data_16398_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16398 _Entry.PDB_ID 2KND _Entry.NMR_STAR_version 3.0.9.100 save_ save_delta_chem_shifts_single _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single _Entity_delta_chem_shifts.Conformer_type "single" _Entity_delta_chem_shifts.Conformer_count 20 _Entity_delta_chem_shifts.Best_conformer 1 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Conformer_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entity_delta_chem_shifts_ID 1 7 . 1 1 1 A 2 2 ASP H H 2 8.644 7.826 0.818 1 1 8 . 1 1 1 A 2 2 ASP HA H 2 4.373 4.922 -0.549 1 1 11 . 1 1 1 A 2 2 ASP C C 2 178.938 175.579 3.359 1 1 12 . 1 1 1 A 2 2 ASP CA C 2 53.794 53.079 0.715 1 1 13 . 1 1 1 A 2 2 ASP CB C 2 41.025 41.071 -0.046 1 1 14 . 1 1 1 A 2 2 ASP N N 2 122.106 114.313 7.793 1 1 15 . 1 1 1 A 3 3 SER H H 3 8.508 7.681 0.827 1 1 16 . 1 1 1 A 3 3 SER HA H 3 4.331 4.386 -0.055 1 1 19 . 1 1 1 A 3 3 SER C C 3 174.777 174.347 0.430 1 1 20 . 1 1 1 A 3 3 SER CA C 3 58.141 59.532 -1.391 1 1 21 . 1 1 1 A 3 3 SER CB C 3 63.359 62.940 0.419 1 1 22 . 1 1 1 A 3 3 SER N N 3 117.604 115.458 2.146 1 1 23 . 1 1 1 A 4 4 GLY H H 4 8.603 8.674 -0.071 1 1 24 . 1 1 1 A 4 4 GLY HA2 H 4 4.130 4.180 -0.050 1 1 25 . 1 1 1 A 4 4 GLY HA3 H 4 4.076 4.186 -0.110 1 1 26 . 1 1 1 A 4 4 GLY C C 4 174.283 172.585 1.698 1 1 27 . 1 1 1 A 4 4 GLY CA C 4 45.054 44.304 0.750 1 1 28 . 1 1 1 A 4 4 GLY N N 4 111.842 109.536 2.306 1 1 29 . 1 1 1 A 5 5 THR H H 5 8.140 8.545 -0.405 1 1 30 . 1 1 1 A 5 5 THR HA H 5 4.371 4.727 -0.356 1 1 35 . 1 1 1 A 5 5 THR C C 5 174.827 173.338 1.489 1 1 36 . 1 1 1 A 5 5 THR CA C 5 61.515 61.061 0.454 1 1 37 . 1 1 1 A 5 5 THR CB C 5 69.683 71.776 -2.093 1 1 39 . 1 1 1 A 5 5 THR N N 5 112.188 114.114 -1.926 1 1 40 . 1 1 1 A 6 6 GLY H H 6 8.425 8.203 0.222 1 1 41 . 1 1 1 A 6 6 GLY HA2 H 6 4.109 4.098 0.011 1 1 42 . 1 1 1 A 6 6 GLY HA3 H 6 3.875 4.112 -0.237 1 1 43 . 1 1 1 A 6 6 GLY C C 6 173.670 174.316 -0.646 1 1 44 . 1 1 1 A 6 6 GLY CA C 6 44.466 45.358 -0.892 1 1 45 . 1 1 1 A 6 6 GLY N N 6 110.955 112.650 -1.695 1 1 46 . 1 1 1 A 7 7 LEU H H 7 7.993 7.204 0.789 1 1 47 . 1 1 1 A 7 7 LEU HA H 7 4.503 4.090 0.413 1 1 53 . 1 1 1 A 7 7 LEU C C 7 177.284 176.558 0.726 1 1 54 . 1 1 1 A 7 7 LEU CA C 7 54.741 55.861 -1.120 1 1 55 . 1 1 1 A 7 7 LEU CB C 7 39.284 42.443 -3.159 1 1 58 . 1 1 1 A 7 7 LEU N N 7 121.268 121.703 -0.435 1 1 59 . 1 1 1 A 8 8 THR H H 8 10.385 8.323 2.062 1 1 60 . 1 1 1 A 8 8 THR HA H 8 4.521 3.528 0.993 1 1 65 . 1 1 1 A 8 8 THR C C 8 176.965 173.812 3.153 1 1 66 . 1 1 1 A 8 8 THR CA C 8 64.563 61.030 3.533 1 1 67 . 1 1 1 A 8 8 THR CB C 8 71.946 70.116 1.830 1 1 69 . 1 1 1 A 8 8 THR N N 8 113.472 117.192 -3.720 1 1 70 . 1 1 1 A 9 9 GLY H H 9 9.733 7.395 2.338 1 1 71 . 1 1 1 A 9 9 GLY HA2 H 9 4.391 3.766 0.625 1 1 72 . 1 1 1 A 9 9 GLY HA3 H 9 3.805 3.891 -0.086 1 1 73 . 1 1 1 A 9 9 GLY C C 9 173.133 174.838 -1.705 1 1 74 . 1 1 1 A 9 9 GLY CA C 9 45.453 46.882 -1.429 1 1 75 . 1 1 1 A 9 9 GLY N N 9 114.948 109.558 5.390 1 1 76 . 1 1 1 A 10 10 ASN H H 10 7.664 7.570 0.094 1 1 77 . 1 1 1 A 10 10 ASN HA H 10 4.906 4.392 0.514 1 1 82 . 1 1 1 A 10 10 ASN C C 10 173.098 175.087 -1.989 1 1 83 . 1 1 1 A 10 10 ASN CA C 10 51.504 55.995 -4.491 1 1 84 . 1 1 1 A 10 10 ASN CB C 10 38.449 38.624 -0.175 1 1 85 . 1 1 1 A 10 10 ASN N N 10 120.991 117.209 3.782 1 1 87 . 1 1 1 A 11 11 TYR H H 11 8.892 7.603 1.289 1 1 88 . 1 1 1 A 11 11 TYR HA H 11 3.767 4.714 -0.947 1 1 91 . 1 1 1 A 11 11 TYR C C 11 177.871 175.345 2.526 1 1 92 . 1 1 1 A 11 11 TYR CA C 11 61.897 57.201 4.696 1 1 93 . 1 1 1 A 11 11 TYR CB C 11 38.099 39.744 -1.645 1 1 94 . 1 1 1 A 11 11 TYR N N 11 128.653 115.474 13.179 1 1 95 . 1 1 1 A 12 12 SER H H 12 8.729 8.905 -0.176 1 1 96 . 1 1 1 A 12 12 SER HA H 12 3.747 4.233 -0.486 1 1 99 . 1 1 1 A 12 12 SER C C 12 174.675 176.812 -2.137 1 1 100 . 1 1 1 A 12 12 SER CA C 12 62.371 61.527 0.844 1 1 101 . 1 1 1 A 12 12 SER CB C 12 61.600 63.045 -1.445 1 1 102 . 1 1 1 A 12 12 SER N N 12 119.446 120.026 -0.580 1 1 103 . 1 1 1 A 13 13 GLN H H 13 7.645 8.159 -0.514 1 1 104 . 1 1 1 A 13 13 GLN HA H 13 3.955 4.125 -0.170 1 1 110 . 1 1 1 A 13 13 GLN C C 13 178.400 177.694 0.706 1 1 111 . 1 1 1 A 13 13 GLN CA C 13 58.083 58.507 -0.424 1 1 112 . 1 1 1 A 13 13 GLN CB C 13 28.328 28.781 -0.453 1 1 114 . 1 1 1 A 13 13 GLN N N 13 121.234 118.446 2.788 1 1 116 . 1 1 1 A 14 14 ASP H H 14 9.314 7.877 1.437 1 1 117 . 1 1 1 A 14 14 ASP HA H 14 4.513 4.442 0.071 1 1 120 . 1 1 1 A 14 14 ASP C C 14 177.320 178.938 -1.618 1 1 121 . 1 1 1 A 14 14 ASP CA C 14 56.778 56.933 -0.155 1 1 122 . 1 1 1 A 14 14 ASP CB C 14 40.380 40.746 -0.366 1 1 123 . 1 1 1 A 14 14 ASP N N 14 120.095 120.674 -0.579 1 1 124 . 1 1 1 A 15 15 THR H H 15 8.283 7.966 0.317 1 1 125 . 1 1 1 A 15 15 THR HA H 15 3.637 3.966 -0.329 1 1 130 . 1 1 1 A 15 15 THR C C 15 174.455 177.073 -2.618 1 1 131 . 1 1 1 A 15 15 THR CA C 15 67.657 67.269 0.388 1 1 132 . 1 1 1 A 15 15 THR CB C 15 67.465 68.440 -0.975 1 1 134 . 1 1 1 A 15 15 THR N N 15 117.657 116.278 1.379 1 1 135 . 1 1 1 A 16 16 LEU H H 16 7.452 7.726 -0.274 1 1 136 . 1 1 1 A 16 16 LEU HA H 16 3.919 3.968 -0.049 1 1 140 . 1 1 1 A 16 16 LEU C C 16 179.666 179.208 0.458 1 1 141 . 1 1 1 A 16 16 LEU CA C 16 57.864 57.918 -0.054 1 1 142 . 1 1 1 A 16 16 LEU CB C 16 39.811 40.978 -1.167 1 1 144 . 1 1 1 A 16 16 LEU N N 16 120.034 117.820 2.214 1 1 145 . 1 1 1 A 17 17 THR H H 17 8.708 7.871 0.837 1 1 146 . 1 1 1 A 17 17 THR HA H 17 3.893 3.975 -0.082 1 1 151 . 1 1 1 A 17 17 THR C C 17 179.666 176.680 2.986 1 1 152 . 1 1 1 A 17 17 THR CA C 17 66.152 66.848 -0.696 1 1 153 . 1 1 1 A 17 17 THR CB C 17 67.921 68.480 -0.559 1 1 155 . 1 1 1 A 17 17 THR N N 17 121.382 115.549 5.833 1 1 156 . 1 1 1 A 18 18 VAL H H 18 8.194 8.012 0.182 1 1 157 . 1 1 1 A 18 18 VAL HA H 18 3.705 3.628 0.077 1 1 165 . 1 1 1 A 18 18 VAL C C 18 177.242 177.793 -0.551 1 1 166 . 1 1 1 A 18 18 VAL CA C 18 65.886 66.873 -0.987 1 1 167 . 1 1 1 A 18 18 VAL CB C 18 30.729 31.761 -1.032 1 1 170 . 1 1 1 A 18 18 VAL N N 18 123.227 121.821 1.406 1 1 171 . 1 1 1 A 19 19 ILE H H 19 7.933 8.097 -0.164 1 1 172 . 1 1 1 A 19 19 ILE HA H 19 2.633 3.704 -1.071 1 1 182 . 1 1 1 A 19 19 ILE C C 19 176.276 178.023 -1.747 1 1 183 . 1 1 1 A 19 19 ILE CA C 19 66.137 64.797 1.340 1 1 184 . 1 1 1 A 19 19 ILE CB C 19 37.782 36.864 0.918 1 1 188 . 1 1 1 A 19 19 ILE N N 19 119.786 118.323 1.463 1 1 189 . 1 1 1 A 20 20 ALA H H 20 7.782 8.775 -0.993 1 1 190 . 1 1 1 A 20 20 ALA HA H 20 3.972 4.067 -0.095 1 1 194 . 1 1 1 A 20 20 ALA C C 20 180.867 180.354 0.513 1 1 195 . 1 1 1 A 20 20 ALA CA C 20 55.170 55.051 0.119 1 1 196 . 1 1 1 A 20 20 ALA CB C 20 17.282 18.071 -0.789 1 1 197 . 1 1 1 A 20 20 ALA N N 20 121.793 123.761 -1.968 1 1 198 . 1 1 1 A 21 21 THR H H 21 8.573 7.529 1.044 1 1 199 . 1 1 1 A 21 21 THR HA H 21 3.902 4.018 -0.116 1 1 204 . 1 1 1 A 21 21 THR C C 21 176.720 177.391 -0.671 1 1 205 . 1 1 1 A 21 21 THR CA C 21 65.200 66.448 -1.248 1 1 206 . 1 1 1 A 21 21 THR CB C 21 68.092 68.391 -0.299 1 1 208 . 1 1 1 A 21 21 THR N N 21 118.393 114.781 3.612 1 1 209 . 1 1 1 A 22 22 LEU H H 22 8.583 7.694 0.889 1 1 210 . 1 1 1 A 22 22 LEU HA H 22 4.065 4.027 0.038 1 1 217 . 1 1 1 A 22 22 LEU C C 22 178.284 179.078 -0.794 1 1 218 . 1 1 1 A 22 22 LEU CA C 22 57.005 57.715 -0.710 1 1 219 . 1 1 1 A 22 22 LEU CB C 22 40.209 41.626 -1.417 1 1 223 . 1 1 1 A 22 22 LEU N N 22 122.517 121.948 0.569 1 1 224 . 1 1 1 A 23 23 ARG H H 23 8.858 9.145 -0.287 1 1 225 . 1 1 1 A 23 23 ARG HA H 23 3.873 4.216 -0.343 1 1 230 . 1 1 1 A 23 23 ARG C C 23 178.503 178.749 -0.246 1 1 231 . 1 1 1 A 23 23 ARG CA C 23 60.362 59.571 0.791 1 1 232 . 1 1 1 A 23 23 ARG CB C 23 29.808 29.873 -0.065 1 1 235 . 1 1 1 A 23 23 ARG N N 23 120.502 118.107 2.395 1 1 237 . 1 1 1 A 24 24 GLU H H 24 7.250 7.810 -0.560 1 1 238 . 1 1 1 A 24 24 GLU HA H 24 4.109 4.173 -0.064 1 1 243 . 1 1 1 A 24 24 GLU CA C 24 58.312 58.904 -0.592 1 1 244 . 1 1 1 A 24 24 GLU CB C 24 29.024 29.000 0.024 1 1 246 . 1 1 1 A 24 24 GLU N N 24 117.221 119.303 -2.082 1 1 247 . 1 1 1 A 25 25 ALA H H 25 8.223 7.819 0.404 1 1 248 . 1 1 1 A 25 25 ALA HA H 25 3.983 4.059 -0.076 1 1 252 . 1 1 1 A 25 25 ALA C C 25 180.617 179.891 0.726 1 1 253 . 1 1 1 A 25 25 ALA CA C 25 55.203 55.105 0.098 1 1 254 . 1 1 1 A 25 25 ALA CB C 25 17.657 18.542 -0.885 1 1 255 . 1 1 1 A 25 25 ALA N N 25 121.823 122.506 -0.683 1 1 256 . 1 1 1 A 26 26 ILE H H 26 8.552 7.806 0.746 1 1 257 . 1 1 1 A 26 26 ILE HA H 26 4.144 3.832 0.312 1 1 267 . 1 1 1 A 26 26 ILE C C 26 175.586 175.964 -0.378 1 1 268 . 1 1 1 A 26 26 ILE CA C 26 63.790 63.269 0.521 1 1 269 . 1 1 1 A 26 26 ILE CB C 26 37.496 37.623 -0.127 1 1 273 . 1 1 1 A 26 26 ILE N N 26 112.838 119.208 -6.370 1 1 274 . 1 1 1 A 27 27 ASP H H 27 7.175 8.044 -0.869 1 1 275 . 1 1 1 A 27 27 ASP HA H 27 4.934 4.823 0.111 1 1 278 . 1 1 1 A 27 27 ASP C C 27 175.602 174.455 1.147 1 1 279 . 1 1 1 A 27 27 ASP CA C 27 53.160 53.061 0.099 1 1 280 . 1 1 1 A 27 27 ASP CB C 27 41.754 41.271 0.483 1 1 281 . 1 1 1 A 27 27 ASP N N 27 120.840 121.968 -1.128 1 1 282 . 1 1 1 A 28 28 LEU H H 28 7.136 7.426 -0.290 1 1 283 . 1 1 1 A 28 28 LEU HA H 28 4.510 4.604 -0.094 1 1 290 . 1 1 1 A 28 28 LEU CA C 28 53.379 53.160 0.219 1 1 291 . 1 1 1 A 28 28 LEU CB C 28 42.286 41.800 0.486 1 1 294 . 1 1 1 A 28 28 LEU N N 28 124.155 119.597 4.558 1 1 295 . 1 1 1 A 29 29 PRO HA H 29 4.552 4.525 0.027 1 1 301 . 1 1 1 A 29 29 PRO C C 29 177.414 176.972 0.442 1 1 302 . 1 1 1 A 29 29 PRO CA C 29 62.506 62.874 -0.368 1 1 303 . 1 1 1 A 29 29 PRO CB C 29 32.263 32.636 -0.373 1 1 305 . 1 1 1 A 30 30 GLN H H 30 8.935 8.617 0.318 1 1 306 . 1 1 1 A 30 30 GLN HA H 30 3.966 4.123 -0.157 1 1 311 . 1 1 1 A 30 30 GLN C C 30 175.595 176.738 -1.143 1 1 312 . 1 1 1 A 30 30 GLN CA C 30 58.036 58.139 -0.103 1 1 313 . 1 1 1 A 30 30 GLN CB C 30 28.116 28.464 -0.348 1 1 315 . 1 1 1 A 30 30 GLN N N 30 122.119 121.410 0.709 1 1 317 . 1 1 1 A 31 31 ASP H H 31 8.353 8.060 0.293 1 1 318 . 1 1 1 A 31 31 ASP HA H 31 4.682 4.702 -0.020 1 1 321 . 1 1 1 A 31 31 ASP C C 31 175.518 175.670 -0.152 1 1 322 . 1 1 1 A 31 31 ASP CA C 31 52.178 54.465 -2.287 1 1 323 . 1 1 1 A 31 31 ASP CB C 31 39.270 41.563 -2.293 1 1 324 . 1 1 1 A 31 31 ASP N N 31 115.909 118.431 -2.522 1 1 325 . 1 1 1 A 32 32 ALA H H 32 7.467 7.383 0.084 1 1 326 . 1 1 1 A 32 32 ALA HA H 32 4.564 4.790 -0.226 1 1 330 . 1 1 1 A 32 32 ALA CA C 32 50.496 50.087 0.409 1 1 331 . 1 1 1 A 32 32 ALA CB C 32 17.852 19.020 -1.168 1 1 332 . 1 1 1 A 32 32 ALA N N 32 124.893 122.391 2.502 1 1 333 . 1 1 1 A 33 33 PRO HA H 33 4.494 4.487 0.007 1 1 339 . 1 1 1 A 33 33 PRO C C 33 176.278 175.927 0.351 1 1 340 . 1 1 1 A 33 33 PRO CA C 33 63.894 63.626 0.268 1 1 341 . 1 1 1 A 33 33 PRO CB C 33 31.354 31.075 0.279 1 1 344 . 1 1 1 A 34 34 ASN H H 34 8.577 8.851 -0.274 1 1 345 . 1 1 1 A 34 34 ASN HA H 34 5.041 5.133 -0.092 1 1 350 . 1 1 1 A 34 34 ASN C C 34 174.678 175.970 -1.292 1 1 351 . 1 1 1 A 34 34 ASN CA C 34 51.792 51.702 0.090 1 1 352 . 1 1 1 A 34 34 ASN CB C 34 36.334 38.388 -2.054 1 1 353 . 1 1 1 A 34 34 ASN N N 34 115.598 115.761 -0.163 1 1 355 . 1 1 1 A 35 35 ARG H H 35 7.401 8.602 -1.201 1 1 356 . 1 1 1 A 35 35 ARG HA H 35 3.726 4.135 -0.409 1 1 363 . 1 1 1 A 35 35 ARG C C 35 176.887 178.534 -1.647 1 1 364 . 1 1 1 A 35 35 ARG CA C 35 60.063 59.250 0.813 1 1 365 . 1 1 1 A 35 35 ARG CB C 35 29.571 29.905 -0.334 1 1 368 . 1 1 1 A 35 35 ARG N N 35 119.690 123.474 -3.784 1 1 370 . 1 1 1 A 36 36 GLN H H 36 8.780 8.373 0.407 1 1 371 . 1 1 1 A 36 36 GLN HA H 36 3.805 4.277 -0.472 1 1 377 . 1 1 1 A 36 36 GLN CA C 36 58.618 59.064 -0.446 1 1 378 . 1 1 1 A 36 36 GLN CB C 36 27.595 28.324 -0.729 1 1 380 . 1 1 1 A 36 36 GLN N N 36 119.100 117.745 1.355 1 1 382 . 1 1 1 A 37 37 GLU H H 37 8.128 7.956 0.172 1 1 383 . 1 1 1 A 37 37 GLU HA H 37 4.137 4.105 0.032 1 1 387 . 1 1 1 A 37 37 GLU C C 37 179.222 179.462 -0.240 1 1 388 . 1 1 1 A 37 37 GLU CA C 37 59.336 59.363 -0.027 1 1 389 . 1 1 1 A 37 37 GLU CB C 37 28.781 29.342 -0.561 1 1 391 . 1 1 1 A 37 37 GLU N N 37 120.485 119.891 0.594 1 1 392 . 1 1 1 A 38 38 VAL H H 38 8.127 7.593 0.534 1 1 393 . 1 1 1 A 38 38 VAL HA H 38 3.708 3.673 0.035 1 1 401 . 1 1 1 A 38 38 VAL C C 38 178.246 177.960 0.286 1 1 402 . 1 1 1 A 38 38 VAL CA C 38 66.019 66.515 -0.496 1 1 403 . 1 1 1 A 38 38 VAL CB C 38 31.008 31.587 -0.579 1 1 406 . 1 1 1 A 38 38 VAL N N 38 121.937 120.600 1.337 1 1 407 . 1 1 1 A 39 39 GLN H H 39 8.324 8.233 0.091 1 1 408 . 1 1 1 A 39 39 GLN HA H 39 3.764 4.018 -0.254 1 1 415 . 1 1 1 A 39 39 GLN C C 39 177.642 177.748 -0.106 1 1 416 . 1 1 1 A 39 39 GLN CA C 39 59.019 58.955 0.064 1 1 417 . 1 1 1 A 39 39 GLN CB C 39 27.176 28.351 -1.175 1 1 419 . 1 1 1 A 39 39 GLN N N 39 120.203 120.240 -0.037 1 1 421 . 1 1 1 A 40 40 ASP H H 40 8.699 8.619 0.080 1 1 422 . 1 1 1 A 40 40 ASP HA H 40 4.391 4.351 0.040 1 1 425 . 1 1 1 A 40 40 ASP C C 40 179.726 178.593 1.133 1 1 426 . 1 1 1 A 40 40 ASP CA C 40 57.267 57.589 -0.322 1 1 427 . 1 1 1 A 40 40 ASP CB C 40 39.458 41.610 -2.152 1 1 428 . 1 1 1 A 40 40 ASP N N 40 121.604 120.073 1.531 1 1 429 . 1 1 1 A 41 41 THR H H 41 8.449 7.769 0.680 1 1 430 . 1 1 1 A 41 41 THR HA H 41 3.981 3.973 0.008 1 1 435 . 1 1 1 A 41 41 THR CA C 41 66.254 65.985 0.269 1 1 436 . 1 1 1 A 41 41 THR CB C 41 67.937 68.236 -0.299 1 1 437 . 1 1 1 A 41 41 THR N N 41 121.386 116.150 5.236 1 1 438 . 1 1 1 A 42 42 ALA H H 42 8.552 7.723 0.829 1 1 439 . 1 1 1 A 42 42 ALA HA H 42 3.876 3.935 -0.059 1 1 443 . 1 1 1 A 42 42 ALA C C 42 178.300 180.358 -2.058 1 1 444 . 1 1 1 A 42 42 ALA CA C 42 55.244 55.246 -0.002 1 1 445 . 1 1 1 A 42 42 ALA CB C 42 17.295 18.081 -0.786 1 1 446 . 1 1 1 A 42 42 ALA N N 42 126.245 123.564 2.681 1 1 447 . 1 1 1 A 43 43 ARG H H 43 8.553 8.080 0.473 1 1 448 . 1 1 1 A 43 43 ARG HA H 43 3.923 4.178 -0.255 1 1 451 . 1 1 1 A 43 43 ARG C C 43 178.522 179.955 -1.433 1 1 452 . 1 1 1 A 43 43 ARG CA C 43 59.680 59.699 -0.019 1 1 453 . 1 1 1 A 43 43 ARG CB C 43 29.887 29.828 0.059 1 1 454 . 1 1 1 A 43 43 ARG N N 43 117.705 118.242 -0.537 1 1 455 . 1 1 1 A 44 44 GLY H H 44 8.049 8.048 0.001 1 1 456 . 1 1 1 A 44 44 GLY HA2 H 44 4.066 3.795 0.271 1 1 457 . 1 1 1 A 44 44 GLY HA3 H 44 3.972 3.800 0.172 1 1 458 . 1 1 1 A 44 44 GLY CA C 44 46.710 47.468 -0.758 1 1 459 . 1 1 1 A 44 44 GLY N N 44 106.443 107.284 -0.841 1 1 460 . 1 1 1 A 45 45 GLN H H 45 8.305 7.675 0.630 1 1 461 . 1 1 1 A 45 45 GLN HA H 45 4.204 4.079 0.125 1 1 466 . 1 1 1 A 45 45 GLN C C 45 177.942 178.565 -0.623 1 1 467 . 1 1 1 A 45 45 GLN CA C 45 59.930 58.668 1.262 1 1 468 . 1 1 1 A 45 45 GLN CB C 45 28.520 28.469 0.051 1 1 470 . 1 1 1 A 45 45 GLN N N 45 123.780 120.887 2.893 1 1 472 . 1 1 1 A 46 46 ILE H H 46 8.673 8.013 0.660 1 1 473 . 1 1 1 A 46 46 ILE HA H 46 3.594 3.638 -0.044 1 1 483 . 1 1 1 A 46 46 ILE C C 46 176.649 177.903 -1.254 1 1 484 . 1 1 1 A 46 46 ILE CA C 46 66.299 65.690 0.609 1 1 485 . 1 1 1 A 46 46 ILE CB C 46 37.762 37.866 -0.104 1 1 489 . 1 1 1 A 46 46 ILE N N 46 120.050 121.009 -0.959 1 1 490 . 1 1 1 A 47 47 ASN H H 47 7.866 8.185 -0.319 1 1 491 . 1 1 1 A 47 47 ASN HA H 47 4.525 4.502 0.023 1 1 495 . 1 1 1 A 47 47 ASN C C 47 176.649 178.178 -1.529 1 1 496 . 1 1 1 A 47 47 ASN CA C 47 55.703 56.399 -0.696 1 1 497 . 1 1 1 A 47 47 ASN CB C 47 37.925 38.370 -0.445 1 1 498 . 1 1 1 A 47 47 ASN N N 47 116.444 117.933 -1.489 1 1 500 . 1 1 1 A 48 48 ASP H H 48 8.185 7.790 0.395 1 1 501 . 1 1 1 A 48 48 ASP HA H 48 4.460 4.674 -0.214 1 1 504 . 1 1 1 A 48 48 ASP C C 48 176.285 178.065 -1.780 1 1 505 . 1 1 1 A 48 48 ASP CA C 48 56.635 57.414 -0.779 1 1 506 . 1 1 1 A 48 48 ASP CB C 48 41.593 41.326 0.267 1 1 507 . 1 1 1 A 48 48 ASP N N 48 121.725 119.657 2.068 1 1 508 . 1 1 1 A 49 49 TYR H H 49 8.756 8.813 -0.057 1 1 509 . 1 1 1 A 49 49 TYR HA H 49 3.892 4.379 -0.487 1 1 512 . 1 1 1 A 49 49 TYR C C 49 176.432 177.048 -0.616 1 1 513 . 1 1 1 A 49 49 TYR CA C 49 62.617 61.602 1.015 1 1 514 . 1 1 1 A 49 49 TYR CB C 49 39.188 38.680 0.508 1 1 515 . 1 1 1 A 49 49 TYR N N 49 121.005 121.326 -0.321 1 1 516 . 1 1 1 A 50 50 ILE H H 50 8.481 8.948 -0.467 1 1 517 . 1 1 1 A 50 50 ILE HA H 50 3.901 4.031 -0.130 1 1 527 . 1 1 1 A 50 50 ILE C C 50 177.407 177.023 0.384 1 1 528 . 1 1 1 A 50 50 ILE CA C 50 63.893 64.114 -0.221 1 1 529 . 1 1 1 A 50 50 ILE CB C 50 36.668 38.516 -1.848 1 1 533 . 1 1 1 A 50 50 ILE N N 50 117.237 120.556 -3.319 1 1 534 . 1 1 1 A 51 51 SER H H 51 7.870 8.204 -0.334 1 1 535 . 1 1 1 A 51 51 SER HA H 51 4.203 4.749 -0.546 1 1 538 . 1 1 1 A 51 51 SER C C 51 177.413 174.341 3.072 1 1 539 . 1 1 1 A 51 51 SER CA C 51 61.003 57.548 3.455 1 1 540 . 1 1 1 A 51 51 SER CB C 51 62.711 64.106 -1.395 1 1 541 . 1 1 1 A 51 51 SER N N 51 113.635 115.018 -1.383 1 1 542 . 1 1 1 A 52 52 ARG H H 52 8.386 7.958 0.428 1 1 543 . 1 1 1 A 52 52 ARG HA H 52 3.816 4.594 -0.778 1 1 551 . 1 1 1 A 52 52 ARG C C 52 178.788 175.116 3.672 1 1 552 . 1 1 1 A 52 52 ARG CA C 52 58.343 57.274 1.069 1 1 553 . 1 1 1 A 52 52 ARG CB C 52 30.053 32.843 -2.790 1 1 556 . 1 1 1 A 52 52 ARG N N 52 120.787 121.293 -0.506 1 1 558 . 1 1 1 A 53 53 TYR H H 53 7.428 7.966 -0.538 1 1 559 . 1 1 1 A 53 53 TYR HA H 53 4.667 4.713 -0.046 1 1 562 . 1 1 1 A 53 53 TYR C C 53 174.743 175.230 -0.487 1 1 563 . 1 1 1 A 53 53 TYR CA C 53 57.922 56.661 1.261 1 1 564 . 1 1 1 A 53 53 TYR CB C 53 38.030 38.337 -0.307 1 1 565 . 1 1 1 A 53 53 TYR N N 53 115.269 118.645 -3.376 1 1 566 . 1 1 1 A 54 54 ARG H H 54 7.775 8.011 -0.236 1 1 567 . 1 1 1 A 54 54 ARG HA H 54 4.249 4.393 -0.144 1 1 570 . 1 1 1 A 54 54 ARG C C 54 177.121 176.941 0.180 1 1 571 . 1 1 1 A 54 54 ARG CA C 54 58.720 58.187 0.533 1 1 572 . 1 1 1 A 54 54 ARG CB C 54 29.345 30.156 -0.811 1 1 573 . 1 1 1 A 54 54 ARG N N 54 120.518 123.957 -3.439 1 1 574 . 1 1 1 A 55 55 ARG H H 55 8.319 7.546 0.773 1 1 575 . 1 1 1 A 55 55 ARG HA H 55 4.249 4.284 -0.035 1 1 577 . 1 1 1 A 55 55 ARG C C 55 177.395 175.729 1.666 1 1 578 . 1 1 1 A 55 55 ARG CA C 55 56.766 56.638 0.128 1 1 579 . 1 1 1 A 55 55 ARG CB C 55 29.231 30.948 -1.717 1 1 580 . 1 1 1 A 55 55 ARG N N 55 119.094 120.948 -1.854 1 1 581 . 1 1 1 A 56 56 LYS H H 56 8.062 8.355 -0.293 1 1 582 . 1 1 1 A 56 56 LYS HA H 56 4.069 4.652 -0.583 1 1 588 . 1 1 1 A 56 56 LYS C C 56 177.177 174.652 2.525 1 1 589 . 1 1 1 A 56 56 LYS CA C 56 56.740 55.025 1.715 1 1 590 . 1 1 1 A 56 56 LYS CB C 56 31.291 34.636 -3.345 1 1 594 . 1 1 1 A 56 56 LYS N N 56 121.271 121.720 -0.449 1 1 595 . 1 1 1 A 57 57 GLY H H 57 8.138 8.339 -0.201 1 1 596 . 1 1 1 A 57 57 GLY HA2 H 57 4.055 4.029 0.026 1 1 597 . 1 1 1 A 57 57 GLY HA3 H 57 3.766 4.100 -0.334 1 1 598 . 1 1 1 A 57 57 GLY C C 57 174.196 172.680 1.516 1 1 599 . 1 1 1 A 57 57 GLY CA C 57 45.336 46.316 -0.980 1 1 600 . 1 1 1 A 57 57 GLY N N 57 108.747 110.999 -2.252 1 1 601 . 1 1 1 A 58 58 ASP H H 58 7.937 8.230 -0.293 1 1 602 . 1 1 1 A 58 58 ASP HA H 58 4.571 4.544 0.027 1 1 604 . 1 1 1 A 58 58 ASP CA C 58 54.548 53.098 1.450 1 1 605 . 1 1 1 A 58 58 ASP CB C 58 40.254 40.270 -0.016 1 1 606 . 1 1 1 A 58 58 ASP N N 58 121.456 123.765 -2.309 1 1 607 . 1 1 1 A 59 59 ALA H H 59 8.150 8.289 -0.139 1 1 608 . 1 1 1 A 59 59 ALA HA H 59 4.178 4.149 0.029 1 1 612 . 1 1 1 A 59 59 ALA C C 59 177.927 177.943 -0.016 1 1 613 . 1 1 1 A 59 59 ALA CA C 59 52.751 52.601 0.150 1 1 614 . 1 1 1 A 59 59 ALA CB C 59 18.062 19.627 -1.565 1 1 615 . 1 1 1 A 59 59 ALA N N 59 123.316 128.870 -5.554 1 1 616 . 1 1 1 A 60 60 GLY H H 60 8.190 8.428 -0.238 1 1 617 . 1 1 1 A 60 60 GLY HA2 H 60 3.954 3.975 -0.021 1 1 618 . 1 1 1 A 60 60 GLY HA3 H 60 3.962 3.976 -0.014 1 1 619 . 1 1 1 A 60 60 GLY C C 60 174.572 174.795 -0.223 1 1 620 . 1 1 1 A 60 60 GLY CA C 60 45.301 45.869 -0.568 1 1 621 . 1 1 1 A 60 60 GLY N N 60 107.588 106.047 1.541 1 1 622 . 1 1 1 A 61 61 GLY H H 61 8.014 8.093 -0.079 1 1 623 . 1 1 1 A 61 61 GLY HA2 H 61 4.068 4.132 -0.064 1 1 624 . 1 1 1 A 61 61 GLY HA3 H 61 3.882 4.136 -0.254 1 1 625 . 1 1 1 A 61 61 GLY C C 61 173.560 174.298 -0.738 1 1 626 . 1 1 1 A 61 61 GLY CA C 61 44.784 45.382 -0.598 1 1 627 . 1 1 1 A 61 61 GLY N N 61 108.839 105.909 2.930 1 1 628 . 1 1 1 A 62 62 LEU H H 62 8.038 7.385 0.653 1 1 629 . 1 1 1 A 62 62 LEU HA H 62 4.528 4.176 0.352 1 1 636 . 1 1 1 A 62 62 LEU C C 62 177.058 177.733 -0.675 1 1 637 . 1 1 1 A 62 62 LEU CA C 62 54.038 55.644 -1.606 1 1 638 . 1 1 1 A 62 62 LEU CB C 62 42.254 42.489 -0.235 1 1 641 . 1 1 1 A 62 62 LEU N N 62 122.191 121.796 0.395 1 1 642 . 1 1 1 A 63 63 LYS H H 63 9.378 8.969 0.409 1 1 643 . 1 1 1 A 63 63 LYS HA H 63 4.223 4.159 0.064 1 1 647 . 1 1 1 A 63 63 LYS C C 63 179.928 178.255 1.673 1 1 648 . 1 1 1 A 63 63 LYS CA C 63 58.665 58.359 0.306 1 1 649 . 1 1 1 A 63 63 LYS CB C 63 31.663 32.205 -0.542 1 1 651 . 1 1 1 A 63 63 LYS N N 63 129.582 128.821 0.761 1 1 652 . 1 1 1 A 64 64 SER H H 64 10.250 8.090 2.160 1 1 653 . 1 1 1 A 64 64 SER HA H 64 4.169 4.411 -0.242 1 1 656 . 1 1 1 A 64 64 SER C C 64 175.569 176.543 -0.974 1 1 657 . 1 1 1 A 64 64 SER CA C 64 61.010 61.755 -0.745 1 1 658 . 1 1 1 A 64 64 SER N N 64 117.647 114.900 2.747 1 1 659 . 1 1 1 A 65 65 PHE H H 65 7.035 8.312 -1.277 1 1 660 . 1 1 1 A 65 65 PHE HA H 65 4.444 4.104 0.340 1 1 663 . 1 1 1 A 65 65 PHE C C 65 176.884 176.878 0.006 1 1 664 . 1 1 1 A 65 65 PHE CA C 65 61.911 61.775 0.136 1 1 665 . 1 1 1 A 65 65 PHE CB C 65 38.861 39.120 -0.259 1 1 666 . 1 1 1 A 65 65 PHE N N 65 123.056 123.081 -0.025 1 1 667 . 1 1 1 A 66 66 THR H H 66 8.475 7.833 0.642 1 1 668 . 1 1 1 A 66 66 THR HA H 66 3.932 3.916 0.016 1 1 673 . 1 1 1 A 66 66 THR C C 66 176.884 176.576 0.308 1 1 674 . 1 1 1 A 66 66 THR CA C 66 66.236 66.337 -0.101 1 1 675 . 1 1 1 A 66 66 THR CB C 66 67.993 68.288 -0.295 1 1 677 . 1 1 1 A 66 66 THR N N 66 115.996 114.508 1.488 1 1 678 . 1 1 1 A 67 67 THR H H 67 8.100 7.722 0.378 1 1 679 . 1 1 1 A 67 67 THR HA H 67 3.979 3.928 0.051 1 1 684 . 1 1 1 A 67 67 THR CA C 67 66.516 66.196 0.320 1 1 685 . 1 1 1 A 67 67 THR CB C 67 68.188 68.359 -0.171 1 1 687 . 1 1 1 A 67 67 THR N N 67 120.365 116.103 4.262 1 1 688 . 1 1 1 A 68 68 MET H H 68 8.134 7.895 0.239 1 1 689 . 1 1 1 A 68 68 MET HA H 68 4.429 3.871 0.558 1 1 697 . 1 1 1 A 68 68 MET C C 68 177.682 178.685 -1.003 1 1 698 . 1 1 1 A 68 68 MET CA C 68 56.239 58.895 -2.656 1 1 699 . 1 1 1 A 68 68 MET CB C 68 30.516 32.096 -1.580 1 1 702 . 1 1 1 A 68 68 MET N N 68 120.545 119.204 1.341 1 1 703 . 1 1 1 A 69 69 GLN H H 69 9.139 6.946 2.193 1 1 704 . 1 1 1 A 69 69 GLN HA H 69 3.694 4.066 -0.372 1 1 711 . 1 1 1 A 69 69 GLN C C 69 177.433 178.602 -1.169 1 1 712 . 1 1 1 A 69 69 GLN CA C 69 59.779 58.317 1.462 1 1 713 . 1 1 1 A 69 69 GLN CB C 69 28.547 28.096 0.451 1 1 715 . 1 1 1 A 69 69 GLN N N 69 120.358 118.682 1.676 1 1 717 . 1 1 1 A 70 70 THR H H 70 7.809 7.585 0.224 1 1 718 . 1 1 1 A 70 70 THR HA H 70 3.979 3.852 0.127 1 1 723 . 1 1 1 A 70 70 THR C C 70 176.394 176.326 0.068 1 1 724 . 1 1 1 A 70 70 THR CA C 70 66.028 66.653 -0.625 1 1 725 . 1 1 1 A 70 70 THR CB C 70 68.198 68.693 -0.495 1 1 727 . 1 1 1 A 70 70 THR N N 70 116.198 118.187 -1.989 1 1 728 . 1 1 1 A 71 71 ALA H H 71 7.859 8.793 -0.934 1 1 729 . 1 1 1 A 71 71 ALA HA H 71 3.994 4.198 -0.204 1 1 733 . 1 1 1 A 71 71 ALA CA C 71 54.902 55.024 -0.122 1 1 734 . 1 1 1 A 71 71 ALA CB C 71 17.926 18.129 -0.203 1 1 735 . 1 1 1 A 71 71 ALA N N 71 126.667 124.274 2.393 1 1 736 . 1 1 1 A 72 72 LEU H H 72 9.261 7.903 1.358 1 1 737 . 1 1 1 A 72 72 LEU HA H 72 3.915 3.863 0.052 1 1 743 . 1 1 1 A 72 72 LEU C C 72 179.219 179.308 -0.089 1 1 744 . 1 1 1 A 72 72 LEU CA C 72 58.406 58.066 0.340 1 1 745 . 1 1 1 A 72 72 LEU CB C 72 38.744 41.807 -3.063 1 1 747 . 1 1 1 A 72 72 LEU N N 72 119.657 119.572 0.085 1 1 748 . 1 1 1 A 73 73 ASN H H 73 8.542 7.949 0.593 1 1 749 . 1 1 1 A 73 73 ASN HA H 73 4.606 4.447 0.159 1 1 754 . 1 1 1 A 73 73 ASN CA C 73 55.711 56.353 -0.642 1 1 755 . 1 1 1 A 73 73 ASN CB C 73 37.398 37.752 -0.354 1 1 756 . 1 1 1 A 73 73 ASN N N 73 118.851 117.868 0.983 1 1 758 . 1 1 1 A 74 74 SER H H 74 7.849 7.547 0.302 1 1 759 . 1 1 1 A 74 74 SER HA H 74 4.379 4.165 0.214 1 1 762 . 1 1 1 A 74 74 SER C C 74 175.881 176.055 -0.174 1 1 763 . 1 1 1 A 74 74 SER CA C 74 61.405 62.356 -0.951 1 1 764 . 1 1 1 A 74 74 SER N N 74 118.042 116.877 1.165 1 1 765 . 1 1 1 A 75 75 LEU H H 75 8.084 9.173 -1.089 1 1 766 . 1 1 1 A 75 75 LEU HA H 75 4.181 4.005 0.176 1 1 773 . 1 1 1 A 75 75 LEU C C 75 176.899 178.908 -2.009 1 1 774 . 1 1 1 A 75 75 LEU CA C 75 56.746 58.230 -1.484 1 1 775 . 1 1 1 A 75 75 LEU CB C 75 41.896 41.813 0.083 1 1 777 . 1 1 1 A 75 75 LEU N N 75 124.099 121.805 2.294 1 1 778 . 1 1 1 A 76 76 ALA H H 76 8.695 8.013 0.682 1 1 779 . 1 1 1 A 76 76 ALA HA H 76 4.134 4.056 0.078 1 1 783 . 1 1 1 A 76 76 ALA C C 76 180.159 180.144 0.015 1 1 784 . 1 1 1 A 76 76 ALA CA C 76 55.315 55.156 0.159 1 1 785 . 1 1 1 A 76 76 ALA CB C 76 17.624 18.233 -0.609 1 1 786 . 1 1 1 A 76 76 ALA N N 76 121.934 119.989 1.945 1 1 787 . 1 1 1 A 77 77 GLY H H 77 8.198 8.722 -0.524 1 1 788 . 1 1 1 A 77 77 GLY HA2 H 77 3.917 3.614 0.303 1 1 789 . 1 1 1 A 77 77 GLY HA3 H 77 3.925 3.625 0.300 1 1 790 . 1 1 1 A 77 77 GLY C C 77 175.177 175.377 -0.200 1 1 791 . 1 1 1 A 77 77 GLY CA C 77 46.066 47.131 -1.065 1 1 792 . 1 1 1 A 77 77 GLY N N 77 105.613 105.911 -0.298 1 1 793 . 1 1 1 A 78 78 TYR H H 78 7.973 8.622 -0.649 1 1 794 . 1 1 1 A 78 78 TYR HA H 78 4.326 4.147 0.179 1 1 797 . 1 1 1 A 78 78 TYR C C 78 176.705 177.713 -1.008 1 1 798 . 1 1 1 A 78 78 TYR CA C 78 61.280 60.893 0.387 1 1 799 . 1 1 1 A 78 78 TYR CB C 78 37.737 38.413 -0.676 1 1 800 . 1 1 1 A 78 78 TYR N N 78 123.680 123.178 0.502 1 1 801 . 1 1 1 A 79 79 TYR H H 79 8.347 7.612 0.735 1 1 802 . 1 1 1 A 79 79 TYR HA H 79 4.750 3.666 1.084 1 1 805 . 1 1 1 A 79 79 TYR C C 79 178.135 175.830 2.305 1 1 806 . 1 1 1 A 79 79 TYR CA C 79 57.389 59.633 -2.244 1 1 807 . 1 1 1 A 79 79 TYR CB C 79 36.796 37.518 -0.722 1 1 808 . 1 1 1 A 79 79 TYR N N 79 119.870 120.288 -0.418 1 1 809 . 1 1 1 A 80 80 THR H H 80 8.180 7.378 0.802 1 1 810 . 1 1 1 A 80 80 THR HA H 80 4.208 3.817 0.391 1 1 815 . 1 1 1 A 80 80 THR C C 80 175.302 174.885 0.417 1 1 816 . 1 1 1 A 80 80 THR CA C 80 64.276 64.127 0.149 1 1 817 . 1 1 1 A 80 80 THR CB C 80 69.098 68.609 0.489 1 1 819 . 1 1 1 A 80 80 THR N N 80 114.967 115.593 -0.626 1 1 820 . 1 1 1 A 81 81 SER H H 81 8.027 8.856 -0.829 1 1 821 . 1 1 1 A 81 81 SER HA H 81 4.214 3.928 0.286 1 1 824 . 1 1 1 A 81 81 SER C C 81 174.305 173.167 1.138 1 1 825 . 1 1 1 A 81 81 SER CA C 81 60.578 59.039 1.539 1 1 826 . 1 1 1 A 81 81 SER CB C 81 63.385 61.682 1.703 1 1 827 . 1 1 1 A 81 81 SER N N 81 116.664 121.901 -5.237 1 1 828 . 1 1 1 A 82 82 TYR H H 82 8.396 7.478 0.918 1 1 829 . 1 1 1 A 82 82 TYR HA H 82 4.612 3.748 0.864 1 1 832 . 1 1 1 A 82 82 TYR C C 82 176.069 175.221 0.848 1 1 833 . 1 1 1 A 82 82 TYR CA C 82 57.676 58.591 -0.915 1 1 834 . 1 1 1 A 82 82 TYR CB C 82 38.160 35.439 2.721 1 1 835 . 1 1 1 A 82 82 TYR N N 82 119.325 112.591 6.734 1 1 836 . 1 1 1 A 83 83 GLY H H 83 7.982 7.859 0.123 1 1 837 . 1 1 1 A 83 83 GLY HA2 H 83 4.021 3.975 0.046 1 1 838 . 1 1 1 A 83 83 GLY HA3 H 83 3.877 3.982 -0.105 1 1 839 . 1 1 1 A 83 83 GLY C C 83 178.820 174.515 4.305 1 1 840 . 1 1 1 A 83 83 GLY CA C 83 46.170 46.385 -0.215 1 1 841 . 1 1 1 A 83 83 GLY N N 83 111.287 107.135 4.152 1 1 842 . 1 1 1 A 84 84 ALA H H 84 8.505 8.847 -0.342 1 1 843 . 1 1 1 A 84 84 ALA HA H 84 4.619 4.536 0.083 1 1 847 . 1 1 1 A 84 84 ALA C C 84 176.933 176.653 0.280 1 1 848 . 1 1 1 A 84 84 ALA CA C 84 51.514 52.035 -0.521 1 1 849 . 1 1 1 A 84 84 ALA CB C 84 18.109 18.133 -0.024 1 1 850 . 1 1 1 A 84 84 ALA N N 84 126.408 128.856 -2.448 1 1 851 . 1 1 1 A 85 85 ARG H H 85 8.057 7.759 0.298 1 1 852 . 1 1 1 A 85 85 ARG HA H 85 4.696 4.861 -0.165 1 1 854 . 1 1 1 A 85 85 ARG CA C 85 53.887 53.317 0.570 1 1 855 . 1 1 1 A 85 85 ARG CB C 85 30.500 31.070 -0.570 1 1 856 . 1 1 1 A 85 85 ARG N N 85 123.060 116.518 6.542 1 1 857 . 1 1 1 A 86 86 PRO HA H 86 4.426 4.409 0.017 1 1 862 . 1 1 1 A 86 86 PRO CA C 86 62.541 63.225 -0.684 1 1 863 . 1 1 1 A 86 86 PRO CB C 86 31.477 32.079 -0.602 1 1 864 . 1 1 1 A 87 87 ILE H H 87 8.449 8.239 0.210 1 1 865 . 1 1 1 A 87 87 ILE HA H 87 3.821 4.023 -0.202 1 1 875 . 1 1 1 A 87 87 ILE CA C 87 58.300 60.197 -1.897 1 1 876 . 1 1 1 A 87 87 ILE CB C 87 37.630 37.978 -0.348 1 1 880 . 1 1 1 A 87 87 ILE N N 87 125.558 123.698 1.860 1 1 881 . 1 1 1 A 88 88 PRO HA H 88 4.425 4.496 -0.071 1 1 884 . 1 1 1 A 88 88 PRO C C 88 177.001 177.281 -0.280 1 1 885 . 1 1 1 A 88 88 PRO CA C 88 62.298 62.655 -0.357 1 1 886 . 1 1 1 A 88 88 PRO CB C 88 32.070 32.778 -0.708 1 1 887 . 1 1 1 A 89 89 GLU H H 89 8.861 8.631 0.230 1 1 888 . 1 1 1 A 89 89 GLU HA H 89 3.871 3.980 -0.109 1 1 891 . 1 1 1 A 89 89 GLU C C 89 177.756 178.696 -0.940 1 1 892 . 1 1 1 A 89 89 GLU CA C 89 59.711 59.941 -0.230 1 1 893 . 1 1 1 A 89 89 GLU CB C 89 29.119 29.398 -0.279 1 1 894 . 1 1 1 A 89 89 GLU N N 89 125.518 121.781 3.737 1 1 895 . 1 1 1 A 90 90 LYS H H 90 8.827 7.771 1.056 1 1 896 . 1 1 1 A 90 90 LYS HA H 90 3.969 4.125 -0.156 1 1 899 . 1 1 1 A 90 90 LYS C C 90 178.672 179.153 -0.481 1 1 900 . 1 1 1 A 90 90 LYS CA C 90 59.423 58.744 0.679 1 1 901 . 1 1 1 A 90 90 LYS CB C 90 31.820 31.911 -0.091 1 1 902 . 1 1 1 A 90 90 LYS N N 90 117.281 118.485 -1.204 1 1 903 . 1 1 1 A 91 91 LEU H H 91 6.857 8.122 -1.265 1 1 904 . 1 1 1 A 91 91 LEU HA H 91 4.212 3.977 0.235 1 1 911 . 1 1 1 A 91 91 LEU CA C 91 56.390 57.854 -1.464 1 1 912 . 1 1 1 A 91 91 LEU CB C 91 40.627 41.597 -0.970 1 1 915 . 1 1 1 A 91 91 LEU N N 91 120.818 120.652 0.166 1 1 916 . 1 1 1 A 92 92 LYS H H 92 8.156 8.911 -0.755 1 1 917 . 1 1 1 A 92 92 LYS HA H 92 3.558 3.913 -0.355 1 1 925 . 1 1 1 A 92 92 LYS C C 92 177.480 178.549 -1.069 1 1 926 . 1 1 1 A 92 92 LYS CA C 92 60.613 59.317 1.296 1 1 927 . 1 1 1 A 92 92 LYS CB C 92 31.812 32.375 -0.563 1 1 931 . 1 1 1 A 92 92 LYS N N 92 120.663 119.133 1.530 1 1 932 . 1 1 1 A 93 93 LYS H H 93 8.156 9.411 -1.255 1 1 933 . 1 1 1 A 93 93 LYS HA H 93 4.032 3.958 0.074 1 1 936 . 1 1 1 A 93 93 LYS C C 93 178.757 179.072 -0.315 1 1 937 . 1 1 1 A 93 93 LYS CA C 93 58.546 59.695 -1.149 1 1 938 . 1 1 1 A 93 93 LYS CB C 93 31.726 32.483 -0.757 1 1 939 . 1 1 1 A 93 93 LYS N N 93 116.478 118.744 -2.266 1 1 940 . 1 1 1 A 94 94 ARG H H 94 7.287 7.806 -0.519 1 1 941 . 1 1 1 A 94 94 ARG HA H 94 4.032 4.118 -0.086 1 1 948 . 1 1 1 A 94 94 ARG C C 94 177.872 178.535 -0.663 1 1 949 . 1 1 1 A 94 94 ARG CA C 94 58.639 59.179 -0.540 1 1 950 . 1 1 1 A 94 94 ARG CB C 94 29.490 30.305 -0.815 1 1 953 . 1 1 1 A 94 94 ARG N N 94 120.980 119.539 1.441 1 1 955 . 1 1 1 A 95 95 LEU H H 95 8.365 9.106 -0.741 1 1 956 . 1 1 1 A 95 95 LEU HA H 95 3.597 4.103 -0.506 1 1 960 . 1 1 1 A 95 95 LEU C C 95 177.342 179.290 -1.948 1 1 961 . 1 1 1 A 95 95 LEU CA C 95 57.009 57.623 -0.614 1 1 962 . 1 1 1 A 95 95 LEU CB C 95 40.718 41.282 -0.564 1 1 964 . 1 1 1 A 95 95 LEU N N 95 119.611 119.478 0.133 1 1 965 . 1 1 1 A 96 96 GLN H H 96 8.126 9.401 -1.275 1 1 966 . 1 1 1 A 96 96 GLN HA H 96 4.033 4.072 -0.039 1 1 972 . 1 1 1 A 96 96 GLN C C 96 179.502 178.336 1.166 1 1 973 . 1 1 1 A 96 96 GLN CA C 96 58.743 59.015 -0.272 1 1 974 . 1 1 1 A 96 96 GLN CB C 96 27.315 28.263 -0.948 1 1 976 . 1 1 1 A 96 96 GLN N N 96 115.986 119.640 -3.654 1 1 978 . 1 1 1 A 97 97 LEU H H 97 7.574 9.134 -1.560 1 1 979 . 1 1 1 A 97 97 LEU HA H 97 4.176 4.132 0.044 1 1 983 . 1 1 1 A 97 97 LEU CA C 97 57.816 57.751 0.065 1 1 984 . 1 1 1 A 97 97 LEU CB C 97 41.107 42.018 -0.911 1 1 985 . 1 1 1 A 97 97 LEU N N 97 121.721 121.275 0.446 1 1 986 . 1 1 1 A 98 98 GLU H H 98 8.180 9.138 -0.958 1 1 987 . 1 1 1 A 98 98 GLU HA H 98 3.970 3.950 0.020 1 1 989 . 1 1 1 A 98 98 GLU C C 98 178.852 178.914 -0.062 1 1 990 . 1 1 1 A 98 98 GLU CA C 98 59.074 59.561 -0.487 1 1 991 . 1 1 1 A 98 98 GLU CB C 98 28.376 29.294 -0.918 1 1 992 . 1 1 1 A 98 98 GLU N N 98 122.418 118.801 3.617 1 1 993 . 1 1 1 A 99 99 PHE H H 99 8.995 9.448 -0.453 1 1 994 . 1 1 1 A 99 99 PHE HA H 99 4.560 4.066 0.494 1 1 997 . 1 1 1 A 99 99 PHE C C 99 178.050 177.799 0.251 1 1 998 . 1 1 1 A 99 99 PHE CA C 99 57.595 61.414 -3.819 1 1 999 . 1 1 1 A 99 99 PHE CB C 99 36.788 39.151 -2.363 1 1 1000 . 1 1 1 A 99 99 PHE N N 99 118.943 120.575 -1.632 1 1 1001 . 1 1 1 A 100 100 THR H H 100 7.985 9.002 -1.017 1 1 1002 . 1 1 1 A 100 100 THR HA H 100 4.097 4.142 -0.045 1 1 1007 . 1 1 1 A 100 100 THR CA C 100 66.567 65.727 0.840 1 1 1008 . 1 1 1 A 100 100 THR CB C 100 68.200 68.545 -0.345 1 1 1010 . 1 1 1 A 100 100 THR N N 100 117.633 113.704 3.929 1 1 1011 . 1 1 1 A 101 101 GLN H H 101 8.160 9.061 -0.901 1 1 1012 . 1 1 1 A 101 101 GLN HA H 101 4.017 4.077 -0.060 1 1 1018 . 1 1 1 A 101 101 GLN C C 101 179.034 177.630 1.404 1 1 1019 . 1 1 1 A 101 101 GLN CA C 101 58.649 57.290 1.359 1 1 1020 . 1 1 1 A 101 101 GLN CB C 101 27.541 29.076 -1.535 1 1 1022 . 1 1 1 A 101 101 GLN N N 101 122.138 120.227 1.911 1 1 1024 . 1 1 1 A 102 102 ALA H H 102 8.768 8.983 -0.215 1 1 1025 . 1 1 1 A 102 102 ALA HA H 102 4.036 4.163 -0.127 1 1 1029 . 1 1 1 A 102 102 ALA C C 102 178.466 178.672 -0.206 1 1 1030 . 1 1 1 A 102 102 ALA CA C 102 55.525 54.886 0.639 1 1 1031 . 1 1 1 A 102 102 ALA CB C 102 18.046 19.161 -1.115 1 1 1032 . 1 1 1 A 102 102 ALA N N 102 124.541 122.325 2.216 1 1 1033 . 1 1 1 A 103 103 GLU H H 103 8.552 9.042 -0.490 1 1 1034 . 1 1 1 A 103 103 GLU HA H 103 3.680 3.813 -0.133 1 1 1039 . 1 1 1 A 103 103 GLU C C 103 178.447 178.465 -0.018 1 1 1040 . 1 1 1 A 103 103 GLU CA C 103 59.802 59.188 0.614 1 1 1041 . 1 1 1 A 103 103 GLU CB C 103 29.672 28.790 0.882 1 1 1043 . 1 1 1 A 103 103 GLU N N 103 120.048 118.325 1.723 1 1 1044 . 1 1 1 A 104 104 ARG H H 104 8.242 8.236 0.006 1 1 1045 . 1 1 1 A 104 104 ARG HA H 104 4.214 4.022 0.192 1 1 1048 . 1 1 1 A 104 104 ARG C C 104 178.958 178.423 0.535 1 1 1049 . 1 1 1 A 104 104 ARG CA C 104 58.135 59.575 -1.440 1 1 1050 . 1 1 1 A 104 104 ARG CB C 104 29.742 29.735 0.007 1 1 1051 . 1 1 1 A 104 104 ARG N N 104 119.448 120.061 -0.613 1 1 1052 . 1 1 1 A 105 105 SER H H 105 8.087 7.729 0.358 1 1 1053 . 1 1 1 A 105 105 SER HA H 105 4.290 4.178 0.112 1 1 1056 . 1 1 1 A 105 105 SER CA C 105 61.917 61.612 0.305 1 1 1057 . 1 1 1 A 105 105 SER N N 105 117.329 113.938 3.391 1 1 1058 . 1 1 1 A 106 106 ILE H H 106 8.403 7.570 0.833 1 1 1059 . 1 1 1 A 106 106 ILE HA H 106 4.113 3.682 0.431 1 1 1069 . 1 1 1 A 106 106 ILE CA C 106 61.487 65.042 -3.555 1 1 1070 . 1 1 1 A 106 106 ILE CB C 106 35.600 37.199 -1.599 1 1 1074 . 1 1 1 A 106 106 ILE N N 106 124.394 120.698 3.696 1 1 1075 . 1 1 1 A 107 107 GLU H H 107 8.187 7.665 0.522 1 1 1076 . 1 1 1 A 107 107 GLU HA H 107 4.126 4.254 -0.128 1 1 1079 . 1 1 1 A 107 107 GLU C C 107 177.494 175.802 1.692 1 1 1080 . 1 1 1 A 107 107 GLU CA C 107 58.849 56.685 2.164 1 1 1081 . 1 1 1 A 107 107 GLU CB C 107 29.052 29.746 -0.694 1 1 1082 . 1 1 1 A 107 107 GLU N N 107 123.223 120.247 2.976 1 1 1083 . 1 1 1 A 108 108 ARG H H 108 7.651 8.085 -0.434 1 1 1084 . 1 1 1 A 108 108 ARG HA H 108 4.431 3.938 0.493 1 1 1090 . 1 1 1 A 108 108 ARG C C 108 175.927 175.929 -0.002 1 1 1091 . 1 1 1 A 108 108 ARG CA C 108 55.584 57.052 -1.468 1 1 1092 . 1 1 1 A 108 108 ARG CB C 108 30.806 27.726 3.080 1 1 1094 . 1 1 1 A 108 108 ARG N N 108 117.394 116.564 0.830 1 1 1095 . 1 1 1 A 109 109 GLY H H 109 8.190 8.366 -0.176 1 1 1096 . 1 1 1 A 109 109 GLY HA2 H 109 4.141 4.114 0.027 1 1 1097 . 1 1 1 A 109 109 GLY HA3 H 109 4.060 4.115 -0.055 1 1 1098 . 1 1 1 A 109 109 GLY C C 109 174.031 174.151 -0.120 1 1 1099 . 1 1 1 A 109 109 GLY CA C 109 45.823 45.833 -0.010 1 1 1100 . 1 1 1 A 109 109 GLY N N 109 110.712 105.128 5.584 1 1 7 . 2 1 1 A 2 2 ASP H H 2 8.644 8.792 -0.148 1 1 8 . 2 1 1 A 2 2 ASP HA H 2 4.373 4.210 0.163 1 1 11 . 2 1 1 A 2 2 ASP C C 2 178.938 174.651 4.287 1 1 12 . 2 1 1 A 2 2 ASP CA C 2 53.794 55.692 -1.898 1 1 13 . 2 1 1 A 2 2 ASP CB C 2 41.025 39.643 1.382 1 1 14 . 2 1 1 A 2 2 ASP N N 2 122.106 118.500 3.606 1 1 15 . 2 1 1 A 3 3 SER H H 3 8.508 7.660 0.848 1 1 16 . 2 1 1 A 3 3 SER HA H 3 4.331 4.973 -0.642 1 1 19 . 2 1 1 A 3 3 SER C C 3 174.777 173.803 0.974 1 1 20 . 2 1 1 A 3 3 SER CA C 3 58.141 56.409 1.732 1 1 21 . 2 1 1 A 3 3 SER CB C 3 63.359 66.007 -2.648 1 1 22 . 2 1 1 A 3 3 SER N N 3 117.604 111.342 6.262 1 1 23 . 2 1 1 A 4 4 GLY H H 4 8.603 8.532 0.071 1 1 24 . 2 1 1 A 4 4 GLY HA2 H 4 4.130 4.137 -0.007 1 1 25 . 2 1 1 A 4 4 GLY HA3 H 4 4.076 4.147 -0.071 1 1 26 . 2 1 1 A 4 4 GLY C C 4 174.283 172.710 1.573 1 1 27 . 2 1 1 A 4 4 GLY CA C 4 45.054 44.557 0.497 1 1 28 . 2 1 1 A 4 4 GLY N N 4 111.842 109.480 2.362 1 1 29 . 2 1 1 A 5 5 THR H H 5 8.140 9.302 -1.162 1 1 30 . 2 1 1 A 5 5 THR HA H 5 4.371 4.733 -0.362 1 1 35 . 2 1 1 A 5 5 THR C C 5 174.827 172.897 1.930 1 1 36 . 2 1 1 A 5 5 THR CA C 5 61.515 61.134 0.381 1 1 37 . 2 1 1 A 5 5 THR CB C 5 69.683 71.750 -2.067 1 1 39 . 2 1 1 A 5 5 THR N N 5 112.188 114.033 -1.845 1 1 40 . 2 1 1 A 6 6 GLY H H 6 8.425 8.484 -0.059 1 1 41 . 2 1 1 A 6 6 GLY HA2 H 6 4.109 4.230 -0.121 1 1 42 . 2 1 1 A 6 6 GLY HA3 H 6 3.875 4.408 -0.533 1 1 43 . 2 1 1 A 6 6 GLY C C 6 173.670 174.816 -1.146 1 1 44 . 2 1 1 A 6 6 GLY CA C 6 44.466 45.965 -1.499 1 1 45 . 2 1 1 A 6 6 GLY N N 6 110.955 111.279 -0.324 1 1 46 . 2 1 1 A 7 7 LEU H H 7 7.993 8.510 -0.517 1 1 47 . 2 1 1 A 7 7 LEU HA H 7 4.503 4.011 0.492 1 1 53 . 2 1 1 A 7 7 LEU C C 7 177.284 176.807 0.477 1 1 54 . 2 1 1 A 7 7 LEU CA C 7 54.741 57.053 -2.312 1 1 55 . 2 1 1 A 7 7 LEU CB C 7 39.284 41.975 -2.691 1 1 58 . 2 1 1 A 7 7 LEU N N 7 121.268 122.085 -0.817 1 1 59 . 2 1 1 A 8 8 THR H H 8 10.385 7.429 2.956 1 1 60 . 2 1 1 A 8 8 THR HA H 8 4.521 3.720 0.801 1 1 65 . 2 1 1 A 8 8 THR C C 8 176.965 174.903 2.062 1 1 66 . 2 1 1 A 8 8 THR CA C 8 64.563 61.424 3.139 1 1 67 . 2 1 1 A 8 8 THR CB C 8 71.946 71.837 0.109 1 1 69 . 2 1 1 A 8 8 THR N N 8 113.472 110.889 2.583 1 1 70 . 2 1 1 A 9 9 GLY H H 9 9.733 8.147 1.586 1 1 71 . 2 1 1 A 9 9 GLY HA2 H 9 4.391 4.139 0.252 1 1 72 . 2 1 1 A 9 9 GLY HA3 H 9 3.805 4.161 -0.356 1 1 73 . 2 1 1 A 9 9 GLY C C 9 173.133 174.976 -1.843 1 1 74 . 2 1 1 A 9 9 GLY CA C 9 45.453 47.089 -1.636 1 1 75 . 2 1 1 A 9 9 GLY N N 9 114.948 110.500 4.448 1 1 76 . 2 1 1 A 10 10 ASN H H 10 7.664 8.142 -0.478 1 1 77 . 2 1 1 A 10 10 ASN HA H 10 4.906 4.816 0.090 1 1 82 . 2 1 1 A 10 10 ASN C C 10 173.098 173.847 -0.749 1 1 83 . 2 1 1 A 10 10 ASN CA C 10 51.504 53.088 -1.584 1 1 84 . 2 1 1 A 10 10 ASN CB C 10 38.449 38.961 -0.512 1 1 85 . 2 1 1 A 10 10 ASN N N 10 120.991 119.186 1.805 1 1 87 . 2 1 1 A 11 11 TYR H H 11 8.892 8.604 0.288 1 1 88 . 2 1 1 A 11 11 TYR HA H 11 3.767 4.747 -0.980 1 1 91 . 2 1 1 A 11 11 TYR C C 11 177.871 175.949 1.922 1 1 92 . 2 1 1 A 11 11 TYR CA C 11 61.897 56.880 5.017 1 1 93 . 2 1 1 A 11 11 TYR CB C 11 38.099 39.354 -1.255 1 1 94 . 2 1 1 A 11 11 TYR N N 11 128.653 121.836 6.817 1 1 95 . 2 1 1 A 12 12 SER H H 12 8.729 8.823 -0.094 1 1 96 . 2 1 1 A 12 12 SER HA H 12 3.747 3.921 -0.174 1 1 99 . 2 1 1 A 12 12 SER C C 12 174.675 177.168 -2.493 1 1 100 . 2 1 1 A 12 12 SER CA C 12 62.371 61.484 0.887 1 1 101 . 2 1 1 A 12 12 SER CB C 12 61.600 62.924 -1.324 1 1 102 . 2 1 1 A 12 12 SER N N 12 119.446 118.018 1.428 1 1 103 . 2 1 1 A 13 13 GLN H H 13 7.645 8.187 -0.542 1 1 104 . 2 1 1 A 13 13 GLN HA H 13 3.955 4.020 -0.065 1 1 110 . 2 1 1 A 13 13 GLN C C 13 178.400 178.059 0.341 1 1 111 . 2 1 1 A 13 13 GLN CA C 13 58.083 59.221 -1.138 1 1 112 . 2 1 1 A 13 13 GLN CB C 13 28.328 28.229 0.099 1 1 114 . 2 1 1 A 13 13 GLN N N 13 121.234 121.339 -0.105 1 1 116 . 2 1 1 A 14 14 ASP H H 14 9.314 8.072 1.242 1 1 117 . 2 1 1 A 14 14 ASP HA H 14 4.513 4.377 0.136 1 1 120 . 2 1 1 A 14 14 ASP C C 14 177.320 178.922 -1.602 1 1 121 . 2 1 1 A 14 14 ASP CA C 14 56.778 56.722 0.056 1 1 122 . 2 1 1 A 14 14 ASP CB C 14 40.380 40.685 -0.305 1 1 123 . 2 1 1 A 14 14 ASP N N 14 120.095 119.832 0.263 1 1 124 . 2 1 1 A 15 15 THR H H 15 8.283 8.310 -0.027 1 1 125 . 2 1 1 A 15 15 THR HA H 15 3.637 3.922 -0.285 1 1 130 . 2 1 1 A 15 15 THR C C 15 174.455 176.932 -2.477 1 1 131 . 2 1 1 A 15 15 THR CA C 15 67.657 67.234 0.423 1 1 132 . 2 1 1 A 15 15 THR CB C 15 67.465 68.414 -0.949 1 1 134 . 2 1 1 A 15 15 THR N N 15 117.657 116.021 1.636 1 1 135 . 2 1 1 A 16 16 LEU H H 16 7.452 8.168 -0.716 1 1 136 . 2 1 1 A 16 16 LEU HA H 16 3.919 3.974 -0.055 1 1 140 . 2 1 1 A 16 16 LEU C C 16 179.666 179.115 0.551 1 1 141 . 2 1 1 A 16 16 LEU CA C 16 57.864 58.072 -0.208 1 1 142 . 2 1 1 A 16 16 LEU CB C 16 39.811 40.948 -1.137 1 1 144 . 2 1 1 A 16 16 LEU N N 16 120.034 117.802 2.232 1 1 145 . 2 1 1 A 17 17 THR H H 17 8.708 7.875 0.833 1 1 146 . 2 1 1 A 17 17 THR HA H 17 3.893 3.952 -0.059 1 1 151 . 2 1 1 A 17 17 THR C C 17 179.666 176.181 3.485 1 1 152 . 2 1 1 A 17 17 THR CA C 17 66.152 66.765 -0.613 1 1 153 . 2 1 1 A 17 17 THR CB C 17 67.921 68.740 -0.819 1 1 155 . 2 1 1 A 17 17 THR N N 17 121.382 115.918 5.464 1 1 156 . 2 1 1 A 18 18 VAL H H 18 8.194 7.974 0.220 1 1 157 . 2 1 1 A 18 18 VAL HA H 18 3.705 3.522 0.183 1 1 165 . 2 1 1 A 18 18 VAL C C 18 177.242 177.895 -0.653 1 1 166 . 2 1 1 A 18 18 VAL CA C 18 65.886 66.662 -0.776 1 1 167 . 2 1 1 A 18 18 VAL CB C 18 30.729 31.351 -0.622 1 1 170 . 2 1 1 A 18 18 VAL N N 18 123.227 121.276 1.951 1 1 171 . 2 1 1 A 19 19 ILE H H 19 7.933 7.847 0.086 1 1 172 . 2 1 1 A 19 19 ILE HA H 19 2.633 3.673 -1.040 1 1 182 . 2 1 1 A 19 19 ILE C C 19 176.276 178.261 -1.985 1 1 183 . 2 1 1 A 19 19 ILE CA C 19 66.137 63.829 2.308 1 1 184 . 2 1 1 A 19 19 ILE CB C 19 37.782 37.059 0.723 1 1 188 . 2 1 1 A 19 19 ILE N N 19 119.786 119.186 0.600 1 1 189 . 2 1 1 A 20 20 ALA H H 20 7.782 7.799 -0.017 1 1 190 . 2 1 1 A 20 20 ALA HA H 20 3.972 4.164 -0.192 1 1 194 . 2 1 1 A 20 20 ALA C C 20 180.867 180.008 0.859 1 1 195 . 2 1 1 A 20 20 ALA CA C 20 55.170 55.001 0.169 1 1 196 . 2 1 1 A 20 20 ALA CB C 20 17.282 18.190 -0.908 1 1 197 . 2 1 1 A 20 20 ALA N N 20 121.793 123.712 -1.919 1 1 198 . 2 1 1 A 21 21 THR H H 21 8.573 7.746 0.827 1 1 199 . 2 1 1 A 21 21 THR HA H 21 3.902 3.908 -0.006 1 1 204 . 2 1 1 A 21 21 THR C C 21 176.720 176.899 -0.179 1 1 205 . 2 1 1 A 21 21 THR CA C 21 65.200 66.705 -1.505 1 1 206 . 2 1 1 A 21 21 THR CB C 21 68.092 67.947 0.145 1 1 208 . 2 1 1 A 21 21 THR N N 21 118.393 114.774 3.619 1 1 209 . 2 1 1 A 22 22 LEU H H 22 8.583 7.968 0.615 1 1 210 . 2 1 1 A 22 22 LEU HA H 22 4.065 3.871 0.194 1 1 217 . 2 1 1 A 22 22 LEU C C 22 178.284 178.984 -0.700 1 1 218 . 2 1 1 A 22 22 LEU CA C 22 57.005 57.806 -0.801 1 1 219 . 2 1 1 A 22 22 LEU CB C 22 40.209 41.526 -1.317 1 1 223 . 2 1 1 A 22 22 LEU N N 22 122.517 121.173 1.344 1 1 224 . 2 1 1 A 23 23 ARG H H 23 8.858 8.287 0.571 1 1 225 . 2 1 1 A 23 23 ARG HA H 23 3.873 3.863 0.010 1 1 230 . 2 1 1 A 23 23 ARG C C 23 178.503 178.157 0.346 1 1 231 . 2 1 1 A 23 23 ARG CA C 23 60.362 59.315 1.047 1 1 232 . 2 1 1 A 23 23 ARG CB C 23 29.808 29.822 -0.014 1 1 235 . 2 1 1 A 23 23 ARG N N 23 120.502 117.757 2.745 1 1 237 . 2 1 1 A 24 24 GLU H H 24 7.250 7.772 -0.522 1 1 238 . 2 1 1 A 24 24 GLU HA H 24 4.109 3.789 0.320 1 1 243 . 2 1 1 A 24 24 GLU CA C 24 58.312 58.690 -0.378 1 1 244 . 2 1 1 A 24 24 GLU CB C 24 29.024 28.921 0.103 1 1 246 . 2 1 1 A 24 24 GLU N N 24 117.221 119.031 -1.810 1 1 247 . 2 1 1 A 25 25 ALA H H 25 8.223 8.072 0.151 1 1 248 . 2 1 1 A 25 25 ALA HA H 25 3.983 4.016 -0.033 1 1 252 . 2 1 1 A 25 25 ALA C C 25 180.617 179.285 1.332 1 1 253 . 2 1 1 A 25 25 ALA CA C 25 55.203 54.948 0.255 1 1 254 . 2 1 1 A 25 25 ALA CB C 25 17.657 18.298 -0.641 1 1 255 . 2 1 1 A 25 25 ALA N N 25 121.823 121.703 0.120 1 1 256 . 2 1 1 A 26 26 ILE H H 26 8.552 7.500 1.052 1 1 257 . 2 1 1 A 26 26 ILE HA H 26 4.144 3.702 0.442 1 1 267 . 2 1 1 A 26 26 ILE C C 26 175.586 176.668 -1.082 1 1 268 . 2 1 1 A 26 26 ILE CA C 26 63.790 62.793 0.997 1 1 269 . 2 1 1 A 26 26 ILE CB C 26 37.496 37.897 -0.401 1 1 273 . 2 1 1 A 26 26 ILE N N 26 112.838 118.718 -5.880 1 1 274 . 2 1 1 A 27 27 ASP H H 27 7.175 7.263 -0.088 1 1 275 . 2 1 1 A 27 27 ASP HA H 27 4.934 4.606 0.328 1 1 278 . 2 1 1 A 27 27 ASP C C 27 175.602 176.383 -0.781 1 1 279 . 2 1 1 A 27 27 ASP CA C 27 53.160 53.619 -0.459 1 1 280 . 2 1 1 A 27 27 ASP CB C 27 41.754 40.470 1.284 1 1 281 . 2 1 1 A 27 27 ASP N N 27 120.840 120.266 0.574 1 1 282 . 2 1 1 A 28 28 LEU H H 28 7.136 7.202 -0.066 1 1 283 . 2 1 1 A 28 28 LEU HA H 28 4.510 4.292 0.218 1 1 290 . 2 1 1 A 28 28 LEU CA C 28 53.379 53.673 -0.294 1 1 291 . 2 1 1 A 28 28 LEU CB C 28 42.286 41.822 0.464 1 1 294 . 2 1 1 A 28 28 LEU N N 28 124.155 121.789 2.366 1 1 295 . 2 1 1 A 29 29 PRO HA H 29 4.552 4.492 0.060 1 1 301 . 2 1 1 A 29 29 PRO C C 29 177.414 177.273 0.141 1 1 302 . 2 1 1 A 29 29 PRO CA C 29 62.506 62.700 -0.194 1 1 303 . 2 1 1 A 29 29 PRO CB C 29 32.263 32.471 -0.208 1 1 305 . 2 1 1 A 30 30 GLN H H 30 8.935 8.565 0.370 1 1 306 . 2 1 1 A 30 30 GLN HA H 30 3.966 4.029 -0.063 1 1 311 . 2 1 1 A 30 30 GLN C C 30 175.595 176.606 -1.011 1 1 312 . 2 1 1 A 30 30 GLN CA C 30 58.036 58.368 -0.332 1 1 313 . 2 1 1 A 30 30 GLN CB C 30 28.116 28.443 -0.327 1 1 315 . 2 1 1 A 30 30 GLN N N 30 122.119 121.242 0.877 1 1 317 . 2 1 1 A 31 31 ASP H H 31 8.353 7.873 0.480 1 1 318 . 2 1 1 A 31 31 ASP HA H 31 4.682 4.466 0.216 1 1 321 . 2 1 1 A 31 31 ASP C C 31 175.518 175.988 -0.470 1 1 322 . 2 1 1 A 31 31 ASP CA C 31 52.178 55.553 -3.375 1 1 323 . 2 1 1 A 31 31 ASP CB C 31 39.270 41.406 -2.136 1 1 324 . 2 1 1 A 31 31 ASP N N 31 115.909 117.963 -2.054 1 1 325 . 2 1 1 A 32 32 ALA H H 32 7.467 8.459 -0.992 1 1 326 . 2 1 1 A 32 32 ALA HA H 32 4.564 4.855 -0.291 1 1 330 . 2 1 1 A 32 32 ALA CA C 32 50.496 49.874 0.622 1 1 331 . 2 1 1 A 32 32 ALA CB C 32 17.852 19.085 -1.233 1 1 332 . 2 1 1 A 32 32 ALA N N 32 124.893 122.435 2.458 1 1 333 . 2 1 1 A 33 33 PRO HA H 33 4.494 4.452 0.042 1 1 339 . 2 1 1 A 33 33 PRO C C 33 176.278 177.442 -1.164 1 1 340 . 2 1 1 A 33 33 PRO CA C 33 63.894 64.616 -0.722 1 1 341 . 2 1 1 A 33 33 PRO CB C 33 31.354 31.958 -0.604 1 1 344 . 2 1 1 A 34 34 ASN H H 34 8.577 8.583 -0.006 1 1 345 . 2 1 1 A 34 34 ASN HA H 34 5.041 4.849 0.192 1 1 350 . 2 1 1 A 34 34 ASN C C 34 174.678 175.912 -1.234 1 1 351 . 2 1 1 A 34 34 ASN CA C 34 51.792 52.871 -1.079 1 1 352 . 2 1 1 A 34 34 ASN CB C 34 36.334 38.245 -1.911 1 1 353 . 2 1 1 A 34 34 ASN N N 34 115.598 117.008 -1.410 1 1 355 . 2 1 1 A 35 35 ARG H H 35 7.401 8.276 -0.875 1 1 356 . 2 1 1 A 35 35 ARG HA H 35 3.726 4.083 -0.357 1 1 363 . 2 1 1 A 35 35 ARG C C 35 176.887 178.957 -2.070 1 1 364 . 2 1 1 A 35 35 ARG CA C 35 60.063 60.126 -0.063 1 1 365 . 2 1 1 A 35 35 ARG CB C 35 29.571 30.060 -0.489 1 1 368 . 2 1 1 A 35 35 ARG N N 35 119.690 120.243 -0.553 1 1 370 . 2 1 1 A 36 36 GLN H H 36 8.780 8.281 0.499 1 1 371 . 2 1 1 A 36 36 GLN HA H 36 3.805 4.271 -0.466 1 1 377 . 2 1 1 A 36 36 GLN CA C 36 58.618 58.999 -0.381 1 1 378 . 2 1 1 A 36 36 GLN CB C 36 27.595 28.328 -0.733 1 1 380 . 2 1 1 A 36 36 GLN N N 36 119.100 118.419 0.681 1 1 382 . 2 1 1 A 37 37 GLU H H 37 8.128 8.022 0.106 1 1 383 . 2 1 1 A 37 37 GLU HA H 37 4.137 4.139 -0.002 1 1 387 . 2 1 1 A 37 37 GLU C C 37 179.222 179.131 0.091 1 1 388 . 2 1 1 A 37 37 GLU CA C 37 59.336 58.874 0.462 1 1 389 . 2 1 1 A 37 37 GLU CB C 37 28.781 29.475 -0.694 1 1 391 . 2 1 1 A 37 37 GLU N N 37 120.485 120.154 0.331 1 1 392 . 2 1 1 A 38 38 VAL H H 38 8.127 9.093 -0.966 1 1 393 . 2 1 1 A 38 38 VAL HA H 38 3.708 3.623 0.085 1 1 401 . 2 1 1 A 38 38 VAL C C 38 178.246 177.968 0.278 1 1 402 . 2 1 1 A 38 38 VAL CA C 38 66.019 66.676 -0.657 1 1 403 . 2 1 1 A 38 38 VAL CB C 38 31.008 31.490 -0.482 1 1 406 . 2 1 1 A 38 38 VAL N N 38 121.937 120.073 1.864 1 1 407 . 2 1 1 A 39 39 GLN H H 39 8.324 7.860 0.464 1 1 408 . 2 1 1 A 39 39 GLN HA H 39 3.764 3.948 -0.184 1 1 415 . 2 1 1 A 39 39 GLN C C 39 177.642 177.678 -0.036 1 1 416 . 2 1 1 A 39 39 GLN CA C 39 59.019 58.894 0.125 1 1 417 . 2 1 1 A 39 39 GLN CB C 39 27.176 28.306 -1.130 1 1 419 . 2 1 1 A 39 39 GLN N N 39 120.203 120.252 -0.049 1 1 421 . 2 1 1 A 40 40 ASP H H 40 8.699 8.318 0.381 1 1 422 . 2 1 1 A 40 40 ASP HA H 40 4.391 4.231 0.160 1 1 425 . 2 1 1 A 40 40 ASP C C 40 179.726 178.639 1.087 1 1 426 . 2 1 1 A 40 40 ASP CA C 40 57.267 57.661 -0.394 1 1 427 . 2 1 1 A 40 40 ASP CB C 40 39.458 41.690 -2.232 1 1 428 . 2 1 1 A 40 40 ASP N N 40 121.604 119.749 1.855 1 1 429 . 2 1 1 A 41 41 THR H H 41 8.449 7.963 0.486 1 1 430 . 2 1 1 A 41 41 THR HA H 41 3.981 3.925 0.056 1 1 435 . 2 1 1 A 41 41 THR CA C 41 66.254 66.072 0.182 1 1 436 . 2 1 1 A 41 41 THR CB C 41 67.937 68.375 -0.438 1 1 437 . 2 1 1 A 41 41 THR N N 41 121.386 115.480 5.906 1 1 438 . 2 1 1 A 42 42 ALA H H 42 8.552 7.991 0.561 1 1 439 . 2 1 1 A 42 42 ALA HA H 42 3.876 3.890 -0.014 1 1 443 . 2 1 1 A 42 42 ALA C C 42 178.300 179.742 -1.442 1 1 444 . 2 1 1 A 42 42 ALA CA C 42 55.244 55.255 -0.011 1 1 445 . 2 1 1 A 42 42 ALA CB C 42 17.295 18.352 -1.057 1 1 446 . 2 1 1 A 42 42 ALA N N 42 126.245 123.244 3.001 1 1 447 . 2 1 1 A 43 43 ARG H H 43 8.553 8.247 0.306 1 1 448 . 2 1 1 A 43 43 ARG HA H 43 3.923 4.272 -0.349 1 1 451 . 2 1 1 A 43 43 ARG C C 43 178.522 179.591 -1.069 1 1 452 . 2 1 1 A 43 43 ARG CA C 43 59.680 59.959 -0.279 1 1 453 . 2 1 1 A 43 43 ARG CB C 43 29.887 30.378 -0.491 1 1 454 . 2 1 1 A 43 43 ARG N N 43 117.705 118.965 -1.260 1 1 455 . 2 1 1 A 44 44 GLY H H 44 8.049 8.171 -0.122 1 1 456 . 2 1 1 A 44 44 GLY HA2 H 44 4.066 3.802 0.264 1 1 457 . 2 1 1 A 44 44 GLY HA3 H 44 3.972 3.806 0.166 1 1 458 . 2 1 1 A 44 44 GLY CA C 44 46.710 47.506 -0.796 1 1 459 . 2 1 1 A 44 44 GLY N N 44 106.443 107.254 -0.811 1 1 460 . 2 1 1 A 45 45 GLN H H 45 8.305 7.638 0.667 1 1 461 . 2 1 1 A 45 45 GLN HA H 45 4.204 4.079 0.125 1 1 466 . 2 1 1 A 45 45 GLN C C 45 177.942 179.195 -1.253 1 1 467 . 2 1 1 A 45 45 GLN CA C 45 59.930 58.443 1.487 1 1 468 . 2 1 1 A 45 45 GLN CB C 45 28.520 28.460 0.060 1 1 470 . 2 1 1 A 45 45 GLN N N 45 123.780 120.988 2.792 1 1 472 . 2 1 1 A 46 46 ILE H H 46 8.673 7.994 0.679 1 1 473 . 2 1 1 A 46 46 ILE HA H 46 3.594 3.758 -0.164 1 1 483 . 2 1 1 A 46 46 ILE C C 46 176.649 177.837 -1.188 1 1 484 . 2 1 1 A 46 46 ILE CA C 46 66.299 65.521 0.778 1 1 485 . 2 1 1 A 46 46 ILE CB C 46 37.762 37.710 0.052 1 1 489 . 2 1 1 A 46 46 ILE N N 46 120.050 121.247 -1.197 1 1 490 . 2 1 1 A 47 47 ASN H H 47 7.866 8.500 -0.634 1 1 491 . 2 1 1 A 47 47 ASN HA H 47 4.525 4.422 0.103 1 1 495 . 2 1 1 A 47 47 ASN C C 47 176.649 177.304 -0.655 1 1 496 . 2 1 1 A 47 47 ASN CA C 47 55.703 56.672 -0.969 1 1 497 . 2 1 1 A 47 47 ASN CB C 47 37.925 37.772 0.153 1 1 498 . 2 1 1 A 47 47 ASN N N 47 116.444 118.846 -2.402 1 1 500 . 2 1 1 A 48 48 ASP H H 48 8.185 7.816 0.369 1 1 501 . 2 1 1 A 48 48 ASP HA H 48 4.460 4.419 0.041 1 1 504 . 2 1 1 A 48 48 ASP C C 48 176.285 178.197 -1.912 1 1 505 . 2 1 1 A 48 48 ASP CA C 48 56.635 57.130 -0.495 1 1 506 . 2 1 1 A 48 48 ASP CB C 48 41.593 41.078 0.515 1 1 507 . 2 1 1 A 48 48 ASP N N 48 121.725 119.892 1.833 1 1 508 . 2 1 1 A 49 49 TYR H H 49 8.756 8.563 0.193 1 1 509 . 2 1 1 A 49 49 TYR HA H 49 3.892 4.279 -0.387 1 1 512 . 2 1 1 A 49 49 TYR C C 49 176.432 177.049 -0.617 1 1 513 . 2 1 1 A 49 49 TYR CA C 49 62.617 61.482 1.135 1 1 514 . 2 1 1 A 49 49 TYR CB C 49 39.188 38.809 0.379 1 1 515 . 2 1 1 A 49 49 TYR N N 49 121.005 120.802 0.203 1 1 516 . 2 1 1 A 50 50 ILE H H 50 8.481 8.860 -0.379 1 1 517 . 2 1 1 A 50 50 ILE HA H 50 3.901 3.677 0.224 1 1 527 . 2 1 1 A 50 50 ILE C C 50 177.407 176.737 0.670 1 1 528 . 2 1 1 A 50 50 ILE CA C 50 63.893 63.739 0.154 1 1 529 . 2 1 1 A 50 50 ILE CB C 50 36.668 38.359 -1.691 1 1 533 . 2 1 1 A 50 50 ILE N N 50 117.237 119.527 -2.290 1 1 534 . 2 1 1 A 51 51 SER H H 51 7.870 7.934 -0.064 1 1 535 . 2 1 1 A 51 51 SER HA H 51 4.203 4.659 -0.456 1 1 538 . 2 1 1 A 51 51 SER C C 51 177.413 173.948 3.465 1 1 539 . 2 1 1 A 51 51 SER CA C 51 61.003 57.853 3.150 1 1 540 . 2 1 1 A 51 51 SER CB C 51 62.711 63.186 -0.475 1 1 541 . 2 1 1 A 51 51 SER N N 51 113.635 114.939 -1.304 1 1 542 . 2 1 1 A 52 52 ARG H H 52 8.386 7.663 0.723 1 1 543 . 2 1 1 A 52 52 ARG HA H 52 3.816 4.394 -0.578 1 1 551 . 2 1 1 A 52 52 ARG C C 52 178.788 174.938 3.850 1 1 552 . 2 1 1 A 52 52 ARG CA C 52 58.343 56.993 1.350 1 1 553 . 2 1 1 A 52 52 ARG CB C 52 30.053 32.419 -2.366 1 1 556 . 2 1 1 A 52 52 ARG N N 52 120.787 120.621 0.166 1 1 558 . 2 1 1 A 53 53 TYR H H 53 7.428 9.129 -1.701 1 1 559 . 2 1 1 A 53 53 TYR HA H 53 4.667 5.018 -0.351 1 1 562 . 2 1 1 A 53 53 TYR C C 53 174.743 175.497 -0.754 1 1 563 . 2 1 1 A 53 53 TYR CA C 53 57.922 55.986 1.936 1 1 564 . 2 1 1 A 53 53 TYR CB C 53 38.030 37.933 0.097 1 1 565 . 2 1 1 A 53 53 TYR N N 53 115.269 117.480 -2.211 1 1 566 . 2 1 1 A 54 54 ARG H H 54 7.775 8.010 -0.235 1 1 567 . 2 1 1 A 54 54 ARG HA H 54 4.249 4.079 0.170 1 1 570 . 2 1 1 A 54 54 ARG C C 54 177.121 176.446 0.675 1 1 571 . 2 1 1 A 54 54 ARG CA C 54 58.720 56.325 2.395 1 1 572 . 2 1 1 A 54 54 ARG CB C 54 29.345 31.489 -2.144 1 1 573 . 2 1 1 A 54 54 ARG N N 54 120.518 119.616 0.902 1 1 574 . 2 1 1 A 55 55 ARG H H 55 8.319 7.496 0.823 1 1 575 . 2 1 1 A 55 55 ARG HA H 55 4.249 4.166 0.083 1 1 577 . 2 1 1 A 55 55 ARG C C 55 177.395 175.996 1.399 1 1 578 . 2 1 1 A 55 55 ARG CA C 55 56.766 56.547 0.219 1 1 579 . 2 1 1 A 55 55 ARG CB C 55 29.231 30.606 -1.375 1 1 580 . 2 1 1 A 55 55 ARG N N 55 119.094 120.849 -1.755 1 1 581 . 2 1 1 A 56 56 LYS H H 56 8.062 8.958 -0.896 1 1 582 . 2 1 1 A 56 56 LYS HA H 56 4.069 4.612 -0.543 1 1 588 . 2 1 1 A 56 56 LYS C C 56 177.177 177.478 -0.301 1 1 589 . 2 1 1 A 56 56 LYS CA C 56 56.740 57.857 -1.117 1 1 590 . 2 1 1 A 56 56 LYS CB C 56 31.291 35.273 -3.982 1 1 594 . 2 1 1 A 56 56 LYS N N 56 121.271 124.502 -3.231 1 1 595 . 2 1 1 A 57 57 GLY H H 57 8.138 7.361 0.777 1 1 596 . 2 1 1 A 57 57 GLY HA2 H 57 4.055 4.112 -0.057 1 1 597 . 2 1 1 A 57 57 GLY HA3 H 57 3.766 4.156 -0.390 1 1 598 . 2 1 1 A 57 57 GLY C C 57 174.196 174.193 0.003 1 1 599 . 2 1 1 A 57 57 GLY CA C 57 45.336 45.566 -0.230 1 1 600 . 2 1 1 A 57 57 GLY N N 57 108.747 106.925 1.822 1 1 601 . 2 1 1 A 58 58 ASP H H 58 7.937 7.999 -0.062 1 1 602 . 2 1 1 A 58 58 ASP HA H 58 4.571 4.456 0.115 1 1 604 . 2 1 1 A 58 58 ASP CA C 58 54.548 55.199 -0.651 1 1 605 . 2 1 1 A 58 58 ASP CB C 58 40.254 41.078 -0.824 1 1 606 . 2 1 1 A 58 58 ASP N N 58 121.456 120.541 0.915 1 1 607 . 2 1 1 A 59 59 ALA H H 59 8.150 8.782 -0.632 1 1 608 . 2 1 1 A 59 59 ALA HA H 59 4.178 4.633 -0.455 1 1 612 . 2 1 1 A 59 59 ALA C C 59 177.927 177.288 0.639 1 1 613 . 2 1 1 A 59 59 ALA CA C 59 52.751 51.716 1.035 1 1 614 . 2 1 1 A 59 59 ALA CB C 59 18.062 21.381 -3.319 1 1 615 . 2 1 1 A 59 59 ALA N N 59 123.316 128.183 -4.867 1 1 616 . 2 1 1 A 60 60 GLY H H 60 8.190 7.880 0.310 1 1 617 . 2 1 1 A 60 60 GLY HA2 H 60 3.954 4.053 -0.099 1 1 618 . 2 1 1 A 60 60 GLY HA3 H 60 3.962 4.056 -0.094 1 1 619 . 2 1 1 A 60 60 GLY C C 60 174.572 174.849 -0.277 1 1 620 . 2 1 1 A 60 60 GLY CA C 60 45.301 45.148 0.153 1 1 621 . 2 1 1 A 60 60 GLY N N 60 107.588 105.581 2.007 1 1 622 . 2 1 1 A 61 61 GLY H H 61 8.014 8.363 -0.349 1 1 623 . 2 1 1 A 61 61 GLY HA2 H 61 4.068 4.246 -0.178 1 1 624 . 2 1 1 A 61 61 GLY HA3 H 61 3.882 4.335 -0.453 1 1 625 . 