 17 1 1 A 25 25 SER CA C 67 56.784 57.797 -1.013 1 1 292 . 17 1 1 A 25 25 SER CB C 67 65.267 64.962 0.305 1 1 293 . 17 1 1 A 25 25 SER N N 67 120.290 122.297 -2.007 1 1 294 . 17 1 1 A 26 26 VAL H H 68 8.600 8.509 0.091 1 1 295 . 17 1 1 A 26 26 VAL HA H 68 4.847 5.373 -0.526 1 1 303 . 17 1 1 A 26 26 VAL C C 68 175.205 174.161 1.044 1 1 304 . 17 1 1 A 26 26 VAL CA C 68 60.950 59.529 1.421 1 1 305 . 17 1 1 A 26 26 VAL CB C 68 33.770 34.769 -0.999 1 1 308 . 17 1 1 A 26 26 VAL N N 68 123.723 125.400 -1.677 1 1 309 . 17 1 1 A 27 27 LYS H H 69 8.760 8.852 -0.092 1 1 310 . 17 1 1 A 27 27 LYS HA H 69 4.630 4.893 -0.263 1 1 319 . 17 1 1 A 27 27 LYS C C 69 176.007 176.129 -0.122 1 1 320 . 17 1 1 A 27 27 LYS CA C 69 62.400 54.547 7.853 1 1 321 . 17 1 1 A 27 27 LYS CB C 69 33.820 35.696 -1.876 1 1 325 . 17 1 1 A 27 27 LYS N N 69 126.000 120.534 5.466 1 1 326 . 17 1 1 A 28 28 ALA H H 70 8.728 8.699 0.029 1 1 327 . 17 1 1 A 28 28 ALA HA H 70 4.018 3.916 0.102 1 1 331 . 17 1 1 A 28 28 ALA C C 70 177.852 178.357 -0.505 1 1 332 . 17 1 1 A 28 28 ALA CA C 70 53.985 54.264 -0.279 1 1 333 . 17 1 1 A 28 28 ALA CB C 70 19.297 17.864 1.433 1 1 334 . 17 1 1 A 28 28 ALA N N 70 124.480 122.194 2.286 1 1 335 . 17 1 1 A 29 29 ASP H H 71 8.256 8.817 -0.561 1 1 336 . 17 1 1 A 29 29 ASP HA H 71 4.497 4.424 0.073 1 1 339 . 17 1 1 A 29 29 ASP C C 71 176.455 176.364 0.091 1 1 340 . 17 1 1 A 29 29 ASP CA C 71 53.985 57.286 -3.301 1 1 341 . 17 1 1 A 29 29 ASP CB C 71 39.315 40.949 -1.634 1 1 342 . 17 1 1 A 29 29 ASP N N 71 118.722 118.435 0.287 1 1 343 . 17 1 1 A 30 30 ASN H H 72 8.380 7.667 0.713 1 1 344 . 17 1 1 A 30 30 ASN HA H 72 4.374 5.112 -0.738 1 1 349 . 17 1 1 A 30 30 ASN C C 72 174.641 173.406 1.235 1 1 350 . 17 1 1 A 30 30 ASN CA C 72 54.453 52.801 1.652 1 1 351 . 17 1 1 A 30 30 ASN CB C 72 37.579 39.837 -2.258 1 1 352 . 17 1 1 A 30 30 ASN N N 72 113.000 111.946 1.054 1 1 353 . 17 1 1 A 31 31 SER H H 73 7.710 8.676 -0.966 1 1 354 . 17 1 1 A 31 31 SER HA H 73 4.404 5.171 -0.767 1 1 357 . 17 1 1 A 31 31 SER C C 73 172.527 173.069 -0.542 1 1 358 . 17 1 1 A 31 31 SER CA C 73 58.672 57.103 1.569 1 1 359 . 17 1 1 A 31 31 SER CB C 73 63.303 66.243 -2.940 1 1 360 . 17 1 1 A 31 31 SER N N 73 115.080 118.137 -3.057 1 1 361 . 17 1 1 A 32 32 MET H H 74 8.065 8.681 -0.616 1 1 362 . 17 1 1 A 32 32 MET HA H 74 5.573 5.257 0.316 1 1 370 . 17 1 1 A 32 32 MET C C 74 174.974 175.711 -0.737 1 1 371 . 17 1 1 A 32 32 MET CA C 74 54.397 53.955 0.442 1 1 372 . 17 1 1 A 32 32 MET CB C 74 37.579 34.097 3.482 1 1 375 . 17 1 1 A 32 32 MET N N 74 121.780 124.693 -2.913 1 1 376 . 17 1 1 A 33 33 PHE H H 75 8.900 9.259 -0.359 1 1 377 . 17 1 1 A 33 33 PHE HA H 75 5.190 4.920 0.270 1 1 384 . 17 1 1 A 33 33 PHE C C 75 175.228 174.370 0.858 1 1 385 . 17 1 1 A 33 33 PHE CA C 75 56.797 57.887 -1.090 1 1 386 . 17 1 1 A 33 33 PHE CB C 75 44.141 40.658 3.483 1 1 387 . 17 1 1 A 33 33 PHE N N 75 118.800 123.307 -4.507 1 1 388 . 17 1 1 A 34 34 ILE H H 76 8.830 8.438 0.392 1 1 389 . 17 1 1 A 34 34 ILE HA H 76 4.851 4.497 0.354 1 1 399 . 17 1 1 A 34 34 ILE C C 76 177.606 176.704 0.902 1 1 400 . 17 1 1 A 34 34 ILE CA C 76 59.610 60.979 -1.369 1 1 401 . 17 1 1 A 34 34 ILE CB C 76 37.990 38.157 -0.167 1 1 405 . 17 1 1 A 34 34 ILE N N 76 121.330 128.379 -7.049 1 1 406 . 17 1 1 A 35 35 GLY H H 77 9.177 8.727 0.450 1 1 407 . 17 1 1 A 35 35 GLY HA2 H 77 4.139 3.849 0.290 1 1 408 . 17 1 1 A 35 35 GLY HA3 H 77 3.742 3.851 -0.109 1 1 409 . 17 1 1 A 35 35 GLY C C 77 174.757 175.120 -0.363 1 1 410 . 17 1 1 A 35 35 GLY CA C 77 47.422 46.782 0.640 1 1 411 . 17 1 1 A 35 35 GLY N N 77 118.894 111.818 7.076 1 1 412 . 17 1 1 A 36 36 ASN H H 78 9.170 8.978 0.192 1 1 413 . 17 1 1 A 36 36 ASN HA H 78 4.846 4.408 0.438 1 1 416 . 17 1 1 A 36 36 ASN C C 78 174.867 174.014 0.853 1 1 417 . 17 1 1 A 36 36 ASN CA C 78 52.578 54.637 -2.059 1 1 418 . 17 1 1 A 36 36 ASN CB C 78 38.985 37.911 1.074 1 1 419 . 17 1 1 A 36 36 ASN N N 78 125.494 122.675 2.819 1 1 420 . 17 1 1 A 37 37 ASP H H 79 8.590 8.389 0.201 1 1 421 . 17 1 1 A 37 37 ASP HA H 79 5.330 5.120 0.210 1 1 424 . 17 1 1 A 37 37 ASP C C 79 173.009 172.876 0.133 1 1 425 . 17 1 1 A 37 37 ASP CA C 79 51.172 51.595 -0.423 1 1 426 . 17 1 1 A 37 37 ASP CB C 79 39.922 41.648 -1.726 1 1 427 . 17 1 1 A 37 37 ASP N N 79 121.409 118.382 3.027 1 1 428 . 17 1 1 A 38 38 PRO HA H 80 4.320 4.480 -0.160 1 1 435 . 17 1 1 A 38 38 PRO C C 80 176.862 176.198 0.664 1 1 436 . 17 1 1 A 38 38 PRO CA C 80 62.422 62.402 0.020 1 1 437 . 17 1 1 A 38 38 PRO CB C 80 32.890 31.822 1.068 1 1 440 . 17 1 1 A 39 39 VAL H H 81 8.001 7.986 0.015 1 1 441 . 17 1 1 A 39 39 VAL HA H 81 4.522 4.872 -0.350 1 1 449 . 17 1 1 A 39 39 VAL C C 81 173.912 173.434 0.478 1 1 450 . 17 1 1 A 39 39 VAL CA C 81 59.141 59.373 -0.232 1 1 451 . 17 1 1 A 39 39 VAL CB C 81 36.172 36.469 -0.297 1 1 454 . 17 1 1 A 39 39 VAL N N 81 115.450 116.359 -0.909 1 1 455 . 17 1 1 A 40 40 THR H H 82 7.672 8.432 -0.760 1 1 456 . 17 1 1 A 40 40 THR HA H 82 4.746 4.865 -0.119 1 1 461 . 17 1 1 A 40 40 THR C C 82 175.692 175.611 0.081 1 1 462 . 17 1 1 A 40 40 THR CA C 82 59.121 59.192 -0.071 1 1 463 . 17 1 1 A 40 40 THR CB C 82 72.735 71.677 1.058 1 1 465 . 17 1 1 A 40 40 THR N N 82 110.320 112.778 -2.458 1 1 466 . 17 1 1 A 41 41 ASP H H 83 9.370 9.012 0.358 1 1 467 . 17 1 1 A 41 41 ASP HA H 83 4.314 4.519 -0.205 1 1 470 . 17 1 1 A 41 41 ASP C C 83 176.943 177.257 -0.314 1 1 471 . 17 1 1 A 41 41 ASP CA C 83 56.797 55.841 0.956 1 1 472 . 17 1 1 A 41 41 ASP CB C 83 38.047 39.920 -1.873 1 1 473 . 17 1 1 A 41 41 ASP N N 83 118.710 121.357 -2.647 1 1 474 . 17 1 1 A 42 42 GLU H H 84 8.228 8.119 0.109 1 1 475 . 17 1 1 A 42 42 GLU HA H 84 4.336 4.366 -0.030 1 1 480 . 17 1 1 A 42 42 GLU C C 84 177.827 177.067 0.760 1 1 481 . 17 1 1 A 42 42 GLU CA C 84 58.204 58.273 -0.069 1 1 482 . 17 1 1 A 42 42 GLU CB C 84 29.141 30.274 -1.133 1 1 484 . 17 1 1 A 42 42 GLU N N 84 115.213 118.319 -3.106 1 1 485 . 17 1 1 A 43 43 THR H H 85 7.510 7.851 -0.341 1 1 486 . 17 1 1 A 43 43 THR HA H 85 4.664 4.790 -0.126 1 1 491 . 17 1 1 A 43 43 THR C C 85 175.799 175.415 0.384 1 1 492 . 17 1 1 A 43 43 THR CA C 85 61.395 60.865 0.530 1 1 493 . 17 1 1 A 43 43 THR CB C 85 70.391 69.398 0.993 1 1 495 . 17 1 1 A 43 43 THR N N 85 108.315 113.992 -5.677 1 1 496 . 17 1 1 A 44 44 MET H H 86 7.900 7.939 -0.039 1 1 497 . 17 1 1 A 44 44 MET HA H 86 3.820 4.269 -0.449 1 1 505 . 17 1 1 A 44 44 MET C C 86 176.605 178.486 -1.881 1 1 506 . 17 1 1 A 44 44 MET CA C 86 60.547 58.122 2.425 1 1 507 . 17 1 1 A 44 44 MET CB C 86 32.422 32.174 0.248 1 1 510 . 17 1 1 A 44 44 MET N N 86 121.500 120.228 1.272 1 1 511 . 17 1 1 A 45 45 ILE H H 87 8.430 7.816 0.614 1 1 512 . 17 1 1 A 45 45 ILE HA H 87 3.686 3.834 -0.148 1 1 522 . 17 1 1 A 45 45 ILE C C 87 177.773 178.070 -0.297 1 1 523 . 17 1 1 A 45 45 ILE CA C 87 62.934 64.507 -1.573 1 1 524 . 17 1 1 A 45 45 ILE CB C 87 34.766 38.014 -3.248 1 1 528 . 17 1 1 A 45 45 ILE N N 87 117.970 120.269 -2.299 1 1 529 . 17 1 1 A 46 46 THR H H 88 8.070 8.226 -0.156 1 1 530 . 17 1 1 A 46 46 THR HA H 88 3.953 4.069 -0.116 1 1 535 . 17 1 1 A 46 46 THR C C 88 177.011 177.142 -0.131 1 1 536 . 17 1 1 A 46 46 THR CA C 88 66.640 65.324 1.316 1 1 537 . 17 1 1 A 46 46 THR CB C 88 68.000 68.131 -0.131 1 1 539 . 17 1 1 A 46 46 THR N N 88 116.920 112.509 4.411 1 1 540 . 17 1 1 A 47 47 ALA H H 89 7.710 8.153 -0.443 1 1 541 . 17 1 1 A 47 47 ALA HA H 89 4.240 4.167 0.073 1 1 545 . 17 1 1 A 47 47 ALA C C 89 174.356 180.120 -5.764 1 1 546 . 17 1 1 A 47 47 ALA CA C 89 55.094 55.145 -0.051 1 1 547 . 17 1 1 A 47 47 ALA CB C 89 18.828 18.166 0.662 1 1 548 . 17 1 1 A 47 47 ALA N N 89 123.490 124.574 -1.084 1 1 549 . 17 1 1 A 48 48 LEU H H 90 8.570 7.951 0.619 1 1 550 . 17 1 1 A 48 48 LEU HA H 90 3.445 3.994 -0.549 1 1 560 . 17 1 1 A 48 48 LEU C C 90 178.088 179.054 -0.966 1 1 561 . 17 1 1 A 48 48 LEU CA C 90 67.110 58.186 8.924 1 1 562 . 17 1 1 A 48 48 LEU CB C 90 31.420 41.868 -10.448 1 1 566 . 17 1 1 A 48 48 LEU N N 90 119.800 119.468 0.332 1 1 567 . 17 1 1 A 49 49 ASN H H 91 8.979 7.930 1.049 1 1 568 . 17 1 1 A 49 49 ASN HA H 91 4.494 4.824 -0.330 1 1 571 . 17 1 1 A 49 49 ASN C C 91 178.227 177.710 0.517 1 1 572 . 17 1 1 A 49 49 ASN CA C 91 54.397 55.986 -1.589 1 1 573 . 17 1 1 A 49 49 ASN CB C 91 37.578 38.093 -0.515 1 1 574 . 17 1 1 A 49 49 ASN N N 91 117.500 117.634 -0.134 1 1 575 . 17 1 1 A 50 50 ALA H H 92 7.710 7.585 0.125 1 1 576 . 17 1 1 A 50 50 ALA HA H 92 4.232 4.140 0.092 1 1 580 . 17 1 1 A 50 50 ALA C C 92 180.155 179.095 1.060 1 1 581 . 17 1 1 A 50 50 ALA CA C 92 54.886 54.843 0.043 1 1 582 . 17 1 1 A 50 50 ALA CB C 92 17.962 18.367 -0.405 1 1 583 . 17 1 1 A 50 50 ALA N N 92 120.900 122.748 -1.848 1 1 584 . 17 1 1 A 51 51 LEU H H 93 7.670 7.367 0.303 1 1 585 . 17 1 1 A 51 51 LEU HA H 93 4.340 4.265 0.075 1 1 595 . 17 1 1 A 51 51 LEU C C 93 179.407 179.169 0.238 1 1 596 . 17 1 1 A 51 51 LEU CA C 93 56.829 56.983 -0.154 1 1 597 . 17 1 1 A 51 51 LEU CB C 93 42.734 42.810 -0.076 1 1 601 . 17 1 1 A 51 51 LEU N N 93 117.980 118.234 -0.254 1 1 602 . 17 1 1 A 52 52 THR H H 94 8.530 8.393 0.137 1 1 603 . 17 1 1 A 52 52 THR HA H 94 4.437 4.222 0.215 1 1 608 . 17 1 1 A 52 52 THR C C 94 177.112 174.996 2.116 1 1 609 . 17 1 1 A 52 52 THR CA C 94 61.485 63.638 -2.153 1 1 610 . 17 1 1 A 52 52 THR CB C 94 70.860 70.157 0.703 1 1 612 . 17 1 1 A 52 52 THR N N 94 107.010 109.080 -2.070 1 1 613 . 17 1 1 A 53 53 GLU H H 95 8.001 8.244 -0.243 1 1 614 . 17 1 1 A 53 53 GLU HA H 95 4.062 4.002 0.060 1 1 619 . 17 1 1 A 53 53 GLU C C 95 176.199 175.844 0.355 1 1 620 . 17 1 1 A 53 53 GLU CA C 95 56.797 57.407 -0.610 1 1 621 . 17 1 1 A 53 53 GLU CB C 95 26.346 28.645 -2.299 1 1 623 . 17 1 1 A 53 53 GLU N N 95 117.560 121.152 -3.592 1 1 624 . 17 1 1 A 54 54 GLY H H 96 8.349 8.273 0.076 1 1 625 . 17 1 1 A 54 54 GLY HA2 H 96 4.120 3.894 0.226 1 1 626 . 17 1 1 A 54 54 GLY HA3 H 96 3.520 3.899 -0.379 1 1 627 . 17 1 1 A 54 54 GLY C C 96 174.264 174.070 0.194 1 1 628 . 17 1 1 A 54 54 GLY CA C 96 44.600 46.794 -2.194 1 1 629 . 17 1 1 A 54 54 GLY N N 96 105.347 105.277 0.070 1 1 630 . 17 1 1 A 55 55 LYS H H 97 7.400 7.558 -0.158 1 1 631 . 17 1 1 A 55 55 LYS HA H 97 4.386 4.494 -0.108 1 1 640 . 17 1 1 A 55 55 LYS C C 97 177.395 175.713 1.682 1 1 641 . 17 1 1 A 55 55 LYS CA C 97 56.797 55.227 1.570 1 1 642 . 17 1 1 A 55 55 LYS CB C 97 30.522 33.085 -2.563 1 1 646 . 17 1 1 A 55 55 LYS N N 97 120.080 120.135 -0.055 1 1 647 . 17 1 1 A 56 56 LYS H H 98 8.510 8.562 -0.052 1 1 648 . 17 1 1 A 56 56 LYS HA H 98 3.940 4.559 -0.619 1 1 657 . 17 1 1 A 56 56 LYS C C 98 176.420 178.314 -1.894 1 1 658 . 17 1 1 A 56 56 LYS CA C 98 56.741 57.212 -0.471 1 1 659 . 17 1 1 A 56 56 LYS CB C 98 30.079 33.123 -3.044 1 1 663 . 17 1 1 A 56 56 LYS N N 98 126.202 125.109 1.093 1 1 664 . 17 1 1 A 57 57 ASP H H 99 8.510 8.343 0.167 1 1 665 . 17 1 1 A 57 57 ASP HA H 99 4.570 4.483 0.087 1 1 668 . 17 1 1 A 57 57 ASP C C 99 174.777 176.859 -2.082 1 1 669 . 17 1 1 A 57 57 ASP CA C 99 52.991 56.764 -3.773 1 1 670 . 17 1 1 A 57 57 ASP CB C 99 38.516 39.981 -1.465 1 1 671 . 17 1 1 A 57 57 ASP N N 99 116.900 117.965 -1.065 1 1 672 . 17 1 1 A 58 58 THR H H 100 7.400 7.668 -0.268 1 1 673 . 17 1 1 A 58 58 THR HA H 100 3.971 4.209 -0.238 1 1 678 . 17 1 1 A 58 58 THR C C 100 172.742 174.430 -1.688 1 1 679 . 17 1 1 A 58 58 THR CA C 100 63.360 64.219 -0.859 1 1 680 . 17 1 1 A 58 58 THR CB C 100 70.391 69.340 1.051 1 1 682 . 17 1 1 A 58 58 THR N N 100 117.350 116.300 1.050 1 1 683 . 17 1 1 A 59 59 THR H H 101 8.414 8.717 -0.303 1 1 684 . 17 1 1 A 59 59 THR HA H 101 4.174 4.470 -0.296 1 1 689 . 17 1 1 A 59 59 THR C C 101 172.505 174.097 -1.592 1 1 690 . 17 1 1 A 59 59 THR CA C 101 63.829 64.229 -0.400 1 1 691 . 17 1 1 A 59 59 THR CB C 101 69.454 69.004 0.450 1 1 693 . 17 1 1 A 59 59 THR N N 101 123.260 122.619 0.641 1 1 694 . 17 1 1 A 60 60 ILE H H 102 8.190 8.713 -0.523 1 1 695 . 17 1 1 A 60 60 ILE HA H 102 4.399 4.884 -0.485 1 1 705 . 17 1 1 A 60 60 ILE C C 102 175.119 175.029 0.090 1 1 706 . 17 1 1 A 60 60 ILE CA C 102 58.204 60.235 -2.031 1 1 707 . 17 1 1 A 60 60 ILE CB C 102 38.047 39.370 -1.323 1 1 711 . 17 1 1 A 60 60 ILE N N 102 126.467 128.204 -1.737 1 1 712 . 17 1 1 A 61 61 PHE H H 103 8.900 8.859 0.041 1 1 713 . 17 1 1 A 61 61 PHE HA H 103 5.204 5.095 0.109 1 1 720 . 17 1 1 A 61 61 PHE C C 103 174.877 174.906 -0.029 1 1 721 . 17 1 1 A 61 61 PHE CA C 103 57.266 56.673 0.593 1 1 722 . 17 1 1 A 61 61 PHE CB C 103 40.860 39.263 1.597 1 1 723 . 17 1 1 A 61 61 PHE N N 103 125.650 126.758 -1.108 1 1 724 . 17 1 1 A 62 62 PHE H H 104 9.110 8.880 0.230 1 1 725 . 17 1 1 A 62 62 PHE HA H 104 5.590 4.943 0.647 1 1 732 . 17 1 1 A 62 62 PHE C C 104 174.407 173.831 0.576 1 1 733 . 17 1 1 A 62 62 PHE CA C 104 54.922 56.787 -1.865 1 1 734 . 17 1 1 A 62 62 PHE CB C 104 41.300 39.795 1.505 1 1 735 . 17 1 1 A 62 62 PHE N N 104 123.447 124.832 -1.385 1 1 736 . 17 1 1 A 63 63 ARG H H 105 9.020 8.713 0.307 1 1 737 . 17 1 1 A 63 63 ARG HA H 105 4.830 5.052 -0.222 1 1 744 . 17 1 1 A 63 63 ARG C C 105 173.862 174.885 -1.023 1 1 745 . 17 1 1 A 63 63 ARG CA C 105 54.453 54.521 -0.068 1 1 746 . 17 1 1 A 63 63 ARG CB C 105 32.422 33.511 -1.089 1 1 749 . 17 1 1 A 63 63 ARG N N 105 126.020 128.748 -2.728 1 1 750 . 17 1 1 A 64 64 ALA H H 106 8.640 8.436 0.204 1 1 751 . 17 1 1 A 64 64 ALA HA H 106 5.223 4.924 0.299 1 1 755 . 17 1 1 A 64 64 ALA C C 106 176.565 175.429 1.136 1 1 756 . 17 1 1 A 64 64 ALA CA C 106 50.235 50.079 0.156 1 1 757 . 17 1 1 A 64 64 ALA CB C 106 22.110 23.072 -0.962 1 1 758 . 17 1 1 A 64 64 ALA N N 106 126.540 127.820 -1.280 1 1 759 . 17 1 1 A 65 65 ASP H H 107 7.900 8.496 -0.596 1 1 760 . 17 1 1 A 65 65 ASP HA H 107 4.685 4.467 0.218 1 1 763 . 17 1 1 A 65 65 ASP C C 107 176.987 177.808 -0.821 1 1 764 . 17 1 1 A 65 65 ASP CA C 107 54.453 54.191 0.262 1 1 765 . 17 1 1 A 65 65 ASP CB C 107 42.209 42.523 -0.314 1 1 766 . 17 1 1 A 65 65 ASP N N 107 121.600 120.946 0.654 1 1 767 . 17 1 1 A 66 66 LYS H H 108 8.700 8.756 -0.056 1 1 768 . 17 1 1 A 66 66 LYS HA H 108 4.221 4.117 0.104 1 1 777 . 17 1 1 A 66 66 LYS C C 108 177.007 176.665 0.342 1 1 778 . 17 1 1 A 66 66 LYS CA C 108 58.682 58.164 0.518 1 1 779 . 17 1 1 A 66 66 LYS CB C 108 32.422 31.867 0.555 1 1 783 . 17 1 1 A 66 66 LYS N N 108 120.740 122.144 -1.404 1 1 784 . 17 1 1 A 67 67 THR H H 109 8.035 7.820 0.215 1 1 785 . 17 1 1 A 67 67 THR HA H 109 4.270 4.560 -0.290 1 1 790 . 17 1 1 A 67 67 THR C C 109 175.031 174.435 0.596 1 1 791 . 17 1 1 A 67 67 THR CA C 109 62.422 61.138 1.284 1 1 792 . 17 1 1 A 67 67 THR CB C 109 68.985 69.289 -0.304 1 1 794 . 17 1 1 A 67 67 THR N N 109 108.086 114.307 -6.221 1 1 795 . 17 1 1 A 68 68 VAL H H 110 7.470 7.489 -0.019 1 1 796 . 17 1 1 A 68 68 VAL HA H 110 3.960 4.047 -0.087 1 1 804 . 17 1 1 A 68 68 VAL C C 110 175.691 175.442 0.249 1 1 805 . 17 1 1 A 68 68 VAL CA C 110 63.360 62.250 1.110 1 1 806 . 17 1 1 A 68 68 VAL CB C 110 32.422 32.526 -0.104 1 1 809 . 17 1 1 A 68 68 VAL N N 110 123.270 122.338 0.932 1 1 810 . 17 1 1 A 69 69 ASP H H 111 8.710 8.703 0.007 1 1 811 . 17 1 1 A 69 69 ASP HA H 111 4.645 4.994 -0.349 1 1 814 . 17 1 1 A 69 69 ASP C C 111 176.150 177.494 -1.344 1 1 815 . 17 1 1 A 69 69 ASP CA C 111 53.989 53.282 0.707 1 1 816 . 17 1 1 A 69 69 ASP CB C 111 41.328 42.096 -0.768 1 1 817 . 17 1 1 A 69 69 ASP N N 111 126.170 126.434 -0.264 1 1 818 . 17 1 1 A 70 70 TYR H H 112 8.840 9.037 -0.197 1 1 819 . 17 1 1 A 70 70 TYR HA H 112 4.056 4.177 -0.121 1 1 826 . 17 1 1 A 70 70 TYR C C 112 177.075 177.728 -0.653 1 1 827 . 17 1 1 A 70 70 TYR CA C 112 61.890 61.715 0.175 1 1 828 . 17 1 1 A 70 70 TYR CB C 112 38.980 38.791 0.189 1 1 829 . 17 1 1 A 70 70 TYR N N 112 123.360 124.181 -0.821 1 1 830 . 17 1 1 A 71 71 GLU H H 113 8.550 8.254 0.296 1 1 831 . 17 1 1 A 71 71 GLU HA H 113 3.904 3.892 0.012 1 1 836 . 17 1 1 A 71 71 GLU C C 113 179.338 178.734 0.604 1 1 837 . 17 1 1 A 71 71 GLU CA C 113 59.610 58.792 0.818 1 1 838 . 