2 1 1 A 61 61 GLY C C 61 173.560 174.324 -0.764 1 1 626 . 2 1 1 A 61 61 GLY CA C 61 44.784 44.769 0.015 1 1 627 . 2 1 1 A 61 61 GLY N N 61 108.839 109.026 -0.187 1 1 628 . 2 1 1 A 62 62 LEU H H 62 8.038 8.420 -0.382 1 1 629 . 2 1 1 A 62 62 LEU HA H 62 4.528 4.790 -0.262 1 1 636 . 2 1 1 A 62 62 LEU C C 62 177.058 176.541 0.517 1 1 637 . 2 1 1 A 62 62 LEU CA C 62 54.038 53.885 0.153 1 1 638 . 2 1 1 A 62 62 LEU CB C 62 42.254 41.535 0.719 1 1 641 . 2 1 1 A 62 62 LEU N N 62 122.191 122.510 -0.319 1 1 642 . 2 1 1 A 63 63 LYS H H 63 9.378 8.081 1.297 1 1 643 . 2 1 1 A 63 63 LYS HA H 63 4.223 4.204 0.019 1 1 647 . 2 1 1 A 63 63 LYS C C 63 179.928 177.572 2.356 1 1 648 . 2 1 1 A 63 63 LYS CA C 63 58.665 57.983 0.682 1 1 649 . 2 1 1 A 63 63 LYS CB C 63 31.663 32.198 -0.535 1 1 651 . 2 1 1 A 63 63 LYS N N 63 129.582 118.416 11.166 1 1 652 . 2 1 1 A 64 64 SER H H 64 10.250 8.352 1.898 1 1 653 . 2 1 1 A 64 64 SER HA H 64 4.169 4.188 -0.019 1 1 656 . 2 1 1 A 64 64 SER C C 64 175.569 175.861 -0.292 1 1 657 . 2 1 1 A 64 64 SER CA C 64 61.010 62.355 -1.345 1 1 658 . 2 1 1 A 64 64 SER N N 64 117.647 114.768 2.879 1 1 659 . 2 1 1 A 65 65 PHE H H 65 7.035 8.155 -1.120 1 1 660 . 2 1 1 A 65 65 PHE HA H 65 4.444 4.262 0.182 1 1 663 . 2 1 1 A 65 65 PHE C C 65 176.884 177.583 -0.699 1 1 664 . 2 1 1 A 65 65 PHE CA C 65 61.911 61.581 0.330 1 1 665 . 2 1 1 A 65 65 PHE CB C 65 38.861 39.353 -0.492 1 1 666 . 2 1 1 A 65 65 PHE N N 65 123.056 122.786 0.270 1 1 667 . 2 1 1 A 66 66 THR H H 66 8.475 8.264 0.211 1 1 668 . 2 1 1 A 66 66 THR HA H 66 3.932 3.630 0.302 1 1 673 . 2 1 1 A 66 66 THR C C 66 176.884 176.848 0.036 1 1 674 . 2 1 1 A 66 66 THR CA C 66 66.236 66.417 -0.181 1 1 675 . 2 1 1 A 66 66 THR CB C 66 67.993 68.739 -0.746 1 1 677 . 2 1 1 A 66 66 THR N N 66 115.996 115.007 0.989 1 1 678 . 2 1 1 A 67 67 THR H H 67 8.100 7.518 0.582 1 1 679 . 2 1 1 A 67 67 THR HA H 67 3.979 4.129 -0.150 1 1 684 . 2 1 1 A 67 67 THR CA C 67 66.516 65.918 0.598 1 1 685 . 2 1 1 A 67 67 THR CB C 67 68.188 68.134 0.054 1 1 687 . 2 1 1 A 67 67 THR N N 67 120.365 113.895 6.470 1 1 688 . 2 1 1 A 68 68 MET H H 68 8.134 7.881 0.253 1 1 689 . 2 1 1 A 68 68 MET HA H 68 4.429 3.929 0.500 1 1 697 . 2 1 1 A 68 68 MET C C 68 177.682 178.625 -0.943 1 1 698 . 2 1 1 A 68 68 MET CA C 68 56.239 58.807 -2.568 1 1 699 . 2 1 1 A 68 68 MET CB C 68 30.516 31.965 -1.449 1 1 702 . 2 1 1 A 68 68 MET N N 68 120.545 119.872 0.673 1 1 703 . 2 1 1 A 69 69 GLN H H 69 9.139 7.023 2.116 1 1 704 . 2 1 1 A 69 69 GLN HA H 69 3.694 4.134 -0.440 1 1 711 . 2 1 1 A 69 69 GLN C C 69 177.433 178.471 -1.038 1 1 712 . 2 1 1 A 69 69 GLN CA C 69 59.779 58.241 1.538 1 1 713 . 2 1 1 A 69 69 GLN CB C 69 28.547 27.702 0.845 1 1 715 . 2 1 1 A 69 69 GLN N N 69 120.358 118.303 2.055 1 1 717 . 2 1 1 A 70 70 THR H H 70 7.809 7.849 -0.040 1 1 718 . 2 1 1 A 70 70 THR HA H 70 3.979 3.830 0.149 1 1 723 . 2 1 1 A 70 70 THR C C 70 176.394 176.352 0.042 1 1 724 . 2 1 1 A 70 70 THR CA C 70 66.028 66.638 -0.610 1 1 725 . 2 1 1 A 70 70 THR CB C 70 68.198 68.661 -0.463 1 1 727 . 2 1 1 A 70 70 THR N N 70 116.198 117.817 -1.619 1 1 728 . 2 1 1 A 71 71 ALA H H 71 7.859 8.378 -0.519 1 1 729 . 2 1 1 A 71 71 ALA HA H 71 3.994 4.183 -0.189 1 1 733 . 2 1 1 A 71 71 ALA CA C 71 54.902 55.044 -0.142 1 1 734 . 2 1 1 A 71 71 ALA CB C 71 17.926 18.104 -0.178 1 1 735 . 2 1 1 A 71 71 ALA N N 71 126.667 124.443 2.224 1 1 736 . 2 1 1 A 72 72 LEU H H 72 9.261 7.893 1.368 1 1 737 . 2 1 1 A 72 72 LEU HA H 72 3.915 4.131 -0.216 1 1 743 . 2 1 1 A 72 72 LEU C C 72 179.219 178.542 0.677 1 1 744 . 2 1 1 A 72 72 LEU CA C 72 58.406 57.930 0.476 1 1 745 . 2 1 1 A 72 72 LEU CB C 72 38.744 41.311 -2.567 1 1 747 . 2 1 1 A 72 72 LEU N N 72 119.657 120.517 -0.860 1 1 748 . 2 1 1 A 73 73 ASN H H 73 8.542 8.199 0.343 1 1 749 . 2 1 1 A 73 73 ASN HA H 73 4.606 4.501 0.105 1 1 754 . 2 1 1 A 73 73 ASN CA C 73 55.711 56.080 -0.369 1 1 755 . 2 1 1 A 73 73 ASN CB C 73 37.398 38.026 -0.628 1 1 756 . 2 1 1 A 73 73 ASN N N 73 118.851 116.974 1.877 1 1 758 . 2 1 1 A 74 74 SER H H 74 7.849 7.765 0.084 1 1 759 . 2 1 1 A 74 74 SER HA H 74 4.379 4.157 0.222 1 1 762 . 2 1 1 A 74 74 SER C C 74 175.881 177.401 -1.520 1 1 763 . 2 1 1 A 74 74 SER CA C 74 61.405 61.616 -0.211 1 1 764 . 2 1 1 A 74 74 SER N N 74 118.042 114.477 3.565 1 1 765 . 2 1 1 A 75 75 LEU H H 75 8.084 8.689 -0.605 1 1 766 . 2 1 1 A 75 75 LEU HA H 75 4.181 3.942 0.239 1 1 773 . 2 1 1 A 75 75 LEU C C 75 176.899 179.092 -2.193 1 1 774 . 2 1 1 A 75 75 LEU CA C 75 56.746 58.145 -1.399 1 1 775 . 2 1 1 A 75 75 LEU CB C 75 41.896 41.597 0.299 1 1 777 . 2 1 1 A 75 75 LEU N N 75 124.099 121.918 2.181 1 1 778 . 2 1 1 A 76 76 ALA H H 76 8.695 8.158 0.537 1 1 779 . 2 1 1 A 76 76 ALA HA H 76 4.134 4.137 -0.003 1 1 783 . 2 1 1 A 76 76 ALA C C 76 180.159 180.431 -0.272 1 1 784 . 2 1 1 A 76 76 ALA CA C 76 55.315 55.682 -0.367 1 1 785 . 2 1 1 A 76 76 ALA CB C 76 17.624 18.090 -0.466 1 1 786 . 2 1 1 A 76 76 ALA N N 76 121.934 120.127 1.807 1 1 787 . 2 1 1 A 77 77 GLY H H 77 8.198 8.320 -0.122 1 1 788 . 2 1 1 A 77 77 GLY HA2 H 77 3.917 3.621 0.296 1 1 789 . 2 1 1 A 77 77 GLY HA3 H 77 3.925 3.646 0.279 1 1 790 . 2 1 1 A 77 77 GLY C C 77 175.177 175.520 -0.343 1 1 791 . 2 1 1 A 77 77 GLY CA C 77 46.066 47.135 -1.069 1 1 792 . 2 1 1 A 77 77 GLY N N 77 105.613 105.975 -0.362 1 1 793 . 2 1 1 A 78 78 TYR H H 78 7.973 8.175 -0.202 1 1 794 . 2 1 1 A 78 78 TYR HA H 78 4.326 4.140 0.186 1 1 797 . 2 1 1 A 78 78 TYR C C 78 176.705 177.504 -0.799 1 1 798 . 2 1 1 A 78 78 TYR CA C 78 61.280 60.409 0.871 1 1 799 . 2 1 1 A 78 78 TYR CB C 78 37.737 39.078 -1.341 1 1 800 . 2 1 1 A 78 78 TYR N N 78 123.680 123.080 0.600 1 1 801 . 2 1 1 A 79 79 TYR H H 79 8.347 7.710 0.637 1 1 802 . 2 1 1 A 79 79 TYR HA H 79 4.750 4.309 0.441 1 1 805 . 2 1 1 A 79 79 TYR C C 79 178.135 175.693 2.442 1 1 806 . 2 1 1 A 79 79 TYR CA C 79 57.389 59.353 -1.964 1 1 807 . 2 1 1 A 79 79 TYR CB C 79 36.796 39.020 -2.224 1 1 808 . 2 1 1 A 79 79 TYR N N 79 119.870 119.899 -0.029 1 1 809 . 2 1 1 A 80 80 THR H H 80 8.180 7.553 0.627 1 1 810 . 2 1 1 A 80 80 THR HA H 80 4.208 4.374 -0.166 1 1 815 . 2 1 1 A 80 80 THR C C 80 175.302 174.985 0.317 1 1 816 . 2 1 1 A 80 80 THR CA C 80 64.276 60.839 3.437 1 1 817 . 2 1 1 A 80 80 THR CB C 80 69.098 71.025 -1.927 1 1 819 . 2 1 1 A 80 80 THR N N 80 114.967 113.777 1.190 1 1 820 . 2 1 1 A 81 81 SER H H 81 8.027 8.878 -0.851 1 1 821 . 2 1 1 A 81 81 SER HA H 81 4.214 4.058 0.156 1 1 824 . 2 1 1 A 81 81 SER C C 81 174.305 172.842 1.463 1 1 825 . 2 1 1 A 81 81 SER CA C 81 60.578 59.157 1.421 1 1 826 . 2 1 1 A 81 81 SER CB C 81 63.385 62.838 0.547 1 1 827 . 2 1 1 A 81 81 SER N N 81 116.664 120.964 -4.300 1 1 828 . 2 1 1 A 82 82 TYR H H 82 8.396 8.042 0.354 1 1 829 . 2 1 1 A 82 82 TYR HA H 82 4.612 4.625 -0.013 1 1 832 . 2 1 1 A 82 82 TYR C C 82 176.069 176.325 -0.256 1 1 833 . 2 1 1 A 82 82 TYR CA C 82 57.676 59.246 -1.570 1 1 834 . 2 1 1 A 82 82 TYR CB C 82 38.160 39.608 -1.448 1 1 835 . 2 1 1 A 82 82 TYR N N 82 119.325 119.575 -0.250 1 1 836 . 2 1 1 A 83 83 GLY H H 83 7.982 8.239 -0.257 1 1 837 . 2 1 1 A 83 83 GLY HA2 H 83 4.021 3.483 0.538 1 1 838 . 2 1 1 A 83 83 GLY HA3 H 83 3.877 3.700 0.177 1 1 839 . 2 1 1 A 83 83 GLY C C 83 178.820 174.865 3.955 1 1 840 . 2 1 1 A 83 83 GLY CA C 83 46.170 46.764 -0.594 1 1 841 . 2 1 1 A 83 83 GLY N N 83 111.287 107.004 4.283 1 1 842 . 2 1 1 A 84 84 ALA H H 84 8.505 8.498 0.007 1 1 843 . 2 1 1 A 84 84 ALA HA H 84 4.619 4.429 0.190 1 1 847 . 2 1 1 A 84 84 ALA C C 84 176.933 176.248 0.685 1 1 848 . 2 1 1 A 84 84 ALA CA C 84 51.514 51.890 -0.376 1 1 849 . 2 1 1 A 84 84 ALA CB C 84 18.109 18.304 -0.195 1 1 850 . 2 1 1 A 84 84 ALA N N 84 126.408 129.191 -2.783 1 1 851 . 2 1 1 A 85 85 ARG H H 85 8.057 8.319 -0.262 1 1 852 . 2 1 1 A 85 85 ARG HA H 85 4.696 4.838 -0.142 1 1 854 . 2 1 1 A 85 85 ARG CA C 85 53.887 52.839 1.048 1 1 855 . 2 1 1 A 85 85 ARG CB C 85 30.500 31.672 -1.172 1 1 856 . 2 1 1 A 85 85 ARG N N 85 123.060 117.347 5.713 1 1 857 . 2 1 1 A 86 86 PRO HA H 86 4.426 4.579 -0.153 1 1 862 . 2 1 1 A 86 86 PRO CA C 86 62.541 63.021 -0.480 1 1 863 . 2 1 1 A 86 86 PRO CB C 86 31.477 32.633 -1.156 1 1 864 . 2 1 1 A 87 87 ILE H H 87 8.449 8.405 0.044 1 1 865 . 2 1 1 A 87 87 ILE HA H 87 3.821 4.522 -0.701 1 1 875 . 2 1 1 A 87 87 ILE CA C 87 58.300 59.166 -0.866 1 1 876 . 2 1 1 A 87 87 ILE CB C 87 37.630 38.643 -1.013 1 1 880 . 2 1 1 A 87 87 ILE N N 87 125.558 122.304 3.254 1 1 881 . 2 1 1 A 88 88 PRO HA H 88 4.425 4.507 -0.082 1 1 884 . 2 1 1 A 88 88 PRO C C 88 177.001 177.731 -0.730 1 1 885 . 2 1 1 A 88 88 PRO CA C 88 62.298 63.075 -0.777 1 1 886 . 2 1 1 A 88 88 PRO CB C 88 32.070 32.617 -0.547 1 1 887 . 2 1 1 A 89 89 GLU H H 89 8.861 8.659 0.202 1 1 888 . 2 1 1 A 89 89 GLU HA H 89 3.871 3.957 -0.086 1 1 891 . 2 1 1 A 89 89 GLU C C 89 177.756 178.420 -0.664 1 1 892 . 2 1 1 A 89 89 GLU CA C 89 59.711 59.455 0.256 1 1 893 . 2 1 1 A 89 89 GLU CB C 89 29.119 29.381 -0.262 1 1 894 . 2 1 1 A 89 89 GLU N N 89 125.518 122.378 3.140 1 1 895 . 2 1 1 A 90 90 LYS H H 90 8.827 7.860 0.967 1 1 896 . 2 1 1 A 90 90 LYS HA H 90 3.969 4.097 -0.128 1 1 899 . 2 1 1 A 90 90 LYS C C 90 178.672 179.123 -0.451 1 1 900 . 2 1 1 A 90 90 LYS CA C 90 59.423 59.167 0.256 1 1 901 . 2 1 1 A 90 90 LYS CB C 90 31.820 32.454 -0.634 1 1 902 . 2 1 1 A 90 90 LYS N N 90 117.281 120.127 -2.846 1 1 903 . 2 1 1 A 91 91 LEU H H 91 6.857 8.005 -1.148 1 1 904 . 2 1 1 A 91 91 LEU HA H 91 4.212 4.010 0.202 1 1 911 . 2 1 1 A 91 91 LEU CA C 91 56.390 57.422 -1.032 1 1 912 . 2 1 1 A 91 91 LEU CB C 91 40.627 41.055 -0.428 1 1 915 . 2 1 1 A 91 91 LEU N N 91 120.818 119.487 1.331 1 1 916 . 2 1 1 A 92 92 LYS H H 92 8.156 8.435 -0.279 1 1 917 . 2 1 1 A 92 92 LYS HA H 92 3.558 3.973 -0.415 1 1 925 . 2 1 1 A 92 92 LYS C C 92 177.480 178.815 -1.335 1 1 926 . 2 1 1 A 92 92 LYS CA C 92 60.613 59.794 0.819 1 1 927 . 2 1 1 A 92 92 LYS CB C 92 31.812 32.115 -0.303 1 1 931 . 2 1 1 A 92 92 LYS N N 92 120.663 120.689 -0.026 1 1 932 . 2 1 1 A 93 93 LYS H H 93 8.156 8.130 0.026 1 1 933 . 2 1 1 A 93 93 LYS HA H 93 4.032 3.993 0.039 1 1 936 . 2 1 1 A 93 93 LYS C C 93 178.757 179.373 -0.616 1 1 937 . 2 1 1 A 93 93 LYS CA C 93 58.546 59.082 -0.536 1 1 938 . 2 1 1 A 93 93 LYS CB C 93 31.726 31.825 -0.099 1 1 939 . 2 1 1 A 93 93 LYS N N 93 116.478 118.861 -2.383 1 1 940 . 2 1 1 A 94 94 ARG H H 94 7.287 8.134 -0.847 1 1 941 . 2 1 1 A 94 94 ARG HA H 94 4.032 4.047 -0.015 1 1 948 . 2 1 1 A 94 94 ARG C C 94 177.872 178.438 -0.566 1 1 949 . 2 1 1 A 94 94 ARG CA C 94 58.639 59.224 -0.585 1 1 950 . 2 1 1 A 94 94 ARG CB C 94 29.490 30.476 -0.986 1 1 953 . 2 1 1 A 94 94 ARG N N 94 120.980 119.113 1.867 1 1 955 . 2 1 1 A 95 95 LEU H H 95 8.365 8.745 -0.380 1 1 956 . 2 1 1 A 95 95 LEU HA H 95 3.597 4.083 -0.486 1 1 960 . 2 1 1 A 95 95 LEU C C 95 177.342 178.977 -1.635 1 1 961 . 2 1 1 A 95 95 LEU CA C 95 57.009 56.940 0.069 1 1 962 . 2 1 1 A 95 95 LEU CB C 95 40.718 41.346 -0.628 1 1 964 . 2 1 1 A 95 95 LEU N N 95 119.611 119.227 0.384 1 1 965 . 2 1 1 A 96 96 GLN H H 96 8.126 8.381 -0.255 1 1 966 . 2 1 1 A 96 96 GLN HA H 96 4.033 4.194 -0.161 1 1 972 . 2 1 1 A 96 96 GLN C C 96 179.502 178.271 1.231 1 1 973 . 2 1 1 A 96 96 GLN CA C 96 58.743 58.670 0.073 1 1 974 . 2 1 1 A 96 96 GLN CB C 96 27.315 28.701 -1.386 1 1 976 . 2 1 1 A 96 96 GLN N N 96 115.986 119.528 -3.542 1 1 978 . 2 1 1 A 97 97 LEU H H 97 7.574 8.297 -0.723 1 1 979 . 2 1 1 A 97 97 LEU HA H 97 4.176 4.435 -0.259 1 1 983 . 2 1 1 A 97 97 LEU CA C 97 57.816 57.385 0.431 1 1 984 . 2 1 1 A 97 97 LEU CB C 97 41.107 41.981 -0.874 1 1 985 . 2 1 1 A 97 97 LEU N N 97 121.721 121.133 0.588 1 1 986 . 2 1 1 A 98 98 GLU H H 98 8.180 8.545 -0.365 1 1 987 . 2 1 1 A 98 98 GLU HA H 98 3.970 4.002 -0.032 1 1 989 . 2 1 1 A 98 98 GLU C C 98 178.852 178.943 -0.091 1 1 990 . 2 1 1 A 98 98 GLU CA C 98 59.074 59.431 -0.357 1 1 991 . 2 1 1 A 98 98 GLU CB C 98 28.376 29.332 -0.956 1 1 992 . 2 1 1 A 98 98 GLU N N 98 122.418 119.630 2.788 1 1 993 . 2 1 1 A 99 99 PHE H H 99 8.995 8.577 0.418 1 1 994 . 2 1 1 A 99 99 PHE HA H 99 4.560 4.139 0.421 1 1 997 . 2 1 1 A 99 99 PHE C C 99 178.050 177.845 0.205 1 1 998 . 2 1 1 A 99 99 PHE CA C 99 57.595 61.313 -3.718 1 1 999 . 2 1 1 A 99 99 PHE CB C 99 36.788 39.246 -2.458 1 1 1000 . 2 1 1 A 99 99 PHE N N 99 118.943 122.746 -3.803 1 1 1001 . 2 1 1 A 100 100 THR H H 100 7.985 8.700 -0.715 1 1 1002 . 2 1 1 A 100 100 THR HA H 100 4.097 3.594 0.503 1 1 1007 . 2 1 1 A 100 100 THR CA C 100 66.567 65.687 0.880 1 1 1008 . 2 1 1 A 100 100 THR CB C 100 68.200 68.108 0.092 1 1 1010 . 2 1 1 A 100 100 THR N N 100 117.633 112.584 5.049 1 1 1011 . 2 1 1 A 101 101 GLN H H 101 8.160 8.336 -0.176 1 1 1012 . 2 1 1 A 101 101 GLN HA H 101 4.017 3.952 0.065 1 1 1018 . 2 1 1 A 101 101 GLN C C 101 179.034 177.750 1.284 1 1 1019 . 2 1 1 A 101 101 GLN CA C 101 58.649 58.338 0.311 1 1 1020 . 2 1 1 A 101 101 GLN CB C 101 27.541 28.700 -1.159 1 1 1022 . 2 1 1 A 101 101 GLN N N 101 122.138 121.615 0.523 1 1 1024 . 2 1 1 A 102 102 ALA H H 102 8.768 8.634 0.134 1 1 1025 . 2 1 1 A 102 102 ALA HA H 102 4.036 4.004 0.032 1 1 1029 . 2 1 1 A 102 102 ALA C C 102 178.466 179.120 -0.654 1 1 1030 . 2 1 1 A 102 102 ALA CA C 102 55.525 55.455 0.070 1 1 1031 . 2 1 1 A 102 102 ALA CB C 102 18.046 18.228 -0.182 1 1 1032 . 2 1 1 A 102 102 ALA N N 102 124.541 121.566 2.975 1 1 1033 . 2 1 1 A 103 103 GLU H H 103 8.552 8.506 0.046 1 1 1034 . 2 1 1 A 103 103 GLU HA H 103 3.680 3.960 -0.280 1 1 1039 . 2 1 1 A 103 103 GLU C C 103 178.447 178.431 0.016 1 1 1040 . 2 1 1 A 103 103 GLU CA C 103 59.802 59.418 0.384 1 1 1041 . 2 1 1 A 103 103 GLU CB C 103 29.672 28.926 0.746 1 1 1043 . 2 1 1 A 103 103 GLU N N 103 120.048 118.397 1.651 1 1 1044 . 2 1 1 A 104 104 ARG H H 104 8.242 8.283 -0.041 1 1 1045 . 2 1 1 A 104 104 ARG HA H 104 4.214 3.983 0.231 1 1 1048 . 2 1 1 A 104 104 ARG C C 104 178.958 178.197 0.761 1 1 1049 . 2 1 1 A 104 104 ARG CA C 104 58.135 59.210 -1.075 1 1 1050 . 2 1 1 A 104 104 ARG CB C 104 29.742 29.722 0.020 1 1 1051 . 2 1 1 A 104 104 ARG N N 104 119.448 120.268 -0.820 1 1 1052 . 2 1 1 A 105 105 SER H H 105 8.087 7.753 0.334 1 1 1053 . 2 1 1 A 105 105 SER HA H 105 4.290 4.146 0.144 1 1 1056 . 2 1 1 A 105 105 SER CA C 105 61.917 62.121 -0.204 1 1 1057 . 2 1 1 A 105 105 SER N N 105 117.329 113.430 3.899 1 1 1058 . 2 1 1 A 106 106 ILE H H 106 8.403 7.677 0.726 1 1 1059 . 2 1 1 A 106 106 ILE HA H 106 4.113 3.542 0.571 1 1 1069 . 2 1 1 A 106 106 ILE CA C 106 61.487 65.317 -3.830 1 1 1070 . 2 1 1 A 106 106 ILE CB C 106 35.600 37.720 -2.120 1 1 1074 . 2 1 1 A 106 106 ILE N N 106 124.394 121.249 3.145 1 1 1075 . 2 1 1 A 107 107 GLU H H 107 8.187 7.886 0.301 1 1 1076 . 2 1 1 A 107 107 GLU HA H 107 4.126 4.200 -0.074 1 1 1079 . 2 1 1 A 107 107 GLU C C 107 177.494 176.025 1.469 1 1 1080 . 2 1 1 A 107 107 GLU CA C 107 58.849 58.483 0.366 1 1 1081 . 2 1 1 A 107 107 GLU CB C 107 29.052 30.261 -1.209 1 1 1082 . 2 1 1 A 107 107 GLU N N 107 123.223 121.394 1.829 1 1 1083 . 2 1 1 A 108 108 ARG H H 108 7.651 7.926 -0.275 1 1 1084 . 2 1 1 A 108 108 ARG HA H 108 4.431 3.947 0.484 1 1 1090 . 2 1 1 A 108 108 ARG C C 108 175.927 176.514 -0.587 1 1 1091 . 2 1 1 A 108 108 ARG CA C 108 55.584 57.212 -1.628 1 1 1092 . 2 1 1 A 108 108 ARG CB C 108 30.806 26.777 4.029 1 1 1094 . 2 1 1 A 108 108 ARG N N 108 117.394 116.659 0.735 1 1 1095 . 2 1 1 A 109 109 GLY H H 109 8.190 7.897 0.293 1 1 1096 . 2 1 1 A 109 109 GLY HA2 H 109 4.141 3.889 0.252 1 1 1097 . 2 1 1 A 109 109 GLY HA3 H 109 4.060 3.900 0.160 1 1 1098 . 2 1 1 A 109 109 GLY C C 109 174.031 174.137 -0.106 1 1 1099 . 2 1 1 A 109 109 GLY CA C 109 45.823 45.413 0.410 1 1 1100 . 2 1 1 A 109 109 GLY N N 109 110.712 105.494 5.218 1 1 7 . 3 1 1 A 2 2 ASP H H 2 8.644 8.098 0.546 1 1 8 . 3 1 1 A 2 2 ASP HA H 2 4.373 4.398 -0.025 1 1 11 . 3 1 1 A 2 2 ASP C C 2 178.938 175.678 3.260 1 1 12 . 3 1 1 A 2 2 ASP CA C 2 53.794 56.433 -2.639 1 1 13 . 3 1 1 A 2 2 ASP CB C 2 41.025 40.770 0.255 1 1 14 . 3 1 1 A 2 2 ASP N N 2 122.106 121.934 0.172 1 1 15 . 3 1 1 A 3 3 SER H H 3 8.508 7.837 0.671 1 1 16 . 3 1 1 A 3 3 SER HA H 3 4.331 4.760 -0.429 1 1 19 . 3 1 1 A 3 3 SER C C 3 174.777 174.524 0.253 1 1 20 . 3 1 1 A 3 3 SER CA C 3 58.141 56.235 1.906 1 1 21 . 3 1 1 A 3 3 SER CB C 3 63.359 65.588 -2.229 1 1 22 . 3 1 1 A 3 3 SER N N 3 117.604 110.347 7.257 1 1 23 . 3 1 1 A 4 4 GLY H H 4 8.603 8.601 0.002 1 1 24 . 3 1 1 A 4 4 GLY HA2 H 4 4.130 4.078 0.052 1 1 25 . 3 1 1 A 4 4 GLY HA3 H 4 4.076 4.086 -0.010 1 1 26 . 3 1 1 A 4 4 GLY C C 4 174.283 172.804 1.479 1 1 27 . 3 1 1 A 4 4 GLY CA C 4 45.054 44.985 0.069 1 1 28 . 3 1 1 A 4 4 GLY N N 4 111.842 110.522 1.320 1 1 29 . 3 1 1 A 5 5 THR H H 5 8.140 8.709 -0.569 1 1 30 . 3 1 1 A 5 5 THR HA H 5 4.371 4.737 -0.366 1 1 35 . 3 1 1 A 5 5 THR C C 5 174.827 173.761 1.066 1 1 36 . 3 1 1 A 5 5 THR CA C 5 61.515 61.100 0.415 1 1 37 . 3 1 1 A 5 5 THR CB C 5 69.683 71.441 -1.758 1 1 39 . 3 1 1 A 5 5 THR N N 5 112.188 112.416 -0.228 1 1 40 . 3 1 1 A 6 6 GLY H H 6 8.425 8.254 0.171 1 1 41 . 3 1 1 A 6 6 GLY HA2 H 6 4.109 4.004 0.105 1 1 42 . 3 1 1 A 6 6 GLY HA3 H 6 3.875 4.014 -0.139 1 1 43 . 3 1 1 A 6 6 GLY C C 6 173.670 175.108 -1.438 1 1 44 . 3 1 1 A 6 6 GLY CA C 6 44.466 45.890 -1.424 1 1 45 . 3 1 1 A 6 6 GLY N N 6 110.955 112.691 -1.736 1 1 46 . 3 1 1 A 7 7 LEU H H 7 7.993 7.993 0.000 1 1 47 . 3 1 1 A 7 7 LEU HA H 7 4.503 3.970 0.533 1 1 53 . 3 1 1 A 7 7 LEU C C 7 177.284 175.849 1.435 1 1 54 . 3 1 1 A 7 7 LEU CA C 7 54.741 56.647 -1.906 1 1 55 . 3 1 1 A 7 7 LEU CB C 7 39.284 39.926 -0.642 1 1 58 . 3 1 1 A 7 7 LEU N N 7 121.268 116.053 5.215 1 1 59 . 3 1 1 A 8 8 THR H H 8 10.385 8.162 2.223 1 1 60 . 3 1 1 A 8 8 THR HA H 8 4.521 3.868 0.653 1 1 65 . 3 1 1 A 8 8 THR C C 8 176.965 174.738 2.227 1 1 66 . 3 1 1 A 8 8 THR CA C 8 64.563 63.028 1.535 1 1 67 . 3 1 1 A 8 8 THR CB C 8 71.946 66.506 5.440 1 1 69 . 3 1 1 A 8 8 THR N N 8 113.472 108.037 5.435 1 1 70 . 3 1 1 A 9 9 GLY H H 9 9.733 8.097 1.636 1 1 71 . 3 1 1 A 9 9 GLY HA2 H 9 4.391 2.973 1.418 1 1 72 . 3 1 1 A 9 9 GLY HA3 H 9 3.805 3.641 0.164 1 1 73 . 3 1 1 A 9 9 GLY C C 9 173.133 174.439 -1.306 1 1 74 . 3 1 1 A 9 9 GLY CA C 9 45.453 45.796 -0.343 1 1 75 . 3 1 1 A 9 9 GLY N N 9 114.948 106.180 8.768 1 1 76 . 3 1 1 A 10 10 ASN H H 10 7.664 7.758 -0.094 1 1 77 . 3 1 1 A 10 10 ASN HA H 10 4.906 4.635 0.271 1 1 82 . 3 1 1 A 10 10 ASN C C 10 173.098 174.580 -1.482 1 1 83 . 3 1 1 A 10 10 ASN CA C 10 51.504 54.005 -2.501 1 1 84 . 3 1 1 A 10 10 ASN CB C 10 38.449 39.320 -0.871 1 1 85 . 3 1 1 A 10 10 ASN N N 10 120.991 117.694 3.297 1 1 87 . 3 1 1 A 11 11 TYR H H 11 8.892 8.719 0.173 1 1 88 . 3 1 1 A 11 11 TYR HA H 11 3.767 5.044 -1.277 1 1 91 . 3 1 1 A 11 11 TYR C C 11 177.871 177.321 0.550 1 1 92 . 3 1 1 A 11 11 TYR CA C 11 61.897 60.123 1.774 1 1 93 . 3 1 1 A 11 11 TYR CB C 11 38.099 39.947 -1.848 1 1 94 . 3 1 1 A 11 11 TYR N N 11 128.653 123.700 4.953 1 1 95 . 3 1 1 A 12 12 SER H H 12 8.729 8.389 0.340 1 1 96 . 3 1 1 A 12 12 SER HA H 12 3.747 3.741 0.006 1 1 99 . 3 1 1 A 12 12 SER C C 12 174.675 176.632 -1.957 1 1 100 . 3 1 1 A 12 12 SER CA C 12 62.371 61.415 0.956 1 1 101 . 3 1 1 A 12 12 SER CB C 12 61.600 62.656 -1.056 1 1 102 . 3 1 1 A 12 12 SER N N 12 119.446 114.581 4.865 1 1 103 . 3 1 1 A 13 13 GLN H H 13 7.645 7.993 -0.348 1 1 104 . 3 1 1 A 13 13 GLN HA H 13 3.955 3.985 -0.030 1 1 110 . 3 1 1 A 13 13 GLN C C 13 178.400 178.474 -0.074 1 1 111 . 3 1 1 A 13 13 GLN CA C 13 58.083 59.056 -0.973 1 1 112 . 3 1 1 A 13 13 GLN CB C 13 28.328 28.338 -0.010 1 1 114 . 3 1 1 A 13 13 GLN N N 13 121.234 121.254 -0.020 1 1 116 . 3 1 1 A 14 14 ASP H H 14 9.314 7.891 1.423 1 1 117 . 3 1 1 A 14 14 ASP HA H 14 4.513 4.447 0.066 1 1 120 . 3 1 1 A 14 14 ASP C C 14 177.320 178.142 -0.822 1 1 121 . 3 1 1 A 14 14 ASP CA C 14 56.778 57.361 -0.583 1 1 122 . 3 1 1 A 14 14 ASP CB C 14 40.380 41.033 -0.653 1 1 123 . 3 1 1 A 14 14 ASP N N 14 120.095 119.702 0.393 1 1 124 . 3 1 1 A 15 15 THR H H 15 8.283 8.103 0.180 1 1 125 . 3 1 1 A 15 15 THR HA H 15 3.637 4.048 -0.411 1 1 130 . 3 1 1 A 15 15 THR C C 15 174.455 176.997 -2.542 1 1 131 . 3 1 1 A 15 15 THR CA C 15 67.657 66.088 1.569 1 1 132 . 3 1 1 A 15 15 THR CB C 15 67.465 68.167 -0.702 1 1 134 . 3 1 1 A 15 15 THR N N 15 117.657 112.615 5.042 1 1 135 . 3 1 1 A 16 16 LEU H H 16 7.452 7.979 -0.527 1 1 136 . 3 1 1 A 16 16 LEU HA H 16 3.919 3.979 -0.060 1 1 140 . 3 1 1 A 16 16 LEU C C 16 179.666 179.109 0.557 1 1 141 . 3 1 1 A 16 16 LEU CA C 16 57.864 58.033 -0.169 1 1 142 . 3 1 1 A 16 16 LEU CB C 16 39.811 41.720 -1.909 1 1 144 . 3 1 1 A 16 16 LEU N N 16 120.034 122.139 -2.105 1 1 145 . 3 1 1 A 17 17 THR H H 17 8.708 7.638 1.070 1 1 146 . 3 1 1 A 17 17 THR HA H 17 3.893 3.947 -0.054 1 1 151 . 3 1 1 A 17 17 THR C C 17 179.666 176.844 2.822 1 1 152 . 3 1 1 A 17 17 THR CA C 17 66.152 66.890 -0.738 1 1 153 . 3 1 1 A 17 17 THR CB C 17 67.921 68.669 -0.748 1 1 155 . 3 1 1 A 17 17 THR N N 17 121.382 115.887 5.495 1 1 156 . 3 1 1 A 18 18 VAL H H 18 8.194 8.291 -0.097 1 1 157 . 3 1 1 A 18 18 VAL HA H 18 3.705 3.580 0.125 1 1 165 . 3 1 1 A 18 18 VAL C C 18 177.242 177.968 -0.726 1 1 166 . 3 1 1 A 18 18 VAL CA C 18 65.886 67.131 -1.245 1 1 167 . 3 1 1 A 18 18 VAL CB C 18 30.729 31.863 -1.134 1 1 170 . 3 1 1 A 18 18 VAL N N 18 123.227 121.381 1.846 1 1 171 . 3 1 1 A 19 19 ILE H H 19 7.933 9.134 -1.201 1 1 172 . 3 1 1 A 19 19 ILE HA H 19 2.633 3.716 -1.083 1 1 182 . 3 1 1 A 19 19 ILE C C 19 176.276 177.896 -1.620 1 1 183 . 3 1 1 A 19 19 ILE CA C 19 66.137 65.686 0.451 1 1 184 . 3 1 1 A 19 19 ILE CB C 19 37.782 37.530 0.252 1 1 188 . 3 1 1 A 19 19 ILE N N 19 119.786 119.365 0.421 1 1 189 . 3 1 1 A 20 20 ALA H H 20 7.782 8.765 -0.983 1 1 190 . 3 1 1 A 20 20 ALA HA H 20 3.972 4.024 -0.052 1 1 194 . 3 1 1 A 20 20 ALA C C 20 180.867 179.985 0.882 1 1 195 . 3 1 1 A 20 20 ALA CA C 20 55.170 55.146 0.024 1 1 196 . 3 1 1 A 20 20 ALA CB C 20 17.282 18.128 -0.846 1 1 197 . 3 1 1 A 20 20 ALA N N 20 121.793 122.062 -0.269 1 1 198 . 3 1 1 A 21 21 THR H H 21 8.573 7.536 1.037 1 1 199 . 3 1 1 A 21 21 THR HA H 21 3.902 3.995 -0.093 1 1 204 . 3 1 1 A 21 21 THR C C 21 176.720 177.190 -0.470 1 1 205 . 3 1 1 A 21 21 THR CA C 21 65.200 66.382 -1.182 1 1 206 . 3 1 1 A 21 21 THR CB C 21 68.092 68.344 -0.252 1 1 208 . 3 1 1 A 21 21 THR N N 21 118.393 113.993 4.400 1 1 209 . 3 1 1 A 22 22 LEU H H 22 8.583 8.078 0.505 1 1 210 . 3 1 1 A 22 22 LEU HA H 22 4.065 3.953 0.112 1 1 217 . 3 1 1 A 22 22 LEU C C 22 178.284 179.106 -0.822 1 1 218 . 3 1 1 A 22 22 LEU CA C 22 57.005 57.888 -0.883 1 1 219 . 3 1 1 A 22 22 LEU CB C 22 40.209 41.599 -1.390 1 1 223 . 3 1 1 A 22 22 LEU N N 22 122.517 122.112 0.405 1 1 224 . 3 1 1 A 23 23 ARG H H 23 8.858 8.764 0.094 1 1 225 . 3 1 1 A 23 23 ARG HA H 23 3.873 4.245 -0.372 1 1 230 . 3 1 1 A 23 23 ARG C C 23 178.503 179.132 -0.629 1 1 231 . 3 1 1 A 23 23 ARG CA C 23 60.362 59.568 0.794 1 1 232 . 3 1 1 A 23 23 ARG CB C 23 29.808 29.933 -0.125 1 1 235 . 3 1 1 A 23 23 ARG N N 23 120.502 118.078 2.424 1 1 237 . 3 1 1 A 24 24 GLU H H 24 7.250 7.861 -0.611 1 1 238 . 3 1 1 A 24 24 GLU HA H 24 4.109 4.092 0.017 1 1 243 . 3 1 1 A 24 24 GLU CA C 24 58.312 59.254 -0.942 1 1 244 . 3 1 1 A 24 24 GLU CB C 24 29.024 28.654 0.370 1 1 246 . 3 1 1 A 24 24 GLU N N 24 117.221 119.661 -2.440 1 1 247 . 3 1 1 A 25 25 ALA H H 25 8.223 8.061 0.162 1 1 248 . 3 1 1 A 25 25 ALA HA H 25 3.983 4.170 -0.187 1 1 252 . 3 1 1 A 25 25 ALA C C 25 180.617 179.507 1.110 1 1 253 . 3 1 1 A 25 25 ALA CA C 25 55.203 55.108 0.095 1 1 254 . 3 1 1 A 25 25 ALA CB C 25 17.657 18.554 -0.897 1 1 255 . 3 1 1 A 25 25 ALA N N 25 121.823 122.779 -0.956 1 1 256 . 3 1 1 A 26 26 ILE H H 26 8.552 7.365 1.187 1 1 257 . 3 1 1 A 26 26 ILE HA H 26 4.144 3.837 0.307 1 1 267 . 3 1 1 A 26 26 ILE C C 26 175.586 176.333 -0.747 1 1 268 . 3 1 1 A 26 26 ILE CA C 26 63.790 62.761 1.029 1 1 269 . 3 1 1 A 26 26 ILE CB C 26 37.496 38.703 -1.207 1 1 273 . 3 1 1 A 26 26 ILE N N 26 112.838 118.578 -5.740 1 1 274 . 3 1 1 A 27 27 ASP H H 27 7.175 7.461 -0.286 1 1 275 . 3 1 1 A 27 27 ASP HA H 27 4.934 4.865 0.069 1 1 278 . 3 1 1 A 27 27 ASP C C 27 175.602 175.794 -0.192 1 1 279 . 3 1 1 A 27 27 ASP CA C 27 53.160 52.977 0.183 1 1 280 . 3 1 1 A 27 27 ASP CB C 27 41.754 40.806 0.948 1 1 281 . 3 1 1 A 27 27 ASP N N 27 120.840 118.299 2.541 1 1 282 . 3 1 1 A 28 28 LEU H H 28 7.136 7.841 -0.705 1 1 283 . 3 1 1 A 28 28 LEU HA H 28 4.510 4.511 -0.001 1 1 290 . 3 1 1 A 28 28 LEU CA C 28 53.379 53.452 -0.073 1 1 291 . 3 1 1 A 28 28 LEU CB C 28 42.286 41.912 0.374 1 1 294 . 3 1 1 A 28 28 LEU N N 28 124.155 117.656 6.499 1 1 295 . 3 1 1 A 29 29 PRO HA H 29 4.552 4.528 0.024 1 1 301 . 3 1 1 A 29 29 PRO C C 29 177.414 177.080 0.334 1 1 302 . 3 1 1 A 29 29 PRO CA C 29 62.506 62.823 -0.317 1 1 303 . 3 1 1 A 29 29 PRO CB C 29 32.263 32.538 -0.275 1 1 305 . 3 1 1 A 30 30 GLN H H 30 8.935 8.596 0.339 1 1 306 . 3 1 1 A 30 30 GLN HA H 30 3.966 4.107 -0.141 1 1 311 . 3 1 1 A 30 30 GLN C C 30 175.595 176.903 -1.308 1 1 312 . 3 1 1 A 30 30 GLN CA C 30 58.036 58.241 -0.205 1 1 313 . 3 1 1 A 30 30 GLN CB C 30 28.116 28.457 -0.341 1 1 315 . 3 1 1 A 30 30 GLN N N 30 122.119 121.346 0.773 1 1 317 . 3 1 1 A 31 31 ASP H H 31 8.353 7.992 0.361 1 1 318 . 3 1 1 A 31 31 ASP HA H 31 4.682 4.613 0.069 1 1 321 . 3 1 1 A 31 31 ASP C C 31 175.518 175.905 -0.387 1 1 322 . 3 1 1 A 31 31 ASP CA C 31 52.178 54.664 -2.486 1 1 323 . 3 1 1 A 31 31 ASP CB C 31 39.270 41.251 -1.981 1 1 324 . 3 1 1 A 31 31 ASP N N 31 115.909 119.147 -3.238 1 1 325 . 3 1 1 A 32 32 ALA H H 32 7.467 7.709 -0.242 1 1 326 . 3 1 1 A 32 32 ALA HA H 32 4.564 4.807 -0.243 1 1 330 . 3 1 1 A 32 32 ALA CA C 32 50.496 49.704 0.792 1 1 331 . 3 1 1 A 32 32 ALA CB C 32 17.852 19.046 -1.194 1 1 332 . 3 1 1 A 32 32 ALA N N 32 124.893 122.198 2.695 1 1 333 . 3 1 1 A 33 33 PRO HA H 33 4.494 4.497 -0.003 1 1 339 . 3 1 1 A 33 33 PRO C C 33 176.278 176.159 0.119 1 1 340 . 3 1 1 A 33 33 PRO CA C 33 63.894 63.424 0.470 1 1 341 . 3 1 1 A 33 33 PRO CB C 33 31.354 30.875 0.479 1 1 344 . 3 1 1 A 34 34 ASN H H 34 8.577 8.898 -0.321 1 1 345 . 3 1 1 A 34 34 ASN HA H 34 5.041 5.204 -0.163 1 1 350 . 3 1 1 A 34 34 ASN C C 34 174.678 174.572 0.106 1 1 351 . 3 1 1 A 34 34 ASN CA C 34 51.792 52.195 -0.403 1 1 352 . 3 1 1 A 34 34 ASN CB C 34 36.334 39.286 -2.952 1 1 353 . 3 1 1 A 34 34 ASN N N 34 115.598 118.689 -3.091 1 1 355 . 3 1 1 A 35 35 ARG H H 35 7.401 8.242 -0.841 1 1 356 . 3 1 1 A 35 35 ARG HA H 35 3.726 4.094 -0.368 1 1 363 . 3 1 1 A 35 35 ARG C C 35 176.887 178.502 -1.615 1 1 364 . 3 1 1 A 35 35 ARG CA C 35 60.063 59.169 0.894 1 1 365 . 3 1 1 A 35 35 ARG CB C 35 29.571 29.873 -0.302 1 1 368 . 3 1 1 A 35 35 ARG N N 35 119.690 119.972 -0.282 1 1 370 . 3 1 1 A 36 36 GLN H H 36 8.780 8.111 0.669 1 1 371 . 3 1 1 A 36 36 GLN HA H 36 3.805 4.017 -0.212 1 1 377 . 3 1 1 A 36 36 GLN CA C 36 58.618 59.130 -0.512 1 1 378 . 3 1 1 A 36 36 GLN CB C 36 27.595 28.606 -1.011 1 1 380 . 3 1 1 A 36 36 GLN N N 36 119.100 120.052 -0.952 1 1 382 . 3 1 1 A 37 37 GLU H H 37 8.128 7.906 0.222 1 1 383 . 3 1 1 A 37 37 GLU HA H 37 4.137 4.120 0.017 1 1 387 . 3 1 1 A 37 37 GLU C C 37 179.222 179.380 -0.158 1 1 388 . 3 1 1 A 37 37 GLU CA C 37 59.336 59.042 0.294 1 1 389 . 3 1 1 A 37 37 GLU CB C 37 28.781 29.480 -0.699 1 1 391 . 3 1 1 A 37 37 GLU N N 37 120.485 120.029 0.456 1 1 392 . 3 1 1 A 38 38 VAL H H 38 8.127 8.000 0.127 1 1 393 . 3 1 1 A 38 38 VAL HA H 38 3.708 3.704 0.004 1 1 401 . 3 1 1 A 38 38 VAL C C 38 178.246 178.120 0.126 1 1 402 . 3 1 1 A 38 38 VAL CA C 38 66.019 66.415 -0.396 1 1 403 . 3 1 1 A 38 38 VAL CB C 38 31.008 31.632 -0.624 1 1 406 . 3 1 1 A 38 38 VAL N N 38 121.937 120.801 1.136 1 1 407 . 3 1 1 A 39 39 GLN H H 39 8.324 8.056 0.268 1 1 408 . 3 1 1 A 39 39 GLN HA H 39 3.764 4.058 -0.294 1 1 415 . 3 1 1 A 39 39 GLN C C 39 177.642 177.446 0.196 1 1 416 . 3 1 1 A 39 39 GLN CA C 39 59.019 58.776 0.243 1 1 417 . 3 1 1 A 39 39 GLN CB C 39 27.176 28.669 -1.493 1 1 419 . 3 1 1 A 39 39 GLN N N 39 120.203 119.964 0.239 1 1 421 . 3 1 1 A 40 40 ASP H H 40 8.699 8.740 -0.041 1 1 422 . 3 1 1 A 40 40 ASP HA H 40 4.391 4.239 0.152 1 1 425 . 3 1 1 A 40 40 ASP C C 40 179.726 178.643 1.083 1 1 426 . 3 1 1 A 40 40 ASP CA C 40 57.267 56.852 0.415 1 1 427 . 3 1 1 A 40 40 ASP CB C 40 39.458 41.323 -1.865 1 1 428 . 3 1 1 A 40 40 ASP N N 40 121.604 119.948 1.656 1 1 429 . 3 1 1 A 41 41 THR H H 41 8.449 7.719 0.730 1 1 430 . 3 1 1 A 41 41 THR HA H 41 3.981 3.913 0.068 1 1 435 . 3 1 1 A 41 41 THR CA C 41 66.254 65.197 1.057 1 1 436 . 3 1 1 A 41 41 THR CB C 41 67.937 68.434 -0.497 1 1 437 . 3 1 1 A 41 41 THR N N 41 121.386 115.935 5.451 1 1 438 . 3 1 1 A 42 42 ALA H H 42 8.552 7.739 0.813 1 1 439 . 3 1 1 A 42 42 ALA HA H 42 3.876 3.949 -0.073 1 1 443 . 3 1 1 A 42 42 ALA C C 42 178.300 179.930 -1.630 1 1 444 . 3 1 1 A 42 42 ALA CA C 42 55.244 55.087 0.157 1 1 445 . 3 1 1 A 42 42 ALA CB C 42 17.295 18.243 -0.948 1 1 446 . 3 1 1 A 42 42 ALA N N 42 126.245 123.575 2.670 1 1 447 . 3 1 1 A 43 43 ARG H H 43 8.553 7.626 0.927 1 1 448 . 3 1 1 A 43 43 ARG HA H 43 3.923 3.951 -0.028 1 1 451 . 3 1 1 A 43 43 ARG C C 43 178.522 178.929 -0.407 1 1 452 . 3 1 1 A 43 43 ARG CA C 43 59.680 59.506 0.174 1 1 453 . 3 1 1 A 43 43 ARG CB C 43 29.887 29.639 0.248 1 1 454 . 3 1 1 A 43 43 ARG N N 43 117.705 119.526 -1.821 1 1 455 . 3 1 1 A 44 44 GLY H H 44 8.049 8.012 0.037 1 1 456 . 3 1 1 A 44 44 GLY HA2 H 44 4.066 3.799 0.267 1 1 457 . 3 1 1 A 44 44 GLY HA3 H 44 3.972 3.805 0.167 1 1 458 . 3 1 1 A 44 44 GLY CA C 44 46.710 47.430 -0.720 1 1 459 . 3 1 1 A 44 44 GLY N N 44 106.443 106.778 -0.335 1 1 460 . 3 1 1 A 45 45 GLN H H 45 8.305 7.417 0.888 1 1 461 . 3 1 1 A 45 45 GLN HA H 45 4.204 4.106 0.098 1 1 466 . 3 1 1 A 45 45 GLN C C 45 177.942 178.680 -0.738 1 1 467 . 3 1 1 A 45 45 GLN CA C 45 59.930 58.706 1.224 1 1 468 . 3 1 1 A 45 45 GLN CB C 45 28.520 28.400 0.120 1 1 470 . 3 1 1 A 45 45 GLN N N 45 123.780 120.844 2.936 1 1 472 . 3 1 1 A 46 46 ILE H H 46 8.673 7.913 0.760 1 1 473 . 3 1 1 A 46 46 ILE HA H 46 3.594 3.748 -0.154 1 1 483 . 3 1 1 A 46 46 ILE C C 46 176.649 178.073 -1.424 1 1 484 . 3 1 1 A 46 46 ILE CA C 46 66.299 65.336 0.963 1 1 485 . 3 1 1 A 46 46 ILE CB C 46 37.762 37.300 0.462 1 1 489 . 3 1 1 A 46 46 ILE N N 46 120.050 121.060 -1.010 1 1 490 . 3 1 1 A 47 47 ASN H H 47 7.866 8.891 -1.025 1 1 491 . 3 1 1 A 47 47 ASN HA H 47 4.525 4.402 0.123 1 1 495 . 3 1 1 A 47 47 ASN C C 47 176.649 177.308 -0.659 1 1 496 . 3 1 1 A 47 47 ASN CA C 47 55.703 56.559 -0.856 1 1 497 . 3 1 1 A 47 47 ASN CB C 47 37.925 37.738 0.187 1 1 498 . 3 1 1 A 47 47 ASN N N 47 116.444 119.157 -2.713 1 1 500 . 3 1 1 A 48 48 ASP H H 48 8.185 7.681 0.504 1 1 501 . 3 1 1 A 48 48 ASP HA H 48 4.460 4.425 0.035 1 1 504 . 3 1 1 A 48 48 ASP C C 48 176.285 178.137 -1.852 1 1 505 . 3 1 1 A 48 48 ASP CA C 48 56.635 57.168 -0.533 1 1 506 . 3 1 1 A 48 48 ASP CB C 48 41.593 41.017 0.576 1 1 507 . 3 1 1 A 48 48 ASP N N 48 121.725 119.967 1.758 1 1 508 . 3 1 1 A 49 49 TYR H H 49 8.756 9.017 -0.261 1 1 509 . 3 1 1 A 49 49 TYR HA H 49 3.892 4.244 -0.352 1 1 512 . 3 1 1 A 49 49 TYR C C 49 176.432 176.911 -0.479 1 1 513 . 3 1 1 A 49 49 TYR CA C 49 62.617 61.311 1.306 1 1 514 . 3 1 1 A 49 49 TYR CB C 49 39.188 38.463 0.725 1 1 515 . 3 1 1 A 49 49 TYR N N 49 121.005 120.626 0.379 1 1 516 . 3 1 1 A 50 50 ILE H H 50 8.481 9.087 -0.606 1 1 517 . 3 1 1 A 50 50 ILE HA H 50 3.901 4.031 -0.130 1 1 527 . 3 1 1 A 50 50 ILE C C 50 177.407 176.386 1.021 1 1 528 . 3 1 1 A 50 50 ILE CA C 50 63.893 63.815 0.078 1 1 529 . 3 1 1 A 50 50 ILE CB C 50 36.668 38.378 -1.710 1 1 533 . 3 1 1 A 50 50 ILE N N 50 117.237 119.401 -2.164 1 1 534 . 3 1 1 A 51 51 SER H H 51 7.870 8.549 -0.679 1 1 535 . 3 1 1 A 51 51 SER HA H 51 4.203 4.735 -0.532 1 1 538 . 3 1 1 A 51 51 SER C C 51 177.413 173.958 3.455 1 1 539 . 3 1 1 A 51 51 SER CA C 51 61.003 57.109 3.894 1 1 540 . 3 1 1 A 51 51 SER CB C 51 62.711 63.802 -1.091 1 1 541 . 3 1 1 A 51 51 SER N N 51 113.635 115.744 -2.109 1 1 542 . 3 1 1 A 52 52 ARG H H 52 8.386 7.982 0.404 1 1 543 . 3 1 1 A 52 52 ARG HA H 52 3.816 4.625 -0.809 1 1 551 . 3 1 1 A 52 52 ARG C C 52 178.788 175.120 3.668 1 1 552 . 3 1 1 A 52 52 ARG CA C 52 58.343 57.543 0.800 1 1 553 . 3 1 1 A 52 52 ARG CB C 52 30.053 33.026 -2.973 1 1 556 . 3 1 1 A 52 52 ARG N N 52 120.787 123.224 -2.437 1 1 558 . 3 1 1 A 53 53 TYR H H 53 7.428 8.631 -1.203 1 1 559 . 3 1 1 A 53 53 TYR HA H 53 4.667 4.706 -0.039 1 1 562 . 3 1 1 A 53 53 TYR C C 53 174.743 174.612 0.131 1 1 563 . 3 1 1 A 53 53 TYR CA C 53 57.922 56.371 1.551 1 1 564 . 3 1 1 A 53 53 TYR CB C 53 38.030 38.419 -0.389 1 1 565 . 3 1 1 A 53 53 TYR N N 53 115.269 119.346 -4.077 1 1 566 . 3 1 1 A 54 54 ARG H H 54 7.775 8.177 -0.402 1 1 567 . 3 1 1 A 54 54 ARG HA H 54 4.249 4.427 -0.178 1 1 570 . 3 1 1 A 54 54 ARG C C 54 177.121 175.870 1.251 1 1 571 . 3 1 1 A 54 54 ARG CA C 54 58.720 55.230 3.490 1 1 572 . 3 1 1 A 54 54 ARG CB C 54 29.345 30.294 -0.949 1 1 573 . 3 1 1 A 54 54 ARG N N 54 120.518 119.817 0.701 1 1 574 . 3 1 1 A 55 55 ARG H H 55 8.319 7.941 0.378 1 1 575 . 3 1 1 A 55 55 ARG HA H 55 4.249 4.468 -0.219 1 1 577 . 3 1 1 A 55 55 ARG C C 55 177.395 176.578 0.817 1 1 578 . 3 1 1 A 55 55 ARG CA C 55 56.766 56.442 0.324 1 1 579 . 3 1 1 A 55 55 ARG CB C 55 29.231 32.867 -3.636 1 1 580 . 3 1 1 A 55 55 ARG N N 55 119.094 119.501 -0.407 1 1 581 . 3 1 1 A 56 56 LYS H H 56 8.062 8.282 -0.220 1 1 582 . 3 1 1 A 56 56 LYS HA H 56 4.069 4.197 -0.128 1 1 588 . 3 1 1 A 56 56 LYS C C 56 177.177 175.870 1.307 1 1 589 . 3 1 1 A 56 56 LYS CA C 56 56.740 57.544 -0.804 1 1 590 . 3 1 1 A 56 56 LYS CB C 56 31.291 31.605 -0.314 1 1 594 . 3 1 1 A 56 56 LYS N N 56 121.271 118.761 2.510 1 1 595 . 3 1 1 A 57 57 GLY H H 57 8.138 8.593 -0.455 1 1 596 . 3 1 1 A 57 57 GLY HA2 H 57 4.055 3.897 0.158 1 1 597 . 3 1 1 A 57 57 GLY HA3 H 57 3.766 3.906 -0.140 1 1 598 . 3 1 1 A 57 57 GLY C C 57 174.196 174.255 -0.059 1 1 599 . 3 1 1 A 57 57 GLY CA C 57 45.336 45.459 -0.123 1 1 600 . 3 1 1 A 57 57 GLY N N 57 108.747 105.677 3.070 1 1 601 . 3 1 1 A 58 58 ASP H H 58 7.937 8.033 -0.096 1 1 602 . 3 1 1 A 58 58 ASP HA H 58 4.571 4.219 0.352 1 1 604 . 3 1 1 A 58 58 ASP CA C 58 54.548 54.785 -0.237 1 1 605 . 3 1 1 A 58 58 ASP CB C 58 40.254 39.107 1.147 1 1 606 . 3 1 1 A 58 58 ASP N N 58 121.456 119.209 2.247 1 1 607 . 3 1 1 A 59 59 ALA H H 59 8.150 8.038 0.112 1 1 608 . 3 1 1 A 59 59 ALA HA H 59 4.178 4.387 -0.209 1 1 612 . 3 1 1 A 59 59 ALA C C 59 177.927 177.884 0.043 1 1 613 . 3 1 1 A 59 59 ALA CA C 59 52.751 51.189 1.562 1 1 614 . 3 1 1 A 59 59 ALA CB C 59 18.062 19.488 -1.426 1 1 615 . 3 1 1 A 59 59 ALA N N 59 123.316 121.590 1.726 1 1 616 . 3 1 1 A 60 60 GLY H H 60 8.190 7.903 0.287 1 1 617 . 3 1 1 A 60 60 GLY HA2 H 60 3.954 3.879 0.075 1 1 618 . 3 1 1 A 60 60 GLY HA3 H 60 3.962 3.882 0.080 1 1 619 . 3 1 1 A 60 60 GLY C C 60 174.572 174.954 -0.382 1 1 620 . 3 1 1 A 60 60 GLY CA C 60 45.301 44.911 0.390 1 1 621 . 3 1 1 A 60 60 GLY N N 60 107.588 105.682 1.906 1 1 622 . 3 1 1 A 61 61 GLY H H 61 8.014 8.398 -0.384 1 1 623 . 3 1 1 A 61 61 GLY HA2 H 61 4.068 3.953 0.115 1 1 624 . 3 1 1 A 61 61 GLY HA3 H 61 3.882 3.963 -0.081 1 1 625 . 3 1 1 A 61 61 GLY C C 61 173.560 173.387 0.173 1 1 626 . 3 1 1 A 61 61 GLY CA C 61 44.784 44.714 0.070 1 1 627 . 3 1 1 A 61 61 GLY N N 61 108.839 108.617 0.222 1 1 628 . 3 1 1 A 62 62 LEU H H 62 8.038 8.442 -0.404 1 1 629 . 3 1 1 A 62 62 LEU HA H 62 4.528 4.907 -0.379 1 1 636 . 3 1 1 A 62 62 LEU C C 62 177.058 178.133 -1.075 1 1 637 . 3 1 1 A 62 62 LEU CA C 62 54.038 53.272 0.766 1 1 638 . 3 1 1 A 62 62 LEU CB C 62 42.254 45.208 -2.954 1 1 641 . 3 1 1 A 62 62 LEU N N 62 122.191 121.577 0.614 1 1 642 . 3 1 1 A 63 63 LYS H H 63 9.378 9.066 0.312 1 1 643 . 3 1 1 A 63 63 LYS HA H 63 4.223 4.030 0.193 1 1 647 . 3 1 1 A 63 63 LYS C C 63 179.928 178.462 1.466 1 1 648 . 3 1 1 A 63 63 LYS CA C 63 58.665 59.330 -0.665 1 1 649 . 3 1 1 A 63 63 LYS CB C 63 31.663 32.130 -0.467 1 1 651 . 3 1 1 A 63 63 LYS N N 63 129.582 121.951 7.631 1 1 652 . 3 1 1 A 64 64 SER H H 64 10.250 8.273 1.977 1 1 653 . 3 1 1 A 64 64 SER HA H 64 4.169 4.337 -0.168 1 1 656 . 3 1 1 A 64 64 SER C C 64 175.569 176.728 -1.159 1 1 657 . 3 1 1 A 64 64 SER CA C 64 61.010 61.297 -0.287 1 1 658 . 3 1 1 A 64 64 SER N N 64 117.647 114.438 3.209 1 1 659 . 3 1 1 A 65 65 PHE H H 65 7.035 8.074 -1.039 1 1 660 . 3 1 1 A 65 65 PHE HA H 65 4.444 4.191 0.253 1 1 663 . 3 1 1 A 65 65 PHE C C 65 176.884 176.970 -0.086 1 1 664 . 3 1 1 A 65 65 PHE CA C 65 61.911 61.720 0.191 1 1 665 . 3 1 1 A 65 65 PHE CB C 65 38.861 39.208 -0.347 1 1 666 . 3 1 1 A 65 65 PHE N N 65 123.056 122.609 0.447 1 1 667 . 3 1 1 A 66 66 THR H H 66 8.475 8.006 0.469 1 1 668 . 3 1 1 A 66 66 THR HA H 66 3.932 3.839 0.093 1 1 673 . 3 1 1 A 66 66 THR C C 66 176.884 176.731 0.153 1 1 674 . 3 1 1 A 66 66 THR CA C 66 66.236 66.613 -0.377 1 1 675 . 3 1 1 A 66 66 THR CB C 66 67.993 68.427 -0.434 1 1 677 . 3 1 1 A 66 66 THR N N 66 115.996 115.385 0.611 1 1 678 . 3 1 1 A 67 67 THR H H 67 8.100 7.713 0.387 1 1 679 . 3 1 1 A 67 67 THR HA H 67 3.979 3.881 0.098 1 1 684 . 3 1 1 A 67 67 THR CA C 67 66.516 66.387 0.129 1 1 685 . 3 1 1 A 67 67 THR CB C 67 68.188 68.287 -0.099 1 1 687 . 3 1 1 A 67 67 THR N N 67 120.365 116.077 4.288 1 1 688 . 3 1 1 A 68 68 MET H H 68 8.134 7.533 0.601 1 1 689 . 3 1 1 A 68 68 MET HA H 68 4.429 3.790 0.639 1 1 697 . 3 1 1 A 68 68 MET C C 68 177.682 178.636 -0.954 1 1 698 . 3 1 1 A 68 68 MET CA C 68 56.239 58.988 -2.749 1 1 699 . 3 1 1 A 68 68 MET CB C 68 30.516 32.278 -1.762 1 1 702 . 3 1 1 A 68 68 MET N N 68 120.545 118.953 1.592 1 1 703 . 3 1 1 A 69 69 GLN H H 69 9.139 6.700 2.439 1 1 704 . 3 1 1 A 69 69 GLN HA H 69 3.694 4.056 -0.362 1 1 711 . 3 1 1 A 69 69 GLN C C 69 177.433 178.594 -1.161 1 1 712 . 3 1 1 A 69 69 GLN CA C 69 59.779 58.193 1.586 1 1 713 . 3 1 1 A 69 69 GLN CB C 69 28.547 27.800 0.747 1 1 715 . 3 1 1 A 69 69 GLN N N 69 120.358 117.902 2.456 1 1 717 . 3 1 1 A 70 70 THR H H 70 7.809 7.678 0.131 1 1 718 . 3 1 1 A 70 70 THR HA H 70 3.979 3.846 0.133 1 1 723 . 3 1 1 A 70 70 THR C C 70 176.394 176.230 0.164 1 1 724 . 3 1 1 A 70 70 THR CA C 70 66.028 66.632 -0.604 1 1 725 . 3 1 1 A 70 70 THR CB C 70 68.198 68.691 -0.493 1 1 727 . 3 1 1 A 70 70 THR N N 70 116.198 118.068 -1.870 1 1 728 . 3 1 1 A 71 71 ALA H H 71 7.859 8.863 -1.004 1 1 729 . 3 1 1 A 71 71 ALA HA H 71 3.994 4.058 -0.064 1 1 733 . 3 1 1 A 71 71 ALA CA C 71 54.902 55.053 -0.151 1 1 734 . 3 1 1 A 71 71 ALA CB C 71 17.926 18.043 -0.117 1 1 735 . 3 1 1 A 71 71 ALA N N 71 126.667 124.310 2.357 1 1 736 . 3 1 1 A 72 72 LEU H H 72 9.261 7.784 1.477 1 1 737 . 3 1 1 A 72 72 LEU HA H 72 3.915 4.069 -0.154 1 1 743 . 3 1 1 A 72 72 LEU C C 72 179.219 178.434 0.785 1 1 744 . 3 1 1 A 72 72 LEU CA C 72 58.406 58.034 0.372 1 1 745 . 3 1 1 A 72 72 LEU CB C 72 38.744 41.451 -2.707 1 1 747 . 3 1 1 A 72 72 LEU N N 72 119.657 120.485 -0.828 1 1 748 . 3 1 1 A 73 73 ASN H H 73 8.542 7.968 0.574 1 1 749 . 3 1 1 A 73 73 ASN HA H 73 4.606 4.401 0.205 1 1 754 . 3 1 1 A 73 73 ASN CA C 73 55.711 56.880 -1.169 1 1 755 . 3 1 1 A 73 73 ASN CB C 73 37.398 38.789 -1.391 1 1 756 . 3 1 1 A 73 73 ASN N N 73 118.851 117.768 1.083 1 1 758 . 3 1 1 A 74 74 SER H H 74 7.849 7.731 0.118 1 1 759 . 3 1 1 A 74 74 SER HA H 74 4.379 4.236 0.143 1 1 762 . 3 1 1 A 74 74 SER C C 74 175.881 176.761 -0.880 1 1 763 . 3 1 1 A 74 74 SER CA C 74 61.405 62.047 -0.642 1 1 764 . 3 1 1 A 74 74 SER N N 74 118.042 115.419 2.623 1 1 765 . 3 1 1 A 75 75 LEU H H 75 8.084 8.975 -0.891 1 1 766 . 3 1 1 A 75 75 LEU HA H 75 4.181 4.125 0.056 1 1 773 . 3 1 1 A 75 75 LEU C C 75 176.899 178.754 -1.855 1 1 774 . 3 1 1 A 75 75 LEU CA C 75 56.746 57.867 -1.121 1 1 775 . 3 1 1 A 75 75 LEU CB C 75 41.896 41.417 0.479 1 1 777 . 3 1 1 A 75 75 LEU N N 75 124.099 119.354 4.745 1 1 778 . 3 1 1 A 76 76 ALA H H 76 8.695 7.888 0.807 1 1 779 . 3 1 1 A 76 76 ALA HA H 76 4.134 4.128 0.006 1 1 783 . 3 1 1 A 76 76 ALA C C 76 180.159 179.845 0.314 1 1 784 . 3 1 1 A 76 76 ALA CA C 76 55.315 55.202 0.113 1 1 785 . 3 1 1 A 76 76 ALA CB C 76 17.624 18.384 -0.760 1 1 786 . 3 1 1 A 76 76 ALA N N 76 121.934 122.580 -0.646 1 1 787 . 3 1 1 A 77 77 GLY H H 77 8.198 8.339 -0.141 1 1 788 . 3 1 1 A 77 77 GLY HA2 H 77 3.917 3.630 0.287 1 1 789 . 3 1 1 A 77 77 GLY HA3 H 77 3.925 3.645 0.280 1 1 790 . 3 1 1 A 77 77 GLY C C 77 175.177 175.425 -0.248 1 1 791 . 3 1 1 A 77 77 GLY CA C 77 46.066 47.117 -1.051 1 1 792 . 3 1 1 A 77 77 GLY N N 77 105.613 106.081 -0.468 1 1 793 . 3 1 1 A 78 78 TYR H H 78 7.973 7.606 0.367 1 1 794 . 3 1 1 A 78 78 TYR HA H 78 4.326 4.119 0.207 1 1 797 . 3 1 1 A 78 78 TYR C C 78 176.705 177.429 -0.724 1 1 798 . 3 1 1 A 78 78 TYR CA C 78 61.280 61.112 0.168 1 1 799 . 3 1 1 A 78 78 TYR CB C 78 37.737 38.797 -1.060 1 1 800 . 3 1 1 A 78 78 TYR N N 78 123.680 123.497 0.183 1 1 801 . 3 1 1 A 79 79 TYR H H 79 8.347 7.736 0.611 1 1 802 . 3 1 1 A 79 79 TYR HA H 79 4.750 3.645 1.105 1 1 805 . 3 1 1 A 79 79 TYR C C 79 178.135 174.746 3.389 1 1 806 . 3 1 1 A 79 79 TYR CA C 79 57.389 61.385 -3.996 1 1 807 . 3 1 1 A 79 79 TYR CB C 79 36.796 38.783 -1.987 1 1 808 . 3 1 1 A 79 79 TYR N N 79 119.870 120.930 -1.060 1 1 809 . 3 1 1 A 80 80 THR H H 80 8.180 7.866 0.314 1 1 810 . 3 1 1 A 80 80 THR HA H 80 4.208 4.339 -0.131 1 1 815 . 3 1 1 A 80 80 THR C C 80 175.302 173.990 1.312 1 1 816 . 3 1 1 A 80 80 THR CA C 80 64.276 60.028 4.248 1 1 817 . 3 1 1 A 80 80 THR CB C 80 69.098 70.577 -1.479 1 1 819 . 3 1 1 A 80 80 THR N N 80 114.967 111.719 3.248 1 1 820 . 3 1 1 A 81 81 SER H H 81 8.027 8.743 -0.716 1 1 821 . 3 1 1 A 81 81 SER HA H 81 4.214 4.035 0.179 1 1 824 . 3 1 1 A 81 81 SER C C 81 174.305 175.274 -0.969 1 1 825 . 3 1 1 A 81 81 SER CA C 81 60.578 60.474 0.104 1 1 826 . 3 1 1 A 81 81 SER CB C 81 63.385 61.873 1.512 1 1 827 . 3 1 1 A 81 81 SER N N 81 116.664 116.862 -0.198 1 1 828 . 3 1 1 A 82 82 TYR H H 82 8.396 8.773 -0.377 1 1 829 . 3 1 1 A 82 82 TYR HA H 82 4.612 4.183 0.429 1 1 832 . 3 1 1 A 82 82 TYR C C 82 176.069 176.301 -0.232 1 1 833 . 3 1 1 A 82 82 TYR CA C 82 57.676 60.768 -3.092 1 1 834 . 3 1 1 A 82 82 TYR CB C 82 38.160 38.577 -0.417 1 1 835 . 3 1 1 A 82 82 TYR N N 82 119.325 125.323 -5.998 1 1 836 . 3 1 1 A 83 83 GLY H H 83 7.982 8.809 -0.827 1 1 837 . 3 1 1 A 83 83 GLY HA2 H 83 4.021 3.896 0.125 1 1 838 . 3 1 1 A 83 83 GLY HA3 H 83 3.877 3.934 -0.057 1 1 839 . 3 1 1 A 83 83 GLY C C 83 178.820 174.301 4.519 1 1 840 . 3 1 1 A 83 83 GLY CA C 83 46.170 45.731 0.439 1 1 841 . 3 1 1 A 83 83 GLY N N 83 111.287 107.588 3.699 1 1 842 . 3 1 1 A 84 84 ALA H H 84 8.505 7.834 0.671 1 1 843 . 3 1 1 A 84 84 ALA HA H 84 4.619 4.626 -0.007 1 1 847 . 3 1 1 A 84 84 ALA C C 84 176.933 176.052 0.881 1 1 848 . 3 1 1 A 84 84 ALA CA C 84 51.514 51.582 -0.068 1 1 849 . 3 1 1 A 84 84 ALA CB C 84 18.109 18.997 -0.888 1 1 850 . 3 1 1 A 84 84 ALA N N 84 126.408 121.238 5.170 1 1 851 . 3 1 1 A 85 85 ARG H H 85 8.057 8.419 -0.362 1 1 852 . 3 1 1 A 85 85 ARG HA H 85 4.696 4.719 -0.023 1 1 854 . 3 1 1 A 85 85 ARG CA C 85 53.887 52.871 1.016 1 1 855 . 3 1 1 A 85 85 ARG CB C 85 30.500 33.618 -3.118 1 1 856 . 3 1 1 A 85 85 ARG N N 85 123.060 119.716 3.344 1 1 857 . 3 1 1 A 86 86 PRO HA H 86 4.426 4.376 0.050 1 1 862 . 3 1 1 A 86 86 PRO CA C 86 62.541 63.281 -0.740 1 1 863 . 3 1 1 A 86 86 PRO CB C 86 31.477 31.716 -0.239 1 1 864 . 3 1 1 A 87 87 ILE H H 87 8.449 8.268 0.181 1 1 865 . 3 1 1 A 87 87 ILE HA H 87 3.821 4.067 -0.246 1 1 875 . 3 1 1 A 87 87 ILE CA C 87 58.300 60.227 -1.927 1 1 876 . 3 1 1 A 87 87 ILE CB C 87 37.630 38.012 -0.382 1 1 880 . 3 1 1 A 87 87 ILE N N 87 125.558 124.078 1.480 1 1 881 . 3 1 1 A 88 88 PRO HA H 88 4.425 4.515 -0.090 1 1 884 . 3 1 1 A 88 88 PRO C C 88 177.001 177.593 -0.592 1 1 885 . 3 1 1 A 88 88 PRO CA C 88 62.298 62.823 -0.525 1 1 886 . 3 1 1 A 88 88 PRO CB C 88 32.070 32.702 -0.632 1 1 887 . 3 1 1 A 89 89 GLU H H 89 8.861 8.678 0.183 1 1 888 . 3 1 1 A 89 89 GLU HA H 89 3.871 4.003 -0.132 1 1 891 . 3 1 1 A 89 89 GLU C C 89 177.756 178.675 -0.919 1 1 892 . 3 1 1 A 89 89 GLU CA C 89 59.711 59.300 0.411 1 1 893 . 3 1 1 A 89 89 GLU CB C 89 29.119 28.976 0.143 1 1 894 . 3 1 1 A 89 89 GLU N N 89 125.518 122.271 3.247 1 1 895 . 3 1 1 A 90 90 LYS H H 90 8.827 7.776 1.051 1 1 896 . 3 1 1 A 90 90 LYS HA H 90 3.969 4.082 -0.113 1 1 899 . 3 1 1 A 90 90 LYS C C 90 178.672 179.485 -0.813 1 1 900 . 3 1 1 A 90 90 LYS CA C 90 59.423 59.371 0.052 1 1 901 . 3 1 1 A 90 90 LYS CB C 90 31.820 32.339 -0.519 1 1 902 . 3 1 1 A 90 90 LYS N N 90 117.281 119.668 -2.387 1 1 903 . 3 1 1 A 91 91 LEU H H 91 6.857 8.145 -1.288 1 1 904 . 3 1 1 A 91 91 LEU HA H 91 4.212 3.999 0.213 1 1 911 . 3 1 1 A 91 91 LEU CA C 91 56.390 57.931 -1.541 1 1 912 . 3 1 1 A 91 91 LEU CB C 91 40.627 41.140 -0.513 1 1 915 . 3 1 1 A 91 91 LEU N N 91 120.818 119.924 0.894 1 1 916 . 3 1 1 A 92 92 LYS H H 92 8.156 8.945 -0.789 1 1 917 . 3 1 1 A 92 92 LYS HA H 92 3.558 3.928 -0.370 1 1 925 . 3 1 1 A 92 92 LYS C C 92 177.480 178.827 -1.347 1 1 926 . 3 1 1 A 92 92 LYS CA C 92 60.613 59.808 0.805 1 1 927 . 3 1 1 A 92 92 LYS CB C 92 31.812 32.506 -0.694 1 1 931 . 3 1 1 A 92 92 LYS N N 92 120.663 120.070 0.593 1 1 932 . 3 1 1 A 93 93 LYS H H 93 8.156 8.953 -0.797 1 1 933 . 3 1 1 A 93 93 LYS HA H 93 4.032 3.957 0.075 1 1 936 . 3 1 1 A 93 93 LYS C C 93 178.757 178.886 -0.129 1 1 937 . 3 1 1 A 93 93 LYS CA C 93 58.546 59.539 -0.993 1 1 938 . 3 1 1 A 93 93 LYS CB C 93 31.726 32.429 -0.703 1 1 939 . 3 1 1 A 93 93 LYS N N 93 116.478 119.132 -2.654 1 1 940 . 3 1 1 A 94 94 ARG H H 94 7.287 8.598 -1.311 1 1 941 . 3 1 1 A 94 94 ARG HA H 94 4.032 4.095 -0.063 1 1 948 . 3 1 1 A 94 94 ARG C C 94 177.872 178.870 -0.998 1 1 949 . 3 1 1 A 94 94 ARG CA C 94 58.639 59.220 -0.581 1 1 950 . 3 1 1 A 94 94 ARG CB C 94 29.490 30.027 -0.537 1 1 953 . 3 1 1 A 94 94 ARG N N 94 120.980 118.930 2.050 1 1 955 . 3 1 1 A 95 95 LEU H H 95 8.365 9.353 -0.988 1 1 956 . 3 1 1 A 95 95 LEU HA H 95 3.597 4.025 -0.428 1 1 960 . 3 1 1 A 95 95 LEU C C 95 177.342 179.603 -2.261 1 1 961 . 3 1 1 A 95 95 LEU CA C 95 57.009 57.974 -0.965 1 1 962 . 3 1 1 A 95 95 LEU CB C 95 40.718 40.814 -0.096 1 1 964 . 3 1 1 A 95 95 LEU N N 95 119.611 119.854 -0.243 1 1 965 . 3 1 1 A 96 96 GLN H H 96 8.126 9.347 -1.221 1 1 966 . 3 1 1 A 96 96 GLN HA H 96 4.033 4.067 -0.034 1 1 972 . 3 1 1 A 96 96 GLN C C 96 179.502 178.293 1.209 1 1 973 . 3 1 1 A 96 96 GLN CA C 96 58.743 58.984 -0.241 1 1 974 . 3 1 1 A 96 96 GLN CB C 96 27.315 28.416 -1.101 1 1 976 . 3 1 1 A 96 96 GLN N N 96 115.986 119.721 -3.735 1 1 978 . 3 1 1 A 97 97 LEU H H 97 7.574 9.170 -1.596 1 1 979 . 3 1 1 A 97 97 LEU HA H 97 4.176 4.129 0.047 1 1 983 . 3 1 1 A 97 97 LEU CA C 97 57.816 57.745 0.071 1 1 984 . 3 1 1 A 97 97 LEU CB C 97 41.107 42.044 -0.937 1 1 985 . 3 1 1 A 97 97 LEU N N 97 121.721 121.026 0.695 1 1 986 . 3 1 1 A 98 98 GLU H H 98 8.180 9.182 -1.002 1 1 987 . 3 1 1 A 98 98 GLU HA H 98 3.970 3.964 0.006 1 1 989 . 3 1 1 A 98 98 GLU C C 98 178.852 178.988 -0.136 1 1 990 . 3 1 1 A 98 98 GLU CA C 98 59.074 59.528 -0.454 1 1 991 . 3 1 1 A 98 98 GLU CB C 98 28.376 29.253 -0.877 1 1 992 . 3 1 1 A 98 98 GLU N N 98 122.418 119.452 2.966 1 1 993 . 3 1 1 A 99 99 PHE H H 99 8.995 9.233 -0.238 1 1 994 . 3 1 1 A 99 99 PHE HA H 99 4.560 4.091 0.469 1 1 997 . 3 1 1 A 99 99 PHE C C 99 178.050 178.023 0.027 1 1 998 . 3 1 1 A 99 99 PHE CA C 99 57.595 61.329 -3.734 1 1 999 . 3 1 1 A 99 99 PHE CB C 99 36.788 39.208 -2.420 1 1 1000 . 3 1 1 A 99 99 PHE N N 99 118.943 120.540 -1.597 1 1 1001 . 3 1 1 A 100 100 THR H H 100 7.985 9.464 -1.479 1 1 1002 . 3 1 1 A 100 100 THR HA H 100 4.097 4.138 -0.041 1 1 1007 . 3 1 1 A 100 100 THR CA C 100 66.567 65.540 1.027 1 1 1008 . 3 1 1 A 100 100 THR CB C 100 68.200 68.597 -0.397 1 1 1010 . 3 1 1 A 100 100 THR N N 100 117.633 113.830 3.803 1 1 1011 . 3 1 1 A 101 101 GLN H H 101 8.160 8.950 -0.790 1 1 1012 . 3 1 1 A 101 101 GLN HA H 101 4.017 4.087 -0.070 1 1 1018 . 3 1 1 A 101 101 GLN C C 101 179.034 177.654 1.380 1 1 1019 . 3 1 1 A 101 101 GLN CA C 101 58.649 58.546 0.103 1 1 1020 . 3 1 1 A 101 101 GLN CB C 101 27.541 28.191 -0.650 1 1 1022 . 3 1 1 A 101 101 GLN N N 101 122.138 119.765 2.373 1 1 1024 . 3 1 1 A 102 102 ALA H H 102 8.768 8.822 -0.054 1 1 1025 . 3 1 1 A 102 102 ALA HA H 102 4.036 4.172 -0.136 1 1 1029 . 3 1 1 A 102 102 ALA C C 102 178.466 178.779 -0.313 1 1 1030 . 3 1 1 A 102 102 ALA CA C 102 55.525 54.883 0.642 1 1 1031 . 3 1 1 A 102 102 ALA CB C 102 18.046 19.122 -1.076 1 1 1032 . 3 1 1 A 102 102 ALA N N 102 124.541 122.967 1.574 1 1 1033 . 3 1 1 A 103 103 GLU H H 103 8.552 9.287 -0.735 1 1 1034 . 3 1 1 A 103 103 GLU HA H 103 3.680 3.788 -0.108 1 1 1039 . 3 1 1 A 103 103 GLU C C 103 178.447 178.521 -0.074 1 1 1040 . 3 1 1 A 103 103 GLU CA C 103 59.802 59.122 0.680 1 1 1041 . 3 1 1 A 103 103 GLU CB C 103 29.672 28.687 0.985 1 1 1043 . 3 1 1 A 103 103 GLU N N 103 120.048 118.727 1.321 1 1 1044 . 3 1 1 A 104 104 ARG H H 104 8.242 8.226 0.016 1 1 1045 . 3 1 1 A 104 104 ARG HA H 104 4.214 4.052 0.162 1 1 1048 . 3 1 1 A 104 104 ARG C C 104 178.958 178.421 0.537 1 1 1049 . 3 1 1 A 104 104 ARG CA C 104 58.135 59.273 -1.138 1 1 1050 . 3 1 1 A 104 104 ARG CB C 104 29.742 30.013 -0.271 1 1 1051 . 3 1 1 A 104 104 ARG N N 104 119.448 120.244 -0.796 1 1 1052 . 3 1 1 A 105 105 SER H H 105 8.087 8.018 0.069 1 1 1053 . 3 1 1 A 105 105 SER HA H 105 4.290 4.349 -0.059 1 1 1056 . 3 1 1 A 105 105 SER CA C 105 61.917 61.162 0.755 1 1 1057 . 3 1 1 A 105 105 SER N N 105 117.329 114.539 2.790 1 1 1058 . 3 1 1 A 106 106 ILE H H 106 8.403 7.763 0.640 1 1 1059 . 3 1 1 A 106 106 ILE HA H 106 4.113 3.537 0.576 1 1 1069 . 3 1 1 A 106 106 ILE CA C 106 61.487 65.144 -3.657 1 1 1070 . 3 1 1 A 106 106 ILE CB C 106 35.600 37.503 -1.903 1 1 1074 . 3 1 1 A 106 106 ILE N N 106 124.394 122.067 2.327 1 1 1075 . 3 1 1 A 107 107 GLU H H 107 8.187 8.007 0.180 1 1 1076 . 3 1 1 A 107 107 GLU HA H 107 4.126 3.966 0.160 1 1 1079 . 3 1 1 A 107 107 GLU C C 107 177.494 177.694 -0.200 1 1 1080 . 3 1 1 A 107 107 GLU CA C 107 58.849 59.004 -0.155 1 1 1081 . 3 1 1 A 107 107 GLU CB C 107 29.052 29.590 -0.538 1 1 1082 . 3 1 1 A 107 107 GLU N N 107 123.223 120.965 2.258 1 1 1083 . 3 1 1 A 108 108 ARG H H 108 7.651 8.049 -0.398 1 1 1084 . 3 1 1 A 108 108 ARG HA H 108 4.431 4.526 -0.095 1 1 1090 . 3 1 1 A 108 108 ARG C C 108 175.927 176.679 -0.752 1 1 1091 . 3 1 1 A 108 108 ARG CA C 108 55.584 56.708 -1.124 1 1 1092 . 3 1 1 A 108 108 ARG CB C 108 30.806 31.656 -0.850 1 1 1094 . 3 1 1 A 108 108 ARG N N 108 117.394 116.471 0.923 1 1 1095 . 3 1 1 A 109 109 GLY H H 109 8.190 7.021 1.169 1 1 1096 . 3 1 1 A 109 109 GLY HA2 H 109 4.141 4.130 0.011 1 1 1097 . 3 1 1 A 109 109 GLY HA3 H 109 4.060 4.132 -0.072 1 1 1098 . 3 1 1 A 109 109 GLY C C 109 174.031 174.269 -0.238 1 1 1099 . 3 1 1 A 109 109 GLY CA C 109 45.823 45.436 0.387 1 1 1100 . 3 1 1 A 109 109 GLY N N 109 110.712 104.130 6.582 1 1 7 . 4 1 1 A 2 2 ASP H H 2 8.644 7.817 0.827 1 1 8 . 4 1 1 A 2 2 ASP HA H 2 4.373 4.892 -0.519 1 1 11 . 4 1 1 A 2 2 ASP C C 2 178.938 176.447 2.491 1 1 12 . 4 1 1 A 2 2 ASP CA C 2 53.794 55.735 -1.941 1 1 13 . 4 1 1 A 2 2 ASP CB C 2 41.025 42.688 -1.663 1 1 14 . 4 1 1 A 2 2 ASP N N 2 122.106 120.642 1.464 1 1 15 . 4 1 1 A 3 3 SER H H 3 8.508 8.221 0.287 1 1 16 . 4 1 1 A 3 3 SER HA H 3 4.331 4.155 0.176 1 1 19 . 4 1 1 A 3 3 SER C C 3 174.777 174.356 0.421 1 1 20 . 4 1 1 A 3 3 SER CA C 3 58.141 59.024 -0.883 1 1 21 . 4 1 1 A 3 3 SER CB C 3 63.359 61.713 1.646 1 1 22 . 4 1 1 A 3 3 SER N N 3 117.604 113.202 4.402 1 1 23 . 4 1 1 A 4 4 GLY H H 4 8.603 8.838 -0.235 1 1 24 . 4 1 1 A 4 4 GLY HA2 H 4 4.130 4.086 0.044 1 1 25 . 4 1 1 A 4 4 GLY HA3 H 4 4.076 4.087 -0.011 1 1 26 . 4 1 1 A 4 4 GLY C C 4 174.283 173.133 1.150 1 1 27 . 4 1 1 A 4 4 GLY CA C 4 45.054 46.164 -1.110 1 1 28 . 4 1 1 A 4 4 GLY N N 4 111.842 114.737 -2.895 1 1 29 . 4 1 1 A 5 5 THR H H 5 8.140 7.832 0.308 1 1 30 . 4 1 1 A 5 5 THR HA H 5 4.371 4.818 -0.447 1 1 35 . 4 1 1 A 5 5 THR C C 5 174.827 174.074 0.753 1 1 36 . 4 1 1 A 5 5 THR CA C 5 61.515 60.737 0.778 1 1 37 . 4 1 1 A 5 5 THR CB C 5 69.683 72.107 -2.424 1 1 39 . 4 1 1 A 5 5 THR N N 5 112.188 113.049 -0.861 1 1 40 . 4 1 1 A 6 6 GLY H H 6 8.425 8.572 -0.147 1 1 41 . 4 1 1 A 6 6 GLY HA2 H 6 4.109 4.051 0.058 1 1 42 . 4 1 1 A 6 6 GLY HA3 H 6 3.875 4.085 -0.210 1 1 43 . 4 1 1 A 6 6 GLY C C 6 173.670 174.698 -1.028 1 1 44 . 4 1 1 A 6 6 GLY CA C 6 44.466 46.211 -1.745 1 1 45 . 4 1 1 A 6 6 GLY N N 6 110.955 112.436 -1.481 1 1 46 . 4 1 1 A 7 7 LEU H H 7 7.993 7.860 0.133 1 1 47 . 4 1 1 A 7 7 LEU HA H 7 4.503 4.101 0.402 1 1 53 . 4 1 1 A 7 7 LEU C C 7 177.284 176.030 1.254 1 1 54 . 4 1 1 A 7 7 LEU CA C 7 54.741 57.229 -2.488 1 1 55 . 4 1 1 A 7 7 LEU CB C 7 39.284 41.066 -1.782 1 1 58 . 4 1 1 A 7 7 LEU N N 7 121.268 118.329 2.939 1 1 59 . 4 1 1 A 8 8 THR H H 8 10.385 8.186 2.199 1 1 60 . 4 1 1 A 8 8 THR HA H 8 4.521 3.215 1.306 1 1 65 . 4 1 1 A 8 8 THR C C 8 176.965 173.960 3.005 1 1 66 . 4 1 1 A 8 8 THR CA C 8 64.563 60.799 3.764 1 1 67 . 4 1 1 A 8 8 THR CB C 8 71.946 69.971 1.975 1 1 69 . 4 1 1 A 8 8 THR N N 8 113.472 114.478 -1.006 1 1 70 . 4 1 1 A 9 9 GLY H H 9 9.733 7.591 2.142 1 1 71 . 4 1 1 A 9 9 GLY HA2 H 9 4.391 3.936 0.455 1 1 72 . 4 1 1 A 9 9 GLY HA3 H 9 3.805 3.942 -0.137 1 1 73 . 4 1 1 A 9 9 GLY C C 9 173.133 174.880 -1.747 1 1 74 . 4 1 1 A 9 9 GLY CA C 9 45.453 47.087 -1.634 1 1 75 . 4 1 1 A 9 9 GLY N N 9 114.948 110.745 4.203 1 1 76 . 4 1 1 A 10 10 ASN H H 10 7.664 8.153 -0.489 1 1 77 . 4 1 1 A 10 10 ASN HA H 10 4.906 4.506 0.400 1 1 82 . 4 1 1 A 10 10 ASN C C 10 173.098 174.878 -1.780 1 1 83 . 4 1 1 A 10 10 ASN CA C 10 51.504 55.577 -4.073 1 1 84 . 4 1 1 A 10 10 ASN CB C 10 38.449 38.492 -0.043 1 1 85 . 4 1 1 A 10 10 ASN N N 10 120.991 115.878 5.113 1 1 87 . 4 1 1 A 11 11 TYR H H 11 8.892 7.572 1.320 1 1 88 . 4 1 1 A 11 11 TYR HA H 11 3.767 4.677 -0.910 1 1 91 . 4 1 1 A 11 11 TYR C C 11 177.871 175.566 2.305 1 1 92 . 4 1 1 A 11 11 TYR CA C 11 61.897 57.235 4.662 1 1 93 . 4 1 1 A 11 11 TYR CB C 11 38.099 39.973 -1.874 1 1 94 . 4 1 1 A 11 11 TYR N N 11 128.653 115.623 13.030 1 1 95 . 4 1 1 A 12 12 SER H H 12 8.729 8.867 -0.138 1 1 96 . 4 1 1 A 12 12 SER HA H 12 3.747 4.287 -0.540 1 1 99 . 4 1 1 A 12 12 SER C C 12 174.675 176.702 -2.027 1 1 100 . 4 1 1 A 12 12 SER CA C 12 62.371 61.534 0.837 1 1 101 . 4 1 1 A 12 12 SER CB C 12 61.600 62.645 -1.045 1 1 102 . 4 1 1 A 12 12 SER N N 12 119.446 116.711 2.735 1 1 103 . 4 1 1 A 13 13 GLN H H 13 7.645 8.449 -0.804 1 1 104 . 4 1 1 A 13 13 GLN HA H 13 3.955 4.072 -0.117 1 1 110 . 4 1 1 A 13 13 GLN C C 13 178.400 177.517 0.883 1 1 111 . 4 1 1 A 13 13 GLN CA C 13 58.083 58.482 -0.399 1 1 112 . 4 1 1 A 13 13 GLN CB C 13 28.328 28.857 -0.529 1 1 114 . 4 1 1 A 13 13 GLN N N 13 121.234 119.467 1.767 1 1 116 . 4 1 1 A 14 14 ASP H H 14 9.314 7.767 1.547 1 1 117 . 4 1 1 A 14 14 ASP HA H 14 4.513 4.509 0.004 1 1 120 . 4 1 1 A 14 14 ASP C C 14 177.320 178.637 -1.317 1 1 121 . 4 1 1 A 14 14 ASP CA C 14 56.778 56.752 0.026 1 1 122 . 4 1 1 A 14 14 ASP CB C 14 40.380 41.157 -0.777 1 1 123 . 4 1 1 A 14 14 ASP N N 14 120.095 120.529 -0.434 1 1 124 . 