17 1 1 A 71 71 GLU CB C 113 27.765 28.820 -1.055 1 1 840 . 17 1 1 A 71 71 GLU N N 113 116.730 118.810 -2.080 1 1 841 . 17 1 1 A 72 72 THR H H 114 7.780 7.872 -0.092 1 1 842 . 17 1 1 A 72 72 THR HA H 114 4.320 3.996 0.324 1 1 847 . 17 1 1 A 72 72 THR C C 114 175.987 176.622 -0.635 1 1 848 . 17 1 1 A 72 72 THR CA C 114 67.579 66.901 0.678 1 1 849 . 17 1 1 A 72 72 THR CB C 114 66.640 69.036 -2.396 1 1 851 . 17 1 1 A 72 72 THR N N 114 117.340 117.334 0.006 1 1 852 . 17 1 1 A 73 73 LEU H H 115 7.570 7.713 -0.143 1 1 853 . 17 1 1 A 73 73 LEU HA H 115 3.838 4.057 -0.219 1 1 863 . 17 1 1 A 73 73 LEU C C 115 178.670 178.410 0.260 1 1 864 . 17 1 1 A 73 73 LEU CA C 115 58.203 57.896 0.307 1 1 865 . 17 1 1 A 73 73 LEU CB C 115 40.860 41.293 -0.433 1 1 868 . 17 1 1 A 73 73 LEU N N 115 120.510 118.420 2.090 1 1 869 . 17 1 1 A 74 74 MET H H 116 8.280 7.601 0.679 1 1 870 . 17 1 1 A 74 74 MET HA H 116 4.100 4.120 -0.020 1 1 878 . 17 1 1 A 74 74 MET C C 116 178.503 178.182 0.321 1 1 879 . 17 1 1 A 74 74 MET CA C 116 57.210 57.882 -0.672 1 1 880 . 17 1 1 A 74 74 MET CB C 116 32.400 32.083 0.317 1 1 883 . 17 1 1 A 74 74 MET N N 116 116.240 118.978 -2.738 1 1 884 . 17 1 1 A 75 75 LYS H H 117 7.755 7.552 0.203 1 1 885 . 17 1 1 A 75 75 LYS HA H 117 4.146 4.010 0.136 1 1 894 . 17 1 1 A 75 75 LYS C C 117 173.559 179.618 -6.059 1 1 895 . 17 1 1 A 75 75 LYS CA C 117 59.610 59.378 0.232 1 1 896 . 17 1 1 A 75 75 LYS CB C 117 31.495 32.270 -0.775 1 1 900 . 17 1 1 A 75 75 LYS N N 117 120.230 118.994 1.236 1 1 901 . 17 1 1 A 76 76 VAL H H 118 7.880 7.960 -0.080 1 1 902 . 17 1 1 A 76 76 VAL HA H 118 3.598 3.842 -0.244 1 1 910 . 17 1 1 A 76 76 VAL C C 118 178.205 177.922 0.283 1 1 911 . 17 1 1 A 76 76 VAL CA C 118 66.641 65.134 1.507 1 1 912 . 17 1 1 A 76 76 VAL CB C 118 31.485 31.618 -0.133 1 1 915 . 17 1 1 A 76 76 VAL N N 118 120.500 115.397 5.103 1 1 916 . 17 1 1 A 77 77 MET H H 119 8.262 8.045 0.217 1 1 917 . 17 1 1 A 77 77 MET HA H 119 3.904 3.862 0.042 1 1 925 . 17 1 1 A 77 77 MET C C 119 178.200 177.233 0.967 1 1 926 . 17 1 1 A 77 77 MET CA C 119 59.610 58.533 1.077 1 1 927 . 17 1 1 A 77 77 MET CB C 119 32.422 31.761 0.661 1 1 930 . 17 1 1 A 77 77 MET N N 119 118.320 120.396 -2.076 1 1 931 . 17 1 1 A 78 78 ASP H H 120 8.720 7.719 1.001 1 1 932 . 17 1 1 A 78 78 ASP HA H 120 4.400 4.083 0.317 1 1 935 . 17 1 1 A 78 78 ASP C C 120 178.216 178.505 -0.289 1 1 936 . 17 1 1 A 78 78 ASP CA C 120 56.797 57.496 -0.699 1 1 937 . 17 1 1 A 78 78 ASP CB C 120 38.980 40.876 -1.896 1 1 938 . 17 1 1 A 78 78 ASP N N 120 117.800 119.343 -1.543 1 1 939 . 17 1 1 A 79 79 THR H H 121 8.040 7.688 0.352 1 1 940 . 17 1 1 A 79 79 THR HA H 121 3.939 4.007 -0.068 1 1 945 . 17 1 1 A 79 79 THR C C 121 176.582 176.824 -0.242 1 1 946 . 17 1 1 A 79 79 THR CA C 121 66.641 66.840 -0.199 1 1 947 . 17 1 1 A 79 79 THR CB C 121 68.516 67.760 0.756 1 1 949 . 17 1 1 A 79 79 THR N N 121 118.470 116.494 1.976 1 1 950 . 17 1 1 A 80 80 LEU H H 122 7.931 8.277 -0.346 1 1 951 . 17 1 1 A 80 80 LEU HA H 122 4.136 4.125 0.011 1 1 961 . 17 1 1 A 80 80 LEU C C 122 178.936 179.011 -0.075 1 1 962 . 17 1 1 A 80 80 LEU CA C 122 58.672 57.863 0.809 1 1 963 . 17 1 1 A 80 80 LEU CB C 122 41.328 41.739 -0.411 1 1 967 . 17 1 1 A 80 80 LEU N N 122 121.676 121.716 -0.040 1 1 968 . 17 1 1 A 81 81 HIS H H 123 8.825 7.754 1.071 1 1 969 . 17 1 1 A 81 81 HIS HA H 123 4.455 4.256 0.199 1 1 974 . 17 1 1 A 81 81 HIS C C 123 179.780 178.645 1.135 1 1 975 . 17 1 1 A 81 81 HIS CA C 123 57.732 59.656 -1.924 1 1 976 . 17 1 1 A 81 81 HIS CB C 123 28.672 29.838 -1.166 1 1 977 . 17 1 1 A 81 81 HIS N N 123 117.910 118.184 -0.274 1 1 978 . 17 1 1 A 82 82 GLN H H 124 8.740 8.575 0.165 1 1 979 . 17 1 1 A 82 82 GLN HA H 124 4.092 4.067 0.025 1 1 984 . 17 1 1 A 82 82 GLN C C 124 177.091 177.015 0.076 1 1 985 . 17 1 1 A 82 82 GLN CA C 124 58.672 57.816 0.856 1 1 986 . 17 1 1 A 82 82 GLN CB C 124 28.204 27.180 1.024 1 1 988 . 17 1 1 A 82 82 GLN N N 124 120.420 116.827 3.593 1 1 989 . 17 1 1 A 83 83 ALA H H 125 7.330 7.322 0.008 1 1 990 . 17 1 1 A 83 83 ALA HA H 125 4.495 4.286 0.209 1 1 994 . 17 1 1 A 83 83 ALA C C 125 176.371 177.700 -1.329 1 1 995 . 17 1 1 A 83 83 ALA CA C 125 52.110 51.989 0.121 1 1 996 . 17 1 1 A 83 83 ALA CB C 125 19.756 19.135 0.621 1 1 997 . 17 1 1 A 83 83 ALA N N 125 119.130 120.532 -1.402 1 1 998 . 17 1 1 A 84 84 GLY H H 126 7.780 7.992 -0.212 1 1 999 . 17 1 1 A 84 84 GLY HA2 H 126 4.111 3.872 0.239 1 1 1000 . 17 1 1 A 84 84 GLY HA3 H 126 3.505 3.934 -0.429 1 1 1001 . 17 1 1 A 84 84 GLY C C 126 173.562 174.208 -0.646 1 1 1002 . 17 1 1 A 84 84 GLY CA C 126 44.610 45.016 -0.406 1 1 1003 . 17 1 1 A 84 84 GLY N N 126 104.120 106.362 -2.242 1 1 1004 . 17 1 1 A 85 85 TYR H H 127 7.910 7.600 0.310 1 1 1005 . 17 1 1 A 85 85 TYR HA H 127 4.551 4.411 0.140 1 1 1012 . 17 1 1 A 85 85 TYR C C 127 177.192 176.014 1.178 1 1 1013 . 17 1 1 A 85 85 TYR CA C 127 59.610 59.541 0.069 1 1 1014 . 17 1 1 A 85 85 TYR CB C 127 37.110 38.805 -1.695 1 1 1015 . 17 1 1 A 85 85 TYR N N 127 120.310 120.170 0.140 1 1 1016 . 17 1 1 A 86 86 LEU H H 128 7.835 8.844 -1.009 1 1 1017 . 17 1 1 A 86 86 LEU HA H 128 4.357 4.604 -0.247 1 1 1027 . 17 1 1 A 86 86 LEU C C 128 178.503 175.623 2.880 1 1 1028 . 17 1 1 A 86 86 LEU CA C 128 54.456 54.310 0.146 1 1 1029 . 17 1 1 A 86 86 LEU CB C 128 43.203 43.583 -0.380 1 1 1033 . 17 1 1 A 86 86 LEU N N 128 120.100 125.494 -5.394 1 1 1034 . 17 1 1 A 87 87 LYS H H 129 9.330 7.805 1.525 1 1 1035 . 17 1 1 A 87 87 LYS HA H 129 4.512 4.582 -0.070 1 1 1044 . 17 1 1 A 87 87 LYS C C 129 173.251 174.845 -1.594 1 1 1045 . 17 1 1 A 87 87 LYS CA C 129 54.922 55.340 -0.418 1 1 1046 . 17 1 1 A 87 87 LYS CB C 129 31.000 33.307 -2.307 1 1 1050 . 17 1 1 A 87 87 LYS N N 129 125.180 118.853 6.327 1 1 1051 . 17 1 1 A 88 88 ILE H H 130 7.589 8.295 -0.706 1 1 1052 . 17 1 1 A 88 88 ILE HA H 130 5.015 4.737 0.278 1 1 1062 . 17 1 1 A 88 88 ILE C C 130 176.481 175.674 0.807 1 1 1063 . 17 1 1 A 88 88 ILE CA C 130 58.672 59.607 -0.935 1 1 1064 . 17 1 1 A 88 88 ILE CB C 130 40.391 39.546 0.845 1 1 1068 . 17 1 1 A 88 88 ILE N N 130 122.487 125.415 -2.928 1 1 1069 . 17 1 1 A 89 89 GLY H H 131 8.960 8.986 -0.026 1 1 1070 . 17 1 1 A 89 89 GLY HA2 H 131 4.543 3.421 1.122 1 1 1071 . 17 1 1 A 89 89 GLY HA3 H 131 3.488 3.798 -0.310 1 1 1072 . 17 1 1 A 89 89 GLY C C 131 171.936 171.525 0.411 1 1 1073 . 17 1 1 A 89 89 GLY CA C 131 44.610 44.815 -0.205 1 1 1074 . 17 1 1 A 89 89 GLY N N 131 115.300 115.792 -0.492 1 1 1075 . 17 1 1 A 90 90 LEU H H 132 8.610 8.169 0.441 1 1 1076 . 17 1 1 A 90 90 LEU HA H 132 5.061 4.712 0.349 1 1 1086 . 17 1 1 A 90 90 LEU C C 132 177.246 175.507 1.739 1 1 1087 . 17 1 1 A 90 90 LEU CA C 132 54.453 53.649 0.804 1 1 1088 . 17 1 1 A 90 90 LEU CB C 132 42.735 43.474 -0.739 1 1 1092 . 17 1 1 A 90 90 LEU N N 132 124.560 124.243 0.317 1 1 1093 . 17 1 1 A 91 91 VAL H H 133 8.630 8.499 0.131 1 1 1094 . 17 1 1 A 91 91 VAL HA H 133 4.299 3.951 0.348 1 1 1102 . 17 1 1 A 91 91 VAL C C 133 176.296 177.194 -0.898 1 1 1103 . 17 1 1 A 91 91 VAL CA C 133 61.953 63.521 -1.568 1 1 1104 . 17 1 1 A 91 91 VAL CB C 133 33.360 32.031 1.329 1 1 1107 . 17 1 1 A 91 91 VAL N N 133 123.280 127.127 -3.847 1 1 1108 . 17 1 1 A 92 92 GLY H H 134 8.620 9.145 -0.525 1 1 1109 . 17 1 1 A 92 92 GLY HA2 H 134 4.154 4.124 0.030 1 1 1110 . 17 1 1 A 92 92 GLY HA3 H 134 4.007 4.137 -0.130 1 1 1111 . 17 1 1 A 92 92 GLY C C 134 174.157 174.151 0.006 1 1 1112 . 17 1 1 A 92 92 GLY CA C 134 45.097 45.625 -0.528 1 1 1113 . 17 1 1 A 92 92 GLY N N 134 112.500 116.770 -4.270 1 1 1114 . 17 1 1 A 93 93 GLU H H 135 8.278 8.438 -0.160 1 1 1115 . 17 1 1 A 93 93 GLU HA H 135 4.387 4.445 -0.058 1 1 1120 . 17 1 1 A 93 93 GLU C C 135 176.500 175.215 1.285 1 1 1121 . 17 1 1 A 93 93 GLU CA C 135 56.797 55.368 1.429 1 1 1122 . 17 1 1 A 93 93 GLU CB C 135 29.141 28.270 0.871 1 1 1124 . 17 1 1 A 93 93 GLU N N 135 119.460 123.096 -3.636 1 1 1125 . 17 1 1 A 94 94 GLU H H 136 8.680 7.987 0.693 1 1 1126 . 17 1 1 A 94 94 GLU HA H 136 4.387 5.083 -0.696 1 1 1131 . 17 1 1 A 94 94 GLU C C 136 176.970 174.969 2.001 1 1 1132 . 17 1 1 A 94 94 GLU CA C 136 56.797 55.417 1.380 1 1 1133 . 17 1 1 A 94 94 GLU CB C 136 29.141 31.873 -2.732 1 1 1135 . 17 1 1 A 94 94 GLU N N 136 121.740 125.720 -3.980 1 1 1136 . 17 1 1 A 95 95 THR H H 137 8.221 8.643 -0.422 1 1 1137 . 17 1 1 A 95 95 THR HA H 137 4.228 4.810 -0.582 1 1 1142 . 17 1 1 A 95 95 THR C C 137 174.880 173.970 0.910 1 1 1143 . 17 1 1 A 95 95 THR CA C 137 62.422 60.687 1.735 1 1 1144 . 17 1 1 A 95 95 THR CB C 137 69.454 70.607 -1.153 1 1 1146 . 17 1 1 A 95 95 THR N N 137 115.380 120.737 -5.357 1 1 1147 . 17 1 1 A 96 96 ALA H H 138 8.311 9.064 -0.753 1 1 1148 . 17 1 1 A 96 96 ALA HA H 138 4.233 3.973 0.260 1 1 1152 . 17 1 1 A 96 96 ALA C C 138 178.469 176.878 1.591 1 1 1153 . 17 1 1 A 96 96 ALA CA C 138 53.516 54.250 -0.734 1 1 1154 . 17 1 1 A 96 96 ALA CB C 138 18.828 18.132 0.696 1 1 1155 . 17 1 1 A 96 96 ALA N N 138 125.688 123.097 2.591 1 1 1156 . 17 1 1 A 97 97 LYS H H 139 8.210 8.894 -0.684 1 1 1157 . 17 1 1 A 97 97 LYS HA H 139 4.163 3.907 0.256 1 1 1166 . 17 1 1 A 97 97 LYS C C 139 177.154 175.532 1.622 1 1 1167 . 17 1 1 A 97 97 LYS CA C 139 57.265 56.758 0.507 1 1 1168 . 17 1 1 A 97 97 LYS CB C 139 32.891 31.222 1.669 1 1 1172 . 17 1 1 A 97 97 LYS N N 139 120.110 116.450 3.660 1 1 1173 . 17 1 1 A 98 98 ALA H H 140 8.170 7.930 0.240 1 1 1174 . 17 1 1 A 98 98 ALA HA H 140 4.209 4.914 -0.705 1 1 1178 . 17 1 1 A 98 98 ALA C C 140 178.469 174.983 3.486 1 1 1179 . 17 1 1 A 98 98 ALA CA C 140 53.516 51.014 2.502 1 1 1180 . 17 1 1 A 98 98 ALA CB C 140 18.828 23.627 -4.799 1 1 1181 . 17 1 1 A 98 98 ALA N N 140 124.210 122.896 1.314 1 1 1 . 18 1 1 A 2 2 ASP H H 44 8.930 8.033 0.897 1 1 2 . 18 1 1 A 2 2 ASP HA H 44 4.860 4.801 0.059 1 1 5 . 18 1 1 A 2 2 ASP C C 44 175.278 174.444 0.834 1 1 6 . 18 1 1 A 2 2 ASP CA C 44 53.516 53.580 -0.064 1 1 7 . 18 1 1 A 2 2 ASP CB C 44 39.397 40.786 -1.389 1 1 8 . 18 1 1 A 2 2 ASP N N 44 122.920 117.850 5.070 1 1 9 . 18 1 1 A 3 3 VAL H H 45 8.329 8.055 0.274 1 1 10 . 18 1 1 A 3 3 VAL HA H 45 4.120 4.502 -0.382 1 1 18 . 18 1 1 A 3 3 VAL C C 45 175.938 175.322 0.616 1 1 19 . 18 1 1 A 3 3 VAL CA C 45 62.422 59.710 2.712 1 1 20 . 18 1 1 A 3 3 VAL CB C 45 32.300 33.895 -1.595 1 1 23 . 18 1 1 A 3 3 VAL N N 45 121.541 123.028 -1.487 1 1 24 . 18 1 1 A 4 4 LYS H H 46 8.400 8.740 -0.340 1 1 25 . 18 1 1 A 4 4 LYS HA H 46 4.387 3.867 0.520 1 1 34 . 18 1 1 A 4 4 LYS C C 46 176.333 175.384 0.949 1 1 35 . 18 1 1 A 4 4 LYS CA C 46 56.270 56.814 -0.544 1 1 36 . 18 1 1 A 4 4 LYS CB C 46 32.874 31.013 1.861 1 1 40 . 18 1 1 A 4 4 LYS N N 46 125.410 124.059 1.351 1 1 42 . 18 1 1 A 5 5 VAL H H 47 8.190 8.117 0.073 1 1 43 . 18 1 1 A 5 5 VAL HA H 47 4.118 4.629 -0.511 1 1 51 . 18 1 1 A 5 5 VAL C C 47 175.567 175.359 0.208 1 1 52 . 18 1 1 A 5 5 VAL CA C 47 61.954 60.818 1.136 1 1 53 . 18 1 1 A 5 5 VAL CB C 47 32.443 34.520 -2.077 1 1 56 . 18 1 1 A 5 5 VAL N N 47 121.672 120.744 0.928 1 1 57 . 18 1 1 A 6 6 ASN H H 48 8.571 8.698 -0.127 1 1 58 . 18 1 1 A 6 6 ASN HA H 48 4.750 5.386 -0.636 1 1 61 . 18 1 1 A 6 6 ASN C C 48 174.566 174.581 -0.015 1 1 62 . 18 1 1 A 6 6 ASN CA C 48 53.047 52.010 1.037 1 1 63 . 18 1 1 A 6 6 ASN CB C 48 38.901 40.899 -1.998 1 1 64 . 18 1 1 A 6 6 ASN N N 48 123.230 125.217 -1.987 1 1 65 . 18 1 1 A 7 7 LEU H H 49 8.286 8.908 -0.622 1 1 66 . 18 1 1 A 7 7 LEU HA H 49 4.632 5.108 -0.476 1 1 76 . 18 1 1 A 7 7 LEU C C 49 175.162 173.976 1.186 1 1 77 . 18 1 1 A 7 7 LEU CA C 49 53.047 52.032 1.015 1 1 78 . 18 1 1 A 7 7 LEU CB C 49 41.825 43.042 -1.217 1 1 82 . 18 1 1 A 7 7 LEU N N 49 124.491 122.826 1.665 1 1 83 . 18 1 1 A 8 8 PRO HA H 50 4.443 4.774 -0.331 1 1 90 . 18 1 1 A 8 8 PRO C C 50 176.734 175.959 0.775 1 1 91 . 18 1 1 A 8 8 PRO CA C 50 62.903 62.661 0.242 1 1 92 . 18 1 1 A 8 8 PRO CB C 50 31.839 33.230 -1.391 1 1 95 . 18 1 1 A 9 9 ALA H H 51 8.424 8.292 0.132 1 1 96 . 18 1 1 A 9 9 ALA HA H 51 4.330 4.843 -0.513 1 1 100 . 18 1 1 A 9 9 ALA C C 51 178.124 175.160 2.964 1 1 101 . 18 1 1 A 9 9 ALA CA C 51 52.578 51.261 1.317 1 1 102 . 18 1 1 A 9 9 ALA CB C 51 19.297 23.315 -4.018 1 1 103 . 18 1 1 A 9 9 ALA N N 51 124.364 119.817 4.547 1 1 104 . 18 1 1 A 10 10 SER H H 52 8.380 8.794 -0.414 1 1 105 . 18 1 1 A 10 10 SER HA H 52 4.223 5.312 -1.089 1 1 108 . 18 1 1 A 10 10 SER C C 52 174.982 172.864 2.118 1 1 109 . 18 1 1 A 10 10 SER CA C 52 58.672 56.732 1.940 1 1 110 . 18 1 1 A 10 10 SER CB C 52 63.829 65.210 -1.381 1 1 111 . 18 1 1 A 10 10 SER N N 52 114.800 114.947 -0.147 1 1 112 . 18 1 1 A 11 11 THR H H 53 8.227 9.017 -0.790 1 1 113 . 18 1 1 A 11 11 THR HA H 53 4.478 5.120 -0.642 1 1 118 . 18 1 1 A 11 11 THR C C 53 174.612 173.995 0.617 1 1 119 . 18 1 1 A 11 11 THR CA C 53 61.922 59.131 2.791 1 1 120 . 18 1 1 A 11 11 THR CB C 53 69.922 71.678 -1.756 1 1 122 . 18 1 1 A 11 11 THR N N 53 115.236 116.685 -1.449 1 1 123 . 18 1 1 A 12 12 SER H H 54 8.330 8.659 -0.329 1 1 124 . 18 1 1 A 12 12 SER HA H 54 4.559 4.548 0.011 1 1 127 . 18 1 1 A 12 12 SER C C 54 174.299 174.021 0.278 1 1 128 . 18 1 1 A 12 12 SER CA C 54 58.204 59.311 -1.107 1 1 129 . 18 1 1 A 12 12 SER CB C 54 63.891 63.950 -0.059 1 1 130 . 18 1 1 A 12 12 SER N N 54 117.770 118.330 -0.560 1 1 131 . 18 1 1 A 13 13 THR H H 55 8.274 8.671 -0.397 1 1 132 . 18 1 1 A 13 13 THR HA H 55 4.624 4.941 -0.317 1 1 137 . 18 1 1 A 13 13 THR C C 55 170.400 172.932 -2.532 1 1 138 . 18 1 1 A 13 13 THR CA C 55 60.079 58.786 1.293 1 1 139 . 18 1 1 A 13 13 THR CB C 55 69.922 68.954 0.968 1 1 141 . 18 1 1 A 13 13 THR N N 55 118.865 114.519 4.346 1 1 142 . 18 1 1 A 14 14 PRO HA H 56 4.458 4.597 -0.139 1 1 149 . 18 1 1 A 14 14 PRO C C 56 176.748 175.517 1.231 1 1 150 . 18 1 1 A 14 14 PRO CA C 56 63.076 62.754 0.322 1 1 151 . 18 1 1 A 14 14 PRO CB C 56 32.043 31.689 0.354 1 1 154 . 18 1 1 A 15 15 GLN H H 57 8.547 8.789 -0.242 1 1 155 . 18 1 1 A 15 15 GLN HA H 57 4.620 4.644 -0.024 1 1 160 . 18 1 1 A 15 15 GLN CA C 57 53.600 53.884 -0.284 1 1 161 . 18 1 1 A 15 15 GLN CB C 57 29.141 28.903 0.238 1 1 163 . 18 1 1 A 15 15 GLN N N 57 122.041 122.901 -0.860 1 1 165 . 18 1 1 A 16 16 PRO HA H 58 4.458 4.649 -0.191 1 1 172 . 18 1 1 A 16 16 PRO C C 58 176.620 175.891 0.729 1 1 173 . 18 1 1 A 16 16 PRO CA C 58 62.872 62.824 0.048 1 1 174 . 18 1 1 A 16 16 PRO CB C 58 32.111 33.144 -1.033 1 1 177 . 18 1 1 A 17 17 ARG H H 59 8.511 8.438 0.073 1 1 178 . 18 1 1 A 17 17 ARG HA H 59 4.643 4.942 -0.299 1 1 185 . 18 1 1 A 17 17 ARG CA C 59 53.985 53.834 0.151 1 1 186 . 18 1 1 A 17 17 ARG CB C 59 30.195 31.106 -0.911 1 1 189 . 18 1 1 A 17 17 ARG N N 59 122.731 121.308 1.423 1 1 190 . 18 1 1 A 18 18 PRO HA H 60 4.458 4.597 -0.139 1 1 197 . 18 1 1 A 18 18 PRO C C 60 176.892 175.442 1.450 1 1 198 . 18 1 1 A 18 18 PRO CA C 60 62.940 62.623 0.317 1 1 199 . 18 1 1 A 18 18 PRO CB C 60 32.891 32.971 -0.080 1 1 202 . 18 1 1 A 19 19 GLU H H 61 8.480 8.480 0.000 1 1 203 . 18 1 1 A 19 19 GLU HA H 61 4.391 4.948 -0.557 1 1 208 . 18 1 1 A 19 19 GLU C C 61 176.174 175.387 0.787 1 1 209 . 18 1 1 A 19 19 GLU CA C 61 54.922 54.944 -0.022 1 1 210 . 18 1 1 A 19 19 GLU CB C 61 29.141 32.957 -3.816 1 1 212 . 18 1 1 A 19 19 GLU N N 61 120.840 120.187 0.653 1 1 213 . 18 1 1 A 20 20 LYS H H 62 8.502 8.799 -0.297 1 1 214 . 18 1 1 A 20 20 LYS HA H 62 4.620 4.825 -0.205 1 1 223 . 18 1 1 A 20 20 LYS C C 62 171.420 173.937 -2.517 1 1 224 . 18 1 1 A 20 20 LYS CA C 62 54.827 53.128 1.699 1 1 225 . 18 1 1 A 20 20 LYS CB C 62 32.422 33.897 -1.475 1 1 229 . 18 1 1 A 20 20 LYS N N 62 125.117 124.117 1.000 1 1 230 . 18 1 1 A 21 21 PRO HA H 63 4.448 4.585 -0.137 1 1 237 . 18 1 1 A 21 21 PRO CA C 63 62.261 62.522 -0.261 1 1 238 . 18 1 1 A 21 21 PRO CB C 63 32.422 32.540 -0.118 1 1 241 . 18 1 1 A 22 22 VAL H H 64 8.570 8.546 0.024 1 1 242 . 18 1 1 A 22 22 VAL HA H 64 4.097 4.489 -0.392 1 1 250 . 18 1 1 A 22 22 VAL C C 64 173.862 174.363 -0.501 1 1 251 . 