4 1 1 A 15 15 THR H H 15 8.283 7.979 0.304 1 1 125 . 4 1 1 A 15 15 THR HA H 15 3.637 3.830 -0.193 1 1 130 . 4 1 1 A 15 15 THR C C 15 174.455 176.860 -2.405 1 1 131 . 4 1 1 A 15 15 THR CA C 15 67.657 67.061 0.596 1 1 132 . 4 1 1 A 15 15 THR CB C 15 67.465 68.067 -0.602 1 1 134 . 4 1 1 A 15 15 THR N N 15 117.657 118.396 -0.739 1 1 135 . 4 1 1 A 16 16 LEU H H 16 7.452 8.084 -0.632 1 1 136 . 4 1 1 A 16 16 LEU HA H 16 3.919 3.981 -0.062 1 1 140 . 4 1 1 A 16 16 LEU C C 16 179.666 178.917 0.749 1 1 141 . 4 1 1 A 16 16 LEU CA C 16 57.864 57.980 -0.116 1 1 142 . 4 1 1 A 16 16 LEU CB C 16 39.811 40.980 -1.169 1 1 144 . 4 1 1 A 16 16 LEU N N 16 120.034 118.158 1.876 1 1 145 . 4 1 1 A 17 17 THR H H 17 8.708 7.949 0.759 1 1 146 . 4 1 1 A 17 17 THR HA H 17 3.893 3.941 -0.048 1 1 151 . 4 1 1 A 17 17 THR C C 17 179.666 176.387 3.279 1 1 152 . 4 1 1 A 17 17 THR CA C 17 66.152 66.862 -0.710 1 1 153 . 4 1 1 A 17 17 THR CB C 17 67.921 68.781 -0.860 1 1 155 . 4 1 1 A 17 17 THR N N 17 121.382 115.354 6.028 1 1 156 . 4 1 1 A 18 18 VAL H H 18 8.194 7.737 0.457 1 1 157 . 4 1 1 A 18 18 VAL HA H 18 3.705 3.811 -0.106 1 1 165 . 4 1 1 A 18 18 VAL C C 18 177.242 177.719 -0.477 1 1 166 . 4 1 1 A 18 18 VAL CA C 18 65.886 65.025 0.861 1 1 167 . 4 1 1 A 18 18 VAL CB C 18 30.729 31.208 -0.479 1 1 170 . 4 1 1 A 18 18 VAL N N 18 123.227 120.163 3.064 1 1 171 . 4 1 1 A 19 19 ILE H H 19 7.933 8.256 -0.323 1 1 172 . 4 1 1 A 19 19 ILE HA H 19 2.633 3.676 -1.043 1 1 182 . 4 1 1 A 19 19 ILE C C 19 176.276 178.127 -1.851 1 1 183 . 4 1 1 A 19 19 ILE CA C 19 66.137 65.117 1.020 1 1 184 . 4 1 1 A 19 19 ILE CB C 19 37.782 37.023 0.759 1 1 188 . 4 1 1 A 19 19 ILE N N 19 119.786 121.746 -1.960 1 1 189 . 4 1 1 A 20 20 ALA H H 20 7.782 8.737 -0.955 1 1 190 . 4 1 1 A 20 20 ALA HA H 20 3.972 4.128 -0.156 1 1 194 . 4 1 1 A 20 20 ALA C C 20 180.867 180.470 0.397 1 1 195 . 4 1 1 A 20 20 ALA CA C 20 55.170 55.034 0.136 1 1 196 . 4 1 1 A 20 20 ALA CB C 20 17.282 18.239 -0.957 1 1 197 . 4 1 1 A 20 20 ALA N N 20 121.793 123.326 -1.533 1 1 198 . 4 1 1 A 21 21 THR H H 21 8.573 7.489 1.084 1 1 199 . 4 1 1 A 21 21 THR HA H 21 3.902 4.019 -0.117 1 1 204 . 4 1 1 A 21 21 THR C C 21 176.720 177.101 -0.381 1 1 205 . 4 1 1 A 21 21 THR CA C 21 65.200 66.195 -0.995 1 1 206 . 4 1 1 A 21 21 THR CB C 21 68.092 68.320 -0.228 1 1 208 . 4 1 1 A 21 21 THR N N 21 118.393 114.385 4.008 1 1 209 . 4 1 1 A 22 22 LEU H H 22 8.583 8.232 0.351 1 1 210 . 4 1 1 A 22 22 LEU HA H 22 4.065 3.964 0.101 1 1 217 . 4 1 1 A 22 22 LEU C C 22 178.284 179.063 -0.779 1 1 218 . 4 1 1 A 22 22 LEU CA C 22 57.005 57.753 -0.748 1 1 219 . 4 1 1 A 22 22 LEU CB C 22 40.209 41.898 -1.689 1 1 223 . 4 1 1 A 22 22 LEU N N 22 122.517 122.283 0.234 1 1 224 . 4 1 1 A 23 23 ARG H H 23 8.858 8.406 0.452 1 1 225 . 4 1 1 A 23 23 ARG HA H 23 3.873 4.002 -0.129 1 1 230 . 4 1 1 A 23 23 ARG C C 23 178.503 179.223 -0.720 1 1 231 . 4 1 1 A 23 23 ARG CA C 23 60.362 59.775 0.587 1 1 232 . 4 1 1 A 23 23 ARG CB C 23 29.808 30.068 -0.260 1 1 235 . 4 1 1 A 23 23 ARG N N 23 120.502 117.979 2.523 1 1 237 . 4 1 1 A 24 24 GLU H H 24 7.250 7.673 -0.423 1 1 238 . 4 1 1 A 24 24 GLU HA H 24 4.109 4.071 0.038 1 1 243 . 4 1 1 A 24 24 GLU CA C 24 58.312 58.903 -0.591 1 1 244 . 4 1 1 A 24 24 GLU CB C 24 29.024 30.099 -1.075 1 1 246 . 4 1 1 A 24 24 GLU N N 24 117.221 120.103 -2.882 1 1 247 . 4 1 1 A 25 25 ALA H H 25 8.223 8.492 -0.269 1 1 248 . 4 1 1 A 25 25 ALA HA H 25 3.983 4.109 -0.126 1 1 252 . 4 1 1 A 25 25 ALA C C 25 180.617 179.403 1.214 1 1 253 . 4 1 1 A 25 25 ALA CA C 25 55.203 55.030 0.173 1 1 254 . 4 1 1 A 25 25 ALA CB C 25 17.657 18.585 -0.928 1 1 255 . 4 1 1 A 25 25 ALA N N 25 121.823 121.947 -0.124 1 1 256 . 4 1 1 A 26 26 ILE H H 26 8.552 7.601 0.951 1 1 257 . 4 1 1 A 26 26 ILE HA H 26 4.144 3.847 0.297 1 1 267 . 4 1 1 A 26 26 ILE C C 26 175.586 176.291 -0.705 1 1 268 . 4 1 1 A 26 26 ILE CA C 26 63.790 63.017 0.773 1 1 269 . 4 1 1 A 26 26 ILE CB C 26 37.496 37.528 -0.032 1 1 273 . 4 1 1 A 26 26 ILE N N 26 112.838 118.624 -5.786 1 1 274 . 4 1 1 A 27 27 ASP H H 27 7.175 7.892 -0.717 1 1 275 . 4 1 1 A 27 27 ASP HA H 27 4.934 4.815 0.119 1 1 278 . 4 1 1 A 27 27 ASP C C 27 175.602 174.931 0.671 1 1 279 . 4 1 1 A 27 27 ASP CA C 27 53.160 53.077 0.083 1 1 280 . 4 1 1 A 27 27 ASP CB C 27 41.754 41.467 0.287 1 1 281 . 4 1 1 A 27 27 ASP N N 27 120.840 120.029 0.811 1 1 282 . 4 1 1 A 28 28 LEU H H 28 7.136 7.449 -0.313 1 1 283 . 4 1 1 A 28 28 LEU HA H 28 4.510 4.427 0.083 1 1 290 . 4 1 1 A 28 28 LEU CA C 28 53.379 53.624 -0.245 1 1 291 . 4 1 1 A 28 28 LEU CB C 28 42.286 41.467 0.819 1 1 294 . 4 1 1 A 28 28 LEU N N 28 124.155 121.922 2.233 1 1 295 . 4 1 1 A 29 29 PRO HA H 29 4.552 4.498 0.054 1 1 301 . 4 1 1 A 29 29 PRO C C 29 177.414 177.267 0.147 1 1 302 . 4 1 1 A 29 29 PRO CA C 29 62.506 62.727 -0.221 1 1 303 . 4 1 1 A 29 29 PRO CB C 29 32.263 32.514 -0.251 1 1 305 . 4 1 1 A 30 30 GLN H H 30 8.935 8.551 0.384 1 1 306 . 4 1 1 A 30 30 GLN HA H 30 3.966 4.090 -0.124 1 1 311 . 4 1 1 A 30 30 GLN C C 30 175.595 176.703 -1.108 1 1 312 . 4 1 1 A 30 30 GLN CA C 30 58.036 58.322 -0.286 1 1 313 . 4 1 1 A 30 30 GLN CB C 30 28.116 28.438 -0.322 1 1 315 . 4 1 1 A 30 30 GLN N N 30 122.119 121.319 0.800 1 1 317 . 4 1 1 A 31 31 ASP H H 31 8.353 8.161 0.192 1 1 318 . 4 1 1 A 31 31 ASP HA H 31 4.682 4.632 0.050 1 1 321 . 4 1 1 A 31 31 ASP C C 31 175.518 176.328 -0.810 1 1 322 . 4 1 1 A 31 31 ASP CA C 31 52.178 55.468 -3.290 1 1 323 . 4 1 1 A 31 31 ASP CB C 31 39.270 40.885 -1.615 1 1 324 . 4 1 1 A 31 31 ASP N N 31 115.909 119.400 -3.491 1 1 325 . 4 1 1 A 32 32 ALA H H 32 7.467 8.333 -0.866 1 1 326 . 4 1 1 A 32 32 ALA HA H 32 4.564 4.800 -0.236 1 1 330 . 4 1 1 A 32 32 ALA CA C 32 50.496 49.761 0.735 1 1 331 . 4 1 1 A 32 32 ALA CB C 32 17.852 19.044 -1.192 1 1 332 . 4 1 1 A 32 32 ALA N N 32 124.893 121.723 3.170 1 1 333 . 4 1 1 A 33 33 PRO HA H 33 4.494 4.482 0.012 1 1 339 . 4 1 1 A 33 33 PRO C C 33 176.278 176.046 0.232 1 1 340 . 4 1 1 A 33 33 PRO CA C 33 63.894 63.594 0.300 1 1 341 . 4 1 1 A 33 33 PRO CB C 33 31.354 31.103 0.251 1 1 344 . 4 1 1 A 34 34 ASN H H 34 8.577 9.066 -0.489 1 1 345 . 4 1 1 A 34 34 ASN HA H 34 5.041 5.247 -0.206 1 1 350 . 4 1 1 A 34 34 ASN C C 34 174.678 175.383 -0.705 1 1 351 . 4 1 1 A 34 34 ASN CA C 34 51.792 52.660 -0.868 1 1 352 . 4 1 1 A 34 34 ASN CB C 34 36.334 39.375 -3.041 1 1 353 . 4 1 1 A 34 34 ASN N N 34 115.598 117.029 -1.431 1 1 355 . 4 1 1 A 35 35 ARG H H 35 7.401 8.221 -0.820 1 1 356 . 4 1 1 A 35 35 ARG HA H 35 3.726 4.048 -0.322 1 1 363 . 4 1 1 A 35 35 ARG C C 35 176.887 178.274 -1.387 1 1 364 . 4 1 1 A 35 35 ARG CA C 35 60.063 59.139 0.924 1 1 365 . 4 1 1 A 35 35 ARG CB C 35 29.571 29.885 -0.314 1 1 368 . 4 1 1 A 35 35 ARG N N 35 119.690 119.409 0.281 1 1 370 . 4 1 1 A 36 36 GLN H H 36 8.780 8.105 0.675 1 1 371 . 4 1 1 A 36 36 GLN HA H 36 3.805 4.329 -0.524 1 1 377 . 4 1 1 A 36 36 GLN CA C 36 58.618 59.073 -0.455 1 1 378 . 4 1 1 A 36 36 GLN CB C 36 27.595 28.438 -0.843 1 1 380 . 4 1 1 A 36 36 GLN N N 36 119.100 119.775 -0.675 1 1 382 . 4 1 1 A 37 37 GLU H H 37 8.128 7.997 0.131 1 1 383 . 4 1 1 A 37 37 GLU HA H 37 4.137 4.257 -0.120 1 1 387 . 4 1 1 A 37 37 GLU C C 37 179.222 179.022 0.200 1 1 388 . 4 1 1 A 37 37 GLU CA C 37 59.336 58.974 0.362 1 1 389 . 4 1 1 A 37 37 GLU CB C 37 28.781 29.591 -0.810 1 1 391 . 4 1 1 A 37 37 GLU N N 37 120.485 119.605 0.880 1 1 392 . 4 1 1 A 38 38 VAL H H 38 8.127 8.851 -0.724 1 1 393 . 4 1 1 A 38 38 VAL HA H 38 3.708 3.655 0.053 1 1 401 . 4 1 1 A 38 38 VAL C C 38 178.246 178.151 0.095 1 1 402 . 4 1 1 A 38 38 VAL CA C 38 66.019 66.690 -0.671 1 1 403 . 4 1 1 A 38 38 VAL CB C 38 31.008 31.547 -0.539 1 1 406 . 4 1 1 A 38 38 VAL N N 38 121.937 119.897 2.040 1 1 407 . 4 1 1 A 39 39 GLN H H 39 8.324 7.878 0.446 1 1 408 . 4 1 1 A 39 39 GLN HA H 39 3.764 3.978 -0.214 1 1 415 . 4 1 1 A 39 39 GLN C C 39 177.642 177.780 -0.138 1 1 416 . 4 1 1 A 39 39 GLN CA C 39 59.019 58.893 0.126 1 1 417 . 4 1 1 A 39 39 GLN CB C 39 27.176 28.430 -1.254 1 1 419 . 4 1 1 A 39 39 GLN N N 39 120.203 120.114 0.089 1 1 421 . 4 1 1 A 40 40 ASP H H 40 8.699 8.437 0.262 1 1 422 . 4 1 1 A 40 40 ASP HA H 40 4.391 4.311 0.080 1 1 425 . 4 1 1 A 40 40 ASP C C 40 179.726 178.635 1.091 1 1 426 . 4 1 1 A 40 40 ASP CA C 40 57.267 57.404 -0.137 1 1 427 . 4 1 1 A 40 40 ASP CB C 40 39.458 41.643 -2.185 1 1 428 . 4 1 1 A 40 40 ASP N N 40 121.604 119.873 1.731 1 1 429 . 4 1 1 A 41 41 THR H H 41 8.449 7.851 0.598 1 1 430 . 4 1 1 A 41 41 THR HA H 41 3.981 3.949 0.032 1 1 435 . 4 1 1 A 41 41 THR CA C 41 66.254 65.617 0.637 1 1 436 . 4 1 1 A 41 41 THR CB C 41 67.937 68.370 -0.433 1 1 437 . 4 1 1 A 41 41 THR N N 41 121.386 116.240 5.146 1 1 438 . 4 1 1 A 42 42 ALA H H 42 8.552 7.912 0.640 1 1 439 . 4 1 1 A 42 42 ALA HA H 42 3.876 3.958 -0.082 1 1 443 . 4 1 1 A 42 42 ALA C C 42 178.300 180.307 -2.007 1 1 444 . 4 1 1 A 42 42 ALA CA C 42 55.244 55.196 0.048 1 1 445 . 4 1 1 A 42 42 ALA CB C 42 17.295 18.144 -0.849 1 1 446 . 4 1 1 A 42 42 ALA N N 42 126.245 123.585 2.660 1 1 447 . 4 1 1 A 43 43 ARG H H 43 8.553 7.736 0.817 1 1 448 . 4 1 1 A 43 43 ARG HA H 43 3.923 3.997 -0.074 1 1 451 . 4 1 1 A 43 43 ARG C C 43 178.522 178.781 -0.259 1 1 452 . 4 1 1 A 43 43 ARG CA C 43 59.680 59.540 0.140 1 1 453 . 4 1 1 A 43 43 ARG CB C 43 29.887 29.696 0.191 1 1 454 . 4 1 1 A 43 43 ARG N N 43 117.705 119.555 -1.850 1 1 455 . 4 1 1 A 44 44 GLY H H 44 8.049 8.032 0.017 1 1 456 . 4 1 1 A 44 44 GLY HA2 H 44 4.066 3.790 0.276 1 1 457 . 4 1 1 A 44 44 GLY HA3 H 44 3.972 3.794 0.178 1 1 458 . 4 1 1 A 44 44 GLY CA C 44 46.710 47.541 -0.831 1 1 459 . 4 1 1 A 44 44 GLY N N 44 106.443 106.864 -0.421 1 1 460 . 4 1 1 A 45 45 GLN H H 45 8.305 7.902 0.403 1 1 461 . 4 1 1 A 45 45 GLN HA H 45 4.204 4.240 -0.036 1 1 466 . 4 1 1 A 45 45 GLN C C 45 177.942 178.600 -0.658 1 1 467 . 4 1 1 A 45 45 GLN CA C 45 59.930 58.675 1.255 1 1 468 . 4 1 1 A 45 45 GLN CB C 45 28.520 28.494 0.026 1 1 470 . 4 1 1 A 45 45 GLN N N 45 123.780 121.300 2.480 1 1 472 . 4 1 1 A 46 46 ILE H H 46 8.673 7.747 0.926 1 1 473 . 4 1 1 A 46 46 ILE HA H 46 3.594 3.785 -0.191 1 1 483 . 4 1 1 A 46 46 ILE C C 46 176.649 178.193 -1.544 1 1 484 . 4 1 1 A 46 46 ILE CA C 46 66.299 65.527 0.772 1 1 485 . 4 1 1 A 46 46 ILE CB C 46 37.762 37.497 0.265 1 1 489 . 4 1 1 A 46 46 ILE N N 46 120.050 121.243 -1.193 1 1 490 . 4 1 1 A 47 47 ASN H H 47 7.866 8.821 -0.955 1 1 491 . 4 1 1 A 47 47 ASN HA H 47 4.525 4.415 0.110 1 1 495 . 4 1 1 A 47 47 ASN C C 47 176.649 177.316 -0.667 1 1 496 . 4 1 1 A 47 47 ASN CA C 47 55.703 56.540 -0.837 1 1 497 . 4 1 1 A 47 47 ASN CB C 47 37.925 37.769 0.156 1 1 498 . 4 1 1 A 47 47 ASN N N 47 116.444 119.036 -2.592 1 1 500 . 4 1 1 A 48 48 ASP H H 48 8.185 7.776 0.409 1 1 501 . 4 1 1 A 48 48 ASP HA H 48 4.460 4.407 0.053 1 1 504 . 4 1 1 A 48 48 ASP C C 48 176.285 178.000 -1.715 1 1 505 . 4 1 1 A 48 48 ASP CA C 48 56.635 57.180 -0.545 1 1 506 . 4 1 1 A 48 48 ASP CB C 48 41.593 41.095 0.498 1 1 507 . 4 1 1 A 48 48 ASP N N 48 121.725 119.786 1.939 1 1 508 . 4 1 1 A 49 49 TYR H H 49 8.756 9.082 -0.326 1 1 509 . 4 1 1 A 49 49 TYR HA H 49 3.892 4.477 -0.585 1 1 512 . 4 1 1 A 49 49 TYR C C 49 176.432 177.069 -0.637 1 1 513 . 4 1 1 A 49 49 TYR CA C 49 62.617 61.385 1.232 1 1 514 . 4 1 1 A 49 49 TYR CB C 49 39.188 38.559 0.629 1 1 515 . 4 1 1 A 49 49 TYR N N 49 121.005 120.703 0.302 1 1 516 . 4 1 1 A 50 50 ILE H H 50 8.481 9.225 -0.744 1 1 517 . 4 1 1 A 50 50 ILE HA H 50 3.901 3.952 -0.051 1 1 527 . 4 1 1 A 50 50 ILE C C 50 177.407 176.390 1.017 1 1 528 . 4 1 1 A 50 50 ILE CA C 50 63.893 63.821 0.072 1 1 529 . 4 1 1 A 50 50 ILE CB C 50 36.668 38.316 -1.648 1 1 533 . 4 1 1 A 50 50 ILE N N 50 117.237 119.826 -2.589 1 1 534 . 4 1 1 A 51 51 SER H H 51 7.870 8.439 -0.569 1 1 535 . 4 1 1 A 51 51 SER HA H 51 4.203 4.667 -0.464 1 1 538 . 4 1 1 A 51 51 SER C C 51 177.413 174.121 3.292 1 1 539 . 4 1 1 A 51 51 SER CA C 51 61.003 57.130 3.873 1 1 540 . 4 1 1 A 51 51 SER CB C 51 62.711 63.977 -1.266 1 1 541 . 4 1 1 A 51 51 SER N N 51 113.635 115.500 -1.865 1 1 542 . 4 1 1 A 52 52 ARG H H 52 8.386 7.714 0.672 1 1 543 . 4 1 1 A 52 52 ARG HA H 52 3.816 4.396 -0.580 1 1 551 . 4 1 1 A 52 52 ARG C C 52 178.788 174.782 4.006 1 1 552 . 4 1 1 A 52 52 ARG CA C 52 58.343 57.192 1.151 1 1 553 . 4 1 1 A 52 52 ARG CB C 52 30.053 32.557 -2.504 1 1 556 . 4 1 1 A 52 52 ARG N N 52 120.787 122.435 -1.648 1 1 558 . 4 1 1 A 53 53 TYR H H 53 7.428 8.811 -1.383 1 1 559 . 4 1 1 A 53 53 TYR HA H 53 4.667 4.890 -0.223 1 1 562 . 4 1 1 A 53 53 TYR C C 53 174.743 175.033 -0.290 1 1 563 . 4 1 1 A 53 53 TYR CA C 53 57.922 55.506 2.416 1 1 564 . 4 1 1 A 53 53 TYR CB C 53 38.030 38.115 -0.085 1 1 565 . 4 1 1 A 53 53 TYR N N 53 115.269 116.950 -1.681 1 1 566 . 4 1 1 A 54 54 ARG H H 54 7.775 7.791 -0.016 1 1 567 . 4 1 1 A 54 54 ARG HA H 54 4.249 3.308 0.941 1 1 570 . 4 1 1 A 54 54 ARG C C 54 177.121 175.864 1.257 1 1 571 . 4 1 1 A 54 54 ARG CA C 54 58.720 56.830 1.890 1 1 572 . 4 1 1 A 54 54 ARG CB C 54 29.345 29.873 -0.528 1 1 573 . 4 1 1 A 54 54 ARG N N 54 120.518 119.782 0.736 1 1 574 . 4 1 1 A 55 55 ARG H H 55 8.319 7.513 0.806 1 1 575 . 4 1 1 A 55 55 ARG HA H 55 4.249 4.064 0.185 1 1 577 . 4 1 1 A 55 55 ARG C C 55 177.395 175.622 1.773 1 1 578 . 4 1 1 A 55 55 ARG CA C 55 56.766 57.103 -0.337 1 1 579 . 4 1 1 A 55 55 ARG CB C 55 29.231 31.120 -1.889 1 1 580 . 4 1 1 A 55 55 ARG N N 55 119.094 121.808 -2.714 1 1 581 . 4 1 1 A 56 56 LYS H H 56 8.062 8.353 -0.291 1 1 582 . 4 1 1 A 56 56 LYS HA H 56 4.069 4.715 -0.646 1 1 588 . 4 1 1 A 56 56 LYS C C 56 177.177 176.869 0.308 1 1 589 . 4 1 1 A 56 56 LYS CA C 56 56.740 55.307 1.433 1 1 590 . 4 1 1 A 56 56 LYS CB C 56 31.291 32.950 -1.659 1 1 594 . 4 1 1 A 56 56 LYS N N 56 121.271 122.582 -1.311 1 1 595 . 4 1 1 A 57 57 GLY H H 57 8.138 8.744 -0.606 1 1 596 . 4 1 1 A 57 57 GLY HA2 H 57 4.055 3.562 0.493 1 1 597 . 4 1 1 A 57 57 GLY HA3 H 57 3.766 3.613 0.153 1 1 598 . 4 1 1 A 57 57 GLY C C 57 174.196 174.780 -0.584 1 1 599 . 4 1 1 A 57 57 GLY CA C 57 45.336 47.041 -1.705 1 1 600 . 4 1 1 A 57 57 GLY N N 57 108.747 107.571 1.176 1 1 601 . 4 1 1 A 58 58 ASP H H 58 7.937 8.234 -0.297 1 1 602 . 4 1 1 A 58 58 ASP HA H 58 4.571 4.326 0.245 1 1 604 . 4 1 1 A 58 58 ASP CA C 58 54.548 55.063 -0.515 1 1 605 . 4 1 1 A 58 58 ASP CB C 58 40.254 39.550 0.704 1 1 606 . 4 1 1 A 58 58 ASP N N 58 121.456 119.514 1.942 1 1 607 . 4 1 1 A 59 59 ALA H H 59 8.150 8.240 -0.090 1 1 608 . 4 1 1 A 59 59 ALA HA H 59 4.178 4.321 -0.143 1 1 612 . 4 1 1 A 59 59 ALA C C 59 177.927 177.922 0.005 1 1 613 . 4 1 1 A 59 59 ALA CA C 59 52.751 52.106 0.645 1 1 614 . 4 1 1 A 59 59 ALA CB C 59 18.062 19.460 -1.398 1 1 615 . 4 1 1 A 59 59 ALA N N 59 123.316 120.712 2.604 1 1 616 . 4 1 1 A 60 60 GLY H H 60 8.190 7.993 0.197 1 1 617 . 4 1 1 A 60 60 GLY HA2 H 60 3.954 4.031 -0.077 1 1 618 . 4 1 1 A 60 60 GLY HA3 H 60 3.962 4.034 -0.072 1 1 619 . 4 1 1 A 60 60 GLY C C 60 174.572 174.380 0.192 1 1 620 . 4 1 1 A 60 60 GLY CA C 60 45.301 45.898 -0.597 1 1 621 . 4 1 1 A 60 60 GLY N N 60 107.588 106.086 1.502 1 1 622 . 4 1 1 A 61 61 GLY H H 61 8.014 8.146 -0.132 1 1 623 . 4 1 1 A 61 61 GLY HA2 H 61 4.068 4.087 -0.019 1 1 624 . 4 1 1 A 61 61 GLY HA3 H 61 3.882 4.092 -0.210 1 1 625 . 4 1 1 A 61 61 GLY C C 61 173.560 174.448 -0.888 1 1 626 . 4 1 1 A 61 61 GLY CA C 61 44.784 45.384 -0.600 1 1 627 . 4 1 1 A 61 61 GLY N N 61 108.839 106.173 2.666 1 1 628 . 4 1 1 A 62 62 LEU H H 62 8.038 7.690 0.348 1 1 629 . 4 1 1 A 62 62 LEU HA H 62 4.528 4.196 0.332 1 1 636 . 4 1 1 A 62 62 LEU C C 62 177.058 176.716 0.342 1 1 637 . 4 1 1 A 62 62 LEU CA C 62 54.038 56.268 -2.230 1 1 638 . 4 1 1 A 62 62 LEU CB C 62 42.254 42.851 -0.597 1 1 641 . 4 1 1 A 62 62 LEU N N 62 122.191 122.693 -0.502 1 1 642 . 4 1 1 A 63 63 LYS H H 63 9.378 9.023 0.355 1 1 643 . 4 1 1 A 63 63 LYS HA H 63 4.223 4.527 -0.304 1 1 647 . 4 1 1 A 63 63 LYS C C 63 179.928 177.990 1.938 1 1 648 . 4 1 1 A 63 63 LYS CA C 63 58.665 57.230 1.435 1 1 649 . 4 1 1 A 63 63 LYS CB C 63 31.663 34.186 -2.523 1 1 651 . 4 1 1 A 63 63 LYS N N 63 129.582 130.104 -0.522 1 1 652 . 4 1 1 A 64 64 SER H H 64 10.250 8.478 1.772 1 1 653 . 4 1 1 A 64 64 SER HA H 64 4.169 4.387 -0.218 1 1 656 . 4 1 1 A 64 64 SER C C 64 175.569 176.805 -1.236 1 1 657 . 4 1 1 A 64 64 SER CA C 64 61.010 61.331 -0.321 1 1 658 . 4 1 1 A 64 64 SER N N 64 117.647 115.605 2.042 1 1 659 . 4 1 1 A 65 65 PHE H H 65 7.035 7.878 -0.843 1 1 660 . 4 1 1 A 65 65 PHE HA H 65 4.444 4.256 0.188 1 1 663 . 4 1 1 A 65 65 PHE C C 65 176.884 176.677 0.207 1 1 664 . 4 1 1 A 65 65 PHE CA C 65 61.911 61.531 0.380 1 1 665 . 4 1 1 A 65 65 PHE CB C 65 38.861 39.442 -0.581 1 1 666 . 4 1 1 A 65 65 PHE N N 65 123.056 123.837 -0.781 1 1 667 . 4 1 1 A 66 66 THR H H 66 8.475 7.817 0.658 1 1 668 . 4 1 1 A 66 66 THR HA H 66 3.932 3.039 0.893 1 1 673 . 4 1 1 A 66 66 THR C C 66 176.884 176.448 0.436 1 1 674 . 4 1 1 A 66 66 THR CA C 66 66.236 65.830 0.406 1 1 675 . 4 1 1 A 66 66 THR CB C 66 67.993 68.078 -0.085 1 1 677 . 4 1 1 A 66 66 THR N N 66 115.996 114.687 1.309 1 1 678 . 4 1 1 A 67 67 THR H H 67 8.100 7.393 0.707 1 1 679 . 4 1 1 A 67 67 THR HA H 67 3.979 4.189 -0.210 1 1 684 . 4 1 1 A 67 67 THR CA C 67 66.516 66.137 0.379 1 1 685 . 4 1 1 A 67 67 THR CB C 67 68.188 68.426 -0.238 1 1 687 . 4 1 1 A 67 67 THR N N 67 120.365 116.070 4.295 1 1 688 . 4 1 1 A 68 68 MET H H 68 8.134 7.765 0.369 1 1 689 . 4 1 1 A 68 68 MET HA H 68 4.429 3.982 0.447 1 1 697 . 4 1 1 A 68 68 MET C C 68 177.682 178.200 -0.518 1 1 698 . 4 1 1 A 68 68 MET CA C 68 56.239 59.087 -2.848 1 1 699 . 4 1 1 A 68 68 MET CB C 68 30.516 32.487 -1.971 1 1 702 . 4 1 1 A 68 68 MET N N 68 120.545 119.125 1.420 1 1 703 . 4 1 1 A 69 69 GLN H H 69 9.139 7.471 1.668 1 1 704 . 4 1 1 A 69 69 GLN HA H 69 3.694 4.085 -0.391 1 1 711 . 4 1 1 A 69 69 GLN C C 69 177.433 178.714 -1.281 1 1 712 . 4 1 1 A 69 69 GLN CA C 69 59.779 58.655 1.124 1 1 713 . 4 1 1 A 69 69 GLN CB C 69 28.547 28.142 0.405 1 1 715 . 4 1 1 A 69 69 GLN N N 69 120.358 119.607 0.751 1 1 717 . 4 1 1 A 70 70 THR H H 70 7.809 8.045 -0.236 1 1 718 . 4 1 1 A 70 70 THR HA H 70 3.979 3.871 0.108 1 1 723 . 4 1 1 A 70 70 THR C C 70 176.394 176.236 0.158 1 1 724 . 4 1 1 A 70 70 THR CA C 70 66.028 66.581 -0.553 1 1 725 . 4 1 1 A 70 70 THR CB C 70 68.198 68.776 -0.578 1 1 727 . 4 1 1 A 70 70 THR N N 70 116.198 115.667 0.531 1 1 728 . 4 1 1 A 71 71 ALA H H 71 7.859 8.615 -0.756 1 1 729 . 4 1 1 A 71 71 ALA HA H 71 3.994 4.084 -0.090 1 1 733 . 4 1 1 A 71 71 ALA CA C 71 54.902 55.062 -0.160 1 1 734 . 4 1 1 A 71 71 ALA CB C 71 17.926 18.060 -0.134 1 1 735 . 4 1 1 A 71 71 ALA N N 71 126.667 124.282 2.385 1 1 736 . 4 1 1 A 72 72 LEU H H 72 9.261 8.029 1.232 1 1 737 . 4 1 1 A 72 72 LEU HA H 72 3.915 4.146 -0.231 1 1 743 . 4 1 1 A 72 72 LEU C C 72 179.219 178.574 0.645 1 1 744 . 4 1 1 A 72 72 LEU CA C 72 58.406 57.958 0.448 1 1 745 . 4 1 1 A 72 72 LEU CB C 72 38.744 41.473 -2.729 1 1 747 . 4 1 1 A 72 72 LEU N N 72 119.657 120.528 -0.871 1 1 748 . 4 1 1 A 73 73 ASN H H 73 8.542 8.070 0.472 1 1 749 . 4 1 1 A 73 73 ASN HA H 73 4.606 4.489 0.117 1 1 754 . 4 1 1 A 73 73 ASN CA C 73 55.711 56.285 -0.574 1 1 755 . 4 1 1 A 73 73 ASN CB C 73 37.398 37.834 -0.436 1 1 756 . 4 1 1 A 73 73 ASN N N 73 118.851 117.125 1.726 1 1 758 . 4 1 1 A 74 74 SER H H 74 7.849 7.888 -0.039 1 1 759 . 4 1 1 A 74 74 SER HA H 74 4.379 4.210 0.169 1 1 762 . 4 1 1 A 74 74 SER C C 74 175.881 176.734 -0.853 1 1 763 . 4 1 1 A 74 74 SER CA C 74 61.405 61.514 -0.109 1 1 764 . 4 1 1 A 74 74 SER N N 74 118.042 115.113 2.929 1 1 765 . 4 1 1 A 75 75 LEU H H 75 8.084 9.024 -0.940 1 1 766 . 4 1 1 A 75 75 LEU HA H 75 4.181 4.065 0.116 1 1 773 . 4 1 1 A 75 75 LEU C C 75 176.899 179.006 -2.107 1 1 774 . 4 1 1 A 75 75 LEU CA C 75 56.746 57.940 -1.194 1 1 775 . 4 1 1 A 75 75 LEU CB C 75 41.896 41.402 0.494 1 1 777 . 4 1 1 A 75 75 LEU N N 75 124.099 118.811 5.288 1 1 778 . 4 1 1 A 76 76 ALA H H 76 8.695 8.095 0.600 1 1 779 . 4 1 1 A 76 76 ALA HA H 76 4.134 4.141 -0.007 1 1 783 . 4 1 1 A 76 76 ALA C C 76 180.159 180.149 0.010 1 1 784 . 4 1 1 A 76 76 ALA CA C 76 55.315 55.230 0.085 1 1 785 . 4 1 1 A 76 76 ALA CB C 76 17.624 18.479 -0.855 1 1 786 . 4 1 1 A 76 76 ALA N N 76 121.934 122.467 -0.533 1 1 787 . 4 1 1 A 77 77 GLY H H 77 8.198 8.215 -0.017 1 1 788 . 4 1 1 A 77 77 GLY HA2 H 77 3.917 3.770 0.147 1 1 789 . 4 1 1 A 77 77 GLY HA3 H 77 3.925 3.777 0.148 1 1 790 . 4 1 1 A 77 77 GLY C C 77 175.177 175.468 -0.291 1 1 791 . 4 1 1 A 77 77 GLY CA C 77 46.066 46.980 -0.914 1 1 792 . 4 1 1 A 77 77 GLY N N 77 105.613 105.462 0.151 1 1 793 . 4 1 1 A 78 78 TYR H H 78 7.973 7.758 0.215 1 1 794 . 4 1 1 A 78 78 TYR HA H 78 4.326 4.144 0.182 1 1 797 . 4 1 1 A 78 78 TYR C C 78 176.705 177.322 -0.617 1 1 798 . 4 1 1 A 78 78 TYR CA C 78 61.280 60.902 0.378 1 1 799 . 4 1 1 A 78 78 TYR CB C 78 37.737 38.782 -1.045 1 1 800 . 4 1 1 A 78 78 TYR N N 78 123.680 123.373 0.307 1 1 801 . 4 1 1 A 79 79 TYR H H 79 8.347 8.181 0.166 1 1 802 . 4 1 1 A 79 79 TYR HA H 79 4.750 4.113 0.637 1 1 805 . 4 1 1 A 79 79 TYR C C 79 178.135 177.684 0.451 1 1 806 . 4 1 1 A 79 79 TYR CA C 79 57.389 61.660 -4.271 1 1 807 . 4 1 1 A 79 79 TYR CB C 79 36.796 38.789 -1.993 1 1 808 . 4 1 1 A 79 79 TYR N N 79 119.870 120.262 -0.392 1 1 809 . 4 1 1 A 80 80 THR H H 80 8.180 8.000 0.180 1 1 810 . 4 1 1 A 80 80 THR HA H 80 4.208 4.127 0.081 1 1 815 . 4 1 1 A 80 80 THR C C 80 175.302 174.460 0.842 1 1 816 . 4 1 1 A 80 80 THR CA C 80 64.276 64.429 -0.153 1 1 817 . 4 1 1 A 80 80 THR CB C 80 69.098 68.830 0.268 1 1 819 . 4 1 1 A 80 80 THR N N 80 114.967 112.690 2.277 1 1 820 . 4 1 1 A 81 81 SER H H 81 8.027 7.404 0.623 1 1 821 . 4 1 1 A 81 81 SER HA H 81 4.214 4.401 -0.187 1 1 824 . 4 1 1 A 81 81 SER C C 81 174.305 173.056 1.249 1 1 825 . 4 1 1 A 81 81 SER CA C 81 60.578 57.335 3.243 1 1 826 . 4 1 1 A 81 81 SER CB C 81 63.385 63.807 -0.422 1 1 827 . 4 1 1 A 81 81 SER N N 81 116.664 117.334 -0.670 1 1 828 . 4 1 1 A 82 82 TYR H H 82 8.396 7.818 0.578 1 1 829 . 4 1 1 A 82 82 TYR HA H 82 4.612 4.594 0.018 1 1 832 . 4 1 1 A 82 82 TYR C C 82 176.069 175.584 0.485 1 1 833 . 4 1 1 A 82 82 TYR CA C 82 57.676 56.300 1.376 1 1 834 . 4 1 1 A 82 82 TYR CB C 82 38.160 36.062 2.098 1 1 835 . 4 1 1 A 82 82 TYR N N 82 119.325 126.954 -7.629 1 1 836 . 4 1 1 A 83 83 GLY H H 83 7.982 8.767 -0.785 1 1 837 . 4 1 1 A 83 83 GLY HA2 H 83 4.021 3.961 0.060 1 1 838 . 4 1 1 A 83 83 GLY HA3 H 83 3.877 3.964 -0.087 1 1 839 . 4 1 1 A 83 83 GLY C C 83 178.820 174.063 4.757 1 1 840 . 4 1 1 A 83 83 GLY CA C 83 46.170 46.010 0.160 1 1 841 . 4 1 1 A 83 83 GLY N N 83 111.287 108.313 2.974 1 1 842 . 4 1 1 A 84 84 ALA H H 84 8.505 8.668 -0.163 1 1 843 . 4 1 1 A 84 84 ALA HA H 84 4.619 4.441 0.178 1 1 847 . 4 1 1 A 84 84 ALA C C 84 176.933 176.345 0.588 1 1 848 . 4 1 1 A 84 84 ALA CA C 84 51.514 51.747 -0.233 1 1 849 . 4 1 1 A 84 84 ALA CB C 84 18.109 18.285 -0.176 1 1 850 . 4 1 1 A 84 84 ALA N N 84 126.408 127.786 -1.378 1 1 851 . 4 1 1 A 85 85 ARG H H 85 8.057 7.545 0.512 1 1 852 . 4 1 1 A 85 85 ARG HA H 85 4.696 4.876 -0.180 1 1 854 . 4 1 1 A 85 85 ARG CA C 85 53.887 52.968 0.919 1 1 855 . 4 1 1 A 85 85 ARG CB C 85 30.500 31.565 -1.065 1 1 856 . 4 1 1 A 85 85 ARG N N 85 123.060 116.788 6.272 1 1 857 . 4 1 1 A 86 86 PRO HA H 86 4.426 4.441 -0.015 1 1 862 . 4 1 1 A 86 86 PRO CA C 86 62.541 63.194 -0.653 1 1 863 . 4 1 1 A 86 86 PRO CB C 86 31.477 32.046 -0.569 1 1 864 . 4 1 1 A 87 87 ILE H H 87 8.449 8.253 0.196 1 1 865 . 4 1 1 A 87 87 ILE HA H 87 3.821 4.040 -0.219 1 1 875 . 4 1 1 A 87 87 ILE CA C 87 58.300 60.218 -1.918 1 1 876 . 4 1 1 A 87 87 ILE CB C 87 37.630 37.981 -0.351 1 1 880 . 4 1 1 A 87 87 ILE N N 87 125.558 123.879 1.679 1 1 881 . 4 1 1 A 88 88 PRO HA H 88 4.425 4.515 -0.090 1 1 884 . 4 1 1 A 88 88 PRO C C 88 177.001 177.771 -0.770 1 1 885 . 4 1 1 A 88 88 PRO CA C 88 62.298 62.842 -0.544 1 1 886 . 4 1 1 A 88 88 PRO CB C 88 32.070 32.761 -0.691 1 1 887 . 4 1 1 A 89 89 GLU H H 89 8.861 9.018 -0.157 1 1 888 . 4 1 1 A 89 89 GLU HA H 89 3.871 3.926 -0.055 1 1 891 . 4 1 1 A 89 89 GLU C C 89 177.756 178.273 -0.517 1 1 892 . 4 1 1 A 89 89 GLU CA C 89 59.711 59.580 0.131 1 1 893 . 4 1 1 A 89 89 GLU CB C 89 29.119 29.380 -0.261 1 1 894 . 4 1 1 A 89 89 GLU N N 89 125.518 123.662 1.856 1 1 895 . 4 1 1 A 90 90 LYS H H 90 8.827 7.762 1.065 1 1 896 . 4 1 1 A 90 90 LYS HA H 90 3.969 4.076 -0.107 1 1 899 . 4 1 1 A 90 90 LYS C C 90 178.672 179.430 -0.758 1 1 900 . 4 1 1 A 90 90 LYS CA C 90 59.423 59.403 0.020 1 1 901 . 4 1 1 A 90 90 LYS CB C 90 31.820 32.297 -0.477 1 1 902 . 4 1 1 A 90 90 LYS N N 90 117.281 119.915 -2.634 1 1 903 . 4 1 1 A 91 91 LEU H H 91 6.857 8.294 -1.437 1 1 904 . 4 1 1 A 91 91 LEU HA H 91 4.212 3.905 0.307 1 1 911 . 4 1 1 A 91 91 LEU CA C 91 56.390 57.890 -1.500 1 1 912 . 4 1 1 A 91 91 LEU CB C 91 40.627 41.328 -0.701 1 1 915 . 4 1 1 A 91 91 LEU N N 91 120.818 119.803 1.015 1 1 916 . 4 1 1 A 92 92 LYS H H 92 8.156 8.852 -0.696 1 1 917 . 4 1 1 A 92 92 LYS HA H 92 3.558 3.982 -0.424 1 1 925 . 4 1 1 A 92 92 LYS C C 92 177.480 178.694 -1.214 1 1 926 . 4 1 1 A 92 92 LYS CA C 92 60.613 59.704 0.909 1 1 927 . 4 1 1 A 92 92 LYS CB C 92 31.812 32.052 -0.240 1 1 931 . 4 1 1 A 92 92 LYS N N 92 120.663 120.596 0.067 1 1 932 . 4 1 1 A 93 93 LYS H H 93 8.156 8.887 -0.731 1 1 933 . 4 1 1 A 93 93 LYS HA H 93 4.032 3.966 0.066 1 1 936 . 4 1 1 A 93 93 LYS C C 93 178.757 178.948 -0.191 1 1 937 . 4 1 1 A 93 93 LYS CA C 93 58.546 59.361 -0.815 1 1 938 . 4 1 1 A 93 93 LYS CB C 93 31.726 32.105 -0.379 1 1 939 . 4 1 1 A 93 93 LYS N N 93 116.478 119.117 -2.639 1 1 940 . 4 1 1 A 94 94 ARG H H 94 7.287 8.343 -1.056 1 1 941 . 4 1 1 A 94 94 ARG HA H 94 4.032 4.073 -0.041 1 1 948 . 4 1 1 A 94 94 ARG C C 94 177.872 178.425 -0.553 1 1 949 . 4 1 1 A 94 94 ARG CA C 94 58.639 59.169 -0.530 1 1 950 . 4 1 1 A 94 94 ARG CB C 94 29.490 30.256 -0.766 1 1 953 . 4 1 1 A 94 94 ARG N N 94 120.980 119.078 1.902 1 1 955 . 4 1 1 A 95 95 LEU H H 95 8.365 9.322 -0.957 1 1 956 . 4 1 1 A 95 95 LEU HA H 95 3.597 4.026 -0.429 1 1 960 . 4 1 1 A 95 95 LEU C C 95 177.342 179.392 -2.050 1 1 961 . 4 1 1 A 95 95 LEU CA C 95 57.009 57.635 -0.626 1 1 962 . 4 1 1 A 95 95 LEU CB C 95 40.718 40.727 -0.009 1 1 964 . 4 1 1 A 95 95 LEU N N 95 119.611 119.756 -0.145 1 1 965 . 4 1 1 A 96 96 GLN H H 96 8.126 9.336 -1.210 1 1 966 . 4 1 1 A 96 96 GLN HA H 96 4.033 4.280 -0.247 1 1 972 . 4 1 1 A 96 96 GLN C C 96 179.502 178.155 1.347 1 1 973 . 4 1 1 A 96 96 GLN CA C 96 58.743 59.150 -0.407 1 1 974 . 4 1 1 A 96 96 GLN CB C 96 27.315 28.527 -1.212 1 1 976 . 4 1 1 A 96 96 GLN N N 96 115.986 120.075 -4.089 1 1 978 . 4 1 1 A 97 97 LEU H H 97 7.574 9.147 -1.573 1 1 979 . 4 1 1 A 97 97 LEU HA H 97 4.176 4.098 0.078 1 1 983 . 4 1 1 A 97 97 LEU CA C 97 57.816 57.624 0.192 1 1 984 . 4 1 1 A 97 97 LEU CB C 97 41.107 41.582 -0.475 1 1 985 . 4 1 1 A 97 97 LEU N N 97 121.721 121.268 0.453 1 1 986 . 4 1 1 A 98 98 GLU H H 98 8.180 8.967 -0.787 1 1 987 . 4 1 1 A 98 98 GLU HA H 98 3.970 3.932 0.038 1 1 989 . 4 1 1 A 98 98 GLU C C 98 178.852 178.937 -0.085 1 1 990 . 4 1 1 A 98 98 GLU CA C 98 59.074 59.553 -0.479 1 1 991 . 4 1 1 A 98 98 GLU CB C 98 28.376 29.317 -0.941 1 1 992 . 4 1 1 A 98 98 GLU N N 98 122.418 119.641 2.777 1 1 993 . 4 1 1 A 99 99 PHE H H 99 8.995 9.280 -0.285 1 1 994 . 4 1 1 A 99 99 PHE HA H 99 4.560 4.076 0.484 1 1 997 . 4 1 1 A 99 99 PHE C C 99 178.050 177.897 0.153 1 1 998 . 4 1 1 A 99 99 PHE CA C 99 57.595 61.335 -3.740 1 1 999 . 4 1 1 A 99 99 PHE CB C 99 36.788 39.191 -2.403 1 1 1000 . 4 1 1 A 99 99 PHE N N 99 118.943 120.630 -1.687 1 1 1001 . 4 1 1 A 100 100 THR H H 100 7.985 9.216 -1.231 1 1 1002 . 4 1 1 A 100 100 THR HA H 100 4.097 3.073 1.024 1 1 1007 . 4 1 1 A 100 100 THR CA C 100 66.567 64.805 1.762 1 1 1008 . 4 1 1 A 100 100 THR CB C 100 68.200 68.201 -0.001 1 1 1010 . 4 1 1 A 100 100 THR N N 100 117.633 113.550 4.083 1 1 1011 . 4 1 1 A 101 101 GLN H H 101 8.160 8.799 -0.639 1 1 1012 . 4 1 1 A 101 101 GLN HA H 101 4.017 4.005 0.012 1 1 1018 . 4 1 1 A 101 101 GLN C C 101 179.034 177.774 1.260 1 1 1019 . 4 1 1 A 101 101 GLN CA C 101 58.649 57.737 0.912 1 1 1020 . 4 1 1 A 101 101 GLN CB C 101 27.541 28.806 -1.265 1 1 1022 . 4 1 1 A 101 101 GLN N N 101 122.138 120.539 1.599 1 1 1024 . 4 1 1 A 102 102 ALA H H 102 8.768 8.814 -0.046 1 1 1025 . 4 1 1 A 102 102 ALA HA H 102 4.036 4.170 -0.134 1 1 1029 . 4 1 1 A 102 102 ALA C C 102 178.466 178.837 -0.371 1 1 1030 . 4 1 1 A 102 102 ALA CA C 102 55.525 54.893 0.632 1 1 1031 . 4 1 1 A 102 102 ALA CB C 102 18.046 19.172 -1.126 1 1 1032 . 4 1 1 A 102 102 ALA N N 102 124.541 122.195 2.346 1 1 1033 . 4 1 1 A 103 103 GLU H H 103 8.552 9.300 -0.748 1 1 1034 . 4 1 1 A 103 103 GLU HA H 103 3.680 3.972 -0.292 1 1 1039 . 4 1 1 A 103 103 GLU C C 103 178.447 178.410 0.037 1 1 1040 . 4 1 1 A 103 103 GLU CA C 103 59.802 59.310 0.492 1 1 1041 . 4 1 1 A 103 103 GLU CB C 103 29.672 29.395 0.277 1 1 1043 . 4 1 1 A 103 103 GLU N N 103 120.048 118.458 1.590 1 1 1044 . 4 1 1 A 104 104 ARG H H 104 8.242 7.872 0.370 1 1 1045 . 4 1 1 A 104 104 ARG HA H 104 4.214 3.953 0.261 1 1 1048 . 4 1 1 A 104 104 ARG C C 104 178.958 178.412 0.546 1 1 1049 . 4 1 1 A 104 104 ARG CA C 104 58.135 59.100 -0.965 1 1 1050 . 4 1 1 A 104 104 ARG CB C 104 29.742 29.598 0.144 1 1 1051 . 4 1 1 A 104 104 ARG N N 104 119.448 120.168 -0.720 1 1 1052 . 4 1 1 A 105 105 SER H H 105 8.087 8.045 0.042 1 1 1053 . 4 1 1 A 105 105 SER HA H 105 4.290 4.153 0.137 1 1 1056 . 4 1 1 A 105 105 SER CA C 105 61.917 61.356 0.561 1 1 1057 . 4 1 1 A 105 105 SER N N 105 117.329 114.988 2.341 1 1 1058 . 4 1 1 A 106 106 ILE H H 106 8.403 7.573 0.830 1 1 1059 . 4 1 1 A 106 106 ILE HA H 106 4.113 3.654 0.459 1 1 1069 . 4 1 1 A 106 106 ILE CA C 106 61.487 64.892 -3.405 1 1 1070 . 4 1 1 A 106 106 ILE CB C 106 35.600 37.266 -1.666 1 1 1074 . 4 1 1 A 106 106 ILE N N 106 124.394 121.778 2.616 1 1 1075 . 4 1 1 A 107 107 GLU H H 107 8.187 8.139 0.048 1 1 1076 . 4 1 1 A 107 107 GLU HA H 107 4.126 4.170 -0.044 1 1 1079 . 4 1 1 A 107 107 GLU C C 107 177.494 178.363 -0.869 1 1 1080 . 4 1 1 A 107 107 GLU CA C 107 58.849 58.603 0.246 1 1 1081 . 4 1 1 A 107 107 GLU CB C 107 29.052 29.686 -0.634 1 1 1082 . 4 1 1 A 107 107 GLU N N 107 123.223 121.191 2.032 1 1 1083 . 4 1 1 A 108 108 ARG H H 108 7.651 8.283 -0.632 1 1 1084 . 4 1 1 A 108 108 ARG HA H 108 4.431 4.517 -0.086 1 1 1090 . 4 1 1 A 108 108 ARG C C 108 175.927 176.390 -0.463 1 1 1091 . 4 1 1 A 108 108 ARG CA C 108 55.584 57.433 -1.849 1 1 1092 . 4 1 1 A 108 108 ARG CB C 108 30.806 32.919 -2.113 1 1 1094 . 4 1 1 A 108 108 ARG N N 108 117.394 119.281 -1.887 1 1 1095 . 4 1 1 A 109 109 GLY H H 109 8.190 7.413 0.777 1 1 1096 . 4 1 1 A 109 109 GLY HA2 H 109 4.141 4.096 0.045 1 1 1097 . 4 1 1 A 109 109 GLY HA3 H 109 4.060 4.097 -0.037 1 1 1098 . 4 1 1 A 109 109 GLY C C 109 174.031 173.879 0.152 1 1 1099 . 4 1 1 A 109 109 GLY CA C 109 45.823 46.150 -0.327 1 1 1100 . 4 1 1 A 109 109 GLY N N 109 110.712 105.425 5.287 1 1 7 . 5 1 1 A 2 2 ASP H H 2 8.644 7.645 0.999 1 1 8 . 5 1 1 A 2 2 ASP HA H 2 4.373 4.498 -0.125 1 1 11 . 5 1 1 A 2 2 ASP C C 2 178.938 176.346 2.592 1 1 12 . 5 1 1 A 2 2 ASP CA C 2 53.794 54.864 -1.070 1 1 13 . 5 1 1 A 2 2 ASP CB C 2 41.025 41.572 -0.547 1 1 14 . 5 1 1 A 2 2 ASP N N 2 122.106 121.689 0.417 1 1 15 . 5 1 1 A 3 3 SER H H 3 8.508 8.973 -0.465 1 1 16 . 5 1 1 A 3 3 SER HA H 3 4.331 4.549 -0.218 1 1 19 . 5 1 1 A 3 3 SER C C 3 174.777 174.429 0.348 1 1 20 . 5 1 1 A 3 3 SER CA C 3 58.141 58.789 -0.648 1 1 21 . 5 1 1 A 3 3 SER CB C 3 63.359 63.237 0.122 1 1 22 . 5 1 1 A 3 3 SER N N 3 117.604 115.086 2.518 1 1 23 . 5 1 1 A 4 4 GLY H H 4 8.603 8.317 0.286 1 1 24 . 5 1 1 A 4 4 GLY HA2 H 4 4.130 4.132 -0.002 1 1 25 . 5 1 1 A 4 4 GLY HA3 H 4 4.076 4.134 -0.058 1 1 26 . 5 1 1 A 4 4 GLY C C 4 174.283 172.020 2.263 1 1 27 . 5 1 1 A 4 4 GLY CA C 4 45.054 45.272 -0.218 1 1 28 . 5 1 1 A 4 4 GLY N N 4 111.842 108.202 3.640 1 1 29 . 5 1 1 A 5 5 THR H H 5 8.140 8.532 -0.392 1 1 30 . 5 1 1 A 5 5 THR HA H 5 4.371 4.753 -0.382 1 1 35 . 5 1 1 A 5 5 THR C C 5 174.827 172.831 1.996 1 1 36 . 5 1 1 A 5 5 THR CA C 5 61.515 61.066 0.449 1 1 37 . 5 1 1 A 5 5 THR CB C 5 69.683 71.764 -2.081 1 1 39 . 5 1 1 A 5 5 THR N N 5 112.188 115.457 -3.269 1 1 40 . 5 1 1 A 6 6 GLY H H 6 8.425 8.328 0.097 1 1 41 . 5 1 1 A 6 6 GLY HA2 H 6 4.109 4.190 -0.081 1 1 42 . 5 1 1 A 6 6 GLY HA3 H 6 3.875 4.234 -0.359 1 1 43 . 5 1 1 A 6 6 GLY C C 6 173.670 175.304 -1.634 1 1 44 . 5 1 1 A 6 6 GLY CA C 6 44.466 45.837 -1.371 1 1 45 . 5 1 1 A 6 6 GLY N N 6 110.955 111.369 -0.414 1 1 46 . 5 1 1 A 7 7 LEU H H 7 7.993 8.404 -0.411 1 1 47 . 5 1 1 A 7 7 LEU HA H 7 4.503 4.103 0.400 1 1 53 . 5 1 1 A 7 7 LEU C C 7 177.284 177.384 -0.100 1 1 54 . 5 1 1 A 7 7 LEU CA C 7 54.741 58.427 -3.686 1 1 55 . 5 1 1 A 7 7 LEU CB C 7 39.284 41.972 -2.688 1 1 58 . 5 1 1 A 7 7 LEU N N 7 121.268 122.280 -1.012 1 1 59 . 5 1 1 A 8 8 THR H H 8 10.385 7.643 2.742 1 1 60 . 5 1 1 A 8 8 THR HA H 8 4.521 4.368 0.153 1 1 65 . 5 1 1 A 8 8 THR C C 8 176.965 175.549 1.416 1 1 66 . 5 1 1 A 8 8 THR CA C 8 64.563 62.701 1.862 1 1 67 . 5 1 1 A 8 8 THR CB C 8 71.946 70.670 1.276 1 1 69 . 5 1 1 A 8 8 THR N N 8 113.472 107.811 5.661 1 1 70 . 5 1 1 A 9 9 GLY H H 9 9.733 8.286 1.447 1 1 71 . 5 1 1 A 9 9 GLY HA2 H 9 4.391 4.059 0.332 1 1 72 . 5 1 1 A 9 9 GLY HA3 H 9 3.805 4.180 -0.375 1 1 73 . 5 1 1 A 9 9 GLY C C 9 173.133 173.784 -0.651 1 1 74 . 5 1 1 A 9 9 GLY CA C 9 45.453 45.191 0.262 1 1 75 . 5 1 1 A 9 9 GLY N N 9 114.948 110.683 4.265 1 1 76 . 5 1 1 A 10 10 ASN H H 10 7.664 7.885 -0.221 1 1 77 . 5 1 1 A 10 10 ASN HA H 10 4.906 4.934 -0.028 1 1 82 . 5 1 1 A 10 10 ASN C C 10 173.098 173.974 -0.876 1 1 83 . 5 1 1 A 10 10 ASN CA C 10 51.504 51.094 0.410 1 1 84 . 5 1 1 A 10 10 ASN CB C 10 38.449 40.380 -1.931 1 1 85 . 5 1 1 A 10 10 ASN N N 10 120.991 118.405 2.586 1 1 87 . 5 1 1 A 11 11 TYR H H 11 8.892 8.187 0.705 1 1 88 . 5 1 1 A 11 11 TYR HA H 11 3.767 4.931 -1.164 1 1 91 . 5 1 1 A 11 11 TYR C C 11 177.871 177.010 0.861 1 1 92 . 5 1 1 A 11 11 TYR CA C 11 61.897 58.677 3.220 1 1 93 . 5 1 1 A 11 11 TYR CB C 11 38.099 39.911 -1.812 1 1 94 . 5 1 1 A 11 11 TYR N N 11 128.653 118.544 10.109 1 1 95 . 5 1 1 A 12 12 SER H H 12 8.729 8.997 -0.268 1 1 96 . 5 1 1 A 12 12 SER HA H 12 3.747 4.236 -0.489 1 1 99 . 5 1 1 A 12 12 SER C C 12 174.675 176.774 -2.099 1 1 100 . 5 1 1 A 12 12 SER CA C 12 62.371 62.474 -0.103 1 1 101 . 5 1 1 A 12 12 SER CB C 12 61.600 62.844 -1.244 1 1 102 . 5 1 1 A 12 12 SER N N 12 119.446 116.696 2.750 1 1 103 . 5 1 1 A 13 13 GLN H H 13 7.645 8.180 -0.535 1 1 104 . 5 1 1 A 13 13 GLN HA H 13 3.955 4.052 -0.097 1 1 110 . 5 1 1 A 13 13 GLN C C 13 178.400 177.882 0.518 1 1 111 . 5 1 1 A 13 13 GLN CA C 13 58.083 59.154 -1.071 1 1 112 . 5 1 1 A 13 13 GLN CB C 13 28.328 28.229 0.099 1 1 114 . 5 1 1 A 13 13 GLN N N 13 121.234 121.482 -0.248 1 1 116 . 5 1 1 A 14 14 ASP H H 14 9.314 8.271 1.043 1 1 117 . 5 1 1 A 14 14 ASP HA H 14 4.513 4.276 0.237 1 1 120 . 5 1 1 A 14 14 ASP C C 14 177.320 178.726 -1.406 1 1 121 . 5 1 1 A 14 14 ASP CA C 14 56.778 56.791 -0.013 1 1 122 . 5 1 1 A 14 14 ASP CB C 14 40.380 39.801 0.579 1 1 123 . 5 1 1 A 14 14 ASP N N 14 120.095 119.370 0.725 1 1 124 . 5 1 1 A 15 15 THR H H 15 8.283 7.979 0.304 1 1 125 . 5 1 1 A 15 15 THR HA H 15 3.637 4.003 -0.366 1 1 130 . 5 1 1 A 15 15 THR C C 15 174.455 177.085 -2.630 1 1 131 . 5 1 1 A 15 15 THR CA C 15 67.657 67.314 0.343 1 1 132 . 5 1 1 A 15 15 THR CB C 15 67.465 68.464 -0.999 1 1 134 . 5 1 1 A 15 15 THR N N 15 117.657 116.483 1.174 1 1 135 . 5 1 1 A 16 16 LEU H H 16 7.452 7.846 -0.394 1 1 136 . 5 1 1 A 16 16 LEU HA H 16 3.919 3.955 -0.036 1 1 140 . 5 1 1 A 16 16 LEU C C 16 179.666 178.909 0.757 1 1 141 . 5 1 1 A 16 16 LEU CA C 16 57.864 57.958 -0.094 1 1 142 . 5 1 1 A 16 16 LEU CB C 16 39.811 40.950 -1.139 1 1 144 . 5 1 1 A 16 16 LEU N N 16 120.034 117.797 2.237 1 1 145 . 5 1 1 A 17 17 THR H H 17 8.708 7.849 0.859 1 1 146 . 5 1 1 A 17 17 THR HA H 17 3.893 3.955 -0.062 1 1 151 . 5 1 1 A 17 17 THR C C 17 179.666 176.208 3.458 1 1 152 . 5 1 1 A 17 17 THR CA C 17 66.152 66.833 -0.681 1 1 153 . 5 1 1 A 17 17 THR CB C 17 67.921 68.791 -0.870 1 1 155 . 5 1 1 A 17 17 THR N N 17 121.382 115.478 5.904 1 1 156 . 5 1 1 A 18 18 VAL H H 18 8.194 7.884 0.310 1 1 157 . 5 1 1 A 18 18 VAL HA H 18 3.705 3.723 -0.018 1 1 165 . 5 1 1 A 18 18 VAL C C 18 177.242 177.829 -0.587 1 1 166 . 5 1 1 A 18 18 VAL CA C 18 65.886 65.420 0.466 1 1 167 . 5 1 1 A 18 18 VAL CB C 18 30.729 31.556 -0.827 1 1 170 . 5 1 1 A 18 18 VAL N N 18 123.227 120.326 2.901 1 1 171 . 5 1 1 A 19 19 ILE H H 19 7.933 8.186 -0.253 1 1 172 . 5 1 1 A 19 19 ILE HA H 19 2.633 3.674 -1.041 1 1 182 . 5 1 1 A 19 19 ILE C C 19 176.276 177.966 -1.690 1 1 183 . 5 1 1 A 19 19 ILE CA C 19 66.137 64.952 1.185 1 1 184 . 5 1 1 A 19 19 ILE CB C 19 37.782 37.133 0.649 1 1 188 . 5 1 1 A 19 19 ILE N N 19 119.786 121.572 -1.786 1 1 189 . 5 1 1 A 20 20 ALA H H 20 7.782 8.477 -0.695 1 1 190 . 5 1 1 A 20 20 ALA HA H 20 3.972 4.046 -0.074 1 1 194 . 5 1 1 A 20 20 ALA C C 20 180.867 180.142 0.725 1 1 195 . 5 1 1 A 20 20 ALA CA C 20 55.170 55.083 0.087 1 1 196 . 5 1 1 A 20 20 ALA CB C 20 17.282 18.235 -0.953 1 1 197 . 5 1 1 A 20 20 ALA N N 20 121.793 123.750 -1.957 1 1 198 . 5 1 1 A 21 21 THR H H 21 8.573 7.606 0.967 1 1 199 . 5 1 1 A 21 21 THR HA H 21 3.902 3.953 -0.051 1 1 204 . 5 1 1 A 21 21 THR C C 21 176.720 176.873 -0.153 1 1 205 . 5 1 1 A 21 21 THR CA C 21 65.200 66.588 -1.388 1 1 206 . 5 1 1 A 21 21 THR CB C 21 68.092 68.090 0.002 1 1 208 . 5 1 1 A 21 21 THR N N 21 118.393 114.871 3.522 1 1 209 . 5 1 1 A 22 22 LEU H H 22 8.583 7.945 0.638 1 1 210 . 5 1 1 A 22 22 LEU HA H 22 4.065 3.928 0.137 1 1 217 . 5 1 1 A 22 22 LEU C C 22 178.284 179.363 -1.079 1 1 218 . 5 1 1 A 22 22 LEU CA C 22 57.005 58.123 -1.118 1 1 219 . 5 1 1 A 22 22 LEU CB C 22 40.209 41.258 -1.049 1 1 223 . 5 1 1 A 22 22 LEU N N 22 122.517 121.460 1.057 1 1 224 . 5 1 1 A 23 23 ARG H H 23 8.858 8.575 0.283 1 1 225 . 5 1 1 A 23 23 ARG HA H 23 3.873 4.202 -0.329 1 1 230 . 5 1 1 A 23 23 ARG C C 23 178.503 178.960 -0.457 1 1 231 . 5 1 1 A 23 23 ARG CA C 23 60.362 59.512 0.850 1 1 232 . 5 1 1 A 23 23 ARG CB C 23 29.808 29.859 -0.051 1 1 235 . 5 1 1 A 23 23 ARG N N 23 120.502 118.390 2.112 1 1 237 . 5 1 1 A 24 24 GLU H H 24 7.250 7.710 -0.460 1 1 238 . 5 1 1 A 24 24 GLU HA H 24 4.109 4.137 -0.028 1 1 243 . 5 1 1 A 24 24 GLU CA C 24 58.312 58.843 -0.531 1 1 244 . 5 1 1 A 24 24 GLU CB C 24 29.024 29.099 -0.075 1 1 246 . 5 1 1 A 24 24 GLU N N 24 117.221 119.215 -1.994 1 1 247 . 5 1 1 A 25 25 ALA H H 25 8.223 7.950 0.273 1 1 248 . 5 1 1 A 25 25 ALA HA H 25 3.983 4.096 -0.113 1 1 252 . 5 1 1 A 25 25 ALA C C 25 180.617 179.814 0.803 1 1 253 . 5 1 1 A 25 25 ALA CA C 25 55.203 54.936 0.267 1 1 254 . 5 1 1 A 25 25 ALA CB C 25 17.657 18.489 -0.832 1 1 255 . 5 1 1 A 25 25 ALA N N 25 121.823 122.472 -0.649 1 1 256 . 5 1 1 A 26 26 ILE H H 26 8.552 7.613 0.939 1 1 257 . 5 1 1 A 26 26 ILE HA H 26 4.144 3.799 0.345 1 1 267 . 5 1 1 A 26 26 ILE C C 26 175.586 176.031 -0.445 1 1 268 . 5 1 1 A 26 26 ILE CA C 26 63.790 63.467 0.323 1 1 269 . 5 1 1 A 26 26 ILE CB C 26 37.496 37.900 -0.404 1 1 273 . 5 1 1 A 26 26 ILE N N 26 112.838 119.371 -6.533 1 1 274 . 5 1 1 A 27 27 ASP H H 27 7.175 7.447 -0.272 1 1 275 . 5 1 1 A 27 27 ASP HA H 27 4.934 4.815 0.119 1 1 278 . 5 1 1 A 27 27 ASP C C 27 175.602 174.504 1.098 1 1 279 . 5 1 1 A 27 27 ASP CA C 27 53.160 52.893 0.267 1 1 280 . 5 1 1 A 27 27 ASP CB C 27 41.754 41.238 0.516 1 1 281 . 5 1 1 A 27 27 ASP N N 27 120.840 121.151 -0.311 1 1 282 . 5 1 1 A 28 28 LEU H H 28 7.136 7.829 -0.693 1 1 283 . 5 1 1 A 28 28 LEU HA H 28 4.510 4.539 -0.029 1 1 290 . 5 1 1 A 28 28 LEU CA C 28 53.379 53.122 0.257 1 1 291 . 5 1 1 A 28 28 LEU CB C 28 42.286 41.185 1.101 1 1 294 . 5 1 1 A 28 28 LEU N N 28 124.155 121.269 2.886 1 1 295 . 5 1 1 A 29 29 PRO HA H 29 4.552 4.546 0.006 1 1 301 . 5 1 1 A 29 29 PRO C C 29 177.414 177.632 -0.218 1 1 302 . 5 1 1 A 29 29 PRO CA C 29 62.506 63.025 -0.519 1 1 303 . 5 1 1 A 29 29 PRO CB C 29 32.263 32.572 -0.309 1 1 305 . 5 1 1 A 30 30 GLN H H 30 8.935 8.572 0.363 1 1 306 . 5 1 1 A 30 30 GLN HA H 30 3.966 4.017 -0.051 1 1 311 . 5 1 1 A 30 30 GLN C C 30 175.595 176.778 -1.183 1 1 312 . 5 1 1 A 30 30 GLN CA C 30 58.036 58.334 -0.298 1 1 313 . 5 1 1 A 30 30 GLN CB C 30 28.116 28.311 -0.195 1 1 315 . 5 1 1 A 30 30 GLN N N 30 122.119 121.822 0.297 1 1 317 . 5 1 1 A 31 31 ASP H H 31 8.353 7.926 0.427 1 1 318 . 5 1 1 A 31 31 ASP HA H 31 4.682 4.660 0.022 1 1 321 . 5 1 1 A 31 31 ASP C C 31 175.518 175.804 -0.286 1 1 322 . 5 1 1 A 31 31 ASP CA C 31 52.178 54.565 -2.387 1 1 323 . 5 1 1 A 31 31 ASP CB C 31 39.270 41.562 -2.292 1 1 324 . 5 1 1 A 31 31 ASP N N 31 115.909 118.237 -2.328 1 1 325 . 5 1 1 A 32 32 ALA H H 32 7.467 7.597 -0.130 1 1 326 . 5 1 1 A 32 32 ALA HA H 32 4.564 4.757 -0.193 1 1 330 . 5 1 1 A 32 32 ALA CA C 32 50.496 50.080 0.416 1 1 331 . 5 1 1 A 32 32 ALA CB C 32 17.852 18.872 -1.020 1 1 332 . 5 1 1 A 32 32 ALA N N 32 124.893 122.150 2.743 1 1 333 . 5 1 1 A 33 33 PRO HA H 33 4.494 4.487 0.007 1 1 339 . 5 1 1 A 33 33 PRO C C 33 176.278 176.063 0.215 1 1 340 . 5 1 1 A 33 33 PRO CA C 33 63.894 63.588 0.306 1 1 341 . 5 1 1 A 33 33 PRO CB C 33 31.354 31.123 0.231 1 1 344 . 5 1 1 A 34 34 ASN H H 34 8.577 9.083 -0.506 1 1 345 . 5 1 1 A 34 34 ASN HA H 34 5.041 5.192 -0.151 1 1 350 . 5 1 1 A 34 34 ASN C C 34 174.678 175.587 -0.909 1 1 351 . 5 1 1 A 34 34 ASN CA C 34 51.792 52.642 -0.850 1 1 352 . 5 1 1 A 34 34 ASN CB C 34 36.334 39.059 -2.725 1 1 353 . 5 1 1 A 34 34 ASN N N 34 115.598 118.547 -2.949 1 1 355 . 5 1 1 A 35 35 ARG H H 35 7.401 8.293 -0.892 1 1 356 . 5 1 1 A 35 35 ARG HA H 35 3.726 4.057 -0.331 1 1 363 . 5 1 1 A 35 35 ARG C C 35 176.887 178.218 -1.331 1 1 364 . 5 1 1 A 35 35 ARG CA C 35 60.063 59.200 0.863 1 1 365 . 5 1 1 A 35 35 ARG CB C 35 29.571 29.896 -0.325 1 1 368 . 5 1 1 A 35 35 ARG N N 35 119.690 119.841 -0.151 1 1 370 . 5 1 1 A 36 36 GLN H H 36 8.780 8.156 0.624 1 1 371 . 5 1 1 A 36 36 GLN HA H 36 3.805 4.198 -0.393 1 1 377 . 5 1 1 A 36 36 GLN CA C 36 58.618 59.114 -0.496 1 1 378 . 5 1 1 A 36 36 GLN CB C 36 27.595 28.565 -0.970 1 1 380 . 5 1 1 A 36 36 GLN N N 36 119.100 119.555 -0.455 1 1 382 . 5 1 1 A 37 37 GLU H H 37 8.128 7.928 0.200 1 1 383 . 5 1 1 A 37 37 GLU HA H 37 4.137 4.201 -0.064 1 1 387 . 5 1 1 A 37 37 GLU C C 37 179.222 179.049 0.173 1 1 388 . 5 1 1 A 37 37 GLU CA C 37 59.336 58.833 0.503 1 1 389 . 5 1 1 A 37 37 GLU CB C 37 28.781 29.693 -0.912 1 1 391 . 5 1 1 A 37 37 GLU N N 37 120.485 120.184 0.301 1 1 392 . 5 1 1 A 38 38 VAL H H 38 8.127 8.918 -0.791 1 1 393 . 5 1 1 A 38 38 VAL HA H 38 3.708 3.650 0.058 1 1 401 . 5 1 1 A 38 38 VAL C C 38 178.246 178.071 0.175 1 1 402 . 5 1 1 A 38 38 VAL CA C 38 66.019 66.715 -0.696 1 1 403 . 5 1 1 A 38 38 VAL CB C 38 31.008 31.632 -0.624 1 1 406 . 5 1 1 A 38 38 VAL N N 38 121.937 120.000 1.937 1 1 407 . 5 1 1 A 39 39 GLN H H 39 8.324 7.833 0.491 1 1 408 . 5 1 1 A 39 39 GLN HA H 39 3.764 4.013 -0.249 1 1 415 . 5 1 1 A 39 39 GLN C C 39 177.642 177.789 -0.147 1 1 416 . 5 1 1 A 39 39 GLN CA C 39 59.019 58.884 0.135 1 1 417 . 5 1 1 A 39 39 GLN CB C 39 27.176 28.605 -1.429 1 1 419 . 5 1 1 A 39 39 GLN N N 39 120.203 120.152 0.051 1 1 421 . 5 1 1 A 40 40 ASP H H 40 8.699 8.609 0.090 1 1 422 . 5 1 1 A 40 40 ASP HA H 40 4.391 4.362 0.029 1 1 425 . 5 1 1 A 40 40 ASP C C 40 179.726 178.670 1.056 1 1 426 . 5 1 1 A 40 40 ASP CA C 40 57.267 57.627 -0.360 1 1 427 . 5 1 1 A 40 40 ASP CB C 40 39.458 41.621 -2.163 1 1 428 . 5 1 1 A 40 40 ASP N N 40 121.604 119.603 2.001 1 1 429 . 5 1 1 A 41 41 THR H H 41 8.449 8.029 0.420 1 1 430 . 5 1 1 A 41 41 THR HA H 41 3.981 3.983 -0.002 1 1 435 . 5 1 1 A 41 41 THR CA C 41 66.254 66.016 0.238 1 1 436 . 5 1 1 A 41 41 THR CB C 41 67.937 68.597 -0.660 1 1 437 . 5 1 1 A 41 41 THR N N 41 121.386 116.091 5.295 1 1 438 . 5 1 1 A 42 42 ALA H H 42 8.552 7.740 0.812 1 1 439 . 5 1 1 A 42 42 ALA HA H 42 3.876 3.992 -0.116 1 1 443 . 5 1 1 A 42 42 ALA C C 42 178.300 179.837 -1.537 1 1 444 . 5 1 1 A 42 42 ALA CA C 42 55.244 55.002 0.242 1 1 445 . 5 1 1 A 42 42 ALA CB C 42 17.295 18.204 -0.909 1 1 446 . 5 1 1 A 42 42 ALA N N 42 126.245 123.435 2.810 1 1 447 . 5 1 1 A 43 43 ARG H H 43 8.553 8.064 0.489 1 1 448 . 5 1 1 A 43 43 ARG HA H 43 3.923 4.170 -0.247 1 1 451 . 5 1 1 A 43 43 ARG C C 43 178.522 179.441 -0.919 1 1 452 . 5 1 1 A 43 43 ARG CA C 43 59.680 59.899 -0.219 1 1 453 . 5 1 1 A 43 43 ARG CB C 43 29.887 30.169 -0.282 1 1 454 . 5 1 1 A 43 43 ARG N N 43 117.705 119.382 -1.677 1 1 455 . 5 1 1 A 44 44 GLY H H 44 8.049 7.999 0.050 1 1 456 . 5 1 1 A 44 44 GLY HA2 H 44 4.066 3.789 0.277 1 1 457 . 5 1 1 A 44 44 GLY HA3 H 44 3.972 3.791 0.181 1 1 458 . 5 1 1 A 44 44 GLY CA C 44 46.710 47.500 -0.790 1 1 459 . 5 1 1 A 44 44 GLY N N 44 106.443 106.938 -0.495 1 1 460 . 5 1 1 A 45 45 GLN H H 45 8.305 7.382 0.923 1 1 461 . 5 1 1 A 45 45 GLN HA H 45 4.204 4.029 0.175 1 1 466 . 5 1 1 A 45 45 GLN C C 45 177.942 178.878 -0.936 1 1 467 . 5 1 1 A 45 45 GLN CA C 45 59.930 58.452 1.478 1 1 468 . 5 1 1 A 45 45 GLN CB C 45 28.520 28.445 0.075 1 1 470 . 5 1 1 A 45 45 GLN N N 45 123.780 120.913 2.867 1 1 472 . 5 1 1 A 46 46 ILE H H 46 8.673 7.743 0.930 1 1 473 . 5 1 1 A 46 46 ILE HA H 46 3.594 3.604 -0.010 1 1 483 . 5 1 1 A 46 46 ILE C C 46 176.649 177.827 -1.178 1 1 484 . 5 1 1 A 46 46 ILE CA C 46 66.299 65.751 0.548 1 1 485 . 5 1 1 A 46 46 ILE CB C 46 37.762 38.289 -0.527 1 1 489 . 5 1 1 A 46 46 ILE N N 46 120.050 121.346 -1.296 1 1 490 . 5 1 1 A 47 47 ASN H H 47 7.866 8.377 -0.511 1 1 491 . 5 1 1 A 47 47 ASN HA H 47 4.525 4.464 0.061 1 1 495 . 5 1 1 A 47 47 ASN C C 47 176.649 177.500 -0.851 1 1 496 . 5 1 1 A 47 47 ASN CA C 47 55.703 56.575 -0.872 1 1 497 . 5 1 1 A 47 47 ASN CB C 47 37.925 38.256 -0.331 1 1 498 . 5 1 1 A 47 47 ASN N N 47 116.444 118.425 -1.981 1 1 500 . 5 1 1 A 48 48 ASP H H 48 8.185 8.087 0.098 1 1 501 . 5 1 1 A 48 48 ASP HA H 48 4.460 4.740 -0.280 1 1 504 . 5 1 1 A 48 48 ASP C C 48 176.285 178.203 -1.918 1 1 505 . 5 1 1 A 48 48 ASP CA C 48 56.635 57.167 -0.532 1 1 506 . 5 1 1 A 48 48 ASP CB C 48 41.593 41.044 0.549 1 1 507 . 5 1 1 A 48 48 ASP N N 48 121.725 119.654 2.071 1 1 508 . 5 1 1 A 49 49 TYR H H 49 8.756 9.294 -0.538 1 1 509 . 5 1 1 A 49 49 TYR HA H 49 3.892 4.287 -0.395 1 1 512 . 5 1 1 A 49 49 TYR C C 49 176.432 177.176 -0.744 1 1 513 . 5 1 1 A 49 49 TYR CA C 49 62.617 61.433 1.184 1 1 514 . 5 1 1 A 49 49 TYR CB C 49 39.188 38.990 0.198 1 1 515 . 5 1 1 A 49 49 TYR N N 49 121.005 120.471 0.534 1 1 516 . 5 1 1 A 50 50 ILE H H 50 8.481 9.039 -0.558 1 1 517 . 5 1 1 A 50 50 ILE HA H 50 3.901 3.643 0.258 1 1 527 . 5 1 1 A 50 50 ILE C C 50 177.407 178.097 -0.690 1 1 528 . 5 1 1 A 50 50 ILE CA C 50 63.893 63.598 0.295 1 1 529 . 5 1 1 A 50 50 ILE CB C 50 36.668 36.864 -0.196 1 1 533 . 5 1 1 A 50 50 ILE N N 50 117.237 120.342 -3.105 1 1 534 . 5 1 1 A 51 51 SER H H 51 7.870 8.013 -0.143 1 1 535 . 5 1 1 A 51 51 SER HA H 51 4.203 4.105 0.098 1 1 538 . 5 1 1 A 51 51 SER C C 51 177.413 175.643 1.770 1 1 539 . 5 1 1 A 51 51 SER CA C 51 61.003 61.857 -0.854 1 1 540 . 5 1 1 A 51 51 SER CB C 51 62.711 63.014 -0.303 1 1 541 . 5 1 1 A 51 51 SER N N 51 113.635 116.725 -3.090 1 1 542 . 5 1 1 A 52 52 ARG H H 52 8.386 7.329 1.057 1 1 543 . 5 1 1 A 52 52 ARG HA H 52 3.816 4.468 -0.652 1 1 551 . 5 1 1 A 52 52 ARG C C 52 178.788 175.881 2.907 1 1 552 . 5 1 1 A 52 52 ARG CA C 52 58.343 55.441 2.902 1 1 553 . 5 1 1 A 52 52 ARG CB C 52 30.053 31.606 -1.553 1 1 556 . 5 1 1 A 52 52 ARG N N 52 120.787 115.347 5.440 1 1 558 . 5 1 1 A 53 53 TYR H H 53 7.428 7.607 -0.179 1 1 559 . 5 1 1 A 53 53 TYR HA H 53 4.667 4.825 -0.158 1 1 562 . 5 1 1 A 53 53 TYR C C 53 174.743 175.492 -0.749 1 1 563 . 5 1 1 A 53 53 TYR CA C 53 57.922 57.176 0.746 1 1 564 . 5 1 1 A 53 53 TYR CB C 53 38.030 38.473 -0.443 1 1 565 . 5 1 1 A 53 53 TYR N N 53 115.269 119.888 -4.619 1 1 566 . 5 1 1 A 54 54 ARG H H 54 7.775 8.137 -0.362 1 1 567 . 5 1 1 A 54 54 ARG HA H 54 4.249 3.496 0.753 1 1 570 . 5 1 1 A 54 54 ARG C C 54 177.121 176.031 1.090 1 1 571 . 5 1 1 A 54 54 ARG CA C 54 58.720 58.199 0.521 1 1 572 . 5 1 1 A 54 54 ARG CB C 54 29.345 29.814 -0.469 1 1 573 . 5 1 1 A 54 54 ARG N N 54 120.518 118.982 1.536 1 1 574 . 5 1 1 A 55 55 ARG H H 55 8.319 7.647 0.672 1 1 575 . 5 1 1 A 55 55 ARG HA H 55 4.249 4.198 0.051 1 1 577 . 5 1 1 A 55 55 ARG C C 55 177.395 176.570 0.825 1 1 578 . 5 1 1 A 55 55 ARG CA C 55 56.766 55.884 0.882 1 1 579 . 5 1 1 A 55 55 ARG CB C 55 29.231 30.704 -1.473 1 1 580 . 5 1 1 A 55 55 ARG N N 55 119.094 119.583 -0.489 1 1 581 . 5 1 1 A 56 56 LYS H H 56 8.062 8.748 -0.686 1 1 582 . 5 1 1 A 56 56 LYS HA H 56 4.069 4.213 -0.144 1 1 588 . 5 1 1 A 56 56 LYS C C 56 177.177 177.045 0.132 1 1 589 . 5 1 1 A 56 56 LYS CA C 56 56.740 58.912 -2.172 1 1 590 . 5 1 1 A 56 56 LYS CB C 56 31.291 33.646 -2.355 1 1 594 . 5 1 1 A 56 56 LYS N N 56 121.271 126.764 -5.493 1 1 595 . 5 1 1 A 57 57 GLY H H 57 8.138 7.361 0.777 1 1 596 . 5 1 1 A 57 57 GLY HA2 H 57 4.055 4.095 -0.040 1 1 597 . 5 1 1 A 57 57 GLY HA3 H 57 3.766 4.105 -0.339 1 1 598 . 5 1 1 A 57 57 GLY C C 57 174.196 172.493 1.703 1 1 599 . 5 1 1 A 57 57 GLY CA C 57 45.336 45.468 -0.132 1 1 600 . 5 1 1 A 57 57 GLY N N 57 108.747 106.536 2.211 1 1 601 . 5 1 1 A 58 58 ASP H H 58 7.937 8.693 -0.756 1 1 602 . 5 1 1 A 58 58 ASP HA H 58 4.571 4.516 0.055 1 1 604 . 5 1 1 A 58 58 ASP CA C 58 54.548 54.880 -0.332 1 1 605 . 5 1 1 A 58 58 ASP CB C 58 40.254 41.011 -0.757 1 1 606 . 5 1 1 A 58 58 ASP N N 58 121.456 126.314 -4.858 1 1 607 . 5 1 1 A 59 59 ALA H H 59 8.150 8.604 -0.454 1 1 608 . 5 1 1 A 59 59 ALA HA H 59 4.178 4.431 -0.253 1 1 612 . 5 1 1 A 59 59 ALA C C 59 177.927 177.181 0.746 1 1 613 . 5 1 1 A 59 59 ALA CA C 59 52.751 51.389 1.362 1 1 614 . 5 1 1 A 59 59 ALA CB C 59 18.062 20.628 -2.566 1 1 615 . 5 1 1 A 59 59 ALA N N 59 123.316 127.543 -4.227 1 1 616 . 5 1 1 A 60 60 GLY H H 60 8.190 8.330 -0.140 1 1 617 . 5 1 1 A 60 60 GLY HA2 H 60 3.954 3.965 -0.011 1 1 618 . 5 1 1 A 60 60 GLY HA3 H 60 3.962 3.971 -0.009 1 1 619 . 5 1 1 A 60 60 GLY C C 60 174.572 174.303 0.269 1 1 620 . 5 1 1 A 60 60 GLY CA C 60 45.301 45.185 0.116 1 1 621 . 5 1 1 A 60 60 GLY N N 60 107.588 107.588 0.000 1 1 622 . 5 1 1 A 61 61 GLY H H 61 8.014 8.103 -0.089 1 1 623 . 5 1 1 A 61 61 GLY HA2 H 61 4.068 3.966 0.102 1 1 624 . 5 1 1 A 61 61 GLY HA3 H 61 3.882 4.100 -0.218 1 1 625 . 5 1 1 A 61 61 GLY C C 61 173.560 172.806 0.754 1 1 626 . 5 1 1 A 61 61 GLY CA C 61 44.784 44.463 0.321 1 1 627 . 5 1 1 A 61 61 GLY N N 61 108.839 108.116 0.723 1 1 628 . 5 1 1 A 62 62 LEU H H 62 8.038 8.567 -0.529 1 1 629 . 5 1 1 A 62 62 LEU HA H 62 4.528 4.833 -0.305 1 1 636 . 5 1 1 A 62 62 LEU C C 62 177.058 178.437 -1.379 1 1 637 . 5 1 1 A 62 62 LEU CA C 62 54.038 53.392 0.646 1 1 638 . 5 1 1 A 62 62 LEU CB C 62 42.254 43.321 -1.067 1 1 641 . 5 1 1 A 62 62 LEU N N 62 122.191 124.528 -2.337 1 1 642 . 5 1 1 A 63 63 LYS H H 63 9.378 8.844 0.534 1 1 643 . 5 1 1 A 63 63 LYS HA H 63 4.223 4.208 0.015 1 1 647 . 5 1 1 A 63 63 LYS C C 63 179.928 178.915 1.013 1 1 648 . 5 1 1 A 63 63 LYS CA C 63 58.665 58.910 -0.245 1 1 649 . 5 1 1 A 63 63 LYS CB C 63 31.663 33.007 -1.344 1 1 651 . 5 1 1 A 63 63 LYS N N 63 129.582 121.157 8.425 1 1 652 . 5 1 1 A 64 64 SER H H 64 10.250 8.342 1.908 1 1 653 . 5 1 1 A 64 64 SER HA H 64 4.169 4.444 -0.275 1 1 656 . 5 1 1 A 64 64 SER C C 64 175.569 176.070 -0.501 1 1 657 . 5 1 1 A 64 64 SER CA C 64 61.010 62.109 -1.099 1 1 658 . 5 1 1 A 64 64 SER N N 64 117.647 116.985 0.662 1 1 659 . 5 1 1 A 65 65 PHE H H 65 7.035 7.846 -0.811 1 1 660 . 5 1 1 A 65 65 PHE HA H 65 4.444 4.302 0.142 1 1 663 . 5 1 1 A 65 65 PHE C C 65 176.884 176.738 0.146 1 1 664 . 5 1 1 A 65 65 PHE CA C 65 61.911 61.544 0.367 1 1 665 . 5 1 1 A 65 65 PHE CB C 65 38.861 39.529 -0.668 1 1 666 . 5 1 1 A 65 65 PHE N N 65 123.056 123.306 -0.250 1 1 667 . 5 1 1 A 66 66 THR H H 66 8.475 8.263 0.212 1 1 668 . 5 1 1 A 66 66 THR HA H 66 3.932 3.362 0.570 1 1 673 . 5 1 1 A 66 66 THR C C 66 176.884 176.390 0.494 1 1 674 . 5 1 1 A 66 66 THR CA C 66 66.236 65.700 0.536 1 1 675 . 5 1 1 A 66 66 THR CB C 66 67.993 68.300 -0.307 1 1 677 . 5 1 1 A 66 66 THR N N 66 115.996 115.106 0.890 1 1 678 . 5 1 1 A 67 67 THR H H 67 8.100 7.941 0.159 1 1 679 . 5 1 1 A 67 67 THR HA H 67 3.979 4.182 -0.203 1 1 684 . 5 1 1 A 67 67 THR CA C 67 66.516 66.113 0.403 1 1 685 . 5 1 1 A 67 67 THR CB C 67 68.188 68.254 -0.066 1 1 687 . 5 1 1 A 67 67 THR N N 67 120.365 116.048 4.317 1 1 688 . 5 1 1 A 68 68 MET H H 68 8.134 7.637 0.497 1 1 689 . 5 1 1 A 68 68 MET HA H 68 4.429 3.880 0.549 1 1 697 . 5 1 1 A 68 68 MET C C 68 177.682 178.418 -0.736 1 1 698 . 5 1 1 A 68 68 MET CA C 68 56.239 59.010 -2.771 1 1 699 . 5 1 1 A 68 68 MET CB C 68 30.516 32.235 -1.719 1 1 702 . 5 1 1 A 68 68 MET N N 68 120.545 119.044 1.501 1 1 703 . 5 1 1 A 69 69 GLN H H 69 9.139 7.595 1.544 1 1 704 . 5 1 1 A 69 69 GLN HA H 69 3.694 4.106 -0.412 1 1 711 . 5 1 1 A 69 69 GLN C C 69 177.433 178.725 -1.292 1 1 712 . 5 1 1 A 69 69 GLN CA C 69 59.779 58.347 1.432 1 1 713 . 5 1 1 A 69 69 GLN CB C 69 28.547 27.974 0.573 1 1 715 . 5 1 1 A 69 69 GLN N N 69 120.358 118.390 1.968 1 1 717 . 5 1 1 A 70 70 THR H H 70 7.809 7.789 0.020 1 1 718 . 5 1 1 A 70 70 THR HA H 70 3.979 3.874 0.105 1 1 723 . 5 1 1 A 70 70 THR C C 70 176.394 176.219 0.175 1 1 724 . 5 1 1 A 70 70 THR CA C 70 66.028 66.533 -0.505 1 1 725 . 5 1 1 A 70 70 THR CB C 70 68.198 68.803 -0.605 1 1 727 . 5 1 1 A 70 70 THR N N 70 116.198 117.978 -1.780 1 1 728 . 5 1 1 A 71 71 ALA H H 71 7.859 8.754 -0.895 1 1 729 . 5 1 1 A 71 71 ALA HA H 71 3.994 4.093 -0.099 1 1 733 . 5 1 1 A 71 71 ALA CA C 71 54.902 55.047 -0.145 1 1 734 . 5 1 1 A 71 71 ALA CB C 71 17.926 18.038 -0.112 1 1 735 . 5 1 1 A 71 71 ALA N N 71 126.667 124.257 2.410 1 1 736 . 5 1 1 A 72 72 LEU H H 72 9.261 7.942 1.319 1 1 737 . 5 1 1 A 72 72 LEU HA H 72 3.915 4.088 -0.173 1 1 743 . 5 1 1 A 72 72 LEU C C 72 179.219 178.506 0.713 1 1 744 . 5 1 1 A 72 72 LEU CA C 72 58.406 58.252 0.154 1 1 745 . 5 1 1 A 72 72 LEU CB C 72 38.744 41.621 -2.877 1 1 747 . 5 1 1 A 72 72 LEU N N 72 119.657 120.487 -0.830 1 1 748 . 5 1 1 A 73 73 ASN H H 73 8.542 7.864 0.678 1 1 749 . 5 1 1 A 73 73 ASN HA H 73 4.606 4.455 0.151 1 1 754 . 5 1 1 A 73 73 ASN CA C 73 55.711 56.367 -0.656 1 1 755 . 5 1 1 A 73 73 ASN CB C 73 37.398 37.932 -0.534 1 1 756 . 5 1 1 A 73 73 ASN N N 73 118.851 117.327 1.524 1 1 758 . 5 1 1 A 74 74 SER H H 74 7.849 7.972 -0.123 1 1 759 . 5 1 1 A 74 74 SER HA H 74 4.379 4.188 0.191 1 1 762 . 5 1 1 A 74 74 SER C C 74 175.881 176.716 -0.835 1 1 763 . 5 1 1 A 74 74 SER CA C 74 61.405 61.542 -0.137 1 1 764 . 5 1 1 A 74 74 SER N N 74 118.042 115.094 2.948 1 1 765 . 5 1 1 A 75 75 LEU H H 75 8.084 9.020 -0.936 1 1 766 . 5 1 1 A 75 75 LEU HA H 75 4.181 4.054 0.127 1 1 773 . 5 1 1 A 75 75 LEU C C 75 176.899 178.850 -1.951 1 1 774 . 5 1 1 A 75 75 LEU CA C 75 56.746 57.935 -1.189 1 1 775 . 5 1 1 A 75 75 LEU CB C 75 41.896 41.447 0.449 1 1 777 . 5 1 1 A 75 75 LEU N N 75 124.099 118.701 5.398 1 1 778 . 5 1 1 A 76 76 ALA H H 76 8.695 8.239 0.456 1 1 779 . 5 1 1 A 76 76 ALA HA H 76 4.134 4.115 0.019 1 1 783 . 5 1 1 A 76 76 ALA C C 76 180.159 179.999 0.160 1 1 784 . 5 1 1 A 76 76 ALA CA C 76 55.315 55.245 0.070 1 1 785 . 5 1 1 A 76 76 ALA CB C 76 17.624 18.519 -0.895 1 1 786 . 5 1 1 A 76 76 ALA N N 76 121.934 122.660 -0.726 1 1 787 . 5 1 1 A 77 77 GLY H H 77 8.198 7.986 0.212 1 1 788 . 5 1 1 A 77 77 GLY HA2 H 77 3.917 3.637 0.280 1 1 789 . 5 1 1 A 77 77 GLY HA3 H 77 3.925 3.659 0.266 1 1 790 . 5 1 1 A 77 77 GLY C C 77 175.177 175.434 -0.257 1 1 791 . 5 1 1 A 77 77 GLY CA C 77 46.066 47.306 -1.240 1 1 792 . 5 1 1 A 77 77 GLY N N 77 105.613 106.704 -1.091 1 1 793 . 5 1 1 A 78 78 TYR H H 78 7.973 7.683 0.290 1 1 794 . 5 1 1 A 78 78 TYR HA H 78 4.326 4.120 0.206 1 1 797 . 5 1 1 A 78 78 TYR C C 78 176.705 177.438 -0.733 1 1 798 . 5 1 1 A 78 78 TYR CA C 78 61.280 61.158 0.122 1 1 799 . 5 1 1 A 78 78 TYR CB C 78 37.737 38.559 -0.822 1 1 800 . 5 1 1 A 78 78 TYR N N 78 123.680 123.557 0.123 1 1 801 . 5 1 1 A 79 79 TYR H H 79 8.347 7.932 0.415 1 1 802 . 5 1 1 A 79 79 TYR HA H 79 4.750 3.757 0.993 1 1 805 . 5 1 1 A 79 79 TYR C C 79 178.135 176.136 1.999 1 1 806 . 5 1 1 A 79 79 TYR CA C 79 57.389 61.469 -4.080 1 1 807 . 5 1 1 A 79 79 TYR CB C 79 36.796 38.647 -1.851 1 1 808 . 5 1 1 A 79 79 TYR N N 79 119.870 121.114 -1.244 1 1 809 . 5 1 1 A 80 80 THR H H 80 8.180 7.403 0.777 1 1 810 . 5 1 1 A 80 80 THR HA H 80 4.208 3.949 0.259 1 1 815 . 5 1 1 A 80 80 THR C C 80 175.302 173.946 1.356 1 1 816 . 5 1 1 A 80 80 THR CA C 80 64.276 63.031 1.245 1 1 817 . 5 1 1 A 80 80 THR CB C 80 69.098 69.765 -0.667 1 1 819 . 5 1 1 A 80 80 THR N N 80 114.967 113.772 1.195 1 1 820 . 5 1 1 A 81 81 SER H H 81 8.027 8.356 -0.329 1 1 821 . 5 1 1 A 81 81 SER HA H 81 4.214 4.360 -0.146 1 1 824 . 5 1 1 A 81 81 SER C C 81 174.305 174.061 0.244 1 1 825 . 5 1 1 A 81 81 SER CA C 81 60.578 59.910 0.668 1 1 826 . 5 1 1 A 81 81 SER CB C 81 63.385 63.011 0.374 1 1 827 . 5 1 1 A 81 81 SER N N 81 116.664 119.521 -2.857 1 1 828 . 5 1 1 A 82 82 TYR H H 82 8.396 8.745 -0.349 1 1 829 . 5 1 1 A 82 82 TYR HA H 82 4.612 4.720 -0.108 1 1 832 . 5 1 1 A 82 82 TYR C C 82 176.069 175.228 0.841 1 1 833 . 5 1 1 A 82 82 TYR CA C 82 57.676 59.126 -1.450 1 1 834 . 5 1 1 A 82 82 TYR CB C 82 38.160 40.721 -2.561 1 1 835 . 5 1 1 A 82 82 TYR N N 82 119.325 127.283 -7.958 1 1 836 . 5 1 1 A 83 83 GLY H H 83 7.982 7.652 0.330 1 1 837 . 5 1 1 A 83 83 GLY HA2 H 83 4.021 4.036 -0.015 1 1 838 . 5 1 1 A 83 83 GLY HA3 H 83 3.877 4.115 -0.238 1 1 839 . 5 1 1 A 83 83 GLY C C 83 178.820 172.263 6.557 1 1 840 . 5 1 1 A 83 83 GLY CA C 83 46.170 45.651 0.519 1 1 841 . 5 1 1 A 83 83 GLY N N 83 111.287 106.426 4.861 1 1 842 . 5 1 1 A 84 84 ALA H H 84 8.505 8.498 0.007 1 1 843 . 5 1 1 A 84 84 ALA HA H 84 4.619 4.848 -0.229 1 1 847 . 5 1 1 A 84 84 ALA C C 84 176.933 176.676 0.257 1 1 848 . 5 1 1 A 84 84 ALA CA C 84 51.514 50.839 0.675 1 1 849 . 5 1 1 A 84 84 ALA CB C 84 18.109 19.081 -0.972 1 1 850 . 5 1 1 A 84 84 ALA N N 84 126.408 121.701 4.707 1 1 851 . 5 1 1 A 85 85 ARG H H 85 8.057 8.032 0.025 1 1 852 . 5 1 1 A 85 85 ARG HA H 85 4.696 4.476 0.220 1 1 854 . 5 1 1 A 85 85 ARG CA C 85 53.887 57.120 -3.233 1 1 855 . 5 1 1 A 85 85 ARG CB C 85 30.500 32.740 -2.240 1 1 856 . 5 1 1 A 85 85 ARG N N 85 123.060 119.505 3.555 1 1 857 . 5 1 1 A 86 86 PRO HA H 86 4.426 4.676 -0.250 1 1 862 . 5 1 1 A 86 86 PRO CA C 86 62.541 62.054 0.487 1 1 863 . 5 1 1 A 86 86 PRO CB C 86 31.477 31.954 -0.477 1 1 864 . 5 1 1 A 87 87 ILE H H 87 8.449 8.550 -0.101 1 1 865 . 5 1 1 A 87 87 ILE HA H 87 3.821 4.563 -0.742 1 1 875 . 5 1 1 A 87 87 ILE CA C 87 58.300 58.829 -0.529 1 1 876 . 5 1 1 A 87 87 ILE CB C 87 37.630 38.670 -1.040 1 1 880 . 5 1 1 A 87 87 ILE N N 87 125.558 124.105 1.453 1 1 881 . 5 1 1 A 88 88 PRO HA H 88 4.425 4.534 -0.109 1 1 884 . 5 1 1 A 88 88 PRO C C 88 177.001 177.796 -0.795 1 1 885 . 5 1 1 A 88 88 PRO CA C 88 62.298 62.860 -0.562 1 1 886 . 5 1 1 A 88 88 PRO CB C 88 32.070 32.751 -0.681 1 1 887 . 5 1 1 A 89 89 GLU H H 89 8.861 8.733 0.128 1 1 888 . 5 1 1 A 89 89 GLU HA H 89 3.871 4.055 -0.184 1 1 891 . 5 1 1 A 89 89 GLU C C 89 177.756 178.561 -0.805 1 1 892 . 5 1 1 A 89 89 GLU CA C 89 59.711 59.315 0.396 1 1 893 . 5 1 1 A 89 89 GLU CB C 89 29.119 28.925 0.194 1 1 894 . 5 1 1 A 89 89 GLU N N 89 125.518 122.922 2.596 1 1 895 . 5 1 1 A 90 90 LYS H H 90 8.827 7.846 0.981 1 1 896 . 5 1 1 A 90 90 LYS HA H 90 3.969 4.005 -0.036 1 1 899 . 5 1 1 A 90 90 LYS C C 90 178.672 179.388 -0.716 1 1 900 . 5 1 1 A 90 90 LYS CA C 90 59.423 59.301 0.122 1 1 901 . 5 1 1 A 90 90 LYS CB C 90 31.820 32.310 -0.490 1 1 902 . 5 1 1 A 90 90 LYS N N 90 117.281 119.696 -2.415 1 1 903 . 5 1 1 A 91 91 LEU H H 91 6.857 8.231 -1.374 1 1 904 . 5 1 1 A 91 91 LEU HA H 91 4.212 4.008 0.204 1 1 911 . 5 1 1 A 91 91 LEU CA C 91 56.390 57.708 -1.318 1 1 912 . 5 1 1 A 91 91 LEU CB C 91 40.627 40.934 -0.307 1 1 915 . 5 1 1 A 91 91 LEU N N 91 120.818 119.856 0.962 1 1 916 . 5 1 1 A 92 92 LYS H H 92 8.156 8.464 -0.308 1 1 917 . 5 1 1 A 92 92 LYS HA H 92 3.558 3.929 -0.371 1 1 925 . 5 1 1 A 92 92 LYS C C 92 177.480 178.905 -1.425 1 1 926 . 5 1 1 A 92 92 LYS CA C 92 60.613 59.773 0.840 1 1 927 . 5 1 1 A 92 92 LYS CB C 92 31.812 32.384 -0.572 1 1 931 . 5 1 1 A 92 92 LYS N N 92 120.663 120.286 0.377 1 1 932 . 5 1 1 A 93 93 LYS H H 93 8.156 9.043 -0.887 1 1 933 . 5 1 1 A 93 93 LYS HA H 93 4.032 3.958 0.074 1 1 936 . 5 1 1 A 93 93 LYS C C 93 178.757 178.668 0.089 1 1 937 . 5 1 1 A 93 93 LYS CA C 93 58.546 59.496 -0.950 1 1 938 . 5 1 1 A 93 93 LYS CB C 93 31.726 32.222 -0.496 1 1 939 . 5 1 1 A 93 93 LYS N N 93 116.478 119.112 -2.634 1 1 940 . 5 1 1 A 94 94 ARG H H 94 7.287 8.222 -0.935 1 1 941 . 5 1 1 A 94 94 ARG HA H 94 4.032 4.064 -0.032 1 1 948 . 5 1 1 A 94 94 ARG C C 94 177.872 179.111 -1.239 1 1 949 . 5 1 1 A 94 94 ARG CA C 94 58.639 59.181 -0.542 1 1 950 . 5 1 1 A 94 94 ARG CB C 94 29.490 29.689 -0.199 1 1 953 . 5 1 1 A 94 94 ARG N N 94 120.980 119.446 1.534 1 1 955 . 5 1 1 A 95 95 LEU H H 95 8.365 9.177 -0.812 1 1 956 . 5 1 1 A 95 95 LEU HA H 95 3.597 4.014 -0.417 1 1 960 . 5 1 1 A 95 95 LEU C C 95 177.342 179.502 -2.160 1 1 961 . 5 1 1 A 95 95 LEU CA C 95 57.009 57.802 -0.793 1 1 962 . 5 1 1 A 95 95 LEU CB C 95 40.718 40.876 -0.158 1 1 964 . 5 1 1 A 95 95 LEU N N 95 119.611 119.829 -0.218 1 1 965 . 5 1 1 A 96 96 GLN H H 96 8.126 9.314 -1.188 1 1 966 . 5 1 1 A 96 96 GLN HA H 96 4.033 4.057 -0.024 1 1 972 . 5 1 1 A 96 96 GLN C C 96 179.502 178.353 1.149 1 1 973 . 5 1 1 A 96 96 GLN CA C 96 58.743 58.975 -0.232 1 1 974 . 5 1 1 A 96 96 GLN CB C 96 27.315 28.258 -0.943 1 1 976 . 5 1 1 A 96 96 GLN N N 96 115.986 119.705 -3.719 1 1 978 . 5 1 1 A 97 97 LEU H H 97 7.574 9.107 -1.533 1 1 979 . 5 1 1 A 97 97 LEU HA H 97 4.176 4.123 0.053 1 1 983 . 5 1 1 A 97 97 LEU CA C 97 57.816 57.744 0.072 1 1 984 . 5 1 1 A 97 97 LEU CB C 97 41.107 42.089 -0.982 1 1 985 . 5 1 1 A 97 97 LEU N N 97 121.721 121.139 0.582 1 1 986 . 5 1 1 A 98 98 GLU H H 98 8.180 9.072 -0.892 1 1 987 . 5 1 1 A 98 98 GLU HA H 98 3.970 3.958 0.012 1 1 989 . 5 1 1 A 98 98 GLU C C 98 178.852 178.958 -0.106 1 1 990 . 5 1 1 A 98 98 GLU CA C 98 59.074 59.422 -0.348 1 1 991 . 5 1 1 A 98 98 GLU CB C 98 28.376 29.128 -0.752 1 1 992 . 5 1 1 A 98 98 GLU N N 98 122.418 119.430 2.988 1 1 993 . 5 1 1 A 99 99 PHE H H 99 8.995 9.238 -0.243 1 1 994 . 5 1 1 A 99 99 PHE HA H 99 4.560 4.063 0.497 1 1 997 . 5 1 1 A 99 99 PHE C C 99 178.050 177.901 0.149 1 1 998 . 5 1 1 A 99 99 PHE CA C 99 57.595 61.413 -3.818 1 1 999 . 5 1 1 A 99 99 PHE CB C 99 36.788 39.151 -2.363 1 1 1000 . 5 1 1 A 99 99 PHE N N 99 118.943 120.669 -1.726 1 1 1001 . 5 1 1 A 100 100 THR H H 100 7.985 9.326 -1.341 1 1 1002 . 5 1 1 A 100 100 THR HA H 100 4.097 4.154 -0.057 1 1 1007 . 5 1 1 A 100 100 THR CA C 100 66.567 65.379 1.188 1 1 1008 . 5 1 1 A 100 100 THR CB C 100 68.200 68.617 -0.417 1 1 1010 . 5 1 1 A 100 100 THR N N 100 117.633 113.899 3.734 1 1 1011 . 5 1 1 A 101 101 GLN H H 101 8.160 9.159 -0.999 1 1 1012 . 5 1 1 A 101 101 GLN HA H 101 4.017 4.068 -0.051 1 1 1018 . 5 1 1 A 101 101 GLN C C 101 179.034 177.653 1.381 1 1 1019 . 5 1 1 A 101 101 GLN CA C 101 58.649 58.655 -0.006 1 1 1020 . 5 1 1 A 101 101 GLN CB C 101 27.541 28.126 -0.585 1 1 1022 . 5 1 1 A 101 101 GLN N N 101 122.138 119.705 2.433 1 1 1024 . 5 1 1 A 102 102 ALA H H 102 8.768 8.774 -0.006 1 1 1025 . 5 1 1 A 102 102 ALA HA H 102 4.036 4.158 -0.122 1 1 1029 . 5 1 1 A 102 102 ALA C C 102 178.466 178.793 -0.327 1 1 1030 . 5 1 1 A 102 102 ALA CA C 102 55.525 54.911 0.614 1 1 1031 . 5 1 1 A 102 102 ALA CB C 102 18.046 19.049 -1.003 1 1 1032 . 5 1 1 A 102 102 ALA N N 102 124.541 122.926 1.615 1 1 1033 . 5 1 1 A 103 103 GLU H H 103 8.552 9.214 -0.662 1 1 1034 . 5 1 1 A 103 103 GLU HA H 103 3.680 3.829 -0.149 1 1 1039 . 5 1 1 A 103 103 GLU C C 103 178.447 178.707 -0.260 1 1 1040 . 5 1 1 A 103 103 GLU CA C 103 59.802 59.050 0.752 1 1 1041 . 5 1 1 A 103 103 GLU CB C 103 29.672 28.852 0.820 1 1 1043 . 5 1 1 A 103 103 GLU N N 103 120.048 118.578 1.470 1 1 1044 . 5 1 1 A 104 104 ARG H H 104 8.242 8.488 -0.246 1 1 1045 . 5 1 1 A 104 104 ARG HA H 104 4.214 4.045 0.169 1 1 1048 . 5 1 1 A 104 104 ARG C C 104 178.958 178.429 0.529 1 1 1049 . 5 1 1 A 104 104 ARG CA C 104 58.135 59.285 -1.150 1 1 1050 . 5 1 1 A 104 104 ARG CB C 104 29.742 29.957 -0.215 1 1 1051 . 5 1 1 A 104 104 ARG N N 104 119.448 120.247 -0.799 1 1 1052 . 5 1 1 A 105 105 SER H H 105 8.087 7.559 0.528 1 1 1053 . 5 1 1 A 105 105 SER HA H 105 4.290 4.362 -0.072 1 1 1056 . 5 1 1 A 105 105 SER CA C 105 61.917 61.112 0.805 1 1 1057 . 5 1 1 A 105 105 SER N N 105 117.329 114.009 3.320 1 1 1058 . 5 1 1 A 106 106 ILE H H 106 8.403 7.703 0.700 1 1 1059 . 5 1 1 A 106 106 ILE HA H 106 4.113 3.541 0.572 1 1 1069 . 5 1 1 A 106 106 ILE CA C 106 61.487 65.418 -3.931 1 1 1070 . 5 1 1 A 106 106 ILE CB C 106 35.600 37.613 -2.013 1 1 1074 . 5 1 1 A 106 106 ILE N N 106 124.394 121.166 3.228 1 1 1075 . 5 1 1 A 107 107 GLU H H 107 8.187 7.931 0.256 1 1 1076 . 5 1 1 A 107 107 GLU HA H 107 4.126 4.276 -0.150 1 1 1079 . 5 1 1 A 107 107 GLU C C 107 177.494 175.761 1.733 1 1 1080 . 5 1 1 A 107 107 GLU CA C 107 58.849 55.853 2.996 1 1 1081 . 5 1 1 A 107 107 GLU CB C 107 29.052 28.798 0.254 1 1 1082 . 5 1 1 A 107 107 GLU N N 107 123.223 118.475 4.748 1 1 1083 . 5 1 1 A 108 108 ARG H H 108 7.651 7.902 -0.251 1 1 1084 . 5 1 1 A 108 108 ARG HA H 108 4.431 3.963 0.468 1 1 1090 . 5 1 1 A 108 108 ARG C C 108 175.927 176.303 -0.376 1 1 1091 . 5 1 1 A 108 108 ARG CA C 108 55.584 56.862 -1.278 1 1 1092 . 5 1 1 A 108 108 ARG CB C 108 30.806 28.449 2.357 1 1 1094 . 5 1 1 A 108 108 ARG N N 108 117.394 115.400 1.994 1 1 1095 . 5 1 1 A 109 109 GLY H H 109 8.190 8.063 0.127 1 1 1096 . 5 1 1 A 109 109 GLY HA2 H 109 4.141 4.104 0.037 1 1 1097 . 5 1 1 A 109 109 GLY HA3 H 109 4.060 4.104 -0.044 1 1 1098 . 5 1 1 A 109 109 GLY C C 109 174.031 174.051 -0.020 1 1 1099 . 5 1 1 A 109 109 GLY CA C 109 45.823 45.448 0.375 1 1 1100 . 5 1 1 A 109 109 GLY N N 109 110.712 108.448 2.264 1 1 7 . 6 1 1 A 2 2 ASP H H 2 8.644 8.701 -0.057 1 1 8 . 6 1 1 A 2 2 ASP HA H 2 4.373 4.951 -0.578 1 1 11 . 6 1 1 A 2 2 ASP C C 2 178.938 175.562 3.376 1 1 12 . 6 1 1 A 2 2 ASP CA C 2 53.794 54.102 -0.308 1 1 13 . 6 1 1 A 2 2 ASP CB C 2 41.025 41.260 -0.235 1 1 14 . 6 1 1 A 2 2 ASP N N 2 122.106 121.339 0.767 1 1 15 . 6 1 1 A 3 3 SER H H 3 8.508 7.757 0.751 1 1 16 . 6 1 1 A 3 3 SER HA H 3 4.331 4.677 -0.346 1 1 19 . 6 1 1 A 3 3 SER C C 3 174.777 175.119 -0.342 1 1 20 . 6 1 1 A 3 3 SER CA C 3 58.141 57.242 0.899 1 1 21 . 6 1 1 A 3 3 SER CB C 3 63.359 63.608 -0.249 1 1 22 . 6 1 1 A 3 3 SER N N 3 117.604 115.734 1.870 1 1 23 . 6 1 1 A 4 4 GLY H H 4 8.603 9.007 -0.404 1 1 24 . 6 1 1 A 4 4 GLY HA2 H 4 4.130 3.890 0.240 1 1 25 . 6 1 1 A 4 4 GLY HA3 H 4 4.076 3.891 0.185 1 1 26 . 6 1 1 A 4 4 GLY C C 4 174.283 173.038 1.245 1 1 27 . 6 1 1 A 4 4 GLY CA C 4 45.054 46.093 -1.039 1 1 28 . 6 1 1 A 4 4 GLY N N 4 111.842 115.681 -3.839 1 1 29 . 6 1 1 A 5 5 THR H H 5 8.140 7.784 0.356 1 1 30 . 6 1 1 A 5 5 THR HA H 5 4.371 4.869 -0.498 1 1 35 . 6 1 1 A 5 5 THR C C 5 174.827 174.602 0.225 1 1 36 . 6 1 1 A 5 5 THR CA C 5 61.515 60.845 0.670 1 1 37 . 6 1 1 A 5 5 THR CB C 5 69.683 72.875 -3.192 1 1 39 . 6 1 1 A 5 5 THR N N 5 112.188 113.160 -0.972 1 1 40 . 6 1 1 A 6 6 GLY H H 6 8.425 8.667 -0.242 1 1 41 . 6 1 1 A 6 6 GLY HA2 H 6 4.109 3.953 0.156 1 1 42 . 6 1 1 A 6 6 GLY HA3 H 6 3.875 3.956 -0.081 1 1 43 . 6 1 1 A 6 6 GLY C C 6 173.670 174.335 -0.665 1 1 44 . 6 1 1 A 6 6 GLY CA C 6 44.466 45.238 -0.772 1 1 45 . 6 1 1 A 6 6 GLY N N 6 110.955 113.248 -2.293 1 1 46 . 6 1 1 A 7 7 LEU H H 7 7.993 7.275 0.718 1 1 47 . 6 1 1 A 7 7 LEU HA H 7 4.503 4.135 0.368 1 1 53 . 6 1 1 A 7 7 LEU C C 7 177.284 176.785 0.499 1 1 54 . 6 1 1 A 7 7 LEU CA C 7 54.741 55.928 -1.187 1 1 55 . 6 1 1 A 7 7 LEU CB C 7 39.284 42.304 -3.020 1 1 58 . 6 1 1 A 7 7 LEU N N 7 121.268 121.360 -0.092 1 1 59 . 6 1 1 A 8 8 THR H H 8 10.385 8.682 1.703 1 1 60 . 6 1 1 A 8 8 THR HA H 8 4.521 4.345 0.176 1 1 65 . 6 1 1 A 8 8 THR C C 8 176.965 174.721 2.244 1 1 66 . 6 1 1 A 8 8 THR CA C 8 64.563 63.108 1.455 1 1 67 . 6 1 1 A 8 8 THR CB C 8 71.946 70.818 1.128 1 1 69 . 6 1 1 A 8 8 THR N N 8 113.472 119.411 -5.939 1 1 70 . 6 1 1 A 9 9 GLY H H 9 9.733 7.811 1.922 1 1 71 . 6 1 1 A 9 9 GLY HA2 H 9 4.391 3.059 1.332 1 1 72 . 6 1 1 A 9 9 GLY HA3 H 9 3.805 3.785 0.020 1 1 73 . 6 1 1 A 9 9 GLY C C 9 173.133 174.131 -0.998 1 1 74 . 6 1 1 A 9 9 GLY CA C 9 45.453 46.180 -0.727 1 1 75 . 6 1 1 A 9 9 GLY N N 9 114.948 109.005 5.943 1 1 76 . 6 1 1 A 10 10 ASN H H 10 7.664 7.715 -0.051 1 1 77 . 6 1 1 A 10 10 ASN HA H 10 4.906 4.604 0.302 1 1 82 . 6 1 1 A 10 10 ASN C C 10 173.098 173.468 -0.370 1 1 83 . 6 1 1 A 10 10 ASN CA C 10 51.504 51.248 0.256 1 1 84 . 6 1 1 A 10 10 ASN CB C 10 38.449 39.293 -0.844 1 1 85 . 6 1 1 A 10 10 ASN N N 10 120.991 118.487 2.504 1 1 87 . 6 1 1 A 11 11 TYR H H 11 8.892 8.037 0.855 1 1 88 . 6 1 1 A 11 11 TYR HA H 11 3.767 4.793 -1.026 1 1 91 . 6 1 1 A 11 11 TYR C C 11 177.871 176.338 1.533 1 1 92 . 6 1 1 A 11 11 TYR CA C 11 61.897 57.256 4.641 1 1 93 . 6 1 1 A 11 11 TYR CB C 11 38.099 39.839 -1.740 1 1 94 . 6 1 1 A 11 11 TYR N N 11 128.653 119.522 9.131 1 1 95 . 6 1 1 A 12 12 SER H H 12 8.729 8.806 -0.077 1 1 96 . 6 1 1 A 12 12 SER HA H 12 3.747 4.147 -0.400 1 1 99 . 6 1 1 A 12 12 SER C C 12 174.675 176.175 -1.500 1 1 100 . 6 1 1 A 12 12 SER CA C 12 62.371 62.299 0.072 1 1 101 . 6 1 1 A 12 12 SER CB C 12 61.600 62.996 -1.396 1 1 102 . 6 1 1 A 12 12 SER N N 12 119.446 117.048 2.398 1 1 103 . 6 1 1 A 13 13 GLN H H 13 7.645 8.116 -0.471 1 1 104 . 6 1 1 A 13 13 GLN HA H 13 3.955 3.999 -0.044 1 1 110 . 6 1 1 A 13 13 GLN C C 13 178.400 178.106 0.294 1 1 111 . 6 1 1 A 13 13 GLN CA C 13 58.083 58.706 -0.623 1 1 112 . 6 1 1 A 13 13 GLN CB C 13 28.328 28.348 -0.020 1 1 114 . 6 1 1 A 13 13 GLN N N 13 121.234 121.311 -0.077 1 1 116 . 6 1 1 A 14 14 ASP H H 14 9.314 8.064 1.250 1 1 117 . 6 1 1 A 14 14 ASP HA H 14 4.513 4.362 0.151 1 1 120 . 6 1 1 A 14 14 ASP C C 14 177.320 178.995 -1.675 1 1 121 . 6 1 1 A 14 14 ASP CA C 14 56.778 56.683 0.095 1 1 122 . 6 1 1 A 14 14 ASP CB C 14 40.380 40.488 -0.108 1 1 123 . 6 1 1 A 14 14 ASP N N 14 120.095 120.346 -0.251 1 1 124 . 6 1 1 A 15 15 THR H H 15 8.283 8.848 -0.565 1 1 125 . 6 1 1 A 15 15 THR HA H 15 3.637 4.192 -0.555 1 1 130 . 6 1 1 A 15 15 THR C C 15 174.455 177.026 -2.571 1 1 131 . 6 1 1 A 15 15 THR CA C 15 67.657 67.309 0.348 1 1 132 . 6 1 1 A 15 15 THR CB C 15 67.465 68.498 -1.033 1 1 134 . 6 1 1 A 15 15 THR N N 15 117.657 116.069 1.588 1 1 135 . 6 1 1 A 16 16 LEU H H 16 7.452 8.224 -0.772 1 1 136 . 6 1 1 A 16 16 LEU HA H 16 3.919 4.061 -0.142 1 1 140 . 6 1 1 A 16 16 LEU C C 16 179.666 179.216 0.450 1 1 141 . 6 1 1 A 16 16 LEU CA C 16 57.864 58.121 -0.257 1 1 142 . 6 1 1 A 16 16 LEU CB C 16 39.811 41.040 -1.229 1 1 144 . 6 1 1 A 16 16 LEU N N 16 120.034 118.426 1.608 1 1 145 . 6 1 1 A 17 17 THR H H 17 8.708 7.965 0.743 1 1 146 . 6 1 1 A 17 17 THR HA H 17 3.893 4.041 -0.148 1 1 151 . 6 1 1 A 17 17 THR C C 17 179.666 176.850 2.816 1 1 152 . 6 1 1 A 17 17 THR CA C 17 66.152 66.890 -0.738 1 1 153 . 6 1 1 A 17 17 THR CB C 17 67.921 68.632 -0.711 1 1 155 . 6 1 1 A 17 17 THR N N 17 121.382 115.998 5.384 1 1 156 . 6 1 1 A 18 18 VAL H H 18 8.194 8.103 0.091 1 1 157 . 6 1 1 A 18 18 VAL HA H 18 3.705 3.690 0.015 1 1 165 . 6 1 1 A 18 18 VAL C C 18 177.242 178.168 -0.926 1 1 166 . 6 1 1 A 18 18 VAL CA C 18 65.886 67.012 -1.126 1 1 167 . 6 1 1 A 18 18 VAL CB C 18 30.729 32.011 -1.282 1 1 170 . 6 1 1 A 18 18 VAL N N 18 123.227 121.912 1.315 1 1 171 . 6 1 1 A 19 19 ILE H H 19 7.933 8.291 -0.358 1 1 172 . 6 1 1 A 19 19 ILE HA H 19 2.633 3.703 -1.070 1 1 182 . 6 1 1 A 19 19 ILE C C 19 176.276 178.026 -1.750 1 1 183 . 6 1 1 A 19 19 ILE CA C 19 66.137 65.825 0.312 1 1 184 . 6 1 1 A 19 19 ILE CB C 19 37.782 37.798 -0.016 1 1 188 . 6 1 1 A 19 19 ILE N N 19 119.786 118.851 0.935 1 1 189 . 6 1 1 A 20 20 ALA H H 20 7.782 8.325 -0.543 1 1 190 . 6 1 1 A 20 20 ALA HA H 20 3.972 4.187 -0.215 1 1 194 . 6 1 1 A 20 20 ALA C C 20 180.867 179.995 0.872 1 1 195 . 6 1 1 A 20 20 ALA CA C 20 55.170 55.081 0.089 1 1 196 . 6 1 1 A 20 20 ALA CB C 20 17.282 18.446 -1.164 1 1 197 . 6 1 1 A 20 20 ALA N N 20 121.793 122.409 -0.616 1 1 198 . 6 1 1 A 21 21 THR H H 21 8.573 7.600 0.973 1 1 199 . 6 1 1 A 21 21 THR HA H 21 3.902 3.922 -0.020 1 1 204 . 6 1 1 A 21 21 THR C C 21 176.720 176.372 0.348 1 1 205 . 6 1 1 A 21 21 THR CA C 21 65.200 67.125 -1.925 1 1 206 . 6 1 1 A 21 21 THR CB C 21 68.092 68.471 -0.379 1 1 208 . 6 1 1 A 21 21 THR N N 21 118.393 114.759 3.634 1 1 209 . 6 1 1 A 22 22 LEU H H 22 8.583 8.322 0.261 1 1 210 . 6 1 1 A 22 22 LEU HA H 22 4.065 3.867 0.198 1 1 217 . 6 1 1 A 22 22 LEU C C 22 178.284 179.243 -0.959 1 1 218 . 6 1 1 A 22 22 LEU CA C 22 57.005 58.243 -1.238 1 1 219 . 6 1 1 A 22 22 LEU CB C 22 40.209 41.718 -1.509 1 1 223 . 6 1 1 A 22 22 LEU N N 22 122.517 120.260 2.257 1 1 224 . 6 1 1 A 23 23 ARG H H 23 8.858 7.896 0.962 1 1 225 . 6 1 1 A 23 23 ARG HA H 23 3.873 3.933 -0.060 1 1 230 . 6 1 1 A 23 23 ARG C C 23 178.503 179.061 -0.558 1 1 231 . 6 1 1 A 23 23 ARG CA C 23 60.362 59.163 1.199 1 1 232 . 6 1 1 A 23 23 ARG CB C 23 29.808 29.378 0.430 1 1 235 . 6 1 1 A 23 23 ARG N N 23 120.502 118.423 2.079 1 1 237 . 6 1 1 A 24 24 GLU H H 24 7.250 7.952 -0.702 1 1 238 . 6 1 1 A 24 24 GLU HA H 24 4.109 3.813 0.296 1 1 243 . 6 1 1 A 24 24 GLU CA C 24 58.312 58.969 -0.657 1 1 244 . 6 1 1 A 24 24 GLU CB C 24 29.024 29.190 -0.166 1 1 246 . 6 1 1 A 24 24 GLU N N 24 117.221 119.136 -1.915 1 1 247 . 6 1 1 A 25 25 ALA H H 25 8.223 7.718 0.505 1 1 248 . 6 1 1 A 25 25 ALA HA H 25 3.983 3.961 0.022 1 1 252 . 6 1 1 A 25 25 ALA C C 25 180.617 180.136 0.481 1 1 253 . 6 1 1 A 25 25 ALA CA C 25 55.203 54.861 0.342 1 1 254 . 6 1 1 A 25 25 ALA CB C 25 17.657 18.079 -0.422 1 1 255 . 6 1 1 A 25 25 ALA N N 25 121.823 121.725 0.098 1 1 256 . 6 1 1 A 26 26 ILE H H 26 8.552 7.353 1.199 1 1 257 . 6 1 1 A 26 26 ILE HA H 26 4.144 3.694 0.450 1 1 267 . 6 1 1 A 26 26 ILE C C 26 175.586 175.663 -0.077 1 1 268 . 6 1 1 A 26 26 ILE CA C 26 63.790 63.000 0.790 1 1 269 . 6 1 1 A 26 26 ILE CB C 26 37.496 37.773 -0.277 1 1 273 . 6 1 1 A 26 26 ILE N N 26 112.838 119.241 -6.403 1 1 274 . 6 1 1 A 27 27 ASP H H 27 7.175 7.540 -0.365 1 1 275 . 6 1 1 A 27 27 ASP HA H 27 4.934 4.742 0.192 1 1 278 . 6 1 1 A 27 27 ASP C C 27 175.602 174.311 1.291 1 1 279 . 6 1 1 A 27 27 ASP CA C 27 53.160 52.991 0.169 1 1 280 . 6 1 1 A 27 27 ASP CB C 27 41.754 41.189 0.565 1 1 281 . 6 1 1 A 27 27 ASP N N 27 120.840 121.789 -0.949 1 1 282 . 6 1 1 A 28 28 LEU H H 28 7.136 7.327 -0.191 1 1 283 . 6 1 1 A 28 28 LEU HA H 28 4.510 4.496 0.014 1 1 290 . 6 1 1 A 28 28 LEU CA C 28 53.379 53.073 0.306 1 1 291 . 6 1 1 A 28 28 LEU CB C 28 42.286 41.767 0.519 1 1 294 . 6 1 1 A 28 28 LEU N N 28 124.155 119.513 4.642 1 1 295 . 6 1 1 A 29 29 PRO HA H 29 4.552 4.513 0.039 1 1 301 . 6 1 1 A 29 29 PRO C C 29 177.414 177.053 0.361 1 1 302 . 6 1 1 A 29 29 PRO CA C 29 62.506 62.812 -0.306 1 1 303 . 6 1 1 A 29 29 PRO CB C 29 32.263 32.563 -0.300 1 1 305 . 6 1 1 A 30 30 GLN H H 30 8.935 8.583 0.352 1 1 306 . 6 1 1 A 30 30 GLN HA H 30 3.966 4.091 -0.125 1 1 311 . 6 1 1 A 30 30 GLN C C 30 175.595 176.681 -1.086 1 1 312 . 6 1 1 A 30 30 GLN CA C 30 58.036 58.220 -0.184 1 1 313 . 6 1 1 A 30 30 GLN CB C 30 28.116 28.451 -0.335 1 1 315 . 6 1 1 A 30 30 GLN N N 30 122.119 121.402 0.717 1 1 317 . 6 1 1 A 31 31 ASP H H 31 8.353 7.979 0.374 1 1 318 . 6 1 1 A 31 31 ASP HA H 31 4.682 4.648 0.034 1 1 321 . 6 1 1 A 31 31 ASP C C 31 175.518 175.722 -0.204 1 1 322 . 6 1 1 A 31 31 ASP CA C 31 52.178 54.736 -2.558 1 1 323 . 6 1 1 A 31 31 ASP CB C 31 39.270 41.345 -2.075 1 1 324 . 6 1 1 A 31 31 ASP N N 31 115.909 118.450 -2.541 1 1 325 . 6 1 1 A 32 32 ALA H H 32 7.467 7.590 -0.123 1 1 326 . 6 1 1 A 32 32 ALA HA H 32 4.564 4.796 -0.232 1 1 330 . 6 1 1 A 32 32 ALA CA C 32 50.496 49.836 0.660 1 1 331 . 6 1 1 A 32 32 ALA CB C 32 17.852 18.988 -1.136 1 1 332 . 6 1 1 A 32 32 ALA N N 32 124.893 121.853 3.040 1 1 333 . 6 1 1 A 33 33 PRO HA H 33 4.494 4.451 0.043 1 1 339 . 6 1 1 A 33 33 PRO C C 33 176.278 176.510 -0.232 1 1 340 . 6 1 1 A 33 33 PRO CA C 33 63.894 63.871 0.023 1 1 341 . 6 1 1 A 33 33 PRO CB C 33 31.354 30.951 0.403 1 1 344 . 6 1 1 A 34 34 ASN H H 34 8.577 8.598 -0.021 1 1 345 . 6 1 1 A 34 34 ASN HA H 34 5.041 5.108 -0.067 1 1 350 . 6 1 1 A 34 34 ASN C C 34 174.678 175.583 -0.905 1 1 351 . 6 1 1 A 34 34 ASN CA C 34 51.792 51.769 0.023 1 1 352 . 6 1 1 A 34 34 ASN CB C 34 36.334 38.517 -2.183 1 1 353 . 6 1 1 A 34 34 ASN N N 34 115.598 115.781 -0.183 1 1 355 . 6 1 1 A 35 35 ARG H H 35 7.401 8.217 -0.816 1 1 356 . 6 1 1 A 35 35 ARG HA H 35 3.726 3.999 -0.273 1 1 363 . 6 1 1 A 35 35 ARG C C 35 176.887 178.013 -1.126 1 1 364 . 6 1 1 A 35 35 ARG CA C 35 60.063 58.953 1.110 1 1 365 . 6 1 1 A 35 35 ARG CB C 35 29.571 29.681 -0.110 1 1 368 . 6 1 1 A 35 35 ARG N N 35 119.690 120.518 -0.828 1 1 370 . 6 1 1 A 36 36 GLN H H 36 8.780 7.884 0.896 1 1 371 . 6 1 1 A 36 36 GLN HA H 36 3.805 4.201 -0.396 1 1 377 . 6 1 1 A 36 36 GLN CA C 36 58.618 58.551 0.067 1 1 378 . 6 1 1 A 36 36 GLN CB C 36 27.595 28.382 -0.787 1 1 380 . 6 1 1 A 36 36 GLN N N 36 119.100 118.851 0.249 1 1 382 . 6 1 1 A 37 37 GLU H H 37 8.128 7.836 0.292 1 1 383 . 6 1 1 A 37 37 GLU HA H 37 4.137 4.050 0.087 1 1 387 . 6 1 1 A 37 37 GLU C C 37 179.222 179.435 -0.213 1 1 388 . 6 1 1 A 37 37 GLU CA C 37 59.336 59.209 0.127 1 1 389 . 6 1 1 A 37 37 GLU CB C 37 28.781 29.350 -0.569 1 1 391 . 6 1 1 A 37 37 GLU N N 37 120.485 120.656 -0.171 1 1 392 . 6 1 1 A 38 38 VAL H H 38 8.127 7.728 0.399 1 1 393 . 6 1 1 A 38 38 VAL HA H 38 3.708 3.615 0.093 1 1 401 . 6 1 1 A 38 38 VAL C C 38 178.246 177.952 0.294 1 1 402 . 6 1 1 A 38 38 VAL CA C 38 66.019 66.551 -0.532 1 1 403 . 6 1 1 A 38 38 VAL CB C 38 31.008 31.530 -0.522 1 1 406 . 6 1 1 A 38 38 VAL N N 38 121.937 120.544 1.393 1 1 407 . 6 1 1 A 39 39 GLN H H 39 8.324 7.721 0.603 1 1 408 . 6 1 1 A 39 39 GLN HA H 39 3.764 3.944 -0.180 1 1 415 . 6 1 1 A 39 39 GLN C C 39 177.642 177.852 -0.210 1 1 416 . 6 1 1 A 39 39 GLN CA C 39 59.019 58.953 0.066 1 1 417 . 6 1 1 A 39 39 GLN CB C 39 27.176 28.234 -1.058 1 1 419 . 6 1 1 A 39 39 GLN N N 39 120.203 120.214 -0.011 1 1 421 . 6 1 1 A 40 40 ASP H H 40 8.699 8.301 0.398 1 1 422 . 6 1 1 A 40 40 ASP HA H 40 4.391 4.336 0.055 1 1 425 . 6 1 1 A 40 40 ASP C C 40 179.726 178.558 1.168 1 1 426 . 6 1 1 A 40 40 ASP CA C 40 57.267 57.588 -0.321 1 1 427 . 6 1 1 A 40 40 ASP CB C 40 39.458 41.545 -2.087 1 1 428 . 6 1 1 A 40 40 ASP N N 40 121.604 119.838 1.766 1 1 429 . 6 1 1 A 41 41 THR H H 41 8.449 7.982 0.467 1 1 430 . 6 1 1 A 41 41 THR HA H 41 3.981 3.941 0.040 1 1 435 . 6 1 1 A 41 41 THR CA C 41 66.254 66.084 0.170 1 1 436 . 6 1 1 A 41 41 THR CB C 41 67.937 68.436 -0.499 1 1 437 . 6 1 1 A 41 41 THR N N 41 121.386 115.948 5.438 1 1 438 . 6 1 1 A 42 42 ALA H H 42 8.552 7.989 0.563 1 1 439 . 6 1 1 A 42 42 ALA HA H 42 3.876 3.909 -0.033 1 1 443 . 6 1 1 A 42 42 ALA C C 42 178.300 179.481 -1.181 1 1 444 . 6 1 1 A 42 42 ALA CA C 42 55.244 55.268 -0.024 1 1 445 . 6 1 1 A 42 42 ALA CB C 42 17.295 18.324 -1.029 1 1 446 . 6 1 1 A 42 42 ALA N N 42 126.245 123.391 2.854 1 1 447 . 6 1 1 A 43 43 ARG H H 43 8.553 8.170 0.383 1 1 448 . 6 1 1 A 43 43 ARG HA H 43 3.923 4.227 -0.304 1 1 451 . 6 1 1 A 43 43 ARG C C 43 178.522 179.343 -0.821 1 1 452 . 6 1 1 A 43 43 ARG CA C 43 59.680 59.954 -0.274 1 1 453 . 6 1 1 A 43 43 ARG CB C 43 29.887 30.278 -0.391 1 1 454 . 6 1 1 A 43 43 ARG N N 43 117.705 119.093 -1.388 1 1 455 . 6 1 1 A 44 44 GLY H H 44 8.049 8.159 -0.110 1 1 456 . 6 1 1 A 44 44 GLY HA2 H 44 4.066 3.801 0.265 1 1 457 . 6 1 1 A 44 44 GLY HA3 H 44 3.972 3.804 0.168 1 1 458 . 6 1 1 A 44 44 GLY CA C 44 46.710 47.425 -0.715 1 1 459 . 6 1 1 A 44 44 GLY N N 44 106.443 106.962 -0.519 1 1 460 . 6 1 1 A 45 45 GLN H H 45 8.305 7.658 0.647 1 1 461 . 6 1 1 A 45 45 GLN HA H 45 4.204 4.369 -0.165 1 1 466 . 6 1 1 A 45 45 GLN C C 45 177.942 178.894 -0.952 1 1 467 . 6 1 1 A 45 45 GLN CA C 45 59.930 58.514 1.416 1 1 468 . 6 1 1 A 45 45 GLN CB C 45 28.520 28.484 0.036 1 1 470 . 6 1 1 A 45 45 GLN N N 45 123.780 120.853 2.927 1 1 472 . 6 1 1 A 46 46 ILE H H 46 8.673 8.204 0.469 1 1 473 . 6 1 1 A 46 46 ILE HA H 46 3.594 3.712 -0.118 1 1 483 . 6 1 1 A 46 46 ILE C C 46 176.649 178.089 -1.440 1 1 484 . 6 1 1 A 46 46 ILE CA C 46 66.299 65.104 1.195 1 1 485 . 6 1 1 A 46 46 ILE CB C 46 37.762 36.907 0.855 1 1 489 . 6 1 1 A 46 46 ILE N N 46 120.050 121.291 -1.241 1 1 490 . 6 1 1 A 47 47 ASN H H 47 7.866 8.419 -0.553 1 1 491 . 6 1 1 A 47 47 ASN HA H 47 4.525 4.424 0.101 1 1 495 . 6 1 1 A 47 47 ASN C C 47 176.649 177.798 -1.149 1 1 496 . 6 1 1 A 47 47 ASN CA C 47 55.703 56.632 -0.929 1 1 497 . 6 1 1 A 47 47 ASN CB C 47 37.925 38.383 -0.458 1 1 498 . 6 1 1 A 47 47 ASN N N 47 116.444 119.490 -3.046 1 1 500 . 6 1 1 A 48 48 ASP H H 48 8.185 7.929 0.256 1 1 501 . 6 1 1 A 48 48 ASP HA H 48 4.460 4.414 0.046 1 1 504 . 6 1 1 A 48 48 ASP C C 48 176.285 178.436 -2.151 1 1 505 . 6 1 1 A 48 48 ASP CA C 48 56.635 57.400 -0.765 1 1 506 . 6 1 1 A 48 48 ASP CB C 48 41.593 40.919 0.674 1 1 507 . 6 1 1 A 48 48 ASP N N 48 121.725 118.439 3.286 1 1 508 . 6 1 1 A 49 49 TYR H H 49 8.756 8.698 0.058 1 1 509 . 6 1 1 A 49 49 TYR HA H 49 3.892 4.429 -0.537 1 1 512 . 6 1 1 A 49 49 TYR C C 49 176.432 177.028 -0.596 1 1 513 . 6 1 1 A 49 49 TYR CA C 49 62.617 61.317 1.300 1 1 514 . 6 1 1 A 49 49 TYR CB C 49 39.188 38.477 0.711 1 1 515 . 6 1 1 A 49 49 TYR N N 49 121.005 121.648 -0.643 1 1 516 . 6 1 1 A 50 50 ILE H H 50 8.481 8.663 -0.182 1 1 517 . 6 1 1 A 50 50 ILE HA H 50 3.901 4.122 -0.221 1 1 527 . 6 1 1 A 50 50 ILE C C 50 177.407 176.979 0.428 1 1 528 . 6 1 1 A 50 50 ILE CA C 50 63.893 63.745 0.148 1 1 529 . 6 1 1 A 50 50 ILE CB C 50 36.668 38.448 -1.780 1 1 533 . 6 1 1 A 50 50 ILE N N 50 117.237 119.899 -2.662 1 1 534 . 6 1 1 A 51 51 SER H H 51 7.870 8.063 -0.193 1 1 535 . 6 1 1 A 51 51 SER HA H 51 4.203 4.687 -0.484 1 1 538 . 6 1 1 A 51 51 SER C C 51 177.413 174.303 3.110 1 1 539 . 6 1 1 A 51 51 SER CA C 51 61.003 56.777 4.226 1 1 540 . 6 1 1 A 51 51 SER CB C 51 62.711 62.936 -0.225 1 1 541 . 6 1 1 A 51 51 SER N N 51 113.635 112.472 1.163 1 1 542 . 6 1 1 A 52 52 ARG H H 52 8.386 8.174 0.212 1 1 543 . 6 1 1 A 52 52 ARG HA H 52 3.816 4.442 -0.626 1 1 551 . 6 1 1 A 52 52 ARG C C 52 178.788 174.628 4.160 1 1 552 . 6 1 1 A 52 52 ARG CA C 52 58.343 57.322 1.021 1 1 553 . 6 1 1 A 52 52 ARG CB C 52 30.053 33.013 -2.960 1 1 556 . 6 1 1 A 52 52 ARG N N 52 120.787 118.682 2.105 1 1 558 . 6 1 1 A 53 53 TYR H H 53 7.428 8.624 -1.196 1 1 559 . 6 1 1 A 53 53 TYR HA H 53 4.667 4.637 0.030 1 1 562 . 6 1 1 A 53 53 TYR C C 53 174.743 174.945 -0.202 1 1 563 . 6 1 1 A 53 53 TYR CA C 53 57.922 56.373 1.549 1 1 564 . 6 1 1 A 53 53 TYR CB C 53 38.030 38.433 -0.403 1 1 565 . 6 1 1 A 53 53 TYR N N 53 115.269 118.980 -3.711 1 1 566 . 6 1 1 A 54 54 ARG H H 54 7.775 8.355 -0.580 1 1 567 . 6 1 1 A 54 54 ARG HA H 54 4.249 3.949 0.300 1 1 570 . 6 1 1 A 54 54 ARG C C 54 177.121 175.965 1.156 1 1 571 . 6 1 1 A 54 54 ARG CA C 54 58.720 56.840 1.880 1 1 572 . 6 1 1 A 54 54 ARG CB C 54 29.345 31.683 -2.338 1 1 573 . 6 1 1 A 54 54 ARG N N 54 120.518 127.083 -6.565 1 1 574 . 6 1 1 A 55 55 ARG H H 55 8.319 7.532 0.787 1 1 575 . 6 1 1 A 55 55 ARG HA H 55 4.249 4.404 -0.155 1 1 577 . 6 1 1 A 55 55 ARG C C 55 177.395 176.627 0.768 1 1 578 . 6 1 1 A 55 55 ARG CA C 55 56.766 55.000 1.766 1 1 579 . 6 1 1 A 55 55 ARG CB C 55 29.231 28.870 0.361 1 1 580 . 6 1 1 A 55 55 ARG N N 55 119.094 119.768 -0.674 1 1 581 . 6 1 1 A 56 56 LYS H H 56 8.062 8.244 -0.182 1 1 582 . 6 1 1 A 56 56 LYS HA H 56 4.069 4.353 -0.284 1 1 588 . 6 1 1 A 56 56 LYS C C 56 177.177 176.911 0.266 1 1 589 . 6 1 1 A 56 56 LYS CA C 56 56.740 56.142 0.598 1 1 590 . 6 1 1 A 56 56 LYS CB C 56 31.291 32.851 -1.560 1 1 594 . 6 1 1 A 56 56 LYS N N 56 121.271 123.763 -2.492 1 1 595 . 6 1 1 A 57 57 GLY H H 57 8.138 7.679 0.459 1 1 596 . 6 1 1 A 57 57 GLY HA2 H 57 4.055 4.042 0.013 1 1 597 . 6 1 1 A 57 57 GLY HA3 H 57 3.766 4.078 -0.312 1 1 598 . 6 1 1 A 57 57 GLY C C 57 174.196 174.224 -0.028 1 1 599 . 6 1 1 A 57 57 GLY CA C 57 45.336 45.021 0.315 1 1 600 . 6 1 1 A 57 57 GLY N N 57 108.747 108.595 0.152 1 1 601 . 6 1 1 A 58 58 ASP H H 58 7.937 7.870 0.067 1 1 602 . 6 1 1 A 58 58 ASP HA H 58 4.571 4.461 0.110 1 1 604 . 6 1 1 A 58 58 ASP CA C 58 54.548 53.896 0.652 1 1 605 . 6 1 1 A 58 58 ASP CB C 58 40.254 41.440 -1.186 1 1 606 . 6 1 1 A 58 58 ASP N N 58 121.456 120.793 0.663 1 1 607 . 6 1 1 A 59 59 ALA H H 59 8.150 8.411 -0.261 1 1 608 . 6 1 1 A 59 59 ALA HA H 59 4.178 4.446 -0.268 1 1 612 . 6 1 1 A 59 59 ALA C C 59 177.927 177.771 0.156 1 1 613 . 6 1 1 A 59 59 ALA CA C 59 52.751 51.406 1.345 1 1 614 . 6 1 1 A 59 59 ALA CB C 59 18.062 20.003 -1.941 1 1 615 . 6 1 1 A 59 59 ALA N N 59 123.316 127.502 -4.186 1 1 616 . 6 1 1 A 60 60 GLY H H 60 8.190 7.596 0.594 1 1 617 . 6 1 1 A 60 60 GLY HA2 H 60 3.954 3.941 0.013 1 1 618 . 6 1 1 A 60 60 GLY HA3 H 60 3.962 3.977 -0.015 1 1 619 . 6 1 1 A 60 60 GLY C C 60 174.572 175.421 -0.849 1 1 620 . 6 1 1 A 60 60 GLY CA C 60 45.301 46.696 -1.395 1 1 621 . 6 1 1 A 60 60 GLY N N 60 107.588 107.329 0.259 1 1 622 . 6 1 1 A 61 61 GLY H H 61 8.014 8.474 -0.460 1 1 623 . 6 1 1 A 61 61 GLY HA2 H 61 4.068 4.000 0.068 1 1 624 . 6 1 1 A 61 61 GLY HA3 H 61 3.882 4.004 -0.122 1 1 625 . 6 1 1 A 61 61 GLY C C 61 173.560 173.992 -0.432 1 1 626 . 6 1 1 A 61 61 GLY CA C 61 44.784 45.160 -0.376 1 1 627 . 6 1 1 A 61 61 GLY N N 61 108.839 104.910 3.929 1 1 628 . 6 1 1 A 62 62 LEU H H 62 8.038 7.559 0.479 1 1 629 . 6 1 1 A 62 62 LEU HA H 62 4.528 4.975 -0.447 1 1 636 . 6 1 1 A 62 62 LEU C C 62 177.058 176.428 0.630 1 1 637 . 6 1 1 A 62 62 LEU CA C 62 54.038 52.461 1.577 1 1 638 . 6 1 1 A 62 62 LEU CB C 62 42.254 45.520 -3.266 1 1 641 . 6 1 1 A 62 62 LEU N N 62 122.191 116.622 5.569 1 1 642 . 6 1 1 A 63 63 LYS H H 63 9.378 9.024 0.354 1 1 643 . 6 1 1 A 63 63 LYS HA H 63 4.223 4.586 -0.363 1 1 647 . 6 1 1 A 63 63 LYS C C 63 179.928 177.402 2.526 1 1 648 . 6 1 1 A 63 63 LYS CA C 63 58.665 56.425 2.240 1 1 649 . 6 1 1 A 63 63 LYS CB C 63 31.663 32.730 -1.067 1 1 651 . 6 1 1 A 63 63 LYS N N 63 129.582 120.599 8.983 1 1 652 . 6 1 1 A 64 64 SER H H 64 10.250 8.071 2.179 1 1 653 . 6 1 1 A 64 64 SER HA H 64 4.169 4.149 0.020 1 1 656 . 6 1 1 A 64 64 SER C C 64 175.569 176.084 -0.515 1 1 657 . 6 1 1 A 64 64 SER CA C 64 61.010 62.694 -1.684 1 1 658 . 6 1 1 A 64 64 SER N N 64 117.647 116.185 1.462 1 1 659 . 6 1 1 A 65 65 PHE H H 65 7.035 8.061 -1.026 1 1 660 . 6 1 1 A 65 65 PHE HA H 65 4.444 4.211 0.233 1 1 663 . 6 1 1 A 65 65 PHE C C 65 176.884 177.223 -0.339 1 1 664 . 6 1 1 A 65 65 PHE CA C 65 61.911 61.645 0.266 1 1 665 . 6 1 1 A 65 65 PHE CB C 65 38.861 39.280 -0.419 1 1 666 . 6 1 1 A 65 65 PHE N N 65 123.056 122.632 0.424 1 1 667 . 6 1 1 A 66 66 THR H H 66 8.475 8.137 0.338 1 1 668 . 6 1 1 A 66 66 THR HA H 66 3.932 2.912 1.020 1 1 673 . 6 1 1 A 66 66 THR C C 66 176.884 176.606 0.278 1 1 674 . 6 1 1 A 66 66 THR CA C 66 66.236 66.162 0.074 1 1 675 . 6 1 1 A 66 66 THR CB C 66 67.993 68.545 -0.552 1 1 677 . 6 1 1 A 66 66 THR N N 66 115.996 114.765 1.231 1 1 678 . 6 1 1 A 67 67 THR H H 67 8.100 7.563 0.537 1 1 679 . 6 1 1 A 67 67 THR HA H 67 3.979 4.127 -0.148 1 1 684 . 6 1 1 A 67 67 THR CA C 67 66.516 66.031 0.485 1 1 685 . 6 1 1 A 67 67 THR CB C 67 68.188 67.829 0.359 1 1 687 . 6 1 1 A 67 67 THR N N 67 120.365 114.021 6.344 1 1 688 . 6 1 1 A 68 68 MET H H 68 8.134 8.027 0.107 1 1 689 . 6 1 1 A 68 68 MET HA H 68 4.429 3.880 0.549 1 1 697 . 6 1 1 A 68 68 MET C C 68 177.682 178.782 -1.100 1 1 698 . 6 1 1 A 68 68 MET CA C 68 56.239 59.032 -2.793 1 1 699 . 6 1 1 A 68 68 MET CB C 68 30.516 32.386 -1.870 1 1 702 . 6 1 1 A 68 68 MET N N 68 120.545 120.036 0.509 1 1 703 . 6 1 1 A 69 69 GLN H H 69 9.139 7.114 2.025 1 1 704 . 6 1 1 A 69 69 GLN HA H 69 3.694 4.135 -0.441 1 1 711 . 6 1 1 A 69 69 GLN C C 69 177.433 178.425 -0.992 1 1 712 . 6 1 1 A 69 69 GLN CA C 69 59.779 58.223 1.556 1 1 713 . 6 1 1 A 69 69 GLN CB C 69 28.547 27.777 0.770 1 1 715 . 6 1 1 A 69 69 GLN N N 69 120.358 118.236 2.122 1 1 717 . 6 1 1 A 70 70 THR H H 70 7.809 7.631 0.178 1 1 718 . 6 1 1 A 70 70 THR HA H 70 3.979 3.814 0.165 1 1 723 . 6 1 1 A 70 70 THR C C 70 176.394 176.212 0.182 1 1 724 . 6 1 1 A 70 70 THR CA C 70 66.028 66.566 -0.538 1 1 725 . 6 1 1 A 70 70 THR CB C 70 68.198 68.689 -0.491 1 1 727 . 6 1 1 A 70 70 THR N N 70 116.198 117.781 -1.583 1 1 728 . 6 1 1 A 71 71 ALA H H 71 7.859 8.385 -0.526 1 1 729 . 6 1 1 A 71 71 ALA HA H 71 3.994 4.403 -0.409 1 1 733 . 6 1 1 A 71 71 ALA CA C 71 54.902 55.053 -0.151 1 1 734 . 6 1 1 A 71 71 ALA CB C 71 17.926 17.990 -0.064 1 1 735 . 6 1 1 A 71 71 ALA N N 71 126.667 124.177 2.490 1 1 736 . 6 1 1 A 72 72 LEU H H 72 9.261 7.900 1.361 1 1 737 . 6 1 1 A 72 72 LEU HA H 72 3.915 3.927 -0.012 1 1 743 . 6 1 1 A 72 72 LEU C C 72 179.219 179.024 0.195 1 1 744 . 6 1 1 A 72 72 LEU CA C 72 58.406 57.953 0.453 1 1 745 . 6 1 1 A 72 72 LEU CB C 72 38.744 41.643 -2.899 1 1 747 . 6 1 1 A 72 72 LEU N N 72 119.657 120.079 -0.422 1 1 748 . 6 1 1 A 73 73 ASN H H 73 8.542 7.999 0.543 1 1 749 . 6 1 1 A 73 73 ASN HA H 73 4.606 4.480 0.126 1 1 754 . 6 1 1 A 73 73 ASN CA C 73 55.711 55.841 -0.130 1 1 755 . 6 1 1 A 73 73 ASN CB C 73 37.398 37.578 -0.180 1 1 756 . 6 1 1 A 73 73 ASN N N 73 118.851 118.029 0.822 1 1 758 . 6 1 1 A 74 74 SER H H 74 7.849 7.753 0.096 1 1 759 . 6 1 1 A 74 74 SER HA H 74 4.379 4.204 0.175 1 1 762 . 6 1 1 A 74 74 SER C C 74 175.881 177.476 -1.595 1 1 763 . 6 1 1 A 74 74 SER CA C 74 61.405 61.547 -0.142 1 1 764 . 6 1 1 A 74 74 SER N N 74 118.042 115.608 2.434 1 1 765 . 6 1 1 A 75 75 LEU H H 75 8.084 8.667 -0.583 1 1 766 . 6 1 1 A 75 75 LEU HA H 75 4.181 3.948 0.233 1 1 773 . 6 1 1 A 75 75 LEU C C 75 176.899 179.127 -2.228 1 1 774 . 6 1 1 A 75 75 LEU CA C 75 56.746 58.116 -1.370 1 1 775 . 6 1 1 A 75 75 LEU CB C 75 41.896 41.558 0.338 1 1 777 . 6 1 1 A 75 75 LEU N N 75 124.099 121.918 2.181 1 1 778 . 6 1 1 A 76 76 ALA H H 76 8.695 8.254 0.441 1 1 779 . 6 1 1 A 76 76 ALA HA H 76 4.134 4.209 -0.075 1 1 783 . 6 1 1 A 76 76 ALA C C 76 180.159 180.422 -0.263 1 1 784 . 6 1 1 A 76 76 ALA CA C 76 55.315 55.612 -0.297 1 1 785 . 6 1 1 A 76 76 ALA CB C 76 17.624 18.106 -0.482 1 1 786 . 6 1 1 A 76 76 ALA N N 76 121.934 120.503 1.431 1 1 787 . 6 1 1 A 77 77 GLY H H 77 8.198 8.217 -0.019 1 1 788 . 6 1 1 A 77 77 GLY HA2 H 77 3.917 3.678 0.239 1 1 789 . 6 1 1 A 77 77 GLY HA3 H 77 3.925 3.699 0.226 1 1 790 . 6 1 1 A 77 77 GLY C C 77 175.177 175.627 -0.450 1 1 791 . 6 1 1 A 77 77 GLY CA C 77 46.066 47.244 -1.178 1 1 792 . 6 1 1 A 77 77 GLY N N 77 105.613 107.123 -1.510 1 1 793 . 6 1 1 A 78 78 TYR H H 78 7.973 8.001 -0.028 1 1 794 . 6 1 1 A 78 78 TYR HA H 78 4.326 4.091 0.235 1 1 797 . 6 1 1 A 78 78 TYR C C 78 176.705 177.344 -0.639 1 1 798 . 6 1 1 A 78 78 TYR CA C 78 61.280 61.100 0.180 1 1 799 . 6 1 1 A 78 78 TYR CB C 78 37.737 38.554 -0.817 1 1 800 . 6 1 1 A 78 78 TYR N N 78 123.680 123.333 0.347 1 1 801 . 6 1 1 A 79 79 TYR H H 79 8.347 8.372 -0.025 1 1 802 . 6 1 1 A 79 79 TYR HA H 79 4.750 3.724 1.026 1 1 805 . 6 1 1 A 79 79 TYR C C 79 178.135 177.152 0.983 1 1 806 . 6 1 1 A 79 79 TYR CA C 79 57.389 61.590 -4.201 1 1 807 . 6 1 1 A 79 79 TYR CB C 79 36.796 39.056 -2.260 1 1 808 . 6 1 1 A 79 79 TYR N N 79 119.870 120.691 -0.821 1 1 809 . 6 1 1 A 80 80 THR H H 80 8.180 8.084 0.096 1 1 810 . 6 1 1 A 80 80 THR HA H 80 4.208 3.557 0.651 1 1 815 . 6 1 1 A 80 80 THR C C 80 175.302 174.354 0.948 1 1 816 . 6 1 1 A 80 80 THR CA C 80 64.276 61.749 2.527 1 1 817 . 6 1 1 A 80 80 THR CB C 80 69.098 68.050 1.048 1 1 819 . 6 1 1 A 80 80 THR N N 80 114.967 111.786 3.181 1 1 820 . 6 1 1 A 81 81 SER H H 81 8.027 8.009 0.018 1 1 821 . 6 1 1 A 81 81 SER HA H 81 4.214 4.680 -0.466 1 1 824 . 6 1 1 A 81 81 SER C C 81 174.305 174.051 0.254 1 1 825 . 6 1 1 A 81 81 SER CA C 81 60.578 58.618 1.960 1 1 826 . 6 1 1 A 81 81 SER CB C 81 63.385 66.040 -2.655 1 1 827 . 6 1 1 A 81 81 SER N N 81 116.664 116.962 -0.298 1 1 828 . 6 1 1 A 82 82 TYR H H 82 8.396 7.510 0.886 1 1 829 . 6 1 1 A 82 82 TYR HA H 82 4.612 4.019 0.593 1 1 832 . 6 1 1 A 82 82 TYR C C 82 176.069 175.446 0.623 1 1 833 . 6 1 1 A 82 82 TYR CA C 82 57.676 59.032 -1.356 1 1 834 . 6 1 1 A 82 82 TYR CB C 82 38.160 37.268 0.892 1 1 835 . 6 1 1 A 82 82 TYR N N 82 119.325 120.754 -1.429 1 1 836 . 6 1 1 A 83 83 GLY H H 83 7.982 7.724 0.258 1 1 837 . 6 1 1 A 83 83 GLY HA2 H 83 4.021 4.063 -0.042 1 1 838 . 6 1 1 A 83 83 GLY HA3 H 83 3.877 4.063 -0.186 1 1 839 . 6 1 1 A 83 83 GLY C C 83 178.820 173.401 5.419 1 1 840 . 6 1 1 A 83 83 GLY CA C 83 46.170 44.556 1.614 1 1 841 . 6 1 1 A 83 83 GLY N N 83 111.287 109.053 2.234 1 1 842 . 6 1 1 A 84 84 ALA H H 84 8.505 8.138 0.367 1 1 843 . 6 1 1 A 84 84 ALA HA H 84 4.619 4.756 -0.137 1 1 847 . 6 1 1 A 84 84 ALA C C 84 176.933 178.126 -1.193 1 1 848 . 6 1 1 A 84 84 ALA CA C 84 51.514 50.823 0.691 1 1 849 . 6 1 1 A 84 84 ALA CB C 84 18.109 19.674 -1.565 1 1 850 . 6 1 1 A 84 84 ALA N N 84 126.408 121.721 4.687 1 1 851 . 6 1 1 A 85 85 ARG H H 85 8.057 8.413 -0.356 1 1 852 . 6 1 1 A 85 85 ARG HA H 85 4.696 4.089 0.607 1 1 854 . 6 1 1 A 85 85 ARG CA C 85 53.887 61.335 -7.448 1 1 855 . 6 1 1 A 85 85 ARG CB C 85 30.500 28.173 2.327 1 1 856 . 6 1 1 A 85 85 ARG N N 85 123.060 117.313 5.747 1 1 857 . 6 1 1 A 86 86 PRO HA H 86 4.426 4.531 -0.105 1 1 862 . 6 1 1 A 86 86 PRO CA C 86 62.541 62.678 -0.137 1 1 863 . 6 1 1 A 86 86 PRO CB C 86 31.477 31.709 -0.232 1 1 864 . 6 1 1 A 87 87 ILE H H 87 8.449 8.538 -0.089 1 1 865 . 6 1 1 A 87 87 ILE HA H 87 3.821 4.586 -0.765 1 1 875 . 6 1 1 A 87 87 ILE CA C 87 58.300 58.503 -0.203 1 1 876 . 6 1 1 A 87 87 ILE CB C 87 37.630 39.645 -2.015 1 1 880 . 6 1 1 A 87 87 ILE N N 87 125.558 124.127 1.431 1 1 881 . 6 1 1 A 88 88 PRO HA H 88 4.425 4.513 -0.088 1 1 884 . 6 1 1 A 88 88 PRO C C 88 177.001 177.926 -0.925 1 1 885 . 6 1 1 A 88 88 PRO CA C 88 62.298 63.388 -1.090 1 1 886 . 6 1 1 A 88 88 PRO CB C 88 32.070 32.521 -0.451 1 1 887 . 6 1 1 A 89 89 GLU H H 89 8.861 8.647 0.214 1 1 888 . 6 1 1 A 89 89 GLU HA H 89 3.871 3.962 -0.091 1 1 891 . 6 1 1 A 89 89 GLU C C 89 177.756 178.676 -0.920 1 1 892 . 6 1 1 A 89 89 GLU CA C 89 59.711 59.697 0.014 1 1 893 . 6 1 1 A 89 89 GLU CB C 89 29.119 29.437 -0.318 1 1 894 . 6 1 1 A 89 89 GLU N N 89 125.518 122.690 2.828 1 1 895 . 6 1 1 A 90 90 LYS H H 90 8.827 7.901 0.926 1 1 896 . 6 1 1 A 90 90 LYS HA H 90 3.969 4.119 -0.150 1 1 899 . 6 1 1 A 90 90 LYS C C 90 178.672 179.077 -0.405 1 1 900 . 6 1 1 A 90 90 LYS CA C 90 59.423 59.197 0.226 1 1 901 . 6 1 1 A 90 90 LYS CB C 90 31.820 32.486 -0.666 1 1 902 . 6 1 1 A 90 90 LYS N N 90 117.281 120.331 -3.050 1 1 903 . 6 1 1 A 91 91 LEU H H 91 6.857 8.089 -1.232 1 1 904 . 6 1 1 A 91 91 LEU HA H 91 4.212 4.062 0.150 1 1 911 . 6 1 1 A 91 91 LEU CA C 91 56.390 57.390 -1.000 1 1 912 . 6 1 1 A 91 91 LEU CB C 91 40.627 41.071 -0.444 1 1 915 . 6 1 1 A 91 91 LEU N N 91 120.818 119.430 1.388 1 1 916 . 6 1 1 A 92 92 LYS H H 92 8.156 8.692 -0.536 1 1 917 . 6 1 1 A 92 92 LYS HA H 92 3.558 3.979 -0.421 1 1 925 . 6 1 1 A 92 92 LYS C C 92 177.480 178.741 -1.261 1 1 926 . 6 1 1 A 92 92 LYS CA C 92 60.613 59.426 1.187 1 1 927 . 6 1 1 A 92 92 LYS CB C 92 31.812 31.932 -0.120 1 1 931 . 6 1 1 A 92 92 LYS N N 92 120.663 121.171 -0.508 1 1 932 . 6 1 1 A 93 93 LYS H H 93 8.156 8.168 -0.012 1 1 933 . 6 1 1 A 93 93 LYS HA H 93 4.032 4.013 0.019 1 1 936 . 6 1 1 A 93 93 LYS C C 93 178.757 179.206 -0.449 1 1 937 . 6 1 1 A 93 93 LYS CA C 93 58.546 59.038 -0.492 1 1 938 . 6 1 1 A 93 93 LYS CB C 93 31.726 31.940 -0.214 1 1 939 . 6 1 1 A 93 93 LYS N N 93 116.478 119.076 -2.598 1 1 940 . 6 1 1 A 94 94 ARG H H 94 7.287 8.152 -0.865 1 1 941 . 6 1 1 A 94 94 ARG HA H 94 4.032 4.071 -0.039 1 1 948 . 6 1 1 A 94 94 ARG C C 94 177.872 178.569 -0.697 1 1 949 . 6 1 1 A 94 94 ARG CA C 94 58.639 59.245 -0.606 1 1 950 . 6 1 1 A 94 94 ARG CB C 94 29.490 30.569 -1.079 1 1 953 . 6 1 1 A 94 94 ARG N N 94 120.980 119.157 1.823 1 1 955 . 6 1 1 A 95 95 LEU H H 95 8.365 8.701 -0.336 1 1 956 . 6 1 1 A 95 95 LEU HA H 95 3.597 4.086 -0.489 1 1 960 . 6 1 1 A 95 95 LEU C C 95 177.342 179.248 -1.906 1 1 961 . 6 1 1 A 95 95 LEU CA C 95 57.009 56.989 0.020 1 1 962 . 6 1 1 A 95 95 LEU CB C 95 40.718 41.260 -0.542 1 1 964 . 6 1 1 A 95 95 LEU N N 95 119.611 119.254 0.357 1 1 965 . 6 1 1 A 96 96 GLN H H 96 8.126 8.399 -0.273 1 1 966 . 6 1 1 A 96 96 GLN HA H 96 4.033 4.194 -0.161 1 1 972 . 6 1 1 A 96 96 GLN C C 96 179.502 178.292 1.210 1 1 973 . 6 1 1 A 96 96 GLN CA C 96 58.743 58.721 0.022 1 1 974 . 6 1 1 A 96 96 GLN CB C 96 27.315 28.652 -1.337 1 1 976 . 6 1 1 A 96 96 GLN N N 96 115.986 119.752 -3.766 1 1 978 . 6 1 1 A 97 97 LEU H H 97 7.574 8.403 -0.829 1 1 979 . 6 1 1 A 97 97 LEU HA H 97 4.176 4.423 -0.247 1 1 983 . 6 1 1 A 97 97 LEU CA C 97 57.816 57.450 0.366 1 1 984 . 6 1 1 A 97 97 LEU CB C 97 41.107 41.841 -0.734 1 1 985 . 6 1 1 A 97 97 LEU N N 97 121.721 121.379 0.342 1 1 986 . 6 1 1 A 98 98 GLU H H 98 8.180 8.614 -0.434 1 1 987 . 6 1 1 A 98 98 GLU HA H 98 3.970 4.002 -0.032 1 1 989 . 6 1 1 A 98 98 GLU C C 98 178.852 178.923 -0.071 1 1 990 . 6 1 1 A 98 98 GLU CA C 98 59.074 59.482 -0.408 1 1 991 . 6 1 1 A 98 98 GLU CB C 98 28.376 29.377 -1.001 1 1 992 . 6 1 1 A 98 98 GLU N N 98 122.418 119.620 2.798 1 1 993 . 6 1 1 A 99 99 PHE H H 99 8.995 8.384 0.611 1 1 994 . 6 1 1 A 99 99 PHE HA H 99 4.560 4.074 0.486 1 1 997 . 6 1 1 A 99 99 PHE C C 99 178.050 177.886 0.164 1 1 998 . 6 1 1 A 99 99 PHE CA C 99 57.595 61.364 -3.769 1 1 999 . 6 1 1 A 99 99 PHE CB C 99 36.788 39.415 -2.627 1 1 1000 . 6 1 1 A 99 99 PHE N N 99 118.943 122.409 -3.466 1 1 1001 . 6 1 1 A 100 100 THR H H 100 7.985 8.592 -0.607 1 1 1002 . 6 1 1 A 100 100 THR HA H 100 4.097 3.547 0.550 1 1 1007 . 6 1 1 A 100 100 THR CA C 100 66.567 65.557 1.010 1 1 1008 . 6 1 1 A 100 100 THR CB C 100 68.200 68.229 -0.029 1 1 1010 . 6 1 1 A 100 100 THR N N 100 117.633 112.511 5.122 1 1 1011 . 6 1 1 A 101 101 GLN H H 101 8.160 8.414 -0.254 1 1 1012 . 6 1 1 A 101 101 GLN HA H 101 4.017 4.009 0.008 1 1 1018 . 6 1 1 A 101 101 GLN C C 101 179.034 177.891 1.143 1 1 1019 . 6 1 1 A 101 101 GLN CA C 101 58.649 58.182 0.467 1 1 1020 . 6 1 1 A 101 101 GLN CB C 101 27.541 28.828 -1.287 1 1 1022 . 6 1 1 A 101 101 GLN N N 101 122.138 121.651 0.487 1 1 1024 . 6 1 1 A 102 102 ALA H H 102 8.768 8.551 0.217 1 1 1025 . 6 1 1 A 102 102 ALA HA H 102 4.036 4.114 -0.078 1 1 1029 . 6 1 1 A 102 102 ALA C C 102 178.466 178.840 -0.374 1 1 1030 . 6 1 1 A 102 102 ALA CA C 102 55.525 55.262 0.263 1 1 1031 . 6 1 1 A 102 102 ALA CB C 102 18.046 18.720 -0.674 1 1 1032 . 6 1 1 A 102 102 ALA N N 102 124.541 122.351 2.190 1 1 1033 . 6 1 1 A 103 103 GLU H H 103 8.552 8.559 -0.007 1 1 1034 . 6 1 1 A 103 103 GLU HA H 103 3.680 4.019 -0.339 1 1 1039 . 6 1 1 A 103 103 GLU C C 103 178.447 178.905 -0.458 1 1 1040 . 6 1 1 A 103 103 GLU CA C 103 59.802 59.379 0.423 1 1 1041 . 6 1 1 A 103 103 GLU CB C 103 29.672 29.014 0.658 1 1 1043 . 6 1 1 A 103 103 GLU N N 103 120.048 118.533 1.515 1 1 1044 . 6 1 1 A 104 104 ARG H H 104 8.242 8.341 -0.099 1 1 1045 . 6 1 1 A 104 104 ARG HA H 104 4.214 4.014 0.200 1 1 1048 . 6 1 1 A 104 104 ARG C C 104 178.958 178.671 0.287 1 1 1049 . 6 1 1 A 104 104 ARG CA C 104 58.135 59.522 -1.387 1 1 1050 . 6 1 1 A 104 104 ARG CB C 104 29.742 30.434 -0.692 1 1 1051 . 6 1 1 A 104 104 ARG N N 104 119.448 119.212 0.236 1 1 1052 . 6 1 1 A 105 105 SER H H 105 8.087 8.117 -0.030 1 1 1053 . 6 1 1 A 105 105 SER HA H 105 4.290 4.156 0.134 1 1 1056 . 6 1 1 A 105 105 SER CA C 105 61.917 61.322 0.595 1 1 1057 . 6 1 1 A 105 105 SER N N 105 117.329 114.584 2.745 1 1 1058 . 6 1 1 A 106 106 ILE H H 106 8.403 7.694 0.709 1 1 1059 . 6 1 1 A 106 106 ILE HA H 106 4.113 3.641 0.472 1 1 1069 . 6 1 1 A 106 106 ILE CA C 106 61.487 65.120 -3.633 1 1 1070 . 6 1 1 A 106 106 ILE CB C 106 35.600 37.495 -1.895 1 1 1074 . 6 1 1 A 106 106 ILE N N 106 124.394 122.592 1.802 1 1 1075 . 6 1 1 A 107 107 GLU H H 107 8.187 7.816 0.371 1 1 1076 . 6 1 1 A 107 107 GLU HA H 107 4.126 4.020 0.106 1 1 1079 . 6 1 1 A 107 107 GLU C C 107 177.494 176.155 1.339 1 1 1080 . 6 1 1 A 107 107 GLU CA C 107 58.849 59.467 -0.618 1 1 1081 . 6 1 1 A 107 107 GLU CB C 107 29.052 29.817 -0.765 1 1 1082 . 6 1 1 A 107 107 GLU N N 107 123.223 120.925 2.298 1 1 1083 . 6 1 1 A 108 108 ARG H H 108 7.651 8.019 -0.368 1 1 1084 . 6 1 1 A 108 108 ARG HA H 108 4.431 3.976 0.455 1 1 1090 . 6 1 1 A 108 108 ARG C C 108 175.927 176.139 -0.212 1 1 1091 . 6 1 1 A 108 108 ARG CA C 108 55.584 57.273 -1.689 1 1 1092 . 6 1 1 A 108 108 ARG CB C 108 30.806 27.599 3.207 1 1 1094 . 6 1 1 A 108 108 ARG N N 108 117.394 117.551 -0.157 1 1 1095 . 6 1 1 A 109 109 GLY H H 109 8.190 8.039 0.151 1 1 1096 . 6 1 1 A 109 109 GLY HA2 H 109 4.141 3.948 0.193 1 1 1097 . 6 1 1 A 109 109 GLY HA3 H 109 4.060 3.950 0.110 1 1 1098 . 6 1 1 A 109 109 GLY C C 109 174.031 174.696 -0.665 1 1 1099 . 6 1 1 A 109 109 GLY CA C 109 45.823 45.162 0.661 1 1 1100 . 6 1 1 A 109 109 GLY N N 109 110.712 106.845 3.867 1 1 7 . 7 1 1 A 2 2 ASP H H 2 8.644 8.139 0.505 1 1 8 . 7 1 1 A 2 2 ASP HA H 2 4.373 4.581 -0.208 1 1 11 . 7 1 1 A 2 2 ASP C C 2 178.938 176.275 2.663 1 1 12 . 7 1 1 A 2 2 ASP CA C 2 53.794 54.480 -0.686 1 1 13 . 7 1 1 A 2 2 ASP CB C 2 41.025 41.140 -0.115 1 1 14 . 7 1 1 A 2 2 ASP N N 2 122.106 120.713 1.393 1 1 15 . 7 1 1 A 3 3 SER H H 3 8.508 8.646 -0.138 1 1 16 . 7 1 1 A 3 3 SER HA H 3 4.331 4.279 0.052 1 1 19 . 7 1 1 A 3 3 SER C C 3 174.777 174.661 0.116 1 1 20 . 7 1 1 A 3 3 SER CA C 3 58.141 60.027 -1.886 1 1 21 . 7 1 1 A 3 3 SER CB C 3 63.359 63.392 -0.033 1 1 22 . 7 1 1 A 3 3 SER N N 3 117.604 119.644 -2.040 1 1 23 . 7 1 1 A 4 4 GLY H H 4 8.603 8.566 0.037 1 1 24 . 7 1 1 A 4 4 GLY HA2 H 4 4.130 4.146 -0.016 1 1 25 . 7 1 1 A 4 4 GLY HA3 H 4 4.076 4.150 -0.074 1 1 26 . 7 1 1 A 4 4 GLY C C 4 174.283 172.413 1.870 1 1 27 . 7 1 1 A 4 4 GLY CA C 4 45.054 45.355 -0.301 1 1 28 . 7 1 1 A 4 4 GLY N N 4 111.842 110.295 1.547 1 1 29 . 7 1 1 A 5 5 THR H H 5 8.140 8.841 -0.701 1 1 30 . 7 1 1 A 5 5 THR HA H 5 4.371 4.743 -0.372 1 1 35 . 7 1 1 A 5 5 THR C C 5 174.827 173.163 1.664 1 1 36 . 7 1 1 A 5 5 THR CA C 5 61.515 61.113 0.402 1 1 37 . 7 1 1 A 5 5 THR CB C 5 69.683 71.406 -1.723 1 1 39 . 7 1 1 A 5 5 THR N N 5 112.188 117.545 -5.357 1 1 40 . 7 1 1 A 6 6 GLY H H 6 8.425 8.424 0.001 1 1 41 . 7 1 1 A 6 6 GLY HA2 H 6 4.109 4.081 0.028 1 1 42 . 7 1 1 A 6 6 GLY HA3 H 6 3.875 4.094 -0.219 1 1 43 . 7 1 1 A 6 6 GLY C C 6 173.670 175.112 -1.442 1 1 44 . 7 1 1 A 6 6 GLY CA C 6 44.466 45.156 -0.690 1 1 45 . 7 1 1 A 6 6 GLY N N 6 110.955 110.199 0.756 1 1 46 . 7 1 1 A 7 7 LEU H H 7 7.993 8.335 -0.342 1 1 47 . 7 1 1 A 7 7 LEU HA H 7 4.503 3.914 0.589 1 1 53 . 7 1 1 A 7 7 LEU C C 7 177.284 177.363 -0.079 1 1 54 . 7 1 1 A 7 7 LEU CA C 7 54.741 57.802 -3.061 1 1 55 . 7 1 1 A 7 7 LEU CB C 7 39.284 41.854 -2.570 1 1 58 . 7 1 1 A 7 7 LEU N N 7 121.268 120.128 1.140 1 1 59 . 7 1 1 A 8 8 THR H H 8 10.385 7.122 3.263 1 1 60 . 7 1 1 A 8 8 THR HA H 8 4.521 4.298 0.223 1 1 65 . 7 1 1 A 8 8 THR C C 8 176.965 175.192 1.773 1 1 66 . 7 1 1 A 8 8 THR CA C 8 64.563 61.760 2.803 1 1 67 . 7 1 1 A 8 8 THR CB C 8 71.946 70.447 1.499 1 1 69 . 7 1 1 A 8 8 THR N N 8 113.472 108.162 5.310 1 1 70 . 7 1 1 A 9 9 GLY H H 9 9.733 7.636 2.097 1 1 71 . 7 1 1 A 9 9 GLY HA2 H 9 4.391 3.492 0.899 1 1 72 . 7 1 1 A 9 9 GLY HA3 H 9 3.805 3.804 0.001 1 1 73 . 7 1 1 A 9 9 GLY C C 9 173.133 173.934 -0.801 1 1 74 . 7 1 1 A 9 9 GLY CA C 9 45.453 45.351 0.102 1 1 75 . 7 1 1 A 9 9 GLY N N 9 114.948 111.367 3.581 1 1 76 . 7 1 1 A 10 10 ASN H H 10 7.664 7.671 -0.007 1 1 77 . 7 1 1 A 10 10 ASN HA H 10 4.906 4.895 0.011 1 1 82 . 7 1 1 A 10 10 ASN C C 10 173.098 174.213 -1.115 1 1 83 . 7 1 1 A 10 10 ASN CA C 10 51.504 51.637 -0.133 1 1 84 . 7 1 1 A 10 10 ASN CB C 10 38.449 40.129 -1.680 1 1 85 . 7 1 1 A 10 10 ASN N N 10 120.991 118.624 2.367 1 1 87 . 7 1 1 A 11 11 TYR H H 11 8.892 8.358 0.534 1 1 88 . 7 1 1 A 11 11 TYR HA H 11 3.767 5.235 -1.468 1 1 91 . 7 1 1 A 11 11 TYR C C 11 177.871 176.541 1.330 1 1 92 . 7 1 1 A 11 11 TYR CA C 11 61.897 57.916 3.981 1 1 93 . 7 1 1 A 11 11 TYR CB C 11 38.099 39.933 -1.834 1 1 94 . 7 1 1 A 11 11 TYR N N 11 128.653 118.837 9.816 1 1 95 . 7 1 1 A 12 12 SER H H 12 8.729 9.081 -0.352 1 1 96 . 7 1 1 A 12 12 SER HA H 12 3.747 4.217 -0.470 1 1 99 . 7 1 1 A 12 12 SER C C 12 174.675 176.409 -1.734 1 1 100 . 7 1 1 A 12 12 SER CA C 12 62.371 62.079 0.292 1 1 101 . 7 1 1 A 12 12 SER CB C 12 61.600 62.941 -1.341 1 1 102 . 7 1 1 A 12 12 SER N N 12 119.446 117.887 1.559 1 1 103 . 7 1 1 A 13 13 GLN H H 13 7.645 8.219 -0.574 1 1 104 . 7 1 1 A 13 13 GLN HA H 13 3.955 4.053 -0.098 1 1 110 . 7 1 1 A 13 13 GLN C C 13 178.400 178.308 0.092 1 1 111 . 7 1 1 A 13 13 GLN CA C 13 58.083 59.164 -1.081 1 1 112 . 7 1 1 A 13 13 GLN CB C 13 28.328 28.262 0.066 1 1 114 . 7 1 1 A 13 13 GLN N N 13 121.234 121.244 -0.010 1 1 116 . 7 1 1 A 14 14 ASP H H 14 9.314 8.070 1.244 1 1 117 . 7 1 1 A 14 14 ASP HA H 14 4.513 4.439 0.074 1 1 120 . 7 1 1 A 14 14 ASP C C 14 177.320 179.151 -1.831 1 1 121 . 7 1 1 A 14 14 ASP CA C 14 56.778 56.812 -0.034 1 1 122 . 7 1 1 A 14 14 ASP CB C 14 40.380 40.580 -0.200 1 1 123 . 7 1 1 A 14 14 ASP N N 14 120.095 119.909 0.186 1 1 124 . 7 1 1 A 15 15 THR H H 15 8.283 8.215 0.068 1 1 125 . 7 1 1 A 15 15 THR HA H 15 3.637 4.283 -0.646 1 1 130 . 7 1 1 A 15 15 THR C C 15 174.455 177.209 -2.754 1 1 131 . 7 1 1 A 15 15 THR CA C 15 67.657 67.473 0.184 1 1 132 . 7 1 1 A 15 15 THR CB C 15 67.465 68.655 -1.190 1 1 134 . 7 1 1 A 15 15 THR N N 15 117.657 116.345 1.312 1 1 135 . 7 1 1 A 16 16 LEU H H 16 7.452 8.211 -0.759 1 1 136 . 7 1 1 A 16 16 LEU HA H 16 3.919 4.031 -0.112 1 1 140 . 7 1 1 A 16 16 LEU C C 16 179.666 178.920 0.746 1 1 141 . 7 1 1 A 16 16 LEU CA C 16 57.864 57.999 -0.135 1 1 142 . 7 1 1 A 16 16 LEU CB C 16 39.811 41.077 -1.266 1 1 144 . 7 1 1 A 16 16 LEU N N 16 120.034 118.041 1.993 1 1 145 . 7 1 1 A 17 17 THR H H 17 8.708 7.920 0.788 1 1 146 . 7 1 1 A 17 17 THR HA H 17 3.893 3.998 -0.105 1 1 151 . 7 1 1 A 17 17 THR C C 17 179.666 176.614 3.052 1 1 152 . 7 1 1 A 17 17 THR CA C 17 66.152 66.849 -0.697 1 1 153 . 7 1 1 A 17 17 THR CB C 17 67.921 68.788 -0.867 1 1 155 . 7 1 1 A 17 17 THR N N 17 121.382 115.193 6.189 1 1 156 . 7 1 1 A 18 18 VAL H H 18 8.194 8.050 0.144 1 1 157 . 7 1 1 A 18 18 VAL HA H 18 3.705 3.841 -0.136 1 1 165 . 7 1 1 A 18 18 VAL C C 18 177.242 177.443 -0.201 1 1 166 . 7 1 1 A 18 18 VAL CA C 18 65.886 65.228 0.658 1 1 167 . 7 1 1 A 18 18 VAL CB C 18 30.729 31.196 -0.467 1 1 170 . 7 1 1 A 18 18 VAL N N 18 123.227 120.209 3.018 1 1 171 . 7 1 1 A 19 19 ILE H H 19 7.933 8.173 -0.240 1 1 172 . 7 1 1 A 19 19 ILE HA H 19 2.633 3.691 -1.058 1 1 182 . 7 1 1 A 19 19 ILE C C 19 176.276 178.058 -1.782 1 1 183 . 7 1 1 A 19 19 ILE CA C 19 66.137 64.933 1.204 1 1 184 . 7 1 1 A 19 19 ILE CB C 19 37.782 36.859 0.923 1 1 188 . 7 1 1 A 19 19 ILE N N 19 119.786 121.433 -1.647 1 1 189 . 7 1 1 A 20 20 ALA H H 20 7.782 8.304 -0.522 1 1 190 . 7 1 1 A 20 20 ALA HA H 20 3.972 4.111 -0.139 1 1 194 . 7 1 1 A 20 20 ALA C C 20 180.867 179.774 1.093 1 1 195 . 7 1 1 A 20 20 ALA CA C 20 55.170 55.348 -0.178 1 1 196 . 7 1 1 A 20 20 ALA CB C 20 17.282 18.559 -1.277 1 1 197 . 7 1 1 A 20 20 ALA N N 20 121.793 124.117 -2.324 1 1 198 . 7 1 1 A 21 21 THR H H 21 8.573 7.728 0.845 1 1 199 . 7 1 1 A 21 21 THR HA H 21 3.902 3.942 -0.040 1 1 204 . 7 1 1 A 21 21 THR C C 21 176.720 176.850 -0.130 1 1 205 . 7 1 1 A 21 21 THR CA C 21 65.200 66.646 -1.446 1 1 206 . 7 1 1 A 21 21 THR CB C 21 68.092 68.103 -0.011 1 1 208 . 7 1 1 A 21 21 THR N N 21 118.393 113.271 5.122 1 1 209 . 7 1 1 A 22 22 LEU H H 22 8.583 7.758 0.825 1 1 210 . 7 1 1 A 22 22 LEU HA H 22 4.065 3.976 0.089 1 1 217 . 7 1 1 A 22 22 LEU C C 22 178.284 179.353 -1.069 1 1 218 . 7 1 1 A 22 22 LEU CA C 22 57.005 57.659 -0.654 1 1 219 . 7 1 1 A 22 22 LEU CB C 22 40.209 41.669 -1.460 1 1 223 . 7 1 1 A 22 22 LEU N N 22 122.517 121.945 0.572 1 1 224 . 7 1 1 A 23 23 ARG H H 23 8.858 8.659 0.199 1 1 225 . 7 1 1 A 23 23 ARG HA H 23 3.873 4.131 -0.258 1 1 230 . 7 1 1 A 23 23 ARG C C 23 178.503 179.216 -0.713 1 1 231 . 7 1 1 A 23 23 ARG CA C 23 60.362 59.234 1.128 1 1 232 . 7 1 1 A 23 23 ARG CB C 23 29.808 29.551 0.257 1 1 235 . 7 1 1 A 23 23 ARG N N 23 120.502 118.645 1.857 1 1 237 . 7 1 1 A 24 24 GLU H H 24 7.250 8.729 -1.479 1 1 238 . 7 1 1 A 24 24 GLU HA H 24 4.109 4.122 -0.013 1 1 243 . 7 1 1 A 24 24 GLU CA C 24 58.312 58.892 -0.580 1 1 244 . 7 1 1 A 24 24 GLU CB C 24 29.024 29.049 -0.025 1 1 246 . 7 1 1 A 24 24 GLU N N 24 117.221 119.537 -2.316 1 1 247 . 7 1 1 A 25 25 ALA H H 25 8.223 8.093 0.130 1 1 248 . 7 1 1 A 25 25 ALA HA H 25 3.983 4.007 -0.024 1 1 252 . 7 1 1 A 25 25 ALA C C 25 180.617 179.454 1.163 1 1 253 . 7 1 1 A 25 25 ALA CA C 25 55.203 55.121 0.082 1 1 254 . 7 1 1 A 25 25 ALA CB C 25 17.657 18.678 -1.021 1 1 255 . 7 1 1 A 25 25 ALA N N 25 121.823 121.683 0.140 1 1 256 . 7 1 1 A 26 26 ILE H H 26 8.552 7.948 0.604 1 1 257 . 7 1 1 A 26 26 ILE HA H 26 4.144 3.849 0.295 1 1 267 . 7 1 1 A 26 26 ILE C C 26 175.586 176.865 -1.279 1 1 268 . 7 1 1 A 26 26 ILE CA C 26 63.790 63.126 0.664 1 1 269 . 7 1 1 A 26 26 ILE CB C 26 37.496 37.932 -0.436 1 1 273 . 7 1 1 A 26 26 ILE N N 26 112.838 118.733 -5.895 1 1 274 . 7 1 1 A 27 27 ASP H H 27 7.175 7.433 -0.258 1 1 275 . 7 1 1 A 27 27 ASP HA H 27 4.934 4.732 0.202 1 1 278 . 7 1 1 A 27 27 ASP C C 27 175.602 175.909 -0.307 1 1 279 . 7 1 1 A 27 27 ASP CA C 27 53.160 53.563 -0.403 1 1 280 . 7 1 1 A 27 27 ASP CB C 27 41.754 41.011 0.743 1 1 281 . 7 1 1 A 27 27 ASP N N 27 120.840 119.505 1.335 1 1 282 . 7 1 1 A 28 28 LEU H H 28 7.136 7.287 -0.151 1 1 283 . 7 1 1 A 28 28 LEU HA H 28 4.510 4.361 0.149 1 1 290 . 7 1 1 A 28 28 LEU CA C 28 53.379 53.722 -0.343 1 1 291 . 7 1 1 A 28 28 LEU CB C 28 42.286 41.169 1.117 1 1 294 . 7 1 1 A 28 28 LEU N N 28 124.155 122.634 1.521 1 1 295 . 7 1 1 A 29 29 PRO HA H 29 4.552 4.505 0.047 1 1 301 . 