18 1 1 A 22 22 VAL CA C 64 61.000 61.491 -0.491 1 1 252 . 18 1 1 A 22 22 VAL CB C 64 33.770 32.928 0.842 1 1 255 . 18 1 1 A 22 22 VAL N N 64 120.453 122.684 -2.231 1 1 256 . 18 1 1 A 23 23 TYR H H 65 8.600 9.053 -0.453 1 1 257 . 18 1 1 A 23 23 TYR HA H 65 5.207 5.444 -0.237 1 1 264 . 18 1 1 A 23 23 TYR C C 65 174.916 174.208 0.708 1 1 265 . 18 1 1 A 23 23 TYR CA C 65 57.210 55.773 1.437 1 1 266 . 18 1 1 A 23 23 TYR CB C 65 39.454 41.836 -2.382 1 1 267 . 18 1 1 A 23 23 TYR N N 65 124.580 128.719 -4.139 1 1 268 . 18 1 1 A 24 24 LEU H H 66 9.186 9.356 -0.170 1 1 269 . 18 1 1 A 24 24 LEU HA H 66 5.261 5.029 0.232 1 1 279 . 18 1 1 A 24 24 LEU C C 66 175.491 175.992 -0.501 1 1 280 . 18 1 1 A 24 24 LEU CA C 66 53.516 53.944 -0.428 1 1 281 . 18 1 1 A 24 24 LEU CB C 66 45.078 43.588 1.490 1 1 285 . 18 1 1 A 24 24 LEU N N 66 128.669 128.474 0.195 1 1 286 . 18 1 1 A 25 25 SER H H 67 9.300 8.848 0.452 1 1 287 . 18 1 1 A 25 25 SER HA H 67 5.637 5.375 0.262 1 1 290 . 18 1 1 A 25 25 SER C C 67 173.470 173.377 0.093 1 1 291 . 18 1 1 A 25 25 SER CA C 67 56.784 57.661 -0.877 1 1 292 . 18 1 1 A 25 25 SER CB C 67 65.267 65.500 -0.233 1 1 293 . 18 1 1 A 25 25 SER N N 67 120.290 119.641 0.649 1 1 294 . 18 1 1 A 26 26 VAL H H 68 8.600 8.798 -0.198 1 1 295 . 18 1 1 A 26 26 VAL HA H 68 4.847 5.299 -0.452 1 1 303 . 18 1 1 A 26 26 VAL C C 68 175.205 174.258 0.947 1 1 304 . 18 1 1 A 26 26 VAL CA C 68 60.950 59.685 1.265 1 1 305 . 18 1 1 A 26 26 VAL CB C 68 33.770 35.030 -1.260 1 1 308 . 18 1 1 A 26 26 VAL N N 68 123.723 124.404 -0.681 1 1 309 . 18 1 1 A 27 27 LYS H H 69 8.760 8.459 0.301 1 1 310 . 18 1 1 A 27 27 LYS HA H 69 4.630 4.871 -0.241 1 1 319 . 18 1 1 A 27 27 LYS C C 69 176.007 176.278 -0.271 1 1 320 . 18 1 1 A 27 27 LYS CA C 69 62.400 54.516 7.884 1 1 321 . 18 1 1 A 27 27 LYS CB C 69 33.820 35.717 -1.897 1 1 325 . 18 1 1 A 27 27 LYS N N 69 126.000 121.513 4.487 1 1 326 . 18 1 1 A 28 28 ALA H H 70 8.728 8.709 0.019 1 1 327 . 18 1 1 A 28 28 ALA HA H 70 4.018 3.888 0.130 1 1 331 . 18 1 1 A 28 28 ALA C C 70 177.852 176.607 1.245 1 1 332 . 18 1 1 A 28 28 ALA CA C 70 53.985 54.833 -0.848 1 1 333 . 18 1 1 A 28 28 ALA CB C 70 19.297 17.946 1.351 1 1 334 . 18 1 1 A 28 28 ALA N N 70 124.480 120.922 3.558 1 1 335 . 18 1 1 A 29 29 ASP H H 71 8.256 8.619 -0.363 1 1 336 . 18 1 1 A 29 29 ASP HA H 71 4.497 4.938 -0.441 1 1 339 . 18 1 1 A 29 29 ASP C C 71 176.455 175.934 0.521 1 1 340 . 18 1 1 A 29 29 ASP CA C 71 53.985 55.497 -1.512 1 1 341 . 18 1 1 A 29 29 ASP CB C 71 39.315 43.850 -4.535 1 1 342 . 18 1 1 A 29 29 ASP N N 71 118.722 116.521 2.201 1 1 343 . 18 1 1 A 30 30 ASN H H 72 8.380 7.868 0.512 1 1 344 . 18 1 1 A 30 30 ASN HA H 72 4.374 4.933 -0.559 1 1 349 . 18 1 1 A 30 30 ASN C C 72 174.641 173.948 0.693 1 1 350 . 18 1 1 A 30 30 ASN CA C 72 54.453 52.406 2.047 1 1 351 . 18 1 1 A 30 30 ASN CB C 72 37.579 39.336 -1.757 1 1 352 . 18 1 1 A 30 30 ASN N N 72 113.000 116.811 -3.811 1 1 353 . 18 1 1 A 31 31 SER H H 73 7.710 7.623 0.087 1 1 354 . 18 1 1 A 31 31 SER HA H 73 4.404 5.006 -0.602 1 1 357 . 18 1 1 A 31 31 SER C C 73 172.527 173.619 -1.092 1 1 358 . 18 1 1 A 31 31 SER CA C 73 58.672 56.855 1.817 1 1 359 . 18 1 1 A 31 31 SER CB C 73 63.303 64.450 -1.147 1 1 360 . 18 1 1 A 31 31 SER N N 73 115.080 113.417 1.663 1 1 361 . 18 1 1 A 32 32 MET H H 74 8.065 8.998 -0.933 1 1 362 . 18 1 1 A 32 32 MET HA H 74 5.573 5.461 0.112 1 1 370 . 18 1 1 A 32 32 MET C C 74 174.974 175.678 -0.704 1 1 371 . 18 1 1 A 32 32 MET CA C 74 54.397 53.918 0.479 1 1 372 . 18 1 1 A 32 32 MET CB C 74 37.579 33.602 3.977 1 1 375 . 18 1 1 A 32 32 MET N N 74 121.780 125.003 -3.223 1 1 376 . 18 1 1 A 33 33 PHE H H 75 8.900 9.199 -0.299 1 1 377 . 18 1 1 A 33 33 PHE HA H 75 5.190 4.917 0.273 1 1 384 . 18 1 1 A 33 33 PHE C C 75 175.228 174.355 0.873 1 1 385 . 18 1 1 A 33 33 PHE CA C 75 56.797 57.861 -1.064 1 1 386 . 18 1 1 A 33 33 PHE CB C 75 44.141 40.889 3.252 1 1 387 . 18 1 1 A 33 33 PHE N N 75 118.800 123.595 -4.795 1 1 388 . 18 1 1 A 34 34 ILE H H 76 8.830 8.442 0.388 1 1 389 . 18 1 1 A 34 34 ILE HA H 76 4.851 4.514 0.337 1 1 399 . 18 1 1 A 34 34 ILE C C 76 177.606 176.792 0.814 1 1 400 . 18 1 1 A 34 34 ILE CA C 76 59.610 60.962 -1.352 1 1 401 . 18 1 1 A 34 34 ILE CB C 76 37.990 38.157 -0.167 1 1 405 . 18 1 1 A 34 34 ILE N N 76 121.330 128.450 -7.120 1 1 406 . 18 1 1 A 35 35 GLY H H 77 9.177 8.722 0.455 1 1 407 . 18 1 1 A 35 35 GLY HA2 H 77 4.139 3.849 0.290 1 1 408 . 18 1 1 A 35 35 GLY HA3 H 77 3.742 3.850 -0.108 1 1 409 . 18 1 1 A 35 35 GLY C C 77 174.757 175.225 -0.468 1 1 410 . 18 1 1 A 35 35 GLY CA C 77 47.422 46.848 0.574 1 1 411 . 18 1 1 A 35 35 GLY N N 77 118.894 111.814 7.080 1 1 412 . 18 1 1 A 36 36 ASN H H 78 9.170 8.989 0.181 1 1 413 . 18 1 1 A 36 36 ASN HA H 78 4.846 4.419 0.427 1 1 416 . 18 1 1 A 36 36 ASN C C 78 174.867 173.996 0.871 1 1 417 . 18 1 1 A 36 36 ASN CA C 78 52.578 54.663 -2.085 1 1 418 . 18 1 1 A 36 36 ASN CB C 78 38.985 38.275 0.710 1 1 419 . 18 1 1 A 36 36 ASN N N 78 125.494 122.762 2.732 1 1 420 . 18 1 1 A 37 37 ASP H H 79 8.590 8.372 0.218 1 1 421 . 18 1 1 A 37 37 ASP HA H 79 5.330 5.115 0.215 1 1 424 . 18 1 1 A 37 37 ASP C C 79 173.009 172.895 0.114 1 1 425 . 18 1 1 A 37 37 ASP CA C 79 51.172 51.531 -0.359 1 1 426 . 18 1 1 A 37 37 ASP CB C 79 39.922 41.605 -1.683 1 1 427 . 18 1 1 A 37 37 ASP N N 79 121.409 118.703 2.706 1 1 428 . 18 1 1 A 38 38 PRO HA H 80 4.320 4.441 -0.121 1 1 435 . 18 1 1 A 38 38 PRO C C 80 176.862 176.327 0.535 1 1 436 . 18 1 1 A 38 38 PRO CA C 80 62.422 62.338 0.084 1 1 437 . 18 1 1 A 38 38 PRO CB C 80 32.890 31.453 1.437 1 1 440 . 18 1 1 A 39 39 VAL H H 81 8.001 8.006 -0.005 1 1 441 . 18 1 1 A 39 39 VAL HA H 81 4.522 5.084 -0.562 1 1 449 . 18 1 1 A 39 39 VAL C C 81 173.912 173.647 0.265 1 1 450 . 18 1 1 A 39 39 VAL CA C 81 59.141 59.397 -0.256 1 1 451 . 18 1 1 A 39 39 VAL CB C 81 36.172 36.604 -0.432 1 1 454 . 18 1 1 A 39 39 VAL N N 81 115.450 116.698 -1.248 1 1 455 . 18 1 1 A 40 40 THR H H 82 7.672 8.457 -0.785 1 1 456 . 18 1 1 A 40 40 THR HA H 82 4.746 4.947 -0.201 1 1 461 . 18 1 1 A 40 40 THR C C 82 175.692 174.751 0.941 1 1 462 . 18 1 1 A 40 40 THR CA C 82 59.121 59.350 -0.229 1 1 463 . 18 1 1 A 40 40 THR CB C 82 72.735 71.719 1.016 1 1 465 . 18 1 1 A 40 40 THR N N 82 110.320 113.475 -3.155 1 1 466 . 18 1 1 A 41 41 ASP H H 83 9.370 8.954 0.416 1 1 467 . 18 1 1 A 41 41 ASP HA H 83 4.314 4.583 -0.269 1 1 470 . 18 1 1 A 41 41 ASP C C 83 176.943 177.816 -0.873 1 1 471 . 18 1 1 A 41 41 ASP CA C 83 56.797 55.985 0.812 1 1 472 . 18 1 1 A 41 41 ASP CB C 83 38.047 40.920 -2.873 1 1 473 . 18 1 1 A 41 41 ASP N N 83 118.710 123.007 -4.297 1 1 474 . 18 1 1 A 42 42 GLU H H 84 8.228 8.140 0.088 1 1 475 . 18 1 1 A 42 42 GLU HA H 84 4.336 4.362 -0.026 1 1 480 . 18 1 1 A 42 42 GLU C C 84 177.827 178.177 -0.350 1 1 481 . 18 1 1 A 42 42 GLU CA C 84 58.204 57.889 0.315 1 1 482 . 18 1 1 A 42 42 GLU CB C 84 29.141 30.261 -1.120 1 1 484 . 18 1 1 A 42 42 GLU N N 84 115.213 119.147 -3.934 1 1 485 . 18 1 1 A 43 43 THR H H 85 7.510 7.974 -0.464 1 1 486 . 18 1 1 A 43 43 THR HA H 85 4.664 4.784 -0.120 1 1 491 . 18 1 1 A 43 43 THR C C 85 175.799 175.443 0.356 1 1 492 . 18 1 1 A 43 43 THR CA C 85 61.395 61.692 -0.297 1 1 493 . 18 1 1 A 43 43 THR CB C 85 70.391 69.087 1.304 1 1 495 . 18 1 1 A 43 43 THR N N 85 108.315 113.910 -5.595 1 1 496 . 18 1 1 A 44 44 MET H H 86 7.900 7.968 -0.068 1 1 497 . 18 1 1 A 44 44 MET HA H 86 3.820 4.238 -0.418 1 1 505 . 18 1 1 A 44 44 MET C C 86 176.605 178.407 -1.802 1 1 506 . 18 1 1 A 44 44 MET CA C 86 60.547 58.111 2.436 1 1 507 . 18 1 1 A 44 44 MET CB C 86 32.422 32.138 0.284 1 1 510 . 18 1 1 A 44 44 MET N N 86 121.500 120.248 1.252 1 1 511 . 18 1 1 A 45 45 ILE H H 87 8.430 7.879 0.551 1 1 512 . 18 1 1 A 45 45 ILE HA H 87 3.686 3.819 -0.133 1 1 522 . 18 1 1 A 45 45 ILE C C 87 177.773 178.030 -0.257 1 1 523 . 18 1 1 A 45 45 ILE CA C 87 62.934 64.894 -1.960 1 1 524 . 18 1 1 A 45 45 ILE CB C 87 34.766 37.866 -3.100 1 1 528 . 18 1 1 A 45 45 ILE N N 87 117.970 120.284 -2.314 1 1 529 . 18 1 1 A 46 46 THR H H 88 8.070 8.169 -0.099 1 1 530 . 18 1 1 A 46 46 THR HA H 88 3.953 4.067 -0.114 1 1 535 . 18 1 1 A 46 46 THR C C 88 177.011 177.219 -0.208 1 1 536 . 18 1 1 A 46 46 THR CA C 88 66.640 65.651 0.989 1 1 537 . 18 1 1 A 46 46 THR CB C 88 68.000 68.168 -0.168 1 1 539 . 18 1 1 A 46 46 THR N N 88 116.920 112.726 4.194 1 1 540 . 18 1 1 A 47 47 ALA H H 89 7.710 8.227 -0.517 1 1 541 . 18 1 1 A 47 47 ALA HA H 89 4.240 4.109 0.131 1 1 545 . 18 1 1 A 47 47 ALA C C 89 174.356 179.710 -5.354 1 1 546 . 18 1 1 A 47 47 ALA CA C 89 55.094 55.038 0.056 1 1 547 . 18 1 1 A 47 47 ALA CB C 89 18.828 18.282 0.546 1 1 548 . 18 1 1 A 47 47 ALA N N 89 123.490 124.367 -0.877 1 1 549 . 18 1 1 A 48 48 LEU H H 90 8.570 7.849 0.721 1 1 550 . 18 1 1 A 48 48 LEU HA H 90 3.445 4.170 -0.725 1 1 560 . 18 1 1 A 48 48 LEU C C 90 178.088 178.848 -0.760 1 1 561 . 18 1 1 A 48 48 LEU CA C 90 67.110 57.872 9.238 1 1 562 . 18 1 1 A 48 48 LEU CB C 90 31.420 41.997 -10.577 1 1 566 . 18 1 1 A 48 48 LEU N N 90 119.800 120.482 -0.682 1 1 567 . 18 1 1 A 49 49 ASN H H 91 8.979 8.991 -0.012 1 1 568 . 18 1 1 A 49 49 ASN HA H 91 4.494 4.431 0.063 1 1 571 . 18 1 1 A 49 49 ASN C C 91 178.227 177.356 0.871 1 1 572 . 18 1 1 A 49 49 ASN CA C 91 54.397 56.514 -2.117 1 1 573 . 18 1 1 A 49 49 ASN CB C 91 37.578 38.218 -0.640 1 1 574 . 18 1 1 A 49 49 ASN N N 91 117.500 116.508 0.992 1 1 575 . 18 1 1 A 50 50 ALA H H 92 7.710 7.654 0.056 1 1 576 . 18 1 1 A 50 50 ALA HA H 92 4.232 4.143 0.089 1 1 580 . 18 1 1 A 50 50 ALA C C 92 180.155 179.559 0.596 1 1 581 . 18 1 1 A 50 50 ALA CA C 92 54.886 54.006 0.880 1 1 582 . 18 1 1 A 50 50 ALA CB C 92 17.962 18.307 -0.345 1 1 583 . 18 1 1 A 50 50 ALA N N 92 120.900 122.264 -1.364 1 1 584 . 18 1 1 A 51 51 LEU H H 93 7.670 7.931 -0.261 1 1 585 . 18 1 1 A 51 51 LEU HA H 93 4.340 4.209 0.131 1 1 595 . 18 1 1 A 51 51 LEU C C 93 179.407 177.996 1.411 1 1 596 . 18 1 1 A 51 51 LEU CA C 93 56.829 57.283 -0.454 1 1 597 . 18 1 1 A 51 51 LEU CB C 93 42.734 42.730 0.004 1 1 601 . 18 1 1 A 51 51 LEU N N 93 117.980 117.558 0.422 1 1 602 . 18 1 1 A 52 52 THR H H 94 8.530 8.215 0.315 1 1 603 . 18 1 1 A 52 52 THR HA H 94 4.437 4.505 -0.068 1 1 608 . 18 1 1 A 52 52 THR C C 94 177.112 174.079 3.033 1 1 609 . 18 1 1 A 52 52 THR CA C 94 61.485 62.305 -0.820 1 1 610 . 18 1 1 A 52 52 THR CB C 94 70.860 68.998 1.862 1 1 612 . 18 1 1 A 52 52 THR N N 94 107.010 112.120 -5.110 1 1 613 . 18 1 1 A 53 53 GLU H H 95 8.001 8.362 -0.361 1 1 614 . 18 1 1 A 53 53 GLU HA H 95 4.062 4.015 0.047 1 1 619 . 18 1 1 A 53 53 GLU C C 95 176.199 176.387 -0.188 1 1 620 . 18 1 1 A 53 53 GLU CA C 95 56.797 57.675 -0.878 1 1 621 . 18 1 1 A 53 53 GLU CB C 95 26.346 27.869 -1.523 1 1 623 . 18 1 1 A 53 53 GLU N N 95 117.560 120.194 -2.634 1 1 624 . 18 1 1 A 54 54 GLY H H 96 8.349 8.517 -0.168 1 1 625 . 18 1 1 A 54 54 GLY HA2 H 96 4.120 3.844 0.276 1 1 626 . 18 1 1 A 54 54 GLY HA3 H 96 3.520 3.847 -0.327 1 1 627 . 18 1 1 A 54 54 GLY C C 96 174.264 174.120 0.144 1 1 628 . 18 1 1 A 54 54 GLY CA C 96 44.600 45.356 -0.756 1 1 629 . 18 1 1 A 54 54 GLY N N 96 105.347 104.943 0.404 1 1 630 . 18 1 1 A 55 55 LYS H H 97 7.400 7.755 -0.355 1 1 631 . 18 1 1 A 55 55 LYS HA H 97 4.386 4.405 -0.019 1 1 640 . 18 1 1 A 55 55 LYS C C 97 177.395 176.612 0.783 1 1 641 . 18 1 1 A 55 55 LYS CA C 97 56.797 55.152 1.645 1 1 642 . 18 1 1 A 55 55 LYS CB C 97 30.522 31.079 -0.557 1 1 646 . 18 1 1 A 55 55 LYS N N 97 120.080 121.543 -1.463 1 1 647 . 18 1 1 A 56 56 LYS H H 98 8.510 8.661 -0.151 1 1 648 . 18 1 1 A 56 56 LYS HA H 98 3.940 4.179 -0.239 1 1 657 . 18 1 1 A 56 56 LYS C C 98 176.420 178.447 -2.027 1 1 658 . 18 1 1 A 56 56 LYS CA C 98 56.741 59.062 -2.321 1 1 659 . 18 1 1 A 56 56 LYS CB C 98 30.079 32.040 -1.961 1 1 663 . 18 1 1 A 56 56 LYS N N 98 126.202 125.302 0.900 1 1 664 . 18 1 1 A 57 57 ASP H H 99 8.510 8.060 0.450 1 1 665 . 18 1 1 A 57 57 ASP HA H 99 4.570 4.375 0.195 1 1 668 . 18 1 1 A 57 57 ASP C C 99 174.777 177.591 -2.814 1 1 669 . 18 1 1 A 57 57 ASP CA C 99 52.991 57.620 -4.629 1 1 670 . 18 1 1 A 57 57 ASP CB C 99 38.516 40.544 -2.028 1 1 671 . 18 1 1 A 57 57 ASP N N 99 116.900 119.165 -2.265 1 1 672 . 18 1 1 A 58 58 THR H H 100 7.400 7.312 0.088 1 1 673 . 18 1 1 A 58 58 THR HA H 100 3.971 4.221 -0.250 1 1 678 . 18 1 1 A 58 58 THR C C 100 172.742 174.403 -1.661 1 1 679 . 18 1 1 A 58 58 THR CA C 100 63.360 64.228 -0.868 1 1 680 . 18 1 1 A 58 58 THR CB C 100 70.391 69.192 1.199 1 1 682 . 18 1 1 A 58 58 THR N N 100 117.350 115.141 2.209 1 1 683 . 18 1 1 A 59 59 THR H H 101 8.414 8.781 -0.367 1 1 684 . 18 1 1 A 59 59 THR HA H 101 4.174 4.548 -0.374 1 1 689 . 18 1 1 A 59 59 THR C C 101 172.505 174.249 -1.744 1 1 690 . 18 1 1 A 59 59 THR CA C 101 63.829 63.846 -0.017 1 1 691 . 18 1 1 A 59 59 THR CB C 101 69.454 68.574 0.880 1 1 693 . 18 1 1 A 59 59 THR N N 101 123.260 122.695 0.565 1 1 694 . 18 1 1 A 60 60 ILE H H 102 8.190 8.841 -0.651 1 1 695 . 18 1 1 A 60 60 ILE HA H 102 4.399 5.014 -0.615 1 1 705 . 18 1 1 A 60 60 ILE C C 102 175.119 175.570 -0.451 1 1 706 . 18 1 1 A 60 60 ILE CA C 102 58.204 60.200 -1.996 1 1 707 . 18 1 1 A 60 60 ILE CB C 102 38.047 38.322 -0.275 1 1 711 . 18 1 1 A 60 60 ILE N N 102 126.467 128.636 -2.169 1 1 712 . 18 1 1 A 61 61 PHE H H 103 8.900 8.948 -0.048 1 1 713 . 18 1 1 A 61 61 PHE HA H 103 5.204 5.136 0.068 1 1 720 . 18 1 1 A 61 61 PHE C C 103 174.877 174.868 0.009 1 1 721 . 18 1 1 A 61 61 PHE CA C 103 57.266 56.607 0.659 1 1 722 . 18 1 1 A 61 61 PHE CB C 103 40.860 39.462 1.398 1 1 723 . 18 1 1 A 61 61 PHE N N 103 125.650 126.986 -1.336 1 1 724 . 18 1 1 A 62 62 PHE H H 104 9.110 8.877 0.233 1 1 725 . 18 1 1 A 62 62 PHE HA H 104 5.590 4.888 0.702 1 1 732 . 18 1 1 A 62 62 PHE C C 104 174.407 173.834 0.573 1 1 733 . 18 1 1 A 62 62 PHE CA C 104 54.922 56.942 -2.020 1 1 734 . 18 1 1 A 62 62 PHE CB C 104 41.300 39.870 1.430 1 1 735 . 18 1 1 A 62 62 PHE N N 104 123.447 124.728 -1.281 1 1 736 . 18 1 1 A 63 63 ARG H H 105 9.020 8.634 0.386 1 1 737 . 18 1 1 A 63 63 ARG HA H 105 4.830 4.966 -0.136 1 1 744 . 18 1 1 A 63 63 ARG C C 105 173.862 174.764 -0.902 1 1 745 . 18 1 1 A 63 63 ARG CA C 105 54.453 54.628 -0.175 1 1 746 . 18 1 1 A 63 63 ARG CB C 105 32.422 32.115 0.307 1 1 749 . 18 1 1 A 63 63 ARG N N 105 126.020 128.819 -2.799 1 1 750 . 18 1 1 A 64 64 ALA H H 106 8.640 9.010 -0.370 1 1 751 . 18 1 1 A 64 64 ALA HA H 106 5.223 4.927 0.296 1 1 755 . 18 1 1 A 64 64 ALA C C 106 176.565 175.401 1.164 1 1 756 . 18 1 1 A 64 64 ALA CA C 106 50.235 49.972 0.263 1 1 757 . 18 1 1 A 64 64 ALA CB C 106 22.110 22.522 -0.412 1 1 758 . 18 1 1 A 64 64 ALA N N 106 126.540 129.325 -2.785 1 1 759 . 18 1 1 A 65 65 ASP H H 107 7.900 8.334 -0.434 1 1 760 . 18 1 1 A 65 65 ASP HA H 107 4.685 4.586 0.099 1 1 763 . 18 1 1 A 65 65 ASP C C 107 176.987 177.232 -0.245 1 1 764 . 18 1 1 A 65 65 ASP CA C 107 54.453 53.969 0.484 1 1 765 . 18 1 1 A 65 65 ASP CB C 107 42.209 42.285 -0.076 1 1 766 . 18 1 1 A 65 65 ASP N N 107 121.600 121.018 0.582 1 1 767 . 18 1 1 A 66 66 LYS H H 108 8.700 8.810 -0.110 1 1 768 . 18 1 1 A 66 66 LYS HA H 108 4.221 4.000 0.221 1 1 777 . 18 1 1 A 66 66 LYS C C 108 177.007 178.343 -1.336 1 1 778 . 18 1 1 A 66 66 LYS CA C 108 58.682 58.351 0.331 1 1 779 . 18 1 1 A 66 66 LYS CB C 108 32.422 32.451 -0.029 1 1 783 . 18 1 1 A 66 66 LYS N N 108 120.740 126.252 -5.512 1 1 784 . 18 1 1 A 67 67 THR H H 109 8.035 7.610 0.425 1 1 785 . 18 1 1 A 67 67 THR HA H 109 4.270 4.259 0.011 1 1 790 . 18 1 1 A 67 67 THR C C 109 175.031 175.216 -0.185 1 1 791 . 18 1 1 A 67 67 THR CA C 109 62.422 62.783 -0.361 1 1 792 . 18 1 1 A 67 67 THR CB C 109 68.985 69.368 -0.383 1 1 794 . 18 1 1 A 67 67 THR N N 109 108.086 109.104 -1.018 1 1 795 . 18 1 1 A 68 68 VAL H H 110 7.470 7.365 0.105 1 1 796 . 18 1 1 A 68 68 VAL HA H 110 3.960 3.954 0.006 1 1 804 . 18 1 1 A 68 68 VAL C C 110 175.691 175.629 0.062 1 1 805 . 18 1 1 A 68 68 VAL CA C 110 63.360 63.555 -0.195 1 1 806 . 18 1 1 A 68 68 VAL CB C 110 32.422 31.902 0.520 1 1 809 . 18 1 1 A 68 68 VAL N N 110 123.270 124.806 -1.536 1 1 810 . 18 1 1 A 69 69 ASP H H 111 8.710 8.921 -0.211 1 1 811 . 18 1 1 A 69 69 ASP HA H 111 4.645 5.026 -0.381 1 1 814 . 18 1 1 A 69 69 ASP C C 111 176.150 177.432 -1.282 1 1 815 . 18 1 1 A 69 69 ASP CA C 111 53.989 52.819 1.170 1 1 816 . 18 1 1 A 69 69 ASP CB C 111 41.328 43.538 -2.210 1 1 817 . 18 1 1 A 69 69 ASP N N 111 126.170 125.717 0.453 1 1 818 . 18 1 1 A 70 70 TYR H H 112 8.840 9.036 -0.196 1 1 819 . 18 1 1 A 70 70 TYR HA H 112 4.056 4.175 -0.119 1 1 826 . 18 1 1 A 70 70 TYR C C 112 177.075 177.651 -0.576 1 1 827 . 18 1 1 A 70 70 TYR CA C 112 61.890 62.152 -0.262 1 1 828 . 18 1 1 A 70 70 TYR CB C 112 38.980 38.596 0.384 1 1 829 . 18 1 1 A 70 70 TYR N N 112 123.360 123.368 -0.008 1 1 830 . 18 1 1 A 71 71 GLU H H 113 8.550 8.282 0.268 1 1 831 . 18 1 1 A 71 71 GLU HA H 113 3.904 3.850 0.054 1 1 836 . 18 1 1 A 71 71 GLU C C 113 179.338 178.746 0.592 1 1 837 . 18 1 1 A 71 71 GLU CA C 113 59.610 59.123 0.487 1 1 838 . 18 1 1 A 71 71 GLU CB C 113 27.765 28.826 -1.061 1 1 840 . 18 1 1 A 71 71 GLU N N 113 116.730 118.643 -1.913 1 1 841 . 18 1 1 A 72 72 THR H H 114 7.780 7.637 0.143 1 1 842 . 18 1 1 A 72 72 THR HA H 114 4.320 4.012 0.308 1 1 847 . 18 1 1 A 72 72 THR C C 114 175.987 176.648 -0.661 1 1 848 . 18 1 1 A 72 72 THR CA C 114 67.579 67.000 0.579 1 1 849 . 18 1 1 A 72 72 THR CB C 114 66.640 68.904 -2.264 1 1 851 . 18 1 1 A 72 72 THR N N 114 117.340 117.651 -0.311 1 1 852 . 18 1 1 A 73 73 LEU H H 115 7.570 7.710 -0.140 1 1 853 . 18 1 1 A 73 73 LEU HA H 115 3.838 4.072 -0.234 1 1 863 . 18 1 1 A 73 73 LEU C C 115 178.670 178.430 0.240 1 1 864 . 18 1 1 A 73 73 LEU CA C 115 58.203 57.895 0.308 1 1 865 . 18 1 1 A 73 73 LEU CB C 115 40.860 41.276 -0.416 1 1 868 . 18 1 1 A 73 73 LEU N N 115 120.510 118.424 2.086 1 1 869 . 18 1 1 A 74 74 MET H H 116 8.280 7.653 0.627 1 1 870 . 18 1 1 A 74 74 MET HA H 116 4.100 4.126 -0.026 1 1 878 . 18 1 1 A 74 74 MET C C 116 178.503 178.065 0.438 1 1 879 . 18 1 1 A 74 74 MET CA C 116 57.210 57.961 -0.751 1 1 880 . 18 1 1 A 74 74 MET CB C 116 32.400 31.984 0.416 1 1 883 . 18 1 1 A 74 74 MET N N 116 116.240 118.774 -2.534 1 1 884 . 18 1 1 A 75 75 LYS H H 117 7.755 7.581 0.174 1 1 885 . 18 1 1 A 75 75 LYS HA H 117 4.146 4.011 0.135 1 1 894 . 18 1 1 A 75 75 LYS C C 117 173.559 179.148 -5.589 1 1 895 . 18 1 1 A 75 75 LYS CA C 117 59.610 59.136 0.474 1 1 896 . 18 1 1 A 75 75 LYS CB C 117 31.495 32.672 -1.177 1 1 900 . 18 1 1 A 75 75 LYS N N 117 120.230 119.055 1.175 1 1 901 . 18 1 1 A 76 76 VAL H H 118 7.880 7.462 0.418 1 1 902 . 18 1 1 A 76 76 VAL HA H 118 3.598 3.840 -0.242 1 1 910 . 18 1 1 A 76 76 VAL C C 118 178.205 177.968 0.237 1 1 911 . 18 1 1 A 76 76 VAL CA C 118 66.641 64.930 1.711 1 1 912 . 18 1 1 A 76 76 VAL CB C 118 31.485 31.470 0.015 1 1 915 . 18 1 1 A 76 76 VAL N N 118 120.500 115.930 4.570 1 1 916 . 18 1 1 A 77 77 MET H H 119 8.262 8.045 0.217 1 1 917 . 18 1 1 A 77 77 MET HA H 119 3.904 3.992 -0.088 1 1 925 . 18 1 1 A 77 77 MET C C 119 178.200 177.845 0.355 1 1 926 . 18 1 1 A 77 77 MET CA C 119 59.610 58.322 1.288 1 1 927 . 18 1 1 A 77 77 MET CB C 119 32.422 31.756 0.666 1 1 930 . 18 1 1 A 77 77 MET N N 119 118.320 120.591 -2.271 1 1 931 . 18 1 1 A 78 78 ASP H H 120 8.720 7.786 0.934 1 1 932 . 18 1 1 A 78 78 ASP HA H 120 4.400 4.301 0.099 1 1 935 . 18 1 1 A 78 78 ASP C C 120 178.216 178.899 -0.683 1 1 936 . 18 1 1 A 78 78 ASP CA C 120 56.797 57.227 -0.430 1 1 937 . 18 1 1 A 78 78 ASP CB C 120 38.980 40.584 -1.604 1 1 938 . 18 1 1 A 78 78 ASP N N 120 117.800 119.159 -1.359 1 1 939 . 18 1 1 A 79 79 THR H H 121 8.040 7.758 0.282 1 1 940 . 18 1 1 A 79 79 THR HA H 121 3.939 3.940 -0.001 1 1 945 . 18 1 1 A 79 79 THR C C 121 176.582 177.323 -0.741 1 1 946 . 18 1 1 A 79 79 THR CA C 121 66.641 67.398 -0.757 1 1 947 . 18 1 1 A 79 79 THR CB C 121 68.516 68.668 -0.152 1 1 949 . 18 1 1 A 79 79 THR N N 121 118.470 116.781 1.689 1 1 950 . 18 1 1 A 80 80 LEU H H 122 7.931 8.099 -0.168 1 1 951 . 18 1 1 A 80 80 LEU HA H 122 4.136 4.272 -0.136 1 1 961 . 18 1 1 A 80 80 LEU C C 122 178.936 179.375 -0.439 1 1 962 . 18 1 1 A 80 80 LEU CA C 122 58.672 58.214 0.458 1 1 963 . 18 1 1 A 80 80 LEU CB C 122 41.328 40.998 0.330 1 1 967 . 18 1 1 A 80 80 LEU N N 122 121.676 118.521 3.155 1 1 968 . 18 1 1 A 81 81 HIS H H 123 8.825 7.940 0.885 1 1 969 . 18 1 1 A 81 81 HIS HA H 123 4.455 4.313 0.142 1 1 974 . 18 1 1 A 81 81 HIS C C 123 179.780 177.700 2.080 1 1 975 . 18 1 1 A 81 81 HIS CA C 123 57.732 59.373 -1.641 1 1 976 . 18 1 1 A 81 81 HIS CB C 123 28.672 29.982 -1.310 1 1 977 . 18 1 1 A 81 81 HIS N N 123 117.910 118.458 -0.548 1 1 978 . 18 1 1 A 82 82 GLN H H 124 8.740 7.825 0.915 1 1 979 . 18 1 1 A 82 82 GLN HA H 124 4.092 4.039 0.053 1 1 984 . 18 1 1 A 82 82 GLN C C 124 177.091 177.210 -0.119 1 1 985 . 18 1 1 A 82 82 GLN CA C 124 58.672 58.309 0.363 1 1 986 . 18 1 1 A 82 82 GLN CB C 124 28.204 28.138 0.066 1 1 988 . 18 1 1 A 82 82 GLN N N 124 120.420 117.091 3.329 1 1 989 . 18 1 1 A 83 83 ALA H H 125 7.330 7.233 0.097 1 1 990 . 18 1 1 A 83 83 ALA HA H 125 4.495 4.287 0.208 1 1 994 . 18 1 1 A 83 83 ALA C C 125 176.371 177.925 -1.554 1 1 995 . 18 1 1 A 83 83 ALA CA C 125 52.110 51.630 0.480 1 1 996 . 18 1 1 A 83 83 ALA CB C 125 19.756 18.546 1.210 1 1 997 . 18 1 1 A 83 83 ALA N N 125 119.130 118.913 0.217 1 1 998 . 18 1 1 A 84 84 GLY H H 126 7.780 8.225 -0.445 1 1 999 . 18 1 1 A 84 84 GLY HA2 H 126 4.111 3.778 0.333 1 1 1000 . 18 1 1 A 84 84 GLY HA3 H 126 3.505 3.836 -0.331 1 1 1001 . 18 1 1 A 84 84 GLY C C 126 173.562 173.903 -0.341 1 1 1002 . 18 1 1 A 84 84 GLY CA C 126 44.610 46.873 -2.263 1 1 1003 . 18 1 1 A 84 84 GLY N N 126 104.120 107.503 -3.383 1 1 1004 . 18 1 1 A 85 85 TYR H H 127 7.910 7.758 0.152 1 1 1005 . 18 1 1 A 85 85 TYR HA H 127 4.551 4.139 0.412 1 1 1012 . 18 1 1 A 85 85 TYR C C 127 177.192 175.773 1.419 1 1 1013 . 18 1 1 A 85 85 TYR CA C 127 59.610 57.970 1.640 1 1 1014 . 18 1 1 A 85 85 TYR CB C 127 37.110 36.586 0.524 1 1 1015 . 18 1 1 A 85 85 TYR N N 127 120.310 121.738 -1.428 1 1 1016 . 18 1 1 A 86 86 LEU H H 128 7.835 8.405 -0.570 1 1 1017 . 18 1 1 A 86 86 LEU HA H 128 4.357 4.567 -0.210 1 1 1027 . 18 1 1 A 86 86 LEU C C 128 178.503 176.290 2.213 1 1 1028 . 18 1 1 A 86 86 LEU CA C 128 54.456 54.432 0.024 1 1 1029 . 18 1 1 A 86 86 LEU CB C 128 43.203 42.323 0.880 1 1 1033 . 18 1 1 A 86 86 LEU N N 128 120.100 122.411 -2.311 1 1 1034 . 18 1 1 A 87 87 LYS H H 129 9.330 7.861 1.469 1 1 1035 . 18 1 1 A 87 87 LYS HA H 129 4.512 4.603 -0.091 1 1 1044 . 18 1 1 A 87 87 LYS C C 129 173.251 174.894 -1.643 1 1 1045 . 18 1 1 A 87 87 LYS CA C 129 54.922 55.335 -0.413 1 1 1046 . 18 1 1 A 87 87 LYS CB C 129 31.000 33.388 -2.388 1 1 1050 . 18 1 1 A 87 87 LYS N N 129 125.180 118.559 6.621 1 1 1051 . 18 1 1 A 88 88 ILE H H 130 7.589 8.391 -0.802 1 1 1052 . 18 1 1 A 88 88 ILE HA H 130 5.015 4.618 0.397 1 1 1062 . 18 1 1 A 88 88 ILE C C 130 176.481 175.780 0.701 1 1 1063 . 18 1 1 A 88 88 ILE CA C 130 58.672 59.670 -0.998 1 1 1064 . 18 1 1 A 88 88 ILE CB C 130 40.391 39.013 1.378 1 1 1068 . 18 1 1 A 88 88 ILE N N 130 122.487 125.441 -2.954 1 1 1069 . 18 1 1 A 89 89 GLY H H 131 8.960 8.659 0.301 1 1 1070 . 18 1 1 A 89 89 GLY HA2 H 131 4.543 3.077 1.466 1 1 1071 . 18 1 1 A 89 89 GLY HA3 H 131 3.488 3.708 -0.220 1 1 1072 . 18 1 1 A 89 89 GLY C C 131 171.936 172.201 -0.265 1 1 1073 . 18 1 1 A 89 89 GLY CA C 131 44.610 44.873 -0.263 1 1 1074 . 18 1 1 A 89 89 GLY N N 131 115.300 115.657 -0.357 1 1 1075 . 18 1 1 A 90 90 LEU H H 132 8.610 8.981 -0.371 1 1 1076 . 18 1 1 A 90 90 LEU HA H 132 5.061 4.693 0.368 1 1 1086 . 18 1 1 A 90 90 LEU C C 132 177.246 176.755 0.491 1 1 1087 . 18 1 1 A 90 90 LEU CA C 132 54.453 53.488 0.965 1 1 1088 . 18 1 1 A 90 90 LEU CB C 132 42.735 42.167 0.568 1 1 1092 . 18 1 1 A 90 90 LEU N N 132 124.560 124.744 -0.184 1 1 1093 . 18 1 1 A 91 91 VAL H H 133 8.630 8.625 0.005 1 1 1094 . 18 1 1 A 91 91 VAL HA H 133 4.299 4.026 0.273 1 1 1102 . 18 1 1 A 91 91 VAL C C 133 176.296 176.092 0.204 1 1 1103 . 18 1 1 A 91 91 VAL CA C 133 61.953 63.472 -1.519 1 1 1104 . 18 1 1 A 91 91 VAL CB C 133 33.360 32.139 1.221 1 1 1107 . 18 1 1 A 91 91 VAL N N 133 123.280 126.282 -3.002 1 1 1108 . 18 1 1 A 92 92 GLY H H 134 8.620 8.665 -0.045 1 1 1109 . 18 1 1 A 92 92 GLY HA2 H 134 4.154 4.241 -0.087 1 1 1110 . 18 1 1 A 92 92 GLY HA3 H 134 4.007 4.247 -0.240 1 1 1111 . 18 1 1 A 92 92 GLY C C 134 174.157 172.601 1.556 1 1 1112 . 18 1 1 A 92 92 GLY CA C 134 45.097 44.830 0.267 1 1 1113 . 18 1 1 A 92 92 GLY N N 134 112.500 115.534 -3.034 1 1 1114 . 18 1 1 A 93 93 GLU H H 135 8.278 8.783 -0.505 1 1 1115 . 18 1 1 A 93 93 GLU HA H 135 4.387 4.549 -0.162 1 1 1120 . 18 1 1 A 93 93 GLU C C 135 176.500 175.171 1.329 1 1 1121 . 18 1 1 A 93 93 GLU CA C 135 56.797 55.095 1.702 1 1 1122 . 18 1 1 A 93 93 GLU CB C 135 29.141 29.526 -0.385 1 1 1124 . 18 1 1 A 93 93 GLU N N 135 119.460 122.463 -3.003 1 1 1125 . 18 1 1 A 94 94 GLU H H 136 8.680 7.836 0.844 1 1 1126 . 18 1 1 A 94 94 GLU HA H 136 4.387 5.021 -0.634 1 1 1131 . 18 1 1 A 94 94 GLU C C 136 176.970 175.201 1.769 1 1 1132 . 18 1 1 A 94 94 GLU CA C 136 56.797 54.960 1.837 1 1 1133 . 18 1 1 A 94 94 GLU CB C 136 29.141 32.518 -3.377 1 1 1135 . 18 1 1 A 94 94 GLU N N 136 121.740 123.122 -1.382 1 1 1136 . 18 1 1 A 95 95 THR H H 137 8.221 8.756 -0.535 1 1 1137 . 18 1 1 A 95 95 THR HA H 137 4.228 5.177 -0.949 1 1 1142 . 18 1 1 A 95 95 THR C C 137 174.880 173.725 1.155 1 1 1143 . 18 1 1 A 95 95 THR CA C 137 62.422 61.256 1.166 1 1 1144 . 18 1 1 A 95 95 THR CB C 137 69.454 71.115 -1.661 1 1 1146 . 18 1 1 A 95 95 THR N N 137 115.380 119.432 -4.052 1 1 1147 . 18 1 1 A 96 96 ALA H H 138 8.311 8.739 -0.428 1 1 1148 . 18 1 1 A 96 96 ALA HA H 138 4.233 4.898 -0.665 1 1 1152 . 18 1 1 A 96 96 ALA C C 138 178.469 175.515 2.954 1 1 1153 . 18 1 1 A 96 96 ALA CA C 138 53.516 51.564 1.952 1 1 1154 . 18 1 1 A 96 96 ALA CB C 138 18.828 24.000 -5.172 1 1 1155 . 18 1 1 A 96 96 ALA N N 138 125.688 124.592 1.096 1 1 1156 . 18 1 1 A 97 97 LYS H H 139 8.210 8.657 -0.447 1 1 1157 . 18 1 1 A 97 97 LYS HA H 139 4.163 4.904 -0.741 1 1 1166 . 18 1 1 A 97 97 LYS C C 139 177.154 174.732 2.422 1 1 1167 . 18 1 1 A 97 97 LYS CA C 139 57.265 55.832 1.433 1 1 1168 . 18 1 1 A 97 97 LYS CB C 139 32.891 35.928 -3.037 1 1 1172 . 18 1 1 A 97 97 LYS N N 139 120.110 119.228 0.882 1 1 1173 . 18 1 1 A 98 98 ALA H H 140 8.170 8.623 -0.453 1 1 1174 . 18 1 1 A 98 98 ALA HA H 140 4.209 4.960 -0.751 1 1 1178 . 18 1 1 A 98 98 ALA C C 140 178.469 175.706 2.763 1 1 1179 . 18 1 1 A 98 98 ALA CA C 140 53.516 51.679 1.837 1 1 1180 . 18 1 1 A 98 98 ALA CB C 140 18.828 21.801 -2.973 1 1 1181 . 18 1 1 A 98 98 ALA N N 140 124.210 126.510 -2.300 1 1 1 . 19 1 1 A 2 2 ASP H H 44 8.930 8.779 0.151 1 1 2 . 19 1 1 A 2 2 ASP HA H 44 4.860 5.237 -0.377 1 1 5 . 19 1 1 A 2 2 ASP C C 44 175.278 174.272 1.006 1 1 6 . 19 1 1 A 2 2 ASP CA C 44 53.516 54.030 -0.514 1 1 7 . 19 1 1 A 2 2 ASP CB C 44 39.397 44.309 -4.912 1 1 8 . 19 1 1 A 2 2 ASP N N 44 122.920 122.684 0.236 1 1 9 . 19 1 1 A 3 3 VAL H H 45 8.329 8.560 -0.231 1 1 10 . 19 1 1 A 3 3 VAL HA H 45 4.120 4.977 -0.857 1 1 18 . 19 1 1 A 3 3 VAL C C 45 175.938 174.177 1.761 1 1 19 . 19 1 1 A 3 3 VAL CA C 45 62.422 58.881 3.541 1 1 20 . 19 1 1 A 3 3 VAL CB C 45 32.300 36.394 -4.094 1 1 23 . 19 1 1 A 3 3 VAL N N 45 121.541 117.579 3.962 1 1 24 . 19 1 1 A 4 4 LYS H H 46 8.400 8.619 -0.219 1 1 25 . 19 1 1 A 4 4 LYS HA H 46 4.387 4.731 -0.344 1 1 34 . 19 1 1 A 4 4 LYS C C 46 176.333 174.249 2.084 1 1 35 . 19 1 1 A 4 4 LYS CA C 46 56.270 56.038 0.232 1 1 36 . 19 1 1 A 4 4 LYS CB C 46 32.874 36.653 -3.779 1 1 40 . 19 1 1 A 4 4 LYS N N 46 125.410 121.418 3.992 1 1 42 . 19 1 1 A 5 5 VAL H H 47 8.190 8.822 -0.632 1 1 43 . 19 1 1 A 5 5 VAL HA H 47 4.118 4.955 -0.837 1 1 51 . 19 1 1 A 5 5 VAL C C 47 175.567 174.884 0.683 1 1 52 . 19 1 1 A 5 5 VAL CA C 47 61.954 60.265 1.689 1 1 53 . 19 1 1 A 5 5 VAL CB C 47 32.443 34.100 -1.657 1 1 56 . 19 1 1 A 5 5 VAL N N 47 121.672 121.111 0.561 1 1 57 . 19 1 1 A 6 6 ASN H H 48 8.571 8.736 -0.165 1 1 58 . 19 1 1 A 6 6 ASN HA H 48 4.750 5.324 -0.574 1 1 61 . 19 1 1 A 6 6 ASN C C 48 174.566 174.079 0.487 1 1 62 . 19 1 1 A 6 6 ASN CA C 48 53.047 52.612 0.435 1 1 63 . 19 1 1 A 6 6 ASN CB C 48 38.901 39.717 -0.816 1 1 64 . 19 1 1 A 6 6 ASN N N 48 123.230 123.035 0.195 1 1 65 . 19 1 1 A 7 7 LEU H H 49 8.286 8.711 -0.425 1 1 66 . 19 1 1 A 7 7 LEU HA H 49 4.632 5.064 -0.432 1 1 76 . 19 1 1 A 7 7 LEU C C 49 175.162 174.142 1.020 1 1 77 . 19 1 1 A 7 7 LEU CA C 49 53.047 51.953 1.094 1 1 78 . 19 1 1 A 7 7 LEU CB C 49 41.825 42.792 -0.967 1 1 82 . 19 1 1 A 7 7 LEU N N 49 124.491 125.861 -1.370 1 1 83 . 19 1 1 A 8 8 PRO HA H 50 4.443 4.734 -0.291 1 1 90 . 19 1 1 A 8 8 PRO C C 50 176.734 175.946 0.788 1 1 91 . 19 1 1 A 8 8 PRO CA C 50 62.903 62.614 0.289 1 1 92 . 19 1 1 A 8 8 PRO CB C 50 31.839 32.863 -1.024 1 1 95 . 19 1 1 A 9 9 ALA H H 51 8.424 8.505 -0.081 1 1 96 . 19 1 1 A 9 9 ALA HA H 51 4.330 4.927 -0.597 1 1 100 . 19 1 1 A 9 9 ALA C C 51 178.124 175.520 2.604 1 1 101 . 19 1 1 A 9 9 ALA CA C 51 52.578 51.825 0.753 1 1 102 . 19 1 1 A 9 9 ALA CB C 51 19.297 21.751 -2.454 1 1 103 . 19 1 1 A 9 9 ALA N N 51 124.364 121.611 2.753 1 1 104 . 19 1 1 A 10 10 SER H H 52 8.380 8.589 -0.209 1 1 105 . 19 1 1 A 10 10 SER HA H 52 4.223 5.058 -0.835 1 1 108 . 19 1 1 A 10 10 SER C C 52 174.982 172.497 2.485 1 1 109 . 19 1 1 A 10 10 SER CA C 52 58.672 57.515 1.157 1 1 110 . 19 1 1 A 10 10 SER CB C 52 63.829 66.303 -2.474 1 1 111 . 19 1 1 A 10 10 SER N N 52 114.800 115.658 -0.858 1 1 112 . 19 1 1 A 11 11 THR H H 53 8.227 8.731 -0.504 1 1 113 . 19 1 1 A 11 11 THR HA H 53 4.478 5.130 -0.652 1 1 118 . 19 1 1 A 11 11 THR C C 53 174.612 172.312 2.300 1 1 119 . 19 1 1 A 11 11 THR CA C 53 61.922 59.909 2.013 1 1 120 . 19 1 1 A 11 11 THR CB C 53 69.922 72.404 -2.482 1 1 122 . 19 1 1 A 11 11 THR N N 53 115.236 115.740 -0.504 1 1 123 . 19 1 1 A 12 12 SER H H 54 8.330 8.647 -0.317 1 1 124 . 19 1 1 A 12 12 SER HA H 54 4.559 4.938 -0.379 1 1 127 . 19 1 1 A 12 12 SER C C 54 174.299 172.693 1.606 1 1 128 . 19 1 1 A 12 12 SER CA C 54 58.204 57.508 0.696 1 1 129 . 19 1 1 A 12 12 SER CB C 54 63.891 66.370 -2.479 1 1 130 . 19 1 1 A 12 12 SER N N 54 117.770 121.212 -3.442 1 1 131 . 19 1 1 A 13 13 THR H H 55 8.274 8.858 -0.584 1 1 132 . 19 1 1 A 13 13 THR HA H 55 4.624 4.905 -0.281 1 1 137 . 19 1 1 A 13 13 THR C C 55 170.400 172.720 -2.320 1 1 138 . 19 1 1 A 13 13 THR CA C 55 60.079 58.612 1.467 1 1 139 . 19 1 1 A 13 13 THR CB C 55 69.922 69.586 0.336 1 1 141 . 19 1 1 A 13 13 THR N N 55 118.865 116.084 2.781 1 1 142 . 19 1 1 A 14 14 PRO HA H 56 4.458 4.630 -0.172 1 1 149 . 19 1 1 A 14 14 PRO C C 56 176.748 176.141 0.607 1 1 150 . 19 1 1 A 14 14 PRO CA C 56 63.076 62.593 0.483 1 1 151 . 19 1 1 A 14 14 PRO CB C 56 32.043 33.248 -1.205 1 1 154 . 19 1 1 A 15 15 GLN H H 57 8.547 8.563 -0.016 1 1 155 . 19 1 1 A 15 15 GLN HA H 57 4.620 4.978 -0.358 1 1 160 . 19 1 1 A 15 15 GLN CA C 57 53.600 53.377 0.223 1 1 161 . 19 1 1 A 15 15 GLN CB C 57 29.141 31.913 -2.772 1 1 163 . 19 1 1 A 15 15 GLN N N 57 122.041 116.075 5.966 1 1 165 . 19 1 1 A 16 16 PRO HA H 58 4.458 4.660 -0.202 1 1 172 . 19 1 1 A 16 16 PRO C C 58 176.620 176.459 0.161 1 1 173 . 19 1 1 A 16 16 PRO CA C 58 62.872 62.694 0.178 1 1 174 . 19 1 1 A 16 16 PRO CB C 58 32.111 32.285 -0.174 1 1 177 . 19 1 1 A 17 17 ARG H H 59 8.511 8.522 -0.011 1 1 178 . 19 1 1 A 17 17 ARG HA H 59 4.643 5.043 -0.400 1 1 185 . 19 1 1 A 17 17 ARG CA C 59 53.985 53.452 0.533 1 1 186 . 19 1 1 A 17 17 ARG CB C 59 30.195 33.407 -3.212 1 1 189 . 19 1 1 A 17 17 ARG N N 59 122.731 118.125 4.606 1 1 190 . 19 1 1 A 18 18 PRO HA H 60 4.458 4.606 -0.148 1 1 197 . 19 1 1 A 18 18 PRO C C 60 176.892 175.251 1.641 1 1 198 . 19 1 1 A 18 18 PRO CA C 60 62.940 62.393 0.547 1 1 199 . 19 1 1 A 18 18 PRO CB C 60 32.891 33.014 -0.123 1 1 202 . 