7 1 1 A 29 29 PRO C C 29 177.414 177.009 0.405 1 1 302 . 7 1 1 A 29 29 PRO CA C 29 62.506 62.778 -0.272 1 1 303 . 7 1 1 A 29 29 PRO CB C 29 32.263 32.644 -0.381 1 1 305 . 7 1 1 A 30 30 GLN H H 30 8.935 8.549 0.386 1 1 306 . 7 1 1 A 30 30 GLN HA H 30 3.966 4.076 -0.110 1 1 311 . 7 1 1 A 30 30 GLN C C 30 175.595 176.628 -1.033 1 1 312 . 7 1 1 A 30 30 GLN CA C 30 58.036 58.374 -0.338 1 1 313 . 7 1 1 A 30 30 GLN CB C 30 28.116 28.511 -0.395 1 1 315 . 7 1 1 A 30 30 GLN N N 30 122.119 121.472 0.647 1 1 317 . 7 1 1 A 31 31 ASP H H 31 8.353 7.980 0.373 1 1 318 . 7 1 1 A 31 31 ASP HA H 31 4.682 4.524 0.158 1 1 321 . 7 1 1 A 31 31 ASP C C 31 175.518 176.039 -0.521 1 1 322 . 7 1 1 A 31 31 ASP CA C 31 52.178 55.147 -2.969 1 1 323 . 7 1 1 A 31 31 ASP CB C 31 39.270 41.334 -2.064 1 1 324 . 7 1 1 A 31 31 ASP N N 31 115.909 118.356 -2.447 1 1 325 . 7 1 1 A 32 32 ALA H H 32 7.467 8.418 -0.951 1 1 326 . 7 1 1 A 32 32 ALA HA H 32 4.564 4.787 -0.223 1 1 330 . 7 1 1 A 32 32 ALA CA C 32 50.496 49.789 0.707 1 1 331 . 7 1 1 A 32 32 ALA CB C 32 17.852 19.026 -1.174 1 1 332 . 7 1 1 A 32 32 ALA N N 32 124.893 122.218 2.675 1 1 333 . 7 1 1 A 33 33 PRO HA H 33 4.494 4.459 0.035 1 1 339 . 7 1 1 A 33 33 PRO C C 33 176.278 176.029 0.249 1 1 340 . 7 1 1 A 33 33 PRO CA C 33 63.894 63.547 0.347 1 1 341 . 7 1 1 A 33 33 PRO CB C 33 31.354 31.109 0.245 1 1 344 . 7 1 1 A 34 34 ASN H H 34 8.577 9.038 -0.461 1 1 345 . 7 1 1 A 34 34 ASN HA H 34 5.041 5.174 -0.133 1 1 350 . 7 1 1 A 34 34 ASN C C 34 174.678 175.656 -0.978 1 1 351 . 7 1 1 A 34 34 ASN CA C 34 51.792 52.670 -0.878 1 1 352 . 7 1 1 A 34 34 ASN CB C 34 36.334 39.385 -3.051 1 1 353 . 7 1 1 A 34 34 ASN N N 34 115.598 118.153 -2.555 1 1 355 . 7 1 1 A 35 35 ARG H H 35 7.401 8.178 -0.777 1 1 356 . 7 1 1 A 35 35 ARG HA H 35 3.726 4.026 -0.300 1 1 363 . 7 1 1 A 35 35 ARG C C 35 176.887 177.919 -1.032 1 1 364 . 7 1 1 A 35 35 ARG CA C 35 60.063 58.939 1.124 1 1 365 . 7 1 1 A 35 35 ARG CB C 35 29.571 29.712 -0.141 1 1 368 . 7 1 1 A 35 35 ARG N N 35 119.690 119.252 0.438 1 1 370 . 7 1 1 A 36 36 GLN H H 36 8.780 7.900 0.880 1 1 371 . 7 1 1 A 36 36 GLN HA H 36 3.805 3.649 0.156 1 1 377 . 7 1 1 A 36 36 GLN CA C 36 58.618 59.026 -0.408 1 1 378 . 7 1 1 A 36 36 GLN CB C 36 27.595 28.630 -1.035 1 1 380 . 7 1 1 A 36 36 GLN N N 36 119.100 119.462 -0.362 1 1 382 . 7 1 1 A 37 37 GLU H H 37 8.128 7.957 0.171 1 1 383 . 7 1 1 A 37 37 GLU HA H 37 4.137 4.070 0.067 1 1 387 . 7 1 1 A 37 37 GLU C C 37 179.222 179.245 -0.023 1 1 388 . 7 1 1 A 37 37 GLU CA C 37 59.336 58.832 0.504 1 1 389 . 7 1 1 A 37 37 GLU CB C 37 28.781 29.466 -0.685 1 1 391 . 7 1 1 A 37 37 GLU N N 37 120.485 120.403 0.082 1 1 392 . 7 1 1 A 38 38 VAL H H 38 8.127 8.908 -0.781 1 1 393 . 7 1 1 A 38 38 VAL HA H 38 3.708 3.558 0.150 1 1 401 . 7 1 1 A 38 38 VAL C C 38 178.246 178.016 0.230 1 1 402 . 7 1 1 A 38 38 VAL CA C 38 66.019 66.680 -0.661 1 1 403 . 7 1 1 A 38 38 VAL CB C 38 31.008 31.463 -0.455 1 1 406 . 7 1 1 A 38 38 VAL N N 38 121.937 120.442 1.495 1 1 407 . 7 1 1 A 39 39 GLN H H 39 8.324 7.750 0.574 1 1 408 . 7 1 1 A 39 39 GLN HA H 39 3.764 3.886 -0.122 1 1 415 . 7 1 1 A 39 39 GLN C C 39 177.642 177.665 -0.023 1 1 416 . 7 1 1 A 39 39 GLN CA C 39 59.019 58.696 0.323 1 1 417 . 7 1 1 A 39 39 GLN CB C 39 27.176 28.437 -1.261 1 1 419 . 7 1 1 A 39 39 GLN N N 39 120.203 119.959 0.244 1 1 421 . 7 1 1 A 40 40 ASP H H 40 8.699 8.290 0.409 1 1 422 . 7 1 1 A 40 40 ASP HA H 40 4.391 4.321 0.070 1 1 425 . 7 1 1 A 40 40 ASP C C 40 179.726 178.573 1.153 1 1 426 . 7 1 1 A 40 40 ASP CA C 40 57.267 57.539 -0.272 1 1 427 . 7 1 1 A 40 40 ASP CB C 40 39.458 41.534 -2.076 1 1 428 . 7 1 1 A 40 40 ASP N N 40 121.604 119.661 1.943 1 1 429 . 7 1 1 A 41 41 THR H H 41 8.449 7.965 0.484 1 1 430 . 7 1 1 A 41 41 THR HA H 41 3.981 3.971 0.010 1 1 435 . 7 1 1 A 41 41 THR CA C 41 66.254 65.993 0.261 1 1 436 . 7 1 1 A 41 41 THR CB C 41 67.937 68.572 -0.635 1 1 437 . 7 1 1 A 41 41 THR N N 41 121.386 116.148 5.238 1 1 438 . 7 1 1 A 42 42 ALA H H 42 8.552 7.919 0.633 1 1 439 . 7 1 1 A 42 42 ALA HA H 42 3.876 3.998 -0.122 1 1 443 . 7 1 1 A 42 42 ALA C C 42 178.300 179.719 -1.419 1 1 444 . 7 1 1 A 42 42 ALA CA C 42 55.244 55.012 0.232 1 1 445 . 7 1 1 A 42 42 ALA CB C 42 17.295 18.179 -0.884 1 1 446 . 7 1 1 A 42 42 ALA N N 42 126.245 123.401 2.844 1 1 447 . 7 1 1 A 43 43 ARG H H 43 8.553 8.045 0.508 1 1 448 . 7 1 1 A 43 43 ARG HA H 43 3.923 4.164 -0.241 1 1 451 . 7 1 1 A 43 43 ARG C C 43 178.522 179.742 -1.220 1 1 452 . 7 1 1 A 43 43 ARG CA C 43 59.680 59.907 -0.227 1 1 453 . 7 1 1 A 43 43 ARG CB C 43 29.887 30.194 -0.307 1 1 454 . 7 1 1 A 43 43 ARG N N 43 117.705 119.449 -1.744 1 1 455 . 7 1 1 A 44 44 GLY H H 44 8.049 8.027 0.022 1 1 456 . 7 1 1 A 44 44 GLY HA2 H 44 4.066 3.809 0.257 1 1 457 . 7 1 1 A 44 44 GLY HA3 H 44 3.972 3.813 0.159 1 1 458 . 7 1 1 A 44 44 GLY CA C 44 46.710 47.522 -0.812 1 1 459 . 7 1 1 A 44 44 GLY N N 44 106.443 107.015 -0.572 1 1 460 . 7 1 1 A 45 45 GLN H H 45 8.305 7.422 0.883 1 1 461 . 7 1 1 A 45 45 GLN HA H 45 4.204 4.078 0.126 1 1 466 . 7 1 1 A 45 45 GLN C C 45 177.942 178.804 -0.862 1 1 467 . 7 1 1 A 45 45 GLN CA C 45 59.930 58.516 1.414 1 1 468 . 7 1 1 A 45 45 GLN CB C 45 28.520 28.401 0.119 1 1 470 . 7 1 1 A 45 45 GLN N N 45 123.780 120.878 2.902 1 1 472 . 7 1 1 A 46 46 ILE H H 46 8.673 7.852 0.821 1 1 473 . 7 1 1 A 46 46 ILE HA H 46 3.594 3.696 -0.102 1 1 483 . 7 1 1 A 46 46 ILE C C 46 176.649 178.021 -1.372 1 1 484 . 7 1 1 A 46 46 ILE CA C 46 66.299 65.514 0.785 1 1 485 . 7 1 1 A 46 46 ILE CB C 46 37.762 38.255 -0.493 1 1 489 . 7 1 1 A 46 46 ILE N N 46 120.050 121.077 -1.027 1 1 490 . 7 1 1 A 47 47 ASN H H 47 7.866 8.679 -0.813 1 1 491 . 7 1 1 A 47 47 ASN HA H 47 4.525 4.483 0.042 1 1 495 . 7 1 1 A 47 47 ASN C C 47 176.649 178.140 -1.491 1 1 496 . 7 1 1 A 47 47 ASN CA C 47 55.703 56.610 -0.907 1 1 497 . 7 1 1 A 47 47 ASN CB C 47 37.925 38.232 -0.307 1 1 498 . 7 1 1 A 47 47 ASN N N 47 116.444 118.466 -2.022 1 1 500 . 7 1 1 A 48 48 ASP H H 48 8.185 8.153 0.032 1 1 501 . 7 1 1 A 48 48 ASP HA H 48 4.460 4.724 -0.264 1 1 504 . 7 1 1 A 48 48 ASP C C 48 176.285 178.319 -2.034 1 1 505 . 7 1 1 A 48 48 ASP CA C 48 56.635 57.198 -0.563 1 1 506 . 7 1 1 A 48 48 ASP CB C 48 41.593 41.183 0.410 1 1 507 . 7 1 1 A 48 48 ASP N N 48 121.725 119.855 1.870 1 1 508 . 7 1 1 A 49 49 TYR H H 49 8.756 9.295 -0.539 1 1 509 . 7 1 1 A 49 49 TYR HA H 49 3.892 4.391 -0.499 1 1 512 . 7 1 1 A 49 49 TYR C C 49 176.432 177.112 -0.680 1 1 513 . 7 1 1 A 49 49 TYR CA C 49 62.617 61.551 1.066 1 1 514 . 7 1 1 A 49 49 TYR CB C 49 39.188 38.892 0.296 1 1 515 . 7 1 1 A 49 49 TYR N N 49 121.005 121.751 -0.746 1 1 516 . 7 1 1 A 50 50 ILE H H 50 8.481 8.814 -0.333 1 1 517 . 7 1 1 A 50 50 ILE HA H 50 3.901 3.985 -0.084 1 1 527 . 7 1 1 A 50 50 ILE C C 50 177.407 178.011 -0.604 1 1 528 . 7 1 1 A 50 50 ILE CA C 50 63.893 63.847 0.046 1 1 529 . 7 1 1 A 50 50 ILE CB C 50 36.668 36.920 -0.252 1 1 533 . 7 1 1 A 50 50 ILE N N 50 117.237 120.146 -2.909 1 1 534 . 7 1 1 A 51 51 SER H H 51 7.870 7.940 -0.070 1 1 535 . 7 1 1 A 51 51 SER HA H 51 4.203 4.240 -0.037 1 1 538 . 7 1 1 A 51 51 SER C C 51 177.413 175.781 1.632 1 1 539 . 7 1 1 A 51 51 SER CA C 51 61.003 61.583 -0.580 1 1 540 . 7 1 1 A 51 51 SER CB C 51 62.711 62.514 0.197 1 1 541 . 7 1 1 A 51 51 SER N N 51 113.635 115.935 -2.300 1 1 542 . 7 1 1 A 52 52 ARG H H 52 8.386 7.306 1.080 1 1 543 . 7 1 1 A 52 52 ARG HA H 52 3.816 4.559 -0.743 1 1 551 . 7 1 1 A 52 52 ARG C C 52 178.788 175.465 3.323 1 1 552 . 7 1 1 A 52 52 ARG CA C 52 58.343 56.381 1.962 1 1 553 . 7 1 1 A 52 52 ARG CB C 52 30.053 32.177 -2.124 1 1 556 . 7 1 1 A 52 52 ARG N N 52 120.787 117.486 3.301 1 1 558 . 7 1 1 A 53 53 TYR H H 53 7.428 7.546 -0.118 1 1 559 . 7 1 1 A 53 53 TYR HA H 53 4.667 4.593 0.074 1 1 562 . 7 1 1 A 53 53 TYR C C 53 174.743 175.459 -0.716 1 1 563 . 7 1 1 A 53 53 TYR CA C 53 57.922 55.943 1.979 1 1 564 . 7 1 1 A 53 53 TYR CB C 53 38.030 37.746 0.284 1 1 565 . 7 1 1 A 53 53 TYR N N 53 115.269 120.700 -5.431 1 1 566 . 7 1 1 A 54 54 ARG H H 54 7.775 7.672 0.103 1 1 567 . 7 1 1 A 54 54 ARG HA H 54 4.249 4.325 -0.076 1 1 570 . 7 1 1 A 54 54 ARG C C 54 177.121 176.031 1.090 1 1 571 . 7 1 1 A 54 54 ARG CA C 54 58.720 58.336 0.384 1 1 572 . 7 1 1 A 54 54 ARG CB C 54 29.345 30.745 -1.400 1 1 573 . 7 1 1 A 54 54 ARG N N 54 120.518 123.961 -3.443 1 1 574 . 7 1 1 A 55 55 ARG H H 55 8.319 7.784 0.535 1 1 575 . 7 1 1 A 55 55 ARG HA H 55 4.249 3.768 0.481 1 1 577 . 7 1 1 A 55 55 ARG C C 55 177.395 175.279 2.116 1 1 578 . 7 1 1 A 55 55 ARG CA C 55 56.766 56.614 0.152 1 1 579 . 7 1 1 A 55 55 ARG CB C 55 29.231 28.413 0.818 1 1 580 . 7 1 1 A 55 55 ARG N N 55 119.094 118.964 0.130 1 1 581 . 7 1 1 A 56 56 LYS H H 56 8.062 7.958 0.104 1 1 582 . 7 1 1 A 56 56 LYS HA H 56 4.069 4.487 -0.418 1 1 588 . 7 1 1 A 56 56 LYS C C 56 177.177 175.912 1.265 1 1 589 . 7 1 1 A 56 56 LYS CA C 56 56.740 54.924 1.816 1 1 590 . 7 1 1 A 56 56 LYS CB C 56 31.291 34.958 -3.667 1 1 594 . 7 1 1 A 56 56 LYS N N 56 121.271 125.410 -4.139 1 1 595 . 7 1 1 A 57 57 GLY H H 57 8.138 8.302 -0.164 1 1 596 . 7 1 1 A 57 57 GLY HA2 H 57 4.055 4.047 0.008 1 1 597 . 7 1 1 A 57 57 GLY HA3 H 57 3.766 4.052 -0.286 1 1 598 . 7 1 1 A 57 57 GLY C C 57 174.196 173.061 1.135 1 1 599 . 7 1 1 A 57 57 GLY CA C 57 45.336 45.876 -0.540 1 1 600 . 7 1 1 A 57 57 GLY N N 57 108.747 113.625 -4.878 1 1 601 . 7 1 1 A 58 58 ASP H H 58 7.937 7.770 0.167 1 1 602 . 7 1 1 A 58 58 ASP HA H 58 4.571 4.697 -0.126 1 1 604 . 7 1 1 A 58 58 ASP CA C 58 54.548 52.717 1.831 1 1 605 . 7 1 1 A 58 58 ASP CB C 58 40.254 44.265 -4.011 1 1 606 . 7 1 1 A 58 58 ASP N N 58 121.456 119.632 1.824 1 1 607 . 7 1 1 A 59 59 ALA H H 59 8.150 9.139 -0.989 1 1 608 . 7 1 1 A 59 59 ALA HA H 59 4.178 4.056 0.122 1 1 612 . 7 1 1 A 59 59 ALA C C 59 177.927 177.456 0.471 1 1 613 . 7 1 1 A 59 59 ALA CA C 59 52.751 53.346 -0.595 1 1 614 . 7 1 1 A 59 59 ALA CB C 59 18.062 17.805 0.257 1 1 615 . 7 1 1 A 59 59 ALA N N 59 123.316 120.606 2.710 1 1 616 . 7 1 1 A 60 60 GLY H H 60 8.190 8.645 -0.455 1 1 617 . 7 1 1 A 60 60 GLY HA2 H 60 3.954 3.845 0.109 1 1 618 . 7 1 1 A 60 60 GLY HA3 H 60 3.962 3.848 0.114 1 1 619 . 7 1 1 A 60 60 GLY C C 60 174.572 174.615 -0.043 1 1 620 . 7 1 1 A 60 60 GLY CA C 60 45.301 46.345 -1.044 1 1 621 . 7 1 1 A 60 60 GLY N N 60 107.588 103.043 4.545 1 1 622 . 7 1 1 A 61 61 GLY H H 61 8.014 8.688 -0.674 1 1 623 . 7 1 1 A 61 61 GLY HA2 H 61 4.068 4.095 -0.027 1 1 624 . 7 1 1 A 61 61 GLY HA3 H 61 3.882 4.103 -0.221 1 1 625 . 7 1 1 A 61 61 GLY C C 61 173.560 173.225 0.335 1 1 626 . 7 1 1 A 61 61 GLY CA C 61 44.784 44.922 -0.138 1 1 627 . 7 1 1 A 61 61 GLY N N 61 108.839 107.345 1.494 1 1 628 . 7 1 1 A 62 62 LEU H H 62 8.038 8.657 -0.619 1 1 629 . 7 1 1 A 62 62 LEU HA H 62 4.528 4.298 0.230 1 1 636 . 7 1 1 A 62 62 LEU C C 62 177.058 176.633 0.425 1 1 637 . 7 1 1 A 62 62 LEU CA C 62 54.038 55.594 -1.556 1 1 638 . 7 1 1 A 62 62 LEU CB C 62 42.254 42.076 0.178 1 1 641 . 7 1 1 A 62 62 LEU N N 62 122.191 125.262 -3.071 1 1 642 . 7 1 1 A 63 63 LYS H H 63 9.378 8.851 0.527 1 1 643 . 7 1 1 A 63 63 LYS HA H 63 4.223 4.623 -0.400 1 1 647 . 7 1 1 A 63 63 LYS C C 63 179.928 177.915 2.013 1 1 648 . 7 1 1 A 63 63 LYS CA C 63 58.665 57.149 1.516 1 1 649 . 7 1 1 A 63 63 LYS CB C 63 31.663 35.127 -3.464 1 1 651 . 7 1 1 A 63 63 LYS N N 63 129.582 123.240 6.342 1 1 652 . 7 1 1 A 64 64 SER H H 64 10.250 8.303 1.947 1 1 653 . 7 1 1 A 64 64 SER HA H 64 4.169 4.352 -0.183 1 1 656 . 7 1 1 A 64 64 SER C C 64 175.569 176.309 -0.740 1 1 657 . 7 1 1 A 64 64 SER CA C 64 61.010 61.451 -0.441 1 1 658 . 7 1 1 A 64 64 SER N N 64 117.647 117.200 0.447 1 1 659 . 7 1 1 A 65 65 PHE H H 65 7.035 7.911 -0.876 1 1 660 . 7 1 1 A 65 65 PHE HA H 65 4.444 4.180 0.264 1 1 663 . 7 1 1 A 65 65 PHE C C 65 176.884 176.880 0.004 1 1 664 . 7 1 1 A 65 65 PHE CA C 65 61.911 61.195 0.716 1 1 665 . 7 1 1 A 65 65 PHE CB C 65 38.861 39.289 -0.428 1 1 666 . 7 1 1 A 65 65 PHE N N 65 123.056 123.566 -0.510 1 1 667 . 7 1 1 A 66 66 THR H H 66 8.475 8.372 0.103 1 1 668 . 7 1 1 A 66 66 THR HA H 66 3.932 3.965 -0.033 1 1 673 . 7 1 1 A 66 66 THR C C 66 176.884 176.244 0.640 1 1 674 . 7 1 1 A 66 66 THR CA C 66 66.236 66.341 -0.105 1 1 675 . 7 1 1 A 66 66 THR CB C 66 67.993 68.376 -0.383 1 1 677 . 7 1 1 A 66 66 THR N N 66 115.996 115.613 0.383 1 1 678 . 7 1 1 A 67 67 THR H H 67 8.100 7.912 0.188 1 1 679 . 7 1 1 A 67 67 THR HA H 67 3.979 3.816 0.163 1 1 684 . 7 1 1 A 67 67 THR CA C 67 66.516 66.001 0.515 1 1 685 . 7 1 1 A 67 67 THR CB C 67 68.188 68.159 0.029 1 1 687 . 7 1 1 A 67 67 THR N N 67 120.365 113.453 6.912 1 1 688 . 7 1 1 A 68 68 MET H H 68 8.134 7.577 0.557 1 1 689 . 7 1 1 A 68 68 MET HA H 68 4.429 3.885 0.544 1 1 697 . 7 1 1 A 68 68 MET C C 68 177.682 178.493 -0.811 1 1 698 . 7 1 1 A 68 68 MET CA C 68 56.239 58.709 -2.470 1 1 699 . 7 1 1 A 68 68 MET CB C 68 30.516 31.785 -1.269 1 1 702 . 7 1 1 A 68 68 MET N N 68 120.545 119.453 1.092 1 1 703 . 7 1 1 A 69 69 GLN H H 69 9.139 6.849 2.290 1 1 704 . 7 1 1 A 69 69 GLN HA H 69 3.694 4.069 -0.375 1 1 711 . 7 1 1 A 69 69 GLN C C 69 177.433 178.085 -0.652 1 1 712 . 7 1 1 A 69 69 GLN CA C 69 59.779 57.985 1.794 1 1 713 . 7 1 1 A 69 69 GLN CB C 69 28.547 28.150 0.397 1 1 715 . 7 1 1 A 69 69 GLN N N 69 120.358 118.688 1.670 1 1 717 . 7 1 1 A 70 70 THR H H 70 7.809 8.234 -0.425 1 1 718 . 7 1 1 A 70 70 THR HA H 70 3.979 3.972 0.007 1 1 723 . 7 1 1 A 70 70 THR C C 70 176.394 176.335 0.059 1 1 724 . 7 1 1 A 70 70 THR CA C 70 66.028 66.433 -0.405 1 1 725 . 7 1 1 A 70 70 THR CB C 70 68.198 69.118 -0.920 1 1 727 . 7 1 1 A 70 70 THR N N 70 116.198 116.621 -0.423 1 1 728 . 7 1 1 A 71 71 ALA H H 71 7.859 8.055 -0.196 1 1 729 . 7 1 1 A 71 71 ALA HA H 71 3.994 4.099 -0.105 1 1 733 . 7 1 1 A 71 71 ALA CA C 71 54.902 55.056 -0.154 1 1 734 . 7 1 1 A 71 71 ALA CB C 71 17.926 18.162 -0.236 1 1 735 . 7 1 1 A 71 71 ALA N N 71 126.667 124.129 2.538 1 1 736 . 7 1 1 A 72 72 LEU H H 72 9.261 7.747 1.514 1 1 737 . 7 1 1 A 72 72 LEU HA H 72 3.915 3.882 0.033 1 1 743 . 7 1 1 A 72 72 LEU C C 72 179.219 178.989 0.230 1 1 744 . 7 1 1 A 72 72 LEU CA C 72 58.406 58.095 0.311 1 1 745 . 7 1 1 A 72 72 LEU CB C 72 38.744 41.795 -3.051 1 1 747 . 7 1 1 A 72 72 LEU N N 72 119.657 119.085 0.572 1 1 748 . 7 1 1 A 73 73 ASN H H 73 8.542 7.682 0.860 1 1 749 . 7 1 1 A 73 73 ASN HA H 73 4.606 4.500 0.106 1 1 754 . 7 1 1 A 73 73 ASN CA C 73 55.711 55.920 -0.209 1 1 755 . 7 1 1 A 73 73 ASN CB C 73 37.398 37.792 -0.394 1 1 756 . 7 1 1 A 73 73 ASN N N 73 118.851 117.408 1.443 1 1 758 . 7 1 1 A 74 74 SER H H 74 7.849 7.863 -0.014 1 1 759 . 7 1 1 A 74 74 SER HA H 74 4.379 4.322 0.057 1 1 762 . 7 1 1 A 74 74 SER C C 74 175.881 176.804 -0.923 1 1 763 . 7 1 1 A 74 74 SER CA C 74 61.405 61.505 -0.100 1 1 764 . 7 1 1 A 74 74 SER N N 74 118.042 115.826 2.216 1 1 765 . 7 1 1 A 75 75 LEU H H 75 8.084 8.932 -0.848 1 1 766 . 7 1 1 A 75 75 LEU HA H 75 4.181 4.164 0.017 1 1 773 . 7 1 1 A 75 75 LEU C C 75 176.899 178.986 -2.087 1 1 774 . 7 1 1 A 75 75 LEU CA C 75 56.746 57.785 -1.039 1 1 775 . 7 1 1 A 75 75 LEU CB C 75 41.896 41.384 0.512 1 1 777 . 7 1 1 A 75 75 LEU N N 75 124.099 118.825 5.274 1 1 778 . 7 1 1 A 76 76 ALA H H 76 8.695 7.923 0.772 1 1 779 . 7 1 1 A 76 76 ALA HA H 76 4.134 4.083 0.051 1 1 783 . 7 1 1 A 76 76 ALA C C 76 180.159 180.051 0.108 1 1 784 . 7 1 1 A 76 76 ALA CA C 76 55.315 55.197 0.118 1 1 785 . 7 1 1 A 76 76 ALA CB C 76 17.624 18.644 -1.020 1 1 786 . 7 1 1 A 76 76 ALA N N 76 121.934 122.960 -1.026 1 1 787 . 7 1 1 A 77 77 GLY H H 77 8.198 8.266 -0.068 1 1 788 . 7 1 1 A 77 77 GLY HA2 H 77 3.917 3.594 0.323 1 1 789 . 7 1 1 A 77 77 GLY HA3 H 77 3.925 3.652 0.273 1 1 790 . 7 1 1 A 77 77 GLY C C 77 175.177 176.738 -1.561 1 1 791 . 7 1 1 A 77 77 GLY CA C 77 46.066 47.223 -1.157 1 1 792 . 7 1 1 A 77 77 GLY N N 77 105.613 107.253 -1.640 1 1 793 . 7 1 1 A 78 78 TYR H H 78 7.973 7.903 0.070 1 1 794 . 7 1 1 A 78 78 TYR HA H 78 4.326 4.764 -0.438 1 1 797 . 7 1 1 A 78 78 TYR C C 78 176.705 176.519 0.186 1 1 798 . 7 1 1 A 78 78 TYR CA C 78 61.280 59.803 1.477 1 1 799 . 7 1 1 A 78 78 TYR CB C 78 37.737 38.578 -0.841 1 1 800 . 7 1 1 A 78 78 TYR N N 78 123.680 121.452 2.228 1 1 801 . 7 1 1 A 79 79 TYR H H 79 8.347 8.166 0.181 1 1 802 . 7 1 1 A 79 79 TYR HA H 79 4.750 4.722 0.028 1 1 805 . 7 1 1 A 79 79 TYR C C 79 178.135 176.866 1.269 1 1 806 . 7 1 1 A 79 79 TYR CA C 79 57.389 58.228 -0.839 1 1 807 . 7 1 1 A 79 79 TYR CB C 79 36.796 38.282 -1.486 1 1 808 . 7 1 1 A 79 79 TYR N N 79 119.870 118.407 1.463 1 1 809 . 7 1 1 A 80 80 THR H H 80 8.180 7.855 0.325 1 1 810 . 7 1 1 A 80 80 THR HA H 80 4.208 4.139 0.069 1 1 815 . 7 1 1 A 80 80 THR C C 80 175.302 175.985 -0.683 1 1 816 . 7 1 1 A 80 80 THR CA C 80 64.276 65.171 -0.895 1 1 817 . 7 1 1 A 80 80 THR CB C 80 69.098 69.072 0.026 1 1 819 . 7 1 1 A 80 80 THR N N 80 114.967 116.270 -1.303 1 1 820 . 7 1 1 A 81 81 SER H H 81 8.027 8.136 -0.109 1 1 821 . 7 1 1 A 81 81 SER HA H 81 4.214 4.747 -0.533 1 1 824 . 7 1 1 A 81 81 SER C C 81 174.305 174.867 -0.562 1 1 825 . 7 1 1 A 81 81 SER CA C 81 60.578 57.750 2.828 1 1 826 . 7 1 1 A 81 81 SER CB C 81 63.385 64.739 -1.354 1 1 827 . 7 1 1 A 81 81 SER N N 81 116.664 111.124 5.540 1 1 828 . 7 1 1 A 82 82 TYR H H 82 8.396 8.211 0.185 1 1 829 . 7 1 1 A 82 82 TYR HA H 82 4.612 4.458 0.154 1 1 832 . 7 1 1 A 82 82 TYR C C 82 176.069 176.267 -0.198 1 1 833 . 7 1 1 A 82 82 TYR CA C 82 57.676 60.709 -3.033 1 1 834 . 7 1 1 A 82 82 TYR CB C 82 38.160 39.831 -1.671 1 1 835 . 7 1 1 A 82 82 TYR N N 82 119.325 121.044 -1.719 1 1 836 . 7 1 1 A 83 83 GLY H H 83 7.982 7.730 0.252 1 1 837 . 7 1 1 A 83 83 GLY HA2 H 83 4.021 3.251 0.770 1 1 838 . 7 1 1 A 83 83 GLY HA3 H 83 3.877 3.473 0.404 1 1 839 . 7 1 1 A 83 83 GLY C C 83 178.820 172.970 5.850 1 1 840 . 7 1 1 A 83 83 GLY CA C 83 46.170 45.334 0.836 1 1 841 . 7 1 1 A 83 83 GLY N N 83 111.287 106.377 4.910 1 1 842 . 7 1 1 A 84 84 ALA H H 84 8.505 7.501 1.004 1 1 843 . 7 1 1 A 84 84 ALA HA H 84 4.619 4.557 0.062 1 1 847 . 7 1 1 A 84 84 ALA C C 84 176.933 178.020 -1.087 1 1 848 . 7 1 1 A 84 84 ALA CA C 84 51.514 50.854 0.660 1 1 849 . 7 1 1 A 84 84 ALA CB C 84 18.109 19.810 -1.701 1 1 850 . 7 1 1 A 84 84 ALA N N 84 126.408 126.935 -0.527 1 1 851 . 7 1 1 A 85 85 ARG H H 85 8.057 8.612 -0.555 1 1 852 . 7 1 1 A 85 85 ARG HA H 85 4.696 3.988 0.708 1 1 854 . 7 1 1 A 85 85 ARG CA C 85 53.887 60.979 -7.092 1 1 855 . 7 1 1 A 85 85 ARG CB C 85 30.500 29.142 1.358 1 1 856 . 7 1 1 A 85 85 ARG N N 85 123.060 117.831 5.229 1 1 857 . 7 1 1 A 86 86 PRO HA H 86 4.426 4.417 0.009 1 1 862 . 7 1 1 A 86 86 PRO CA C 86 62.541 62.727 -0.186 1 1 863 . 7 1 1 A 86 86 PRO CB C 86 31.477 31.860 -0.383 1 1 864 . 7 1 1 A 87 87 ILE H H 87 8.449 8.396 0.053 1 1 865 . 7 1 1 A 87 87 ILE HA H 87 3.821 4.470 -0.649 1 1 875 . 7 1 1 A 87 87 ILE CA C 87 58.300 58.874 -0.574 1 1 876 . 7 1 1 A 87 87 ILE CB C 87 37.630 38.648 -1.018 1 1 880 . 7 1 1 A 87 87 ILE N N 87 125.558 123.594 1.964 1 1 881 . 7 1 1 A 88 88 PRO HA H 88 4.425 4.439 -0.014 1 1 884 . 7 1 1 A 88 88 PRO C C 88 177.001 177.635 -0.634 1 1 885 . 7 1 1 A 88 88 PRO CA C 88 62.298 62.756 -0.458 1 1 886 . 7 1 1 A 88 88 PRO CB C 88 32.070 32.508 -0.438 1 1 887 . 7 1 1 A 89 89 GLU H H 89 8.861 8.598 0.263 1 1 888 . 7 1 1 A 89 89 GLU HA H 89 3.871 3.905 -0.034 1 1 891 . 7 1 1 A 89 89 GLU C C 89 177.756 178.555 -0.799 1 1 892 . 7 1 1 A 89 89 GLU CA C 89 59.711 59.813 -0.102 1 1 893 . 7 1 1 A 89 89 GLU CB C 89 29.119 29.383 -0.264 1 1 894 . 7 1 1 A 89 89 GLU N N 89 125.518 122.097 3.421 1 1 895 . 7 1 1 A 90 90 LYS H H 90 8.827 7.664 1.163 1 1 896 . 7 1 1 A 90 90 LYS HA H 90 3.969 3.972 -0.003 1 1 899 . 7 1 1 A 90 90 LYS C C 90 178.672 178.983 -0.311 1 1 900 . 7 1 1 A 90 90 LYS CA C 90 59.423 59.045 0.378 1 1 901 . 7 1 1 A 90 90 LYS CB C 90 31.820 32.095 -0.275 1 1 902 . 7 1 1 A 90 90 LYS N N 90 117.281 119.851 -2.570 1 1 903 . 7 1 1 A 91 91 LEU H H 91 6.857 7.920 -1.063 1 1 904 . 7 1 1 A 91 91 LEU HA H 91 4.212 3.953 0.259 1 1 911 . 7 1 1 A 91 91 LEU CA C 91 56.390 57.707 -1.317 1 1 912 . 7 1 1 A 91 91 LEU CB C 91 40.627 41.437 -0.810 1 1 915 . 7 1 1 A 91 91 LEU N N 91 120.818 119.579 1.239 1 1 916 . 7 1 1 A 92 92 LYS H H 92 8.156 8.230 -0.074 1 1 917 . 7 1 1 A 92 92 LYS HA H 92 3.558 3.909 -0.351 1 1 925 . 7 1 1 A 92 92 LYS C C 92 177.480 178.660 -1.180 1 1 926 . 7 1 1 A 92 92 LYS CA C 92 60.613 60.015 0.598 1 1 927 . 7 1 1 A 92 92 LYS CB C 92 31.812 32.424 -0.612 1 1 931 . 7 1 1 A 92 92 LYS N N 92 120.663 118.106 2.557 1 1 932 . 7 1 1 A 93 93 LYS H H 93 8.156 9.104 -0.948 1 1 933 . 7 1 1 A 93 93 LYS HA H 93 4.032 3.938 0.094 1 1 936 . 7 1 1 A 93 93 LYS C C 93 178.757 178.808 -0.051 1 1 937 . 7 1 1 A 93 93 LYS CA C 93 58.546 59.618 -1.072 1 1 938 . 7 1 1 A 93 93 LYS CB C 93 31.726 32.386 -0.660 1 1 939 . 7 1 1 A 93 93 LYS N N 93 116.478 118.695 -2.217 1 1 940 . 7 1 1 A 94 94 ARG H H 94 7.287 7.763 -0.476 1 1 941 . 7 1 1 A 94 94 ARG HA H 94 4.032 4.099 -0.067 1 1 948 . 7 1 1 A 94 94 ARG C C 94 177.872 178.629 -0.757 1 1 949 . 7 1 1 A 94 94 ARG CA C 94 58.639 59.211 -0.572 1 1 950 . 7 1 1 A 94 94 ARG CB C 94 29.490 30.440 -0.950 1 1 953 . 7 1 1 A 94 94 ARG N N 94 120.980 119.100 1.880 1 1 955 . 7 1 1 A 95 95 LEU H H 95 8.365 9.422 -1.057 1 1 956 . 7 1 1 A 95 95 LEU HA H 95 3.597 4.042 -0.445 1 1 960 . 7 1 1 A 95 95 LEU C C 95 177.342 179.512 -2.170 1 1 961 . 7 1 1 A 95 95 LEU CA C 95 57.009 57.788 -0.779 1 1 962 . 7 1 1 A 95 95 LEU CB C 95 40.718 40.980 -0.262 1 1 964 . 7 1 1 A 95 95 LEU N N 95 119.611 119.368 0.243 1 1 965 . 7 1 1 A 96 96 GLN H H 96 8.126 9.599 -1.473 1 1 966 . 7 1 1 A 96 96 GLN HA H 96 4.033 4.102 -0.069 1 1 972 . 7 1 1 A 96 96 GLN C C 96 179.502 178.302 1.200 1 1 973 . 7 1 1 A 96 96 GLN CA C 96 58.743 59.064 -0.321 1 1 974 . 7 1 1 A 96 96 GLN CB C 96 27.315 28.309 -0.994 1 1 976 . 7 1 1 A 96 96 GLN N N 96 115.986 119.774 -3.788 1 1 978 . 7 1 1 A 97 97 LEU H H 97 7.574 9.207 -1.633 1 1 979 . 7 1 1 A 97 97 LEU HA H 97 4.176 4.133 0.043 1 1 983 . 7 1 1 A 97 97 LEU CA C 97 57.816 57.757 0.059 1 1 984 . 7 1 1 A 97 97 LEU CB C 97 41.107 42.010 -0.903 1 1 985 . 7 1 1 A 97 97 LEU N N 97 121.721 121.215 0.506 1 1 986 . 7 1 1 A 98 98 GLU H H 98 8.180 9.130 -0.950 1 1 987 . 7 1 1 A 98 98 GLU HA H 98 3.970 3.967 0.003 1 1 989 . 7 1 1 A 98 98 GLU C C 98 178.852 179.031 -0.179 1 1 990 . 7 1 1 A 98 98 GLU CA C 98 59.074 59.504 -0.430 1 1 991 . 7 1 1 A 98 98 GLU CB C 98 28.376 29.386 -1.010 1 1 992 . 7 1 1 A 98 98 GLU N N 98 122.418 119.738 2.680 1 1 993 . 7 1 1 A 99 99 PHE H H 99 8.995 9.234 -0.239 1 1 994 . 7 1 1 A 99 99 PHE HA H 99 4.560 4.091 0.469 1 1 997 . 7 1 1 A 99 99 PHE C C 99 178.050 177.925 0.125 1 1 998 . 7 1 1 A 99 99 PHE CA C 99 57.595 61.269 -3.674 1 1 999 . 7 1 1 A 99 99 PHE CB C 99 36.788 39.258 -2.470 1 1 1000 . 7 1 1 A 99 99 PHE N N 99 118.943 121.988 -3.045 1 1 1001 . 7 1 1 A 100 100 THR H H 100 7.985 9.335 -1.350 1 1 1002 . 7 1 1 A 100 100 THR HA H 100 4.097 3.710 0.387 1 1 1007 . 7 1 1 A 100 100 THR CA C 100 66.567 65.419 1.148 1 1 1008 . 7 1 1 A 100 100 THR CB C 100 68.200 68.552 -0.352 1 1 1010 . 7 1 1 A 100 100 THR N N 100 117.633 113.589 4.044 1 1 1011 . 7 1 1 A 101 101 GLN H H 101 8.160 8.881 -0.721 1 1 1012 . 7 1 1 A 101 101 GLN HA H 101 4.017 4.210 -0.193 1 1 1018 . 7 1 1 A 101 101 GLN C C 101 179.034 177.561 1.473 1 1 1019 . 7 1 1 A 101 101 GLN CA C 101 58.649 57.757 0.892 1 1 1020 . 7 1 1 A 101 101 GLN CB C 101 27.541 28.909 -1.368 1 1 1022 . 7 1 1 A 101 101 GLN N N 101 122.138 120.216 1.922 1 1 1024 . 7 1 1 A 102 102 ALA H H 102 8.768 8.832 -0.064 1 1 1025 . 7 1 1 A 102 102 ALA HA H 102 4.036 4.191 -0.155 1 1 1029 . 7 1 1 A 102 102 ALA C C 102 178.466 178.792 -0.326 1 1 1030 . 7 1 1 A 102 102 ALA CA C 102 55.525 54.883 0.642 1 1 1031 . 7 1 1 A 102 102 ALA CB C 102 18.046 19.200 -1.154 1 1 1032 . 7 1 1 A 102 102 ALA N N 102 124.541 122.182 2.359 1 1 1033 . 7 1 1 A 103 103 GLU H H 103 8.552 9.167 -0.615 1 1 1034 . 7 1 1 A 103 103 GLU HA H 103 3.680 3.831 -0.151 1 1 1039 . 7 1 1 A 103 103 GLU C C 103 178.447 178.585 -0.138 1 1 1040 . 7 1 1 A 103 103 GLU CA C 103 59.802 59.125 0.677 1 1 1041 . 7 1 1 A 103 103 GLU CB C 103 29.672 28.704 0.968 1 1 1043 . 7 1 1 A 103 103 GLU N N 103 120.048 118.735 1.313 1 1 1044 . 7 1 1 A 104 104 ARG H H 104 8.242 7.994 0.248 1 1 1045 . 7 1 1 A 104 104 ARG HA H 104 4.214 3.977 0.237 1 1 1048 . 7 1 1 A 104 104 ARG C C 104 178.958 178.388 0.570 1 1 1049 . 7 1 1 A 104 104 ARG CA C 104 58.135 59.175 -1.040 1 1 1050 . 7 1 1 A 104 104 ARG CB C 104 29.742 29.815 -0.073 1 1 1051 . 7 1 1 A 104 104 ARG N N 104 119.448 120.101 -0.653 1 1 1052 . 7 1 1 A 105 105 SER H H 105 8.087 7.607 0.480 1 1 1053 . 7 1 1 A 105 105 SER HA H 105 4.290 4.216 0.074 1 1 1056 . 7 1 1 A 105 105 SER CA C 105 61.917 62.417 -0.500 1 1 1057 . 7 1 1 A 105 105 SER N N 105 117.329 116.513 0.816 1 1 1058 . 7 1 1 A 106 106 ILE H H 106 8.403 7.814 0.589 1 1 1059 . 7 1 1 A 106 106 ILE HA H 106 4.113 3.709 0.404 1 1 1069 . 7 1 1 A 106 106 ILE CA C 106 61.487 64.905 -3.418 1 1 1070 . 7 1 1 A 106 106 ILE CB C 106 35.600 37.329 -1.729 1 1 1074 . 7 1 1 A 106 106 ILE N N 106 124.394 121.276 3.118 1 1 1075 . 7 1 1 A 107 107 GLU H H 107 8.187 8.113 0.074 1 1 1076 . 7 1 1 A 107 107 GLU HA H 107 4.126 4.189 -0.063 1 1 1079 . 7 1 1 A 107 107 GLU C C 107 177.494 176.827 0.667 1 1 1080 . 7 1 1 A 107 107 GLU CA C 107 58.849 58.632 0.217 1 1 1081 . 7 1 1 A 107 107 GLU CB C 107 29.052 29.389 -0.337 1 1 1082 . 7 1 1 A 107 107 GLU N N 107 123.223 119.463 3.760 1 1 1083 . 7 1 1 A 108 108 ARG H H 108 7.651 8.041 -0.390 1 1 1084 . 7 1 1 A 108 108 ARG HA H 108 4.431 4.488 -0.057 1 1 1090 . 7 1 1 A 108 108 ARG C C 108 175.927 176.819 -0.892 1 1 1091 . 7 1 1 A 108 108 ARG CA C 108 55.584 56.657 -1.073 1 1 1092 . 7 1 1 A 108 108 ARG CB C 108 30.806 32.874 -2.068 1 1 1094 . 7 1 1 A 108 108 ARG N N 108 117.394 116.781 0.613 1 1 1095 . 7 1 1 A 109 109 GLY H H 109 8.190 7.862 0.328 1 1 1096 . 7 1 1 A 109 109 GLY HA2 H 109 4.141 4.072 0.069 1 1 1097 . 7 1 1 A 109 109 GLY HA3 H 109 4.060 4.073 -0.013 1 1 1098 . 7 1 1 A 109 109 GLY C C 109 174.031 174.449 -0.418 1 1 1099 . 7 1 1 A 109 109 GLY CA C 109 45.823 45.734 0.089 1 1 1100 . 7 1 1 A 109 109 GLY N N 109 110.712 105.464 5.248 1 1 7 . 8 1 1 A 2 2 ASP H H 2 8.644 8.649 -0.005 1 1 8 . 8 1 1 A 2 2 ASP HA H 2 4.373 4.832 -0.459 1 1 11 . 8 1 1 A 2 2 ASP C C 2 178.938 175.920 3.018 1 1 12 . 8 1 1 A 2 2 ASP CA C 2 53.794 52.216 1.578 1 1 13 . 8 1 1 A 2 2 ASP CB C 2 41.025 41.643 -0.618 1 1 14 . 8 1 1 A 2 2 ASP N N 2 122.106 120.310 1.796 1 1 15 . 8 1 1 A 3 3 SER H H 3 8.508 9.138 -0.630 1 1 16 . 8 1 1 A 3 3 SER HA H 3 4.331 4.428 -0.097 1 1 19 . 8 1 1 A 3 3 SER C C 3 174.777 173.979 0.798 1 1 20 . 8 1 1 A 3 3 SER CA C 3 58.141 59.432 -1.291 1 1 21 . 8 1 1 A 3 3 SER CB C 3 63.359 61.987 1.372 1 1 22 . 8 1 1 A 3 3 SER N N 3 117.604 113.940 3.664 1 1 23 . 8 1 1 A 4 4 GLY H H 4 8.603 8.659 -0.056 1 1 24 . 8 1 1 A 4 4 GLY HA2 H 4 4.130 4.176 -0.046 1 1 25 . 8 1 1 A 4 4 GLY HA3 H 4 4.076 4.182 -0.106 1 1 26 . 8 1 1 A 4 4 GLY C C 4 174.283 172.874 1.409 1 1 27 . 8 1 1 A 4 4 GLY CA C 4 45.054 44.475 0.579 1 1 28 . 8 1 1 A 4 4 GLY N N 4 111.842 110.271 1.571 1 1 29 . 8 1 1 A 5 5 THR H H 5 8.140 8.745 -0.605 1 1 30 . 8 1 1 A 5 5 THR HA H 5 4.371 5.095 -0.724 1 1 35 . 8 1 1 A 5 5 THR C C 5 174.827 174.524 0.303 1 1 36 . 8 1 1 A 5 5 THR CA C 5 61.515 60.576 0.939 1 1 37 . 8 1 1 A 5 5 THR CB C 5 69.683 73.397 -3.714 1 1 39 . 8 1 1 A 5 5 THR N N 5 112.188 114.351 -2.163 1 1 40 . 8 1 1 A 6 6 GLY H H 6 8.425 8.546 -0.121 1 1 41 . 8 1 1 A 6 6 GLY HA2 H 6 4.109 3.946 0.163 1 1 42 . 8 1 1 A 6 6 GLY HA3 H 6 3.875 3.949 -0.074 1 1 43 . 8 1 1 A 6 6 GLY C C 6 173.670 174.277 -0.607 1 1 44 . 8 1 1 A 6 6 GLY CA C 6 44.466 45.253 -0.787 1 1 45 . 8 1 1 A 6 6 GLY N N 6 110.955 113.314 -2.359 1 1 46 . 8 1 1 A 7 7 LEU H H 7 7.993 7.249 0.744 1 1 47 . 8 1 1 A 7 7 LEU HA H 7 4.503 4.082 0.421 1 1 53 . 8 1 1 A 7 7 LEU C C 7 177.284 176.731 0.553 1 1 54 . 8 1 1 A 7 7 LEU CA C 7 54.741 55.935 -1.194 1 1 55 . 8 1 1 A 7 7 LEU CB C 7 39.284 42.308 -3.024 1 1 58 . 8 1 1 A 7 7 LEU N N 7 121.268 121.769 -0.501 1 1 59 . 8 1 1 A 8 8 THR H H 8 10.385 8.743 1.642 1 1 60 . 8 1 1 A 8 8 THR HA H 8 4.521 4.329 0.192 1 1 65 . 8 1 1 A 8 8 THR C C 8 176.965 174.735 2.230 1 1 66 . 8 1 1 A 8 8 THR CA C 8 64.563 63.858 0.705 1 1 67 . 8 1 1 A 8 8 THR CB C 8 71.946 70.408 1.538 1 1 69 . 8 1 1 A 8 8 THR N N 8 113.472 120.070 -6.598 1 1 70 . 8 1 1 A 9 9 GLY H H 9 9.733 7.357 2.376 1 1 71 . 8 1 1 A 9 9 GLY HA2 H 9 4.391 3.820 0.571 1 1 72 . 8 1 1 A 9 9 GLY HA3 H 9 3.805 3.935 -0.130 1 1 73 . 8 1 1 A 9 9 GLY C C 9 173.133 174.184 -1.051 1 1 74 . 8 1 1 A 9 9 GLY CA C 9 45.453 45.043 0.410 1 1 75 . 8 1 1 A 9 9 GLY N N 9 114.948 109.058 5.890 1 1 76 . 8 1 1 A 10 10 ASN H H 10 7.664 7.638 0.026 1 1 77 . 8 1 1 A 10 10 ASN HA H 10 4.906 4.804 0.102 1 1 82 . 8 1 1 A 10 10 ASN C C 10 173.098 173.697 -0.599 1 1 83 . 8 1 1 A 10 10 ASN CA C 10 51.504 52.018 -0.514 1 1 84 . 8 1 1 A 10 10 ASN CB C 10 38.449 39.355 -0.906 1 1 85 . 8 1 1 A 10 10 ASN N N 10 120.991 117.051 3.940 1 1 87 . 8 1 1 A 11 11 TYR H H 11 8.892 8.005 0.887 1 1 88 . 8 1 1 A 11 11 TYR HA H 11 3.767 4.960 -1.193 1 1 91 . 8 1 1 A 11 11 TYR C C 11 177.871 175.984 1.887 1 1 92 . 8 1 1 A 11 11 TYR CA C 11 61.897 58.122 3.775 1 1 93 . 8 1 1 A 11 11 TYR CB C 11 38.099 39.857 -1.758 1 1 94 . 8 1 1 A 11 11 TYR N N 11 128.653 119.455 9.198 1 1 95 . 8 1 1 A 12 12 SER H H 12 8.729 8.983 -0.254 1 1 96 . 8 1 1 A 12 12 SER HA H 12 3.747 4.555 -0.808 1 1 99 . 8 1 1 A 12 12 SER C C 12 174.675 176.129 -1.454 1 1 100 . 8 1 1 A 12 12 SER CA C 12 62.371 62.287 0.084 1 1 101 . 8 1 1 A 12 12 SER CB C 12 61.600 63.057 -1.457 1 1 102 . 8 1 1 A 12 12 SER N N 12 119.446 116.663 2.783 1 1 103 . 8 1 1 A 13 13 GLN H H 13 7.645 7.915 -0.270 1 1 104 . 8 1 1 A 13 13 GLN HA H 13 3.955 4.081 -0.126 1 1 110 . 8 1 1 A 13 13 GLN C C 13 178.400 178.183 0.217 1 1 111 . 8 1 1 A 13 13 GLN CA C 13 58.083 58.619 -0.536 1 1 112 . 8 1 1 A 13 13 GLN CB C 13 28.328 28.695 -0.367 1 1 114 . 8 1 1 A 13 13 GLN N N 13 121.234 121.291 -0.057 1 1 116 . 8 1 1 A 14 14 ASP H H 14 9.314 8.251 1.063 1 1 117 . 8 1 1 A 14 14 ASP HA H 14 4.513 4.256 0.257 1 1 120 . 8 1 1 A 14 14 ASP C C 14 177.320 178.909 -1.589 1 1 121 . 8 1 1 A 14 14 ASP CA C 14 56.778 57.042 -0.264 1 1 122 . 8 1 1 A 14 14 ASP CB C 14 40.380 40.572 -0.192 1 1 123 . 8 1 1 A 14 14 ASP N N 14 120.095 120.081 0.014 1 1 124 . 8 1 1 A 15 15 THR H H 15 8.283 7.949 0.334 1 1 125 . 8 1 1 A 15 15 THR HA H 15 3.637 4.091 -0.454 1 1 130 . 8 1 1 A 15 15 THR C C 15 174.455 176.881 -2.426 1 1 131 . 8 1 1 A 15 15 THR CA C 15 67.657 66.737 0.920 1 1 132 . 8 1 1 A 15 15 THR CB C 15 67.465 68.400 -0.935 1 1 134 . 8 1 1 A 15 15 THR N N 15 117.657 115.481 2.176 1 1 135 . 8 1 1 A 16 16 LEU H H 16 7.452 7.803 -0.351 1 1 136 . 8 1 1 A 16 16 LEU HA H 16 3.919 3.967 -0.048 1 1 140 . 8 1 1 A 16 16 LEU C C 16 179.666 179.187 0.479 1 1 141 . 8 1 1 A 16 16 LEU CA C 16 57.864 58.074 -0.210 1 1 142 . 8 1 1 A 16 16 LEU CB C 16 39.811 41.514 -1.703 1 1 144 . 8 1 1 A 16 16 LEU N N 16 120.034 121.322 -1.288 1 1 145 . 8 1 1 A 17 17 THR H H 17 8.708 7.728 0.980 1 1 146 . 8 1 1 A 17 17 THR HA H 17 3.893 3.996 -0.103 1 1 151 . 8 1 1 A 17 17 THR C C 17 179.666 176.867 2.799 1 1 152 . 8 1 1 A 17 17 THR CA C 17 66.152 66.899 -0.747 1 1 153 . 8 1 1 A 17 17 THR CB C 17 67.921 68.840 -0.919 1 1 155 . 8 1 1 A 17 17 THR N N 17 121.382 115.912 5.470 1 1 156 . 8 1 1 A 18 18 VAL H H 18 8.194 8.281 -0.087 1 1 157 . 8 1 1 A 18 18 VAL HA H 18 3.705 3.666 0.039 1 1 165 . 8 1 1 A 18 18 VAL C C 18 177.242 178.035 -0.793 1 1 166 . 8 1 1 A 18 18 VAL CA C 18 65.886 67.133 -1.247 1 1 167 . 8 1 1 A 18 18 VAL CB C 18 30.729 31.989 -1.260 1 1 170 . 8 1 1 A 18 18 VAL N N 18 123.227 121.578 1.649 1 1 171 . 8 1 1 A 19 19 ILE H H 19 7.933 9.177 -1.244 1 1 172 . 8 1 1 A 19 19 ILE HA H 19 2.633 3.771 -1.138 1 1 182 . 8 1 1 A 19 19 ILE C C 19 176.276 178.227 -1.951 1 1 183 . 8 1 1 A 19 19 ILE CA C 19 66.137 65.037 1.100 1 1 184 . 8 1 1 A 19 19 ILE CB C 19 37.782 37.172 0.610 1 1 188 . 8 1 1 A 19 19 ILE N N 19 119.786 118.861 0.925 1 1 189 . 8 1 1 A 20 20 ALA H H 20 7.782 8.442 -0.660 1 1 190 . 8 1 1 A 20 20 ALA HA H 20 3.972 4.082 -0.110 1 1 194 . 8 1 1 A 20 20 ALA C C 20 180.867 180.157 0.710 1 1 195 . 8 1 1 A 20 20 ALA CA C 20 55.170 55.360 -0.190 1 1 196 . 8 1 1 A 20 20 ALA CB C 20 17.282 18.522 -1.240 1 1 197 . 8 1 1 A 20 20 ALA N N 20 121.793 123.637 -1.844 1 1 198 . 8 1 1 A 21 21 THR H H 21 8.573 7.638 0.935 1 1 199 . 8 1 1 A 21 21 THR HA H 21 3.902 3.990 -0.088 1 1 204 . 8 1 1 A 21 21 THR C C 21 176.720 176.687 0.033 1 1 205 . 8 1 1 A 21 21 THR CA C 21 65.200 66.304 -1.104 1 1 206 . 8 1 1 A 21 21 THR CB C 21 68.092 68.281 -0.189 1 1 208 . 8 1 1 A 21 21 THR N N 21 118.393 113.269 5.124 1 1 209 . 8 1 1 A 22 22 LEU H H 22 8.583 7.850 0.733 1 1 210 . 8 1 1 A 22 22 LEU HA H 22 4.065 4.213 -0.148 1 1 217 . 8 1 1 A 22 22 LEU C C 22 178.284 178.800 -0.516 1 1 218 . 8 1 1 A 22 22 LEU CA C 22 57.005 58.044 -1.039 1 1 219 . 8 1 1 A 22 22 LEU CB C 22 40.209 41.678 -1.469 1 1 223 . 8 1 1 A 22 22 LEU N N 22 122.517 122.128 0.389 1 1 224 . 8 1 1 A 23 23 ARG H H 23 8.858 8.663 0.195 1 1 225 . 8 1 1 A 23 23 ARG HA H 23 3.873 4.255 -0.382 1 1 230 . 8 1 1 A 23 23 ARG C C 23 178.503 179.370 -0.867 1 1 231 . 8 1 1 A 23 23 ARG CA C 23 60.362 59.454 0.908 1 1 232 . 8 1 1 A 23 23 ARG CB C 23 29.808 29.867 -0.059 1 1 235 . 8 1 1 A 23 23 ARG N N 23 120.502 118.533 1.969 1 1 237 . 8 1 1 A 24 24 GLU H H 24 7.250 8.262 -1.012 1 1 238 . 8 1 1 A 24 24 GLU HA H 24 4.109 4.104 0.005 1 1 243 . 8 1 1 A 24 24 GLU CA C 24 58.312 59.140 -0.828 1 1 244 . 8 1 1 A 24 24 GLU CB C 24 29.024 28.747 0.277 1 1 246 . 8 1 1 A 24 24 GLU N N 24 117.221 119.897 -2.676 1 1 247 . 8 1 1 A 25 25 ALA H H 25 8.223 7.842 0.381 1 1 248 . 8 1 1 A 25 25 ALA HA H 25 3.983 4.110 -0.127 1 1 252 . 8 1 1 A 25 25 ALA C C 25 180.617 179.372 1.245 1 1 253 . 8 1 1 A 25 25 ALA CA C 25 55.203 55.151 0.052 1 1 254 . 8 1 1 A 25 25 ALA CB C 25 17.657 18.258 -0.601 1 1 255 . 8 1 1 A 25 25 ALA N N 25 121.823 122.900 -1.077 1 1 256 . 8 1 1 A 26 26 ILE H H 26 8.552 7.131 1.421 1 1 257 . 8 1 1 A 26 26 ILE HA H 26 4.144 3.775 0.369 1 1 267 . 8 1 1 A 26 26 ILE C C 26 175.586 176.176 -0.590 1 1 268 . 8 1 1 A 26 26 ILE CA C 26 63.790 62.638 1.152 1 1 269 . 8 1 1 A 26 26 ILE CB C 26 37.496 38.561 -1.065 1 1 273 . 8 1 1 A 26 26 ILE N N 26 112.838 118.119 -5.281 1 1 274 . 8 1 1 A 27 27 ASP H H 27 7.175 7.445 -0.270 1 1 275 . 8 1 1 A 27 27 ASP HA H 27 4.934 4.876 0.058 1 1 278 . 8 1 1 A 27 27 ASP C C 27 175.602 175.761 -0.159 1 1 279 . 8 1 1 A 27 27 ASP CA C 27 53.160 52.868 0.292 1 1 280 . 8 1 1 A 27 27 ASP CB C 27 41.754 40.555 1.199 1 1 281 . 8 1 1 A 27 27 ASP N N 27 120.840 118.151 2.689 1 1 282 . 8 1 1 A 28 28 LEU H H 28 7.136 7.596 -0.460 1 1 283 . 8 1 1 A 28 28 LEU HA H 28 4.510 4.605 -0.095 1 1 290 . 8 1 1 A 28 28 LEU CA C 28 53.379 53.157 0.222 1 1 291 . 8 1 1 A 28 28 LEU CB C 28 42.286 41.848 0.438 1 1 294 . 8 1 1 A 28 28 LEU N N 28 124.155 117.976 6.179 1 1 295 . 8 1 1 A 29 29 PRO HA H 29 4.552 4.540 0.012 1 1 301 . 8 1 1 A 29 29 PRO C C 29 177.414 177.148 0.266 1 1 302 . 8 1 1 A 29 29 PRO CA C 29 62.506 62.877 -0.371 1 1 303 . 8 1 1 A 29 29 PRO CB C 29 32.263 32.643 -0.380 1 1 305 . 8 1 1 A 30 30 GLN H H 30 8.935 8.597 0.338 1 1 306 . 8 1 1 A 30 30 GLN HA H 30 3.966 4.123 -0.157 1 1 311 . 8 1 1 A 30 30 GLN C C 30 175.595 176.352 -0.757 1 1 312 . 8 1 1 A 30 30 GLN CA C 30 58.036 58.148 -0.112 1 1 313 . 8 1 1 A 30 30 GLN CB C 30 28.116 28.439 -0.323 1 1 315 . 8 1 1 A 30 30 GLN N N 30 122.119 121.439 0.680 1 1 317 . 8 1 1 A 31 31 ASP H H 31 8.353 7.981 0.372 1 1 318 . 8 1 1 A 31 31 ASP HA H 31 4.682 4.661 0.021 1 1 321 . 8 1 1 A 31 31 ASP C C 31 175.518 175.833 -0.315 1 1 322 . 8 1 1 A 31 31 ASP CA C 31 52.178 54.654 -2.476 1 1 323 . 8 1 1 A 31 31 ASP CB C 31 39.270 41.397 -2.127 1 1 324 . 8 1 1 A 31 31 ASP N N 31 115.909 118.146 -2.237 1 1 325 . 8 1 1 A 32 32 ALA H H 32 7.467 7.510 -0.043 1 1 326 . 8 1 1 A 32 32 ALA HA H 32 4.564 4.811 -0.247 1 1 330 . 8 1 1 A 32 32 ALA CA C 32 50.496 50.046 0.450 1 1 331 . 8 1 1 A 32 32 ALA CB C 32 17.852 19.071 -1.219 1 1 332 . 8 1 1 A 32 32 ALA N N 32 124.893 122.602 2.291 1 1 333 . 8 1 1 A 33 33 PRO HA H 33 4.494 4.485 0.009 1 1 339 . 8 1 1 A 33 33 PRO C C 33 176.278 175.950 0.328 1 1 340 . 8 1 1 A 33 33 PRO CA C 33 63.894 63.622 0.272 1 1 341 . 8 1 1 A 33 33 PRO CB C 33 31.354 31.059 0.295 1 1 344 . 8 1 1 A 34 34 ASN H H 34 8.577 8.936 -0.359 1 1 345 . 8 1 1 A 34 34 ASN HA H 34 5.041 5.124 -0.083 1 1 350 . 8 1 1 A 34 34 ASN C C 34 174.678 175.963 -1.285 1 1 351 . 8 1 1 A 34 34 ASN CA C 34 51.792 51.683 0.109 1 1 352 . 8 1 1 A 34 34 ASN CB C 34 36.334 38.474 -2.140 1 1 353 . 8 1 1 A 34 34 ASN N N 34 115.598 115.797 -0.199 1 1 355 . 8 1 1 A 35 35 ARG H H 35 7.401 8.539 -1.138 1 1 356 . 8 1 1 A 35 35 ARG HA H 35 3.726 4.116 -0.390 1 1 363 . 8 1 1 A 35 35 ARG C C 35 176.887 178.801 -1.914 1 1 364 . 8 1 1 A 35 35 ARG CA C 35 60.063 59.391 0.672 1 1 365 . 8 1 1 A 35 35 ARG CB C 35 29.571 29.930 -0.359 1 1 368 . 8 1 1 A 35 35 ARG N N 35 119.690 123.437 -3.747 1 1 370 . 8 1 1 A 36 36 GLN H H 36 8.780 8.030 0.750 1 1 371 . 8 1 1 A 36 36 GLN HA H 36 3.805 4.200 -0.395 1 1 377 . 8 1 1 A 36 36 GLN CA C 36 58.618 58.861 -0.243 1 1 378 . 8 1 1 A 36 36 GLN CB C 36 27.595 28.581 -0.986 1 1 380 . 8 1 1 A 36 36 GLN N N 36 119.100 118.360 0.740 1 1 382 . 8 1 1 A 37 37 GLU H H 37 8.128 8.102 0.026 1 1 383 . 8 1 1 A 37 37 GLU HA H 37 4.137 4.056 0.081 1 1 387 . 8 1 1 A 37 37 GLU C C 37 179.222 179.338 -0.116 1 1 388 . 8 1 1 A 37 37 GLU CA C 37 59.336 59.512 -0.176 1 1 389 . 8 1 1 A 37 37 GLU CB C 37 28.781 29.375 -0.594 1 1 391 . 8 1 1 A 37 37 GLU N N 37 120.485 120.348 0.137 1 1 392 . 8 1 1 A 38 38 VAL H H 38 8.127 7.886 0.241 1 1 393 . 8 1 1 A 38 38 VAL HA H 38 3.708 3.670 0.038 1 1 401 . 8 1 1 A 38 38 VAL C C 38 178.246 178.085 0.161 1 1 402 . 8 1 1 A 38 38 VAL CA C 38 66.019 66.443 -0.424 1 1 403 . 8 1 1 A 38 38 VAL CB C 38 31.008 31.665 -0.657 1 1 406 . 8 1 1 A 38 38 VAL N N 38 121.937 120.488 1.449 1 1 407 . 8 1 1 A 39 39 GLN H H 39 8.324 8.080 0.244 1 1 408 . 8 1 1 A 39 39 GLN HA H 39 3.764 4.023 -0.259 1 1 415 . 8 1 1 A 39 39 GLN C C 39 177.642 177.531 0.111 1 1 416 . 8 1 1 A 39 39 GLN CA C 39 59.019 58.946 0.073 1 1 417 . 8 1 1 A 39 39 GLN CB C 39 27.176 28.379 -1.203 1 1 419 . 8 1 1 A 39 39 GLN N N 39 120.203 120.073 0.130 1 1 421 . 8 1 1 A 40 40 ASP H H 40 8.699 8.488 0.211 1 1 422 . 8 1 1 A 40 40 ASP HA H 40 4.391 4.076 0.315 1 1 425 . 8 1 1 A 40 40 ASP C C 40 179.726 178.640 1.086 1 1 426 . 8 1 1 A 40 40 ASP CA C 40 57.267 57.549 -0.282 1 1 427 . 8 1 1 A 40 40 ASP CB C 40 39.458 41.242 -1.784 1 1 428 . 8 1 1 A 40 40 ASP N N 40 121.604 119.921 1.683 1 1 429 . 8 1 1 A 41 41 THR H H 41 8.449 7.505 0.944 1 1 430 . 8 1 1 A 41 41 THR HA H 41 3.981 3.876 0.105 1 1 435 . 8 1 1 A 41 41 THR CA C 41 66.254 65.531 0.723 1 1 436 . 8 1 1 A 41 41 THR CB C 41 67.937 68.417 -0.480 1 1 437 . 8 1 1 A 41 41 THR N N 41 121.386 116.072 5.314 1 1 438 . 8 1 1 A 42 42 ALA H H 42 8.552 7.866 0.686 1 1 439 . 8 1 1 A 42 42 ALA HA H 42 3.876 3.935 -0.059 1 1 443 . 8 1 1 A 42 42 ALA C C 42 178.300 180.035 -1.735 1 1 444 . 8 1 1 A 42 42 ALA CA C 42 55.244 55.463 -0.219 1 1 445 . 8 1 1 A 42 42 ALA CB C 42 17.295 18.030 -0.735 1 1 446 . 8 1 1 A 42 42 ALA N N 42 126.245 123.622 2.623 1 1 447 . 8 1 1 A 43 43 ARG H H 43 8.553 7.979 0.574 1 1 448 . 8 1 1 A 43 43 ARG HA H 43 3.923 3.954 -0.031 1 1 451 . 8 1 1 A 43 43 ARG C C 43 178.522 179.189 -0.667 1 1 452 . 8 1 1 A 43 43 ARG CA C 43 59.680 59.475 0.205 1 1 453 . 8 1 1 A 43 43 ARG CB C 43 29.887 29.828 0.059 1 1 454 . 8 1 1 A 43 43 ARG N N 43 117.705 119.150 -1.445 1 1 455 . 8 1 1 A 44 44 GLY H H 44 8.049 7.876 0.173 1 1 456 . 8 1 1 A 44 44 GLY HA2 H 44 4.066 3.823 0.243 1 1 457 . 8 1 1 A 44 44 GLY HA3 H 44 3.972 3.825 0.147 1 1 458 . 8 1 1 A 44 44 GLY CA C 44 46.710 47.070 -0.360 1 1 459 . 8 1 1 A 44 44 GLY N N 44 106.443 107.060 -0.617 1 1 460 . 8 1 1 A 45 45 GLN H H 45 8.305 7.755 0.550 1 1 461 . 8 1 1 A 45 45 GLN HA H 45 4.204 4.302 -0.098 1 1 466 . 8 1 1 A 45 45 GLN C C 45 177.942 178.830 -0.888 1 1 467 . 8 1 1 A 45 45 GLN CA C 45 59.930 58.707 1.223 1 1 468 . 8 1 1 A 45 45 GLN CB C 45 28.520 28.564 -0.044 1 1 470 . 8 1 1 A 45 45 GLN N N 45 123.780 121.446 2.334 1 1 472 . 8 1 1 A 46 46 ILE H H 46 8.673 7.711 0.962 1 1 473 . 8 1 1 A 46 46 ILE HA H 46 3.594 3.877 -0.283 1 1 483 . 8 1 1 A 46 46 ILE C C 46 176.649 177.837 -1.188 1 1 484 . 8 1 1 A 46 46 ILE CA C 46 66.299 64.731 1.568 1 1 485 . 8 1 1 A 46 46 ILE CB C 46 37.762 37.437 0.325 1 1 489 . 8 1 1 A 46 46 ILE N N 46 120.050 119.168 0.882 1 1 490 . 8 1 1 A 47 47 ASN H H 47 7.866 7.878 -0.012 1 1 491 . 8 1 1 A 47 47 ASN HA H 47 4.525 4.393 0.132 1 1 495 . 8 1 1 A 47 47 ASN C C 47 176.649 177.613 -0.964 1 1 496 . 8 1 1 A 47 47 ASN CA C 47 55.703 56.826 -1.123 1 1 497 . 8 1 1 A 47 47 ASN CB C 47 37.925 39.608 -1.683 1 1 498 . 8 1 1 A 47 47 ASN N N 47 116.444 119.971 -3.527 1 1 500 . 8 1 1 A 48 48 ASP H H 48 8.185 7.680 0.505 1 1 501 . 8 1 1 A 48 48 ASP HA H 48 4.460 4.407 0.053 1 1 504 . 8 1 1 A 48 48 ASP C C 48 176.285 178.349 -2.064 1 1 505 . 8 1 1 A 48 48 ASP CA C 48 56.635 57.359 -0.724 1 1 506 . 8 1 1 A 48 48 ASP CB C 48 41.593 40.821 0.772 1 1 507 . 8 1 1 A 48 48 ASP N N 48 121.725 118.579 3.146 1 1 508 . 8 1 1 A 49 49 TYR H H 49 8.756 9.235 -0.479 1 1 509 . 8 1 1 A 49 49 TYR HA H 49 3.892 4.476 -0.584 1 1 512 . 8 1 1 A 49 49 TYR C C 49 176.432 177.081 -0.649 1 1 513 . 8 1 1 A 49 49 TYR CA C 49 62.617 61.363 1.254 1 1 514 . 8 1 1 A 49 49 TYR CB C 49 39.188 38.532 0.656 1 1 515 . 8 1 1 A 49 49 TYR N N 49 121.005 121.701 -0.696 1 1 516 . 8 1 1 A 50 50 ILE H H 50 8.481 8.848 -0.367 1 1 517 . 8 1 1 A 50 50 ILE HA H 50 3.901 4.138 -0.237 1 1 527 . 8 1 1 A 50 50 ILE C C 50 177.407 176.360 1.047 1 1 528 . 8 1 1 A 50 50 ILE CA C 50 63.893 63.537 0.356 1 1 529 . 8 1 1 A 50 50 ILE CB C 50 36.668 38.441 -1.773 1 1 533 . 8 1 1 A 50 50 ILE N N 50 117.237 119.700 -2.463 1 1 534 . 8 1 1 A 51 51 SER H H 51 7.870 8.232 -0.362 1 1 535 . 8 1 1 A 51 51 SER HA H 51 4.203 4.725 -0.522 1 1 538 . 8 1 1 A 51 51 SER C C 51 177.413 174.065 3.348 1 1 539 . 8 1 1 A 51 51 SER CA C 51 61.003 57.146 3.857 1 1 540 . 8 1 1 A 51 51 SER CB C 51 62.711 63.687 -0.976 1 1 541 . 8 1 1 A 51 51 SER N N 51 113.635 116.562 -2.927 1 1 542 . 8 1 1 A 52 52 ARG H H 52 8.386 8.131 0.255 1 1 543 . 8 1 1 A 52 52 ARG HA H 52 3.816 4.450 -0.634 1 1 551 . 8 1 1 A 52 52 ARG C C 52 178.788 174.634 4.154 1 1 552 . 8 1 1 A 52 52 ARG CA C 52 58.343 57.340 1.003 1 1 553 . 8 1 1 A 52 52 ARG CB C 52 30.053 32.815 -2.762 1 1 556 . 8 1 1 A 52 52 ARG N N 52 120.787 123.709 -2.922 1 1 558 . 8 1 1 A 53 53 TYR H H 53 7.428 8.571 -1.143 1 1 559 . 8 1 1 A 53 53 TYR HA H 53 4.667 4.633 0.034 1 1 562 . 8 1 1 A 53 53 TYR C C 53 174.743 173.346 1.397 1 1 563 . 8 1 1 A 53 53 TYR CA C 53 57.922 56.297 1.625 1 1 564 . 8 1 1 A 53 53 TYR CB C 53 38.030 38.240 -0.210 1 1 565 . 8 1 1 A 53 53 TYR N N 53 115.269 119.333 -4.064 1 1 566 . 8 1 1 A 54 54 ARG H H 54 7.775 8.014 -0.239 1 1 567 . 8 1 1 A 54 54 ARG HA H 54 4.249 4.674 -0.425 1 1 570 . 8 1 1 A 54 54 ARG C C 54 177.121 175.201 1.920 1 1 571 . 8 1 1 A 54 54 ARG CA C 54 58.720 54.016 4.704 1 1 572 . 8 1 1 A 54 54 ARG CB C 54 29.345 32.551 -3.206 1 1 573 . 8 1 1 A 54 54 ARG N N 54 120.518 119.915 0.603 1 1 574 . 8 1 1 A 55 55 ARG H H 55 8.319 9.212 -0.893 1 1 575 . 8 1 1 A 55 55 ARG HA H 55 4.249 3.075 1.174 1 1 577 . 8 1 1 A 55 55 ARG C C 55 177.395 176.156 1.239 1 1 578 . 8 1 1 A 55 55 ARG CA C 55 56.766 56.378 0.388 1 1 579 . 8 1 1 A 55 55 ARG CB C 55 29.231 28.714 0.517 1 1 580 . 8 1 1 A 55 55 ARG N N 55 119.094 120.025 -0.931 1 1 581 . 8 1 1 A 56 56 LYS H H 56 8.062 7.752 0.310 1 1 582 . 8 1 1 A 56 56 LYS HA H 56 4.069 4.230 -0.161 1 1 588 . 8 1 1 A 56 56 LYS C C 56 177.177 177.758 -0.581 1 1 589 . 8 1 1 A 56 56 LYS CA C 56 56.740 58.835 -2.095 1 1 590 . 8 1 1 A 56 56 LYS CB C 56 31.291 33.414 -2.123 1 1 594 . 8 1 1 A 56 56 LYS N N 56 121.271 127.101 -5.830 1 1 595 . 8 1 1 A 57 57 GLY H H 57 8.138 7.573 0.565 1 1 596 . 8 1 1 A 57 57 GLY HA2 H 57 4.055 3.988 0.067 1 1 597 . 8 1 1 A 57 57 GLY HA3 H 57 3.766 3.994 -0.228 1 1 598 . 8 1 1 A 57 57 GLY C C 57 174.196 174.225 -0.029 1 1 599 . 8 1 1 A 57 57 GLY CA C 57 45.336 45.542 -0.206 1 1 600 . 8 1 1 A 57 57 GLY N N 57 108.747 105.707 3.040 1 1 601 . 8 1 1 A 58 58 ASP H H 58 7.937 8.142 -0.205 1 1 602 . 8 1 1 A 58 58 ASP HA H 58 4.571 4.270 0.301 1 1 604 . 8 1 1 A 58 58 ASP CA C 58 54.548 54.910 -0.362 1 1 605 . 8 1 1 A 58 58 ASP CB C 58 40.254 39.017 1.237 1 1 606 . 8 1 1 A 58 58 ASP N N 58 121.456 119.819 1.637 1 1 607 . 8 1 1 A 59 59 ALA H H 59 8.150 7.749 0.401 1 1 608 . 8 1 1 A 59 59 ALA HA H 59 4.178 4.010 0.168 1 1 612 . 8 1 1 A 59 59 ALA C C 59 177.927 179.289 -1.362 1 1 613 . 8 1 1 A 59 59 ALA CA C 59 52.751 55.173 -2.422 1 1 614 . 8 1 1 A 59 59 ALA CB C 59 18.062 18.776 -0.714 1 1 615 . 8 1 1 A 59 59 ALA N N 59 123.316 122.395 0.921 1 1 616 . 8 1 1 A 60 60 GLY H H 60 8.190 7.809 0.381 1 1 617 . 8 1 1 A 60 60 GLY HA2 H 60 3.954 4.097 -0.143 1 1 618 . 8 1 1 A 60 60 GLY HA3 H 60 3.962 4.099 -0.137 1 1 619 . 8 1 1 A 60 60 GLY C C 60 174.572 175.559 -0.987 1 1 620 . 8 1 1 A 60 60 GLY CA C 60 45.301 45.753 -0.452 1 1 621 . 8 1 1 A 60 60 GLY N N 60 107.588 105.363 2.225 1 1 622 . 8 1 1 A 61 61 GLY H H 61 8.014 7.437 0.577 1 1 623 . 8 1 1 A 61 61 GLY HA2 H 61 4.068 4.142 -0.074 1 1 624 . 8 1 1 A 61 61 GLY HA3 H 61 3.882 4.154 -0.272 1 1 625 . 8 1 1 A 61 61 GLY C C 61 173.560 174.302 -0.742 1 1 626 . 8 1 1 A 61 61 GLY CA C 61 44.784 45.591 -0.807 1 1 627 . 8 1 1 A 61 61 GLY N N 61 108.839 105.408 3.431 1 1 628 . 8 1 1 A 62 62 LEU H H 62 8.038 7.742 0.296 1 1 629 . 8 1 1 A 62 62 LEU HA H 62 4.528 4.260 0.268 1 1 636 . 8 1 1 A 62 62 LEU C C 62 177.058 176.871 0.187 1 1 637 . 8 1 1 A 62 62 LEU CA C 62 54.038 55.987 -1.949 1 1 638 . 8 1 1 A 62 62 LEU CB C 62 42.254 42.644 -0.390 1 1 641 . 8 1 1 A 62 62 LEU N N 62 122.191 121.661 0.530 1 1 642 . 8 1 1 A 63 63 LYS H H 63 9.378 8.733 0.645 1 1 643 . 8 1 1 A 63 63 LYS HA H 63 4.223 4.390 -0.167 1 1 647 . 8 1 1 A 63 63 LYS C C 63 179.928 179.020 0.908 1 1 648 . 8 1 1 A 63 63 LYS CA C 63 58.665 57.687 0.978 1 1 649 . 8 1 1 A 63 63 LYS CB C 63 31.663 33.017 -1.354 1 1 651 . 8 1 1 A 63 63 LYS N N 63 129.582 126.882 2.700 1 1 652 . 8 1 1 A 64 64 SER H H 64 10.250 8.479 1.771 1 1 653 . 8 1 1 A 64 64 SER HA H 64 4.169 4.253 -0.084 1 1 656 . 8 1 1 A 64 64 SER C C 64 175.569 176.692 -1.123 1 1 657 . 8 1 1 A 64 64 SER CA C 64 61.010 61.344 -0.334 1 1 658 . 8 1 1 A 64 64 SER N N 64 117.647 114.182 3.465 1 1 659 . 8 1 1 A 65 65 PHE H H 65 7.035 8.318 -1.283 1 1 660 . 8 1 1 A 65 65 PHE HA H 65 4.444 4.162 0.282 1 1 663 . 8 1 1 A 65 65 PHE C C 65 176.884 177.330 -0.446 1 1 664 . 8 1 1 A 65 65 PHE CA C 65 61.911 61.748 0.163 1 1 665 . 8 1 1 A 65 65 PHE CB C 65 38.861 39.320 -0.459 1 1 666 . 8 1 1 A 65 65 PHE N N 65 123.056 122.572 0.484 1 1 667 . 8 1 1 A 66 66 THR H H 66 8.475 8.224 0.251 1 1 668 . 8 1 1 A 66 66 THR HA H 66 3.932 3.679 0.253 1 1 673 . 8 1 1 A 66 66 THR C C 66 176.884 176.532 0.352 1 1 674 . 8 1 1 A 66 66 THR CA C 66 66.236 66.440 -0.204 1 1 675 . 8 1 1 A 66 66 THR CB C 66 67.993 68.603 -0.610 1 1 677 . 8 1 1 A 66 66 THR N N 66 115.996 115.235 0.761 1 1 678 . 8 1 1 A 67 67 THR H H 67 8.100 8.134 -0.034 1 1 679 . 8 1 1 A 67 67 THR HA H 67 3.979 4.164 -0.185 1 1 684 . 8 1 1 A 67 67 THR CA C 67 66.516 66.499 0.017 1 1 685 . 8 1 1 A 67 67 THR CB C 67 68.188 67.959 0.229 1 1 687 . 8 1 1 A 67 67 THR N N 67 120.365 115.479 4.886 1 1 688 . 8 1 1 A 68 68 MET H H 68 8.134 8.034 0.100 1 1 689 . 8 1 1 A 68 68 MET HA H 68 4.429 3.821 0.608 1 1 697 . 8 1 1 A 68 68 MET C C 68 177.682 178.651 -0.969 1 1 698 . 8 1 1 A 68 68 MET CA C 68 56.239 58.958 -2.719 1 1 699 . 8 1 1 A 68 68 MET CB C 68 30.516 32.244 -1.728 1 1 702 . 8 1 1 A 68 68 MET N N 68 120.545 119.122 1.423 1 1 703 . 8 1 1 A 69 69 GLN H H 69 9.139 7.118 2.021 1 1 704 . 8 1 1 A 69 69 GLN HA H 69 3.694 4.009 -0.315 1 1 711 . 8 1 1 A 69 69 GLN C C 69 177.433 178.157 -0.724 1 1 712 . 8 1 1 A 69 69 GLN CA C 69 59.779 57.967 1.812 1 1 713 . 8 1 1 A 69 69 GLN CB C 69 28.547 27.899 0.648 1 1 715 . 8 1 1 A 69 69 GLN N N 69 120.358 117.729 2.629 1 1 717 . 8 1 1 A 70 70 THR H H 70 7.809 7.560 0.249 1 1 718 . 8 1 1 A 70 70 THR HA H 70 3.979 3.899 0.080 1 1 723 . 8 1 1 A 70 70 THR C C 70 176.394 176.329 0.065 1 1 724 . 8 1 1 A 70 70 THR CA C 70 66.028 66.463 -0.435 1 1 725 . 8 1 1 A 70 70 THR CB C 70 68.198 68.904 -0.706 1 1 727 . 8 1 1 A 70 70 THR N N 70 116.198 116.739 -0.541 1 1 728 . 8 1 1 A 71 71 ALA H H 71 7.859 8.754 -0.895 1 1 729 . 8 1 1 A 71 71 ALA HA H 71 3.994 4.077 -0.083 1 1 733 . 8 1 1 A 71 71 ALA CA C 71 54.902 55.024 -0.122 1 1 734 . 8 1 1 A 71 71 ALA CB C 71 17.926 18.275 -0.349 1 1 735 . 8 1 1 A 71 71 ALA N N 71 126.667 124.172 2.495 1 1 736 . 8 1 1 A 72 72 LEU H H 72 9.261 7.910 1.351 1 1 737 . 8 1 1 A 72 72 LEU HA H 72 3.915 3.884 0.031 1 1 743 . 8 1 1 A 72 72 LEU C C 72 179.219 179.134 0.085 1 1 744 . 8 1 1 A 72 72 LEU CA C 72 58.406 58.157 0.249 1 1 745 . 8 1 1 A 72 72 LEU CB C 72 38.744 41.696 -2.952 1 1 747 . 8 1 1 A 72 72 LEU N N 72 119.657 120.020 -0.363 1 1 748 . 8 1 1 A 73 73 ASN H H 73 8.542 7.690 0.852 1 1 749 . 8 1 1 A 73 73 ASN HA H 73 4.606 4.463 0.143 1 1 754 . 8 1 1 A 73 73 ASN CA C 73 55.711 56.072 -0.361 1 1 755 . 8 1 1 A 73 73 ASN CB C 73 37.398 37.990 -0.592 1 1 756 . 8 1 1 A 73 73 ASN N N 73 118.851 117.954 0.897 1 1 758 . 8 1 1 A 74 74 SER H H 74 7.849 7.924 -0.075 1 1 759 . 8 1 1 A 74 74 SER HA H 74 4.379 4.212 0.167 1 1 762 . 8 1 1 A 74 74 SER C C 74 175.881 176.856 -0.975 1 1 763 . 8 1 1 A 74 74 SER CA C 74 61.405 61.582 -0.177 1 1 764 . 8 1 1 A 74 74 SER N N 74 118.042 115.822 2.220 1 1 765 . 8 1 1 A 75 75 LEU H H 75 8.084 8.936 -0.852 1 1 766 . 8 1 1 A 75 75 LEU HA H 75 4.181 4.088 0.093 1 1 773 . 8 1 1 A 75 75 LEU C C 75 176.899 179.104 -2.205 1 1 774 . 8 1 1 A 75 75 LEU CA C 75 56.746 58.002 -1.256 1 1 775 . 8 1 1 A 75 75 LEU CB C 75 41.896 41.468 0.428 1 1 777 . 8 1 1 A 75 75 LEU N N 75 124.099 118.844 5.255 1 1 778 . 8 1 1 A 76 76 ALA H H 76 8.695 7.869 0.826 1 1 779 . 8 1 1 A 76 76 ALA HA H 76 4.134 4.177 -0.043 1 1 783 . 8 1 1 A 76 76 ALA C C 76 180.159 180.079 0.080 1 1 784 . 8 1 1 A 76 76 ALA CA C 76 55.315 55.086 0.229 1 1 785 . 8 1 1 A 76 76 ALA CB C 76 17.624 18.364 -0.740 1 1 786 . 8 1 1 A 76 76 ALA N N 76 121.934 122.478 -0.544 1 1 787 . 8 1 1 A 77 77 GLY H H 77 8.198 8.659 -0.461 1 1 788 . 8 1 1 A 77 77 GLY HA2 H 77 3.917 3.649 0.268 1 1 789 . 8 1 1 A 77 77 GLY HA3 H 77 3.925 3.669 0.256 1 1 790 . 8 1 1 A 77 77 GLY C C 77 175.177 175.580 -0.403 1 1 791 . 8 1 1 A 77 77 GLY CA C 77 46.066 47.179 -1.113 1 1 792 . 8 1 1 A 77 77 GLY N N 77 105.613 105.791 -0.178 1 1 793 . 8 1 1 A 78 78 TYR H H 78 7.973 7.731 0.242 1 1 794 . 8 1 1 A 78 78 TYR HA H 78 4.326 4.186 0.140 1 1 797 . 8 1 1 A 78 78 TYR C C 78 176.705 177.655 -0.950 1 1 798 . 8 1 1 A 78 78 TYR CA C 78 61.280 60.716 0.564 1 1 799 . 8 1 1 A 78 78 TYR CB C 78 37.737 38.740 -1.003 1 1 800 . 8 1 1 A 78 78 TYR N N 78 123.680 123.572 0.108 1 1 801 . 8 1 1 A 79 79 TYR H H 79 8.347 8.033 0.314 1 1 802 . 8 1 1 A 79 79 TYR HA H 79 4.750 3.753 0.997 1 1 805 . 8 1 1 A 79 79 TYR C C 79 178.135 177.388 0.747 1 1 806 . 8 1 1 A 79 79 TYR CA C 79 57.389 60.394 -3.005 1 1 807 . 8 1 1 A 79 79 TYR CB C 79 36.796 38.560 -1.764 1 1 808 . 8 1 1 A 79 79 TYR N N 79 119.870 119.994 -0.124 1 1 809 . 8 1 1 A 80 80 THR H H 80 8.180 7.576 0.604 1 1 810 . 8 1 1 A 80 80 THR HA H 80 4.208 3.682 0.526 1 1 815 . 8 1 1 A 80 80 THR C C 80 175.302 175.132 0.170 1 1 816 . 8 1 1 A 80 80 THR CA C 80 64.276 66.063 -1.787 1 1 817 . 8 1 1 A 80 80 THR CB C 80 69.098 68.544 0.554 1 1 819 . 8 1 1 A 80 80 THR N N 80 114.967 115.849 -0.882 1 1 820 . 8 1 1 A 81 81 SER H H 81 8.027 7.802 0.225 1 1 821 . 8 1 1 A 81 81 SER HA H 81 4.214 4.543 -0.329 1 1 824 . 8 1 1 A 81 81 SER C C 81 174.305 174.379 -0.074 1 1 825 . 8 1 1 A 81 81 SER CA C 81 60.578 57.323 3.255 1 1 826 . 8 1 1 A 81 81 SER CB C 81 63.385 65.600 -2.215 1 1 827 . 8 1 1 A 81 81 SER N N 81 116.664 112.831 3.833 1 1 828 . 8 1 1 A 82 82 TYR H H 82 8.396 8.075 0.321 1 1 829 . 8 1 1 A 82 82 TYR HA H 82 4.612 4.071 0.541 1 1 832 . 8 1 1 A 82 82 TYR C C 82 176.069 176.392 -0.323 1 1 833 . 8 1 1 A 82 82 TYR CA C 82 57.676 61.481 -3.805 1 1 834 . 8 1 1 A 82 82 TYR CB C 82 38.160 39.091 -0.931 1 1 835 . 8 1 1 A 82 82 TYR N N 82 119.325 121.619 -2.294 1 1 836 . 8 1 1 A 83 83 GLY H H 83 7.982 7.837 0.145 1 1 837 . 8 1 1 A 83 83 GLY HA2 H 83 4.021 4.122 -0.101 1 1 838 . 8 1 1 A 83 83 GLY HA3 H 83 3.877 4.152 -0.275 1 1 839 . 8 1 1 A 83 83 GLY C C 83 178.820 174.425 4.395 1 1 840 . 8 1 1 A 83 83 GLY CA C 83 46.170 43.733 2.437 1 1 841 . 8 1 1 A 83 83 GLY N N 83 111.287 105.273 6.014 1 1 842 . 8 1 1 A 84 84 ALA H H 84 8.505 8.292 0.213 1 1 843 . 8 1 1 A 84 84 ALA HA H 84 4.619 4.471 0.148 1 1 847 . 8 1 1 A 84 84 ALA C C 84 176.933 177.145 -0.212 1 1 848 . 8 1 1 A 84 84 ALA CA C 84 51.514 52.115 -0.601 1 1 849 . 8 1 1 A 84 84 ALA CB C 84 18.109 18.040 0.069 1 1 850 . 8 1 1 A 84 84 ALA N N 84 126.408 123.322 3.086 1 1 851 . 8 1 1 A 85 85 ARG H H 85 8.057 8.111 -0.054 1 1 852 . 8 1 1 A 85 85 ARG HA H 85 4.696 4.564 0.132 1 1 854 . 8 1 1 A 85 85 ARG CA C 85 53.887 54.042 -0.155 1 1 855 . 8 1 1 A 85 85 ARG CB C 85 30.500 29.270 1.230 1 1 856 . 8 1 1 A 85 85 ARG N N 85 123.060 118.675 4.385 1 1 857 . 8 1 1 A 86 86 PRO HA H 86 4.426 4.359 0.067 1 1 862 . 8 1 1 A 86 86 PRO CA C 86 62.541 63.259 -0.718 1 1 863 . 8 1 1 A 86 86 PRO CB C 86 31.477 31.781 -0.304 1 1 864 . 8 1 1 A 87 87 ILE H H 87 8.449 8.276 0.173 1 1 865 . 8 1 1 A 87 87 ILE HA H 87 3.821 3.965 -0.144 1 1 875 . 8 1 1 A 87 87 ILE CA C 87 58.300 60.148 -1.848 1 1 876 . 8 1 1 A 87 87 ILE CB C 87 37.630 37.942 -0.312 1 1 880 . 8 1 1 A 87 87 ILE N N 87 125.558 124.000 1.558 1 1 881 . 8 1 1 A 88 88 PRO HA H 88 4.425 4.445 -0.020 1 1 884 . 8 1 1 A 88 88 PRO C C 88 177.001 177.602 -0.601 1 1 885 . 8 1 1 A 88 88 PRO CA C 88 62.298 63.136 -0.838 1 1 886 . 8 1 1 A 88 88 PRO CB C 88 32.070 32.680 -0.610 1 1 887 . 8 1 1 A 89 89 GLU H H 89 8.861 8.614 0.247 1 1 888 . 8 1 1 A 89 89 GLU HA H 89 3.871 3.926 -0.055 1 1 891 . 8 1 1 A 89 89 GLU C C 89 177.756 178.509 -0.753 1 1 892 . 8 1 1 A 89 89 GLU CA C 89 59.711 59.991 -0.280 1 1 893 . 8 1 1 A 89 89 GLU CB C 89 29.119 29.420 -0.301 1 1 894 . 8 1 1 A 89 89 GLU N N 89 125.518 122.441 3.077 1 1 895 . 8 1 1 A 90 90 LYS H H 90 8.827 7.790 1.037 1 1 896 . 8 1 1 A 90 90 LYS HA H 90 3.969 4.064 -0.095 1 1 899 . 8 1 1 A 90 90 LYS C C 90 178.672 179.434 -0.762 1 1 900 . 8 1 1 A 90 90 LYS CA C 90 59.423 59.224 0.199 1 1 901 . 8 1 1 A 90 90 LYS CB C 90 31.820 32.398 -0.578 1 1 902 . 8 1 1 A 90 90 LYS N N 90 117.281 119.977 -2.696 1 1 903 . 8 1 1 A 91 91 LEU H H 91 6.857 8.034 -1.177 1 1 904 . 