19 1 1 A 19 19 GLU H H 61 8.480 8.506 -0.026 1 1 203 . 19 1 1 A 19 19 GLU HA H 61 4.391 4.923 -0.532 1 1 208 . 19 1 1 A 19 19 GLU C C 61 176.174 175.425 0.749 1 1 209 . 19 1 1 A 19 19 GLU CA C 61 54.922 55.514 -0.592 1 1 210 . 19 1 1 A 19 19 GLU CB C 61 29.141 31.682 -2.541 1 1 212 . 19 1 1 A 19 19 GLU N N 61 120.840 120.140 0.700 1 1 213 . 19 1 1 A 20 20 LYS H H 62 8.502 8.697 -0.195 1 1 214 . 19 1 1 A 20 20 LYS HA H 62 4.620 4.796 -0.176 1 1 223 . 19 1 1 A 20 20 LYS C C 62 171.420 173.894 -2.474 1 1 224 . 19 1 1 A 20 20 LYS CA C 62 54.827 53.166 1.661 1 1 225 . 19 1 1 A 20 20 LYS CB C 62 32.422 33.672 -1.250 1 1 229 . 19 1 1 A 20 20 LYS N N 62 125.117 124.291 0.826 1 1 230 . 19 1 1 A 21 21 PRO HA H 63 4.448 4.535 -0.087 1 1 237 . 19 1 1 A 21 21 PRO CA C 63 62.261 62.561 -0.300 1 1 238 . 19 1 1 A 21 21 PRO CB C 63 32.422 32.034 0.388 1 1 241 . 19 1 1 A 22 22 VAL H H 64 8.570 8.623 -0.053 1 1 242 . 19 1 1 A 22 22 VAL HA H 64 4.097 4.436 -0.339 1 1 250 . 19 1 1 A 22 22 VAL C C 64 173.862 174.506 -0.644 1 1 251 . 19 1 1 A 22 22 VAL CA C 64 61.000 61.974 -0.974 1 1 252 . 19 1 1 A 22 22 VAL CB C 64 33.770 31.773 1.997 1 1 255 . 19 1 1 A 22 22 VAL N N 64 120.453 122.345 -1.892 1 1 256 . 19 1 1 A 23 23 TYR H H 65 8.600 9.096 -0.496 1 1 257 . 19 1 1 A 23 23 TYR HA H 65 5.207 5.435 -0.228 1 1 264 . 19 1 1 A 23 23 TYR C C 65 174.916 173.999 0.917 1 1 265 . 19 1 1 A 23 23 TYR CA C 65 57.210 56.074 1.136 1 1 266 . 19 1 1 A 23 23 TYR CB C 65 39.454 41.901 -2.447 1 1 267 . 19 1 1 A 23 23 TYR N N 65 124.580 128.932 -4.352 1 1 268 . 19 1 1 A 24 24 LEU H H 66 9.186 9.146 0.040 1 1 269 . 19 1 1 A 24 24 LEU HA H 66 5.261 5.140 0.121 1 1 279 . 19 1 1 A 24 24 LEU C C 66 175.491 176.042 -0.551 1 1 280 . 19 1 1 A 24 24 LEU CA C 66 53.516 53.828 -0.312 1 1 281 . 19 1 1 A 24 24 LEU CB C 66 45.078 43.995 1.083 1 1 285 . 19 1 1 A 24 24 LEU N N 66 128.669 128.226 0.443 1 1 286 . 19 1 1 A 25 25 SER H H 67 9.300 8.932 0.368 1 1 287 . 19 1 1 A 25 25 SER HA H 67 5.637 5.385 0.252 1 1 290 . 19 1 1 A 25 25 SER C C 67 173.470 173.438 0.032 1 1 291 . 19 1 1 A 25 25 SER CA C 67 56.784 57.752 -0.968 1 1 292 . 19 1 1 A 25 25 SER CB C 67 65.267 65.125 0.142 1 1 293 . 19 1 1 A 25 25 SER N N 67 120.290 120.766 -0.476 1 1 294 . 19 1 1 A 26 26 VAL H H 68 8.600 8.808 -0.208 1 1 295 . 19 1 1 A 26 26 VAL HA H 68 4.847 5.198 -0.351 1 1 303 . 19 1 1 A 26 26 VAL C C 68 175.205 174.863 0.342 1 1 304 . 19 1 1 A 26 26 VAL CA C 68 60.950 60.400 0.550 1 1 305 . 19 1 1 A 26 26 VAL CB C 68 33.770 34.428 -0.658 1 1 308 . 19 1 1 A 26 26 VAL N N 68 123.723 123.698 0.025 1 1 309 . 19 1 1 A 27 27 LYS H H 69 8.760 8.627 0.133 1 1 310 . 19 1 1 A 27 27 LYS HA H 69 4.630 4.863 -0.233 1 1 319 . 19 1 1 A 27 27 LYS C C 69 176.007 176.447 -0.440 1 1 320 . 19 1 1 A 27 27 LYS CA C 69 62.400 54.194 8.206 1 1 321 . 19 1 1 A 27 27 LYS CB C 69 33.820 35.948 -2.128 1 1 325 . 19 1 1 A 27 27 LYS N N 69 126.000 123.689 2.311 1 1 326 . 19 1 1 A 28 28 ALA H H 70 8.728 8.708 0.020 1 1 327 . 19 1 1 A 28 28 ALA HA H 70 4.018 3.888 0.130 1 1 331 . 19 1 1 A 28 28 ALA C C 70 177.852 176.582 1.270 1 1 332 . 19 1 1 A 28 28 ALA CA C 70 53.985 54.826 -0.841 1 1 333 . 19 1 1 A 28 28 ALA CB C 70 19.297 17.955 1.342 1 1 334 . 19 1 1 A 28 28 ALA N N 70 124.480 120.800 3.680 1 1 335 . 19 1 1 A 29 29 ASP H H 71 8.256 8.523 -0.267 1 1 336 . 19 1 1 A 29 29 ASP HA H 71 4.497 4.922 -0.425 1 1 339 . 19 1 1 A 29 29 ASP C C 71 176.455 175.797 0.658 1 1 340 . 19 1 1 A 29 29 ASP CA C 71 53.985 55.460 -1.475 1 1 341 . 19 1 1 A 29 29 ASP CB C 71 39.315 43.911 -4.596 1 1 342 . 19 1 1 A 29 29 ASP N N 71 118.722 115.963 2.759 1 1 343 . 19 1 1 A 30 30 ASN H H 72 8.380 7.847 0.533 1 1 344 . 19 1 1 A 30 30 ASN HA H 72 4.374 4.941 -0.567 1 1 349 . 19 1 1 A 30 30 ASN C C 72 174.641 173.906 0.735 1 1 350 . 19 1 1 A 30 30 ASN CA C 72 54.453 52.370 2.083 1 1 351 . 19 1 1 A 30 30 ASN CB C 72 37.579 39.380 -1.801 1 1 352 . 19 1 1 A 30 30 ASN N N 72 113.000 117.261 -4.261 1 1 353 . 19 1 1 A 31 31 SER H H 73 7.710 7.587 0.123 1 1 354 . 19 1 1 A 31 31 SER HA H 73 4.404 5.106 -0.702 1 1 357 . 19 1 1 A 31 31 SER C C 73 172.527 173.626 -1.099 1 1 358 . 19 1 1 A 31 31 SER CA C 73 58.672 56.757 1.915 1 1 359 . 19 1 1 A 31 31 SER CB C 73 63.303 64.534 -1.231 1 1 360 . 19 1 1 A 31 31 SER N N 73 115.080 113.287 1.793 1 1 361 . 19 1 1 A 32 32 MET H H 74 8.065 8.764 -0.699 1 1 362 . 19 1 1 A 32 32 MET HA H 74 5.573 5.350 0.223 1 1 370 . 19 1 1 A 32 32 MET C C 74 174.974 175.847 -0.873 1 1 371 . 19 1 1 A 32 32 MET CA C 74 54.397 54.190 0.207 1 1 372 . 19 1 1 A 32 32 MET CB C 74 37.579 32.807 4.772 1 1 375 . 19 1 1 A 32 32 MET N N 74 121.780 125.384 -3.604 1 1 376 . 19 1 1 A 33 33 PHE H H 75 8.900 9.190 -0.290 1 1 377 . 19 1 1 A 33 33 PHE HA H 75 5.190 4.919 0.271 1 1 384 . 19 1 1 A 33 33 PHE C C 75 175.228 174.483 0.745 1 1 385 . 19 1 1 A 33 33 PHE CA C 75 56.797 57.663 -0.866 1 1 386 . 19 1 1 A 33 33 PHE CB C 75 44.141 40.685 3.456 1 1 387 . 19 1 1 A 33 33 PHE N N 75 118.800 123.319 -4.519 1 1 388 . 19 1 1 A 34 34 ILE H H 76 8.830 8.433 0.397 1 1 389 . 19 1 1 A 34 34 ILE HA H 76 4.851 4.489 0.362 1 1 399 . 19 1 1 A 34 34 ILE C C 76 177.606 176.698 0.908 1 1 400 . 19 1 1 A 34 34 ILE CA C 76 59.610 60.975 -1.365 1 1 401 . 19 1 1 A 34 34 ILE CB C 76 37.990 38.122 -0.132 1 1 405 . 19 1 1 A 34 34 ILE N N 76 121.330 128.368 -7.038 1 1 406 . 19 1 1 A 35 35 GLY H H 77 9.177 8.722 0.455 1 1 407 . 19 1 1 A 35 35 GLY HA2 H 77 4.139 3.831 0.308 1 1 408 . 19 1 1 A 35 35 GLY HA3 H 77 3.742 3.835 -0.093 1 1 409 . 19 1 1 A 35 35 GLY C C 77 174.757 175.141 -0.384 1 1 410 . 19 1 1 A 35 35 GLY CA C 77 47.422 46.777 0.645 1 1 411 . 19 1 1 A 35 35 GLY N N 77 118.894 111.812 7.082 1 1 412 . 19 1 1 A 36 36 ASN H H 78 9.170 8.932 0.238 1 1 413 . 19 1 1 A 36 36 ASN HA H 78 4.846 4.370 0.476 1 1 416 . 19 1 1 A 36 36 ASN C C 78 174.867 174.125 0.742 1 1 417 . 19 1 1 A 36 36 ASN CA C 78 52.578 55.069 -2.491 1 1 418 . 19 1 1 A 36 36 ASN CB C 78 38.985 37.972 1.013 1 1 419 . 19 1 1 A 36 36 ASN N N 78 125.494 122.473 3.021 1 1 420 . 19 1 1 A 37 37 ASP H H 79 8.590 8.391 0.199 1 1 421 . 19 1 1 A 37 37 ASP HA H 79 5.330 5.129 0.201 1 1 424 . 19 1 1 A 37 37 ASP C C 79 173.009 172.972 0.037 1 1 425 . 19 1 1 A 37 37 ASP CA C 79 51.172 51.532 -0.360 1 1 426 . 19 1 1 A 37 37 ASP CB C 79 39.922 41.623 -1.701 1 1 427 . 19 1 1 A 37 37 ASP N N 79 121.409 117.454 3.955 1 1 428 . 19 1 1 A 38 38 PRO HA H 80 4.320 4.472 -0.152 1 1 435 . 19 1 1 A 38 38 PRO C C 80 176.862 176.253 0.609 1 1 436 . 19 1 1 A 38 38 PRO CA C 80 62.422 62.402 0.020 1 1 437 . 19 1 1 A 38 38 PRO CB C 80 32.890 31.665 1.225 1 1 440 . 19 1 1 A 39 39 VAL H H 81 8.001 8.010 -0.009 1 1 441 . 19 1 1 A 39 39 VAL HA H 81 4.522 4.959 -0.437 1 1 449 . 19 1 1 A 39 39 VAL C C 81 173.912 173.814 0.098 1 1 450 . 19 1 1 A 39 39 VAL CA C 81 59.141 59.376 -0.235 1 1 451 . 19 1 1 A 39 39 VAL CB C 81 36.172 36.549 -0.377 1 1 454 . 19 1 1 A 39 39 VAL N N 81 115.450 116.642 -1.192 1 1 455 . 19 1 1 A 40 40 THR H H 82 7.672 8.393 -0.721 1 1 456 . 19 1 1 A 40 40 THR HA H 82 4.746 4.622 0.124 1 1 461 . 19 1 1 A 40 40 THR C C 82 175.692 174.601 1.091 1 1 462 . 19 1 1 A 40 40 THR CA C 82 59.121 60.532 -1.411 1 1 463 . 19 1 1 A 40 40 THR CB C 82 72.735 72.505 0.230 1 1 465 . 19 1 1 A 40 40 THR N N 82 110.320 115.644 -5.324 1 1 466 . 19 1 1 A 41 41 ASP H H 83 9.370 8.988 0.382 1 1 467 . 19 1 1 A 41 41 ASP HA H 83 4.314 4.435 -0.121 1 1 470 . 19 1 1 A 41 41 ASP C C 83 176.943 177.175 -0.232 1 1 471 . 19 1 1 A 41 41 ASP CA C 83 56.797 56.379 0.418 1 1 472 . 19 1 1 A 41 41 ASP CB C 83 38.047 40.879 -2.832 1 1 473 . 19 1 1 A 41 41 ASP N N 83 118.710 124.138 -5.428 1 1 474 . 19 1 1 A 42 42 GLU H H 84 8.228 8.047 0.181 1 1 475 . 19 1 1 A 42 42 GLU HA H 84 4.336 4.203 0.133 1 1 480 . 19 1 1 A 42 42 GLU C C 84 177.827 177.957 -0.130 1 1 481 . 19 1 1 A 42 42 GLU CA C 84 58.204 58.355 -0.151 1 1 482 . 19 1 1 A 42 42 GLU CB C 84 29.141 30.259 -1.118 1 1 484 . 19 1 1 A 42 42 GLU N N 84 115.213 119.615 -4.402 1 1 485 . 19 1 1 A 43 43 THR H H 85 7.510 7.898 -0.388 1 1 486 . 19 1 1 A 43 43 THR HA H 85 4.664 4.655 0.009 1 1 491 . 19 1 1 A 43 43 THR C C 85 175.799 175.401 0.398 1 1 492 . 19 1 1 A 43 43 THR CA C 85 61.395 61.436 -0.041 1 1 493 . 19 1 1 A 43 43 THR CB C 85 70.391 69.172 1.219 1 1 495 . 19 1 1 A 43 43 THR N N 85 108.315 113.495 -5.180 1 1 496 . 19 1 1 A 44 44 MET H H 86 7.900 7.929 -0.029 1 1 497 . 19 1 1 A 44 44 MET HA H 86 3.820 4.233 -0.413 1 1 505 . 19 1 1 A 44 44 MET C C 86 176.605 178.156 -1.551 1 1 506 . 19 1 1 A 44 44 MET CA C 86 60.547 58.029 2.518 1 1 507 . 19 1 1 A 44 44 MET CB C 86 32.422 32.451 -0.029 1 1 510 . 19 1 1 A 44 44 MET N N 86 121.500 120.241 1.259 1 1 511 . 19 1 1 A 45 45 ILE H H 87 8.430 7.804 0.626 1 1 512 . 19 1 1 A 45 45 ILE HA H 87 3.686 3.882 -0.196 1 1 522 . 19 1 1 A 45 45 ILE C C 87 177.773 178.010 -0.237 1 1 523 . 19 1 1 A 45 45 ILE CA C 87 62.934 64.132 -1.198 1 1 524 . 19 1 1 A 45 45 ILE CB C 87 34.766 37.985 -3.219 1 1 528 . 19 1 1 A 45 45 ILE N N 87 117.970 120.287 -2.317 1 1 529 . 19 1 1 A 46 46 THR H H 88 8.070 8.173 -0.103 1 1 530 . 19 1 1 A 46 46 THR HA H 88 3.953 4.047 -0.094 1 1 535 . 19 1 1 A 46 46 THR C C 88 177.011 177.093 -0.082 1 1 536 . 19 1 1 A 46 46 THR CA C 88 66.640 65.440 1.200 1 1 537 . 19 1 1 A 46 46 THR CB C 88 68.000 68.159 -0.159 1 1 539 . 19 1 1 A 46 46 THR N N 88 116.920 112.769 4.151 1 1 540 . 19 1 1 A 47 47 ALA H H 89 7.710 7.924 -0.214 1 1 541 . 19 1 1 A 47 47 ALA HA H 89 4.240 4.130 0.110 1 1 545 . 19 1 1 A 47 47 ALA C C 89 174.356 179.653 -5.297 1 1 546 . 19 1 1 A 47 47 ALA CA C 89 55.094 55.207 -0.113 1 1 547 . 19 1 1 A 47 47 ALA CB C 89 18.828 18.678 0.150 1 1 548 . 19 1 1 A 47 47 ALA N N 89 123.490 125.060 -1.570 1 1 549 . 19 1 1 A 48 48 LEU H H 90 8.570 8.078 0.492 1 1 550 . 19 1 1 A 48 48 LEU HA H 90 3.445 3.979 -0.534 1 1 560 . 19 1 1 A 48 48 LEU C C 90 178.088 179.236 -1.148 1 1 561 . 19 1 1 A 48 48 LEU CA C 90 67.110 58.241 8.869 1 1 562 . 19 1 1 A 48 48 LEU CB C 90 31.420 42.099 -10.679 1 1 566 . 19 1 1 A 48 48 LEU N N 90 119.800 118.326 1.474 1 1 567 . 19 1 1 A 49 49 ASN H H 91 8.979 8.862 0.117 1 1 568 . 19 1 1 A 49 49 ASN HA H 91 4.494 4.524 -0.030 1 1 571 . 19 1 1 A 49 49 ASN C C 91 178.227 177.984 0.243 1 1 572 . 19 1 1 A 49 49 ASN CA C 91 54.397 56.477 -2.080 1 1 573 . 19 1 1 A 49 49 ASN CB C 91 37.578 38.902 -1.324 1 1 574 . 19 1 1 A 49 49 ASN N N 91 117.500 116.994 0.506 1 1 575 . 19 1 1 A 50 50 ALA H H 92 7.710 7.638 0.072 1 1 576 . 19 1 1 A 50 50 ALA HA H 92 4.232 4.063 0.169 1 1 580 . 19 1 1 A 50 50 ALA C C 92 180.155 179.879 0.276 1 1 581 . 19 1 1 A 50 50 ALA CA C 92 54.886 55.203 -0.317 1 1 582 . 19 1 1 A 50 50 ALA CB C 92 17.962 18.829 -0.867 1 1 583 . 19 1 1 A 50 50 ALA N N 92 120.900 122.383 -1.483 1 1 584 . 19 1 1 A 51 51 LEU H H 93 7.670 8.201 -0.531 1 1 585 . 19 1 1 A 51 51 LEU HA H 93 4.340 3.941 0.399 1 1 595 . 19 1 1 A 51 51 LEU C C 93 179.407 179.478 -0.071 1 1 596 . 19 1 1 A 51 51 LEU CA C 93 56.829 57.923 -1.094 1 1 597 . 19 1 1 A 51 51 LEU CB C 93 42.734 42.559 0.175 1 1 601 . 19 1 1 A 51 51 LEU N N 93 117.980 118.036 -0.056 1 1 602 . 19 1 1 A 52 52 THR H H 94 8.530 8.204 0.326 1 1 603 . 19 1 1 A 52 52 THR HA H 94 4.437 4.216 0.221 1 1 608 . 19 1 1 A 52 52 THR C C 94 177.112 175.001 2.111 1 1 609 . 19 1 1 A 52 52 THR CA C 94 61.485 63.783 -2.298 1 1 610 . 19 1 1 A 52 52 THR CB C 94 70.860 70.090 0.770 1 1 612 . 19 1 1 A 52 52 THR N N 94 107.010 109.117 -2.107 1 1 613 . 19 1 1 A 53 53 GLU H H 95 8.001 8.045 -0.044 1 1 614 . 19 1 1 A 53 53 GLU HA H 95 4.062 4.180 -0.118 1 1 619 . 19 1 1 A 53 53 GLU C C 95 176.199 175.827 0.372 1 1 620 . 19 1 1 A 53 53 GLU CA C 95 56.797 57.412 -0.615 1 1 621 . 19 1 1 A 53 53 GLU CB C 95 26.346 28.633 -2.287 1 1 623 . 19 1 1 A 53 53 GLU N N 95 117.560 121.181 -3.621 1 1 624 . 19 1 1 A 54 54 GLY H H 96 8.349 8.633 -0.284 1 1 625 . 19 1 1 A 54 54 GLY HA2 H 96 4.120 3.859 0.261 1 1 626 . 19 1 1 A 54 54 GLY HA3 H 96 3.520 3.871 -0.351 1 1 627 . 19 1 1 A 54 54 GLY C C 96 174.264 173.982 0.282 1 1 628 . 19 1 1 A 54 54 GLY CA C 96 44.600 46.681 -2.081 1 1 629 . 19 1 1 A 54 54 GLY N N 96 105.347 105.248 0.099 1 1 630 . 19 1 1 A 55 55 LYS H H 97 7.400 7.567 -0.167 1 1 631 . 19 1 1 A 55 55 LYS HA H 97 4.386 4.455 -0.069 1 1 640 . 19 1 1 A 55 55 LYS C C 97 177.395 175.898 1.497 1 1 641 . 19 1 1 A 55 55 LYS CA C 97 56.797 55.252 1.545 1 1 642 . 19 1 1 A 55 55 LYS CB C 97 30.522 33.095 -2.573 1 1 646 . 19 1 1 A 55 55 LYS N N 97 120.080 120.279 -0.199 1 1 647 . 19 1 1 A 56 56 LYS H H 98 8.510 8.648 -0.138 1 1 648 . 19 1 1 A 56 56 LYS HA H 98 3.940 4.335 -0.395 1 1 657 . 19 1 1 A 56 56 LYS C C 98 176.420 178.147 -1.727 1 1 658 . 19 1 1 A 56 56 LYS CA C 98 56.741 57.734 -0.993 1 1 659 . 19 1 1 A 56 56 LYS CB C 98 30.079 32.183 -2.104 1 1 663 . 19 1 1 A 56 56 LYS N N 98 126.202 125.156 1.046 1 1 664 . 19 1 1 A 57 57 ASP H H 99 8.510 8.168 0.342 1 1 665 . 19 1 1 A 57 57 ASP HA H 99 4.570 4.368 0.202 1 1 668 . 19 1 1 A 57 57 ASP C C 99 174.777 177.704 -2.927 1 1 669 . 19 1 1 A 57 57 ASP CA C 99 52.991 57.605 -4.614 1 1 670 . 19 1 1 A 57 57 ASP CB C 99 38.516 40.669 -2.153 1 1 671 . 19 1 1 A 57 57 ASP N N 99 116.900 119.452 -2.552 1 1 672 . 19 1 1 A 58 58 THR H H 100 7.400 7.718 -0.318 1 1 673 . 19 1 1 A 58 58 THR HA H 100 3.971 4.217 -0.246 1 1 678 . 19 1 1 A 58 58 THR C C 100 172.742 174.466 -1.724 1 1 679 . 19 1 1 A 58 58 THR CA C 100 63.360 64.241 -0.881 1 1 680 . 19 1 1 A 58 58 THR CB C 100 70.391 69.368 1.023 1 1 682 . 19 1 1 A 58 58 THR N N 100 117.350 114.674 2.676 1 1 683 . 19 1 1 A 59 59 THR H H 101 8.414 8.742 -0.328 1 1 684 . 19 1 1 A 59 59 THR HA H 101 4.174 4.518 -0.344 1 1 689 . 19 1 1 A 59 59 THR C C 101 172.505 174.290 -1.785 1 1 690 . 19 1 1 A 59 59 THR CA C 101 63.829 63.795 0.034 1 1 691 . 19 1 1 A 59 59 THR CB C 101 69.454 68.574 0.880 1 1 693 . 19 1 1 A 59 59 THR N N 101 123.260 122.510 0.750 1 1 694 . 19 1 1 A 60 60 ILE H H 102 8.190 8.886 -0.696 1 1 695 . 19 1 1 A 60 60 ILE HA H 102 4.399 5.011 -0.612 1 1 705 . 19 1 1 A 60 60 ILE C C 102 175.119 175.548 -0.429 1 1 706 . 19 1 1 A 60 60 ILE CA C 102 58.204 60.092 -1.888 1 1 707 . 19 1 1 A 60 60 ILE CB C 102 38.047 38.382 -0.335 1 1 711 . 19 1 1 A 60 60 ILE N N 102 126.467 128.599 -2.132 1 1 712 . 19 1 1 A 61 61 PHE H H 103 8.900 8.927 -0.027 1 1 713 . 19 1 1 A 61 61 PHE HA H 103 5.204 5.133 0.071 1 1 720 . 19 1 1 A 61 61 PHE C C 103 174.877 174.915 -0.038 1 1 721 . 19 1 1 A 61 61 PHE CA C 103 57.266 56.718 0.548 1 1 722 . 19 1 1 A 61 61 PHE CB C 103 40.860 39.352 1.508 1 1 723 . 19 1 1 A 61 61 PHE N N 103 125.650 126.875 -1.225 1 1 724 . 19 1 1 A 62 62 PHE H H 104 9.110 9.003 0.107 1 1 725 . 19 1 1 A 62 62 PHE HA H 104 5.590 4.931 0.659 1 1 732 . 19 1 1 A 62 62 PHE C C 104 174.407 173.907 0.500 1 1 733 . 19 1 1 A 62 62 PHE CA C 104 54.922 56.949 -2.027 1 1 734 . 19 1 1 A 62 62 PHE CB C 104 41.300 39.869 1.431 1 1 735 . 19 1 1 A 62 62 PHE N N 104 123.447 124.705 -1.258 1 1 736 . 19 1 1 A 63 63 ARG H H 105 9.020 8.643 0.377 1 1 737 . 19 1 1 A 63 63 ARG HA H 105 4.830 4.988 -0.158 1 1 744 . 19 1 1 A 63 63 ARG C C 105 173.862 174.971 -1.109 1 1 745 . 19 1 1 A 63 63 ARG CA C 105 54.453 54.575 -0.122 1 1 746 . 19 1 1 A 63 63 ARG CB C 105 32.422 32.136 0.286 1 1 749 . 19 1 1 A 63 63 ARG N N 105 126.020 128.865 -2.845 1 1 750 . 19 1 1 A 64 64 ALA H H 106 8.640 8.707 -0.067 1 1 751 . 19 1 1 A 64 64 ALA HA H 106 5.223 5.124 0.099 1 1 755 . 19 1 1 A 64 64 ALA C C 106 176.565 176.061 0.504 1 1 756 . 19 1 1 A 64 64 ALA CA C 106 50.235 49.967 0.268 1 1 757 . 19 1 1 A 64 64 ALA CB C 106 22.110 22.768 -0.658 1 1 758 . 19 1 1 A 64 64 ALA N N 106 126.540 128.300 -1.760 1 1 759 . 19 1 1 A 65 65 ASP H H 107 7.900 8.202 -0.302 1 1 760 . 19 1 1 A 65 65 ASP HA H 107 4.685 4.612 0.073 1 1 763 . 19 1 1 A 65 65 ASP C C 107 176.987 177.659 -0.672 1 1 764 . 19 1 1 A 65 65 ASP CA C 107 54.453 54.239 0.214 1 1 765 . 19 1 1 A 65 65 ASP CB C 107 42.209 41.597 0.612 1 1 766 . 19 1 1 A 65 65 ASP N N 107 121.600 117.986 3.614 1 1 767 . 19 1 1 A 66 66 LYS H H 108 8.700 8.801 -0.101 1 1 768 . 19 1 1 A 66 66 LYS HA H 108 4.221 4.073 0.148 1 1 777 . 19 1 1 A 66 66 LYS C C 108 177.007 176.765 0.242 1 1 778 . 19 1 1 A 66 66 LYS CA C 108 58.682 58.374 0.308 1 1 779 . 19 1 1 A 66 66 LYS CB C 108 32.422 31.790 0.632 1 1 783 . 19 1 1 A 66 66 LYS N N 108 120.740 118.395 2.345 1 1 784 . 19 1 1 A 67 67 THR H H 109 8.035 7.611 0.424 1 1 785 . 19 1 1 A 67 67 THR HA H 109 4.270 4.522 -0.252 1 1 790 . 19 1 1 A 67 67 THR C C 109 175.031 174.763 0.268 1 1 791 . 19 1 1 A 67 67 THR CA C 109 62.422 61.244 1.178 1 1 792 . 19 1 1 A 67 67 THR CB C 109 68.985 68.850 0.135 1 1 794 . 19 1 1 A 67 67 THR N N 109 108.086 109.173 -1.087 1 1 795 . 19 1 1 A 68 68 VAL H H 110 7.470 7.112 0.358 1 1 796 . 19 1 1 A 68 68 VAL HA H 110 3.960 3.927 0.033 1 1 804 . 19 1 1 A 68 68 VAL C C 110 175.691 175.228 0.463 1 1 805 . 19 1 1 A 68 68 VAL CA C 110 63.360 63.480 -0.120 1 1 806 . 19 1 1 A 68 68 VAL CB C 110 32.422 31.957 0.465 1 1 809 . 19 1 1 A 68 68 VAL N N 110 123.270 123.704 -0.434 1 1 810 . 19 1 1 A 69 69 ASP H H 111 8.710 8.381 0.329 1 1 811 . 19 1 1 A 69 69 ASP HA H 111 4.645 5.098 -0.453 1 1 814 . 19 1 1 A 69 69 ASP C C 111 176.150 176.150 0.000 1 1 815 . 19 1 1 A 69 69 ASP CA C 111 53.989 52.776 1.213 1 1 816 . 19 1 1 A 69 69 ASP CB C 111 41.328 43.174 -1.846 1 1 817 . 19 1 1 A 69 69 ASP N N 111 126.170 126.848 -0.678 1 1 818 . 19 1 1 A 70 70 TYR H H 112 8.840 9.322 -0.482 1 1 819 . 19 1 1 A 70 70 TYR HA H 112 4.056 4.113 -0.057 1 1 826 . 19 1 1 A 70 70 TYR C C 112 177.075 177.768 -0.693 1 1 827 . 19 1 1 A 70 70 TYR CA C 112 61.890 62.453 -0.563 1 1 828 . 19 1 1 A 70 70 TYR CB C 112 38.980 39.068 -0.088 1 1 829 . 19 1 1 A 70 70 TYR N N 112 123.360 125.633 -2.273 1 1 830 . 19 1 1 A 71 71 GLU H H 113 8.550 8.140 0.410 1 1 831 . 19 1 1 A 71 71 GLU HA H 113 3.904 3.857 0.047 1 1 836 . 19 1 1 A 71 71 GLU C C 113 179.338 179.018 0.320 1 1 837 . 19 1 1 A 71 71 GLU CA C 113 59.610 58.901 0.709 1 1 838 . 19 1 1 A 71 71 GLU CB C 113 27.765 29.232 -1.467 1 1 840 . 19 1 1 A 71 71 GLU N N 113 116.730 119.043 -2.313 1 1 841 . 19 1 1 A 72 72 THR H H 114 7.780 7.806 -0.026 1 1 842 . 19 1 1 A 72 72 THR HA H 114 4.320 4.011 0.309 1 1 847 . 19 1 1 A 72 72 THR C C 114 175.987 176.653 -0.666 1 1 848 . 19 1 1 A 72 72 THR CA C 114 67.579 66.989 0.590 1 1 849 . 19 1 1 A 72 72 THR CB C 114 66.640 68.876 -2.236 1 1 851 . 19 1 1 A 72 72 THR N N 114 117.340 116.773 0.567 1 1 852 . 19 1 1 A 73 73 LEU H H 115 7.570 8.091 -0.521 1 1 853 . 19 1 1 A 73 73 LEU HA H 115 3.838 4.017 -0.179 1 1 863 . 19 1 1 A 73 73 LEU C C 115 178.670 178.407 0.263 1 1 864 . 19 1 1 A 73 73 LEU CA C 115 58.203 57.813 0.390 1 1 865 . 19 1 1 A 73 73 LEU CB C 115 40.860 41.267 -0.407 1 1 868 . 19 1 1 A 73 73 LEU N N 115 120.510 118.718 1.792 1 1 869 . 19 1 1 A 74 74 MET H H 116 8.280 7.652 0.628 1 1 870 . 19 1 1 A 74 74 MET HA H 116 4.100 4.146 -0.046 1 1 878 . 19 1 1 A 74 74 MET C C 116 178.503 178.092 0.411 1 1 879 . 19 1 1 A 74 74 MET CA C 116 57.210 58.005 -0.795 1 1 880 . 19 1 1 A 74 74 MET CB C 116 32.400 32.128 0.272 1 1 883 . 19 1 1 A 74 74 MET N N 116 116.240 118.802 -2.562 1 1 884 . 19 1 1 A 75 75 LYS H H 117 7.755 7.560 0.195 1 1 885 . 19 1 1 A 75 75 LYS HA H 117 4.146 4.004 0.142 1 1 894 . 19 1 1 A 75 75 LYS C C 117 173.559 179.422 -5.863 1 1 895 . 19 1 1 A 75 75 LYS CA C 117 59.610 59.300 0.310 1 1 896 . 19 1 1 A 75 75 LYS CB C 117 31.495 32.413 -0.918 1 1 900 . 19 1 1 A 75 75 LYS N N 117 120.230 119.284 0.946 1 1 901 . 19 1 1 A 76 76 VAL H H 118 7.880 7.648 0.232 1 1 902 . 19 1 1 A 76 76 VAL HA H 118 3.598 3.846 -0.248 1 1 910 . 19 1 1 A 76 76 VAL C C 118 178.205 177.984 0.221 1 1 911 . 19 1 1 A 76 76 VAL CA C 118 66.641 65.134 1.507 1 1 912 . 19 1 1 A 76 76 VAL CB C 118 31.485 31.528 -0.043 1 1 915 . 19 1 1 A 76 76 VAL N N 118 120.500 115.438 5.062 1 1 916 . 19 1 1 A 77 77 MET H H 119 8.262 8.089 0.173 1 1 917 . 19 1 1 A 77 77 MET HA H 119 3.904 4.033 -0.129 1 1 925 . 19 1 1 A 77 77 MET C C 119 178.200 177.830 0.370 1 1 926 . 19 1 1 A 77 77 MET CA C 119 59.610 58.178 1.432 1 1 927 . 19 1 1 A 77 77 MET CB C 119 32.422 31.685 0.737 1 1 930 . 19 1 1 A 77 77 MET N N 119 118.320 120.176 -1.856 1 1 931 . 19 1 1 A 78 78 ASP H H 120 8.720 7.700 1.020 1 1 932 . 19 1 1 A 78 78 ASP HA H 120 4.400 4.257 0.143 1 1 935 . 19 1 1 A 78 78 ASP C C 120 178.216 178.663 -0.447 1 1 936 . 19 1 1 A 78 78 ASP CA C 120 56.797 57.461 -0.664 1 1 937 . 19 1 1 A 78 78 ASP CB C 120 38.980 41.002 -2.022 1 1 938 . 19 1 1 A 78 78 ASP N N 120 117.800 119.556 -1.756 1 1 939 . 19 1 1 A 79 79 THR H H 121 8.040 7.720 0.320 1 1 940 . 19 1 1 A 79 79 THR HA H 121 3.939 3.926 0.013 1 1 945 . 19 1 1 A 79 79 THR C C 121 176.582 177.304 -0.722 1 1 946 . 19 1 1 A 79 79 THR CA C 121 66.641 67.382 -0.741 1 1 947 . 19 1 1 A 79 79 THR CB C 121 68.516 68.720 -0.204 1 1 949 . 19 1 1 A 79 79 THR N N 121 118.470 116.365 2.105 1 1 950 . 19 1 1 A 80 80 LEU H H 122 7.931 7.997 -0.066 1 1 951 . 19 1 1 A 80 80 LEU HA H 122 4.136 4.194 -0.058 1 1 961 . 19 1 1 A 80 80 LEU C C 122 178.936 179.133 -0.197 1 1 962 . 19 1 1 A 80 80 LEU CA C 122 58.672 57.885 0.787 1 1 963 . 19 1 1 A 80 80 LEU CB C 122 41.328 41.009 0.319 1 1 967 . 19 1 1 A 80 80 LEU N N 122 121.676 118.049 3.627 1 1 968 . 19 1 1 A 81 81 HIS H H 123 8.825 7.943 0.882 1 1 969 . 19 1 1 A 81 81 HIS HA H 123 4.455 4.254 0.201 1 1 974 . 19 1 1 A 81 81 HIS C C 123 179.780 178.379 1.401 1 1 975 . 19 1 1 A 81 81 HIS CA C 123 57.732 59.750 -2.018 1 1 976 . 19 1 1 A 81 81 HIS CB C 123 28.672 30.010 -1.338 1 1 977 . 19 1 1 A 81 81 HIS N N 123 117.910 118.310 -0.400 1 1 978 . 19 1 1 A 82 82 GLN H H 124 8.740 8.637 0.103 1 1 979 . 19 1 1 A 82 82 GLN HA H 124 4.092 4.109 -0.017 1 1 984 . 19 1 1 A 82 82 GLN C C 124 177.091 176.707 0.384 1 1 985 . 19 1 1 A 82 82 GLN CA C 124 58.672 58.141 0.531 1 1 986 . 19 1 1 A 82 82 GLN CB C 124 28.204 27.321 0.883 1 1 988 . 19 1 1 A 82 82 GLN N N 124 120.420 116.768 3.652 1 1 989 . 19 1 1 A 83 83 ALA H H 125 7.330 7.771 -0.441 1 1 990 . 19 1 1 A 83 83 ALA HA H 125 4.495 4.331 0.164 1 1 994 . 19 1 1 A 83 83 ALA C C 125 176.371 177.823 -1.452 1 1 995 . 19 1 1 A 83 83 ALA CA C 125 52.110 51.422 0.688 1 1 996 . 19 1 1 A 83 83 ALA CB C 125 19.756 18.436 1.320 1 1 997 . 19 1 1 A 83 83 ALA N N 125 119.130 121.429 -2.299 1 1 998 . 19 1 1 A 84 84 GLY H H 126 7.780 8.144 -0.364 1 1 999 . 19 1 1 A 84 84 GLY HA2 H 126 4.111 3.778 0.333 1 1 1000 . 19 1 1 A 84 84 GLY HA3 H 126 3.505 3.830 -0.325 1 1 1001 . 19 1 1 A 84 84 GLY C C 126 173.562 173.873 -0.311 1 1 1002 . 19 1 1 A 84 84 GLY CA C 126 44.610 46.815 -2.205 1 1 1003 . 19 1 1 A 84 84 GLY N N 126 104.120 107.713 -3.593 1 1 1004 . 19 1 1 A 85 85 TYR H H 127 7.910 8.313 -0.403 1 1 1005 . 19 1 1 A 85 85 TYR HA H 127 4.551 4.171 0.380 1 1 1012 . 19 1 1 A 85 85 TYR C C 127 177.192 175.953 1.239 1 1 1013 . 19 1 1 A 85 85 TYR CA C 127 59.610 58.035 1.575 1 1 1014 . 19 1 1 A 85 85 TYR CB C 127 37.110 36.581 0.529 1 1 1015 . 19 1 1 A 85 85 TYR N N 127 120.310 122.220 -1.910 1 1 1016 . 19 1 1 A 86 86 LEU H H 128 7.835 8.374 -0.539 1 1 1017 . 19 1 1 A 86 86 LEU HA H 128 4.357 4.683 -0.326 1 1 1027 . 19 1 1 A 86 86 LEU C C 128 178.503 175.976 2.527 1 1 1028 . 19 1 1 A 86 86 LEU CA C 128 54.456 54.317 0.139 1 1 1029 . 19 1 1 A 86 86 LEU CB C 128 43.203 42.513 0.690 1 1 1033 . 19 1 1 A 86 86 LEU N N 128 120.100 121.263 -1.163 1 1 1034 . 19 1 1 A 87 87 LYS H H 129 9.330 7.806 1.524 1 1 1035 . 19 1 1 A 87 87 LYS HA H 129 4.512 4.592 -0.080 1 1 1044 . 19 1 1 A 87 87 LYS C C 129 173.251 174.820 -1.569 1 1 1045 . 19 1 1 A 87 87 LYS CA C 129 54.922 55.452 -0.530 1 1 1046 . 19 1 1 A 87 87 LYS CB C 129 31.000 33.404 -2.404 1 1 1050 . 19 1 1 A 87 87 LYS N N 129 125.180 118.611 6.569 1 1 1051 . 19 1 1 A 88 88 ILE H H 130 7.589 8.358 -0.769 1 1 1052 . 19 1 1 A 88 88 ILE HA H 130 5.015 4.916 0.099 1 1 1062 . 19 1 1 A 88 88 ILE C C 130 176.481 175.691 0.790 1 1 1063 . 19 1 1 A 88 88 ILE CA C 130 58.672 59.580 -0.908 1 1 1064 . 19 1 1 A 88 88 ILE CB C 130 40.391 39.128 1.263 1 1 1068 . 19 1 1 A 88 88 ILE N N 130 122.487 125.435 -2.948 1 1 1069 . 19 1 1 A 89 89 GLY H H 131 8.960 8.704 0.256 1 1 1070 . 19 1 1 A 89 89 GLY HA2 H 131 4.543 2.714 1.829 1 1 1071 . 19 1 1 A 89 89 GLY HA3 H 131 3.488 3.616 -0.128 1 1 1072 . 19 1 1 A 89 89 GLY C C 131 171.936 172.080 -0.144 1 1 1073 . 19 1 1 A 89 89 GLY CA C 131 44.610 44.756 -0.146 1 1 1074 . 19 1 1 A 89 89 GLY N N 131 115.300 115.494 -0.194 1 1 1075 . 19 1 1 A 90 90 LEU H H 132 8.610 8.928 -0.318 1 1 1076 . 19 1 1 A 90 90 LEU HA H 132 5.061 4.767 0.294 1 1 1086 . 19 1 1 A 90 90 LEU C C 132 177.246 176.750 0.496 1 1 1087 . 19 1 1 A 90 90 LEU CA C 132 54.453 53.535 0.918 1 1 1088 . 19 1 1 A 90 90 LEU CB C 132 42.735 41.663 1.072 1 1 1092 . 19 1 1 A 90 90 LEU N N 132 124.560 124.453 0.107 1 1 1093 . 19 1 1 A 91 91 VAL H H 133 8.630 8.645 -0.015 1 1 1094 . 19 1 1 A 91 91 VAL HA H 133 4.299 4.091 0.208 1 1 1102 . 19 1 1 A 91 91 VAL C C 133 176.296 177.226 -0.930 1 1 1103 . 19 1 1 A 91 91 VAL CA C 133 61.953 63.738 -1.785 1 1 1104 . 19 1 1 A 91 91 VAL CB C 133 33.360 31.823 1.537 1 1 1107 . 19 1 1 A 91 91 VAL N N 133 123.280 125.969 -2.689 1 1 1108 . 19 1 1 A 92 92 GLY H H 134 8.620 9.169 -0.549 1 1 1109 . 19 1 1 A 92 92 GLY HA2 H 134 4.154 3.997 0.157 1 1 1110 . 19 1 1 A 92 92 GLY HA3 H 134 4.007 4.001 0.006 1 1 1111 . 19 1 1 A 92 92 GLY C C 134 174.157 174.806 -0.649 1 1 1112 . 19 1 1 A 92 92 GLY CA C 134 45.097 46.857 -1.760 1 1 1113 . 19 1 1 A 92 92 GLY N N 134 112.500 116.573 -4.073 1 1 1114 . 19 1 1 A 93 93 GLU H H 135 8.278 8.250 0.028 1 1 1115 . 19 1 1 A 93 93 GLU HA H 135 4.387 4.365 0.022 1 1 1120 . 19 1 1 A 93 93 GLU C C 135 176.500 175.582 0.918 1 1 1121 . 19 1 1 A 93 93 GLU CA C 135 56.797 55.328 1.469 1 1 1122 . 19 1 1 A 93 93 GLU CB C 135 29.141 27.986 1.155 1 1 1124 . 19 1 1 A 93 93 GLU N N 135 119.460 121.082 -1.622 1 1 1125 . 19 1 1 A 94 94 GLU H H 136 8.680 8.130 0.550 1 1 1126 . 19 1 1 A 94 94 GLU HA H 136 4.387 4.661 -0.274 1 1 1131 . 19 1 1 A 94 94 GLU C C 136 176.970 175.260 1.710 1 1 1132 . 19 1 1 A 94 94 GLU CA C 136 56.797 55.325 1.472 1 1 1133 . 19 1 1 A 94 94 GLU CB C 136 29.141 30.116 -0.975 1 1 1135 . 19 1 1 A 94 94 GLU N N 136 121.740 123.993 -2.253 1 1 1136 . 19 1 1 A 95 95 THR H H 137 8.221 8.531 -0.310 1 1 1137 . 19 1 1 A 95 95 THR HA H 137 4.228 4.689 -0.461 1 1 1142 . 19 1 1 A 95 95 THR C C 137 174.880 174.382 0.498 1 1 1143 . 19 1 1 A 95 95 THR CA C 137 62.422 63.016 -0.594 1 1 1144 . 19 1 1 A 95 95 THR CB C 137 69.454 69.505 -0.051 1 1 1146 . 19 1 1 A 95 95 THR N N 137 115.380 118.766 -3.386 1 1 1147 . 19 1 1 A 96 96 ALA H H 138 8.311 8.708 -0.397 1 1 1148 . 19 1 1 A 96 96 ALA HA H 138 4.233 4.982 -0.749 1 1 1152 . 19 1 1 A 96 96 ALA C C 138 178.469 175.595 2.874 1 1 1153 . 19 1 1 A 96 96 ALA CA C 138 53.516 51.941 1.575 1 1 1154 . 19 1 1 A 96 96 ALA CB C 138 18.828 21.254 -2.426 1 1 1155 . 19 1 1 A 96 96 ALA N N 138 125.688 126.973 -1.285 1 1 1156 . 19 1 1 A 97 97 LYS H H 139 8.210 8.654 -0.444 1 1 1157 . 19 1 1 A 97 97 LYS HA H 139 4.163 4.674 -0.511 1 1 1166 . 19 1 1 A 97 97 LYS C C 139 177.154 174.745 2.409 1 1 1167 . 19 1 1 A 97 97 LYS CA C 139 57.265 56.250 1.015 1 1 1168 . 19 1 1 A 97 97 LYS CB C 139 32.891 35.216 -2.325 1 1 1172 . 19 1 1 A 97 97 LYS N N 139 120.110 122.417 -2.307 1 1 1173 . 19 1 1 A 98 98 ALA H H 140 8.170 8.794 -0.624 1 1 1174 . 19 1 1 A 98 98 ALA HA H 140 4.209 5.061 -0.852 1 1 1178 . 19 1 1 A 98 98 ALA C C 140 178.469 175.690 2.779 1 1 1179 . 19 1 1 A 98 98 ALA CA C 140 53.516 50.947 2.569 1 1 1180 . 19 1 1 A 98 98 ALA CB C 140 18.828 23.659 -4.831 1 1 1181 . 19 1 1 A 98 98 ALA N N 140 124.210 126.914 -2.704 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 94 1.420 1 2 1 1 1 "RMS(OBS, PRED)" CA 97 1.700 1 3 1 1 1 "RMS(OBS, PRED)" CB 92 2.157 1 4 1 1 1 "RMS(OBS, PRED)" H 91 0.426 1 5 1 1 1 "RMS(OBS, PRED)" HA 102 0.385 1 6 1 1 1 "RMS(OBS, PRED)" N 91 2.843 1 7 1 2 1 "RMS(OBS, PRED)" C 94 1.427 1 8 1 2 1 "RMS(OBS, PRED)" CA 97 1.784 1 9 1 2 1 "RMS(OBS, PRED)" CB 92 1.900 1 10 1 2 1 "RMS(OBS, PRED)" H 91 0.473 1 11 1 2 1 "RMS(OBS, PRED)" HA 102 0.354 1 12 1 2 1 "RMS(OBS, PRED)" N 91 3.214 1 13 1 3 1 "RMS(OBS, PRED)" C 94 1.461 1 14 1 3 1 "RMS(OBS, PRED)" CA 97 1.788 1 15 1 3 1 "RMS(OBS, PRED)" CB 92 2.082 1 16 1 3 1 "RMS(OBS, PRED)" H 91 0.449 1 17 1 3 1 "RMS(OBS, PRED)" HA 102 0.369 1 18 1 3 1 "RMS(OBS, PRED)" N 91 2.844 1 19 1 4 1 "RMS(OBS, PRED)" C 94 1.432 1 20 1 4 1 "RMS(OBS, PRED)" CA 97 1.716 1 21 1 4 1 "RMS(OBS, PRED)" CB 92 2.098 1 22 1 4 1 "RMS(OBS, PRED)" H 91 0.442 1 23 1 4 1 "RMS(OBS, PRED)" HA 102 0.345 1 24 1 4 1 "RMS(OBS, PRED)" N 91 3.021 1 25 1 5 1 "RMS(OBS, PRED)" C 94 1.471 1 26 1 5 1 "RMS(OBS, PRED)" CA 97 1.761 1 27 1 5 1 "RMS(OBS, PRED)" CB 92 2.095 1 28 1 5 1 "RMS(OBS, PRED)" H 91 0.444 1 29 1 5 1 "RMS(OBS, PRED)" HA 102 0.338 1 30 1 5 1 "RMS(OBS, PRED)" N 91 2.999 1 31 1 6 1 "RMS(OBS, PRED)" C 94 1.496 1 32 1 6 1 "RMS(OBS, PRED)" CA 97 1.698 1 33 1 6 1 "RMS(OBS, PRED)" CB 92 2.074 1 34 1 6 1 "RMS(OBS, PRED)" H 91 0.411 1 35 1 6 1 "RMS(OBS, PRED)" HA 102 0.340 1 36 1 6 1 "RMS(OBS, PRED)" N 91 2.947 1 37 1 7 1 "RMS(OBS, PRED)" C 94 1.472 1 38 1 7 1 "RMS(OBS, PRED)" CA 97 1.655 1 39 1 7 1 "RMS(OBS, PRED)" CB 92 2.012 1 40 1 7 1 "RMS(OBS, PRED)" H 91 0.465 1 41 1 7 1 "RMS(OBS, PRED)" HA 102 0.356 1 42 1 7 1 "RMS(OBS, PRED)" N 91 2.986 1 43 1 8 1 "RMS(OBS, PRED)" C 94 1.451 1 44 1 8 1 "RMS(OBS, PRED)" CA 97 1.664 1 45 1 8 1 "RMS(OBS, PRED)" CB 92 1.856 1 46 1 8 1 "RMS(OBS, PRED)" H 91 0.457 1 47 1 8 1 "RMS(OBS, PRED)" HA 102 0.320 1 48 1 8 1 "RMS(OBS, PRED)" N 91 3.012 1 49 1 9 1 "RMS(OBS, PRED)" C 94 1.483 1 50 1 9 1 "RMS(OBS, PRED)" CA 97 1.789 1 51 1 9 1 "RMS(OBS, PRED)" CB 92 2.047 1 52 1 9 1 "RMS(OBS, PRED)" H 91 0.472 1 53 1 9 1 "RMS(OBS, PRED)" HA 102 0.366 1 54 1 9 1 "RMS(OBS, PRED)" N 91 2.954 1 55 1 10 1 "RMS(OBS, PRED)" C 94 1.497 1 56 1 10 1 "RMS(OBS, PRED)" CA 97 1.764 1 57 1 10 1 "RMS(OBS, PRED)" CB 92 2.003 1 58 1 10 1 "RMS(OBS, PRED)" H 91 0.409 1 59 1 10 1 "RMS(OBS, PRED)" HA 102 0.354 1 60 1 10 1 "RMS(OBS, PRED)" N 91 2.911 1 61 1 11 1 "RMS(OBS, PRED)" C 94 1.414 1 62 1 11 1 "RMS(OBS, PRED)" CA 97 1.695 1 63 1 11 1 "RMS(OBS, PRED)" CB 92 1.948 1 64 1 11 1 "RMS(OBS, PRED)" H 91 0.457 1 65 1 11 1 "RMS(OBS, PRED)" HA 102 0.341 1 66 1 11 1 "RMS(OBS, PRED)" N 91 3.140 1 67 1 12 1 "RMS(OBS, PRED)" C 94 1.407 1 68 1 12 1 "RMS(OBS, PRED)" CA 97 1.767 1 69 1 12 1 "RMS(OBS, PRED)" CB 92 2.018 1 70 1 12 1 "RMS(OBS, PRED)" H 91 0.453 1 71 1 12 1 "RMS(OBS, PRED)" HA 102 0.377 1 72 1 12 1 "RMS(OBS, PRED)" N 91 3.257 1 73 1 13 1 "RMS(OBS, PRED)" C 94 1.472 1 74 1 13 1 "RMS(OBS, PRED)" CA 97 1.693 1 75 1 13 1 "RMS(OBS, PRED)" CB 92 2.083 1 76 1 13 1 "RMS(OBS, PRED)" H 91 0.454 1 77 1 13 1 "RMS(OBS, PRED)" HA 102 0.339 1 78 1 13 1 "RMS(OBS, PRED)" N 91 2.971 1 79 1 14 1 "RMS(OBS, PRED)" C 94 1.418 1 80 1 14 1 "RMS(OBS, PRED)" CA 97 1.719 1 81 1 14 1 "RMS(OBS, PRED)" CB 92 2.024 1 82 1 14 1 "RMS(OBS, PRED)" H 91 0.404 1 83 1 14 1 "RMS(OBS, PRED)" HA 102 0.353 1 84 1 14 1 "RMS(OBS, PRED)" N 91 2.912 1 85 1 15 1 "RMS(OBS, PRED)" C 94 1.330 1 86 1 15 1 "RMS(OBS, PRED)" CA 97 1.710 1 87 1 15 1 "RMS(OBS, PRED)" CB 92 1.949 1 88 1 15 1 "RMS(OBS, PRED)" H 91 0.470 1 89 1 15 1 "RMS(OBS, PRED)" HA 102 0.327 1 90 1 15 1 "RMS(OBS, PRED)" N 91 3.070 1 91 1 16 1 "RMS(OBS, PRED)" C 94 1.436 1 92 1 16 1 "RMS(OBS, PRED)" CA 97 1.774 1 93 1 16 1 "RMS(OBS, PRED)" CB 92 2.049 1 94 1 16 1 "RMS(OBS, PRED)" H 91 0.471 1 95 1 16 1 "RMS(OBS, PRED)" HA 102 0.362 1 96 1 16 1 "RMS(OBS, PRED)" N 91 2.986 1 97 1 17 1 "RMS(OBS, PRED)" C 94 1.482 1 98 1 17 1 "RMS(OBS, PRED)" CA 97 1.684 1 99 1 17 1 "RMS(OBS, PRED)" CB 92 2.008 1 100 1 17 1 "RMS(OBS, PRED)" H 91 0.463 1 101 1 17 1 "RMS(OBS, PRED)" HA 102 0.344 1 102 1 17 1 "RMS(OBS, PRED)" N 91 2.937 1 103 1 18 1 "RMS(OBS, PRED)" C 94 1.458 1 104 1 18 1 "RMS(OBS, PRED)" CA 97 1.770 1 105 1 18 1 "RMS(OBS, PRED)" CB 92 2.038 1 106 1 18 1 "RMS(OBS, PRED)" H 91 0.447 1 107 1 18 1 "RMS(OBS, PRED)" HA 102 0.369 1 108 1 18 1 "RMS(OBS, PRED)" N 91 2.815 1 109 1 19 1 "RMS(OBS, PRED)" C 94 1.451 1 110 1 19 1 "RMS(OBS, PRED)" CA 97 1.787 1 111 1 19 1 "RMS(OBS, PRED)" CB 92 2.182 1 112 1 19 1 "RMS(OBS, PRED)" H 91 0.413 1 113 1 19 1 "RMS(OBS, PRED)" HA 102 0.368 1 114 1 19 1 "RMS(OBS, PRED)" N 91 2.934 1 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Conformer_type "average" _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entity_delta_chem_shifts_ID 1 1 . 