8 1 1 A 91 91 LEU HA H 91 4.212 4.081 0.131 1 1 911 . 8 1 1 A 91 91 LEU CA C 91 56.390 57.787 -1.397 1 1 912 . 8 1 1 A 91 91 LEU CB C 91 40.627 41.406 -0.779 1 1 915 . 8 1 1 A 91 91 LEU N N 91 120.818 119.865 0.953 1 1 916 . 8 1 1 A 92 92 LYS H H 92 8.156 8.864 -0.708 1 1 917 . 8 1 1 A 92 92 LYS HA H 92 3.558 3.864 -0.306 1 1 925 . 8 1 1 A 92 92 LYS C C 92 177.480 178.734 -1.254 1 1 926 . 8 1 1 A 92 92 LYS CA C 92 60.613 59.875 0.738 1 1 927 . 8 1 1 A 92 92 LYS CB C 92 31.812 32.608 -0.796 1 1 931 . 8 1 1 A 92 92 LYS N N 92 120.663 119.032 1.631 1 1 932 . 8 1 1 A 93 93 LYS H H 93 8.156 9.081 -0.925 1 1 933 . 8 1 1 A 93 93 LYS HA H 93 4.032 3.927 0.105 1 1 936 . 8 1 1 A 93 93 LYS C C 93 178.757 178.682 0.075 1 1 937 . 8 1 1 A 93 93 LYS CA C 93 58.546 59.644 -1.098 1 1 938 . 8 1 1 A 93 93 LYS CB C 93 31.726 32.475 -0.749 1 1 939 . 8 1 1 A 93 93 LYS N N 93 116.478 118.663 -2.185 1 1 940 . 8 1 1 A 94 94 ARG H H 94 7.287 8.052 -0.765 1 1 941 . 8 1 1 A 94 94 ARG HA H 94 4.032 4.060 -0.028 1 1 948 . 8 1 1 A 94 94 ARG C C 94 177.872 179.076 -1.204 1 1 949 . 8 1 1 A 94 94 ARG CA C 94 58.639 59.181 -0.542 1 1 950 . 8 1 1 A 94 94 ARG CB C 94 29.490 29.716 -0.226 1 1 953 . 8 1 1 A 94 94 ARG N N 94 120.980 119.492 1.488 1 1 955 . 8 1 1 A 95 95 LEU H H 95 8.365 9.608 -1.243 1 1 956 . 8 1 1 A 95 95 LEU HA H 95 3.597 4.002 -0.405 1 1 960 . 8 1 1 A 95 95 LEU C C 95 177.342 179.665 -2.323 1 1 961 . 8 1 1 A 95 95 LEU CA C 95 57.009 58.055 -1.046 1 1 962 . 8 1 1 A 95 95 LEU CB C 95 40.718 41.321 -0.603 1 1 964 . 8 1 1 A 95 95 LEU N N 95 119.611 119.774 -0.163 1 1 965 . 8 1 1 A 96 96 GLN H H 96 8.126 9.333 -1.207 1 1 966 . 8 1 1 A 96 96 GLN HA H 96 4.033 4.076 -0.043 1 1 972 . 8 1 1 A 96 96 GLN C C 96 179.502 178.232 1.270 1 1 973 . 8 1 1 A 96 96 GLN CA C 96 58.743 58.981 -0.238 1 1 974 . 8 1 1 A 96 96 GLN CB C 96 27.315 28.500 -1.185 1 1 976 . 8 1 1 A 96 96 GLN N N 96 115.986 119.356 -3.370 1 1 978 . 8 1 1 A 97 97 LEU H H 97 7.574 9.117 -1.543 1 1 979 . 8 1 1 A 97 97 LEU HA H 97 4.176 4.119 0.057 1 1 983 . 8 1 1 A 97 97 LEU CA C 97 57.816 57.741 0.075 1 1 984 . 8 1 1 A 97 97 LEU CB C 97 41.107 42.051 -0.944 1 1 985 . 8 1 1 A 97 97 LEU N N 97 121.721 121.157 0.564 1 1 986 . 8 1 1 A 98 98 GLU H H 98 8.180 9.342 -1.162 1 1 987 . 8 1 1 A 98 98 GLU HA H 98 3.970 3.960 0.010 1 1 989 . 8 1 1 A 98 98 GLU C C 98 178.852 178.873 -0.021 1 1 990 . 8 1 1 A 98 98 GLU CA C 98 59.074 59.535 -0.461 1 1 991 . 8 1 1 A 98 98 GLU CB C 98 28.376 29.227 -0.851 1 1 992 . 8 1 1 A 98 98 GLU N N 98 122.418 119.438 2.980 1 1 993 . 8 1 1 A 99 99 PHE H H 99 8.995 9.314 -0.319 1 1 994 . 8 1 1 A 99 99 PHE HA H 99 4.560 4.081 0.479 1 1 997 . 8 1 1 A 99 99 PHE C C 99 178.050 177.970 0.080 1 1 998 . 8 1 1 A 99 99 PHE CA C 99 57.595 61.442 -3.847 1 1 999 . 8 1 1 A 99 99 PHE CB C 99 36.788 39.162 -2.374 1 1 1000 . 8 1 1 A 99 99 PHE N N 99 118.943 120.730 -1.787 1 1 1001 . 8 1 1 A 100 100 THR H H 100 7.985 9.324 -1.339 1 1 1002 . 8 1 1 A 100 100 THR HA H 100 4.097 4.149 -0.052 1 1 1007 . 8 1 1 A 100 100 THR CA C 100 66.567 65.576 0.991 1 1 1008 . 8 1 1 A 100 100 THR CB C 100 68.200 68.741 -0.541 1 1 1010 . 8 1 1 A 100 100 THR N N 100 117.633 113.778 3.855 1 1 1011 . 8 1 1 A 101 101 GLN H H 101 8.160 9.221 -1.061 1 1 1012 . 8 1 1 A 101 101 GLN HA H 101 4.017 4.092 -0.075 1 1 1018 . 8 1 1 A 101 101 GLN C C 101 179.034 177.560 1.474 1 1 1019 . 8 1 1 A 101 101 GLN CA C 101 58.649 57.111 1.538 1 1 1020 . 8 1 1 A 101 101 GLN CB C 101 27.541 29.152 -1.611 1 1 1022 . 8 1 1 A 101 101 GLN N N 101 122.138 120.322 1.816 1 1 1024 . 8 1 1 A 102 102 ALA H H 102 8.768 8.860 -0.092 1 1 1025 . 8 1 1 A 102 102 ALA HA H 102 4.036 4.182 -0.146 1 1 1029 . 8 1 1 A 102 102 ALA C C 102 178.466 178.808 -0.342 1 1 1030 . 8 1 1 A 102 102 ALA CA C 102 55.525 54.899 0.626 1 1 1031 . 8 1 1 A 102 102 ALA CB C 102 18.046 19.090 -1.044 1 1 1032 . 8 1 1 A 102 102 ALA N N 102 124.541 122.338 2.203 1 1 1033 . 8 1 1 A 103 103 GLU H H 103 8.552 9.307 -0.755 1 1 1034 . 8 1 1 A 103 103 GLU HA H 103 3.680 3.807 -0.127 1 1 1039 . 8 1 1 A 103 103 GLU C C 103 178.447 178.501 -0.054 1 1 1040 . 8 1 1 A 103 103 GLU CA C 103 59.802 59.180 0.622 1 1 1041 . 8 1 1 A 103 103 GLU CB C 103 29.672 28.748 0.924 1 1 1043 . 8 1 1 A 103 103 GLU N N 103 120.048 118.751 1.297 1 1 1044 . 8 1 1 A 104 104 ARG H H 104 8.242 8.476 -0.234 1 1 1045 . 8 1 1 A 104 104 ARG HA H 104 4.214 4.041 0.173 1 1 1048 . 8 1 1 A 104 104 ARG C C 104 178.958 178.611 0.347 1 1 1049 . 8 1 1 A 104 104 ARG CA C 104 58.135 59.396 -1.261 1 1 1050 . 8 1 1 A 104 104 ARG CB C 104 29.742 30.002 -0.260 1 1 1051 . 8 1 1 A 104 104 ARG N N 104 119.448 120.070 -0.622 1 1 1052 . 8 1 1 A 105 105 SER H H 105 8.087 7.510 0.577 1 1 1053 . 8 1 1 A 105 105 SER HA H 105 4.290 4.364 -0.074 1 1 1056 . 8 1 1 A 105 105 SER CA C 105 61.917 61.120 0.797 1 1 1057 . 8 1 1 A 105 105 SER N N 105 117.329 114.020 3.309 1 1 1058 . 8 1 1 A 106 106 ILE H H 106 8.403 7.960 0.443 1 1 1059 . 8 1 1 A 106 106 ILE HA H 106 4.113 3.544 0.569 1 1 1069 . 8 1 1 A 106 106 ILE CA C 106 61.487 65.482 -3.995 1 1 1070 . 8 1 1 A 106 106 ILE CB C 106 35.600 37.762 -2.162 1 1 1074 . 8 1 1 A 106 106 ILE N N 106 124.394 121.178 3.216 1 1 1075 . 8 1 1 A 107 107 GLU H H 107 8.187 7.891 0.296 1 1 1076 . 8 1 1 A 107 107 GLU HA H 107 4.126 4.237 -0.111 1 1 1079 . 8 1 1 A 107 107 GLU C C 107 177.494 176.100 1.394 1 1 1080 . 8 1 1 A 107 107 GLU CA C 107 58.849 57.952 0.897 1 1 1081 . 8 1 1 A 107 107 GLU CB C 107 29.052 30.214 -1.162 1 1 1082 . 8 1 1 A 107 107 GLU N N 107 123.223 120.636 2.587 1 1 1083 . 8 1 1 A 108 108 ARG H H 108 7.651 8.049 -0.398 1 1 1084 . 8 1 1 A 108 108 ARG HA H 108 4.431 4.032 0.399 1 1 1090 . 8 1 1 A 108 108 ARG C C 108 175.927 176.860 -0.933 1 1 1091 . 8 1 1 A 108 108 ARG CA C 108 55.584 56.940 -1.356 1 1 1092 . 8 1 1 A 108 108 ARG CB C 108 30.806 28.827 1.979 1 1 1094 . 8 1 1 A 108 108 ARG N N 108 117.394 119.878 -2.484 1 1 1095 . 8 1 1 A 109 109 GLY H H 109 8.190 8.326 -0.136 1 1 1096 . 8 1 1 A 109 109 GLY HA2 H 109 4.141 4.042 0.099 1 1 1097 . 8 1 1 A 109 109 GLY HA3 H 109 4.060 4.043 0.017 1 1 1098 . 8 1 1 A 109 109 GLY C C 109 174.031 174.800 -0.769 1 1 1099 . 8 1 1 A 109 109 GLY CA C 109 45.823 45.357 0.466 1 1 1100 . 8 1 1 A 109 109 GLY N N 109 110.712 111.818 -1.106 1 1 7 . 9 1 1 A 2 2 ASP H H 2 8.644 7.974 0.670 1 1 8 . 9 1 1 A 2 2 ASP HA H 2 4.373 4.740 -0.367 1 1 11 . 9 1 1 A 2 2 ASP C C 2 178.938 176.201 2.737 1 1 12 . 9 1 1 A 2 2 ASP CA C 2 53.794 54.806 -1.012 1 1 13 . 9 1 1 A 2 2 ASP CB C 2 41.025 43.384 -2.359 1 1 14 . 9 1 1 A 2 2 ASP N N 2 122.106 119.660 2.446 1 1 15 . 9 1 1 A 3 3 SER H H 3 8.508 7.643 0.865 1 1 16 . 9 1 1 A 3 3 SER HA H 3 4.331 4.194 0.137 1 1 19 . 9 1 1 A 3 3 SER C C 3 174.777 174.766 0.011 1 1 20 . 9 1 1 A 3 3 SER CA C 3 58.141 59.802 -1.661 1 1 21 . 9 1 1 A 3 3 SER CB C 3 63.359 63.647 -0.288 1 1 22 . 9 1 1 A 3 3 SER N N 3 117.604 114.630 2.974 1 1 23 . 9 1 1 A 4 4 GLY H H 4 8.603 8.623 -0.020 1 1 24 . 9 1 1 A 4 4 GLY HA2 H 4 4.130 4.205 -0.075 1 1 25 . 9 1 1 A 4 4 GLY HA3 H 4 4.076 4.207 -0.131 1 1 26 . 9 1 1 A 4 4 GLY C C 4 174.283 172.618 1.665 1 1 27 . 9 1 1 A 4 4 GLY CA C 4 45.054 44.319 0.735 1 1 28 . 9 1 1 A 4 4 GLY N N 4 111.842 111.592 0.250 1 1 29 . 9 1 1 A 5 5 THR H H 5 8.140 8.544 -0.404 1 1 30 . 9 1 1 A 5 5 THR HA H 5 4.371 4.743 -0.372 1 1 35 . 9 1 1 A 5 5 THR C C 5 174.827 173.309 1.518 1 1 36 . 9 1 1 A 5 5 THR CA C 5 61.515 61.059 0.456 1 1 37 . 9 1 1 A 5 5 THR CB C 5 69.683 71.754 -2.071 1 1 39 . 9 1 1 A 5 5 THR N N 5 112.188 113.714 -1.526 1 1 40 . 9 1 1 A 6 6 GLY H H 6 8.425 8.219 0.206 1 1 41 . 9 1 1 A 6 6 GLY HA2 H 6 4.109 4.113 -0.004 1 1 42 . 9 1 1 A 6 6 GLY HA3 H 6 3.875 4.129 -0.254 1 1 43 . 9 1 1 A 6 6 GLY C C 6 173.670 174.394 -0.724 1 1 44 . 9 1 1 A 6 6 GLY CA C 6 44.466 45.371 -0.905 1 1 45 . 9 1 1 A 6 6 GLY N N 6 110.955 111.452 -0.497 1 1 46 . 9 1 1 A 7 7 LEU H H 7 7.993 7.252 0.741 1 1 47 . 9 1 1 A 7 7 LEU HA H 7 4.503 4.146 0.357 1 1 53 . 9 1 1 A 7 7 LEU C C 7 177.284 176.657 0.627 1 1 54 . 9 1 1 A 7 7 LEU CA C 7 54.741 55.992 -1.251 1 1 55 . 9 1 1 A 7 7 LEU CB C 7 39.284 42.720 -3.436 1 1 58 . 9 1 1 A 7 7 LEU N N 7 121.268 121.450 -0.182 1 1 59 . 9 1 1 A 8 8 THR H H 8 10.385 8.467 1.918 1 1 60 . 9 1 1 A 8 8 THR HA H 8 4.521 3.901 0.620 1 1 65 . 9 1 1 A 8 8 THR C C 8 176.965 173.768 3.197 1 1 66 . 9 1 1 A 8 8 THR CA C 8 64.563 61.523 3.040 1 1 67 . 9 1 1 A 8 8 THR CB C 8 71.946 70.469 1.477 1 1 69 . 9 1 1 A 8 8 THR N N 8 113.472 117.409 -3.937 1 1 70 . 9 1 1 A 9 9 GLY H H 9 9.733 7.639 2.094 1 1 71 . 9 1 1 A 9 9 GLY HA2 H 9 4.391 3.605 0.786 1 1 72 . 9 1 1 A 9 9 GLY HA3 H 9 3.805 3.895 -0.090 1 1 73 . 9 1 1 A 9 9 GLY C C 9 173.133 174.801 -1.668 1 1 74 . 9 1 1 A 9 9 GLY CA C 9 45.453 46.766 -1.313 1 1 75 . 9 1 1 A 9 9 GLY N N 9 114.948 109.940 5.008 1 1 76 . 9 1 1 A 10 10 ASN H H 10 7.664 7.726 -0.062 1 1 77 . 9 1 1 A 10 10 ASN HA H 10 4.906 4.363 0.543 1 1 82 . 9 1 1 A 10 10 ASN C C 10 173.098 175.115 -2.017 1 1 83 . 9 1 1 A 10 10 ASN CA C 10 51.504 53.587 -2.083 1 1 84 . 9 1 1 A 10 10 ASN CB C 10 38.449 39.479 -1.030 1 1 85 . 9 1 1 A 10 10 ASN N N 10 120.991 116.983 4.008 1 1 87 . 9 1 1 A 11 11 TYR H H 11 8.892 8.174 0.718 1 1 88 . 9 1 1 A 11 11 TYR HA H 11 3.767 4.739 -0.972 1 1 91 . 9 1 1 A 11 11 TYR C C 11 177.871 177.172 0.699 1 1 92 . 9 1 1 A 11 11 TYR CA C 11 61.897 57.924 3.973 1 1 93 . 9 1 1 A 11 11 TYR CB C 11 38.099 38.873 -0.774 1 1 94 . 9 1 1 A 11 11 TYR N N 11 128.653 120.812 7.841 1 1 95 . 9 1 1 A 12 12 SER H H 12 8.729 8.948 -0.219 1 1 96 . 9 1 1 A 12 12 SER HA H 12 3.747 4.155 -0.408 1 1 99 . 9 1 1 A 12 12 SER C C 12 174.675 176.821 -2.146 1 1 100 . 9 1 1 A 12 12 SER CA C 12 62.371 61.639 0.732 1 1 101 . 9 1 1 A 12 12 SER CB C 12 61.600 62.569 -0.969 1 1 102 . 9 1 1 A 12 12 SER N N 12 119.446 117.024 2.422 1 1 103 . 9 1 1 A 13 13 GLN H H 13 7.645 8.020 -0.375 1 1 104 . 9 1 1 A 13 13 GLN HA H 13 3.955 4.005 -0.050 1 1 110 . 9 1 1 A 13 13 GLN C C 13 178.400 178.364 0.036 1 1 111 . 9 1 1 A 13 13 GLN CA C 13 58.083 58.880 -0.797 1 1 112 . 9 1 1 A 13 13 GLN CB C 13 28.328 28.333 -0.005 1 1 114 . 9 1 1 A 13 13 GLN N N 13 121.234 121.538 -0.304 1 1 116 . 9 1 1 A 14 14 ASP H H 14 9.314 7.900 1.414 1 1 117 . 9 1 1 A 14 14 ASP HA H 14 4.513 4.380 0.133 1 1 120 . 9 1 1 A 14 14 ASP C C 14 177.320 178.799 -1.479 1 1 121 . 9 1 1 A 14 14 ASP CA C 14 56.778 57.186 -0.408 1 1 122 . 9 1 1 A 14 14 ASP CB C 14 40.380 40.409 -0.029 1 1 123 . 9 1 1 A 14 14 ASP N N 14 120.095 119.791 0.304 1 1 124 . 9 1 1 A 15 15 THR H H 15 8.283 7.871 0.412 1 1 125 . 9 1 1 A 15 15 THR HA H 15 3.637 3.836 -0.199 1 1 130 . 9 1 1 A 15 15 THR C C 15 174.455 177.276 -2.821 1 1 131 . 9 1 1 A 15 15 THR CA C 15 67.657 67.320 0.337 1 1 132 . 9 1 1 A 15 15 THR CB C 15 67.465 68.654 -1.189 1 1 134 . 9 1 1 A 15 15 THR N N 15 117.657 117.106 0.551 1 1 135 . 9 1 1 A 16 16 LEU H H 16 7.452 7.831 -0.379 1 1 136 . 9 1 1 A 16 16 LEU HA H 16 3.919 3.966 -0.047 1 1 140 . 9 1 1 A 16 16 LEU C C 16 179.666 178.897 0.769 1 1 141 . 9 1 1 A 16 16 LEU CA C 16 57.864 57.977 -0.113 1 1 142 . 9 1 1 A 16 16 LEU CB C 16 39.811 40.953 -1.142 1 1 144 . 9 1 1 A 16 16 LEU N N 16 120.034 117.923 2.111 1 1 145 . 9 1 1 A 17 17 THR H H 17 8.708 7.710 0.998 1 1 146 . 9 1 1 A 17 17 THR HA H 17 3.893 3.941 -0.048 1 1 151 . 9 1 1 A 17 17 THR C C 17 179.666 176.756 2.910 1 1 152 . 9 1 1 A 17 17 THR CA C 17 66.152 66.834 -0.682 1 1 153 . 9 1 1 A 17 17 THR CB C 17 67.921 68.784 -0.863 1 1 155 . 9 1 1 A 17 17 THR N N 17 121.382 115.209 6.173 1 1 156 . 9 1 1 A 18 18 VAL H H 18 8.194 7.978 0.216 1 1 157 . 9 1 1 A 18 18 VAL HA H 18 3.705 3.563 0.142 1 1 165 . 9 1 1 A 18 18 VAL C C 18 177.242 177.868 -0.626 1 1 166 . 9 1 1 A 18 18 VAL CA C 18 65.886 66.997 -1.111 1 1 167 . 9 1 1 A 18 18 VAL CB C 18 30.729 31.754 -1.025 1 1 170 . 9 1 1 A 18 18 VAL N N 18 123.227 121.531 1.696 1 1 171 . 9 1 1 A 19 19 ILE H H 19 7.933 8.123 -0.190 1 1 172 . 9 1 1 A 19 19 ILE HA H 19 2.633 3.722 -1.089 1 1 182 . 9 1 1 A 19 19 ILE C C 19 176.276 178.063 -1.787 1 1 183 . 9 1 1 A 19 19 ILE CA C 19 66.137 65.292 0.845 1 1 184 . 9 1 1 A 19 19 ILE CB C 19 37.782 37.243 0.539 1 1 188 . 9 1 1 A 19 19 ILE N N 19 119.786 118.703 1.083 1 1 189 . 9 1 1 A 20 20 ALA H H 20 7.782 8.505 -0.723 1 1 190 . 9 1 1 A 20 20 ALA HA H 20 3.972 4.032 -0.060 1 1 194 . 9 1 1 A 20 20 ALA C C 20 180.867 179.907 0.960 1 1 195 . 9 1 1 A 20 20 ALA CA C 20 55.170 55.093 0.077 1 1 196 . 9 1 1 A 20 20 ALA CB C 20 17.282 18.356 -1.074 1 1 197 . 9 1 1 A 20 20 ALA N N 20 121.793 123.585 -1.792 1 1 198 . 9 1 1 A 21 21 THR H H 21 8.573 7.716 0.857 1 1 199 . 9 1 1 A 21 21 THR HA H 21 3.902 3.957 -0.055 1 1 204 . 9 1 1 A 21 21 THR C C 21 176.720 177.007 -0.287 1 1 205 . 9 1 1 A 21 21 THR CA C 21 65.200 66.473 -1.273 1 1 206 . 9 1 1 A 21 21 THR CB C 21 68.092 68.179 -0.087 1 1 208 . 9 1 1 A 21 21 THR N N 21 118.393 115.072 3.321 1 1 209 . 9 1 1 A 22 22 LEU H H 22 8.583 7.756 0.827 1 1 210 . 9 1 1 A 22 22 LEU HA H 22 4.065 3.913 0.152 1 1 217 . 9 1 1 A 22 22 LEU C C 22 178.284 179.463 -1.179 1 1 218 . 9 1 1 A 22 22 LEU CA C 22 57.005 58.115 -1.110 1 1 219 . 9 1 1 A 22 22 LEU CB C 22 40.209 41.353 -1.144 1 1 223 . 9 1 1 A 22 22 LEU N N 22 122.517 121.884 0.633 1 1 224 . 9 1 1 A 23 23 ARG H H 23 8.858 8.367 0.491 1 1 225 . 9 1 1 A 23 23 ARG HA H 23 3.873 4.237 -0.364 1 1 230 . 9 1 1 A 23 23 ARG C C 23 178.503 178.959 -0.456 1 1 231 . 9 1 1 A 23 23 ARG CA C 23 60.362 59.530 0.832 1 1 232 . 9 1 1 A 23 23 ARG CB C 23 29.808 29.753 0.055 1 1 235 . 9 1 1 A 23 23 ARG N N 23 120.502 118.408 2.094 1 1 237 . 9 1 1 A 24 24 GLU H H 24 7.250 7.887 -0.637 1 1 238 . 9 1 1 A 24 24 GLU HA H 24 4.109 4.147 -0.038 1 1 243 . 9 1 1 A 24 24 GLU CA C 24 58.312 58.889 -0.577 1 1 244 . 9 1 1 A 24 24 GLU CB C 24 29.024 29.029 -0.005 1 1 246 . 9 1 1 A 24 24 GLU N N 24 117.221 119.238 -2.017 1 1 247 . 9 1 1 A 25 25 ALA H H 25 8.223 8.000 0.223 1 1 248 . 9 1 1 A 25 25 ALA HA H 25 3.983 4.093 -0.110 1 1 252 . 9 1 1 A 25 25 ALA C C 25 180.617 179.992 0.625 1 1 253 . 9 1 1 A 25 25 ALA CA C 25 55.203 54.821 0.382 1 1 254 . 9 1 1 A 25 25 ALA CB C 25 17.657 18.254 -0.597 1 1 255 . 9 1 1 A 25 25 ALA N N 25 121.823 122.300 -0.477 1 1 256 . 9 1 1 A 26 26 ILE H H 26 8.552 7.672 0.880 1 1 257 . 9 1 1 A 26 26 ILE HA H 26 4.144 3.750 0.394 1 1 267 . 9 1 1 A 26 26 ILE C C 26 175.586 175.972 -0.386 1 1 268 . 9 1 1 A 26 26 ILE CA C 26 63.790 63.219 0.571 1 1 269 . 9 1 1 A 26 26 ILE CB C 26 37.496 37.890 -0.394 1 1 273 . 9 1 1 A 26 26 ILE N N 26 112.838 119.405 -6.567 1 1 274 . 9 1 1 A 27 27 ASP H H 27 7.175 7.978 -0.803 1 1 275 . 9 1 1 A 27 27 ASP HA H 27 4.934 4.884 0.050 1 1 278 . 9 1 1 A 27 27 ASP C C 27 175.602 173.369 2.233 1 1 279 . 9 1 1 A 27 27 ASP CA C 27 53.160 53.069 0.091 1 1 280 . 9 1 1 A 27 27 ASP CB C 27 41.754 41.491 0.263 1 1 281 . 9 1 1 A 27 27 ASP N N 27 120.840 120.095 0.745 1 1 282 . 9 1 1 A 28 28 LEU H H 28 7.136 7.551 -0.415 1 1 283 . 9 1 1 A 28 28 LEU HA H 28 4.510 4.516 -0.006 1 1 290 . 9 1 1 A 28 28 LEU CA C 28 53.379 53.228 0.151 1 1 291 . 9 1 1 A 28 28 LEU CB C 28 42.286 41.874 0.412 1 1 294 . 9 1 1 A 28 28 LEU N N 28 124.155 119.651 4.504 1 1 295 . 9 1 1 A 29 29 PRO HA H 29 4.552 4.551 0.001 1 1 301 . 9 1 1 A 29 29 PRO C C 29 177.414 177.268 0.146 1 1 302 . 9 1 1 A 29 29 PRO CA C 29 62.506 62.956 -0.450 1 1 303 . 9 1 1 A 29 29 PRO CB C 29 32.263 32.683 -0.420 1 1 305 . 9 1 1 A 30 30 GLN H H 30 8.935 8.567 0.368 1 1 306 . 9 1 1 A 30 30 GLN HA H 30 3.966 4.093 -0.127 1 1 311 . 9 1 1 A 30 30 GLN C C 30 175.595 176.733 -1.138 1 1 312 . 9 1 1 A 30 30 GLN CA C 30 58.036 58.314 -0.278 1 1 313 . 9 1 1 A 30 30 GLN CB C 30 28.116 28.407 -0.291 1 1 315 . 9 1 1 A 30 30 GLN N N 30 122.119 121.623 0.496 1 1 317 . 9 1 1 A 31 31 ASP H H 31 8.353 8.229 0.124 1 1 318 . 9 1 1 A 31 31 ASP HA H 31 4.682 4.737 -0.055 1 1 321 . 9 1 1 A 31 31 ASP C C 31 175.518 175.884 -0.366 1 1 322 . 9 1 1 A 31 31 ASP CA C 31 52.178 53.936 -1.758 1 1 323 . 9 1 1 A 31 31 ASP CB C 31 39.270 40.937 -1.667 1 1 324 . 9 1 1 A 31 31 ASP N N 31 115.909 120.358 -4.449 1 1 325 . 9 1 1 A 32 32 ALA H H 32 7.467 7.518 -0.051 1 1 326 . 9 1 1 A 32 32 ALA HA H 32 4.564 4.810 -0.246 1 1 330 . 9 1 1 A 32 32 ALA CA C 32 50.496 50.029 0.467 1 1 331 . 9 1 1 A 32 32 ALA CB C 32 17.852 18.955 -1.103 1 1 332 . 9 1 1 A 32 32 ALA N N 32 124.893 122.531 2.362 1 1 333 . 9 1 1 A 33 33 PRO HA H 33 4.494 4.474 0.020 1 1 339 . 9 1 1 A 33 33 PRO C C 33 176.278 176.158 0.120 1 1 340 . 9 1 1 A 33 33 PRO CA C 33 63.894 63.782 0.112 1 1 341 . 9 1 1 A 33 33 PRO CB C 33 31.354 31.131 0.223 1 1 344 . 9 1 1 A 34 34 ASN H H 34 8.577 8.462 0.115 1 1 345 . 9 1 1 A 34 34 ASN HA H 34 5.041 5.165 -0.124 1 1 350 . 9 1 1 A 34 34 ASN C C 34 174.678 175.446 -0.768 1 1 351 . 9 1 1 A 34 34 ASN CA C 34 51.792 51.812 -0.020 1 1 352 . 9 1 1 A 34 34 ASN CB C 34 36.334 38.536 -2.202 1 1 353 . 9 1 1 A 34 34 ASN N N 34 115.598 115.776 -0.178 1 1 355 . 9 1 1 A 35 35 ARG H H 35 7.401 8.364 -0.963 1 1 356 . 9 1 1 A 35 35 ARG HA H 35 3.726 4.032 -0.306 1 1 363 . 9 1 1 A 35 35 ARG C C 35 176.887 178.180 -1.293 1 1 364 . 9 1 1 A 35 35 ARG CA C 35 60.063 58.944 1.119 1 1 365 . 9 1 1 A 35 35 ARG CB C 35 29.571 29.773 -0.202 1 1 368 . 9 1 1 A 35 35 ARG N N 35 119.690 119.968 -0.278 1 1 370 . 9 1 1 A 36 36 GLN H H 36 8.780 8.060 0.720 1 1 371 . 9 1 1 A 36 36 GLN HA H 36 3.805 4.422 -0.617 1 1 377 . 9 1 1 A 36 36 GLN CA C 36 58.618 58.813 -0.195 1 1 378 . 9 1 1 A 36 36 GLN CB C 36 27.595 28.633 -1.038 1 1 380 . 9 1 1 A 36 36 GLN N N 36 119.100 118.827 0.273 1 1 382 . 9 1 1 A 37 37 GLU H H 37 8.128 8.029 0.099 1 1 383 . 9 1 1 A 37 37 GLU HA H 37 4.137 4.112 0.025 1 1 387 . 9 1 1 A 37 37 GLU C C 37 179.222 179.365 -0.143 1 1 388 . 9 1 1 A 37 37 GLU CA C 37 59.336 59.256 0.080 1 1 389 . 9 1 1 A 37 37 GLU CB C 37 28.781 29.396 -0.615 1 1 391 . 9 1 1 A 37 37 GLU N N 37 120.485 120.894 -0.409 1 1 392 . 9 1 1 A 38 38 VAL H H 38 8.127 7.660 0.467 1 1 393 . 9 1 1 A 38 38 VAL HA H 38 3.708 3.677 0.031 1 1 401 . 9 1 1 A 38 38 VAL C C 38 178.246 178.043 0.203 1 1 402 . 9 1 1 A 38 38 VAL CA C 38 66.019 66.367 -0.348 1 1 403 . 9 1 1 A 38 38 VAL CB C 38 31.008 31.618 -0.610 1 1 406 . 9 1 1 A 38 38 VAL N N 38 121.937 120.523 1.414 1 1 407 . 9 1 1 A 39 39 GLN H H 39 8.324 8.028 0.296 1 1 408 . 9 1 1 A 39 39 GLN HA H 39 3.764 3.974 -0.210 1 1 415 . 9 1 1 A 39 39 GLN C C 39 177.642 177.355 0.287 1 1 416 . 9 1 1 A 39 39 GLN CA C 39 59.019 58.879 0.140 1 1 417 . 9 1 1 A 39 39 GLN CB C 39 27.176 28.264 -1.088 1 1 419 . 9 1 1 A 39 39 GLN N N 39 120.203 120.148 0.055 1 1 421 . 9 1 1 A 40 40 ASP H H 40 8.699 8.897 -0.198 1 1 422 . 9 1 1 A 40 40 ASP HA H 40 4.391 4.197 0.194 1 1 425 . 9 1 1 A 40 40 ASP C C 40 179.726 178.961 0.765 1 1 426 . 9 1 1 A 40 40 ASP CA C 40 57.267 56.746 0.521 1 1 427 . 9 1 1 A 40 40 ASP CB C 40 39.458 40.245 -0.787 1 1 428 . 9 1 1 A 40 40 ASP N N 40 121.604 118.382 3.222 1 1 429 . 9 1 1 A 41 41 THR H H 41 8.449 7.724 0.725 1 1 430 . 9 1 1 A 41 41 THR HA H 41 3.981 3.925 0.056 1 1 435 . 9 1 1 A 41 41 THR CA C 41 66.254 66.013 0.241 1 1 436 . 9 1 1 A 41 41 THR CB C 41 67.937 68.581 -0.644 1 1 437 . 9 1 1 A 41 41 THR N N 41 121.386 116.784 4.602 1 1 438 . 9 1 1 A 42 42 ALA H H 42 8.552 7.728 0.824 1 1 439 . 9 1 1 A 42 42 ALA HA H 42 3.876 3.968 -0.092 1 1 443 . 9 1 1 A 42 42 ALA C C 42 178.300 179.742 -1.442 1 1 444 . 9 1 1 A 42 42 ALA CA C 42 55.244 55.028 0.216 1 1 445 . 9 1 1 A 42 42 ALA CB C 42 17.295 18.252 -0.957 1 1 446 . 9 1 1 A 42 42 ALA N N 42 126.245 123.211 3.034 1 1 447 . 9 1 1 A 43 43 ARG H H 43 8.553 7.982 0.571 1 1 448 . 9 1 1 A 43 43 ARG HA H 43 3.923 4.098 -0.175 1 1 451 . 9 1 1 A 43 43 ARG C C 43 178.522 179.116 -0.594 1 1 452 . 9 1 1 A 43 43 ARG CA C 43 59.680 59.718 -0.038 1 1 453 . 9 1 1 A 43 43 ARG CB C 43 29.887 29.972 -0.085 1 1 454 . 9 1 1 A 43 43 ARG N N 43 117.705 119.397 -1.692 1 1 455 . 9 1 1 A 44 44 GLY H H 44 8.049 8.001 0.048 1 1 456 . 9 1 1 A 44 44 GLY HA2 H 44 4.066 3.816 0.250 1 1 457 . 9 1 1 A 44 44 GLY HA3 H 44 3.972 3.818 0.154 1 1 458 . 9 1 1 A 44 44 GLY CA C 44 46.710 47.382 -0.672 1 1 459 . 9 1 1 A 44 44 GLY N N 44 106.443 106.855 -0.412 1 1 460 . 9 1 1 A 45 45 GLN H H 45 8.305 7.819 0.486 1 1 461 . 9 1 1 A 45 45 GLN HA H 45 4.204 4.044 0.160 1 1 466 . 9 1 1 A 45 45 GLN C C 45 177.942 178.488 -0.546 1 1 467 . 9 1 1 A 45 45 GLN CA C 45 59.930 58.727 1.203 1 1 468 . 9 1 1 A 45 45 GLN CB C 45 28.520 28.126 0.394 1 1 470 . 9 1 1 A 45 45 GLN N N 45 123.780 120.722 3.058 1 1 472 . 9 1 1 A 46 46 ILE H H 46 8.673 8.413 0.260 1 1 473 . 9 1 1 A 46 46 ILE HA H 46 3.594 3.651 -0.057 1 1 483 . 9 1 1 A 46 46 ILE C C 46 176.649 177.883 -1.234 1 1 484 . 9 1 1 A 46 46 ILE CA C 46 66.299 65.697 0.602 1 1 485 . 9 1 1 A 46 46 ILE CB C 46 37.762 37.898 -0.136 1 1 489 . 9 1 1 A 46 46 ILE N N 46 120.050 120.067 -0.017 1 1 490 . 9 1 1 A 47 47 ASN H H 47 7.866 8.611 -0.745 1 1 491 . 9 1 1 A 47 47 ASN HA H 47 4.525 4.422 0.103 1 1 495 . 9 1 1 A 47 47 ASN C C 47 176.649 176.729 -0.080 1 1 496 . 9 1 1 A 47 47 ASN CA C 47 55.703 56.026 -0.323 1 1 497 . 9 1 1 A 47 47 ASN CB C 47 37.925 37.400 0.525 1 1 498 . 9 1 1 A 47 47 ASN N N 47 116.444 117.739 -1.295 1 1 500 . 9 1 1 A 48 48 ASP H H 48 8.185 7.669 0.516 1 1 501 . 9 1 1 A 48 48 ASP HA H 48 4.460 4.668 -0.208 1 1 504 . 9 1 1 A 48 48 ASP C C 48 176.285 178.186 -1.901 1 1 505 . 9 1 1 A 48 48 ASP CA C 48 56.635 57.411 -0.776 1 1 506 . 9 1 1 A 48 48 ASP CB C 48 41.593 41.309 0.284 1 1 507 . 9 1 1 A 48 48 ASP N N 48 121.725 119.933 1.792 1 1 508 . 9 1 1 A 49 49 TYR H H 49 8.756 8.778 -0.022 1 1 509 . 9 1 1 A 49 49 TYR HA H 49 3.892 4.309 -0.417 1 1 512 . 9 1 1 A 49 49 TYR C C 49 176.432 176.990 -0.558 1 1 513 . 9 1 1 A 49 49 TYR CA C 49 62.617 61.487 1.130 1 1 514 . 9 1 1 A 49 49 TYR CB C 49 39.188 38.731 0.457 1 1 515 . 9 1 1 A 49 49 TYR N N 49 121.005 121.560 -0.555 1 1 516 . 9 1 1 A 50 50 ILE H H 50 8.481 8.807 -0.326 1 1 517 . 9 1 1 A 50 50 ILE HA H 50 3.901 3.963 -0.062 1 1 527 . 9 1 1 A 50 50 ILE C C 50 177.407 177.019 0.388 1 1 528 . 9 1 1 A 50 50 ILE CA C 50 63.893 64.305 -0.412 1 1 529 . 9 1 1 A 50 50 ILE CB C 50 36.668 38.253 -1.585 1 1 533 . 9 1 1 A 50 50 ILE N N 50 117.237 120.238 -3.001 1 1 534 . 9 1 1 A 51 51 SER H H 51 7.870 8.076 -0.206 1 1 535 . 9 1 1 A 51 51 SER HA H 51 4.203 4.744 -0.541 1 1 538 . 9 1 1 A 51 51 SER C C 51 177.413 174.321 3.092 1 1 539 . 9 1 1 A 51 51 SER CA C 51 61.003 57.695 3.308 1 1 540 . 9 1 1 A 51 51 SER CB C 51 62.711 64.219 -1.508 1 1 541 . 9 1 1 A 51 51 SER N N 51 113.635 115.530 -1.895 1 1 542 . 9 1 1 A 52 52 ARG H H 52 8.386 7.872 0.514 1 1 543 . 9 1 1 A 52 52 ARG HA H 52 3.816 4.594 -0.778 1 1 551 . 9 1 1 A 52 52 ARG C C 52 178.788 174.923 3.865 1 1 552 . 9 1 1 A 52 52 ARG CA C 52 58.343 57.128 1.215 1 1 553 . 9 1 1 A 52 52 ARG CB C 52 30.053 32.892 -2.839 1 1 556 . 9 1 1 A 52 52 ARG N N 52 120.787 120.871 -0.084 1 1 558 . 9 1 1 A 53 53 TYR H H 53 7.428 7.774 -0.346 1 1 559 . 9 1 1 A 53 53 TYR HA H 53 4.667 4.588 0.079 1 1 562 . 9 1 1 A 53 53 TYR C C 53 174.743 175.290 -0.547 1 1 563 . 9 1 1 A 53 53 TYR CA C 53 57.922 57.120 0.802 1 1 564 . 9 1 1 A 53 53 TYR CB C 53 38.030 38.809 -0.779 1 1 565 . 9 1 1 A 53 53 TYR N N 53 115.269 118.338 -3.069 1 1 566 . 9 1 1 A 54 54 ARG H H 54 7.775 8.092 -0.317 1 1 567 . 9 1 1 A 54 54 ARG HA H 54 4.249 4.036 0.213 1 1 570 . 9 1 1 A 54 54 ARG C C 54 177.121 176.148 0.973 1 1 571 . 9 1 1 A 54 54 ARG CA C 54 58.720 56.520 2.200 1 1 572 . 9 1 1 A 54 54 ARG CB C 54 29.345 31.592 -2.247 1 1 573 . 9 1 1 A 54 54 ARG N N 54 120.518 124.289 -3.771 1 1 574 . 9 1 1 A 55 55 ARG H H 55 8.319 7.348 0.971 1 1 575 . 9 1 1 A 55 55 ARG HA H 55 4.249 4.212 0.037 1 1 577 . 9 1 1 A 55 55 ARG C C 55 177.395 175.700 1.695 1 1 578 . 9 1 1 A 55 55 ARG CA C 55 56.766 55.844 0.922 1 1 579 . 9 1 1 A 55 55 ARG CB C 55 29.231 30.799 -1.568 1 1 580 . 9 1 1 A 55 55 ARG N N 55 119.094 121.105 -2.011 1 1 581 . 9 1 1 A 56 56 LYS H H 56 8.062 8.729 -0.667 1 1 582 . 9 1 1 A 56 56 LYS HA H 56 4.069 4.565 -0.496 1 1 588 . 9 1 1 A 56 56 LYS C C 56 177.177 175.798 1.379 1 1 589 . 9 1 1 A 56 56 LYS CA C 56 56.740 55.822 0.918 1 1 590 . 9 1 1 A 56 56 LYS CB C 56 31.291 33.023 -1.732 1 1 594 . 9 1 1 A 56 56 LYS N N 56 121.271 121.564 -0.293 1 1 595 . 9 1 1 A 57 57 GLY H H 57 8.138 7.902 0.236 1 1 596 . 9 1 1 A 57 57 GLY HA2 H 57 4.055 4.102 -0.047 1 1 597 . 9 1 1 A 57 57 GLY HA3 H 57 3.766 4.126 -0.360 1 1 598 . 9 1 1 A 57 57 GLY C C 57 174.196 173.689 0.507 1 1 599 . 9 1 1 A 57 57 GLY CA C 57 45.336 45.871 -0.535 1 1 600 . 9 1 1 A 57 57 GLY N N 57 108.747 107.898 0.849 1 1 601 . 9 1 1 A 58 58 ASP H H 58 7.937 8.077 -0.140 1 1 602 . 9 1 1 A 58 58 ASP HA H 58 4.571 4.630 -0.059 1 1 604 . 9 1 1 A 58 58 ASP CA C 58 54.548 53.465 1.083 1 1 605 . 9 1 1 A 58 58 ASP CB C 58 40.254 39.771 0.483 1 1 606 . 9 1 1 A 58 58 ASP N N 58 121.456 118.881 2.575 1 1 607 . 9 1 1 A 59 59 ALA H H 59 8.150 8.172 -0.022 1 1 608 . 9 1 1 A 59 59 ALA HA H 59 4.178 4.069 0.109 1 1 612 . 9 1 1 A 59 59 ALA C C 59 177.927 177.954 -0.027 1 1 613 . 9 1 1 A 59 59 ALA CA C 59 52.751 52.878 -0.127 1 1 614 . 9 1 1 A 59 59 ALA CB C 59 18.062 19.451 -1.389 1 1 615 . 9 1 1 A 59 59 ALA N N 59 123.316 126.953 -3.637 1 1 616 . 9 1 1 A 60 60 GLY H H 60 8.190 8.878 -0.688 1 1 617 . 9 1 1 A 60 60 GLY HA2 H 60 3.954 4.005 -0.051 1 1 618 . 9 1 1 A 60 60 GLY HA3 H 60 3.962 4.016 -0.054 1 1 619 . 9 1 1 A 60 60 GLY C C 60 174.572 174.486 0.086 1 1 620 . 9 1 1 A 60 60 GLY CA C 60 45.301 45.252 0.049 1 1 621 . 9 1 1 A 60 60 GLY N N 60 107.588 106.937 0.651 1 1 622 . 9 1 1 A 61 61 GLY H H 61 8.014 8.025 -0.011 1 1 623 . 9 1 1 A 61 61 GLY HA2 H 61 4.068 4.120 -0.052 1 1 624 . 9 1 1 A 61 61 GLY HA3 H 61 3.882 4.138 -0.256 1 1 625 . 9 1 1 A 61 61 GLY C C 61 173.560 173.385 0.175 1 1 626 . 9 1 1 A 61 61 GLY CA C 61 44.784 45.847 -1.063 1 1 627 . 9 1 1 A 61 61 GLY N N 61 108.839 107.169 1.670 1 1 628 . 9 1 1 A 62 62 LEU H H 62 8.038 8.729 -0.691 1 1 629 . 9 1 1 A 62 62 LEU HA H 62 4.528 4.602 -0.074 1 1 636 . 9 1 1 A 62 62 LEU C C 62 177.058 176.712 0.346 1 1 637 . 9 1 1 A 62 62 LEU CA C 62 54.038 54.370 -0.332 1 1 638 . 9 1 1 A 62 62 LEU CB C 62 42.254 42.858 -0.604 1 1 641 . 9 1 1 A 62 62 LEU N N 62 122.191 121.335 0.856 1 1 642 . 9 1 1 A 63 63 LYS H H 63 9.378 8.790 0.588 1 1 643 . 9 1 1 A 63 63 LYS HA H 63 4.223 4.464 -0.241 1 1 647 . 9 1 1 A 63 63 LYS C C 63 179.928 178.034 1.894 1 1 648 . 9 1 1 A 63 63 LYS CA C 63 58.665 57.598 1.067 1 1 649 . 9 1 1 A 63 63 LYS CB C 63 31.663 35.758 -4.095 1 1 651 . 9 1 1 A 63 63 LYS N N 63 129.582 121.843 7.739 1 1 652 . 9 1 1 A 64 64 SER H H 64 10.250 8.336 1.914 1 1 653 . 9 1 1 A 64 64 SER HA H 64 4.169 4.180 -0.011 1 1 656 . 9 1 1 A 64 64 SER C C 64 175.569 176.656 -1.087 1 1 657 . 9 1 1 A 64 64 SER CA C 64 61.010 61.596 -0.586 1 1 658 . 9 1 1 A 64 64 SER N N 64 117.647 115.090 2.557 1 1 659 . 9 1 1 A 65 65 PHE H H 65 7.035 8.268 -1.233 1 1 660 . 9 1 1 A 65 65 PHE HA H 65 4.444 4.132 0.312 1 1 663 . 9 1 1 A 65 65 PHE C C 65 176.884 177.427 -0.543 1 1 664 . 9 1 1 A 65 65 PHE CA C 65 61.911 61.716 0.195 1 1 665 . 9 1 1 A 65 65 PHE CB C 65 38.861 39.128 -0.267 1 1 666 . 9 1 1 A 65 65 PHE N N 65 123.056 123.477 -0.421 1 1 667 . 9 1 1 A 66 66 THR H H 66 8.475 8.144 0.331 1 1 668 . 9 1 1 A 66 66 THR HA H 66 3.932 3.468 0.464 1 1 673 . 9 1 1 A 66 66 THR C C 66 176.884 176.654 0.230 1 1 674 . 9 1 1 A 66 66 THR CA C 66 66.236 66.351 -0.115 1 1 675 . 9 1 1 A 66 66 THR CB C 66 67.993 68.584 -0.591 1 1 677 . 9 1 1 A 66 66 THR N N 66 115.996 114.947 1.049 1 1 678 . 9 1 1 A 67 67 THR H H 67 8.100 7.678 0.422 1 1 679 . 9 1 1 A 67 67 THR HA H 67 3.979 4.128 -0.149 1 1 684 . 9 1 1 A 67 67 THR CA C 67 66.516 66.346 0.170 1 1 685 . 9 1 1 A 67 67 THR CB C 67 68.188 68.286 -0.098 1 1 687 . 9 1 1 A 67 67 THR N N 67 120.365 115.778 4.587 1 1 688 . 9 1 1 A 68 68 MET H H 68 8.134 7.936 0.198 1 1 689 . 9 1 1 A 68 68 MET HA H 68 4.429 3.936 0.493 1 1 697 . 9 1 1 A 68 68 MET C C 68 177.682 178.371 -0.689 1 1 698 . 9 1 1 A 68 68 MET CA C 68 56.239 58.630 -2.391 1 1 699 . 9 1 1 A 68 68 MET CB C 68 30.516 32.015 -1.499 1 1 702 . 9 1 1 A 68 68 MET N N 68 120.545 120.155 0.390 1 1 703 . 9 1 1 A 69 69 GLN H H 69 9.139 7.191 1.948 1 1 704 . 9 1 1 A 69 69 GLN HA H 69 3.694 4.136 -0.442 1 1 711 . 9 1 1 A 69 69 GLN C C 69 177.433 178.446 -1.013 1 1 712 . 9 1 1 A 69 69 GLN CA C 69 59.779 58.135 1.644 1 1 713 . 9 1 1 A 69 69 GLN CB C 69 28.547 28.247 0.300 1 1 715 . 9 1 1 A 69 69 GLN N N 69 120.358 118.177 2.181 1 1 717 . 9 1 1 A 70 70 THR H H 70 7.809 7.778 0.031 1 1 718 . 9 1 1 A 70 70 THR HA H 70 3.979 3.957 0.022 1 1 723 . 9 1 1 A 70 70 THR C C 70 176.394 176.305 0.089 1 1 724 . 9 1 1 A 70 70 THR CA C 70 66.028 66.437 -0.409 1 1 725 . 9 1 1 A 70 70 THR CB C 70 68.198 69.093 -0.895 1 1 727 . 9 1 1 A 70 70 THR N N 70 116.198 116.147 0.051 1 1 728 . 9 1 1 A 71 71 ALA H H 71 7.859 8.677 -0.818 1 1 729 . 9 1 1 A 71 71 ALA HA H 71 3.994 4.091 -0.097 1 1 733 . 9 1 1 A 71 71 ALA CA C 71 54.902 55.068 -0.166 1 1 734 . 9 1 1 A 71 71 ALA CB C 71 17.926 18.185 -0.259 1 1 735 . 9 1 1 A 71 71 ALA N N 71 126.667 124.235 2.432 1 1 736 . 9 1 1 A 72 72 LEU H H 72 9.261 7.869 1.392 1 1 737 . 9 1 1 A 72 72 LEU HA H 72 3.915 3.914 0.001 1 1 743 . 9 1 1 A 72 72 LEU C C 72 179.219 179.136 0.083 1 1 744 . 9 1 1 A 72 72 LEU CA C 72 58.406 58.142 0.264 1 1 745 . 9 1 1 A 72 72 LEU CB C 72 38.744 41.785 -3.041 1 1 747 . 9 1 1 A 72 72 LEU N N 72 119.657 119.612 0.045 1 1 748 . 9 1 1 A 73 73 ASN H H 73 8.542 7.675 0.867 1 1 749 . 9 1 1 A 73 73 ASN HA H 73 4.606 4.541 0.065 1 1 754 . 9 1 1 A 73 73 ASN CA C 73 55.711 55.929 -0.218 1 1 755 . 9 1 1 A 73 73 ASN CB C 73 37.398 37.796 -0.398 1 1 756 . 9 1 1 A 73 73 ASN N N 73 118.851 117.229 1.622 1 1 758 . 9 1 1 A 74 74 SER H H 74 7.849 7.881 -0.032 1 1 759 . 9 1 1 A 74 74 SER HA H 74 4.379 4.260 0.119 1 1 762 . 9 1 1 A 74 74 SER C C 74 175.881 176.789 -0.908 1 1 763 . 9 1 1 A 74 74 SER CA C 74 61.405 61.467 -0.062 1 1 764 . 9 1 1 A 74 74 SER N N 74 118.042 115.714 2.328 1 1 765 . 9 1 1 A 75 75 LEU H H 75 8.084 9.032 -0.948 1 1 766 . 9 1 1 A 75 75 LEU HA H 75 4.181 4.070 0.111 1 1 773 . 9 1 1 A 75 75 LEU C C 75 176.899 178.976 -2.077 1 1 774 . 9 1 1 A 75 75 LEU CA C 75 56.746 57.862 -1.116 1 1 775 . 9 1 1 A 75 75 LEU CB C 75 41.896 41.428 0.468 1 1 777 . 9 1 1 A 75 75 LEU N N 75 124.099 119.395 4.704 1 1 778 . 9 1 1 A 76 76 ALA H H 76 8.695 7.895 0.800 1 1 779 . 9 1 1 A 76 76 ALA HA H 76 4.134 4.185 -0.051 1 1 783 . 9 1 1 A 76 76 ALA C C 76 180.159 180.106 0.053 1 1 784 . 9 1 1 A 76 76 ALA CA C 76 55.315 55.245 0.070 1 1 785 . 9 1 1 A 76 76 ALA CB C 76 17.624 18.469 -0.845 1 1 786 . 9 1 1 A 76 76 ALA N N 76 121.934 122.502 -0.568 1 1 787 . 9 1 1 A 77 77 GLY H H 77 8.198 8.402 -0.204 1 1 788 . 9 1 1 A 77 77 GLY HA2 H 77 3.917 3.618 0.299 1 1 789 . 9 1 1 A 77 77 GLY HA3 H 77 3.925 3.633 0.292 1 1 790 . 9 1 1 A 77 77 GLY C C 77 175.177 175.316 -0.139 1 1 791 . 9 1 1 A 77 77 GLY CA C 77 46.066 47.139 -1.073 1 1 792 . 9 1 1 A 77 77 GLY N N 77 105.613 105.562 0.051 1 1 793 . 9 1 1 A 78 78 TYR H H 78 7.973 7.777 0.196 1 1 794 . 9 1 1 A 78 78 TYR HA H 78 4.326 4.225 0.101 1 1 797 . 9 1 1 A 78 78 TYR C C 78 176.705 177.767 -1.062 1 1 798 . 9 1 1 A 78 78 TYR CA C 78 61.280 61.317 -0.037 1 1 799 . 9 1 1 A 78 78 TYR CB C 78 37.737 39.245 -1.508 1 1 800 . 9 1 1 A 78 78 TYR N N 78 123.680 123.812 -0.132 1 1 801 . 9 1 1 A 79 79 TYR H H 79 8.347 7.421 0.926 1 1 802 . 9 1 1 A 79 79 TYR HA H 79 4.750 4.062 0.688 1 1 805 . 9 1 1 A 79 79 TYR C C 79 178.135 176.446 1.689 1 1 806 . 9 1 1 A 79 79 TYR CA C 79 57.389 59.816 -2.427 1 1 807 . 9 1 1 A 79 79 TYR CB C 79 36.796 39.247 -2.451 1 1 808 . 9 1 1 A 79 79 TYR N N 79 119.870 120.632 -0.762 1 1 809 . 9 1 1 A 80 80 THR H H 80 8.180 7.970 0.210 1 1 810 . 9 1 1 A 80 80 THR HA H 80 4.208 4.505 -0.297 1 1 815 . 9 1 1 A 80 80 THR C C 80 175.302 174.398 0.904 1 1 816 . 9 1 1 A 80 80 THR CA C 80 64.276 60.458 3.818 1 1 817 . 9 1 1 A 80 80 THR CB C 80 69.098 68.543 0.555 1 1 819 . 9 1 1 A 80 80 THR N N 80 114.967 112.826 2.141 1 1 820 . 9 1 1 A 81 81 SER H H 81 8.027 7.846 0.181 1 1 821 . 9 1 1 A 81 81 SER HA H 81 4.214 4.379 -0.165 1 1 824 . 9 1 1 A 81 81 SER C C 81 174.305 173.385 0.920 1 1 825 . 9 1 1 A 81 81 SER CA C 81 60.578 58.635 1.943 1 1 826 . 9 1 1 A 81 81 SER CB C 81 63.385 65.706 -2.321 1 1 827 . 9 1 1 A 81 81 SER N N 81 116.664 116.951 -0.287 1 1 828 . 9 1 1 A 82 82 TYR H H 82 8.396 7.686 0.710 1 1 829 . 9 1 1 A 82 82 TYR HA H 82 4.612 4.737 -0.125 1 1 832 . 9 1 1 A 82 82 TYR C C 82 176.069 174.983 1.086 1 1 833 . 9 1 1 A 82 82 TYR CA C 82 57.676 58.081 -0.405 1 1 834 . 9 1 1 A 82 82 TYR CB C 82 38.160 39.641 -1.481 1 1 835 . 9 1 1 A 82 82 TYR N N 82 119.325 117.434 1.891 1 1 836 . 9 1 1 A 83 83 GLY H H 83 7.982 7.932 0.050 1 1 837 . 9 1 1 A 83 83 GLY HA2 H 83 4.021 3.735 0.286 1 1 838 . 9 1 1 A 83 83 GLY HA3 H 83 3.877 4.031 -0.154 1 1 839 . 9 1 1 A 83 83 GLY C C 83 178.820 174.332 4.488 1 1 840 . 9 1 1 A 83 83 GLY CA C 83 46.170 44.831 1.339 1 1 841 . 9 1 1 A 83 83 GLY N N 83 111.287 106.187 5.100 1 1 842 . 9 1 1 A 84 84 ALA H H 84 8.505 8.342 0.163 1 1 843 . 9 1 1 A 84 84 ALA HA H 84 4.619 4.503 0.116 1 1 847 . 9 1 1 A 84 84 ALA C C 84 176.933 175.931 1.002 1 1 848 . 9 1 1 A 84 84 ALA CA C 84 51.514 51.698 -0.184 1 1 849 . 9 1 1 A 84 84 ALA CB C 84 18.109 18.004 0.105 1 1 850 . 9 1 1 A 84 84 ALA N N 84 126.408 129.127 -2.719 1 1 851 . 9 1 1 A 85 85 ARG H H 85 8.057 7.540 0.517 1 1 852 . 9 1 1 A 85 85 ARG HA H 85 4.696 4.858 -0.162 1 1 854 . 9 1 1 A 85 85 ARG CA C 85 53.887 52.948 0.939 1 1 855 . 9 1 1 A 85 85 ARG CB C 85 30.500 31.719 -1.219 1 1 856 . 9 1 1 A 85 85 ARG N N 85 123.060 117.427 5.633 1 1 857 . 9 1 1 A 86 86 PRO HA H 86 4.426 4.458 -0.032 1 1 862 . 9 1 1 A 86 86 PRO CA C 86 62.541 62.886 -0.345 1 1 863 . 9 1 1 A 86 86 PRO CB C 86 31.477 32.414 -0.937 1 1 864 . 9 1 1 A 87 87 ILE H H 87 8.449 8.333 0.116 1 1 865 . 9 1 1 A 87 87 ILE HA H 87 3.821 4.540 -0.719 1 1 875 . 9 1 1 A 87 87 ILE CA C 87 58.300 59.007 -0.707 1 1 876 . 9 1 1 A 87 87 ILE CB C 87 37.630 38.579 -0.949 1 1 880 . 9 1 1 A 87 87 ILE N N 87 125.558 122.367 3.191 1 1 881 . 9 1 1 A 88 88 PRO HA H 88 4.425 4.490 -0.065 1 1 884 . 9 1 1 A 88 88 PRO C C 88 177.001 177.673 -0.672 1 1 885 . 9 1 1 A 88 88 PRO CA C 88 62.298 63.017 -0.719 1 1 886 . 9 1 1 A 88 88 PRO CB C 88 32.070 32.633 -0.563 1 1 887 . 9 1 1 A 89 89 GLU H H 89 8.861 8.634 0.227 1 1 888 . 9 1 1 A 89 89 GLU HA H 89 3.871 3.949 -0.078 1 1 891 . 9 1 1 A 89 89 GLU C C 89 177.756 178.634 -0.878 1 1 892 . 9 1 1 A 89 89 GLU CA C 89 59.711 59.864 -0.153 1 1 893 . 9 1 1 A 89 89 GLU CB C 89 29.119 29.345 -0.226 1 1 894 . 9 1 1 A 89 89 GLU N N 89 125.518 122.284 3.234 1 1 895 . 9 1 1 A 90 90 LYS H H 90 8.827 7.825 1.002 1 1 896 . 9 1 1 A 90 90 LYS HA H 90 3.969 4.106 -0.137 1 1 899 . 9 1 1 A 90 90 LYS C C 90 178.672 179.346 -0.674 1 1 900 . 9 1 1 A 90 90 LYS CA C 90 59.423 59.337 0.086 1 1 901 . 9 1 1 A 90 90 LYS CB C 90 31.820 32.410 -0.590 1 1 902 . 9 1 1 A 90 90 LYS N N 90 117.281 120.114 -2.833 1 1 903 . 9 1 1 A 91 91 LEU H H 91 6.857 8.048 -1.191 1 1 904 . 9 1 1 A 91 91 LEU HA H 91 4.212 4.122 0.090 1 1 911 . 9 1 1 A 91 91 LEU CA C 91 56.390 57.751 -1.361 1 1 912 . 9 1 1 A 91 91 LEU CB C 91 40.627 41.442 -0.815 1 1 915 . 9 1 1 A 91 91 LEU N N 91 120.818 119.579 1.239 1 1 916 . 9 1 1 A 92 92 LYS H H 92 8.156 8.722 -0.566 1 1 917 . 9 1 1 A 92 92 LYS HA H 92 3.558 3.903 -0.345 1 1 925 . 9 1 1 A 92 92 LYS C C 92 177.480 178.698 -1.218 1 1 926 . 9 1 1 A 92 92 LYS CA C 92 60.613 59.972 0.641 1 1 927 . 9 1 1 A 92 92 LYS CB C 92 31.812 32.490 -0.678 1 1 931 . 9 1 1 A 92 92 LYS N N 92 120.663 118.846 1.817 1 1 932 . 9 1 1 A 93 93 LYS H H 93 8.156 9.222 -1.066 1 1 933 . 9 1 1 A 93 93 LYS HA H 93 4.032 3.937 0.095 1 1 936 . 9 1 1 A 93 93 LYS C C 93 178.757 178.882 -0.125 1 1 937 . 9 1 1 A 93 93 LYS CA C 93 58.546 59.551 -1.005 1 1 938 . 9 1 1 A 93 93 LYS CB C 93 31.726 32.485 -0.759 1 1 939 . 9 1 1 A 93 93 LYS N N 93 116.478 118.767 -2.289 1 1 940 . 9 1 1 A 94 94 ARG H H 94 7.287 8.021 -0.734 1 1 941 . 9 1 1 A 94 94 ARG HA H 94 4.032 4.091 -0.059 1 1 948 . 9 1 1 A 94 94 ARG C C 94 177.872 178.673 -0.801 1 1 949 . 9 1 1 A 94 94 ARG CA C 94 58.639 59.177 -0.538 1 1 950 . 9 1 1 A 94 94 ARG CB C 94 29.490 30.234 -0.744 1 1 953 . 9 1 1 A 94 94 ARG N N 94 120.980 119.057 1.923 1 1 955 . 9 1 1 A 95 95 LEU H H 95 8.365 9.580 -1.215 1 1 956 . 9 1 1 A 95 95 LEU HA H 95 3.597 4.034 -0.437 1 1 960 . 9 1 1 A 95 95 LEU C C 95 177.342 179.517 -2.175 1 1 961 . 9 1 1 A 95 95 LEU CA C 95 57.009 57.791 -0.782 1 1 962 . 9 1 1 A 95 95 LEU CB C 95 40.718 41.020 -0.302 1 1 964 . 9 1 1 A 95 95 LEU N N 95 119.611 119.450 0.161 1 1 965 . 9 1 1 A 96 96 GLN H H 96 8.126 9.335 -1.209 1 1 966 . 9 1 1 A 96 96 GLN HA H 96 4.033 4.107 -0.074 1 1 972 . 9 1 1 A 96 96 GLN C C 96 179.502 178.686 0.816 1 1 973 . 9 1 1 A 96 96 GLN CA C 96 58.743 58.479 0.264 1 1 974 . 9 1 1 A 96 96 GLN CB C 96 27.315 28.570 -1.255 1 1 976 . 9 1 1 A 96 96 GLN N N 96 115.986 120.087 -4.101 1 1 978 . 9 1 1 A 97 97 LEU H H 97 7.574 9.203 -1.629 1 1 979 . 9 1 1 A 97 97 LEU HA H 97 4.176 4.431 -0.255 1 1 983 . 9 1 1 A 97 97 LEU CA C 97 57.816 57.729 0.087 1 1 984 . 9 1 1 A 97 97 LEU CB C 97 41.107 42.062 -0.955 1 1 985 . 9 1 1 A 97 97 LEU N N 97 121.721 121.508 0.213 1 1 986 . 9 1 1 A 98 98 GLU H H 98 8.180 9.148 -0.968 1 1 987 . 9 1 1 A 98 98 GLU HA H 98 3.970 3.964 0.006 1 1 989 . 9 1 1 A 98 98 GLU C C 98 178.852 178.904 -0.052 1 1 990 . 9 1 1 A 98 98 GLU CA C 98 59.074 59.508 -0.434 1 1 991 . 9 1 1 A 98 98 GLU CB C 98 28.376 29.226 -0.850 1 1 992 . 9 1 1 A 98 98 GLU N N 98 122.418 119.315 3.103 1 1 993 . 9 1 1 A 99 99 PHE H H 99 8.995 9.337 -0.342 1 1 994 . 9 1 1 A 99 99 PHE HA H 99 4.560 4.072 0.488 1 1 997 . 9 1 1 A 99 99 PHE C C 99 178.050 177.875 0.175 1 1 998 . 9 1 1 A 99 99 PHE CA C 99 57.595 61.427 -3.832 1 1 999 . 9 1 1 A 99 99 PHE CB C 99 36.788 39.214 -2.426 1 1 1000 . 9 1 1 A 99 99 PHE N N 99 118.943 120.800 -1.857 1 1 1001 . 9 1 1 A 100 100 THR H H 100 7.985 9.360 -1.375 1 1 1002 . 9 1 1 A 100 100 THR HA H 100 4.097 4.166 -0.069 1 1 1007 . 9 1 1 A 100 100 THR CA C 100 66.567 65.722 0.845 1 1 1008 . 9 1 1 A 100 100 THR CB C 100 68.200 68.505 -0.305 1 1 1010 . 9 1 1 A 100 100 THR N N 100 117.633 113.010 4.623 1 1 1011 . 9 1 1 A 101 101 GLN H H 101 8.160 9.321 -1.161 1 1 1012 . 9 1 1 A 101 101 GLN HA H 101 4.017 4.055 -0.038 1 1 1018 . 9 1 1 A 101 101 GLN C C 101 179.034 177.624 1.410 1 1 1019 . 9 1 1 A 101 101 GLN CA C 101 58.649 57.430 1.219 1 1 1020 . 9 1 1 A 101 101 GLN CB C 101 27.541 29.005 -1.464 1 1 1022 . 9 1 1 A 101 101 GLN N N 101 122.138 121.637 0.501 1 1 1024 . 9 1 1 A 102 102 ALA H H 102 8.768 8.872 -0.104 1 1 1025 . 9 1 1 A 102 102 ALA HA H 102 4.036 4.177 -0.141 1 1 1029 . 9 1 1 A 102 102 ALA C C 102 178.466 178.582 -0.116 1 1 1030 . 9 1 1 A 102 102 ALA CA C 102 55.525 55.015 0.510 1 1 1031 . 9 1 1 A 102 102 ALA CB C 102 18.046 19.241 -1.195 1 1 1032 . 9 1 1 A 102 102 ALA N N 102 124.541 122.314 2.227 1 1 1033 . 9 1 1 A 103 103 GLU H H 103 8.552 9.292 -0.740 1 1 1034 . 9 1 1 A 103 103 GLU HA H 103 3.680 3.804 -0.124 1 1 1039 . 9 1 1 A 103 103 GLU C C 103 178.447 178.500 -0.053 1 1 1040 . 9 1 1 A 103 103 GLU CA C 103 59.802 59.190 0.612 1 1 1041 . 9 1 1 A 103 103 GLU CB C 103 29.672 28.763 0.909 1 1 1043 . 9 1 1 A 103 103 GLU N N 103 120.048 118.579 1.469 1 1 1044 . 9 1 1 A 104 104 ARG H H 104 8.242 8.522 -0.280 1 1 1045 . 9 1 1 A 104 104 ARG HA H 104 4.214 4.055 0.159 1 1 1048 . 9 1 1 A 104 104 ARG C C 104 178.958 178.569 0.389 1 1 1049 . 9 1 1 A 104 104 ARG CA C 104 58.135 59.435 -1.300 1 1 1050 . 9 1 1 A 104 104 ARG CB C 104 29.742 30.112 -0.370 1 1 1051 . 9 1 1 A 104 104 ARG N N 104 119.448 120.121 -0.673 1 1 1052 . 9 1 1 A 105 105 SER H H 105 8.087 7.996 0.091 1 1 1053 . 9 1 1 A 105 105 SER HA H 105 4.290 4.316 -0.026 1 1 1056 . 9 1 1 A 105 105 SER CA C 105 61.917 61.251 0.666 1 1 1057 . 9 1 1 A 105 105 SER N N 105 117.329 115.014 2.315 1 1 1058 . 9 1 1 A 106 106 ILE H H 106 8.403 8.041 0.362 1 1 1059 . 9 1 1 A 106 106 ILE HA H 106 4.113 3.510 0.603 1 1 1069 . 9 1 1 A 106 106 ILE CA C 106 61.487 65.491 -4.004 1 1 1070 . 9 1 1 A 106 106 ILE CB C 106 35.600 37.908 -2.308 1 1 1074 . 9 1 1 A 106 106 ILE N N 106 124.394 122.353 2.041 1 1 1075 . 9 1 1 A 107 107 GLU H H 107 8.187 7.983 0.204 1 1 1076 . 9 1 1 A 107 107 GLU HA H 107 4.126 4.190 -0.064 1 1 1079 . 9 1 1 A 107 107 GLU C C 107 177.494 176.203 1.291 1 1 1080 . 9 1 1 A 107 107 GLU CA C 107 58.849 58.466 0.383 1 1 1081 . 9 1 1 A 107 107 GLU CB C 107 29.052 30.265 -1.213 1 1 1082 . 9 1 1 A 107 107 GLU N N 107 123.223 120.686 2.537 1 1 1083 . 9 1 1 A 108 108 ARG H H 108 7.651 7.861 -0.210 1 1 1084 . 9 1 1 A 108 108 ARG HA H 108 4.431 4.020 0.411 1 1 1090 . 9 1 1 A 108 108 ARG C C 108 175.927 176.974 -1.047 1 1 1091 . 9 1 1 A 108 108 ARG CA C 108 55.584 57.237 -1.653 1 1 1092 . 9 1 1 A 108 108 ARG CB C 108 30.806 28.771 2.035 1 1 1094 . 9 1 1 A 108 108 ARG N N 108 117.394 119.426 -2.032 1 1 1095 . 9 1 1 A 109 109 GLY H H 109 8.190 7.848 0.342 1 1 1096 . 9 1 1 A 109 109 GLY HA2 H 109 4.141 3.776 0.365 1 1 1097 . 9 1 1 A 109 109 GLY HA3 H 109 4.060 3.779 0.281 1 1 1098 . 9 1 1 A 109 109 GLY C C 109 174.031 175.534 -1.503 1 1 1099 . 9 1 1 A 109 109 GLY CA C 109 45.823 46.478 -0.655 1 1 1100 . 9 1 1 A 109 109 GLY N N 109 110.712 107.596 3.116 1 1 7 . 10 1 1 A 2 2 ASP H H 2 8.644 8.186 0.458 1 1 8 . 10 1 1 A 2 2 ASP HA H 2 4.373 4.827 -0.454 1 1 11 . 10 1 1 A 2 2 ASP C C 2 178.938 175.249 3.689 1 1 12 . 10 1 1 A 2 2 ASP CA C 2 53.794 54.192 -0.398 1 1 13 . 10 1 1 A 2 2 ASP CB C 2 41.025 43.216 -2.191 1 1 14 . 10 1 1 A 2 2 ASP N N 2 122.106 118.331 3.775 1 1 15 . 10 1 1 A 3 3 SER H H 3 8.508 7.987 0.521 1 1 16 . 10 1 1 A 3 3 SER HA H 3 4.331 5.044 -0.713 1 1 19 . 10 1 1 A 3 3 SER C C 3 174.777 173.086 1.691 1 1 20 . 10 1 1 A 3 3 SER CA C 3 58.141 56.773 1.368 1 1 21 . 10 1 1 A 3 3 SER CB C 3 63.359 66.020 -2.661 1 1 22 . 10 1 1 A 3 3 SER N N 3 117.604 112.979 4.625 1 1 23 . 10 1 1 A 4 4 GLY H H 4 8.603 9.080 -0.477 1 1 24 . 10 1 1 A 4 4 GLY HA2 H 4 4.130 4.185 -0.055 1 1 25 . 10 1 1 A 4 4 GLY HA3 H 4 4.076 4.189 -0.113 1 1 26 . 10 1 1 A 4 4 GLY C C 4 174.283 172.521 1.762 1 1 27 . 10 1 1 A 4 4 GLY CA C 4 45.054 44.514 0.540 1 1 28 . 10 1 1 A 4 4 GLY N N 4 111.842 108.461 3.381 1 1 29 . 10 1 1 A 5 5 THR H H 5 8.140 8.440 -0.300 1 1 30 . 10 1 1 A 5 5 THR HA H 5 4.371 4.718 -0.347 1 1 35 . 10 1 1 A 5 5 THR C C 5 174.827 172.850 1.977 1 1 36 . 10 1 1 A 5 5 THR CA C 5 61.515 61.086 0.429 1 1 37 . 10 1 1 A 5 5 THR CB C 5 69.683 71.543 -1.860 1 1 39 . 10 1 1 A 5 5 THR N N 5 112.188 113.887 -1.699 1 1 40 . 10 1 1 A 6 6 GLY H H 6 8.425 8.302 0.123 1 1 41 . 10 1 1 A 6 6 GLY HA2 H 6 4.109 4.157 -0.048 1 1 42 . 10 1 1 A 6 6 GLY HA3 H 6 3.875 4.161 -0.286 1 1 43 . 10 1 1 A 6 6 GLY C C 6 173.670 175.193 -1.523 1 1 44 . 10 1 1 A 6 6 GLY CA C 6 44.466 45.709 -1.243 1 1 45 . 10 1 1 A 6 6 GLY N N 6 110.955 111.314 -0.359 1 1 46 . 10 1 1 A 7 7 LEU H H 7 7.993 8.182 -0.189 1 1 47 . 10 1 1 A 7 7 LEU HA H 7 4.503 3.901 0.602 1 1 53 . 10 1 1 A 7 7 LEU C C 7 177.284 177.885 -0.601 1 1 54 . 10 1 1 A 7 7 LEU CA C 7 54.741 58.170 -3.429 1 1 55 . 10 1 1 A 7 7 LEU CB C 7 39.284 41.773 -2.489 1 1 58 . 10 1 1 A 7 7 LEU N N 7 121.268 121.544 -0.276 1 1 59 . 10 1 1 A 8 8 THR H H 8 10.385 7.459 2.926 1 1 60 . 10 1 1 A 8 8 THR HA H 8 4.521 4.370 0.151 1 1 65 . 10 1 1 A 8 8 THR C C 8 176.965 175.144 1.821 1 1 66 . 10 1 1 A 8 8 THR CA C 8 64.563 62.205 2.358 1 1 67 . 10 1 1 A 8 8 THR CB C 8 71.946 71.497 0.449 1 1 69 . 10 1 1 A 8 8 THR N N 8 113.472 107.614 5.858 1 1 70 . 10 1 1 A 9 9 GLY H H 9 9.733 7.638 2.095 1 1 71 . 10 1 1 A 9 9 GLY HA2 H 9 4.391 3.905 0.486 1 1 72 . 10 1 1 A 9 9 GLY HA3 H 9 3.805 4.077 -0.272 1 1 73 . 10 1 1 A 9 9 GLY C C 9 173.133 173.817 -0.684 1 1 74 . 10 1 1 A 9 9 GLY CA C 9 45.453 46.022 -0.569 1 1 75 . 10 1 1 A 9 9 GLY N N 9 114.948 110.596 4.352 1 1 76 . 10 1 1 A 10 10 ASN H H 10 7.664 7.669 -0.005 1 1 77 . 10 1 1 A 10 10 ASN HA H 10 4.906 4.520 0.386 1 1 82 . 10 1 1 A 10 10 ASN C C 10 173.098 173.020 0.078 1 1 83 . 10 1 1 A 10 10 ASN CA C 10 51.504 51.446 0.058 1 1 84 . 10 1 1 A 10 10 ASN CB C 10 38.449 39.162 -0.713 1 1 85 . 10 1 1 A 10 10 ASN N N 10 120.991 118.648 2.343 1 1 87 . 10 1 1 A 11 11 TYR H H 11 8.892 7.817 1.075 1 1 88 . 10 1 1 A 11 11 TYR HA H 11 3.767 5.347 -1.580 1 1 91 . 10 1 1 A 11 11 TYR C C 11 177.871 176.119 1.752 1 1 92 . 10 1 1 A 11 11 TYR CA C 11 61.897 57.264 4.633 1 1 93 . 10 1 1 A 11 11 TYR CB C 11 38.099 40.608 -2.509 1 1 94 . 10 1 1 A 11 11 TYR N N 11 128.653 119.592 9.061 1 1 95 . 10 1 1 A 12 12 SER H H 12 8.729 8.815 -0.086 1 1 96 . 10 1 1 A 12 12 SER HA H 12 3.747 4.595 -0.848 1 1 99 . 10 1 1 A 12 12 SER C C 12 174.675 176.666 -1.991 1 1 100 . 10 1 1 A 12 12 SER CA C 12 62.371 62.284 0.087 1 1 101 . 10 1 1 A 12 12 SER CB C 12 61.600 63.061 -1.461 1 1 102 . 10 1 1 A 12 12 SER N N 12 119.446 116.255 3.191 1 1 103 . 10 1 1 A 13 13 GLN H H 13 7.645 8.469 -0.824 1 1 104 . 10 1 1 A 13 13 GLN HA H 13 3.955 4.051 -0.096 1 1 110 . 10 1 1 A 13 13 GLN C C 13 178.400 178.546 -0.146 1 1 111 . 10 1 1 A 13 13 GLN CA C 13 58.083 59.136 -1.053 1 1 112 . 10 1 1 A 13 13 GLN CB C 13 28.328 28.224 0.104 1 1 114 . 10 1 1 A 13 13 GLN N N 13 121.234 121.494 -0.260 1 1 116 . 10 1 1 A 14 14 ASP H H 14 9.314 8.221 1.093 1 1 117 . 10 1 1 A 14 14 ASP HA H 14 4.513 4.414 0.099 1 1 120 . 10 1 1 A 14 14 ASP C C 14 177.320 178.847 -1.527 1 1 121 . 10 1 1 A 14 14 ASP CA C 14 56.778 57.123 -0.345 1 1 122 . 10 1 1 A 14 14 ASP CB C 14 40.380 40.544 -0.164 1 1 123 . 10 1 1 A 14 14 ASP N N 14 120.095 119.849 0.246 1 1 124 . 10 1 1 A 15 15 THR H H 15 8.283 8.113 0.170 1 1 125 . 10 1 1 A 15 15 THR HA H 15 3.637 3.935 -0.298 1 1 130 . 10 1 1 A 15 15 THR C C 15 174.455 176.264 -1.809 1 1 131 . 10 1 1 A 15 15 THR CA C 15 67.657 67.482 0.175 1 1 132 . 10 1 1 A 15 15 THR CB C 15 67.465 68.582 -1.117 1 1 134 . 10 1 1 A 15 15 THR N N 15 117.657 116.932 0.725 1 1 135 . 10 1 1 A 16 16 LEU H H 16 7.452 8.010 -0.558 1 1 136 . 10 1 1 A 16 16 LEU HA H 16 3.919 3.923 -0.004 1 1 140 . 10 1 1 A 16 16 LEU C C 16 179.666 179.410 0.256 1 1 141 . 10 1 1 A 16 16 LEU CA C 16 57.864 58.062 -0.198 1 1 142 . 10 1 1 A 16 16 LEU CB C 16 39.811 41.524 -1.713 1 1 144 . 10 1 1 A 16 16 LEU N N 16 120.034 120.376 -0.342 1 1 145 . 10 1 1 A 17 17 THR H H 17 8.708 7.711 0.997 1 1 146 . 10 1 1 A 17 17 THR HA H 17 3.893 3.912 -0.019 1 1 151 . 10 1 1 A 17 17 THR C C 17 179.666 176.860 2.806 1 1 152 . 10 1 1 A 17 17 THR CA C 17 66.152 66.930 -0.778 1 1 153 . 10 1 1 A 17 17 THR CB C 17 67.921 68.388 -0.467 1 1 155 . 10 1 1 A 17 17 THR N N 17 121.382 115.805 5.577 1 1 156 . 10 1 1 A 18 18 VAL H H 18 8.194 8.858 -0.664 1 1 157 . 10 1 1 A 18 18 VAL HA H 18 3.705 3.577 0.128 1 1 165 . 10 1 1 A 18 18 VAL C C 18 177.242 177.850 -0.608 1 1 166 . 10 1 1 A 18 18 VAL CA C 18 65.886 67.008 -1.122 1 1 167 . 10 1 1 A 18 18 VAL CB C 18 30.729 31.771 -1.042 1 1 170 . 10 1 1 A 18 18 VAL N N 18 123.227 121.628 1.599 1 1 171 . 10 1 1 A 19 19 ILE H H 19 7.933 9.089 -1.156 1 1 172 . 10 1 1 A 19 19 ILE HA H 19 2.633 3.446 -0.813 1 1 182 . 10 1 1 A 19 19 ILE C C 19 176.276 178.614 -2.338 1 1 183 . 10 1 1 A 19 19 ILE CA C 19 66.137 63.748 2.389 1 1 184 . 10 1 1 A 19 19 ILE CB C 19 37.782 36.633 1.149 1 1 188 . 10 1 1 A 19 19 ILE N N 19 119.786 119.151 0.635 1 1 189 . 10 1 1 A 20 20 ALA H H 20 7.782 7.844 -0.062 1 1 190 . 10 1 1 A 20 20 ALA HA H 20 3.972 3.976 -0.004 1 1 194 . 10 1 1 A 20 20 ALA C C 20 180.867 179.855 1.012 1 1 195 . 10 1 1 A 20 20 ALA CA C 20 55.170 55.195 -0.025 1 1 196 . 10 1 1 A 20 20 ALA CB C 20 17.282 18.334 -1.052 1 1 197 . 10 1 1 A 20 20 ALA N N 20 121.793 123.927 -2.134 1 1 198 . 10 1 1 A 21 21 THR H H 21 8.573 7.538 1.035 1 1 199 . 10 1 1 A 21 21 THR HA H 21 3.902 3.941 -0.039 1 1 204 . 10 1 1 A 21 21 THR C C 21 176.720 176.808 -0.088 1 1 205 . 10 1 1 A 21 21 THR CA C 21 65.200 66.507 -1.307 1 1 206 . 10 1 1 A 21 21 THR CB C 21 68.092 68.252 -0.160 1 1 208 . 10 1 1 A 21 21 THR N N 21 118.393 114.543 3.850 1 1 209 . 10 1 1 A 22 22 LEU H H 22 8.583 8.348 0.235 1 1 210 . 10 1 1 A 22 22 LEU HA H 22 4.065 3.917 0.148 1 1 217 . 10 1 1 A 22 22 LEU C C 22 178.284 178.742 -0.458 1 1 218 . 10 1 1 A 22 22 LEU CA C 22 57.005 57.925 -0.920 1 1 219 . 10 1 1 A 22 22 LEU CB C 22 40.209 41.716 -1.507 1 1 223 . 10 1 1 A 22 22 LEU N N 22 122.517 122.008 0.509 1 1 224 . 10 1 1 A 23 23 ARG H H 23 8.858 8.441 0.417 1 1 225 . 10 1 1 A 23 23 ARG HA H 23 3.873 3.948 -0.075 1 1 230 . 10 1 1 A 23 23 ARG C C 23 178.503 179.341 -0.838 1 1 231 . 10 1 1 A 23 23 ARG CA C 23 60.362 59.091 1.271 1 1 232 . 10 1 1 A 23 23 ARG CB C 23 29.808 29.326 0.482 1 1 235 . 10 1 1 A 23 23 ARG N N 23 120.502 118.454 2.048 1 1 237 . 10 1 1 A 24 24 GLU H H 24 7.250 7.944 -0.694 1 1 238 . 10 1 1 A 24 24 GLU HA H 24 4.109 4.328 -0.219 1 1 243 . 10 1 1 A 24 24 GLU CA C 24 58.312 58.880 -0.568 1 1 244 . 10 1 1 A 24 24 GLU CB C 24 29.024 28.937 0.087 1 1 246 . 10 1 1 A 24 24 GLU N N 24 117.221 119.425 -2.204 1 1 247 . 10 1 1 A 25 25 ALA H H 25 8.223 7.921 0.302 1 1 248 . 10 1 1 A 25 25 ALA HA H 25 3.983 4.128 -0.145 1 1 252 . 10 1 1 A 25 25 ALA C C 25 180.617 179.589 1.028 1 1 253 . 10 1 1 A 25 25 ALA CA C 25 55.203 55.246 -0.043 1 1 254 . 10 1 1 A 25 25 ALA CB C 25 17.657 18.650 -0.993 1 1 255 . 10 1 1 A 25 25 ALA N N 25 121.823 122.200 -0.377 1 1 256 . 10 1 1 A 26 26 ILE H H 26 8.552 7.459 1.093 1 1 257 . 10 1 1 A 26 26 ILE HA H 26 4.144 3.917 0.227 1 1 267 . 10 1 1 A 26 26 ILE C C 26 175.586 176.372 -0.786 1 1 268 . 10 1 1 A 26 26 ILE CA C 26 63.790 63.171 0.619 1 1 269 . 10 1 1 A 26 26 ILE CB C 26 37.496 37.667 -0.171 1 1 273 . 10 1 1 A 26 26 ILE N N 26 112.838 119.053 -6.215 1 1 274 . 10 1 1 A 27 27 ASP H H 27 7.175 7.909 -0.734 1 1 275 . 10 1 1 A 27 27 ASP HA H 27 4.934 4.861 0.073 1 1 278 . 10 1 1 A 27 27 ASP C C 27 175.602 175.950 -0.348 1 1 279 . 10 1 1 A 27 27 ASP CA C 27 53.160 52.987 0.173 1 1 280 . 10 1 1 A 27 27 ASP CB C 27 41.754 40.771 0.983 1 1 281 . 10 1 1 A 27 27 ASP N N 27 120.840 118.256 2.584 1 1 282 . 10 1 1 A 28 28 LEU H H 28 7.136 7.341 -0.205 1 1 283 . 10 1 1 A 28 28 LEU HA H 28 4.510 4.668 -0.158 1 1 290 . 10 1 1 A 28 28 LEU CA C 28 53.379 52.948 0.431 1 1 291 . 10 1 1 A 28 28 LEU CB C 28 42.286 41.869 0.417 1 1 294 . 10 1 1 A 28 28 LEU N N 28 124.155 117.689 6.466 1 1 295 . 10 1 1 A 29 29 PRO HA H 29 4.552 4.495 0.057 1 1 301 . 10 1 1 A 29 29 PRO C C 29 177.414 177.509 -0.095 1 1 302 . 10 1 1 A 29 29 PRO CA C 29 62.506 63.267 -0.761 1 1 303 . 10 1 1 A 29 29 PRO CB C 29 32.263 32.761 -0.498 1 1 305 . 10 1 1 A 30 30 GLN H H 30 8.935 8.573 0.362 1 1 306 . 10 1 1 A 30 30 GLN HA H 30 3.966 4.063 -0.097 1 1 311 . 10 1 1 A 30 30 GLN C C 30 175.595 176.758 -1.163 1 1 312 . 10 1 1 A 30 30 GLN CA C 30 58.036 58.329 -0.293 1 1 313 . 10 1 1 A 30 30 GLN CB C 30 28.116 28.352 -0.236 1 1 315 . 10 1 1 A 30 30 GLN N N 30 122.119 121.762 0.357 1 1 317 . 10 1 1 A 31 31 ASP H H 31 8.353 7.900 0.453 1 1 318 . 10 1 1 A 31 31 ASP HA H 31 4.682 4.652 0.030 1 1 321 . 10 1 1 A 31 31 ASP C C 31 175.518 175.668 -0.150 1 1 322 . 10 1 1 A 31 31 ASP CA C 31 52.178 54.262 -2.084 1 1 323 . 10 1 1 A 31 31 ASP CB C 31 39.270 41.374 -2.104 1 1 324 . 10 1 1 A 31 31 ASP N N 31 115.909 118.257 -2.348 1 1 325 . 10 1 1 A 32 32 ALA H H 32 7.467 7.332 0.135 1 1 326 . 10 1 1 A 32 32 ALA HA H 32 4.564 4.796 -0.232 1 1 330 . 10 1 1 A 32 32 ALA CA C 32 50.496 50.067 0.429 1 1 331 . 10 1 1 A 32 32 ALA CB C 32 17.852 18.990 -1.138 1 1 332 . 10 1 1 A 32 32 ALA N N 32 124.893 122.371 2.522 1 1 333 . 10 1 1 A 33 33 PRO HA H 33 4.494 4.431 0.063 1 1 339 . 10 1 1 A 33 33 PRO C C 33 176.278 177.031 -0.753 1 1 340 . 10 1 1 A 33 33 PRO CA C 33 63.894 64.322 -0.428 1 1 341 . 10 1 1 A 33 33 PRO CB C 33 31.354 32.080 -0.726 1 1 344 . 10 1 1 A 34 34 ASN H H 34 8.577 8.560 0.017 1 1 345 . 10 1 1 A 34 34 ASN HA H 34 5.041 5.002 0.039 1 1 350 . 10 1 1 A 34 34 ASN C C 34 174.678 175.839 -1.161 1 1 351 . 10 1 1 A 34 34 ASN CA C 34 51.792 52.833 -1.041 1 1 352 . 10 1 1 A 34 34 ASN CB C 34 36.334 39.261 -2.927 1 1 353 . 10 1 1 A 34 34 ASN N N 34 115.598 116.702 -1.104 1 1 355 . 10 1 1 A 35 35 ARG H H 35 7.401 8.111 -0.710 1 1 356 . 10 1 1 A 35 35 ARG HA H 35 3.726 4.049 -0.323 1 1 363 . 10 1 1 A 35 35 ARG C C 35 176.887 178.242 -1.355 1 1 364 . 10 1 1 A 35 35 ARG CA C 35 60.063 60.313 -0.250 1 1 365 . 10 1 1 A 35 35 ARG CB C 35 29.571 30.174 -0.603 1 1 368 . 10 1 1 A 35 35 ARG N N 35 119.690 121.049 -1.359 1 1 370 . 10 1 1 A 36 36 GLN H H 36 8.780 8.006 0.774 1 1 371 . 10 1 1 A 36 36 GLN HA H 36 3.805 4.237 -0.432 1 1 377 . 10 1 1 A 36 36 GLN CA C 36 58.618 59.053 -0.435 1 1 378 . 10 1 1 A 36 36 GLN CB C 36 27.595 28.511 -0.916 1 1 380 . 10 1 1 A 36 36 GLN N N 36 119.100 119.318 -0.218 1 1 382 . 10 1 1 A 37 37 GLU H H 37 8.128 7.947 0.181 1 1 383 . 10 1 1 A 37 37 GLU HA H 37 4.137 4.170 -0.033 1 1 387 . 10 1 1 A 37 37 GLU C C 37 179.222 179.012 0.210 1 1 388 . 10 1 1 A 37 37 GLU CA C 37 59.336 58.882 0.454 1 1 389 . 10 1 1 A 37 37 GLU CB C 37 28.781 29.556 -0.775 1 1 391 . 10 1 1 A 37 37 GLU N N 37 120.485 120.231 0.254 1 1 392 . 10 1 1 A 38 38 VAL H H 38 8.127 8.858 -0.731 1 1 393 . 10 1 1 A 38 38 VAL HA H 38 3.708 3.655 0.053 1 1 401 . 10 1 1 A 38 38 VAL C C 38 178.246 177.897 0.349 1 1 402 . 10 1 1 A 38 38 VAL CA C 38 66.019 66.508 -0.489 1 1 403 . 10 1 1 A 38 38 VAL CB C 38 31.008 31.660 -0.652 1 1 406 . 10 1 1 A 38 38 VAL N N 38 121.937 119.953 1.984 1 1 407 . 10 1 1 A 39 39 GLN H H 39 8.324 8.157 0.167 1 1 408 . 10 1 1 A 39 39 GLN HA H 39 3.764 3.970 -0.206 1 1 415 . 10 1 1 A 39 39 GLN C C 39 177.642 177.749 -0.107 1 1 416 . 10 1 1 A 39 39 GLN CA C 39 59.019 58.955 0.064 1 1 417 . 10 1 1 A 39 39 GLN CB C 39 27.176 28.402 -1.226 1 1 419 . 10 1 1 A 39 39 GLN N N 39 120.203 120.206 -0.003 1 1 421 . 10 1 1 A 40 40 ASP H H 40 8.699 8.720 -0.021 1 1 422 . 10 1 1 A 40 40 ASP HA H 40 4.391 4.379 0.012 1 1 425 . 10 1 1 A 40 40 ASP C C 40 179.726 178.605 1.121 1 1 426 . 10 1 1 A 40 40 ASP CA C 40 57.267 57.606 -0.339 1 1 427 . 10 1 1 A 40 40 ASP CB C 40 39.458 41.600 -2.142 1 1 428 . 10 1 1 A 40 40 ASP N N 40 121.604 119.719 1.885 1 1 429 . 10 1 1 A 41 41 THR H H 41 8.449 7.923 0.526 1 1 430 . 10 1 1 A 41 41 THR HA H 41 3.981 3.957 0.024 1 1 435 . 10 1 1 A 41 41 THR CA C 41 66.254 65.978 0.276 1 1 436 . 10 1 1 A 41 41 THR CB C 41 67.937 68.233 -0.296 1 1 437 . 10 1 1 A 41 41 THR N N 41 121.386 116.231 5.155 1 1 438 . 10 1 1 A 42 42 ALA H H 42 8.552 7.798 0.754 1 1 439 . 10 1 1 A 42 42 ALA HA H 42 3.876 3.970 -0.094 1 1 443 . 10 1 1 A 42 42 ALA C C 42 178.300 179.823 -1.523 1 1 444 . 10 1 1 A 42 42 ALA CA C 42 55.244 55.073 0.171 1 1 445 . 10 1 1 A 42 42 ALA CB C 42 17.295 18.280 -0.985 1 1 446 . 10 1 1 A 42 42 ALA N N 42 126.245 123.507 2.738 1 1 447 . 10 1 1 A 43 43 ARG H H 43 8.553 7.907 0.646 1 1 448 . 10 1 1 A 43 43 ARG HA H 43 3.923 4.154 -0.231 1 1 451 . 10 1 1 A 43 43 ARG C C 43 178.522 179.344 -0.822 1 1 452 . 