1 1 A 2 2 ASP H H 44 8.930 8.495 0.435 2 1 2 . 1 1 A 2 2 ASP HA H 44 4.860 4.974 -0.114 2 1 5 . 1 1 A 2 2 ASP C C 44 175.278 174.622 0.656 2 1 6 . 1 1 A 2 2 ASP CA C 44 53.516 54.140 -0.624 2 1 7 . 1 1 A 2 2 ASP CB C 44 39.397 42.865 -3.468 2 1 8 . 1 1 A 2 2 ASP N N 44 122.920 121.618 1.302 2 1 9 . 1 1 A 3 3 VAL H H 45 8.329 8.553 -0.224 2 1 10 . 1 1 A 3 3 VAL HA H 45 4.120 4.622 -0.502 2 1 18 . 1 1 A 3 3 VAL C C 45 175.938 174.672 1.266 2 1 19 . 1 1 A 3 3 VAL CA C 45 62.422 60.158 2.264 2 1 20 . 1 1 A 3 3 VAL CB C 45 32.300 34.276 -1.976 2 1 23 . 1 1 A 3 3 VAL N N 45 121.541 119.957 1.584 2 1 24 . 1 1 A 4 4 LYS H H 46 8.400 8.618 -0.218 2 1 25 . 1 1 A 4 4 LYS HA H 46 4.387 4.625 -0.238 2 1 34 . 1 1 A 4 4 LYS C C 46 176.333 175.497 0.836 2 1 35 . 1 1 A 4 4 LYS CA C 46 56.270 56.013 0.257 2 1 36 . 1 1 A 4 4 LYS CB C 46 32.874 33.590 -0.716 2 1 40 . 1 1 A 4 4 LYS N N 46 125.410 123.588 1.822 2 1 42 . 1 1 A 5 5 VAL H H 47 8.190 8.610 -0.420 2 1 43 . 1 1 A 5 5 VAL HA H 47 4.118 4.609 -0.491 2 1 51 . 1 1 A 5 5 VAL C C 47 175.567 174.858 0.709 2 1 52 . 1 1 A 5 5 VAL CA C 47 61.954 60.719 1.235 2 1 53 . 1 1 A 5 5 VAL CB C 47 32.443 33.874 -1.431 2 1 56 . 1 1 A 5 5 VAL N N 47 121.672 120.219 1.453 2 1 57 . 1 1 A 6 6 ASN H H 48 8.571 8.756 -0.185 2 1 58 . 1 1 A 6 6 ASN HA H 48 4.750 5.263 -0.513 2 1 61 . 1 1 A 6 6 ASN C C 48 174.566 174.272 0.294 2 1 62 . 1 1 A 6 6 ASN CA C 48 53.047 52.338 0.709 2 1 63 . 1 1 A 6 6 ASN CB C 48 38.901 41.009 -2.108 2 1 64 . 1 1 A 6 6 ASN N N 48 123.230 122.042 1.188 2 1 65 . 1 1 A 7 7 LEU H H 49 8.286 8.759 -0.473 2 1 66 . 1 1 A 7 7 LEU HA H 49 4.632 4.881 -0.249 2 1 76 . 1 1 A 7 7 LEU C C 49 175.162 174.408 0.754 2 1 77 . 1 1 A 7 7 LEU CA C 49 53.047 52.237 0.810 2 1 78 . 1 1 A 7 7 LEU CB C 49 41.825 42.628 -0.803 2 1 82 . 1 1 A 7 7 LEU N N 49 124.491 123.142 1.349 2 1 83 . 1 1 A 8 8 PRO HA H 50 4.443 4.683 -0.240 2 1 90 . 1 1 A 8 8 PRO C C 50 176.734 176.097 0.637 2 1 91 . 1 1 A 8 8 PRO CA C 50 62.903 62.677 0.226 2 1 92 . 1 1 A 8 8 PRO CB C 50 31.839 32.862 -1.023 2 1 95 . 1 1 A 9 9 ALA H H 51 8.424 8.415 0.009 2 1 96 . 1 1 A 9 9 ALA HA H 51 4.330 4.621 -0.291 2 1 100 . 1 1 A 9 9 ALA C C 51 178.124 176.001 2.123 2 1 101 . 1 1 A 9 9 ALA CA C 51 52.578 51.972 0.606 2 1 102 . 1 1 A 9 9 ALA CB C 51 19.297 20.558 -1.261 2 1 103 . 1 1 A 9 9 ALA N N 51 124.364 122.079 2.285 2 1 104 . 1 1 A 10 10 SER H H 52 8.380 8.591 -0.211 2 1 105 . 1 1 A 10 10 SER HA H 52 4.223 5.003 -0.780 2 1 108 . 1 1 A 10 10 SER C C 52 174.982 173.023 1.959 2 1 109 . 1 1 A 10 10 SER CA C 52 58.672 57.444 1.228 2 1 110 . 1 1 A 10 10 SER CB C 52 63.829 64.614 -0.785 2 1 111 . 1 1 A 10 10 SER N N 52 114.800 116.329 -1.529 2 1 112 . 1 1 A 11 11 THR H H 53 8.227 8.659 -0.432 2 1 113 . 1 1 A 11 11 THR HA H 53 4.478 4.895 -0.417 2 1 118 . 1 1 A 11 11 THR C C 53 174.612 173.005 1.607 2 1 119 . 1 1 A 11 11 THR CA C 53 61.922 60.702 1.220 2 1 120 . 1 1 A 11 11 THR CB C 53 69.922 70.679 -0.757 2 1 122 . 1 1 A 11 11 THR N N 53 115.236 118.281 -3.045 2 1 123 . 1 1 A 12 12 SER H H 54 8.330 8.599 -0.269 2 1 124 . 1 1 A 12 12 SER HA H 54 4.559 4.989 -0.430 2 1 127 . 1 1 A 12 12 SER C C 54 174.299 173.244 1.055 2 1 128 . 1 1 A 12 12 SER CA C 54 58.204 57.673 0.531 2 1 129 . 1 1 A 12 12 SER CB C 54 63.891 65.200 -1.309 2 1 130 . 1 1 A 12 12 SER N N 54 117.770 119.779 -2.009 2 1 131 . 1 1 A 13 13 THR H H 55 8.274 8.652 -0.378 2 1 132 . 1 1 A 13 13 THR HA H 55 4.624 4.909 -0.285 2 1 137 . 1 1 A 13 13 THR C C 55 170.400 172.529 -2.129 2 1 138 . 1 1 A 13 13 THR CA C 55 60.079 58.863 1.216 2 1 139 . 1 1 A 13 13 THR CB C 55 69.922 70.034 -0.112 2 1 141 . 1 1 A 13 13 THR N N 55 118.865 116.178 2.687 2 1 142 . 1 1 A 14 14 PRO HA H 56 4.458 4.642 -0.184 2 1 149 . 1 1 A 14 14 PRO C C 56 176.748 175.837 0.911 2 1 150 . 1 1 A 14 14 PRO CA C 56 63.076 62.547 0.529 2 1 151 . 1 1 A 14 14 PRO CB C 56 32.043 32.805 -0.762 2 1 154 . 1 1 A 15 15 GLN H H 57 8.547 8.520 0.027 2 1 155 . 1 1 A 15 15 GLN HA H 57 4.620 4.790 -0.170 2 1 160 . 1 1 A 15 15 GLN CA C 57 53.600 53.280 0.320 2 1 161 . 1 1 A 15 15 GLN CB C 57 29.141 29.643 -0.502 2 1 163 . 1 1 A 15 15 GLN N N 57 122.041 120.129 1.912 2 1 165 . 1 1 A 16 16 PRO HA H 58 4.458 4.673 -0.215 2 1 172 . 1 1 A 16 16 PRO C C 58 176.620 175.904 0.716 2 1 173 . 1 1 A 16 16 PRO CA C 58 62.872 62.756 0.116 2 1 174 . 1 1 A 16 16 PRO CB C 58 32.111 32.920 -0.809 2 1 177 . 1 1 A 17 17 ARG H H 59 8.511 8.464 0.047 2 1 178 . 1 1 A 17 17 ARG HA H 59 4.643 4.895 -0.252 2 1 185 . 1 1 A 17 17 ARG CA C 59 53.985 53.638 0.347 2 1 186 . 1 1 A 17 17 ARG CB C 59 30.195 31.669 -1.474 2 1 189 . 1 1 A 17 17 ARG N N 59 122.731 120.721 2.010 2 1 190 . 1 1 A 18 18 PRO HA H 60 4.458 4.619 -0.161 2 1 197 . 1 1 A 18 18 PRO C C 60 176.892 175.742 1.150 2 1 198 . 1 1 A 18 18 PRO CA C 60 62.940 62.556 0.384 2 1 199 . 1 1 A 18 18 PRO CB C 60 32.891 32.904 -0.013 2 1 202 . 1 1 A 19 19 GLU H H 61 8.480 8.587 -0.107 2 1 203 . 1 1 A 19 19 GLU HA H 61 4.391 4.783 -0.392 2 1 208 . 1 1 A 19 19 GLU C C 61 176.174 175.521 0.653 2 1 209 . 1 1 A 19 19 GLU CA C 61 54.922 55.642 -0.720 2 1 210 . 1 1 A 19 19 GLU CB C 61 29.141 31.315 -2.174 2 1 212 . 1 1 A 19 19 GLU N N 61 120.840 119.973 0.867 2 1 213 . 1 1 A 20 20 LYS H H 62 8.502 8.694 -0.192 2 1 214 . 1 1 A 20 20 LYS HA H 62 4.620 4.894 -0.274 2 1 223 . 1 1 A 20 20 LYS C C 62 171.420 173.904 -2.484 2 1 224 . 1 1 A 20 20 LYS CA C 62 54.827 53.394 1.433 2 1 225 . 1 1 A 20 20 LYS CB C 62 32.422 34.641 -2.219 2 1 229 . 1 1 A 20 20 LYS N N 62 125.117 122.004 3.113 2 1 230 . 1 1 A 21 21 PRO HA H 63 4.448 4.551 -0.103 2 1 237 . 1 1 A 21 21 PRO CA C 63 62.261 62.531 -0.270 2 1 238 . 1 1 A 21 21 PRO CB C 63 32.422 32.271 0.151 2 1 241 . 1 1 A 22 22 VAL H H 64 8.570 8.516 0.054 2 1 242 . 1 1 A 22 22 VAL HA H 64 4.097 4.437 -0.340 2 1 250 . 1 1 A 22 22 VAL C C 64 173.862 174.459 -0.597 2 1 251 . 1 1 A 22 22 VAL CA C 64 61.000 61.657 -0.657 2 1 252 . 1 1 A 22 22 VAL CB C 64 33.770 32.467 1.303 2 1 255 . 1 1 A 22 22 VAL N N 64 120.453 122.302 -1.849 2 1 256 . 1 1 A 23 23 TYR H H 65 8.600 9.085 -0.485 2 1 257 . 1 1 A 23 23 TYR HA H 65 5.207 5.412 -0.205 2 1 264 . 1 1 A 23 23 TYR C C 65 174.916 174.014 0.902 2 1 265 . 1 1 A 23 23 TYR CA C 65 57.210 56.127 1.083 2 1 266 . 1 1 A 23 23 TYR CB C 65 39.454 41.956 -2.502 2 1 267 . 1 1 A 23 23 TYR N N 65 124.580 128.629 -4.049 2 1 268 . 1 1 A 24 24 LEU H H 66 9.186 9.306 -0.120 2 1 269 . 1 1 A 24 24 LEU HA H 66 5.261 5.205 0.056 2 1 279 . 1 1 A 24 24 LEU C C 66 175.491 176.160 -0.669 2 1 280 . 1 1 A 24 24 LEU CA C 66 53.516 53.824 -0.308 2 1 281 . 1 1 A 24 24 LEU CB C 66 45.078 44.156 0.922 2 1 285 . 1 1 A 24 24 LEU N N 66 128.669 128.156 0.513 2 1 286 . 1 1 A 25 25 SER H H 67 9.300 8.925 0.375 2 1 287 . 1 1 A 25 25 SER HA H 67 5.637 5.324 0.313 2 1 290 . 1 1 A 25 25 SER C C 67 173.470 173.524 -0.054 2 1 291 . 1 1 A 25 25 SER CA C 67 56.784 57.708 -0.924 2 1 292 . 1 1 A 25 25 SER CB C 67 65.267 65.262 0.005 2 1 293 . 1 1 A 25 25 SER N N 67 120.290 120.465 -0.175 2 1 294 . 1 1 A 26 26 VAL H H 68 8.600 8.721 -0.121 2 1 295 . 1 1 A 26 26 VAL HA H 68 4.847 5.228 -0.381 2 1 303 . 1 1 A 26 26 VAL C C 68 175.205 174.577 0.628 2 1 304 . 1 1 A 26 26 VAL CA C 68 60.950 59.872 1.078 2 1 305 . 1 1 A 26 26 VAL CB C 68 33.770 34.744 -0.974 2 1 308 . 1 1 A 26 26 VAL N N 68 123.723 124.961 -1.238 2 1 309 . 1 1 A 27 27 LYS H H 69 8.760 8.679 0.081 2 1 310 . 1 1 A 27 27 LYS HA H 69 4.630 4.866 -0.236 2 1 319 . 1 1 A 27 27 LYS C C 69 176.007 175.893 0.114 2 1 320 . 1 1 A 27 27 LYS CA C 69 62.400 54.675 7.725 2 1 321 . 1 1 A 27 27 LYS CB C 69 33.820 35.349 -1.529 2 1 325 . 1 1 A 27 27 LYS N N 69 126.000 121.715 4.285 2 1 326 . 1 1 A 28 28 ALA H H 70 8.728 8.790 -0.062 2 1 327 . 1 1 A 28 28 ALA HA H 70 4.018 3.931 0.087 2 1 331 . 1 1 A 28 28 ALA C C 70 177.852 177.057 0.795 2 1 332 . 1 1 A 28 28 ALA CA C 70 53.985 54.136 -0.151 2 1 333 . 1 1 A 28 28 ALA CB C 70 19.297 17.858 1.439 2 1 334 . 1 1 A 28 28 ALA N N 70 124.480 121.654 2.826 2 1 335 . 1 1 A 29 29 ASP H H 71 8.256 8.756 -0.500 2 1 336 . 1 1 A 29 29 ASP HA H 71 4.497 4.513 -0.016 2 1 339 . 1 1 A 29 29 ASP C C 71 176.455 176.030 0.425 2 1 340 . 1 1 A 29 29 ASP CA C 71 53.985 55.765 -1.780 2 1 341 . 1 1 A 29 29 ASP CB C 71 39.315 40.702 -1.387 2 1 342 . 1 1 A 29 29 ASP N N 71 118.722 117.895 0.827 2 1 343 . 1 1 A 30 30 ASN H H 72 8.380 8.051 0.329 2 1 344 . 1 1 A 30 30 ASN HA H 72 4.374 4.801 -0.427 2 1 349 . 1 1 A 30 30 ASN C C 72 174.641 173.714 0.927 2 1 350 . 1 1 A 30 30 ASN CA C 72 54.453 53.242 1.211 2 1 351 . 1 1 A 30 30 ASN CB C 72 37.579 38.629 -1.050 2 1 352 . 1 1 A 30 30 ASN N N 72 113.000 115.161 -2.161 2 1 353 . 1 1 A 31 31 SER H H 73 7.710 8.052 -0.342 2 1 354 . 1 1 A 31 31 SER HA H 73 4.404 5.030 -0.626 2 1 357 . 1 1 A 31 31 SER C C 73 172.527 173.285 -0.758 2 1 358 . 1 1 A 31 31 SER CA C 73 58.672 57.161 1.511 2 1 359 . 1 1 A 31 31 SER CB C 73 63.303 65.370 -2.067 2 1 360 . 1 1 A 31 31 SER N N 73 115.080 115.957 -0.877 2 1 361 . 1 1 A 32 32 MET H H 74 8.065 8.652 -0.587 2 1 362 . 1 1 A 32 32 MET HA H 74 5.573 5.252 0.321 2 1 370 . 1 1 A 32 32 MET C C 74 174.974 175.697 -0.723 2 1 371 . 1 1 A 32 32 MET CA C 74 54.397 54.287 0.110 2 1 372 . 1 1 A 32 32 MET CB C 74 37.579 33.473 4.106 2 1 375 . 1 1 A 32 32 MET N N 74 121.780 125.422 -3.642 2 1 376 . 1 1 A 33 33 PHE H H 75 8.900 9.142 -0.242 2 1 377 . 1 1 A 33 33 PHE HA H 75 5.190 4.886 0.304 2 1 384 . 1 1 A 33 33 PHE C C 75 175.228 174.445 0.783 2 1 385 . 1 1 A 33 33 PHE CA C 75 56.797 57.887 -1.090 2 1 386 . 1 1 A 33 33 PHE CB C 75 44.141 40.802 3.339 2 1 387 . 1 1 A 33 33 PHE N N 75 118.800 123.273 -4.473 2 1 388 . 1 1 A 34 34 ILE H H 76 8.830 8.464 0.366 2 1 389 . 1 1 A 34 34 ILE HA H 76 4.851 4.396 0.455 2 1 399 . 1 1 A 34 34 ILE C C 76 177.606 177.420 0.186 2 1 400 . 1 1 A 34 34 ILE CA C 76 59.610 61.156 -1.546 2 1 401 . 1 1 A 34 34 ILE CB C 76 37.990 38.170 -0.180 2 1 405 . 1 1 A 34 34 ILE N N 76 121.330 128.308 -6.978 2 1 406 . 1 1 A 35 35 GLY H H 77 9.177 8.702 0.475 2 1 407 . 1 1 A 35 35 GLY HA2 H 77 4.139 3.830 0.309 2 1 408 . 1 1 A 35 35 GLY HA3 H 77 3.742 3.842 -0.100 2 1 409 . 1 1 A 35 35 GLY C C 77 174.757 175.106 -0.349 2 1 410 . 1 1 A 35 35 GLY CA C 77 47.422 47.022 0.400 2 1 411 . 1 1 A 35 35 GLY N N 77 118.894 112.636 6.258 2 1 412 . 1 1 A 36 36 ASN H H 78 9.170 8.563 0.607 2 1 413 . 1 1 A 36 36 ASN HA H 78 4.846 4.677 0.169 2 1 416 . 1 1 A 36 36 ASN C C 78 174.867 173.827 1.040 2 1 417 . 1 1 A 36 36 ASN CA C 78 52.578 53.660 -1.082 2 1 418 . 1 1 A 36 36 ASN CB C 78 38.985 38.439 0.546 2 1 419 . 1 1 A 36 36 ASN N N 78 125.494 120.256 5.238 2 1 420 . 1 1 A 37 37 ASP H H 79 8.590 8.089 0.501 2 1 421 . 1 1 A 37 37 ASP HA H 79 5.330 5.040 0.290 2 1 424 . 1 1 A 37 37 ASP C C 79 173.009 173.201 -0.192 2 1 425 . 1 1 A 37 37 ASP CA C 79 51.172 51.840 -0.668 2 1 426 . 1 1 A 37 37 ASP CB C 79 39.922 41.420 -1.498 2 1 427 . 1 1 A 37 37 ASP N N 79 121.409 119.697 1.712 2 1 428 . 1 1 A 38 38 PRO HA H 80 4.320 4.480 -0.160 2 1 435 . 1 1 A 38 38 PRO C C 80 176.862 176.225 0.637 2 1 436 . 1 1 A 38 38 PRO CA C 80 62.422 62.346 0.076 2 1 437 . 1 1 A 38 38 PRO CB C 80 32.890 31.638 1.252 2 1 440 . 1 1 A 39 39 VAL H H 81 8.001 7.995 0.006 2 1 441 . 1 1 A 39 39 VAL HA H 81 4.522 4.909 -0.387 2 1 449 . 1 1 A 39 39 VAL C C 81 173.912 173.785 0.127 2 1 450 . 1 1 A 39 39 VAL CA C 81 59.141 59.429 -0.288 2 1 451 . 1 1 A 39 39 VAL CB C 81 36.172 36.441 -0.269 2 1 454 . 1 1 A 39 39 VAL N N 81 115.450 116.617 -1.167 2 1 455 . 1 1 A 40 40 THR H H 82 7.672 8.454 -0.782 2 1 456 . 1 1 A 40 40 THR HA H 82 4.746 4.787 -0.041 2 1 461 . 1 1 A 40 40 THR C C 82 175.692 174.904 0.788 2 1 462 . 1 1 A 40 40 THR CA C 82 59.121 59.897 -0.776 2 1 463 . 1 1 A 40 40 THR CB C 82 72.735 71.993 0.742 2 1 465 . 1 1 A 40 40 THR N N 82 110.320 114.011 -3.691 2 1 466 . 1 1 A 41 41 ASP H H 83 9.370 9.008 0.362 2 1 467 . 1 1 A 41 41 ASP HA H 83 4.314 4.497 -0.183 2 1 470 . 1 1 A 41 41 ASP C C 83 176.943 177.447 -0.504 2 1 471 . 1 1 A 41 41 ASP CA C 83 56.797 56.117 0.680 2 1 472 . 1 1 A 41 41 ASP CB C 83 38.047 40.463 -2.416 2 1 473 . 1 1 A 41 41 ASP N N 83 118.710 122.756 -4.046 2 1 474 . 1 1 A 42 42 GLU H H 84 8.228 8.079 0.149 2 1 475 . 1 1 A 42 42 GLU HA H 84 4.336 4.280 0.056 2 1 480 . 1 1 A 42 42 GLU C C 84 177.827 177.769 0.058 2 1 481 . 1 1 A 42 42 GLU CA C 84 58.204 58.266 -0.062 2 1 482 . 1 1 A 42 42 GLU CB C 84 29.141 30.309 -1.168 2 1 484 . 1 1 A 42 42 GLU N N 84 115.213 119.058 -3.845 2 1 485 . 1 1 A 43 43 THR H H 85 7.510 7.873 -0.363 2 1 486 . 1 1 A 43 43 THR HA H 85 4.664 4.646 0.018 2 1 491 . 1 1 A 43 43 THR C C 85 175.799 175.444 0.355 2 1 492 . 1 1 A 43 43 THR CA C 85 61.395 61.575 -0.180 2 1 493 . 1 1 A 43 43 THR CB C 85 70.391 69.180 1.211 2 1 495 . 1 1 A 43 43 THR N N 85 108.315 114.050 -5.735 2 1 496 . 1 1 A 44 44 MET H H 86 7.900 7.996 -0.096 2 1 497 . 1 1 A 44 44 MET HA H 86 3.820 4.251 -0.431 2 1 505 . 1 1 A 44 44 MET C C 86 176.605 178.447 -1.842 2 1 506 . 1 1 A 44 44 MET CA C 86 60.547 58.164 2.383 2 1 507 . 1 1 A 44 44 MET CB C 86 32.422 32.230 0.192 2 1 510 . 1 1 A 44 44 MET N N 86 121.500 120.183 1.317 2 1 511 . 1 1 A 45 45 ILE H H 87 8.430 7.953 0.477 2 1 512 . 1 1 A 45 45 ILE HA H 87 3.686 3.781 -0.095 2 1 522 . 1 1 A 45 45 ILE C C 87 177.773 178.061 -0.288 2 1 523 . 1 1 A 45 45 ILE CA C 87 62.934 64.779 -1.845 2 1 524 . 1 1 A 45 45 ILE CB C 87 34.766 37.798 -3.032 2 1 528 . 1 1 A 45 45 ILE N N 87 117.970 120.355 -2.385 2 1 529 . 1 1 A 46 46 THR H H 88 8.070 8.193 -0.123 2 1 530 . 1 1 A 46 46 THR HA H 88 3.953 4.024 -0.071 2 1 535 . 1 1 A 46 46 THR C C 88 177.011 177.024 -0.013 2 1 536 . 1 1 A 46 46 THR CA C 88 66.640 65.588 1.052 2 1 537 . 1 1 A 46 46 THR CB C 88 68.000 68.240 -0.240 2 1 539 . 1 1 A 46 46 THR N N 88 116.920 113.208 3.712 2 1 540 . 1 1 A 47 47 ALA H H 89 7.710 8.066 -0.356 2 1 541 . 1 1 A 47 47 ALA HA H 89 4.240 4.158 0.082 2 1 545 . 1 1 A 47 47 ALA C C 89 174.356 179.924 -5.568 2 1 546 . 1 1 A 47 47 ALA CA C 89 55.094 55.106 -0.012 2 1 547 . 1 1 A 47 47 ALA CB C 89 18.828 18.328 0.500 2 1 548 . 1 1 A 47 47 ALA N N 89 123.490 124.468 -0.978 2 1 549 . 1 1 A 48 48 LEU H H 90 8.570 8.110 0.460 2 1 550 . 1 1 A 48 48 LEU HA H 90 3.445 4.003 -0.558 2 1 560 . 1 1 A 48 48 LEU C C 90 178.088 179.239 -1.151 2 1 561 . 1 1 A 48 48 LEU CA C 90 67.110 58.181 8.929 2 1 562 . 1 1 A 48 48 LEU CB C 90 31.420 41.829 -10.409 2 1 566 . 1 1 A 48 48 LEU N N 90 119.800 119.088 0.712 2 1 567 . 1 1 A 49 49 ASN H H 91 8.979 8.575 0.404 2 1 568 . 1 1 A 49 49 ASN HA H 91 4.494 4.538 -0.044 2 1 571 . 1 1 A 49 49 ASN C C 91 178.227 177.808 0.419 2 1 572 . 1 1 A 49 49 ASN CA C 91 54.397 56.267 -1.870 2 1 573 . 1 1 A 49 49 ASN CB C 91 37.578 38.146 -0.568 2 1 574 . 1 1 A 49 49 ASN N N 91 117.500 117.515 -0.015 2 1 575 . 1 1 A 50 50 ALA H H 92 7.710 7.688 0.022 2 1 576 . 1 1 A 50 50 ALA HA H 92 4.232 4.086 0.146 2 1 580 . 1 1 A 50 50 ALA C C 92 180.155 179.607 0.548 2 1 581 . 1 1 A 50 50 ALA CA C 92 54.886 54.751 0.135 2 1 582 . 1 1 A 50 50 ALA CB C 92 17.962 18.508 -0.546 2 1 583 . 1 1 A 50 50 ALA N N 92 120.900 122.734 -1.834 2 1 584 . 1 1 A 51 51 LEU H H 93 7.670 7.904 -0.234 2 1 585 . 1 1 A 51 51 LEU HA H 93 4.340 4.081 0.259 2 1 595 . 1 1 A 51 51 LEU C C 93 179.407 179.039 0.368 2 1 596 . 