10 1 1 A 43 43 ARG CA C 43 59.680 59.768 -0.088 1 1 453 . 10 1 1 A 43 43 ARG CB C 43 29.887 30.001 -0.114 1 1 454 . 10 1 1 A 43 43 ARG N N 43 117.705 119.373 -1.668 1 1 455 . 10 1 1 A 44 44 GLY H H 44 8.049 8.050 -0.001 1 1 456 . 10 1 1 A 44 44 GLY HA2 H 44 4.066 3.810 0.256 1 1 457 . 10 1 1 A 44 44 GLY HA3 H 44 3.972 3.817 0.155 1 1 458 . 10 1 1 A 44 44 GLY CA C 44 46.710 47.486 -0.776 1 1 459 . 10 1 1 A 44 44 GLY N N 44 106.443 107.012 -0.569 1 1 460 . 10 1 1 A 45 45 GLN H H 45 8.305 7.441 0.864 1 1 461 . 10 1 1 A 45 45 GLN HA H 45 4.204 4.055 0.149 1 1 466 . 10 1 1 A 45 45 GLN C C 45 177.942 178.817 -0.875 1 1 467 . 10 1 1 A 45 45 GLN CA C 45 59.930 58.474 1.456 1 1 468 . 10 1 1 A 45 45 GLN CB C 45 28.520 28.456 0.064 1 1 470 . 10 1 1 A 45 45 GLN N N 45 123.780 120.826 2.954 1 1 472 . 10 1 1 A 46 46 ILE H H 46 8.673 7.800 0.873 1 1 473 . 10 1 1 A 46 46 ILE HA H 46 3.594 3.696 -0.102 1 1 483 . 10 1 1 A 46 46 ILE C C 46 176.649 177.831 -1.182 1 1 484 . 10 1 1 A 46 46 ILE CA C 46 66.299 65.677 0.622 1 1 485 . 10 1 1 A 46 46 ILE CB C 46 37.762 38.207 -0.445 1 1 489 . 10 1 1 A 46 46 ILE N N 46 120.050 121.185 -1.135 1 1 490 . 10 1 1 A 47 47 ASN H H 47 7.866 8.533 -0.667 1 1 491 . 10 1 1 A 47 47 ASN HA H 47 4.525 4.435 0.090 1 1 495 . 10 1 1 A 47 47 ASN C C 47 176.649 177.335 -0.686 1 1 496 . 10 1 1 A 47 47 ASN CA C 47 55.703 56.854 -1.151 1 1 497 . 10 1 1 A 47 47 ASN CB C 47 37.925 39.944 -2.019 1 1 498 . 10 1 1 A 47 47 ASN N N 47 116.444 118.826 -2.382 1 1 500 . 10 1 1 A 48 48 ASP H H 48 8.185 8.099 0.086 1 1 501 . 10 1 1 A 48 48 ASP HA H 48 4.460 4.740 -0.280 1 1 504 . 10 1 1 A 48 48 ASP C C 48 176.285 178.349 -2.064 1 1 505 . 10 1 1 A 48 48 ASP CA C 48 56.635 57.195 -0.560 1 1 506 . 10 1 1 A 48 48 ASP CB C 48 41.593 41.159 0.434 1 1 507 . 10 1 1 A 48 48 ASP N N 48 121.725 118.033 3.692 1 1 508 . 10 1 1 A 49 49 TYR H H 49 8.756 9.202 -0.446 1 1 509 . 10 1 1 A 49 49 TYR HA H 49 3.892 4.365 -0.473 1 1 512 . 10 1 1 A 49 49 TYR C C 49 176.432 177.132 -0.700 1 1 513 . 10 1 1 A 49 49 TYR CA C 49 62.617 61.538 1.079 1 1 514 . 10 1 1 A 49 49 TYR CB C 49 39.188 38.881 0.307 1 1 515 . 10 1 1 A 49 49 TYR N N 49 121.005 121.717 -0.712 1 1 516 . 10 1 1 A 50 50 ILE H H 50 8.481 8.959 -0.478 1 1 517 . 10 1 1 A 50 50 ILE HA H 50 3.901 3.911 -0.010 1 1 527 . 10 1 1 A 50 50 ILE C C 50 177.407 178.157 -0.750 1 1 528 . 10 1 1 A 50 50 ILE CA C 50 63.893 63.891 0.002 1 1 529 . 10 1 1 A 50 50 ILE CB C 50 36.668 36.962 -0.294 1 1 533 . 10 1 1 A 50 50 ILE N N 50 117.237 120.059 -2.822 1 1 534 . 10 1 1 A 51 51 SER H H 51 7.870 8.001 -0.131 1 1 535 . 10 1 1 A 51 51 SER HA H 51 4.203 4.128 0.075 1 1 538 . 10 1 1 A 51 51 SER C C 51 177.413 175.560 1.853 1 1 539 . 10 1 1 A 51 51 SER CA C 51 61.003 61.881 -0.878 1 1 540 . 10 1 1 A 51 51 SER CB C 51 62.711 63.024 -0.313 1 1 541 . 10 1 1 A 51 51 SER N N 51 113.635 117.105 -3.470 1 1 542 . 10 1 1 A 52 52 ARG H H 52 8.386 7.212 1.174 1 1 543 . 10 1 1 A 52 52 ARG HA H 52 3.816 4.516 -0.700 1 1 551 . 10 1 1 A 52 52 ARG C C 52 178.788 175.144 3.644 1 1 552 . 10 1 1 A 52 52 ARG CA C 52 58.343 55.760 2.583 1 1 553 . 10 1 1 A 52 52 ARG CB C 52 30.053 31.832 -1.779 1 1 556 . 10 1 1 A 52 52 ARG N N 52 120.787 115.313 5.474 1 1 558 . 10 1 1 A 53 53 TYR H H 53 7.428 7.416 0.012 1 1 559 . 10 1 1 A 53 53 TYR HA H 53 4.667 4.656 0.011 1 1 562 . 10 1 1 A 53 53 TYR C C 53 174.743 175.462 -0.719 1 1 563 . 10 1 1 A 53 53 TYR CA C 53 57.922 56.087 1.835 1 1 564 . 10 1 1 A 53 53 TYR CB C 53 38.030 38.590 -0.560 1 1 565 . 10 1 1 A 53 53 TYR N N 53 115.269 120.246 -4.977 1 1 566 . 10 1 1 A 54 54 ARG H H 54 7.775 7.781 -0.006 1 1 567 . 10 1 1 A 54 54 ARG HA H 54 4.249 4.057 0.192 1 1 570 . 10 1 1 A 54 54 ARG C C 54 177.121 176.179 0.942 1 1 571 . 10 1 1 A 54 54 ARG CA C 54 58.720 56.038 2.682 1 1 572 . 10 1 1 A 54 54 ARG CB C 54 29.345 31.081 -1.736 1 1 573 . 10 1 1 A 54 54 ARG N N 54 120.518 122.410 -1.892 1 1 574 . 10 1 1 A 55 55 ARG H H 55 8.319 7.379 0.940 1 1 575 . 10 1 1 A 55 55 ARG HA H 55 4.249 3.945 0.304 1 1 577 . 10 1 1 A 55 55 ARG C C 55 177.395 174.983 2.412 1 1 578 . 10 1 1 A 55 55 ARG CA C 55 56.766 56.553 0.213 1 1 579 . 10 1 1 A 55 55 ARG CB C 55 29.231 30.492 -1.261 1 1 580 . 10 1 1 A 55 55 ARG N N 55 119.094 121.265 -2.171 1 1 581 . 10 1 1 A 56 56 LYS H H 56 8.062 8.324 -0.262 1 1 582 . 10 1 1 A 56 56 LYS HA H 56 4.069 4.502 -0.433 1 1 588 . 10 1 1 A 56 56 LYS C C 56 177.177 175.497 1.680 1 1 589 . 10 1 1 A 56 56 LYS CA C 56 56.740 54.664 2.076 1 1 590 . 10 1 1 A 56 56 LYS CB C 56 31.291 33.176 -1.885 1 1 594 . 10 1 1 A 56 56 LYS N N 56 121.271 125.059 -3.788 1 1 595 . 10 1 1 A 57 57 GLY H H 57 8.138 8.642 -0.504 1 1 596 . 10 1 1 A 57 57 GLY HA2 H 57 4.055 3.834 0.221 1 1 597 . 10 1 1 A 57 57 GLY HA3 H 57 3.766 3.845 -0.079 1 1 598 . 10 1 1 A 57 57 GLY C C 57 174.196 174.518 -0.322 1 1 599 . 10 1 1 A 57 57 GLY CA C 57 45.336 47.009 -1.673 1 1 600 . 10 1 1 A 57 57 GLY N N 57 108.747 114.435 -5.688 1 1 601 . 10 1 1 A 58 58 ASP H H 58 7.937 7.900 0.037 1 1 602 . 10 1 1 A 58 58 ASP HA H 58 4.571 4.459 0.112 1 1 604 . 10 1 1 A 58 58 ASP CA C 58 54.548 54.387 0.161 1 1 605 . 10 1 1 A 58 58 ASP CB C 58 40.254 40.537 -0.283 1 1 606 . 10 1 1 A 58 58 ASP N N 58 121.456 119.383 2.073 1 1 607 . 10 1 1 A 59 59 ALA H H 59 8.150 8.604 -0.454 1 1 608 . 10 1 1 A 59 59 ALA HA H 59 4.178 4.421 -0.243 1 1 612 . 10 1 1 A 59 59 ALA C C 59 177.927 177.758 0.169 1 1 613 . 10 1 1 A 59 59 ALA CA C 59 52.751 51.271 1.480 1 1 614 . 10 1 1 A 59 59 ALA CB C 59 18.062 19.845 -1.783 1 1 615 . 10 1 1 A 59 59 ALA N N 59 123.316 125.300 -1.984 1 1 616 . 10 1 1 A 60 60 GLY H H 60 8.190 8.956 -0.766 1 1 617 . 10 1 1 A 60 60 GLY HA2 H 60 3.954 3.917 0.037 1 1 618 . 10 1 1 A 60 60 GLY HA3 H 60 3.962 3.921 0.041 1 1 619 . 10 1 1 A 60 60 GLY C C 60 174.572 174.283 0.289 1 1 620 . 10 1 1 A 60 60 GLY CA C 60 45.301 45.199 0.102 1 1 621 . 10 1 1 A 60 60 GLY N N 60 107.588 108.197 -0.609 1 1 622 . 10 1 1 A 61 61 GLY H H 61 8.014 8.557 -0.543 1 1 623 . 10 1 1 A 61 61 GLY HA2 H 61 4.068 4.168 -0.100 1 1 624 . 10 1 1 A 61 61 GLY HA3 H 61 3.882 4.311 -0.429 1 1 625 . 10 1 1 A 61 61 GLY C C 61 173.560 172.977 0.583 1 1 626 . 10 1 1 A 61 61 GLY CA C 61 44.784 44.595 0.189 1 1 627 . 10 1 1 A 61 61 GLY N N 61 108.839 108.002 0.837 1 1 628 . 10 1 1 A 62 62 LEU H H 62 8.038 8.725 -0.687 1 1 629 . 10 1 1 A 62 62 LEU HA H 62 4.528 4.795 -0.267 1 1 636 . 10 1 1 A 62 62 LEU C C 62 177.058 178.094 -1.036 1 1 637 . 10 1 1 A 62 62 LEU CA C 62 54.038 53.606 0.432 1 1 638 . 10 1 1 A 62 62 LEU CB C 62 42.254 42.953 -0.699 1 1 641 . 10 1 1 A 62 62 LEU N N 62 122.191 121.636 0.555 1 1 642 . 10 1 1 A 63 63 LYS H H 63 9.378 8.612 0.766 1 1 643 . 10 1 1 A 63 63 LYS HA H 63 4.223 4.026 0.197 1 1 647 . 10 1 1 A 63 63 LYS C C 63 179.928 179.008 0.920 1 1 648 . 10 1 1 A 63 63 LYS CA C 63 58.665 59.633 -0.968 1 1 649 . 10 1 1 A 63 63 LYS CB C 63 31.663 32.404 -0.741 1 1 651 . 10 1 1 A 63 63 LYS N N 63 129.582 122.364 7.218 1 1 652 . 10 1 1 A 64 64 SER H H 64 10.250 8.271 1.979 1 1 653 . 10 1 1 A 64 64 SER HA H 64 4.169 4.447 -0.278 1 1 656 . 10 1 1 A 64 64 SER C C 64 175.569 176.055 -0.486 1 1 657 . 10 1 1 A 64 64 SER CA C 64 61.010 62.472 -1.462 1 1 658 . 10 1 1 A 64 64 SER N N 64 117.647 116.619 1.028 1 1 659 . 10 1 1 A 65 65 PHE H H 65 7.035 7.746 -0.711 1 1 660 . 10 1 1 A 65 65 PHE HA H 65 4.444 4.251 0.193 1 1 663 . 10 1 1 A 65 65 PHE C C 65 176.884 177.116 -0.232 1 1 664 . 10 1 1 A 65 65 PHE CA C 65 61.911 61.459 0.452 1 1 665 . 10 1 1 A 65 65 PHE CB C 65 38.861 39.424 -0.563 1 1 666 . 10 1 1 A 65 65 PHE N N 65 123.056 122.954 0.102 1 1 667 . 10 1 1 A 66 66 THR H H 66 8.475 8.203 0.272 1 1 668 . 10 1 1 A 66 66 THR HA H 66 3.932 3.453 0.479 1 1 673 . 10 1 1 A 66 66 THR C C 66 176.884 176.063 0.821 1 1 674 . 10 1 1 A 66 66 THR CA C 66 66.236 65.609 0.627 1 1 675 . 10 1 1 A 66 66 THR CB C 66 67.993 68.254 -0.261 1 1 677 . 10 1 1 A 66 66 THR N N 66 115.996 114.010 1.986 1 1 678 . 10 1 1 A 67 67 THR H H 67 8.100 7.865 0.235 1 1 679 . 10 1 1 A 67 67 THR HA H 67 3.979 3.969 0.010 1 1 684 . 10 1 1 A 67 67 THR CA C 67 66.516 65.683 0.833 1 1 685 . 10 1 1 A 67 67 THR CB C 67 68.188 68.241 -0.053 1 1 687 . 10 1 1 A 67 67 THR N N 67 120.365 113.394 6.971 1 1 688 . 10 1 1 A 68 68 MET H H 68 8.134 7.668 0.466 1 1 689 . 10 1 1 A 68 68 MET HA H 68 4.429 3.900 0.529 1 1 697 . 10 1 1 A 68 68 MET C C 68 177.682 178.647 -0.965 1 1 698 . 10 1 1 A 68 68 MET CA C 68 56.239 59.083 -2.844 1 1 699 . 10 1 1 A 68 68 MET CB C 68 30.516 32.313 -1.797 1 1 702 . 10 1 1 A 68 68 MET N N 68 120.545 120.154 0.391 1 1 703 . 10 1 1 A 69 69 GLN H H 69 9.139 6.828 2.311 1 1 704 . 10 1 1 A 69 69 GLN HA H 69 3.694 4.181 -0.487 1 1 711 . 10 1 1 A 69 69 GLN C C 69 177.433 178.193 -0.760 1 1 712 . 10 1 1 A 69 69 GLN CA C 69 59.779 58.006 1.773 1 1 713 . 10 1 1 A 69 69 GLN CB C 69 28.547 28.176 0.371 1 1 715 . 10 1 1 A 69 69 GLN N N 69 120.358 118.469 1.889 1 1 717 . 10 1 1 A 70 70 THR H H 70 7.809 7.943 -0.134 1 1 718 . 10 1 1 A 70 70 THR HA H 70 3.979 3.956 0.023 1 1 723 . 10 1 1 A 70 70 THR C C 70 176.394 176.294 0.100 1 1 724 . 10 1 1 A 70 70 THR CA C 70 66.028 66.389 -0.361 1 1 725 . 10 1 1 A 70 70 THR CB C 70 68.198 69.110 -0.912 1 1 727 . 10 1 1 A 70 70 THR N N 70 116.198 116.644 -0.446 1 1 728 . 10 1 1 A 71 71 ALA H H 71 7.859 8.387 -0.528 1 1 729 . 10 1 1 A 71 71 ALA HA H 71 3.994 4.128 -0.134 1 1 733 . 10 1 1 A 71 71 ALA CA C 71 54.902 55.073 -0.171 1 1 734 . 10 1 1 A 71 71 ALA CB C 71 17.926 18.534 -0.608 1 1 735 . 10 1 1 A 71 71 ALA N N 71 126.667 124.282 2.385 1 1 736 . 10 1 1 A 72 72 LEU H H 72 9.261 7.886 1.375 1 1 737 . 10 1 1 A 72 72 LEU HA H 72 3.915 4.140 -0.225 1 1 743 . 10 1 1 A 72 72 LEU C C 72 179.219 178.333 0.886 1 1 744 . 10 1 1 A 72 72 LEU CA C 72 58.406 58.203 0.203 1 1 745 . 10 1 1 A 72 72 LEU CB C 72 38.744 41.646 -2.902 1 1 747 . 10 1 1 A 72 72 LEU N N 72 119.657 120.617 -0.960 1 1 748 . 10 1 1 A 73 73 ASN H H 73 8.542 7.854 0.688 1 1 749 . 10 1 1 A 73 73 ASN HA H 73 4.606 4.430 0.176 1 1 754 . 10 1 1 A 73 73 ASN CA C 73 55.711 56.267 -0.556 1 1 755 . 10 1 1 A 73 73 ASN CB C 73 37.398 38.366 -0.968 1 1 756 . 10 1 1 A 73 73 ASN N N 73 118.851 117.067 1.784 1 1 758 . 10 1 1 A 74 74 SER H H 74 7.849 7.846 0.003 1 1 759 . 10 1 1 A 74 74 SER HA H 74 4.379 4.162 0.217 1 1 762 . 10 1 1 A 74 74 SER C C 74 175.881 176.803 -0.922 1 1 763 . 10 1 1 A 74 74 SER CA C 74 61.405 61.456 -0.051 1 1 764 . 10 1 1 A 74 74 SER N N 74 118.042 114.342 3.700 1 1 765 . 10 1 1 A 75 75 LEU H H 75 8.084 9.086 -1.002 1 1 766 . 10 1 1 A 75 75 LEU HA H 75 4.181 4.094 0.087 1 1 773 . 10 1 1 A 75 75 LEU C C 75 176.899 178.852 -1.953 1 1 774 . 10 1 1 A 75 75 LEU CA C 75 56.746 57.952 -1.206 1 1 775 . 10 1 1 A 75 75 LEU CB C 75 41.896 41.685 0.211 1 1 777 . 10 1 1 A 75 75 LEU N N 75 124.099 119.499 4.600 1 1 778 . 10 1 1 A 76 76 ALA H H 76 8.695 7.918 0.777 1 1 779 . 10 1 1 A 76 76 ALA HA H 76 4.134 4.108 0.026 1 1 783 . 10 1 1 A 76 76 ALA C C 76 180.159 179.887 0.272 1 1 784 . 10 1 1 A 76 76 ALA CA C 76 55.315 55.110 0.205 1 1 785 . 10 1 1 A 76 76 ALA CB C 76 17.624 18.576 -0.952 1 1 786 . 10 1 1 A 76 76 ALA N N 76 121.934 122.125 -0.191 1 1 787 . 10 1 1 A 77 77 GLY H H 77 8.198 8.229 -0.031 1 1 788 . 10 1 1 A 77 77 GLY HA2 H 77 3.917 3.445 0.472 1 1 789 . 10 1 1 A 77 77 GLY HA3 H 77 3.925 3.583 0.342 1 1 790 . 10 1 1 A 77 77 GLY C C 77 175.177 176.466 -1.289 1 1 791 . 10 1 1 A 77 77 GLY CA C 77 46.066 47.054 -0.988 1 1 792 . 10 1 1 A 77 77 GLY N N 77 105.613 106.697 -1.084 1 1 793 . 10 1 1 A 78 78 TYR H H 78 7.973 7.741 0.232 1 1 794 . 10 1 1 A 78 78 TYR HA H 78 4.326 4.812 -0.486 1 1 797 . 10 1 1 A 78 78 TYR C C 78 176.705 177.547 -0.842 1 1 798 . 10 1 1 A 78 78 TYR CA C 78 61.280 59.977 1.303 1 1 799 . 10 1 1 A 78 78 TYR CB C 78 37.737 37.931 -0.194 1 1 800 . 10 1 1 A 78 78 TYR N N 78 123.680 121.482 2.198 1 1 801 . 10 1 1 A 79 79 TYR H H 79 8.347 8.614 -0.267 1 1 802 . 10 1 1 A 79 79 TYR HA H 79 4.750 4.704 0.046 1 1 805 . 10 1 1 A 79 79 TYR C C 79 178.135 176.428 1.707 1 1 806 . 10 1 1 A 79 79 TYR CA C 79 57.389 59.377 -1.988 1 1 807 . 10 1 1 A 79 79 TYR CB C 79 36.796 37.748 -0.952 1 1 808 . 10 1 1 A 79 79 TYR N N 79 119.870 118.209 1.661 1 1 809 . 10 1 1 A 80 80 THR H H 80 8.180 7.853 0.327 1 1 810 . 10 1 1 A 80 80 THR HA H 80 4.208 4.303 -0.095 1 1 815 . 10 1 1 A 80 80 THR C C 80 175.302 174.993 0.309 1 1 816 . 10 1 1 A 80 80 THR CA C 80 64.276 65.472 -1.196 1 1 817 . 10 1 1 A 80 80 THR CB C 80 69.098 69.155 -0.057 1 1 819 . 10 1 1 A 80 80 THR N N 80 114.967 117.082 -2.115 1 1 820 . 10 1 1 A 81 81 SER H H 81 8.027 7.871 0.156 1 1 821 . 10 1 1 A 81 81 SER HA H 81 4.214 4.689 -0.475 1 1 824 . 10 1 1 A 81 81 SER C C 81 174.305 174.642 -0.337 1 1 825 . 10 1 1 A 81 81 SER CA C 81 60.578 57.731 2.847 1 1 826 . 10 1 1 A 81 81 SER CB C 81 63.385 65.829 -2.444 1 1 827 . 10 1 1 A 81 81 SER N N 81 116.664 115.722 0.942 1 1 828 . 10 1 1 A 82 82 TYR H H 82 8.396 7.948 0.448 1 1 829 . 10 1 1 A 82 82 TYR HA H 82 4.612 4.296 0.316 1 1 832 . 10 1 1 A 82 82 TYR C C 82 176.069 176.738 -0.669 1 1 833 . 10 1 1 A 82 82 TYR CA C 82 57.676 60.898 -3.222 1 1 834 . 10 1 1 A 82 82 TYR CB C 82 38.160 39.641 -1.481 1 1 835 . 10 1 1 A 82 82 TYR N N 82 119.325 122.395 -3.070 1 1 836 . 10 1 1 A 83 83 GLY H H 83 7.982 7.548 0.434 1 1 837 . 10 1 1 A 83 83 GLY HA2 H 83 4.021 3.263 0.758 1 1 838 . 10 1 1 A 83 83 GLY HA3 H 83 3.877 3.645 0.232 1 1 839 . 10 1 1 A 83 83 GLY C C 83 178.820 173.415 5.405 1 1 840 . 10 1 1 A 83 83 GLY CA C 83 46.170 46.149 0.021 1 1 841 . 10 1 1 A 83 83 GLY N N 83 111.287 106.498 4.789 1 1 842 . 10 1 1 A 84 84 ALA H H 84 8.505 7.747 0.758 1 1 843 . 10 1 1 A 84 84 ALA HA H 84 4.619 4.038 0.581 1 1 847 . 10 1 1 A 84 84 ALA C C 84 176.933 176.928 0.005 1 1 848 . 10 1 1 A 84 84 ALA CA C 84 51.514 50.247 1.267 1 1 849 . 10 1 1 A 84 84 ALA CB C 84 18.109 19.187 -1.078 1 1 850 . 10 1 1 A 84 84 ALA N N 84 126.408 125.336 1.072 1 1 851 . 10 1 1 A 85 85 ARG H H 85 8.057 7.748 0.309 1 1 852 . 10 1 1 A 85 85 ARG HA H 85 4.696 4.497 0.199 1 1 854 . 10 1 1 A 85 85 ARG CA C 85 53.887 57.197 -3.310 1 1 855 . 10 1 1 A 85 85 ARG CB C 85 30.500 32.982 -2.482 1 1 856 . 10 1 1 A 85 85 ARG N N 85 123.060 118.345 4.715 1 1 857 . 10 1 1 A 86 86 PRO HA H 86 4.426 4.664 -0.238 1 1 862 . 10 1 1 A 86 86 PRO CA C 86 62.541 62.269 0.272 1 1 863 . 10 1 1 A 86 86 PRO CB C 86 31.477 31.579 -0.102 1 1 864 . 10 1 1 A 87 87 ILE H H 87 8.449 8.606 -0.157 1 1 865 . 10 1 1 A 87 87 ILE HA H 87 3.821 4.541 -0.720 1 1 875 . 10 1 1 A 87 87 ILE CA C 87 58.300 59.051 -0.751 1 1 876 . 10 1 1 A 87 87 ILE CB C 87 37.630 38.819 -1.189 1 1 880 . 10 1 1 A 87 87 ILE N N 87 125.558 124.279 1.279 1 1 881 . 10 1 1 A 88 88 PRO HA H 88 4.425 4.631 -0.206 1 1 884 . 10 1 1 A 88 88 PRO C C 88 177.001 177.862 -0.861 1 1 885 . 10 1 1 A 88 88 PRO CA C 88 62.298 62.054 0.244 1 1 886 . 10 1 1 A 88 88 PRO CB C 88 32.070 32.695 -0.625 1 1 887 . 10 1 1 A 89 89 GLU H H 89 8.861 8.659 0.202 1 1 888 . 10 1 1 A 89 89 GLU HA H 89 3.871 4.004 -0.133 1 1 891 . 10 1 1 A 89 89 GLU C C 89 177.756 178.434 -0.678 1 1 892 . 10 1 1 A 89 89 GLU CA C 89 59.711 59.272 0.439 1 1 893 . 10 1 1 A 89 89 GLU CB C 89 29.119 28.894 0.225 1 1 894 . 10 1 1 A 89 89 GLU N N 89 125.518 122.430 3.088 1 1 895 . 10 1 1 A 90 90 LYS H H 90 8.827 7.879 0.948 1 1 896 . 10 1 1 A 90 90 LYS HA H 90 3.969 3.933 0.036 1 1 899 . 10 1 1 A 90 90 LYS C C 90 178.672 179.005 -0.333 1 1 900 . 10 1 1 A 90 90 LYS CA C 90 59.423 59.019 0.404 1 1 901 . 10 1 1 A 90 90 LYS CB C 90 31.820 32.075 -0.255 1 1 902 . 10 1 1 A 90 90 LYS N N 90 117.281 119.434 -2.153 1 1 903 . 10 1 1 A 91 91 LEU H H 91 6.857 7.700 -0.843 1 1 904 . 10 1 1 A 91 91 LEU HA H 91 4.212 3.751 0.461 1 1 911 . 10 1 1 A 91 91 LEU CA C 91 56.390 57.518 -1.128 1 1 912 . 10 1 1 A 91 91 LEU CB C 91 40.627 41.152 -0.525 1 1 915 . 10 1 1 A 91 91 LEU N N 91 120.818 119.652 1.166 1 1 916 . 10 1 1 A 92 92 LYS H H 92 8.156 8.139 0.017 1 1 917 . 10 1 1 A 92 92 LYS HA H 92 3.558 3.731 -0.173 1 1 925 . 10 1 1 A 92 92 LYS C C 92 177.480 178.363 -0.883 1 1 926 . 10 1 1 A 92 92 LYS CA C 92 60.613 59.677 0.936 1 1 927 . 10 1 1 A 92 92 LYS CB C 92 31.812 32.564 -0.752 1 1 931 . 10 1 1 A 92 92 LYS N N 92 120.663 118.008 2.655 1 1 932 . 10 1 1 A 93 93 LYS H H 93 8.156 9.029 -0.873 1 1 933 . 10 1 1 A 93 93 LYS HA H 93 4.032 3.877 0.155 1 1 936 . 10 1 1 A 93 93 LYS C C 93 178.757 178.783 -0.026 1 1 937 . 10 1 1 A 93 93 LYS CA C 93 58.546 59.723 -1.177 1 1 938 . 10 1 1 A 93 93 LYS CB C 93 31.726 32.519 -0.793 1 1 939 . 10 1 1 A 93 93 LYS N N 93 116.478 118.575 -2.097 1 1 940 . 10 1 1 A 94 94 ARG H H 94 7.287 7.858 -0.571 1 1 941 . 10 1 1 A 94 94 ARG HA H 94 4.032 3.930 0.102 1 1 948 . 10 1 1 A 94 94 ARG C C 94 177.872 178.770 -0.898 1 1 949 . 10 1 1 A 94 94 ARG CA C 94 58.639 59.238 -0.599 1 1 950 . 10 1 1 A 94 94 ARG CB C 94 29.490 29.965 -0.475 1 1 953 . 10 1 1 A 94 94 ARG N N 94 120.980 118.642 2.338 1 1 955 . 10 1 1 A 95 95 LEU H H 95 8.365 8.996 -0.631 1 1 956 . 10 1 1 A 95 95 LEU HA H 95 3.597 3.322 0.275 1 1 960 . 10 1 1 A 95 95 LEU C C 95 177.342 178.454 -1.112 1 1 961 . 10 1 1 A 95 95 LEU CA C 95 57.009 57.139 -0.130 1 1 962 . 10 1 1 A 95 95 LEU CB C 95 40.718 40.892 -0.174 1 1 964 . 10 1 1 A 95 95 LEU N N 95 119.611 119.969 -0.358 1 1 965 . 10 1 1 A 96 96 GLN H H 96 8.126 9.012 -0.886 1 1 966 . 10 1 1 A 96 96 GLN HA H 96 4.033 3.867 0.166 1 1 972 . 10 1 1 A 96 96 GLN C C 96 179.502 177.959 1.543 1 1 973 . 10 1 1 A 96 96 GLN CA C 96 58.743 59.132 -0.389 1 1 974 . 10 1 1 A 96 96 GLN CB C 96 27.315 27.969 -0.654 1 1 976 . 10 1 1 A 96 96 GLN N N 96 115.986 117.925 -1.939 1 1 978 . 10 1 1 A 97 97 LEU H H 97 7.574 9.096 -1.522 1 1 979 . 10 1 1 A 97 97 LEU HA H 97 4.176 4.432 -0.256 1 1 983 . 10 1 1 A 97 97 LEU CA C 97 57.816 57.728 0.088 1 1 984 . 10 1 1 A 97 97 LEU CB C 97 41.107 41.802 -0.695 1 1 985 . 10 1 1 A 97 97 LEU N N 97 121.721 121.128 0.593 1 1 986 . 10 1 1 A 98 98 GLU H H 98 8.180 9.079 -0.899 1 1 987 . 10 1 1 A 98 98 GLU HA H 98 3.970 4.019 -0.049 1 1 989 . 10 1 1 A 98 98 GLU C C 98 178.852 179.538 -0.686 1 1 990 . 10 1 1 A 98 98 GLU CA C 98 59.074 59.566 -0.492 1 1 991 . 10 1 1 A 98 98 GLU CB C 98 28.376 29.477 -1.101 1 1 992 . 10 1 1 A 98 98 GLU N N 98 122.418 119.051 3.367 1 1 993 . 10 1 1 A 99 99 PHE H H 99 8.995 9.749 -0.754 1 1 994 . 10 1 1 A 99 99 PHE HA H 99 4.560 4.331 0.229 1 1 997 . 10 1 1 A 99 99 PHE C C 99 178.050 178.651 -0.601 1 1 998 . 10 1 1 A 99 99 PHE CA C 99 57.595 60.120 -2.525 1 1 999 . 10 1 1 A 99 99 PHE CB C 99 36.788 38.207 -1.419 1 1 1000 . 10 1 1 A 99 99 PHE N N 99 118.943 119.577 -0.634 1 1 1001 . 10 1 1 A 100 100 THR H H 100 7.985 9.619 -1.634 1 1 1002 . 10 1 1 A 100 100 THR HA H 100 4.097 4.039 0.058 1 1 1007 . 10 1 1 A 100 100 THR CA C 100 66.567 66.165 0.402 1 1 1008 . 10 1 1 A 100 100 THR CB C 100 68.200 68.548 -0.348 1 1 1010 . 10 1 1 A 100 100 THR N N 100 117.633 113.705 3.928 1 1 1011 . 10 1 1 A 101 101 GLN H H 101 8.160 8.838 -0.678 1 1 1012 . 10 1 1 A 101 101 GLN HA H 101 4.017 4.064 -0.047 1 1 1018 . 10 1 1 A 101 101 GLN C C 101 179.034 177.707 1.327 1 1 1019 . 10 1 1 A 101 101 GLN CA C 101 58.649 57.881 0.768 1 1 1020 . 10 1 1 A 101 101 GLN CB C 101 27.541 28.906 -1.365 1 1 1022 . 10 1 1 A 101 101 GLN N N 101 122.138 121.492 0.646 1 1 1024 . 10 1 1 A 102 102 ALA H H 102 8.768 8.650 0.118 1 1 1025 . 10 1 1 A 102 102 ALA HA H 102 4.036 4.069 -0.033 1 1 1029 . 10 1 1 A 102 102 ALA C C 102 178.466 178.916 -0.450 1 1 1030 . 10 1 1 A 102 102 ALA CA C 102 55.525 55.297 0.228 1 1 1031 . 10 1 1 A 102 102 ALA CB C 102 18.046 18.878 -0.832 1 1 1032 . 10 1 1 A 102 102 ALA N N 102 124.541 122.209 2.332 1 1 1033 . 10 1 1 A 103 103 GLU H H 103 8.552 10.066 -1.514 1 1 1034 . 10 1 1 A 103 103 GLU HA H 103 3.680 4.021 -0.341 1 1 1039 . 10 1 1 A 103 103 GLU C C 103 178.447 178.481 -0.034 1 1 1040 . 10 1 1 A 103 103 GLU CA C 103 59.802 59.457 0.345 1 1 1041 . 10 1 1 A 103 103 GLU CB C 103 29.672 29.457 0.215 1 1 1043 . 10 1 1 A 103 103 GLU N N 103 120.048 118.718 1.330 1 1 1044 . 10 1 1 A 104 104 ARG H H 104 8.242 8.704 -0.462 1 1 1045 . 10 1 1 A 104 104 ARG HA H 104 4.214 4.076 0.138 1 1 1048 . 10 1 1 A 104 104 ARG C C 104 178.958 178.541 0.417 1 1 1049 . 10 1 1 A 104 104 ARG CA C 104 58.135 59.432 -1.297 1 1 1050 . 10 1 1 A 104 104 ARG CB C 104 29.742 30.061 -0.319 1 1 1051 . 10 1 1 A 104 104 ARG N N 104 119.448 119.958 -0.510 1 1 1052 . 10 1 1 A 105 105 SER H H 105 8.087 7.401 0.686 1 1 1053 . 10 1 1 A 105 105 SER HA H 105 4.290 4.281 0.009 1 1 1056 . 10 1 1 A 105 105 SER CA C 105 61.917 61.260 0.657 1 1 1057 . 10 1 1 A 105 105 SER N N 105 117.329 114.111 3.218 1 1 1058 . 10 1 1 A 106 106 ILE H H 106 8.403 7.865 0.538 1 1 1059 . 10 1 1 A 106 106 ILE HA H 106 4.113 3.616 0.497 1 1 1069 . 10 1 1 A 106 106 ILE CA C 106 61.487 65.276 -3.789 1 1 1070 . 10 1 1 A 106 106 ILE CB C 106 35.600 37.644 -2.044 1 1 1074 . 10 1 1 A 106 106 ILE N N 106 124.394 121.884 2.510 1 1 1075 . 10 1 1 A 107 107 GLU H H 107 8.187 8.060 0.127 1 1 1076 . 10 1 1 A 107 107 GLU HA H 107 4.126 4.146 -0.020 1 1 1079 . 10 1 1 A 107 107 GLU C C 107 177.494 176.962 0.532 1 1 1080 . 10 1 1 A 107 107 GLU CA C 107 58.849 59.024 -0.175 1 1 1081 . 10 1 1 A 107 107 GLU CB C 107 29.052 30.457 -1.405 1 1 1082 . 10 1 1 A 107 107 GLU N N 107 123.223 120.974 2.249 1 1 1083 . 10 1 1 A 108 108 ARG H H 108 7.651 7.472 0.179 1 1 1084 . 10 1 1 A 108 108 ARG HA H 108 4.431 4.541 -0.110 1 1 1090 . 10 1 1 A 108 108 ARG C C 108 175.927 176.170 -0.243 1 1 1091 . 10 1 1 A 108 108 ARG CA C 108 55.584 55.289 0.295 1 1 1092 . 10 1 1 A 108 108 ARG CB C 108 30.806 30.863 -0.057 1 1 1094 . 10 1 1 A 108 108 ARG N N 108 117.394 119.204 -1.810 1 1 1095 . 10 1 1 A 109 109 GLY H H 109 8.190 7.973 0.217 1 1 1096 . 10 1 1 A 109 109 GLY HA2 H 109 4.141 3.906 0.235 1 1 1097 . 10 1 1 A 109 109 GLY HA3 H 109 4.060 3.908 0.152 1 1 1098 . 10 1 1 A 109 109 GLY C C 109 174.031 173.303 0.728 1 1 1099 . 10 1 1 A 109 109 GLY CA C 109 45.823 46.531 -0.708 1 1 1100 . 10 1 1 A 109 109 GLY N N 109 110.712 112.251 -1.539 1 1 7 . 11 1 1 A 2 2 ASP H H 2 8.644 7.726 0.918 1 1 8 . 11 1 1 A 2 2 ASP HA H 2 4.373 4.644 -0.271 1 1 11 . 11 1 1 A 2 2 ASP C C 2 178.938 176.181 2.757 1 1 12 . 11 1 1 A 2 2 ASP CA C 2 53.794 54.220 -0.426 1 1 13 . 11 1 1 A 2 2 ASP CB C 2 41.025 41.475 -0.450 1 1 14 . 11 1 1 A 2 2 ASP N N 2 122.106 121.768 0.338 1 1 15 . 11 1 1 A 3 3 SER H H 3 8.508 8.715 -0.207 1 1 16 . 11 1 1 A 3 3 SER HA H 3 4.331 4.585 -0.254 1 1 19 . 11 1 1 A 3 3 SER C C 3 174.777 174.872 -0.095 1 1 20 . 11 1 1 A 3 3 SER CA C 3 58.141 59.793 -1.652 1 1 21 . 11 1 1 A 3 3 SER CB C 3 63.359 63.759 -0.400 1 1 22 . 11 1 1 A 3 3 SER N N 3 117.604 119.325 -1.721 1 1 23 . 11 1 1 A 4 4 GLY H H 4 8.603 8.642 -0.039 1 1 24 . 11 1 1 A 4 4 GLY HA2 H 4 4.130 4.192 -0.062 1 1 25 . 11 1 1 A 4 4 GLY HA3 H 4 4.076 4.193 -0.117 1 1 26 . 11 1 1 A 4 4 GLY C C 4 174.283 172.775 1.508 1 1 27 . 11 1 1 A 4 4 GLY CA C 4 45.054 44.451 0.603 1 1 28 . 11 1 1 A 4 4 GLY N N 4 111.842 110.986 0.856 1 1 29 . 11 1 1 A 5 5 THR H H 5 8.140 8.596 -0.456 1 1 30 . 11 1 1 A 5 5 THR HA H 5 4.371 4.764 -0.393 1 1 35 . 11 1 1 A 5 5 THR C C 5 174.827 172.849 1.978 1 1 36 . 11 1 1 A 5 5 THR CA C 5 61.515 61.083 0.432 1 1 37 . 11 1 1 A 5 5 THR CB C 5 69.683 71.763 -2.080 1 1 39 . 11 1 1 A 5 5 THR N N 5 112.188 113.724 -1.536 1 1 40 . 11 1 1 A 6 6 GLY H H 6 8.425 8.364 0.061 1 1 41 . 11 1 1 A 6 6 GLY HA2 H 6 4.109 4.344 -0.235 1 1 42 . 11 1 1 A 6 6 GLY HA3 H 6 3.875 4.408 -0.533 1 1 43 . 11 1 1 A 6 6 GLY C C 6 173.670 174.340 -0.670 1 1 44 . 11 1 1 A 6 6 GLY CA C 6 44.466 45.863 -1.397 1 1 45 . 11 1 1 A 6 6 GLY N N 6 110.955 110.315 0.640 1 1 46 . 11 1 1 A 7 7 LEU H H 7 7.993 7.610 0.383 1 1 47 . 11 1 1 A 7 7 LEU HA H 7 4.503 4.420 0.083 1 1 53 . 11 1 1 A 7 7 LEU C C 7 177.284 176.304 0.980 1 1 54 . 11 1 1 A 7 7 LEU CA C 7 54.741 54.653 0.088 1 1 55 . 11 1 1 A 7 7 LEU CB C 7 39.284 42.928 -3.644 1 1 58 . 11 1 1 A 7 7 LEU N N 7 121.268 121.387 -0.119 1 1 59 . 11 1 1 A 8 8 THR H H 8 10.385 8.277 2.108 1 1 60 . 11 1 1 A 8 8 THR HA H 8 4.521 3.680 0.841 1 1 65 . 11 1 1 A 8 8 THR C C 8 176.965 174.119 2.846 1 1 66 . 11 1 1 A 8 8 THR CA C 8 64.563 61.689 2.874 1 1 67 . 11 1 1 A 8 8 THR CB C 8 71.946 71.100 0.846 1 1 69 . 11 1 1 A 8 8 THR N N 8 113.472 114.078 -0.606 1 1 70 . 11 1 1 A 9 9 GLY H H 9 9.733 7.681 2.052 1 1 71 . 11 1 1 A 9 9 GLY HA2 H 9 4.391 4.137 0.254 1 1 72 . 11 1 1 A 9 9 GLY HA3 H 9 3.805 4.148 -0.343 1 1 73 . 11 1 1 A 9 9 GLY C C 9 173.133 175.271 -2.138 1 1 74 . 11 1 1 A 9 9 GLY CA C 9 45.453 47.070 -1.617 1 1 75 . 11 1 1 A 9 9 GLY N N 9 114.948 110.899 4.049 1 1 76 . 11 1 1 A 10 10 ASN H H 10 7.664 7.996 -0.332 1 1 77 . 11 1 1 A 10 10 ASN HA H 10 4.906 4.356 0.550 1 1 82 . 11 1 1 A 10 10 ASN C C 10 173.098 174.696 -1.598 1 1 83 . 11 1 1 A 10 10 ASN CA C 10 51.504 56.280 -4.776 1 1 84 . 11 1 1 A 10 10 ASN CB C 10 38.449 39.334 -0.885 1 1 85 . 11 1 1 A 10 10 ASN N N 10 120.991 119.919 1.072 1 1 87 . 11 1 1 A 11 11 TYR H H 11 8.892 7.537 1.355 1 1 88 . 11 1 1 A 11 11 TYR HA H 11 3.767 4.679 -0.912 1 1 91 . 11 1 1 A 11 11 TYR C C 11 177.871 174.894 2.977 1 1 92 . 11 1 1 A 11 11 TYR CA C 11 61.897 57.085 4.812 1 1 93 . 11 1 1 A 11 11 TYR CB C 11 38.099 39.653 -1.554 1 1 94 . 11 1 1 A 11 11 TYR N N 11 128.653 118.045 10.608 1 1 95 . 11 1 1 A 12 12 SER H H 12 8.729 8.825 -0.096 1 1 96 . 11 1 1 A 12 12 SER HA H 12 3.747 4.040 -0.293 1 1 99 . 11 1 1 A 12 12 SER C C 12 174.675 176.722 -2.047 1 1 100 . 11 1 1 A 12 12 SER CA C 12 62.371 62.062 0.309 1 1 101 . 11 1 1 A 12 12 SER CB C 12 61.600 63.007 -1.407 1 1 102 . 11 1 1 A 12 12 SER N N 12 119.446 119.321 0.125 1 1 103 . 11 1 1 A 13 13 GLN H H 13 7.645 7.786 -0.141 1 1 104 . 11 1 1 A 13 13 GLN HA H 13 3.955 4.031 -0.076 1 1 110 . 11 1 1 A 13 13 GLN C C 13 178.400 177.893 0.507 1 1 111 . 11 1 1 A 13 13 GLN CA C 13 58.083 58.765 -0.682 1 1 112 . 11 1 1 A 13 13 GLN CB C 13 28.328 28.312 0.016 1 1 114 . 11 1 1 A 13 13 GLN N N 13 121.234 121.585 -0.351 1 1 116 . 11 1 1 A 14 14 ASP H H 14 9.314 7.981 1.333 1 1 117 . 11 1 1 A 14 14 ASP HA H 14 4.513 4.308 0.205 1 1 120 . 11 1 1 A 14 14 ASP C C 14 177.320 178.777 -1.457 1 1 121 . 11 1 1 A 14 14 ASP CA C 14 56.778 56.664 0.114 1 1 122 . 11 1 1 A 14 14 ASP CB C 14 40.380 40.550 -0.170 1 1 123 . 11 1 1 A 14 14 ASP N N 14 120.095 119.802 0.293 1 1 124 . 11 1 1 A 15 15 THR H H 15 8.283 8.498 -0.215 1 1 125 . 11 1 1 A 15 15 THR HA H 15 3.637 3.628 0.009 1 1 130 . 11 1 1 A 15 15 THR C C 15 174.455 176.768 -2.313 1 1 131 . 11 1 1 A 15 15 THR CA C 15 67.657 66.981 0.676 1 1 132 . 11 1 1 A 15 15 THR CB C 15 67.465 68.127 -0.662 1 1 134 . 11 1 1 A 15 15 THR N N 15 117.657 115.836 1.821 1 1 135 . 11 1 1 A 16 16 LEU H H 16 7.452 8.143 -0.691 1 1 136 . 11 1 1 A 16 16 LEU HA H 16 3.919 3.937 -0.018 1 1 140 . 11 1 1 A 16 16 LEU C C 16 179.666 179.082 0.584 1 1 141 . 11 1 1 A 16 16 LEU CA C 16 57.864 57.877 -0.013 1 1 142 . 11 1 1 A 16 16 LEU CB C 16 39.811 41.026 -1.215 1 1 144 . 11 1 1 A 16 16 LEU N N 16 120.034 117.854 2.180 1 1 145 . 11 1 1 A 17 17 THR H H 17 8.708 7.835 0.873 1 1 146 . 11 1 1 A 17 17 THR HA H 17 3.893 3.965 -0.072 1 1 151 . 11 1 1 A 17 17 THR C C 17 179.666 176.577 3.089 1 1 152 . 11 1 1 A 17 17 THR CA C 17 66.152 66.782 -0.630 1 1 153 . 11 1 1 A 17 17 THR CB C 17 67.921 68.572 -0.651 1 1 155 . 11 1 1 A 17 17 THR N N 17 121.382 115.117 6.265 1 1 156 . 11 1 1 A 18 18 VAL H H 18 8.194 7.847 0.347 1 1 157 . 11 1 1 A 18 18 VAL HA H 18 3.705 3.561 0.144 1 1 165 . 11 1 1 A 18 18 VAL C C 18 177.242 177.810 -0.568 1 1 166 . 11 1 1 A 18 18 VAL CA C 18 65.886 66.783 -0.897 1 1 167 . 11 1 1 A 18 18 VAL CB C 18 30.729 31.502 -0.773 1 1 170 . 11 1 1 A 18 18 VAL N N 18 123.227 121.534 1.693 1 1 171 . 11 1 1 A 19 19 ILE H H 19 7.933 8.082 -0.149 1 1 172 . 11 1 1 A 19 19 ILE HA H 19 2.633 3.676 -1.043 1 1 182 . 11 1 1 A 19 19 ILE C C 19 176.276 178.468 -2.192 1 1 183 . 11 1 1 A 19 19 ILE CA C 19 66.137 64.029 2.108 1 1 184 . 11 1 1 A 19 19 ILE CB C 19 37.782 37.090 0.692 1 1 188 . 11 1 1 A 19 19 ILE N N 19 119.786 119.260 0.526 1 1 189 . 11 1 1 A 20 20 ALA H H 20 7.782 7.923 -0.141 1 1 190 . 11 1 1 A 20 20 ALA HA H 20 3.972 4.027 -0.055 1 1 194 . 11 1 1 A 20 20 ALA C C 20 180.867 179.594 1.273 1 1 195 . 11 1 1 A 20 20 ALA CA C 20 55.170 55.136 0.034 1 1 196 . 11 1 1 A 20 20 ALA CB C 20 17.282 18.127 -0.845 1 1 197 . 11 1 1 A 20 20 ALA N N 20 121.793 123.994 -2.201 1 1 198 . 11 1 1 A 21 21 THR H H 21 8.573 7.682 0.891 1 1 199 . 11 1 1 A 21 21 THR HA H 21 3.902 3.799 0.103 1 1 204 . 11 1 1 A 21 21 THR C C 21 176.720 176.432 0.288 1 1 205 . 11 1 1 A 21 21 THR CA C 21 65.200 67.058 -1.858 1 1 206 . 11 1 1 A 21 21 THR CB C 21 68.092 68.160 -0.068 1 1 208 . 11 1 1 A 21 21 THR N N 21 118.393 115.074 3.319 1 1 209 . 11 1 1 A 22 22 LEU H H 22 8.583 8.130 0.453 1 1 210 . 11 1 1 A 22 22 LEU HA H 22 4.065 3.841 0.224 1 1 217 . 11 1 1 A 22 22 LEU C C 22 178.284 178.762 -0.478 1 1 218 . 11 1 1 A 22 22 LEU CA C 22 57.005 58.225 -1.220 1 1 219 . 11 1 1 A 22 22 LEU CB C 22 40.209 41.631 -1.422 1 1 223 . 11 1 1 A 22 22 LEU N N 22 122.517 121.006 1.511 1 1 224 . 11 1 1 A 23 23 ARG H H 23 8.858 8.546 0.312 1 1 225 . 11 1 1 A 23 23 ARG HA H 23 3.873 3.683 0.190 1 1 230 . 11 1 1 A 23 23 ARG C C 23 178.503 178.565 -0.062 1 1 231 . 11 1 1 A 23 23 ARG CA C 23 60.362 59.880 0.482 1 1 232 . 11 1 1 A 23 23 ARG CB C 23 29.808 29.862 -0.054 1 1 235 . 11 1 1 A 23 23 ARG N N 23 120.502 117.452 3.050 1 1 237 . 11 1 1 A 24 24 GLU H H 24 7.250 8.004 -0.754 1 1 238 . 11 1 1 A 24 24 GLU HA H 24 4.109 3.882 0.227 1 1 243 . 11 1 1 A 24 24 GLU CA C 24 58.312 59.135 -0.823 1 1 244 . 11 1 1 A 24 24 GLU CB C 24 29.024 29.282 -0.258 1 1 246 . 11 1 1 A 24 24 GLU N N 24 117.221 119.973 -2.752 1 1 247 . 11 1 1 A 25 25 ALA H H 25 8.223 7.863 0.360 1 1 248 . 11 1 1 A 25 25 ALA HA H 25 3.983 3.991 -0.008 1 1 252 . 11 1 1 A 25 25 ALA C C 25 180.617 179.331 1.286 1 1 253 . 11 1 1 A 25 25 ALA CA C 25 55.203 54.962 0.241 1 1 254 . 11 1 1 A 25 25 ALA CB C 25 17.657 18.295 -0.638 1 1 255 . 11 1 1 A 25 25 ALA N N 25 121.823 122.024 -0.201 1 1 256 . 11 1 1 A 26 26 ILE H H 26 8.552 7.289 1.263 1 1 257 . 11 1 1 A 26 26 ILE HA H 26 4.144 3.745 0.399 1 1 267 . 11 1 1 A 26 26 ILE C C 26 175.586 175.502 0.084 1 1 268 . 11 1 1 A 26 26 ILE CA C 26 63.790 62.586 1.204 1 1 269 . 11 1 1 A 26 26 ILE CB C 26 37.496 38.472 -0.976 1 1 273 . 11 1 1 A 26 26 ILE N N 26 112.838 118.019 -5.181 1 1 274 . 11 1 1 A 27 27 ASP H H 27 7.175 7.509 -0.334 1 1 275 . 11 1 1 A 27 27 ASP HA H 27 4.934 4.747 0.187 1 1 278 . 11 1 1 A 27 27 ASP C C 27 175.602 174.416 1.186 1 1 279 . 11 1 1 A 27 27 ASP CA C 27 53.160 53.301 -0.141 1 1 280 . 11 1 1 A 27 27 ASP CB C 27 41.754 40.937 0.817 1 1 281 . 11 1 1 A 27 27 ASP N N 27 120.840 121.686 -0.846 1 1 282 . 11 1 1 A 28 28 LEU H H 28 7.136 7.427 -0.291 1 1 283 . 11 1 1 A 28 28 LEU HA H 28 4.510 4.445 0.065 1 1 290 . 11 1 1 A 28 28 LEU CA C 28 53.379 53.214 0.165 1 1 291 . 11 1 1 A 28 28 LEU CB C 28 42.286 41.725 0.561 1 1 294 . 11 1 1 A 28 28 LEU N N 28 124.155 119.424 4.731 1 1 295 . 11 1 1 A 29 29 PRO HA H 29 4.552 4.504 0.048 1 1 301 . 11 1 1 A 29 29 PRO C C 29 177.414 177.282 0.132 1 1 302 . 11 1 1 A 29 29 PRO CA C 29 62.506 62.866 -0.360 1 1 303 . 11 1 1 A 29 29 PRO CB C 29 32.263 32.638 -0.375 1 1 305 . 11 1 1 A 30 30 GLN H H 30 8.935 8.560 0.375 1 1 306 . 11 1 1 A 30 30 GLN HA H 30 3.966 4.089 -0.123 1 1 311 . 11 1 1 A 30 30 GLN C C 30 175.595 176.696 -1.101 1 1 312 . 11 1 1 A 30 30 GLN CA C 30 58.036 58.148 -0.112 1 1 313 . 11 1 1 A 30 30 GLN CB C 30 28.116 28.479 -0.363 1 1 315 . 11 1 1 A 30 30 GLN N N 30 122.119 121.673 0.446 1 1 317 . 11 1 1 A 31 31 ASP H H 31 8.353 7.966 0.387 1 1 318 . 11 1 1 A 31 31 ASP HA H 31 4.682 4.678 0.004 1 1 321 . 11 1 1 A 31 31 ASP C C 31 175.518 175.681 -0.163 1 1 322 . 11 1 1 A 31 31 ASP CA C 31 52.178 54.492 -2.314 1 1 323 . 11 1 1 A 31 31 ASP CB C 31 39.270 41.591 -2.321 1 1 324 . 11 1 1 A 31 31 ASP N N 31 115.909 118.359 -2.450 1 1 325 . 11 1 1 A 32 32 ALA H H 32 7.467 7.547 -0.080 1 1 326 . 11 1 1 A 32 32 ALA HA H 32 4.564 4.758 -0.194 1 1 330 . 11 1 1 A 32 32 ALA CA C 32 50.496 50.010 0.486 1 1 331 . 11 1 1 A 32 32 ALA CB C 32 17.852 18.858 -1.006 1 1 332 . 11 1 1 A 32 32 ALA N N 32 124.893 122.247 2.646 1 1 333 . 11 1 1 A 33 33 PRO HA H 33 4.494 4.479 0.015 1 1 339 . 11 1 1 A 33 33 PRO C C 33 176.278 176.070 0.208 1 1 340 . 11 1 1 A 33 33 PRO CA C 33 63.894 63.686 0.208 1 1 341 . 11 1 1 A 33 33 PRO CB C 33 31.354 31.318 0.036 1 1 344 . 11 1 1 A 34 34 ASN H H 34 8.577 8.661 -0.084 1 1 345 . 11 1 1 A 34 34 ASN HA H 34 5.041 5.175 -0.134 1 1 350 . 11 1 1 A 34 34 ASN C C 34 174.678 175.577 -0.899 1 1 351 . 11 1 1 A 34 34 ASN CA C 34 51.792 52.762 -0.970 1 1 352 . 11 1 1 A 34 34 ASN CB C 34 36.334 38.910 -2.576 1 1 353 . 11 1 1 A 34 34 ASN N N 34 115.598 117.229 -1.631 1 1 355 . 11 1 1 A 35 35 ARG H H 35 7.401 8.314 -0.913 1 1 356 . 11 1 1 A 35 35 ARG HA H 35 3.726 4.003 -0.277 1 1 363 . 11 1 1 A 35 35 ARG C C 35 176.887 178.088 -1.201 1 1 364 . 11 1 1 A 35 35 ARG CA C 35 60.063 59.047 1.016 1 1 365 . 11 1 1 A 35 35 ARG CB C 35 29.571 29.900 -0.329 1 1 368 . 11 1 1 A 35 35 ARG N N 35 119.690 119.961 -0.271 1 1 370 . 11 1 1 A 36 36 GLN H H 36 8.780 8.005 0.775 1 1 371 . 11 1 1 A 36 36 GLN HA H 36 3.805 4.317 -0.512 1 1 377 . 11 1 1 A 36 36 GLN CA C 36 58.618 58.795 -0.177 1 1 378 . 11 1 1 A 36 36 GLN CB C 36 27.595 28.569 -0.974 1 1 380 . 11 1 1 A 36 36 GLN N N 36 119.100 119.037 0.063 1 1 382 . 11 1 1 A 37 37 GLU H H 37 8.128 8.000 0.128 1 1 383 . 11 1 1 A 37 37 GLU HA H 37 4.137 4.087 0.050 1 1 387 . 11 1 1 A 37 37 GLU C C 37 179.222 178.882 0.340 1 1 388 . 11 1 1 A 37 37 GLU CA C 37 59.336 59.067 0.269 1 1 389 . 11 1 1 A 37 37 GLU CB C 37 28.781 29.361 -0.580 1 1 391 . 11 1 1 A 37 37 GLU N N 37 120.485 120.904 -0.419 1 1 392 . 11 1 1 A 38 38 VAL H H 38 8.127 8.885 -0.758 1 1 393 . 11 1 1 A 38 38 VAL HA H 38 3.708 3.597 0.111 1 1 401 . 11 1 1 A 38 38 VAL C C 38 178.246 177.842 0.404 1 1 402 . 11 1 1 A 38 38 VAL CA C 38 66.019 66.761 -0.742 1 1 403 . 11 1 1 A 38 38 VAL CB C 38 31.008 31.391 -0.383 1 1 406 . 11 1 1 A 38 38 VAL N N 38 121.937 119.914 2.023 1 1 407 . 11 1 1 A 39 39 GLN H H 39 8.324 7.870 0.454 1 1 408 . 11 1 1 A 39 39 GLN HA H 39 3.764 3.903 -0.139 1 1 415 . 11 1 1 A 39 39 GLN C C 39 177.642 177.863 -0.221 1 1 416 . 11 1 1 A 39 39 GLN CA C 39 59.019 59.178 -0.159 1 1 417 . 11 1 1 A 39 39 GLN CB C 39 27.176 28.115 -0.939 1 1 419 . 11 1 1 A 39 39 GLN N N 39 120.203 120.362 -0.159 1 1 421 . 11 1 1 A 40 40 ASP H H 40 8.699 8.228 0.471 1 1 422 . 11 1 1 A 40 40 ASP HA H 40 4.391 4.279 0.112 1 1 425 . 11 1 1 A 40 40 ASP C C 40 179.726 178.660 1.066 1 1 426 . 11 1 1 A 40 40 ASP CA C 40 57.267 57.774 -0.507 1 1 427 . 11 1 1 A 40 40 ASP CB C 40 39.458 41.702 -2.244 1 1 428 . 11 1 1 A 40 40 ASP N N 40 121.604 119.965 1.639 1 1 429 . 11 1 1 A 41 41 THR H H 41 8.449 8.033 0.416 1 1 430 . 11 1 1 A 41 41 THR HA H 41 3.981 3.956 0.025 1 1 435 . 11 1 1 A 41 41 THR CA C 41 66.254 66.053 0.201 1 1 436 . 11 1 1 A 41 41 THR CB C 41 67.937 68.340 -0.403 1 1 437 . 11 1 1 A 41 41 THR N N 41 121.386 115.521 5.865 1 1 438 . 11 1 1 A 42 42 ALA H H 42 8.552 8.130 0.422 1 1 439 . 11 1 1 A 42 42 ALA HA H 42 3.876 3.897 -0.021 1 1 443 . 11 1 1 A 42 42 ALA C C 42 178.300 179.732 -1.432 1 1 444 . 11 1 1 A 42 42 ALA CA C 42 55.244 55.328 -0.084 1 1 445 . 11 1 1 A 42 42 ALA CB C 42 17.295 18.186 -0.891 1 1 446 . 11 1 1 A 42 42 ALA N N 42 126.245 123.273 2.972 1 1 447 . 11 1 1 A 43 43 ARG H H 43 8.553 8.015 0.538 1 1 448 . 11 1 1 A 43 43 ARG HA H 43 3.923 4.010 -0.087 1 1 451 . 11 1 1 A 43 43 ARG C C 43 178.522 178.825 -0.303 1 1 452 . 11 1 1 A 43 43 ARG CA C 43 59.680 59.543 0.137 1 1 453 . 11 1 1 A 43 43 ARG CB C 43 29.887 29.724 0.163 1 1 454 . 11 1 1 A 43 43 ARG N N 43 117.705 119.217 -1.512 1 1 455 . 11 1 1 A 44 44 GLY H H 44 8.049 8.127 -0.078 1 1 456 . 11 1 1 A 44 44 GLY HA2 H 44 4.066 3.812 0.254 1 1 457 . 11 1 1 A 44 44 GLY HA3 H 44 3.972 3.813 0.159 1 1 458 . 11 1 1 A 44 44 GLY CA C 44 46.710 47.416 -0.706 1 1 459 . 11 1 1 A 44 44 GLY N N 44 106.443 106.874 -0.431 1 1 460 . 11 1 1 A 45 45 GLN H H 45 8.305 7.692 0.613 1 1 461 . 11 1 1 A 45 45 GLN HA H 45 4.204 4.061 0.143 1 1 466 . 11 1 1 A 45 45 GLN C C 45 177.942 178.958 -1.016 1 1 467 . 11 1 1 A 45 45 GLN CA C 45 59.930 58.476 1.454 1 1 468 . 11 1 1 A 45 45 GLN CB C 45 28.520 28.496 0.024 1 1 470 . 11 1 1 A 45 45 GLN N N 45 123.780 120.834 2.946 1 1 472 . 11 1 1 A 46 46 ILE H H 46 8.673 8.044 0.629 1 1 473 . 11 1 1 A 46 46 ILE HA H 46 3.594 3.583 0.011 1 1 483 . 11 1 1 A 46 46 ILE C C 46 176.649 178.044 -1.395 1 1 484 . 11 1 1 A 46 46 ILE CA C 46 66.299 65.805 0.494 1 1 485 . 11 1 1 A 46 46 ILE CB C 46 37.762 38.309 -0.547 1 1 489 . 11 1 1 A 46 46 ILE N N 46 120.050 121.285 -1.235 1 1 490 . 11 1 1 A 47 47 ASN H H 47 7.866 8.302 -0.436 1 1 491 . 11 1 1 A 47 47 ASN HA H 47 4.525 4.508 0.017 1 1 495 . 11 1 1 A 47 47 ASN C C 47 176.649 178.299 -1.650 1 1 496 . 11 1 1 A 47 47 ASN CA C 47 55.703 56.515 -0.812 1 1 497 . 11 1 1 A 47 47 ASN CB C 47 37.925 37.967 -0.042 1 1 498 . 11 1 1 A 47 47 ASN N N 47 116.444 117.554 -1.110 1 1 500 . 11 1 1 A 48 48 ASP H H 48 8.185 7.741 0.444 1 1 501 . 11 1 1 A 48 48 ASP HA H 48 4.460 4.526 -0.066 1 1 504 . 11 1 1 A 48 48 ASP C C 48 176.285 178.237 -1.952 1 1 505 . 11 1 1 A 48 48 ASP CA C 48 56.635 57.355 -0.720 1 1 506 . 11 1 1 A 48 48 ASP CB C 48 41.593 41.379 0.214 1 1 507 . 11 1 1 A 48 48 ASP N N 48 121.725 119.871 1.854 1 1 508 . 11 1 1 A 49 49 TYR H H 49 8.756 8.526 0.230 1 1 509 . 11 1 1 A 49 49 TYR HA H 49 3.892 4.338 -0.446 1 1 512 . 11 1 1 A 49 49 TYR C C 49 176.432 177.101 -0.669 1 1 513 . 11 1 1 A 49 49 TYR CA C 49 62.617 61.657 0.960 1 1 514 . 11 1 1 A 49 49 TYR CB C 49 39.188 38.728 0.460 1 1 515 . 11 1 1 A 49 49 TYR N N 49 121.005 121.554 -0.549 1 1 516 . 11 1 1 A 50 50 ILE H H 50 8.481 8.558 -0.077 1 1 517 . 11 1 1 A 50 50 ILE HA H 50 3.901 3.737 0.164 1 1 527 . 11 1 1 A 50 50 ILE C C 50 177.407 176.978 0.429 1 1 528 . 11 1 1 A 50 50 ILE CA C 50 63.893 63.946 -0.053 1 1 529 . 11 1 1 A 50 50 ILE CB C 50 36.668 38.532 -1.864 1 1 533 . 11 1 1 A 50 50 ILE N N 50 117.237 120.328 -3.091 1 1 534 . 11 1 1 A 51 51 SER H H 51 7.870 7.923 -0.053 1 1 535 . 11 1 1 A 51 51 SER HA H 51 4.203 4.688 -0.485 1 1 538 . 11 1 1 A 51 51 SER C C 51 177.413 174.012 3.401 1 1 539 . 11 1 1 A 51 51 SER CA C 51 61.003 57.475 3.528 1 1 540 . 11 1 1 A 51 51 SER CB C 51 62.711 64.264 -1.553 1 1 541 . 11 1 1 A 51 51 SER N N 51 113.635 115.341 -1.706 1 1 542 . 11 1 1 A 52 52 ARG H H 52 8.386 7.846 0.540 1 1 543 . 11 1 1 A 52 52 ARG HA H 52 3.816 4.541 -0.725 1 1 551 . 11 1 1 A 52 52 ARG C C 52 178.788 174.940 3.848 1 1 552 . 11 1 1 A 52 52 ARG CA C 52 58.343 57.015 1.328 1 1 553 . 11 1 1 A 52 52 ARG CB C 52 30.053 32.698 -2.645 1 1 556 . 11 1 1 A 52 52 ARG N N 52 120.787 121.792 -1.005 1 1 558 . 11 1 1 A 53 53 TYR H H 53 7.428 8.111 -0.683 1 1 559 . 11 1 1 A 53 53 TYR HA H 53 4.667 4.907 -0.240 1 1 562 . 11 1 1 A 53 53 TYR C C 53 174.743 174.686 0.057 1 1 563 . 11 1 1 A 53 53 TYR CA C 53 57.922 56.543 1.379 1 1 564 . 11 1 1 A 53 53 TYR CB C 53 38.030 38.399 -0.369 1 1 565 . 11 1 1 A 53 53 TYR N N 53 115.269 116.931 -1.662 1 1 566 . 11 1 1 A 54 54 ARG H H 54 7.775 8.662 -0.887 1 1 567 . 11 1 1 A 54 54 ARG HA H 54 4.249 4.066 0.183 1 1 570 . 11 1 1 A 54 54 ARG C C 54 177.121 175.955 1.166 1 1 571 . 11 1 1 A 54 54 ARG CA C 54 58.720 56.970 1.750 1 1 572 . 11 1 1 A 54 54 ARG CB C 54 29.345 32.186 -2.841 1 1 573 . 11 1 1 A 54 54 ARG N N 54 120.518 126.445 -5.927 1 1 574 . 11 1 1 A 55 55 ARG H H 55 8.319 7.735 0.584 1 1 575 . 11 1 1 A 55 55 ARG HA H 55 4.249 4.038 0.211 1 1 577 . 11 1 1 A 55 55 ARG C C 55 177.395 176.006 1.389 1 1 578 . 11 1 1 A 55 55 ARG CA C 55 56.766 56.951 -0.185 1 1 579 . 11 1 1 A 55 55 ARG CB C 55 29.231 31.059 -1.828 1 1 580 . 11 1 1 A 55 55 ARG N N 55 119.094 120.068 -0.974 1 1 581 . 11 1 1 A 56 56 LYS H H 56 8.062 8.769 -0.707 1 1 582 . 11 1 1 A 56 56 LYS HA H 56 4.069 4.528 -0.459 1 1 588 . 11 1 1 A 56 56 LYS C C 56 177.177 176.715 0.462 1 1 589 . 11 1 1 A 56 56 LYS CA C 56 56.740 55.895 0.845 1 1 590 . 11 1 1 A 56 56 LYS CB C 56 31.291 34.486 -3.195 1 1 594 . 11 1 1 A 56 56 LYS N N 56 121.271 123.002 -1.731 1 1 595 . 11 1 1 A 57 57 GLY H H 57 8.138 7.900 0.238 1 1 596 . 11 1 1 A 57 57 GLY HA2 H 57 4.055 4.050 0.005 1 1 597 . 11 1 1 A 57 57 GLY HA3 H 57 3.766 4.063 -0.297 1 1 598 . 11 1 1 A 57 57 GLY C C 57 174.196 174.216 -0.020 1 1 599 . 11 1 1 A 57 57 GLY CA C 57 45.336 44.931 0.405 1 1 600 . 11 1 1 A 57 57 GLY N N 57 108.747 109.418 -0.671 1 1 601 . 11 1 1 A 58 58 ASP H H 58 7.937 8.329 -0.392 1 1 602 . 11 1 1 A 58 58 ASP HA H 58 4.571 4.403 0.168 1 1 604 . 11 1 1 A 58 58 ASP CA C 58 54.548 54.780 -0.232 1 1 605 . 11 1 1 A 58 58 ASP CB C 58 40.254 39.274 0.980 1 1 606 . 11 1 1 A 58 58 ASP N N 58 121.456 120.147 1.309 1 1 607 . 11 1 1 A 59 59 ALA H H 59 8.150 7.845 0.305 1 1 608 . 11 1 1 A 59 59 ALA HA H 59 4.178 3.986 0.192 1 1 612 . 11 1 1 A 59 59 ALA C C 59 177.927 178.733 -0.806 1 1 613 . 11 1 1 A 59 59 ALA CA C 59 52.751 55.428 -2.677 1 1 614 . 11 1 1 A 59 59 ALA CB C 59 18.062 19.030 -0.968 1 1 615 . 11 1 1 A 59 59 ALA N N 59 123.316 128.719 -5.403 1 1 616 . 11 1 1 A 60 60 GLY H H 60 8.190 7.966 0.224 1 1 617 . 11 1 1 A 60 60 GLY HA2 H 60 3.954 4.188 -0.234 1 1 618 . 11 1 1 A 60 60 GLY HA3 H 60 3.962 4.194 -0.232 1 1 619 . 11 1 1 A 60 60 GLY C C 60 174.572 174.261 0.311 1 1 620 . 11 1 1 A 60 60 GLY CA C 60 45.301 45.678 -0.377 1 1 621 . 11 1 1 A 60 60 GLY N N 60 107.588 104.998 2.590 1 1 622 . 11 1 1 A 61 61 GLY H H 61 8.014 7.897 0.117 1 1 623 . 11 1 1 A 61 61 GLY HA2 H 61 4.068 3.956 0.112 1 1 624 . 11 1 1 A 61 61 GLY HA3 H 61 3.882 3.959 -0.077 1 1 625 . 11 1 1 A 61 61 GLY C C 61 173.560 174.646 -1.086 1 1 626 . 11 1 1 A 61 61 GLY CA C 61 44.784 46.859 -2.075 1 1 627 . 11 1 1 A 61 61 GLY N N 61 108.839 107.283 1.556 1 1 628 . 11 1 1 A 62 62 LEU H H 62 8.038 8.191 -0.153 1 1 629 . 11 1 1 A 62 62 LEU HA H 62 4.528 4.321 0.207 1 1 636 . 11 1 1 A 62 62 LEU C C 62 177.058 176.801 0.257 1 1 637 . 11 1 1 A 62 62 LEU CA C 62 54.038 56.183 -2.145 1 1 638 . 11 1 1 A 62 62 LEU CB C 62 42.254 42.991 -0.737 1 1 641 . 11 1 1 A 62 62 LEU N N 62 122.191 120.584 1.607 1 1 642 . 11 1 1 A 63 63 LYS H H 63 9.378 8.718 0.660 1 1 643 . 11 1 1 A 63 63 LYS HA H 63 4.223 4.429 -0.206 1 1 647 . 11 1 1 A 63 63 LYS C C 63 179.928 178.733 1.195 1 1 648 . 11 1 1 A 63 63 LYS CA C 63 58.665 57.286 1.379 1 1 649 . 11 1 1 A 63 63 LYS CB C 63 31.663 32.697 -1.034 1 1 651 . 11 1 1 A 63 63 LYS N N 63 129.582 127.296 2.286 1 1 652 . 11 1 1 A 64 64 SER H H 64 10.250 8.220 2.030 1 1 653 . 11 1 1 A 64 64 SER HA H 64 4.169 4.099 0.070 1 1 656 . 11 1 1 A 64 64 SER C C 64 175.569 176.113 -0.544 1 1 657 . 11 1 1 A 64 64 SER CA C 64 61.010 61.947 -0.937 1 1 658 . 11 1 1 A 64 64 SER N N 64 117.647 116.291 1.356 1 1 659 . 11 1 1 A 65 65 PHE H H 65 7.035 8.256 -1.221 1 1 660 . 11 1 1 A 65 65 PHE HA H 65 4.444 4.218 0.226 1 1 663 . 11 1 1 A 65 65 PHE C C 65 176.884 177.517 -0.633 1 1 664 . 11 1 1 A 65 65 PHE CA C 65 61.911 61.730 0.181 1 1 665 . 11 1 1 A 65 65 PHE CB C 65 38.861 39.137 -0.276 1 1 666 . 11 1 1 A 65 65 PHE N N 65 123.056 123.196 -0.140 1 1 667 . 11 1 1 A 66 66 THR H H 66 8.475 8.240 0.235 1 1 668 . 11 1 1 A 66 66 THR HA H 66 3.932 3.261 0.671 1 1 673 . 11 1 1 A 66 66 THR C C 66 176.884 176.658 0.226 1 1 674 . 11 1 1 A 66 66 THR CA C 66 66.236 66.319 -0.083 1 1 675 . 11 1 1 A 66 66 THR CB C 66 67.993 68.616 -0.623 1 1 677 . 11 1 1 A 66 66 THR N N 66 115.996 114.616 1.380 1 1 678 . 11 1 1 A 67 67 THR H H 67 8.100 7.636 0.464 1 1 679 . 11 1 1 A 67 67 THR HA H 67 3.979 3.903 0.076 1 1 684 . 11 1 1 A 67 67 THR CA C 67 66.516 66.051 0.465 1 1 685 . 11 1 1 A 67 67 THR CB C 67 68.188 67.992 0.196 1 1 687 . 11 1 1 A 67 67 THR N N 67 120.365 114.048 6.317 1 1 688 . 11 1 1 A 68 68 MET H H 68 8.134 8.642 -0.508 1 1 689 . 11 1 1 A 68 68 MET HA H 68 4.429 3.998 0.431 1 1 697 . 11 1 1 A 68 68 MET C C 68 177.682 178.245 -0.563 1 1 698 . 11 1 1 A 68 68 MET CA C 68 56.239 59.045 -2.806 1 1 699 . 11 1 1 A 68 68 MET CB C 68 30.516 32.399 -1.883 1 1 702 . 11 1 1 A 68 68 MET N N 68 120.545 120.288 0.257 1 1 703 . 11 1 1 A 69 69 GLN H H 69 9.139 7.499 1.640 1 1 704 . 11 1 1 A 69 69 GLN HA H 69 3.694 4.022 -0.328 1 1 711 . 11 1 1 A 69 69 GLN C C 69 177.433 178.704 -1.271 1 1 712 . 11 1 1 A 69 69 GLN CA C 69 59.779 58.846 0.933 1 1 713 . 11 1 1 A 69 69 GLN CB C 69 28.547 28.172 0.375 1 1 715 . 11 1 1 A 69 69 GLN N N 69 120.358 119.592 0.766 1 1 717 . 11 1 1 A 70 70 THR H H 70 7.809 7.727 0.082 1 1 718 . 11 1 1 A 70 70 THR HA H 70 3.979 3.832 0.147 1 1 723 . 11 1 1 A 70 70 THR C C 70 176.394 176.429 -0.035 1 1 724 . 11 1 1 A 70 70 THR CA C 70 66.028 66.630 -0.602 1 1 725 . 11 1 1 A 70 70 THR CB C 70 68.198 68.707 -0.509 1 1 727 . 11 1 1 A 70 70 THR N N 70 116.198 116.593 -0.395 1 1 728 . 11 1 1 A 71 71 ALA H H 71 7.859 8.435 -0.576 1 1 729 . 11 1 1 A 71 71 ALA HA H 71 3.994 4.132 -0.138 1 1 733 . 11 1 1 A 71 71 ALA CA C 71 54.902 55.031 -0.129 1 1 734 . 11 1 1 A 71 71 ALA CB C 71 17.926 17.990 -0.064 1 1 735 . 11 1 1 A 71 71 ALA N N 71 126.667 124.195 2.472 1 1 736 . 11 1 1 A 72 72 LEU H H 72 9.261 7.907 1.354 1 1 737 . 11 1 1 A 72 72 LEU HA H 72 3.915 4.081 -0.166 1 1 743 . 11 1 1 A 72 72 LEU C C 72 179.219 178.387 0.832 1 1 744 . 11 1 1 A 72 72 LEU CA C 72 58.406 58.334 0.072 1 1 745 . 11 1 1 A 72 72 LEU CB C 72 38.744 41.663 -2.919 1 1 747 . 11 1 1 A 72 72 LEU N N 72 119.657 120.462 -0.805 1 1 748 . 11 1 1 A 73 73 ASN H H 73 8.542 8.147 0.395 1 1 749 . 11 1 1 A 73 73 ASN HA H 73 4.606 4.471 0.135 1 1 754 . 11 1 1 A 73 73 ASN CA C 73 55.711 56.229 -0.518 1 1 755 . 11 1 1 A 73 73 ASN CB C 73 37.398 37.668 -0.270 1 1 756 . 11 1 1 A 73 73 ASN N N 73 118.851 117.103 1.748 1 1 758 . 11 1 1 A 74 74 SER H H 74 7.849 7.679 0.170 1 1 759 . 11 1 1 A 74 74 SER HA H 74 4.379 4.182 0.197 1 1 762 . 11 1 1 A 74 74 SER C C 74 175.881 177.422 -1.541 1 1 763 . 11 1 1 A 74 74 SER CA C 74 61.405 61.632 -0.227 1 1 764 . 11 1 1 A 74 74 SER N N 74 118.042 115.537 2.505 1 1 765 . 11 1 1 A 75 75 LEU H H 75 8.084 8.739 -0.655 1 1 766 . 11 1 1 A 75 75 LEU HA H 75 4.181 3.960 0.221 1 1 773 . 11 1 1 A 75 75 LEU C C 75 176.899 179.287 -2.388 1 1 774 . 11 1 1 A 75 75 LEU CA C 75 56.746 58.146 -1.400 1 1 775 . 11 1 1 A 75 75 LEU CB C 75 41.896 41.667 0.229 1 1 777 . 11 1 1 A 75 75 LEU N N 75 124.099 121.748 2.351 1 1 778 . 11 1 1 A 76 76 ALA H H 76 8.695 8.249 0.446 1 1 779 . 11 1 1 A 76 76 ALA HA H 76 4.134 4.222 -0.088 1 1 783 . 11 1 1 A 76 76 ALA C C 76 180.159 180.412 -0.253 1 1 784 . 11 1 1 A 76 76 ALA CA C 76 55.315 55.639 -0.324 1 1 785 . 11 1 1 A 76 76 ALA CB C 76 17.624 18.175 -0.551 1 1 786 . 11 1 1 A 76 76 ALA N N 76 121.934 120.510 1.424 1 1 787 . 11 1 1 A 77 77 GLY H H 77 8.198 8.221 -0.023 1 1 788 . 11 1 1 A 77 77 GLY HA2 H 77 3.917 3.634 0.283 1 1 789 . 11 1 1 A 77 77 GLY HA3 H 77 3.925 3.671 0.254 1 1 790 . 11 1 1 A 77 77 GLY C C 77 175.177 175.441 -0.264 1 1 791 . 11 1 1 A 77 77 GLY CA C 77 46.066 47.196 -1.130 1 1 792 . 11 1 1 A 77 77 GLY N N 77 105.613 106.914 -1.301 1 1 793 . 11 1 1 A 78 78 TYR H H 78 7.973 8.138 -0.165 1 1 794 . 11 1 1 A 78 78 TYR HA H 78 4.326 4.248 0.078 1 1 797 . 11 1 1 A 78 78 TYR C C 78 176.705 177.566 -0.861 1 1 798 . 11 1 1 A 78 78 TYR CA C 78 61.280 60.503 0.777 1 1 799 . 11 1 1 A 78 78 TYR CB C 78 37.737 39.127 -1.390 1 1 800 . 11 1 1 A 78 78 TYR N N 78 123.680 123.049 0.631 1 1 801 . 11 1 1 A 79 79 TYR H H 79 8.347 8.144 0.203 1 1 802 . 11 1 1 A 79 79 TYR HA H 79 4.750 3.964 0.786 1 1 805 . 11 1 1 A 79 79 TYR C C 79 178.135 177.377 0.758 1 1 806 . 11 1 1 A 79 79 TYR CA C 79 57.389 61.276 -3.887 1 1 807 . 11 1 1 A 79 79 TYR CB C 79 36.796 38.528 -1.732 1 1 808 . 11 1 1 A 79 79 TYR N N 79 119.870 120.661 -0.791 1 1 809 . 11 1 1 A 80 80 THR H H 80 8.180 8.372 -0.192 1 1 810 . 11 1 1 A 80 80 THR HA H 80 4.208 3.304 0.904 1 1 815 . 11 1 1 A 80 80 THR C C 80 175.302 175.094 0.208 1 1 816 . 11 1 1 A 80 80 THR CA C 80 64.276 64.864 -0.588 1 1 817 . 11 1 1 A 80 80 THR CB C 80 69.098 67.946 1.152 1 1 819 . 11 1 1 A 80 80 THR N N 80 114.967 113.331 1.636 1 1 820 . 11 1 1 A 81 81 SER H H 81 8.027 7.480 0.547 1 1 821 . 11 1 1 A 81 81 SER HA H 81 4.214 4.424 -0.210 1 1 824 . 11 1 1 A 81 81 SER C C 81 174.305 173.411 0.894 1 1 825 . 11 1 1 A 81 81 SER CA C 81 60.578 58.282 2.296 1 1 826 . 11 1 1 A 81 81 SER CB C 81 63.385 64.010 -0.625 1 1 827 . 11 1 1 A 81 81 SER N N 81 116.664 117.057 -0.393 1 1 828 . 11 1 1 A 82 82 TYR H H 82 8.396 8.696 -0.300 1 1 829 . 11 1 1 A 82 82 TYR HA H 82 4.612 4.551 0.061 1 1 832 . 11 1 1 A 82 82 TYR C C 82 176.069 176.059 0.010 1 1 833 . 11 1 1 A 82 82 TYR CA C 82 57.676 57.909 -0.233 1 1 834 . 11 1 1 A 82 82 TYR CB C 82 38.160 39.463 -1.303 1 1 835 . 11 1 1 A 82 82 TYR N N 82 119.325 120.811 -1.486 1 1 836 . 11 1 1 A 83 83 GLY H H 83 7.982 8.075 -0.093 1 1 837 . 11 1 1 A 83 83 GLY HA2 H 83 4.021 3.795 0.226 1 1 838 . 11 1 1 A 83 83 GLY HA3 H 83 3.877 3.831 0.046 1 1 839 . 11 1 1 A 83 83 GLY C C 83 178.820 174.871 3.949 1 1 840 . 11 1 1 A 83 83 GLY CA C 83 46.170 45.661 0.509 1 1 841 . 11 1 1 A 83 83 GLY N N 83 111.287 108.243 3.044 1 1 842 . 11 1 1 A 84 84 ALA H H 84 8.505 9.012 -0.507 1 1 843 . 11 1 1 A 84 84 ALA HA H 84 4.619 3.916 0.703 1 1 847 . 11 1 1 A 84 84 ALA C C 84 176.933 176.181 0.752 1 1 848 . 11 1 1 A 84 84 ALA CA C 84 51.514 52.968 -1.454 1 1 849 . 11 1 1 A 84 84 ALA CB C 84 18.109 17.844 0.265 1 1 850 . 11 1 1 A 84 84 ALA N N 84 126.408 123.249 3.159 1 1 851 . 11 1 1 A 85 85 ARG H H 85 8.057 7.812 0.245 1 1 852 . 11 1 1 A 85 85 ARG HA H 85 4.696 4.798 -0.102 1 1 854 . 11 1 1 A 85 85 ARG CA C 85 53.887 52.927 0.960 1 1 855 . 11 1 1 A 85 85 ARG CB C 85 30.500 32.796 -2.296 1 1 856 . 11 1 1 A 85 85 ARG N N 85 123.060 116.307 6.753 1 1 857 . 11 1 1 A 86 86 PRO HA H 86 4.426 4.440 -0.014 1 1 862 . 11 1 1 A 86 86 PRO CA C 86 62.541 63.276 -0.735 1 1 863 . 11 1 1 A 86 86 PRO CB C 86 31.477 31.773 -0.296 1 1 864 . 11 1 1 A 87 87 ILE H H 87 8.449 8.354 0.095 1 1 865 . 11 1 1 A 87 87 ILE HA H 87 3.821 4.285 -0.464 1 1 875 . 11 1 1 A 87 87 ILE CA C 87 58.300 60.105 -1.805 1 1 876 . 11 1 1 A 87 87 ILE CB C 87 37.630 38.379 -0.749 1 1 880 . 11 1 1 A 87 87 ILE N N 87 125.558 124.033 1.525 1 1 881 . 11 1 1 A 88 88 PRO HA H 88 4.425 4.702 -0.277 1 1 884 . 11 1 1 A 88 88 PRO C C 88 177.001 177.884 -0.883 1 1 885 . 11 1 1 A 88 88 PRO CA C 88 62.298 62.551 -0.253 1 1 886 . 11 1 1 A 88 88 PRO CB C 88 32.070 32.491 -0.421 1 1 887 . 11 1 1 A 89 89 GLU H H 89 8.861 8.712 0.149 1 1 888 . 11 1 1 A 89 89 GLU HA H 89 3.871 3.987 -0.116 1 1 891 . 11 1 1 A 89 89 GLU C C 89 177.756 178.604 -0.848 1 1 892 . 11 1 1 A 89 89 GLU CA C 89 59.711 58.938 0.773 1 1 893 . 11 1 1 A 89 89 GLU CB C 89 29.119 28.937 0.182 1 1 894 . 11 1 1 A 89 89 GLU N N 89 125.518 123.125 2.393 1 1 895 . 11 1 1 A 90 90 LYS H H 90 8.827 7.919 0.908 1 1 896 . 11 1 1 A 90 90 LYS HA H 90 3.969 4.110 -0.141 1 1 899 . 11 1 1 A 90 90 LYS C C 90 178.672 179.094 -0.422 1 1 900 . 11 1 1 A 90 90 LYS CA C 90 59.423 59.202 0.221 1 1 901 . 11 1 1 A 90 90 LYS CB C 90 31.820 32.529 -0.709 1 1 902 . 11 1 1 A 90 90 LYS N N 90 117.281 119.243 -1.962 1 1 903 . 11 1 1 A 91 91 LEU H H 91 6.857 8.078 -1.221 1 1 904 . 11 1 1 A 91 91 LEU HA H 91 4.212 4.350 -0.138 1 1 911 . 11 1 1 A 91 91 LEU CA C 91 56.390 57.407 -1.017 1 1 912 . 11 1 1 A 91 91 LEU CB C 91 40.627 41.164 -0.537 1 1 915 . 11 1 1 A 91 91 LEU N N 91 120.818 119.428 1.390 1 1 916 . 11 1 1 A 92 92 LYS H H 92 8.156 8.477 -0.321 1 1 917 . 11 1 1 A 92 92 LYS HA H 92 3.558 3.976 -0.418 1 1 925 . 11 1 1 A 92 92 LYS C C 92 177.480 178.973 -1.493 1 1 926 . 11 1 1 A 92 92 LYS CA C 92 60.613 59.578 1.035 1 1 927 . 11 1 1 A 92 92 LYS CB C 92 31.812 32.094 -0.282 1 1 931 . 11 1 1 A 92 92 LYS N N 92 120.663 120.617 0.046 1 1 932 . 11 1 1 A 93 93 LYS H H 93 8.156 8.218 -0.062 1 1 933 . 11 1 1 A 93 93 LYS HA H 93 4.032 4.009 0.023 1 1 936 . 11 1 1 A 93 93 LYS C C 93 178.757 179.350 -0.593 1 1 937 . 11 1 1 A 93 93 LYS CA C 93 58.546 59.128 -0.582 1 1 938 . 11 1 1 A 93 93 LYS CB C 93 31.726 31.845 -0.119 1 1 939 . 11 1 1 A 93 93 LYS N N 93 116.478 119.055 -2.577 1 1 940 . 11 1 1 A 94 94 ARG H H 94 7.287 8.028 -0.741 1 1 941 . 11 1 1 A 94 94 ARG HA H 94 4.032 4.088 -0.056 1 1 948 . 11 1 1 A 94 94 ARG C C 94 177.872 178.403 -0.531 1 1 949 . 11 1 1 A 94 94 ARG CA C 94 58.639 59.135 -0.496 1 1 950 . 11 1 1 A 94 94 ARG CB C 94 29.490 30.666 -1.176 1 1 953 . 11 1 1 A 94 94 ARG N N 94 120.980 119.133 1.847 1 1 955 . 11 1 1 A 95 95 LEU H H 95 8.365 8.685 -0.320 1 1 956 . 11 1 1 A 95 95 LEU HA H 95 3.597 4.118 -0.521 1 1 960 . 11 1 1 A 95 95 LEU C C 95 177.342 178.920 -1.578 1 1 961 . 11 1 1 A 95 95 LEU CA C 95 57.009 57.006 0.003 1 1 962 . 11 1 1 A 95 95 LEU CB C 95 40.718 41.313 -0.595 1 1 964 . 11 1 1 A 95 95 LEU N N 95 119.611 119.172 0.439 1 1 965 . 11 1 1 A 96 96 GLN H H 96 8.126 8.499 -0.373 1 1 966 . 11 1 1 A 96 96 GLN HA H 96 4.033 4.238 -0.205 1 1 972 . 11 1 1 A 96 96 GLN C C 96 179.502 178.127 1.375 1 1 973 . 11 1 1 A 96 96 GLN CA C 96 58.743 58.675 0.068 1 1 974 . 11 1 1 A 96 96 GLN CB C 96 27.315 28.541 -1.226 1 1 976 . 11 1 1 A 96 96 GLN N N 96 115.986 119.478 -3.492 1 1 978 . 11 1 1 A 97 97 LEU H H 97 7.574 8.301 -0.727 1 1 979 . 11 1 1 A 97 97 LEU HA H 97 4.176 4.456 -0.280 1 1 983 . 11 1 1 A 97 97 LEU CA C 97 57.816 57.361 0.455 1 1 984 . 11 1 1 A 97 97 LEU CB C 97 41.107 42.000 -0.893 1 1 985 . 11 1 1 A 97 97 LEU N N 97 121.721 121.029 0.692 1 1 986 . 11 1 1 A 98 98 GLU H H 98 8.180 8.453 -0.273 1 1 987 . 11 1 1 A 98 98 GLU HA H 98 3.970 3.994 -0.024 1 1 989 . 11 1 1 A 98 98 GLU C C 98 178.852 178.969 -0.117 1 1 990 . 11 1 1 A 98 98 GLU CA C 98 59.074 59.587 -0.513 1 1 991 . 11 1 1 A 98 98 GLU CB C 98 28.376 29.384 -1.008 1 1 992 . 11 1 1 A 98 98 GLU N N 98 122.418 119.652 2.766 1 1 993 . 11 1 1 A 99 99 PHE H H 99 8.995 8.695 0.300 1 1 994 . 11 1 1 A 99 99 PHE HA H 99 4.560 4.150 0.410 1 1 997 . 11 1 1 A 99 99 PHE C C 99 178.050 177.876 0.174 1 1 998 . 11 1 1 A 99 99 PHE CA C 99 57.595 61.146 -3.551 1 1 999 . 11 1 1 A 99 99 PHE CB C 99 36.788 38.964 -2.176 1 1 1000 . 11 1 1 A 99 99 PHE N N 99 118.943 122.456 -3.513 1 1 1001 . 11 1 1 A 100 100 THR H H 100 7.985 8.683 -0.698 1 1 1002 . 11 1 1 A 100 100 THR HA H 100 4.097 3.511 0.586 1 1 1007 . 11 1 1 A 100 100 THR CA C 100 66.567 65.602 0.965 1 1 1008 . 11 1 1 A 100 100 THR CB C 100 68.200 68.000 0.200 1 1 1010 . 11 1 1 A 100 100 THR N N 100 117.633 112.638 4.995 1 1 1011 . 11 1 1 A 101 101 GLN H H 101 8.160 8.162 -0.002 1 1 1012 . 11 1 1 A 101 101 GLN HA H 101 4.017 3.971 0.046 1 1 1018 . 11 1 1 A 101 101 GLN C C 101 179.034 177.713 1.321 1 1 1019 . 11 1 1 A 101 101 GLN CA C 101 58.649 58.431 0.218 1 1 1020 . 11 1 1 A 101 101 GLN CB C 101 27.541 28.694 -1.153 1 1 1022 . 