1 1 A 51 51 LEU CA C 93 56.829 57.529 -0.700 2 1 597 . 1 1 A 51 51 LEU CB C 93 42.734 42.751 -0.017 2 1 601 . 1 1 A 51 51 LEU N N 93 117.980 117.712 0.268 2 1 602 . 1 1 A 52 52 THR H H 94 8.530 8.246 0.284 2 1 603 . 1 1 A 52 52 THR HA H 94 4.437 4.315 0.122 2 1 608 . 1 1 A 52 52 THR C C 94 177.112 174.768 2.344 2 1 609 . 1 1 A 52 52 THR CA C 94 61.485 62.873 -1.388 2 1 610 . 1 1 A 52 52 THR CB C 94 70.860 69.604 1.256 2 1 612 . 1 1 A 52 52 THR N N 94 107.010 109.119 -2.109 2 1 613 . 1 1 A 53 53 GLU H H 95 8.001 8.191 -0.190 2 1 614 . 1 1 A 53 53 GLU HA H 95 4.062 4.112 -0.050 2 1 619 . 1 1 A 53 53 GLU C C 95 176.199 176.010 0.189 2 1 620 . 1 1 A 53 53 GLU CA C 95 56.797 57.514 -0.717 2 1 621 . 1 1 A 53 53 GLU CB C 95 26.346 28.303 -1.957 2 1 623 . 1 1 A 53 53 GLU N N 95 117.560 120.686 -3.126 2 1 624 . 1 1 A 54 54 GLY H H 96 8.349 8.537 -0.188 2 1 625 . 1 1 A 54 54 GLY HA2 H 96 4.120 3.867 0.253 2 1 626 . 1 1 A 54 54 GLY HA3 H 96 3.520 3.878 -0.358 2 1 627 . 1 1 A 54 54 GLY C C 96 174.264 174.079 0.185 2 1 628 . 1 1 A 54 54 GLY CA C 96 44.600 46.245 -1.645 2 1 629 . 1 1 A 54 54 GLY N N 96 105.347 105.115 0.232 2 1 630 . 1 1 A 55 55 LYS H H 97 7.400 7.737 -0.337 2 1 631 . 1 1 A 55 55 LYS HA H 97 4.386 4.443 -0.057 2 1 640 . 1 1 A 55 55 LYS C C 97 177.395 175.875 1.520 2 1 641 . 1 1 A 55 55 LYS CA C 97 56.797 55.253 1.544 2 1 642 . 1 1 A 55 55 LYS CB C 97 30.522 32.824 -2.302 2 1 646 . 1 1 A 55 55 LYS N N 97 120.080 120.473 -0.393 2 1 647 . 1 1 A 56 56 LYS H H 98 8.510 8.505 0.005 2 1 648 . 1 1 A 56 56 LYS HA H 98 3.940 4.408 -0.468 2 1 657 . 1 1 A 56 56 LYS C C 98 176.420 177.980 -1.560 2 1 658 . 1 1 A 56 56 LYS CA C 98 56.741 57.402 -0.661 2 1 659 . 1 1 A 56 56 LYS CB C 98 30.079 32.660 -2.581 2 1 663 . 1 1 A 56 56 LYS N N 98 126.202 124.616 1.586 2 1 664 . 1 1 A 57 57 ASP H H 99 8.510 8.149 0.361 2 1 665 . 1 1 A 57 57 ASP HA H 99 4.570 4.440 0.130 2 1 668 . 1 1 A 57 57 ASP C C 99 174.777 177.227 -2.450 2 1 669 . 1 1 A 57 57 ASP CA C 99 52.991 57.004 -4.013 2 1 670 . 1 1 A 57 57 ASP CB C 99 38.516 40.613 -2.097 2 1 671 . 1 1 A 57 57 ASP N N 99 116.900 119.139 -2.239 2 1 672 . 1 1 A 58 58 THR H H 100 7.400 7.653 -0.253 2 1 673 . 1 1 A 58 58 THR HA H 100 3.971 4.273 -0.302 2 1 678 . 1 1 A 58 58 THR C C 100 172.742 174.419 -1.677 2 1 679 . 1 1 A 58 58 THR CA C 100 63.360 63.864 -0.504 2 1 680 . 1 1 A 58 58 THR CB C 100 70.391 69.528 0.863 2 1 682 . 1 1 A 58 58 THR N N 100 117.350 115.299 2.051 2 1 683 . 1 1 A 59 59 THR H H 101 8.414 8.641 -0.227 2 1 684 . 1 1 A 59 59 THR HA H 101 4.174 4.612 -0.438 2 1 689 . 1 1 A 59 59 THR C C 101 172.505 174.225 -1.720 2 1 690 . 1 1 A 59 59 THR CA C 101 63.829 63.708 0.121 2 1 691 . 1 1 A 59 59 THR CB C 101 69.454 68.862 0.592 2 1 693 . 1 1 A 59 59 THR N N 101 123.260 121.847 1.413 2 1 694 . 1 1 A 60 60 ILE H H 102 8.190 8.695 -0.505 2 1 695 . 1 1 A 60 60 ILE HA H 102 4.399 5.015 -0.616 2 1 705 . 1 1 A 60 60 ILE C C 102 175.119 175.158 -0.039 2 1 706 . 1 1 A 60 60 ILE CA C 102 58.204 60.241 -2.037 2 1 707 . 1 1 A 60 60 ILE CB C 102 38.047 39.926 -1.879 2 1 711 . 1 1 A 60 60 ILE N N 102 126.467 128.217 -1.750 2 1 712 . 1 1 A 61 61 PHE H H 103 8.900 8.812 0.088 2 1 713 . 1 1 A 61 61 PHE HA H 103 5.204 5.143 0.061 2 1 720 . 1 1 A 61 61 PHE C C 103 174.877 174.881 -0.004 2 1 721 . 1 1 A 61 61 PHE CA C 103 57.266 56.642 0.624 2 1 722 . 1 1 A 61 61 PHE CB C 103 40.860 39.582 1.278 2 1 723 . 1 1 A 61 61 PHE N N 103 125.650 126.804 -1.154 2 1 724 . 1 1 A 62 62 PHE H H 104 9.110 8.883 0.227 2 1 725 . 1 1 A 62 62 PHE HA H 104 5.590 4.947 0.643 2 1 732 . 1 1 A 62 62 PHE C C 104 174.407 173.880 0.527 2 1 733 . 1 1 A 62 62 PHE CA C 104 54.922 56.779 -1.857 2 1 734 . 1 1 A 62 62 PHE CB C 104 41.300 40.166 1.134 2 1 735 . 1 1 A 62 62 PHE N N 104 123.447 124.416 -0.969 2 1 736 . 1 1 A 63 63 ARG H H 105 9.020 8.780 0.240 2 1 737 . 1 1 A 63 63 ARG HA H 105 4.830 4.944 -0.114 2 1 744 . 1 1 A 63 63 ARG C C 105 173.862 174.767 -0.905 2 1 745 . 1 1 A 63 63 ARG CA C 105 54.453 54.867 -0.414 2 1 746 . 1 1 A 63 63 ARG CB C 105 32.422 32.122 0.300 2 1 749 . 1 1 A 63 63 ARG N N 105 126.020 128.854 -2.834 2 1 750 . 1 1 A 64 64 ALA H H 106 8.640 8.740 -0.100 2 1 751 . 1 1 A 64 64 ALA HA H 106 5.223 5.010 0.213 2 1 755 . 1 1 A 64 64 ALA C C 106 176.565 176.195 0.370 2 1 756 . 1 1 A 64 64 ALA CA C 106 50.235 50.063 0.172 2 1 757 . 1 1 A 64 64 ALA CB C 106 22.110 21.730 0.380 2 1 758 . 1 1 A 64 64 ALA N N 106 126.540 128.927 -2.387 2 1 759 . 1 1 A 65 65 ASP H H 107 7.900 8.408 -0.508 2 1 760 . 1 1 A 65 65 ASP HA H 107 4.685 4.550 0.135 2 1 763 . 1 1 A 65 65 ASP C C 107 176.987 177.563 -0.576 2 1 764 . 1 1 A 65 65 ASP CA C 107 54.453 54.352 0.101 2 1 765 . 1 1 A 65 65 ASP CB C 107 42.209 41.973 0.236 2 1 766 . 1 1 A 65 65 ASP N N 107 121.600 120.954 0.646 2 1 767 . 1 1 A 66 66 LYS H H 108 8.700 8.833 -0.133 2 1 768 . 1 1 A 66 66 LYS HA H 108 4.221 4.103 0.118 2 1 777 . 1 1 A 66 66 LYS C C 108 177.007 177.246 -0.239 2 1 778 . 1 1 A 66 66 LYS CA C 108 58.682 58.463 0.219 2 1 779 . 1 1 A 66 66 LYS CB C 108 32.422 32.006 0.416 2 1 783 . 1 1 A 66 66 LYS N N 108 120.740 122.223 -1.483 2 1 784 . 1 1 A 67 67 THR H H 109 8.035 7.668 0.367 2 1 785 . 1 1 A 67 67 THR HA H 109 4.270 4.449 -0.179 2 1 790 . 1 1 A 67 67 THR C C 109 175.031 174.185 0.846 2 1 791 . 1 1 A 67 67 THR CA C 109 62.422 61.851 0.571 2 1 792 . 1 1 A 67 67 THR CB C 109 68.985 69.041 -0.056 2 1 794 . 1 1 A 67 67 THR N N 109 108.086 109.821 -1.735 2 1 795 . 1 1 A 68 68 VAL H H 110 7.470 7.428 0.042 2 1 796 . 1 1 A 68 68 VAL HA H 110 3.960 4.125 -0.165 2 1 804 . 1 1 A 68 68 VAL C C 110 175.691 175.123 0.568 2 1 805 . 1 1 A 68 68 VAL CA C 110 63.360 62.270 1.090 2 1 806 . 1 1 A 68 68 VAL CB C 110 32.422 32.853 -0.431 2 1 809 . 1 1 A 68 68 VAL N N 110 123.270 122.986 0.284 2 1 810 . 1 1 A 69 69 ASP H H 111 8.710 8.583 0.127 2 1 811 . 1 1 A 69 69 ASP HA H 111 4.645 5.038 -0.393 2 1 814 . 1 1 A 69 69 ASP C C 111 176.150 177.101 -0.951 2 1 815 . 1 1 A 69 69 ASP CA C 111 53.989 53.076 0.913 2 1 816 . 1 1 A 69 69 ASP CB C 111 41.328 42.957 -1.629 2 1 817 . 1 1 A 69 69 ASP N N 111 126.170 126.513 -0.343 2 1 818 . 1 1 A 70 70 TYR H H 112 8.840 9.087 -0.247 2 1 819 . 1 1 A 70 70 TYR HA H 112 4.056 4.164 -0.108 2 1 826 . 1 1 A 70 70 TYR C C 112 177.075 177.622 -0.547 2 1 827 . 1 1 A 70 70 TYR CA C 112 61.890 62.062 -0.172 2 1 828 . 1 1 A 70 70 TYR CB C 112 38.980 38.715 0.265 2 1 829 . 1 1 A 70 70 TYR N N 112 123.360 124.350 -0.990 2 1 830 . 1 1 A 71 71 GLU H H 113 8.550 8.208 0.342 2 1 831 . 1 1 A 71 71 GLU HA H 113 3.904 3.860 0.044 2 1 836 . 1 1 A 71 71 GLU C C 113 179.338 178.888 0.450 2 1 837 . 1 1 A 71 71 GLU CA C 113 59.610 58.993 0.617 2 1 838 . 1 1 A 71 71 GLU CB C 113 27.765 29.111 -1.346 2 1 840 . 1 1 A 71 71 GLU N N 113 116.730 118.656 -1.926 2 1 841 . 1 1 A 72 72 THR H H 114 7.780 7.824 -0.044 2 1 842 . 1 1 A 72 72 THR HA H 114 4.320 3.998 0.322 2 1 847 . 1 1 A 72 72 THR C C 114 175.987 176.583 -0.596 2 1 848 . 1 1 A 72 72 THR CA C 114 67.579 66.537 1.042 2 1 849 . 1 1 A 72 72 THR CB C 114 66.640 68.652 -2.012 2 1 851 . 1 1 A 72 72 THR N N 114 117.340 116.537 0.803 2 1 852 . 1 1 A 73 73 LEU H H 115 7.570 7.754 -0.184 2 1 853 . 1 1 A 73 73 LEU HA H 115 3.838 4.043 -0.205 2 1 863 . 1 1 A 73 73 LEU C C 115 178.670 178.508 0.162 2 1 864 . 1 1 A 73 73 LEU CA C 115 58.203 57.903 0.300 2 1 865 . 1 1 A 73 73 LEU CB C 115 40.860 41.321 -0.461 2 1 868 . 1 1 A 73 73 LEU N N 115 120.510 119.214 1.296 2 1 869 . 1 1 A 74 74 MET H H 116 8.280 7.633 0.647 2 1 870 . 1 1 A 74 74 MET HA H 116 4.100 4.124 -0.024 2 1 878 . 1 1 A 74 74 MET C C 116 178.503 178.174 0.329 2 1 879 . 1 1 A 74 74 MET CA C 116 57.210 58.019 -0.809 2 1 880 . 1 1 A 74 74 MET CB C 116 32.400 31.981 0.419 2 1 883 . 1 1 A 74 74 MET N N 116 116.240 118.821 -2.581 2 1 884 . 1 1 A 75 75 LYS H H 117 7.755 7.545 0.210 2 1 885 . 1 1 A 75 75 LYS HA H 117 4.146 4.013 0.133 2 1 894 . 1 1 A 75 75 LYS C C 117 173.559 179.421 -5.862 2 1 895 . 1 1 A 75 75 LYS CA C 117 59.610 59.162 0.448 2 1 896 . 1 1 A 75 75 LYS CB C 117 31.495 32.479 -0.984 2 1 900 . 1 1 A 75 75 LYS N N 117 120.230 119.152 1.078 2 1 901 . 1 1 A 76 76 VAL H H 118 7.880 7.766 0.114 2 1 902 . 1 1 A 76 76 VAL HA H 118 3.598 3.844 -0.246 2 1 910 . 1 1 A 76 76 VAL C C 118 178.205 177.999 0.206 2 1 911 . 1 1 A 76 76 VAL CA C 118 66.641 65.124 1.517 2 1 912 . 1 1 A 76 76 VAL CB C 118 31.485 31.545 -0.060 2 1 915 . 1 1 A 76 76 VAL N N 118 120.500 115.823 4.677 2 1 916 . 1 1 A 77 77 MET H H 119 8.262 7.963 0.299 2 1 917 . 1 1 A 77 77 MET HA H 119 3.904 3.983 -0.079 2 1 925 . 1 1 A 77 77 MET C C 119 178.200 177.675 0.525 2 1 926 . 1 1 A 77 77 MET CA C 119 59.610 58.419 1.191 2 1 927 . 1 1 A 77 77 MET CB C 119 32.422 31.920 0.502 2 1 930 . 1 1 A 77 77 MET N N 119 118.320 120.223 -1.903 2 1 931 . 1 1 A 78 78 ASP H H 120 8.720 7.856 0.864 2 1 932 . 1 1 A 78 78 ASP HA H 120 4.400 4.274 0.126 2 1 935 . 1 1 A 78 78 ASP C C 120 178.216 178.752 -0.536 2 1 936 . 1 1 A 78 78 ASP CA C 120 56.797 57.169 -0.372 2 1 937 . 1 1 A 78 78 ASP CB C 120 38.980 40.692 -1.712 2 1 938 . 1 1 A 78 78 ASP N N 120 117.800 119.371 -1.571 2 1 939 . 1 1 A 79 79 THR H H 121 8.040 7.805 0.235 2 1 940 . 1 1 A 79 79 THR HA H 121 3.939 3.981 -0.042 2 1 945 . 1 1 A 79 79 THR C C 121 176.582 177.029 -0.447 2 1 946 . 1 1 A 79 79 THR CA C 121 66.641 67.301 -0.660 2 1 947 . 1 1 A 79 79 THR CB C 121 68.516 68.565 -0.049 2 1 949 . 1 1 A 79 79 THR N N 121 118.470 117.002 1.468 2 1 950 . 1 1 A 80 80 LEU H H 122 7.931 8.140 -0.209 2 1 951 . 1 1 A 80 80 LEU HA H 122 4.136 4.149 -0.013 2 1 961 . 1 1 A 80 80 LEU C C 122 178.936 179.148 -0.212 2 1 962 . 1 1 A 80 80 LEU CA C 122 58.672 58.046 0.626 2 1 963 . 1 1 A 80 80 LEU CB C 122 41.328 41.237 0.091 2 1 967 . 1 1 A 80 80 LEU N N 122 121.676 118.996 2.680 2 1 968 . 1 1 A 81 81 HIS H H 123 8.825 7.869 0.956 2 1 969 . 1 1 A 81 81 HIS HA H 123 4.455 4.304 0.151 2 1 974 . 1 1 A 81 81 HIS C C 123 179.780 178.016 1.764 2 1 975 . 1 1 A 81 81 HIS CA C 123 57.732 59.736 -2.004 2 1 976 . 1 1 A 81 81 HIS CB C 123 28.672 30.004 -1.332 2 1 977 . 1 1 A 81 81 HIS N N 123 117.910 118.202 -0.292 2 1 978 . 1 1 A 82 82 GLN H H 124 8.740 8.157 0.583 2 1 979 . 1 1 A 82 82 GLN HA H 124 4.092 4.057 0.035 2 1 984 . 1 1 A 82 82 GLN C C 124 177.091 177.059 0.032 2 1 985 . 1 1 A 82 82 GLN CA C 124 58.672 58.099 0.573 2 1 986 . 1 1 A 82 82 GLN CB C 124 28.204 28.020 0.184 2 1 988 . 1 1 A 82 82 GLN N N 124 120.420 117.048 3.372 2 1 989 . 1 1 A 83 83 ALA H H 125 7.330 7.410 -0.080 2 1 990 . 1 1 A 83 83 ALA HA H 125 4.495 4.329 0.166 2 1 994 . 1 1 A 83 83 ALA C C 125 176.371 177.783 -1.412 2 1 995 . 1 1 A 83 83 ALA CA C 125 52.110 51.680 0.430 2 1 996 . 1 1 A 83 83 ALA CB C 125 19.756 18.801 0.955 2 1 997 . 1 1 A 83 83 ALA N N 125 119.130 119.743 -0.613 2 1 998 . 1 1 A 84 84 GLY H H 126 7.780 8.034 -0.254 2 1 999 . 1 1 A 84 84 GLY HA2 H 126 4.111 3.839 0.272 2 1 1000 . 1 1 A 84 84 GLY HA3 H 126 3.505 3.909 -0.404 2 1 1001 . 1 1 A 84 84 GLY C C 126 173.562 173.926 -0.364 2 1 1002 . 1 1 A 84 84 GLY CA C 126 44.610 45.751 -1.141 2 1 1003 . 1 1 A 84 84 GLY N N 126 104.120 107.340 -3.220 2 1 1004 . 1 1 A 85 85 TYR H H 127 7.910 8.169 -0.259 2 1 1005 . 1 1 A 85 85 TYR HA H 127 4.551 4.225 0.326 2 1 1012 . 1 1 A 85 85 TYR C C 127 177.192 175.823 1.369 2 1 1013 . 1 1 A 85 85 TYR CA C 127 59.610 58.338 1.272 2 1 1014 . 1 1 A 85 85 TYR CB C 127 37.110 37.022 0.088 2 1 1015 . 1 1 A 85 85 TYR N N 127 120.310 121.060 -0.750 2 1 1016 . 1 1 A 86 86 LEU H H 128 7.835 8.466 -0.631 2 1 1017 . 1 1 A 86 86 LEU HA H 128 4.357 4.566 -0.209 2 1 1027 . 1 1 A 86 86 LEU C C 128 178.503 176.142 2.361 2 1 1028 . 1 1 A 86 86 LEU CA C 128 54.456 54.401 0.055 2 1 1029 . 1 1 A 86 86 LEU CB C 128 43.203 42.779 0.424 2 1 1033 . 1 1 A 86 86 LEU N N 128 120.100 122.279 -2.179 2 1 1034 . 1 1 A 87 87 LYS H H 129 9.330 7.847 1.483 2 1 1035 . 1 1 A 87 87 LYS HA H 129 4.512 4.593 -0.081 2 1 1044 . 1 1 A 87 87 LYS C C 129 173.251 174.937 -1.686 2 1 1045 . 1 1 A 87 87 LYS CA C 129 54.922 55.379 -0.457 2 1 1046 . 1 1 A 87 87 LYS CB C 129 31.000 33.341 -2.341 2 1 1050 . 1 1 A 87 87 LYS N N 129 125.180 118.323 6.857 2 1 1051 . 1 1 A 88 88 ILE H H 130 7.589 8.455 -0.866 2 1 1052 . 1 1 A 88 88 ILE HA H 130 5.015 4.795 0.220 2 1 1062 . 1 1 A 88 88 ILE C C 130 176.481 175.726 0.755 2 1 1063 . 1 1 A 88 88 ILE CA C 130 58.672 59.663 -0.991 2 1 1064 . 1 1 A 88 88 ILE CB C 130 40.391 39.198 1.193 2 1 1068 . 1 1 A 88 88 ILE N N 130 122.487 125.439 -2.952 2 1 1069 . 1 1 A 89 89 GLY H H 131 8.960 8.836 0.124 2 1 1070 . 1 1 A 89 89 GLY HA2 H 131 4.543 3.184 1.359 2 1 1071 . 1 1 A 89 89 GLY HA3 H 131 3.488 3.741 -0.253 2 1 1072 . 1 1 A 89 89 GLY C C 131 171.936 172.049 -0.113 2 1 1073 . 1 1 A 89 89 GLY CA C 131 44.610 44.904 -0.294 2 1 1074 . 1 1 A 89 89 GLY N N 131 115.300 115.650 -0.350 2 1 1075 . 1 1 A 90 90 LEU H H 132 8.610 8.835 -0.225 2 1 1076 . 1 1 A 90 90 LEU HA H 132 5.061 4.713 0.348 2 1 1086 . 1 1 A 90 90 LEU C C 132 177.246 176.418 0.828 2 1 1087 . 1 1 A 90 90 LEU CA C 132 54.453 53.549 0.904 2 1 1088 . 1 1 A 90 90 LEU CB C 132 42.735 42.017 0.718 2 1 1092 . 1 1 A 90 90 LEU N N 132 124.560 124.610 -0.050 2 1 1093 . 1 1 A 91 91 VAL H H 133 8.630 8.544 0.086 2 1 1094 . 1 1 A 91 91 VAL HA H 133 4.299 3.968 0.331 2 1 1102 . 1 1 A 91 91 VAL C C 133 176.296 176.848 -0.552 2 1 1103 . 1 1 A 91 91 VAL CA C 133 61.953 63.538 -1.585 2 1 1104 . 1 1 A 91 91 VAL CB C 133 33.360 31.902 1.458 2 1 1107 . 1 1 A 91 91 VAL N N 133 123.280 126.261 -2.981 2 1 1108 . 1 1 A 92 92 GLY H H 134 8.620 9.009 -0.389 2 1 1109 . 1 1 A 92 92 GLY HA2 H 134 4.154 4.051 0.103 2 1 1110 . 1 1 A 92 92 GLY HA3 H 134 4.007 4.058 -0.051 2 1 1111 . 1 1 A 92 92 GLY C C 134 174.157 174.319 -0.162 2 1 1112 . 1 1 A 92 92 GLY CA C 134 45.097 46.043 -0.946 2 1 1113 . 1 1 A 92 92 GLY N N 134 112.500 116.350 -3.850 2 1 1114 . 1 1 A 93 93 GLU H H 135 8.278 8.350 -0.072 2 1 1115 . 1 1 A 93 93 GLU HA H 135 4.387 4.434 -0.047 2 1 1120 . 1 1 A 93 93 GLU C C 135 176.500 175.408 1.092 2 1 1121 . 1 1 A 93 93 GLU CA C 135 56.797 55.921 0.876 2 1 1122 . 1 1 A 93 93 GLU CB C 135 29.141 29.071 0.070 2 1 1124 . 1 1 A 93 93 GLU N N 135 119.460 120.833 -1.373 2 1 1125 . 1 1 A 94 94 GLU H H 136 8.680 8.083 0.597 2 1 1126 . 1 1 A 94 94 GLU HA H 136 4.387 4.581 -0.194 2 1 1131 . 1 1 A 94 94 GLU C C 136 176.970 175.201 1.769 2 1 1132 . 1 1 A 94 94 GLU CA C 136 56.797 55.917 0.880 2 1 1133 . 1 1 A 94 94 GLU CB C 136 29.141 30.526 -1.385 2 1 1135 . 1 1 A 94 94 GLU N N 136 121.740 122.120 -0.380 2 1 1136 . 1 1 A 95 95 THR H H 137 8.221 8.511 -0.290 2 1 1137 . 1 1 A 95 95 THR HA H 137 4.228 4.809 -0.581 2 1 1142 . 1 1 A 95 95 THR C C 137 174.880 173.483 1.397 2 1 1143 . 1 1 A 95 95 THR CA C 137 62.422 61.294 1.128 2 1 1144 . 1 1 A 95 95 THR CB C 137 69.454 70.133 -0.679 2 1 1146 . 1 1 A 95 95 THR N N 137 115.380 118.622 -3.242 2 1 1147 . 1 1 A 96 96 ALA H H 138 8.311 8.476 -0.165 2 1 1148 . 1 1 A 96 96 ALA HA H 138 4.233 4.843 -0.610 2 1 1152 . 1 1 A 96 96 ALA C C 138 178.469 175.895 2.574 2 1 1153 . 1 1 A 96 96 ALA CA C 138 53.516 51.423 2.093 2 1 1154 . 1 1 A 96 96 ALA CB C 138 18.828 22.437 -3.609 2 1 1155 . 1 1 A 96 96 ALA N N 138 125.688 125.752 -0.064 2 1 1156 . 1 1 A 97 97 LYS H H 139 8.210 8.677 -0.467 2 1 1157 . 1 1 A 97 97 LYS HA H 139 4.163 4.661 -0.498 2 1 1166 . 1 1 A 97 97 LYS C C 139 177.154 175.054 2.100 2 1 1167 . 1 1 A 97 97 LYS CA C 139 57.265 56.040 1.225 2 1 1168 . 1 1 A 97 97 LYS CB C 139 32.891 34.722 -1.831 2 1 1172 . 1 1 A 97 97 LYS N N 139 120.110 119.332 0.778 2 1 1173 . 1 1 A 98 98 ALA H H 140 8.170 8.566 -0.396 2 1 1174 . 1 1 A 98 98 ALA HA H 140 4.209 4.876 -0.667 2 1 1178 . 1 1 A 98 98 ALA C C 140 178.469 175.822 2.647 2 1 1179 . 1 1 A 98 98 ALA CA C 140 53.516 51.395 2.121 2 1 1180 . 1 1 A 98 98 ALA CB C 140 18.828 22.334 -3.506 2 1 1181 . 1 1 A 98 98 ALA N N 140 124.210 124.892 -0.682 2 stop_ save_