11 1 1 A 101 101 GLN N N 101 122.138 121.616 0.522 1 1 1024 . 11 1 1 A 102 102 ALA H H 102 8.768 8.582 0.186 1 1 1025 . 11 1 1 A 102 102 ALA HA H 102 4.036 4.022 0.014 1 1 1029 . 11 1 1 A 102 102 ALA C C 102 178.466 179.414 -0.948 1 1 1030 . 11 1 1 A 102 102 ALA CA C 102 55.525 55.306 0.219 1 1 1031 . 11 1 1 A 102 102 ALA CB C 102 18.046 18.342 -0.296 1 1 1032 . 11 1 1 A 102 102 ALA N N 102 124.541 121.772 2.769 1 1 1033 . 11 1 1 A 103 103 GLU H H 103 8.552 8.554 -0.002 1 1 1034 . 11 1 1 A 103 103 GLU HA H 103 3.680 4.070 -0.390 1 1 1039 . 11 1 1 A 103 103 GLU C C 103 178.447 178.504 -0.057 1 1 1040 . 11 1 1 A 103 103 GLU CA C 103 59.802 59.571 0.231 1 1 1041 . 11 1 1 A 103 103 GLU CB C 103 29.672 29.291 0.381 1 1 1043 . 11 1 1 A 103 103 GLU N N 103 120.048 118.796 1.252 1 1 1044 . 11 1 1 A 104 104 ARG H H 104 8.242 8.358 -0.116 1 1 1045 . 11 1 1 A 104 104 ARG HA H 104 4.214 4.023 0.191 1 1 1048 . 11 1 1 A 104 104 ARG C C 104 178.958 178.255 0.703 1 1 1049 . 11 1 1 A 104 104 ARG CA C 104 58.135 59.338 -1.203 1 1 1050 . 11 1 1 A 104 104 ARG CB C 104 29.742 29.701 0.041 1 1 1051 . 11 1 1 A 104 104 ARG N N 104 119.448 120.260 -0.812 1 1 1052 . 11 1 1 A 105 105 SER H H 105 8.087 7.890 0.197 1 1 1053 . 11 1 1 A 105 105 SER HA H 105 4.290 4.170 0.120 1 1 1056 . 11 1 1 A 105 105 SER CA C 105 61.917 62.082 -0.165 1 1 1057 . 11 1 1 A 105 105 SER N N 105 117.329 113.495 3.834 1 1 1058 . 11 1 1 A 106 106 ILE H H 106 8.403 7.710 0.693 1 1 1059 . 11 1 1 A 106 106 ILE HA H 106 4.113 3.673 0.440 1 1 1069 . 11 1 1 A 106 106 ILE CA C 106 61.487 65.012 -3.525 1 1 1070 . 11 1 1 A 106 106 ILE CB C 106 35.600 37.379 -1.779 1 1 1074 . 11 1 1 A 106 106 ILE N N 106 124.394 121.162 3.232 1 1 1075 . 11 1 1 A 107 107 GLU H H 107 8.187 8.085 0.102 1 1 1076 . 11 1 1 A 107 107 GLU HA H 107 4.126 4.054 0.072 1 1 1079 . 11 1 1 A 107 107 GLU C C 107 177.494 177.015 0.479 1 1 1080 . 11 1 1 A 107 107 GLU CA C 107 58.849 59.143 -0.294 1 1 1081 . 11 1 1 A 107 107 GLU CB C 107 29.052 29.753 -0.701 1 1 1082 . 11 1 1 A 107 107 GLU N N 107 123.223 120.713 2.510 1 1 1083 . 11 1 1 A 108 108 ARG H H 108 7.651 8.146 -0.495 1 1 1084 . 11 1 1 A 108 108 ARG HA H 108 4.431 4.508 -0.077 1 1 1090 . 11 1 1 A 108 108 ARG C C 108 175.927 176.670 -0.743 1 1 1091 . 11 1 1 A 108 108 ARG CA C 108 55.584 56.973 -1.389 1 1 1092 . 11 1 1 A 108 108 ARG CB C 108 30.806 31.323 -0.517 1 1 1094 . 11 1 1 A 108 108 ARG N N 108 117.394 116.867 0.527 1 1 1095 . 11 1 1 A 109 109 GLY H H 109 8.190 7.637 0.553 1 1 1096 . 11 1 1 A 109 109 GLY HA2 H 109 4.141 4.031 0.110 1 1 1097 . 11 1 1 A 109 109 GLY HA3 H 109 4.060 4.038 0.022 1 1 1098 . 11 1 1 A 109 109 GLY C C 109 174.031 174.858 -0.827 1 1 1099 . 11 1 1 A 109 109 GLY CA C 109 45.823 45.141 0.682 1 1 1100 . 11 1 1 A 109 109 GLY N N 109 110.712 104.727 5.985 1 1 7 . 12 1 1 A 2 2 ASP H H 2 8.644 8.779 -0.135 1 1 8 . 12 1 1 A 2 2 ASP HA H 2 4.373 4.640 -0.267 1 1 11 . 12 1 1 A 2 2 ASP C C 2 178.938 176.404 2.534 1 1 12 . 12 1 1 A 2 2 ASP CA C 2 53.794 56.333 -2.539 1 1 13 . 12 1 1 A 2 2 ASP CB C 2 41.025 40.892 0.133 1 1 14 . 12 1 1 A 2 2 ASP N N 2 122.106 125.568 -3.462 1 1 15 . 12 1 1 A 3 3 SER H H 3 8.508 7.681 0.827 1 1 16 . 12 1 1 A 3 3 SER HA H 3 4.331 4.495 -0.164 1 1 19 . 12 1 1 A 3 3 SER C C 3 174.777 174.692 0.085 1 1 20 . 12 1 1 A 3 3 SER CA C 3 58.141 59.934 -1.793 1 1 21 . 12 1 1 A 3 3 SER CB C 3 63.359 62.648 0.711 1 1 22 . 12 1 1 A 3 3 SER N N 3 117.604 111.581 6.023 1 1 23 . 12 1 1 A 4 4 GLY H H 4 8.603 8.535 0.068 1 1 24 . 12 1 1 A 4 4 GLY HA2 H 4 4.130 4.183 -0.053 1 1 25 . 12 1 1 A 4 4 GLY HA3 H 4 4.076 4.184 -0.108 1 1 26 . 12 1 1 A 4 4 GLY C C 4 174.283 172.634 1.649 1 1 27 . 12 1 1 A 4 4 GLY CA C 4 45.054 44.550 0.504 1 1 28 . 12 1 1 A 4 4 GLY N N 4 111.842 112.558 -0.716 1 1 29 . 12 1 1 A 5 5 THR H H 5 8.140 8.697 -0.557 1 1 30 . 12 1 1 A 5 5 THR HA H 5 4.371 4.747 -0.376 1 1 35 . 12 1 1 A 5 5 THR C C 5 174.827 172.975 1.852 1 1 36 . 12 1 1 A 5 5 THR CA C 5 61.515 61.040 0.475 1 1 37 . 12 1 1 A 5 5 THR CB C 5 69.683 71.886 -2.203 1 1 39 . 12 1 1 A 5 5 THR N N 5 112.188 114.238 -2.050 1 1 40 . 12 1 1 A 6 6 GLY H H 6 8.425 8.333 0.092 1 1 41 . 12 1 1 A 6 6 GLY HA2 H 6 4.109 4.259 -0.150 1 1 42 . 12 1 1 A 6 6 GLY HA3 H 6 3.875 4.280 -0.405 1 1 43 . 12 1 1 A 6 6 GLY C C 6 173.670 174.634 -0.964 1 1 44 . 12 1 1 A 6 6 GLY CA C 6 44.466 45.749 -1.283 1 1 45 . 12 1 1 A 6 6 GLY N N 6 110.955 110.521 0.434 1 1 46 . 12 1 1 A 7 7 LEU H H 7 7.993 7.476 0.517 1 1 47 . 12 1 1 A 7 7 LEU HA H 7 4.503 4.424 0.079 1 1 53 . 12 1 1 A 7 7 LEU C C 7 177.284 176.685 0.599 1 1 54 . 12 1 1 A 7 7 LEU CA C 7 54.741 55.035 -0.294 1 1 55 . 12 1 1 A 7 7 LEU CB C 7 39.284 42.844 -3.560 1 1 58 . 12 1 1 A 7 7 LEU N N 7 121.268 120.751 0.517 1 1 59 . 12 1 1 A 8 8 THR H H 8 10.385 8.382 2.003 1 1 60 . 12 1 1 A 8 8 THR HA H 8 4.521 4.039 0.482 1 1 65 . 12 1 1 A 8 8 THR C C 8 176.965 173.677 3.288 1 1 66 . 12 1 1 A 8 8 THR CA C 8 64.563 61.744 2.819 1 1 67 . 12 1 1 A 8 8 THR CB C 8 71.946 71.115 0.831 1 1 69 . 12 1 1 A 8 8 THR N N 8 113.472 114.003 -0.531 1 1 70 . 12 1 1 A 9 9 GLY H H 9 9.733 7.761 1.972 1 1 71 . 12 1 1 A 9 9 GLY HA2 H 9 4.391 3.838 0.553 1 1 72 . 12 1 1 A 9 9 GLY HA3 H 9 3.805 3.860 -0.055 1 1 73 . 12 1 1 A 9 9 GLY C C 9 173.133 174.045 -0.912 1 1 74 . 12 1 1 A 9 9 GLY CA C 9 45.453 46.707 -1.254 1 1 75 . 12 1 1 A 9 9 GLY N N 9 114.948 110.966 3.982 1 1 76 . 12 1 1 A 10 10 ASN H H 10 7.664 8.177 -0.513 1 1 77 . 12 1 1 A 10 10 ASN HA H 10 4.906 4.656 0.250 1 1 82 . 12 1 1 A 10 10 ASN C C 10 173.098 174.636 -1.538 1 1 83 . 12 1 1 A 10 10 ASN CA C 10 51.504 52.288 -0.784 1 1 84 . 12 1 1 A 10 10 ASN CB C 10 38.449 40.444 -1.995 1 1 85 . 12 1 1 A 10 10 ASN N N 10 120.991 118.681 2.310 1 1 87 . 12 1 1 A 11 11 TYR H H 11 8.892 8.695 0.197 1 1 88 . 12 1 1 A 11 11 TYR HA H 11 3.767 4.762 -0.995 1 1 91 . 12 1 1 A 11 11 TYR C C 11 177.871 177.773 0.098 1 1 92 . 12 1 1 A 11 11 TYR CA C 11 61.897 58.080 3.817 1 1 93 . 12 1 1 A 11 11 TYR CB C 11 38.099 39.117 -1.018 1 1 94 . 12 1 1 A 11 11 TYR N N 11 128.653 119.415 9.238 1 1 95 . 12 1 1 A 12 12 SER H H 12 8.729 8.749 -0.020 1 1 96 . 12 1 1 A 12 12 SER HA H 12 3.747 4.241 -0.494 1 1 99 . 12 1 1 A 12 12 SER C C 12 174.675 177.021 -2.346 1 1 100 . 12 1 1 A 12 12 SER CA C 12 62.371 61.578 0.793 1 1 101 . 12 1 1 A 12 12 SER CB C 12 61.600 62.571 -0.971 1 1 102 . 12 1 1 A 12 12 SER N N 12 119.446 115.695 3.751 1 1 103 . 12 1 1 A 13 13 GLN H H 13 7.645 8.158 -0.513 1 1 104 . 12 1 1 A 13 13 GLN HA H 13 3.955 3.950 0.005 1 1 110 . 12 1 1 A 13 13 GLN C C 13 178.400 178.481 -0.081 1 1 111 . 12 1 1 A 13 13 GLN CA C 13 58.083 59.081 -0.998 1 1 112 . 12 1 1 A 13 13 GLN CB C 13 28.328 28.308 0.020 1 1 114 . 12 1 1 A 13 13 GLN N N 13 121.234 121.835 -0.601 1 1 116 . 12 1 1 A 14 14 ASP H H 14 9.314 8.124 1.190 1 1 117 . 12 1 1 A 14 14 ASP HA H 14 4.513 4.333 0.180 1 1 120 . 12 1 1 A 14 14 ASP C C 14 177.320 178.686 -1.366 1 1 121 . 12 1 1 A 14 14 ASP CA C 14 56.778 56.740 0.038 1 1 122 . 12 1 1 A 14 14 ASP CB C 14 40.380 40.375 0.005 1 1 123 . 12 1 1 A 14 14 ASP N N 14 120.095 119.473 0.622 1 1 124 . 12 1 1 A 15 15 THR H H 15 8.283 8.220 0.063 1 1 125 . 12 1 1 A 15 15 THR HA H 15 3.637 3.845 -0.208 1 1 130 . 12 1 1 A 15 15 THR C C 15 174.455 177.028 -2.573 1 1 131 . 12 1 1 A 15 15 THR CA C 15 67.657 67.183 0.474 1 1 132 . 12 1 1 A 15 15 THR CB C 15 67.465 68.439 -0.974 1 1 134 . 12 1 1 A 15 15 THR N N 15 117.657 117.604 0.053 1 1 135 . 12 1 1 A 16 16 LEU H H 16 7.452 8.056 -0.604 1 1 136 . 12 1 1 A 16 16 LEU HA H 16 3.919 3.947 -0.028 1 1 140 . 12 1 1 A 16 16 LEU C C 16 179.666 178.822 0.844 1 1 141 . 12 1 1 A 16 16 LEU CA C 16 57.864 57.896 -0.032 1 1 142 . 12 1 1 A 16 16 LEU CB C 16 39.811 41.048 -1.237 1 1 144 . 12 1 1 A 16 16 LEU N N 16 120.034 117.895 2.139 1 1 145 . 12 1 1 A 17 17 THR H H 17 8.708 7.778 0.930 1 1 146 . 12 1 1 A 17 17 THR HA H 17 3.893 3.932 -0.039 1 1 151 . 12 1 1 A 17 17 THR C C 17 179.666 176.879 2.787 1 1 152 . 12 1 1 A 17 17 THR CA C 17 66.152 66.802 -0.650 1 1 153 . 12 1 1 A 17 17 THR CB C 17 67.921 68.749 -0.828 1 1 155 . 12 1 1 A 17 17 THR N N 17 121.382 115.099 6.283 1 1 156 . 12 1 1 A 18 18 VAL H H 18 8.194 7.651 0.543 1 1 157 . 12 1 1 A 18 18 VAL HA H 18 3.705 3.534 0.171 1 1 165 . 12 1 1 A 18 18 VAL C C 18 177.242 177.948 -0.706 1 1 166 . 12 1 1 A 18 18 VAL CA C 18 65.886 67.053 -1.167 1 1 167 . 12 1 1 A 18 18 VAL CB C 18 30.729 31.701 -0.972 1 1 170 . 12 1 1 A 18 18 VAL N N 18 123.227 121.212 2.015 1 1 171 . 12 1 1 A 19 19 ILE H H 19 7.933 7.778 0.155 1 1 172 . 12 1 1 A 19 19 ILE HA H 19 2.633 3.506 -0.873 1 1 182 . 12 1 1 A 19 19 ILE C C 19 176.276 178.162 -1.886 1 1 183 . 12 1 1 A 19 19 ILE CA C 19 66.137 63.739 2.398 1 1 184 . 12 1 1 A 19 19 ILE CB C 19 37.782 36.798 0.984 1 1 188 . 12 1 1 A 19 19 ILE N N 19 119.786 119.000 0.786 1 1 189 . 12 1 1 A 20 20 ALA H H 20 7.782 8.320 -0.538 1 1 190 . 12 1 1 A 20 20 ALA HA H 20 3.972 3.926 0.046 1 1 194 . 12 1 1 A 20 20 ALA C C 20 180.867 179.380 1.487 1 1 195 . 12 1 1 A 20 20 ALA CA C 20 55.170 55.036 0.134 1 1 196 . 12 1 1 A 20 20 ALA CB C 20 17.282 17.984 -0.702 1 1 197 . 12 1 1 A 20 20 ALA N N 20 121.793 124.051 -2.258 1 1 198 . 12 1 1 A 21 21 THR H H 21 8.573 7.595 0.978 1 1 199 . 12 1 1 A 21 21 THR HA H 21 3.902 3.865 0.037 1 1 204 . 12 1 1 A 21 21 THR C C 21 176.720 176.734 -0.014 1 1 205 . 12 1 1 A 21 21 THR CA C 21 65.200 66.753 -1.553 1 1 206 . 12 1 1 A 21 21 THR CB C 21 68.092 67.761 0.331 1 1 208 . 12 1 1 A 21 21 THR N N 21 118.393 115.356 3.037 1 1 209 . 12 1 1 A 22 22 LEU H H 22 8.583 7.585 0.998 1 1 210 . 12 1 1 A 22 22 LEU HA H 22 4.065 3.862 0.203 1 1 217 . 12 1 1 A 22 22 LEU C C 22 178.284 179.041 -0.757 1 1 218 . 12 1 1 A 22 22 LEU CA C 22 57.005 57.892 -0.887 1 1 219 . 12 1 1 A 22 22 LEU CB C 22 40.209 41.036 -0.827 1 1 223 . 12 1 1 A 22 22 LEU N N 22 122.517 121.740 0.777 1 1 224 . 12 1 1 A 23 23 ARG H H 23 8.858 8.193 0.665 1 1 225 . 12 1 1 A 23 23 ARG HA H 23 3.873 3.784 0.089 1 1 230 . 12 1 1 A 23 23 ARG C C 23 178.503 178.931 -0.428 1 1 231 . 12 1 1 A 23 23 ARG CA C 23 60.362 59.536 0.826 1 1 232 . 12 1 1 A 23 23 ARG CB C 23 29.808 29.852 -0.044 1 1 235 . 12 1 1 A 23 23 ARG N N 23 120.502 117.572 2.930 1 1 237 . 12 1 1 A 24 24 GLU H H 24 7.250 7.908 -0.658 1 1 238 . 12 1 1 A 24 24 GLU HA H 24 4.109 4.028 0.081 1 1 243 . 12 1 1 A 24 24 GLU CA C 24 58.312 58.931 -0.619 1 1 244 . 12 1 1 A 24 24 GLU CB C 24 29.024 28.979 0.045 1 1 246 . 12 1 1 A 24 24 GLU N N 24 117.221 120.030 -2.809 1 1 247 . 12 1 1 A 25 25 ALA H H 25 8.223 8.141 0.082 1 1 248 . 12 1 1 A 25 25 ALA HA H 25 3.983 4.099 -0.116 1 1 252 . 12 1 1 A 25 25 ALA C C 25 180.617 180.380 0.237 1 1 253 . 12 1 1 A 25 25 ALA CA C 25 55.203 55.166 0.037 1 1 254 . 12 1 1 A 25 25 ALA CB C 25 17.657 18.192 -0.535 1 1 255 . 12 1 1 A 25 25 ALA N N 25 121.823 122.615 -0.792 1 1 256 . 12 1 1 A 26 26 ILE H H 26 8.552 7.869 0.683 1 1 257 . 12 1 1 A 26 26 ILE HA H 26 4.144 3.953 0.191 1 1 267 . 12 1 1 A 26 26 ILE C C 26 175.586 175.690 -0.104 1 1 268 . 12 1 1 A 26 26 ILE CA C 26 63.790 63.291 0.499 1 1 269 . 12 1 1 A 26 26 ILE CB C 26 37.496 38.620 -1.124 1 1 273 . 12 1 1 A 26 26 ILE N N 26 112.838 119.160 -6.322 1 1 274 . 12 1 1 A 27 27 ASP H H 27 7.175 7.520 -0.345 1 1 275 . 12 1 1 A 27 27 ASP HA H 27 4.934 4.815 0.119 1 1 278 . 12 1 1 A 27 27 ASP C C 27 175.602 174.503 1.099 1 1 279 . 12 1 1 A 27 27 ASP CA C 27 53.160 53.373 -0.213 1 1 280 . 12 1 1 A 27 27 ASP CB C 27 41.754 41.038 0.716 1 1 281 . 12 1 1 A 27 27 ASP N N 27 120.840 122.096 -1.256 1 1 282 . 12 1 1 A 28 28 LEU H H 28 7.136 7.511 -0.375 1 1 283 . 12 1 1 A 28 28 LEU HA H 28 4.510 4.586 -0.076 1 1 290 . 12 1 1 A 28 28 LEU CA C 28 53.379 53.157 0.222 1 1 291 . 12 1 1 A 28 28 LEU CB C 28 42.286 41.790 0.496 1 1 294 . 12 1 1 A 28 28 LEU N N 28 124.155 119.392 4.763 1 1 295 . 12 1 1 A 29 29 PRO HA H 29 4.552 4.521 0.031 1 1 301 . 12 1 1 A 29 29 PRO C C 29 177.414 177.126 0.288 1 1 302 . 12 1 1 A 29 29 PRO CA C 29 62.506 62.829 -0.323 1 1 303 . 12 1 1 A 29 29 PRO CB C 29 32.263 32.657 -0.394 1 1 305 . 12 1 1 A 30 30 GLN H H 30 8.935 8.595 0.340 1 1 306 . 12 1 1 A 30 30 GLN HA H 30 3.966 4.101 -0.135 1 1 311 . 12 1 1 A 30 30 GLN C C 30 175.595 176.691 -1.096 1 1 312 . 12 1 1 A 30 30 GLN CA C 30 58.036 58.244 -0.208 1 1 313 . 12 1 1 A 30 30 GLN CB C 30 28.116 28.445 -0.329 1 1 315 . 12 1 1 A 30 30 GLN N N 30 122.119 121.508 0.611 1 1 317 . 12 1 1 A 31 31 ASP H H 31 8.353 7.969 0.384 1 1 318 . 12 1 1 A 31 31 ASP HA H 31 4.682 4.653 0.029 1 1 321 . 12 1 1 A 31 31 ASP C C 31 175.518 175.840 -0.322 1 1 322 . 12 1 1 A 31 31 ASP CA C 31 52.178 54.795 -2.617 1 1 323 . 12 1 1 A 31 31 ASP CB C 31 39.270 41.336 -2.066 1 1 324 . 12 1 1 A 31 31 ASP N N 31 115.909 118.491 -2.582 1 1 325 . 12 1 1 A 32 32 ALA H H 32 7.467 7.666 -0.199 1 1 326 . 12 1 1 A 32 32 ALA HA H 32 4.564 4.804 -0.240 1 1 330 . 12 1 1 A 32 32 ALA CA C 32 50.496 49.942 0.554 1 1 331 . 12 1 1 A 32 32 ALA CB C 32 17.852 18.943 -1.091 1 1 332 . 12 1 1 A 32 32 ALA N N 32 124.893 121.832 3.061 1 1 333 . 12 1 1 A 33 33 PRO HA H 33 4.494 4.474 0.020 1 1 339 . 12 1 1 A 33 33 PRO C C 33 176.278 176.674 -0.396 1 1 340 . 12 1 1 A 33 33 PRO CA C 33 63.894 63.763 0.131 1 1 341 . 12 1 1 A 33 33 PRO CB C 33 31.354 31.179 0.175 1 1 344 . 12 1 1 A 34 34 ASN H H 34 8.577 8.839 -0.262 1 1 345 . 12 1 1 A 34 34 ASN HA H 34 5.041 5.102 -0.061 1 1 350 . 12 1 1 A 34 34 ASN C C 34 174.678 175.516 -0.838 1 1 351 . 12 1 1 A 34 34 ASN CA C 34 51.792 52.369 -0.577 1 1 352 . 12 1 1 A 34 34 ASN CB C 34 36.334 39.180 -2.846 1 1 353 . 12 1 1 A 34 34 ASN N N 34 115.598 117.296 -1.698 1 1 355 . 12 1 1 A 35 35 ARG H H 35 7.401 8.301 -0.900 1 1 356 . 12 1 1 A 35 35 ARG HA H 35 3.726 4.069 -0.343 1 1 363 . 12 1 1 A 35 35 ARG C C 35 176.887 178.292 -1.405 1 1 364 . 12 1 1 A 35 35 ARG CA C 35 60.063 59.147 0.916 1 1 365 . 12 1 1 A 35 35 ARG CB C 35 29.571 29.945 -0.374 1 1 368 . 12 1 1 A 35 35 ARG N N 35 119.690 119.373 0.317 1 1 370 . 12 1 1 A 36 36 GLN H H 36 8.780 8.058 0.722 1 1 371 . 12 1 1 A 36 36 GLN HA H 36 3.805 4.298 -0.493 1 1 377 . 12 1 1 A 36 36 GLN CA C 36 58.618 59.068 -0.450 1 1 378 . 12 1 1 A 36 36 GLN CB C 36 27.595 28.481 -0.886 1 1 380 . 12 1 1 A 36 36 GLN N N 36 119.100 119.569 -0.469 1 1 382 . 12 1 1 A 37 37 GLU H H 37 8.128 7.973 0.155 1 1 383 . 12 1 1 A 37 37 GLU HA H 37 4.137 4.218 -0.081 1 1 387 . 12 1 1 A 37 37 GLU C C 37 179.222 178.947 0.275 1 1 388 . 12 1 1 A 37 37 GLU CA C 37 59.336 58.827 0.509 1 1 389 . 12 1 1 A 37 37 GLU CB C 37 28.781 30.015 -1.234 1 1 391 . 12 1 1 A 37 37 GLU N N 37 120.485 119.213 1.272 1 1 392 . 12 1 1 A 38 38 VAL H H 38 8.127 8.985 -0.858 1 1 393 . 12 1 1 A 38 38 VAL HA H 38 3.708 3.686 0.022 1 1 401 . 12 1 1 A 38 38 VAL C C 38 178.246 177.939 0.307 1 1 402 . 12 1 1 A 38 38 VAL CA C 38 66.019 66.406 -0.387 1 1 403 . 12 1 1 A 38 38 VAL CB C 38 31.008 31.595 -0.587 1 1 406 . 12 1 1 A 38 38 VAL N N 38 121.937 120.347 1.590 1 1 407 . 12 1 1 A 39 39 GLN H H 39 8.324 7.613 0.711 1 1 408 . 12 1 1 A 39 39 GLN HA H 39 3.764 4.025 -0.261 1 1 415 . 12 1 1 A 39 39 GLN C C 39 177.642 177.264 0.378 1 1 416 . 12 1 1 A 39 39 GLN CA C 39 59.019 58.798 0.221 1 1 417 . 12 1 1 A 39 39 GLN CB C 39 27.176 28.548 -1.372 1 1 419 . 12 1 1 A 39 39 GLN N N 39 120.203 120.067 0.136 1 1 421 . 12 1 1 A 40 40 ASP H H 40 8.699 8.574 0.125 1 1 422 . 12 1 1 A 40 40 ASP HA H 40 4.391 4.286 0.105 1 1 425 . 12 1 1 A 40 40 ASP C C 40 179.726 178.475 1.251 1 1 426 . 12 1 1 A 40 40 ASP CA C 40 57.267 57.234 0.033 1 1 427 . 12 1 1 A 40 40 ASP CB C 40 39.458 41.080 -1.622 1 1 428 . 12 1 1 A 40 40 ASP N N 40 121.604 119.855 1.749 1 1 429 . 12 1 1 A 41 41 THR H H 41 8.449 7.851 0.598 1 1 430 . 12 1 1 A 41 41 THR HA H 41 3.981 3.974 0.007 1 1 435 . 12 1 1 A 41 41 THR CA C 41 66.254 65.976 0.278 1 1 436 . 12 1 1 A 41 41 THR CB C 41 67.937 68.556 -0.619 1 1 437 . 12 1 1 A 41 41 THR N N 41 121.386 116.235 5.151 1 1 438 . 12 1 1 A 42 42 ALA H H 42 8.552 7.688 0.864 1 1 439 . 12 1 1 A 42 42 ALA HA H 42 3.876 3.934 -0.058 1 1 443 . 12 1 1 A 42 42 ALA C C 42 178.300 179.737 -1.437 1 1 444 . 12 1 1 A 42 42 ALA CA C 42 55.244 55.117 0.127 1 1 445 . 12 1 1 A 42 42 ALA CB C 42 17.295 18.250 -0.955 1 1 446 . 12 1 1 A 42 42 ALA N N 42 126.245 123.472 2.773 1 1 447 . 12 1 1 A 43 43 ARG H H 43 8.553 7.855 0.698 1 1 448 . 12 1 1 A 43 43 ARG HA H 43 3.923 4.230 -0.307 1 1 451 . 12 1 1 A 43 43 ARG C C 43 178.522 179.538 -1.016 1 1 452 . 12 1 1 A 43 43 ARG CA C 43 59.680 59.935 -0.255 1 1 453 . 12 1 1 A 43 43 ARG CB C 43 29.887 30.232 -0.345 1 1 454 . 12 1 1 A 43 43 ARG N N 43 117.705 119.238 -1.533 1 1 455 . 12 1 1 A 44 44 GLY H H 44 8.049 8.002 0.047 1 1 456 . 12 1 1 A 44 44 GLY HA2 H 44 4.066 3.809 0.257 1 1 457 . 12 1 1 A 44 44 GLY HA3 H 44 3.972 3.809 0.163 1 1 458 . 12 1 1 A 44 44 GLY CA C 44 46.710 47.416 -0.706 1 1 459 . 12 1 1 A 44 44 GLY N N 44 106.443 107.109 -0.666 1 1 460 . 12 1 1 A 45 45 GLN H H 45 8.305 7.809 0.496 1 1 461 . 12 1 1 A 45 45 GLN HA H 45 4.204 4.043 0.161 1 1 466 . 12 1 1 A 45 45 GLN C C 45 177.942 178.477 -0.535 1 1 467 . 12 1 1 A 45 45 GLN CA C 45 59.930 58.691 1.239 1 1 468 . 12 1 1 A 45 45 GLN CB C 45 28.520 28.034 0.486 1 1 470 . 12 1 1 A 45 45 GLN N N 45 123.780 120.736 3.044 1 1 472 . 12 1 1 A 46 46 ILE H H 46 8.673 8.313 0.360 1 1 473 . 12 1 1 A 46 46 ILE HA H 46 3.594 3.664 -0.070 1 1 483 . 12 1 1 A 46 46 ILE C C 46 176.649 177.811 -1.162 1 1 484 . 12 1 1 A 46 46 ILE CA C 46 66.299 65.902 0.397 1 1 485 . 12 1 1 A 46 46 ILE CB C 46 37.762 37.877 -0.115 1 1 489 . 12 1 1 A 46 46 ILE N N 46 120.050 120.177 -0.127 1 1 490 . 12 1 1 A 47 47 ASN H H 47 7.866 8.621 -0.755 1 1 491 . 12 1 1 A 47 47 ASN HA H 47 4.525 4.352 0.173 1 1 495 . 12 1 1 A 47 47 ASN C C 47 176.649 176.612 0.037 1 1 496 . 12 1 1 A 47 47 ASN CA C 47 55.703 56.069 -0.366 1 1 497 . 12 1 1 A 47 47 ASN CB C 47 37.925 37.285 0.640 1 1 498 . 12 1 1 A 47 47 ASN N N 47 116.444 118.191 -1.747 1 1 500 . 12 1 1 A 48 48 ASP H H 48 8.185 7.765 0.420 1 1 501 . 12 1 1 A 48 48 ASP HA H 48 4.460 4.683 -0.223 1 1 504 . 12 1 1 A 48 48 ASP C C 48 176.285 178.071 -1.786 1 1 505 . 12 1 1 A 48 48 ASP CA C 48 56.635 57.385 -0.750 1 1 506 . 12 1 1 A 48 48 ASP CB C 48 41.593 41.343 0.250 1 1 507 . 12 1 1 A 48 48 ASP N N 48 121.725 119.898 1.827 1 1 508 . 12 1 1 A 49 49 TYR H H 49 8.756 8.787 -0.031 1 1 509 . 12 1 1 A 49 49 TYR HA H 49 3.892 4.295 -0.403 1 1 512 . 12 1 1 A 49 49 TYR C C 49 176.432 177.007 -0.575 1 1 513 . 12 1 1 A 49 49 TYR CA C 49 62.617 61.541 1.076 1 1 514 . 12 1 1 A 49 49 TYR CB C 49 39.188 38.602 0.586 1 1 515 . 12 1 1 A 49 49 TYR N N 49 121.005 121.616 -0.611 1 1 516 . 12 1 1 A 50 50 ILE H H 50 8.481 8.627 -0.146 1 1 517 . 12 1 1 A 50 50 ILE HA H 50 3.901 3.481 0.420 1 1 527 . 12 1 1 A 50 50 ILE C C 50 177.407 176.943 0.464 1 1 528 . 12 1 1 A 50 50 ILE CA C 50 63.893 64.010 -0.117 1 1 529 . 12 1 1 A 50 50 ILE CB C 50 36.668 38.154 -1.486 1 1 533 . 12 1 1 A 50 50 ILE N N 50 117.237 120.247 -3.010 1 1 534 . 12 1 1 A 51 51 SER H H 51 7.870 8.004 -0.134 1 1 535 . 12 1 1 A 51 51 SER HA H 51 4.203 4.628 -0.425 1 1 538 . 12 1 1 A 51 51 SER C C 51 177.413 174.397 3.016 1 1 539 . 12 1 1 A 51 51 SER CA C 51 61.003 57.758 3.245 1 1 540 . 12 1 1 A 51 51 SER CB C 51 62.711 63.916 -1.205 1 1 541 . 12 1 1 A 51 51 SER N N 51 113.635 115.060 -1.425 1 1 542 . 12 1 1 A 52 52 ARG H H 52 8.386 7.807 0.579 1 1 543 . 12 1 1 A 52 52 ARG HA H 52 3.816 4.514 -0.698 1 1 551 . 12 1 1 A 52 52 ARG C C 52 178.788 175.180 3.608 1 1 552 . 12 1 1 A 52 52 ARG CA C 52 58.343 56.808 1.535 1 1 553 . 12 1 1 A 52 52 ARG CB C 52 30.053 32.933 -2.880 1 1 556 . 12 1 1 A 52 52 ARG N N 52 120.787 121.206 -0.419 1 1 558 . 12 1 1 A 53 53 TYR H H 53 7.428 7.647 -0.219 1 1 559 . 12 1 1 A 53 53 TYR HA H 53 4.667 4.727 -0.060 1 1 562 . 12 1 1 A 53 53 TYR C C 53 174.743 175.066 -0.323 1 1 563 . 12 1 1 A 53 53 TYR CA C 53 57.922 57.494 0.428 1 1 564 . 12 1 1 A 53 53 TYR CB C 53 38.030 38.910 -0.880 1 1 565 . 12 1 1 A 53 53 TYR N N 53 115.269 119.399 -4.130 1 1 566 . 12 1 1 A 54 54 ARG H H 54 7.775 8.005 -0.230 1 1 567 . 12 1 1 A 54 54 ARG HA H 54 4.249 3.393 0.856 1 1 570 . 12 1 1 A 54 54 ARG C C 54 177.121 176.602 0.519 1 1 571 . 12 1 1 A 54 54 ARG CA C 54 58.720 58.560 0.160 1 1 572 . 12 1 1 A 54 54 ARG CB C 54 29.345 29.770 -0.425 1 1 573 . 12 1 1 A 54 54 ARG N N 54 120.518 121.424 -0.906 1 1 574 . 12 1 1 A 55 55 ARG H H 55 8.319 7.789 0.530 1 1 575 . 12 1 1 A 55 55 ARG HA H 55 4.249 4.209 0.040 1 1 577 . 12 1 1 A 55 55 ARG C C 55 177.395 175.911 1.484 1 1 578 . 12 1 1 A 55 55 ARG CA C 55 56.766 56.928 -0.162 1 1 579 . 12 1 1 A 55 55 ARG CB C 55 29.231 30.951 -1.720 1 1 580 . 12 1 1 A 55 55 ARG N N 55 119.094 121.041 -1.947 1 1 581 . 12 1 1 A 56 56 LYS H H 56 8.062 8.284 -0.222 1 1 582 . 12 1 1 A 56 56 LYS HA H 56 4.069 4.500 -0.431 1 1 588 . 12 1 1 A 56 56 LYS C C 56 177.177 176.480 0.697 1 1 589 . 12 1 1 A 56 56 LYS CA C 56 56.740 54.523 2.217 1 1 590 . 12 1 1 A 56 56 LYS CB C 56 31.291 35.255 -3.964 1 1 594 . 12 1 1 A 56 56 LYS N N 56 121.271 122.704 -1.433 1 1 595 . 12 1 1 A 57 57 GLY H H 57 8.138 8.675 -0.537 1 1 596 . 12 1 1 A 57 57 GLY HA2 H 57 4.055 3.650 0.405 1 1 597 . 12 1 1 A 57 57 GLY HA3 H 57 3.766 3.722 0.044 1 1 598 . 12 1 1 A 57 57 GLY C C 57 174.196 174.900 -0.704 1 1 599 . 12 1 1 A 57 57 GLY CA C 57 45.336 46.983 -1.647 1 1 600 . 12 1 1 A 57 57 GLY N N 57 108.747 111.103 -2.356 1 1 601 . 12 1 1 A 58 58 ASP H H 58 7.937 8.207 -0.270 1 1 602 . 12 1 1 A 58 58 ASP HA H 58 4.571 4.285 0.286 1 1 604 . 12 1 1 A 58 58 ASP CA C 58 54.548 55.341 -0.793 1 1 605 . 12 1 1 A 58 58 ASP CB C 58 40.254 40.451 -0.197 1 1 606 . 12 1 1 A 58 58 ASP N N 58 121.456 119.238 2.218 1 1 607 . 12 1 1 A 59 59 ALA H H 59 8.150 7.837 0.313 1 1 608 . 12 1 1 A 59 59 ALA HA H 59 4.178 4.132 0.046 1 1 612 . 12 1 1 A 59 59 ALA C C 59 177.927 178.486 -0.559 1 1 613 . 12 1 1 A 59 59 ALA CA C 59 52.751 55.426 -2.675 1 1 614 . 12 1 1 A 59 59 ALA CB C 59 18.062 19.157 -1.095 1 1 615 . 12 1 1 A 59 59 ALA N N 59 123.316 121.495 1.821 1 1 616 . 12 1 1 A 60 60 GLY H H 60 8.190 7.597 0.593 1 1 617 . 12 1 1 A 60 60 GLY HA2 H 60 3.954 4.121 -0.167 1 1 618 . 12 1 1 A 60 60 GLY HA3 H 60 3.962 4.126 -0.164 1 1 619 . 12 1 1 A 60 60 GLY C C 60 174.572 174.337 0.235 1 1 620 . 12 1 1 A 60 60 GLY CA C 60 45.301 45.788 -0.487 1 1 621 . 12 1 1 A 60 60 GLY N N 60 107.588 102.779 4.809 1 1 622 . 12 1 1 A 61 61 GLY H H 61 8.014 8.054 -0.040 1 1 623 . 12 1 1 A 61 61 GLY HA2 H 61 4.068 4.010 0.058 1 1 624 . 12 1 1 A 61 61 GLY HA3 H 61 3.882 4.016 -0.134 1 1 625 . 12 1 1 A 61 61 GLY C C 61 173.560 174.759 -1.199 1 1 626 . 12 1 1 A 61 61 GLY CA C 61 44.784 45.403 -0.619 1 1 627 . 12 1 1 A 61 61 GLY N N 61 108.839 108.443 0.396 1 1 628 . 12 1 1 A 62 62 LEU H H 62 8.038 8.424 -0.386 1 1 629 . 12 1 1 A 62 62 LEU HA H 62 4.528 4.127 0.401 1 1 636 . 12 1 1 A 62 62 LEU C C 62 177.058 177.413 -0.355 1 1 637 . 12 1 1 A 62 62 LEU CA C 62 54.038 55.553 -1.515 1 1 638 . 12 1 1 A 62 62 LEU CB C 62 42.254 40.805 1.449 1 1 641 . 12 1 1 A 62 62 LEU N N 62 122.191 120.764 1.427 1 1 642 . 12 1 1 A 63 63 LYS H H 63 9.378 8.242 1.136 1 1 643 . 12 1 1 A 63 63 LYS HA H 63 4.223 4.273 -0.050 1 1 647 . 12 1 1 A 63 63 LYS C C 63 179.928 178.049 1.879 1 1 648 . 12 1 1 A 63 63 LYS CA C 63 58.665 57.982 0.683 1 1 649 . 12 1 1 A 63 63 LYS CB C 63 31.663 32.764 -1.101 1 1 651 . 12 1 1 A 63 63 LYS N N 63 129.582 123.489 6.093 1 1 652 . 12 1 1 A 64 64 SER H H 64 10.250 8.173 2.077 1 1 653 . 12 1 1 A 64 64 SER HA H 64 4.169 4.215 -0.046 1 1 656 . 12 1 1 A 64 64 SER C C 64 175.569 176.092 -0.523 1 1 657 . 12 1 1 A 64 64 SER CA C 64 61.010 62.457 -1.447 1 1 658 . 12 1 1 A 64 64 SER N N 64 117.647 117.761 -0.114 1 1 659 . 12 1 1 A 65 65 PHE H H 65 7.035 7.631 -0.596 1 1 660 . 12 1 1 A 65 65 PHE HA H 65 4.444 4.284 0.160 1 1 663 . 12 1 1 A 65 65 PHE C C 65 176.884 177.028 -0.144 1 1 664 . 12 1 1 A 65 65 PHE CA C 65 61.911 61.249 0.662 1 1 665 . 12 1 1 A 65 65 PHE CB C 65 38.861 39.014 -0.153 1 1 666 . 12 1 1 A 65 65 PHE N N 65 123.056 122.970 0.086 1 1 667 . 12 1 1 A 66 66 THR H H 66 8.475 8.254 0.221 1 1 668 . 12 1 1 A 66 66 THR HA H 66 3.932 3.247 0.685 1 1 673 . 12 1 1 A 66 66 THR C C 66 176.884 176.759 0.125 1 1 674 . 12 1 1 A 66 66 THR CA C 66 66.236 66.264 -0.028 1 1 675 . 12 1 1 A 66 66 THR CB C 66 67.993 68.531 -0.538 1 1 677 . 12 1 1 A 66 66 THR N N 66 115.996 115.036 0.960 1 1 678 . 12 1 1 A 67 67 THR H H 67 8.100 7.429 0.671 1 1 679 . 12 1 1 A 67 67 THR HA H 67 3.979 3.821 0.158 1 1 684 . 12 1 1 A 67 67 THR CA C 67 66.516 66.144 0.372 1 1 685 . 12 1 1 A 67 67 THR CB C 67 68.188 68.134 0.054 1 1 687 . 12 1 1 A 67 67 THR N N 67 120.365 115.577 4.788 1 1 688 . 12 1 1 A 68 68 MET H H 68 8.134 8.144 -0.010 1 1 689 . 12 1 1 A 68 68 MET HA H 68 4.429 4.027 0.402 1 1 697 . 12 1 1 A 68 68 MET C C 68 177.682 178.865 -1.183 1 1 698 . 12 1 1 A 68 68 MET CA C 68 56.239 59.184 -2.945 1 1 699 . 12 1 1 A 68 68 MET CB C 68 30.516 32.838 -2.322 1 1 702 . 12 1 1 A 68 68 MET N N 68 120.545 119.311 1.234 1 1 703 . 12 1 1 A 69 69 GLN H H 69 9.139 7.710 1.429 1 1 704 . 12 1 1 A 69 69 GLN HA H 69 3.694 4.098 -0.404 1 1 711 . 12 1 1 A 69 69 GLN C C 69 177.433 178.188 -0.755 1 1 712 . 12 1 1 A 69 69 GLN CA C 69 59.779 58.774 1.005 1 1 713 . 12 1 1 A 69 69 GLN CB C 69 28.547 28.440 0.107 1 1 715 . 12 1 1 A 69 69 GLN N N 69 120.358 119.161 1.197 1 1 717 . 12 1 1 A 70 70 THR H H 70 7.809 7.593 0.216 1 1 718 . 12 1 1 A 70 70 THR HA H 70 3.979 3.981 -0.002 1 1 723 . 12 1 1 A 70 70 THR C C 70 176.394 176.531 -0.137 1 1 724 . 12 1 1 A 70 70 THR CA C 70 66.028 66.331 -0.303 1 1 725 . 12 1 1 A 70 70 THR CB C 70 68.198 69.139 -0.941 1 1 727 . 12 1 1 A 70 70 THR N N 70 116.198 115.983 0.215 1 1 728 . 12 1 1 A 71 71 ALA H H 71 7.859 8.844 -0.985 1 1 729 . 12 1 1 A 71 71 ALA HA H 71 3.994 4.107 -0.113 1 1 733 . 12 1 1 A 71 71 ALA CA C 71 54.902 54.929 -0.027 1 1 734 . 12 1 1 A 71 71 ALA CB C 71 17.926 18.483 -0.557 1 1 735 . 12 1 1 A 71 71 ALA N N 71 126.667 124.179 2.488 1 1 736 . 12 1 1 A 72 72 LEU H H 72 9.261 8.908 0.353 1 1 737 . 12 1 1 A 72 72 LEU HA H 72 3.915 4.175 -0.260 1 1 743 . 12 1 1 A 72 72 LEU C C 72 179.219 178.585 0.634 1 1 744 . 12 1 1 A 72 72 LEU CA C 72 58.406 58.273 0.133 1 1 745 . 12 1 1 A 72 72 LEU CB C 72 38.744 41.605 -2.861 1 1 747 . 12 1 1 A 72 72 LEU N N 72 119.657 120.740 -1.083 1 1 748 . 12 1 1 A 73 73 ASN H H 73 8.542 8.316 0.226 1 1 749 . 12 1 1 A 73 73 ASN HA H 73 4.606 4.449 0.157 1 1 754 . 12 1 1 A 73 73 ASN CA C 73 55.711 57.028 -1.317 1 1 755 . 12 1 1 A 73 73 ASN CB C 73 37.398 39.464 -2.066 1 1 756 . 12 1 1 A 73 73 ASN N N 73 118.851 117.695 1.156 1 1 758 . 12 1 1 A 74 74 SER H H 74 7.849 7.986 -0.137 1 1 759 . 12 1 1 A 74 74 SER HA H 74 4.379 4.281 0.098 1 1 762 . 12 1 1 A 74 74 SER C C 74 175.881 177.228 -1.347 1 1 763 . 12 1 1 A 74 74 SER CA C 74 61.405 61.296 0.109 1 1 764 . 12 1 1 A 74 74 SER N N 74 118.042 114.076 3.966 1 1 765 . 12 1 1 A 75 75 LEU H H 75 8.084 9.067 -0.983 1 1 766 . 12 1 1 A 75 75 LEU HA H 75 4.181 4.107 0.074 1 1 773 . 12 1 1 A 75 75 LEU C C 75 176.899 178.288 -1.389 1 1 774 . 12 1 1 A 75 75 LEU CA C 75 56.746 58.684 -1.938 1 1 775 . 12 1 1 A 75 75 LEU CB C 75 41.896 42.028 -0.132 1 1 777 . 12 1 1 A 75 75 LEU N N 75 124.099 123.636 0.463 1 1 778 . 12 1 1 A 76 76 ALA H H 76 8.695 8.026 0.669 1 1 779 . 12 1 1 A 76 76 ALA HA H 76 4.134 4.200 -0.066 1 1 783 . 12 1 1 A 76 76 ALA C C 76 180.159 180.306 -0.147 1 1 784 . 12 1 1 A 76 76 ALA CA C 76 55.315 55.508 -0.193 1 1 785 . 12 1 1 A 76 76 ALA CB C 76 17.624 18.415 -0.791 1 1 786 . 12 1 1 A 76 76 ALA N N 76 121.934 120.314 1.620 1 1 787 . 12 1 1 A 77 77 GLY H H 77 8.198 8.454 -0.256 1 1 788 . 12 1 1 A 77 77 GLY HA2 H 77 3.917 3.718 0.199 1 1 789 . 12 1 1 A 77 77 GLY HA3 H 77 3.925 3.741 0.184 1 1 790 . 12 1 1 A 77 77 GLY C C 77 175.177 175.462 -0.285 1 1 791 . 12 1 1 A 77 77 GLY CA C 77 46.066 47.318 -1.252 1 1 792 . 12 1 1 A 77 77 GLY N N 77 105.613 105.874 -0.261 1 1 793 . 12 1 1 A 78 78 TYR H H 78 7.973 8.814 -0.841 1 1 794 . 12 1 1 A 78 78 TYR HA H 78 4.326 4.298 0.028 1 1 797 . 12 1 1 A 78 78 TYR C C 78 176.705 177.646 -0.941 1 1 798 . 12 1 1 A 78 78 TYR CA C 78 61.280 61.192 0.088 1 1 799 . 12 1 1 A 78 78 TYR CB C 78 37.737 39.068 -1.331 1 1 800 . 12 1 1 A 78 78 TYR N N 78 123.680 123.263 0.417 1 1 801 . 12 1 1 A 79 79 TYR H H 79 8.347 7.469 0.878 1 1 802 . 12 1 1 A 79 79 TYR HA H 79 4.750 3.473 1.277 1 1 805 . 12 1 1 A 79 79 TYR C C 79 178.135 176.310 1.825 1 1 806 . 12 1 1 A 79 79 TYR CA C 79 57.389 60.599 -3.210 1 1 807 . 12 1 1 A 79 79 TYR CB C 79 36.796 38.863 -2.067 1 1 808 . 12 1 1 A 79 79 TYR N N 79 119.870 120.629 -0.759 1 1 809 . 12 1 1 A 80 80 THR H H 80 8.180 7.195 0.985 1 1 810 . 12 1 1 A 80 80 THR HA H 80 4.208 4.440 -0.232 1 1 815 . 12 1 1 A 80 80 THR C C 80 175.302 174.030 1.272 1 1 816 . 12 1 1 A 80 80 THR CA C 80 64.276 60.395 3.881 1 1 817 . 12 1 1 A 80 80 THR CB C 80 69.098 68.485 0.613 1 1 819 . 12 1 1 A 80 80 THR N N 80 114.967 111.748 3.219 1 1 820 . 12 1 1 A 81 81 SER H H 81 8.027 7.965 0.062 1 1 821 . 12 1 1 A 81 81 SER HA H 81 4.214 4.456 -0.242 1 1 824 . 12 1 1 A 81 81 SER C C 81 174.305 173.451 0.854 1 1 825 . 12 1 1 A 81 81 SER CA C 81 60.578 58.927 1.651 1 1 826 . 12 1 1 A 81 81 SER CB C 81 63.385 65.699 -2.314 1 1 827 . 12 1 1 A 81 81 SER N N 81 116.664 120.598 -3.934 1 1 828 . 12 1 1 A 82 82 TYR H H 82 8.396 7.935 0.461 1 1 829 . 12 1 1 A 82 82 TYR HA H 82 4.612 4.757 -0.145 1 1 832 . 12 1 1 A 82 82 TYR C C 82 176.069 176.508 -0.439 1 1 833 . 12 1 1 A 82 82 TYR CA C 82 57.676 59.245 -1.569 1 1 834 . 12 1 1 A 82 82 TYR CB C 82 38.160 39.940 -1.780 1 1 835 . 12 1 1 A 82 82 TYR N N 82 119.325 117.756 1.569 1 1 836 . 12 1 1 A 83 83 GLY H H 83 7.982 8.182 -0.200 1 1 837 . 12 1 1 A 83 83 GLY HA2 H 83 4.021 3.858 0.163 1 1 838 . 12 1 1 A 83 83 GLY HA3 H 83 3.877 3.960 -0.083 1 1 839 . 12 1 1 A 83 83 GLY C C 83 178.820 174.234 4.586 1 1 840 . 12 1 1 A 83 83 GLY CA C 83 46.170 45.817 0.353 1 1 841 . 12 1 1 A 83 83 GLY N N 83 111.287 106.384 4.903 1 1 842 . 12 1 1 A 84 84 ALA H H 84 8.505 8.326 0.179 1 1 843 . 12 1 1 A 84 84 ALA HA H 84 4.619 4.624 -0.005 1 1 847 . 12 1 1 A 84 84 ALA C C 84 176.933 175.929 1.004 1 1 848 . 12 1 1 A 84 84 ALA CA C 84 51.514 50.800 0.714 1 1 849 . 12 1 1 A 84 84 ALA CB C 84 18.109 19.331 -1.222 1 1 850 . 12 1 1 A 84 84 ALA N N 84 126.408 125.960 0.448 1 1 851 . 12 1 1 A 85 85 ARG H H 85 8.057 7.816 0.241 1 1 852 . 12 1 1 A 85 85 ARG HA H 85 4.696 4.851 -0.155 1 1 854 . 12 1 1 A 85 85 ARG CA C 85 53.887 52.922 0.965 1 1 855 . 12 1 1 A 85 85 ARG CB C 85 30.500 32.857 -2.357 1 1 856 . 12 1 1 A 85 85 ARG N N 85 123.060 118.120 4.940 1 1 857 . 12 1 1 A 86 86 PRO HA H 86 4.426 4.341 0.085 1 1 862 . 12 1 1 A 86 86 PRO CA C 86 62.541 63.147 -0.606 1 1 863 . 12 1 1 A 86 86 PRO CB C 86 31.477 31.663 -0.186 1 1 864 . 12 1 1 A 87 87 ILE H H 87 8.449 8.230 0.219 1 1 865 . 12 1 1 A 87 87 ILE HA H 87 3.821 3.938 -0.117 1 1 875 . 12 1 1 A 87 87 ILE CA C 87 58.300 60.191 -1.891 1 1 876 . 12 1 1 A 87 87 ILE CB C 87 37.630 38.045 -0.415 1 1 880 . 12 1 1 A 87 87 ILE N N 87 125.558 123.932 1.626 1 1 881 . 12 1 1 A 88 88 PRO HA H 88 4.425 4.407 0.018 1 1 884 . 12 1 1 A 88 88 PRO C C 88 177.001 177.293 -0.292 1 1 885 . 12 1 1 A 88 88 PRO CA C 88 62.298 62.726 -0.428 1 1 886 . 12 1 1 A 88 88 PRO CB C 88 32.070 32.659 -0.589 1 1 887 . 12 1 1 A 89 89 GLU H H 89 8.861 8.557 0.304 1 1 888 . 12 1 1 A 89 89 GLU HA H 89 3.871 3.945 -0.074 1 1 891 . 12 1 1 A 89 89 GLU C C 89 177.756 178.404 -0.648 1 1 892 . 12 1 1 A 89 89 GLU CA C 89 59.711 59.978 -0.267 1 1 893 . 12 1 1 A 89 89 GLU CB C 89 29.119 29.509 -0.390 1 1 894 . 12 1 1 A 89 89 GLU N N 89 125.518 121.876 3.642 1 1 895 . 12 1 1 A 90 90 LYS H H 90 8.827 7.720 1.107 1 1 896 . 12 1 1 A 90 90 LYS HA H 90 3.969 4.043 -0.074 1 1 899 . 12 1 1 A 90 90 LYS C C 90 178.672 179.095 -0.423 1 1 900 . 12 1 1 A 90 90 LYS CA C 90 59.423 59.151 0.272 1 1 901 . 12 1 1 A 90 90 LYS CB C 90 31.820 32.536 -0.716 1 1 902 . 12 1 1 A 90 90 LYS N N 90 117.281 119.489 -2.208 1 1 903 . 12 1 1 A 91 91 LEU H H 91 6.857 8.050 -1.193 1 1 904 . 12 1 1 A 91 91 LEU HA H 91 4.212 3.926 0.286 1 1 911 . 12 1 1 A 91 91 LEU CA C 91 56.390 57.711 -1.321 1 1 912 . 12 1 1 A 91 91 LEU CB C 91 40.627 41.405 -0.778 1 1 915 . 12 1 1 A 91 91 LEU N N 91 120.818 119.926 0.892 1 1 916 . 12 1 1 A 92 92 LYS H H 92 8.156 8.998 -0.842 1 1 917 . 12 1 1 A 92 92 LYS HA H 92 3.558 3.754 -0.196 1 1 925 . 12 1 1 A 92 92 LYS C C 92 177.480 178.310 -0.830 1 1 926 . 12 1 1 A 92 92 LYS CA C 92 60.613 59.749 0.864 1 1 927 . 12 1 1 A 92 92 LYS CB C 92 31.812 32.570 -0.758 1 1 931 . 12 1 1 A 92 92 LYS N N 92 120.663 117.821 2.842 1 1 932 . 12 1 1 A 93 93 LYS H H 93 8.156 9.034 -0.878 1 1 933 . 12 1 1 A 93 93 LYS HA H 93 4.032 3.868 0.164 1 1 936 . 12 1 1 A 93 93 LYS C C 93 178.757 178.490 0.267 1 1 937 . 12 1 1 A 93 93 LYS CA C 93 58.546 59.672 -1.126 1 1 938 . 12 1 1 A 93 93 LYS CB C 93 31.726 32.598 -0.872 1 1 939 . 12 1 1 A 93 93 LYS N N 93 116.478 118.662 -2.184 1 1 940 . 12 1 1 A 94 94 ARG H H 94 7.287 7.777 -0.490 1 1 941 . 12 1 1 A 94 94 ARG HA H 94 4.032 3.994 0.038 1 1 948 . 12 1 1 A 94 94 ARG C C 94 177.872 178.747 -0.875 1 1 949 . 12 1 1 A 94 94 ARG CA C 94 58.639 58.904 -0.265 1 1 950 . 12 1 1 A 94 94 ARG CB C 94 29.490 29.831 -0.341 1 1 953 . 12 1 1 A 94 94 ARG N N 94 120.980 119.132 1.848 1 1 955 . 12 1 1 A 95 95 LEU H H 95 8.365 8.890 -0.525 1 1 956 . 12 1 1 A 95 95 LEU HA H 95 3.597 3.178 0.419 1 1 960 . 12 1 1 A 95 95 LEU C C 95 177.342 178.307 -0.965 1 1 961 . 12 1 1 A 95 95 LEU CA C 95 57.009 57.207 -0.198 1 1 962 . 12 1 1 A 95 95 LEU CB C 95 40.718 40.513 0.205 1 1 964 . 12 1 1 A 95 95 LEU N N 95 119.611 119.695 -0.084 1 1 965 . 12 1 1 A 96 96 GLN H H 96 8.126 9.049 -0.923 1 1 966 . 12 1 1 A 96 96 GLN HA H 96 4.033 3.837 0.196 1 1 972 . 12 1 1 A 96 96 GLN C C 96 179.502 178.075 1.427 1 1 973 . 12 1 1 A 96 96 GLN CA C 96 58.743 59.220 -0.477 1 1 974 . 12 1 1 A 96 96 GLN CB C 96 27.315 27.986 -0.671 1 1 976 . 12 1 1 A 96 96 GLN N N 96 115.986 117.887 -1.901 1 1 978 . 12 1 1 A 97 97 LEU H H 97 7.574 8.817 -1.243 1 1 979 . 12 1 1 A 97 97 LEU HA H 97 4.176 4.143 0.033 1 1 983 . 12 1 1 A 97 97 LEU CA C 97 57.816 57.552 0.264 1 1 984 . 12 1 1 A 97 97 LEU CB C 97 41.107 41.473 -0.366 1 1 985 . 12 1 1 A 97 97 LEU N N 97 121.721 121.013 0.708 1 1 986 . 12 1 1 A 98 98 GLU H H 98 8.180 8.956 -0.776 1 1 987 . 12 1 1 A 98 98 GLU HA H 98 3.970 4.048 -0.078 1 1 989 . 12 1 1 A 98 98 GLU C C 98 178.852 179.322 -0.470 1 1 990 . 12 1 1 A 98 98 GLU CA C 98 59.074 59.180 -0.106 1 1 991 . 12 1 1 A 98 98 GLU CB C 98 28.376 29.208 -0.832 1 1 992 . 12 1 1 A 98 98 GLU N N 98 122.418 119.034 3.384 1 1 993 . 12 1 1 A 99 99 PHE H H 99 8.995 9.257 -0.262 1 1 994 . 12 1 1 A 99 99 PHE HA H 99 4.560 4.315 0.245 1 1 997 . 12 1 1 A 99 99 PHE C C 99 178.050 178.362 -0.312 1 1 998 . 12 1 1 A 99 99 PHE CA C 99 57.595 60.661 -3.066 1 1 999 . 12 1 1 A 99 99 PHE CB C 99 36.788 39.072 -2.284 1 1 1000 . 12 1 1 A 99 99 PHE N N 99 118.943 118.985 -0.042 1 1 1001 . 12 1 1 A 100 100 THR H H 100 7.985 9.389 -1.404 1 1 1002 . 12 1 1 A 100 100 THR HA H 100 4.097 4.181 -0.084 1 1 1007 . 12 1 1 A 100 100 THR CA C 100 66.567 66.514 0.053 1 1 1008 . 12 1 1 A 100 100 THR CB C 100 68.200 68.407 -0.207 1 1 1010 . 12 1 1 A 100 100 THR N N 100 117.633 115.337 2.296 1 1 1011 . 12 1 1 A 101 101 GLN H H 101 8.160 8.639 -0.479 1 1 1012 . 12 1 1 A 101 101 GLN HA H 101 4.017 4.059 -0.042 1 1 1018 . 12 1 1 A 101 101 GLN C C 101 179.034 178.876 0.158 1 1 1019 . 12 1 1 A 101 101 GLN CA C 101 58.649 58.676 -0.027 1 1 1020 . 12 1 1 A 101 101 GLN CB C 101 27.541 28.559 -1.018 1 1 1022 . 12 1 1 A 101 101 GLN N N 101 122.138 119.448 2.690 1 1 1024 . 12 1 1 A 102 102 ALA H H 102 8.768 9.213 -0.445 1 1 1025 . 12 1 1 A 102 102 ALA HA H 102 4.036 4.041 -0.005 1 1 1029 . 12 1 1 A 102 102 ALA C C 102 178.466 179.560 -1.094 1 1 1030 . 12 1 1 A 102 102 ALA CA C 102 55.525 54.983 0.542 1 1 1031 . 12 1 1 A 102 102 ALA CB C 102 18.046 18.221 -0.175 1 1 1032 . 12 1 1 A 102 102 ALA N N 102 124.541 122.062 2.479 1 1 1033 . 12 1 1 A 103 103 GLU H H 103 8.552 9.221 -0.669 1 1 1034 . 12 1 1 A 103 103 GLU HA H 103 3.680 4.036 -0.356 1 1 1039 . 12 1 1 A 103 103 GLU C C 103 178.447 178.594 -0.147 1 1 1040 . 12 1 1 A 103 103 GLU CA C 103 59.802 59.308 0.494 1 1 1041 . 12 1 1 A 103 103 GLU CB C 103 29.672 29.589 0.083 1 1 1043 . 12 1 1 A 103 103 GLU N N 103 120.048 118.383 1.665 1 1 1044 . 12 1 1 A 104 104 ARG H H 104 8.242 9.280 -1.038 1 1 1045 . 12 1 1 A 104 104 ARG HA H 104 4.214 4.131 0.083 1 1 1048 . 12 1 1 A 104 104 ARG C C 104 178.958 178.476 0.482 1 1 1049 . 12 1 1 A 104 104 ARG CA C 104 58.135 59.150 -1.015 1 1 1050 . 12 1 1 A 104 104 ARG CB C 104 29.742 29.867 -0.125 1 1 1051 . 12 1 1 A 104 104 ARG N N 104 119.448 120.532 -1.084 1 1 1052 . 12 1 1 A 105 105 SER H H 105 8.087 9.266 -1.179 1 1 1053 . 12 1 1 A 105 105 SER HA H 105 4.290 4.158 0.132 1 1 1056 . 12 1 1 A 105 105 SER CA C 105 61.917 61.299 0.618 1 1 1057 . 12 1 1 A 105 105 SER N N 105 117.329 115.023 2.306 1 1 1058 . 12 1 1 A 106 106 ILE H H 106 8.403 7.683 0.720 1 1 1059 . 12 1 1 A 106 106 ILE HA H 106 4.113 3.758 0.355 1 1 1069 . 12 1 1 A 106 106 ILE CA C 106 61.487 64.699 -3.212 1 1 1070 . 12 1 1 A 106 106 ILE CB C 106 35.600 37.359 -1.759 1 1 1074 . 12 1 1 A 106 106 ILE N N 106 124.394 121.618 2.776 1 1 1075 . 12 1 1 A 107 107 GLU H H 107 8.187 7.758 0.429 1 1 1076 . 12 1 1 A 107 107 GLU HA H 107 4.126 4.213 -0.087 1 1 1079 . 12 1 1 A 107 107 GLU C C 107 177.494 175.864 1.630 1 1 1080 . 12 1 1 A 107 107 GLU CA C 107 58.849 58.507 0.342 1 1 1081 . 12 1 1 A 107 107 GLU CB C 107 29.052 30.269 -1.217 1 1 1082 . 12 1 1 A 107 107 GLU N N 107 123.223 122.575 0.648 1 1 1083 . 12 1 1 A 108 108 ARG H H 108 7.651 7.985 -0.334 1 1 1084 . 12 1 1 A 108 108 ARG HA H 108 4.431 3.904 0.527 1 1 1090 . 12 1 1 A 108 108 ARG C C 108 175.927 176.027 -0.100 1 1 1091 . 12 1 1 A 108 108 ARG CA C 108 55.584 57.160 -1.576 1 1 1092 . 12 1 1 A 108 108 ARG CB C 108 30.806 27.232 3.574 1 1 1094 . 12 1 1 A 108 108 ARG N N 108 117.394 116.225 1.169 1 1 1095 . 12 1 1 A 109 109 GLY H H 109 8.190 7.674 0.516 1 1 1096 . 12 1 1 A 109 109 GLY HA2 H 109 4.141 4.018 0.123 1 1 1097 . 12 1 1 A 109 109 GLY HA3 H 109 4.060 4.019 0.041 1 1 1098 . 12 1 1 A 109 109 GLY C C 109 174.031 174.815 -0.784 1 1 1099 . 12 1 1 A 109 109 GLY CA C 109 45.823 45.267 0.556 1 1 1100 . 12 1 1 A 109 109 GLY N N 109 110.712 104.506 6.206 1 1 7 . 13 1 1 A 2 2 ASP H H 2 8.644 8.071 0.573 1 1 8 . 13 1 1 A 2 2 ASP HA H 2 4.373 4.654 -0.281 1 1 11 . 13 1 1 A 2 2 ASP C C 2 178.938 176.221 2.717 1 1 12 . 13 1 1 A 2 2 ASP CA C 2 53.794 56.090 -2.296 1 1 13 . 13 1 1 A 2 2 ASP CB C 2 41.025 42.088 -1.063 1 1 14 . 13 1 1 A 2 2 ASP N N 2 122.106 118.210 3.896 1 1 15 . 13 1 1 A 3 3 SER H H 3 8.508 7.745 0.763 1 1 16 . 13 1 1 A 3 3 SER HA H 3 4.331 4.693 -0.362 1 1 19 . 13 1 1 A 3 3 SER C C 3 174.777 174.609 0.168 1 1 20 . 13 1 1 A 3 3 SER CA C 3 58.141 57.122 1.019 1 1 21 . 13 1 1 A 3 3 SER CB C 3 63.359 65.312 -1.953 1 1 22 . 13 1 1 A 3 3 SER N N 3 117.604 111.678 5.926 1 1 23 . 13 1 1 A 4 4 GLY H H 4 8.603 8.476 0.127 1 1 24 . 13 1 1 A 4 4 GLY HA2 H 4 4.130 4.424 -0.294 1 1 25 . 13 1 1 A 4 4 GLY HA3 H 4 4.076 4.425 -0.349 1 1 26 . 13 1 1 A 4 4 GLY C C 4 174.283 172.388 1.895 1 1 27 . 13 1 1 A 4 4 GLY CA C 4 45.054 45.194 -0.140 1 1 28 . 13 1 1 A 4 4 GLY N N 4 111.842 108.349 3.493 1 1 29 . 13 1 1 A 5 5 THR H H 5 8.140 8.413 -0.273 1 1 30 . 13 1 1 A 5 5 THR HA H 5 4.371 4.996 -0.625 1 1 35 . 13 1 1 A 5 5 THR C C 5 174.827 173.528 1.299 1 1 36 . 13 1 1 A 5 5 THR CA C 5 61.515 60.295 1.220 1 1 37 . 13 1 1 A 5 5 THR CB C 5 69.683 71.465 -1.782 1 1 39 . 13 1 1 A 5 5 THR N N 5 112.188 111.903 0.285 1 1 40 . 13 1 1 A 6 6 GLY H H 6 8.425 8.664 -0.239 1 1 41 . 13 1 1 A 6 6 GLY HA2 H 6 4.109 4.028 0.081 1 1 42 . 13 1 1 A 6 6 GLY HA3 H 6 3.875 4.028 -0.153 1 1 43 . 13 1 1 A 6 6 GLY C C 6 173.670 174.231 -0.561 1 1 44 . 13 1 1 A 6 6 GLY CA C 6 44.466 44.912 -0.446 1 1 45 . 13 1 1 A 6 6 GLY N N 6 110.955 110.024 0.931 1 1 46 . 13 1 1 A 7 7 LEU H H 7 7.993 7.807 0.186 1 1 47 . 13 1 1 A 7 7 LEU HA H 7 4.503 4.567 -0.064 1 1 53 . 13 1 1 A 7 7 LEU C C 7 177.284 176.023 1.261 1 1 54 . 13 1 1 A 7 7 LEU CA C 7 54.741 53.297 1.444 1 1 55 . 13 1 1 A 7 7 LEU CB C 7 39.284 42.613 -3.329 1 1 58 . 13 1 1 A 7 7 LEU N N 7 121.268 120.755 0.513 1 1 59 . 13 1 1 A 8 8 THR H H 8 10.385 7.880 2.505 1 1 60 . 13 1 1 A 8 8 THR HA H 8 4.521 3.934 0.587 1 1 65 . 13 1 1 A 8 8 THR C C 8 176.965 173.824 3.141 1 1 66 . 13 1 1 A 8 8 THR CA C 8 64.563 60.853 3.710 1 1 67 . 13 1 1 A 8 8 THR CB C 8 71.946 69.672 2.274 1 1 69 . 13 1 1 A 8 8 THR N N 8 113.472 114.872 -1.400 1 1 70 . 13 1 1 A 9 9 GLY H H 9 9.733 6.483 3.250 1 1 71 . 13 1 1 A 9 9 GLY HA2 H 9 4.391 3.712 0.679 1 1 72 . 13 1 1 A 9 9 GLY HA3 H 9 3.805 3.827 -0.022 1 1 73 . 13 1 1 A 9 9 GLY C C 9 173.133 173.723 -0.590 1 1 74 . 13 1 1 A 9 9 GLY CA C 9 45.453 46.637 -1.184 1 1 75 . 13 1 1 A 9 9 GLY N N 9 114.948 107.753 7.195 1 1 76 . 13 1 1 A 10 10 ASN H H 10 7.664 7.709 -0.045 1 1 77 . 13 1 1 A 10 10 ASN HA H 10 4.906 4.733 0.173 1 1 82 . 13 1 1 A 10 10 ASN C C 10 173.098 173.887 -0.789 1 1 83 . 13 1 1 A 10 10 ASN CA C 10 51.504 51.285 0.219 1 1 84 . 13 1 1 A 10 10 ASN CB C 10 38.449 41.104 -2.655 1 1 85 . 13 1 1 A 10 10 ASN N N 10 120.991 118.171 2.820 1 1 87 . 13 1 1 A 11 11 TYR H H 11 8.892 8.203 0.689 1 1 88 . 13 1 1 A 11 11 TYR HA H 11 3.767 4.810 -1.043 1 1 91 . 13 1 1 A 11 11 TYR C C 11 177.871 177.245 0.626 1 1 92 . 13 1 1 A 11 11 TYR CA C 11 61.897 57.905 3.992 1 1 93 . 13 1 1 A 11 11 TYR CB C 11 38.099 39.218 -1.119 1 1 94 . 13 1 1 A 11 11 TYR N N 11 128.653 119.348 9.305 1 1 95 . 13 1 1 A 12 12 SER H H 12 8.729 8.862 -0.133 1 1 96 . 13 1 1 A 12 12 SER HA H 12 3.747 4.328 -0.581 1 1 99 . 13 1 1 A 12 12 SER C C 12 174.675 177.079 -2.404 1 1 100 . 13 1 1 A 12 12 SER CA C 12 62.371 61.549 0.822 1 1 101 . 13 1 1 A 12 12 SER CB C 12 61.600 62.739 -1.139 1 1 102 . 13 1 1 A 12 12 SER N N 12 119.446 116.408 3.038 1 1 103 . 13 1 1 A 13 13 GLN H H 13 7.645 8.213 -0.568 1 1 104 . 13 1 1 A 13 13 GLN HA H 13 3.955 3.992 -0.037 1 1 110 . 13 1 1 A 13 13 GLN C C 13 178.400 177.988 0.412 1 1 111 . 13 1 1 A 13 13 GLN CA C 13 58.083 58.990 -0.907 1 1 112 . 13 1 1 A 13 13 GLN CB C 13 28.328 28.393 -0.065 1 1 114 . 13 1 1 A 13 13 GLN N N 13 121.234 121.703 -0.469 1 1 116 . 13 1 1 A 14 14 ASP H H 14 9.314 8.008 1.306 1 1 117 . 13 1 1 A 14 14 ASP HA H 14 4.513 4.368 0.145 1 1 120 . 13 1 1 A 14 14 ASP C C 14 177.320 178.977 -1.657 1 1 121 . 13 1 1 A 14 14 ASP CA C 14 56.778 56.877 -0.099 1 1 122 . 13 1 1 A 14 14 ASP CB C 14 40.380 40.688 -0.308 1 1 123 . 13 1 1 A 14 14 ASP N N 14 120.095 120.128 -0.033 1 1 124 . 13 1 1 A 15 15 THR H H 15 8.283 8.810 -0.527 1 1 125 . 13 1 1 A 15 15 THR HA H 15 3.637 4.072 -0.435 1 1 130 . 13 1 1 A 15 15 THR C C 15 174.455 177.387 -2.932 1 1 131 . 13 1 1 A 15 15 THR CA C 15 67.657 67.460 0.197 1 1 132 . 13 1 1 A 15 15 THR CB C 15 67.465 68.756 -1.291 1 1 134 . 13 1 1 A 15 15 THR N N 15 117.657 116.660 0.997 1 1 135 . 13 1 1 A 16 16 LEU H H 16 7.452 8.255 -0.803 1 1 136 . 13 1 1 A 16 16 LEU HA H 16 3.919 4.029 -0.110 1 1 140 . 13 1 1 A 16 16 LEU C C 16 179.666 178.964 0.702 1 1 141 . 13 1 1 A 16 16 LEU CA C 16 57.864 58.050 -0.186 1 1 142 . 13 1 1 A 16 16 LEU CB C 16 39.811 41.143 -1.332 1 1 144 . 13 1 1 A 16 16 LEU N N 16 120.034 118.021 2.013 1 1 145 . 13 1 1 A 17 17 THR H H 17 8.708 7.889 0.819 1 1 146 . 13 1 1 A 17 17 THR HA H 17 3.893 3.957 -0.064 1 1 151 . 13 1 1 A 17 17 THR C C 17 179.666 176.343 3.323 1 1 152 . 13 1 1 A 17 17 THR CA C 17 66.152 66.868 -0.716 1 1 153 . 13 1 1 A 17 17 THR CB C 17 67.921 68.916 -0.995 1 1 155 . 13 1 1 A 17 17 THR N N 17 121.382 115.566 5.816 1 1 156 . 13 1 1 A 18 18 VAL H H 18 8.194 8.157 0.037 1 1 157 . 13 1 1 A 18 18 VAL HA H 18 3.705 3.697 0.008 1 1 165 . 13 1 1 A 18 18 VAL C C 18 177.242 178.079 -0.837 1 1 166 . 13 1 1 A 18 18 VAL CA C 18 65.886 66.968 -1.082 1 1 167 . 13 1 1 A 18 18 VAL CB C 18 30.729 31.777 -1.048 1 1 170 . 13 1 1 A 18 18 VAL N N 18 123.227 121.482 1.745 1 1 171 . 13 1 1 A 19 19 ILE H H 19 7.933 8.279 -0.346 1 1 172 . 13 1 1 A 19 19 ILE HA H 19 2.633 3.722 -1.089 1 1 182 . 13 1 1 A 19 19 ILE C C 19 176.276 178.020 -1.744 1 1 183 . 13 1 1 A 19 19 ILE CA C 19 66.137 65.770 0.367 1 1 184 . 13 1 1 A 19 19 ILE CB C 19 37.782 37.642 0.140 1 1 188 . 13 1 1 A 19 19 ILE N N 19 119.786 119.251 0.535 1 1 189 . 13 1 1 A 20 20 ALA H H 20 7.782 8.601 -0.819 1 1 190 . 13 1 1 A 20 20 ALA HA H 20 3.972 3.985 -0.013 1 1 194 . 13 1 1 A 20 20 ALA C C 20 180.867 179.674 1.193 1 1 195 . 13 1 1 A 20 20 ALA CA C 20 55.170 55.344 -0.174 1 1 196 . 13 1 1 A 20 20 ALA CB C 20 17.282 18.493 -1.211 1 1 197 . 13 1 1 A 20 20 ALA N N 20 121.793 122.493 -0.700 1 1 198 . 13 1 1 A 21 21 THR H H 21 8.573 7.743 0.830 1 1 199 . 13 1 1 A 21 21 THR HA H 21 3.902 3.908 -0.006 1 1 204 . 13 1 1 A 21 21 THR C C 21 176.720 176.878 -0.158 1 1 205 . 13 1 1 A 21 21 THR CA C 21 65.200 66.512 -1.312 1 1 206 . 13 1 1 A 21 21 THR CB C 21 68.092 67.973 0.119 1 1 208 . 13 1 1 A 21 21 THR N N 21 118.393 114.576 3.817 1 1 209 . 13 1 1 A 22 22 LEU H H 22 8.583 7.871 0.712 1 1 210 . 13 1 1 A 22 22 LEU HA H 22 4.065 3.804 0.261 1 1 217 . 13 1 1 A 22 22 LEU C C 22 178.284 178.541 -0.257 1 1 218 . 13 1 1 A 22 22 LEU CA C 22 57.005 57.541 -0.536 1 1 219 . 13 1 1 A 22 22 LEU CB C 22 40.209 41.645 -1.436 1 1 223 . 13 1 1 A 22 22 LEU N N 22 122.517 121.868 0.649 1 1 224 . 13 1 1 A 23 23 ARG H H 23 8.858 8.485 0.373 1 1 225 . 13 1 1 A 23 23 ARG HA H 23 3.873 2.628 1.245 1 1 230 . 13 1 1 A 23 23 ARG C C 23 178.503 178.571 -0.068 1 1 231 . 13 1 1 A 23 23 ARG CA C 23 60.362 59.057 1.305 1 1 232 . 13 1 1 A 23 23 ARG CB C 23 29.808 29.619 0.189 1 1 235 . 13 1 1 A 23 23 ARG N N 23 120.502 117.448 3.054 1 1 237 . 13 1 1 A 24 24 GLU H H 24 7.250 7.847 -0.597 1 1 238 . 13 1 1 A 24 24 GLU HA H 24 4.109 3.943 0.166 1 1 243 . 13 1 1 A 24 24 GLU CA C 24 58.312 58.708 -0.396 1 1 244 . 13 1 1 A 24 24 GLU CB C 24 29.024 28.662 0.362 1 1 246 . 13 1 1 A 24 24 GLU N N 24 117.221 120.155 -2.934 1 1 247 . 13 1 1 A 25 25 ALA H H 25 8.223 7.931 0.292 1 1 248 . 13 1 1 A 25 25 ALA HA H 25 3.983 4.009 -0.026 1 1 252 . 13 1 1 A 25 25 ALA C C 25 180.617 179.622 0.995 1 1 253 . 13 1 1 A 25 25 ALA CA C 25 55.203 55.120 0.083 1 1 254 . 13 1 1 A 25 25 ALA CB C 25 17.657 17.840 -0.183 1 1 255 . 13 1 1 A 25 25 ALA N N 25 121.823 123.066 -1.243 1 1 256 . 13 1 1 A 26 26 ILE H H 26 8.552 7.260 1.292 1 1 257 . 13 1 1 A 26 26 ILE HA H 26 4.144 3.768 0.376 1 1 267 . 13 1 1 A 26 26 ILE C C 26 175.586 175.899 -0.313 1 1 268 . 13 1 1 A 26 26 ILE CA C 26 63.790 62.957 0.833 1 1 269 . 13 1 1 A 26 26 ILE CB C 26 37.496 37.707 -0.211 1 1 273 . 13 1 1 A 26 26 ILE N N 26 112.838 119.103 -6.265 1 1 274 . 13 1 1 A 27 27 ASP H H 27 7.175 7.514 -0.339 1 1 275 . 13 1 1 A 27 27 ASP HA H 27 4.934 4.797 0.137 1 1 278 . 13 1 1 A 27 27 ASP C C 27 175.602 174.329 1.273 1 1 279 . 13 1 1 A 27 27 ASP CA C 27 53.160 53.102 0.058 1 1 280 . 13 1 1 A 27 27 ASP CB C 27 41.754 40.997 0.757 1 1 281 . 13 1 1 A 27 27 ASP N N 27 120.840 121.781 -0.941 1 1 282 . 13 1 1 A 28 28 LEU H H 28 7.136 7.457 -0.321 1 1 283 . 13 1 1 A 28 28 LEU HA H 28 4.510 4.544 -0.034 1 1 290 . 13 1 1 A 28 28 LEU CA C 28 53.379 53.117 0.262 1 1 291 . 13 1 1 A 28 28 LEU CB C 28 42.286 41.792 0.494 1 1 294 . 13 1 1 A 28 28 LEU N N 28 124.155 119.739 4.416 1 1 295 . 13 1 1 A 29 29 PRO HA H 29 4.552 4.520 0.032 1 1 301 . 13 1 1 A 29 29 PRO C C 29 177.414 176.811 0.603 1 1 302 . 13 1 1 A 29 29 PRO CA C 29 62.506 62.849 -0.343 1 1 303 . 13 1 1 A 29 29 PRO CB C 29 32.263 32.544 -0.281 1 1 305 . 13 1 1 A 30 30 GLN H H 30 8.935 8.603 0.332 1 1 306 . 13 1 1 A 30 30 GLN HA H 30 3.966 4.145 -0.179 1 1 311 . 13 1 1 A 30 30 GLN C C 30 175.595 176.612 -1.017 1 1 312 . 13 1 1 A 30 30 GLN CA C 30 58.036 58.003 0.033 1 1 313 . 13 1 1 A 30 30 GLN CB C 30 28.116 28.464 -0.348 1 1 315 . 13 1 1 A 30 30 GLN N N 30 122.119 121.461 0.658 1 1 317 . 13 1 1 A 31 31 ASP H H 31 8.353 8.005 0.348 1 1 318 . 13 1 1 A 31 31 ASP HA H 31 4.682 4.628 0.054 1 1 321 . 13 1 1 A 31 31 ASP C C 31 175.518 175.870 -0.352 1 1 322 . 13 1 1 A 31 31 ASP CA C 31 52.178 54.698 -2.520 1 1 323 . 13 1 1 A 31 31 ASP CB C 31 39.270 41.322 -2.052 1 1 324 . 13 1 1 A 31 31 ASP N N 31 115.909 118.655 -2.746 1 1 325 . 13 1 1 A 32 32 ALA H H 32 7.467 7.600 -0.133 1 1 326 . 13 1 1 A 32 32 ALA HA H 32 4.564 4.792 -0.228 1 1 330 . 13 1 1 A 32 32 ALA CA C 32 50.496 49.711 0.785 1 1 331 . 13 1 1 A 32 32 ALA CB C 32 17.852 19.030 -1.178 1 1 332 . 13 1 1 A 32 32 ALA N N 32 124.893 121.943 2.950 1 1 333 . 13 1 1 A 33 33 PRO HA H 33 4.494 4.471 0.023 1 1 339 . 13 1 1 A 33 33 PRO C C 33 176.278 176.065 0.213 1 1 340 . 13 1 1 A 33 33 PRO CA C 33 63.894 63.723 0.171 1 1 341 . 13 1 1 A 33 33 PRO CB C 33 31.354 31.044 0.310 1 1 344 . 13 1 1 A 34 34 ASN H H 34 8.577 8.816 -0.239 1 1 345 . 13 1 1 A 34 34 ASN HA H 34 5.041 5.216 -0.175 1 1 350 . 13 1 1 A 34 34 ASN C C 34 174.678 175.133 -0.455 1 1 351 . 13 1 1 A 34 34 ASN CA C 34 51.792 52.385 -0.593 1 1 352 . 13 1 1 A 34 34 ASN CB C 34 36.334 39.069 -2.735 1 1 353 . 13 1 1 A 34 34 ASN N N 34 115.598 118.205 -2.607 1 1 355 . 13 1 1 A 35 35 ARG H H 35 7.401 8.250 -0.849 1 1 356 . 13 1 1 A 35 35 ARG HA H 35 3.726 4.026 -0.300 1 1 363 . 13 1 1 A 35 35 ARG C C 35 176.887 178.109 -1.222 1 1 364 . 13 1 1 A 35 35 ARG CA C 35 60.063 59.161 0.902 1 1 365 . 13 1 1 A 35 35 ARG CB C 35 29.571 29.835 -0.264 1 1 368 . 13 1 1 A 35 35 ARG N N 35 119.690 119.320 0.370 1 1 370 . 13 1 1 A 36 36 GLN H H 36 8.780 7.866 0.914 1 1 371 . 13 1 1 A 36 36 GLN HA H 36 3.805 4.355 -0.550 1 1 377 . 13 1 1 A 36 36 GLN CA C 36 58.618 58.704 -0.086 1 1 378 . 13 1 1 A 36 36 GLN CB C 36 27.595 28.637 -1.042 1 1 380 . 13 1 1 A 36 36 GLN N N 36 119.100 119.174 -0.074 1 1 382 . 13 1 1 A 37 37 GLU H H 37 8.128 8.031 0.097 1 1 383 . 13 1 1 A 37 37 GLU HA H 37 4.137 4.136 0.001 1 1 387 . 13 1 1 A 37 37 GLU C C 37 179.222 179.023 0.199 1 1 388 . 13 1 1 A 37 37 GLU CA C 37 59.336 59.224 0.112 1 1 389 . 13 1 1 A 37 37 GLU CB C 37 28.781 29.245 -0.464 1 1 391 . 13 1 1 A 37 37 GLU N N 37 120.485 120.872 -0.387 1 1 392 . 13 1 1 A 38 38 VAL H H 38 8.127 8.283 -0.156 1 1 393 . 13 1 1 A 38 38 VAL HA H 38 3.708 3.637 0.071 1 1 401 . 13 1 1 A 38 38 VAL C C 38 178.246 178.237 0.009 1 1 402 . 13 1 1 A 38 38 VAL CA C 38 66.019 66.592 -0.573 1 1 403 . 13 1 1 A 38 38 VAL CB C 38 31.008 31.546 -0.538 1 1 406 . 13 1 1 A 38 38 VAL N N 38 121.937 119.800 2.137 1 1 407 . 13 1 1 A 39 39 GLN H H 39 8.324 7.729 0.595 1 1 408 . 13 1 1 A 39 39 GLN HA H 39 3.764 3.980 -0.216 1 1 415 . 13 1 1 A 39 39 GLN C C 39 177.642 177.744 -0.102 1 1 416 . 13 1 1 A 39 39 GLN CA C 39 59.019 58.928 0.091 1 1 417 . 13 1 1 A 39 39 GLN CB C 39 27.176 28.488 -1.312 1 1 419 . 13 1 1 A 39 39 GLN N N 39 120.203 120.053 0.150 1 1 421 . 13 1 1 A 40 40 ASP H H 40 8.699 8.080 0.619 1 1 422 . 13 1 1 A 40 40 ASP HA H 40 4.391 4.346 0.045 1 1 425 . 13 1 1 A 40 40 ASP C C 40 179.726 178.329 1.397 1 1 426 . 13 1 1 A 40 40 ASP CA C 40 57.267 57.488 -0.221 1 1 427 . 13 1 1 A 40 40 ASP CB C 40 39.458 41.595 -2.137 1 1 428 . 13 1 1 A 40 40 ASP N N 40 121.604 120.218 1.386 1 1 429 . 13 1 1 A 41 41 THR H H 41 8.449 8.029 0.420 1 1 430 . 13 1 1 A 41 41 THR HA H 41 3.981 3.949 0.032 1 1 435 . 13 1 1 A 41 41 THR CA C 41 66.254 66.356 -0.102 1 1 436 . 13 1 1 A 41 41 THR CB C 41 67.937 68.609 -0.672 1 1 437 . 13 1 1 A 41 41 THR N N 41 121.386 115.733 5.653 1 1 438 . 13 1 1 A 42 42 ALA H H 42 8.552 7.953 0.599 1 1 439 . 13 1 1 A 42 42 ALA HA H 42 3.876 3.949 -0.073 1 1 443 . 13 1 1 A 42 42 ALA C C 42 178.300 179.317 -1.017 1 1 444 . 13 1 1 A 42 42 ALA CA C 42 55.244 55.645 -0.401 1 1 445 . 13 1 1 A 42 42 ALA CB C 42 17.295 18.208 -0.913 1 1 446 . 13 1 1 A 42 42 ALA N N 42 126.245 123.220 3.025 1 1 447 . 13 1 1 A 43 43 ARG H H 43 8.553 8.116 0.437 1 1 448 . 13 1 1 A 43 43 ARG HA H 43 3.923 4.063 -0.140 1 1 451 . 13 1 1 A 43 43 ARG C C 43 178.522 179.087 -0.565 1 1 452 . 13 1 1 A 43 43 ARG CA C 43 59.680 59.643 0.037 1 1 453 . 13 1 1 A 43 43 ARG CB C 43 29.887 29.889 -0.002 1 1 454 . 13 1 1 A 43 43 ARG N N 43 117.705 119.090 -1.385 1 1 455 . 13 1 1 A 44 44 GLY H H 44 8.049 8.229 -0.180 1 1 456 . 13 1 1 A 44 44 GLY HA2 H 44 4.066 3.802 0.264 1 1 457 . 13 1 1 A 44 44 GLY HA3 H 44 3.972 3.807 0.165 1 1 458 . 13 1 1 A 44 44 GLY CA C 44 46.710 47.430 -0.720 1 1 459 . 13 1 1 A 44 44 GLY N N 44 106.443 106.858 -0.415 1 1 460 . 13 1 1 A 45 45 GLN H H 45 8.305 7.728 0.577 1 1 461 . 13 1 1 A 45 45 GLN HA H 45 4.204 4.066 0.138 1 1 466 . 13 1 1 A 45 45 GLN C C 45 177.942 178.804 -0.862 1 1 467 . 13 1 1 A 45 45 GLN CA C 45 59.930 58.529 1.401 1 1 468 . 13 1 1 A 45 45 GLN CB C 45 28.520 28.323 0.197 1 1 470 . 13 1 1 A 45 45 GLN N N 45 123.780 120.742 3.038 1 1 472 . 13 1 1 A 46 46 ILE H H 46 8.673 7.849 0.824 1 1 473 . 13 1 1 A 46 46 ILE HA H 46 3.594 3.731 -0.137 1 1 483 . 13 1 1 A 46 46 ILE C C 46 176.649 177.975 -1.326 1 1 484 . 13 1 1 A 46 46 ILE CA C 46 66.299 65.381 0.918 1 1 485 . 13 1 1 A 46 46 ILE CB C 46 37.762 37.436 0.326 1 1 489 . 13 1 1 A 46 46 ILE N N 46 120.050 121.335 -1.285 1 1 490 . 13 1 1 A 47 47 ASN H H 47 7.866 8.804 -0.938 1 1 491 . 13 1 1 A 47 47 ASN HA H 47 4.525 4.403 0.122 1 1 495 . 13 1 1 A 47 47 ASN C C 47 176.649 177.281 -0.632 1 1 496 . 13 1 1 A 47 47 ASN CA C 47 55.703 56.543 -0.840 1 1 497 . 13 1 1 A 47 47 ASN CB C 47 37.925 37.812 0.113 1 1 498 . 13 1 1 A 47 47 ASN N N 47 116.444 119.061 -2.617 1 1 500 . 13 1 1 A 48 48 ASP H H 48 8.185 7.818 0.367 1 1 501 . 13 1 1 A 48 48 ASP HA H 48 4.460 4.413 0.047 1 1 504 . 13 1 1 A 48 48 ASP C C 48 176.285 178.158 -1.873 1 1 505 . 13 1 1 A 48 48 ASP CA C 48 56.635 57.179 -0.544 1 1 506 . 13 1 1 A 48 48 ASP CB C 48 41.593 41.097 0.496 1 1 507 . 13 1 1 A 48 48 ASP N N 48 121.725 119.876 1.849 1 1 508 . 13 1 1 A 49 49 TYR H H 49 8.756 8.728 0.028 1 1 509 . 13 1 1 A 49 49 TYR HA H 49 3.892 4.277 -0.385 1 1 512 . 13 1 1 A 49 49 TYR C C 49 176.432 177.186 -0.754 1 1 513 . 13 1 1 A 49 49 TYR CA C 49 62.617 61.483 1.134 1 1 514 . 13 1 1 A 49 49 TYR CB C 49 39.188 38.471 0.717 1 1 515 . 13 1 1 A 49 49 TYR N N 49 121.005 120.655 0.350 1 1 516 . 13 1 1 A 50 50 ILE H H 50 8.481 8.800 -0.319 1 1 517 . 13 1 1 A 50 50 ILE HA H 50 3.901 4.208 -0.307 1 1 527 . 13 1 1 A 50 50 ILE C C 50 177.407 176.744 0.663 1 1 528 . 13 1 1 A 50 50 ILE CA C 50 63.893 63.595 0.298 1 1 529 . 13 1 1 A 50 50 ILE CB C 50 36.668 38.464 -1.796 1 1 533 . 13 1 1 A 50 50 ILE N N 50 117.237 119.410 -2.173 1 1 534 . 13 1 1 A 51 51 SER H H 51 7.870 7.817 0.053 1 1 535 . 13 1 1 A 51 51 SER HA H 51 4.203 4.822 -0.619 1 1 538 . 13 1 1 A 51 51 SER C C 51 177.413 174.114 3.299 1 1 539 . 13 1 1 A 51 51 SER CA C 51 61.003 57.161 3.842 1 1 540 . 13 1 1 A 51 51 SER CB C 51 62.711 63.241 -0.530 1 1 541 . 13 1 1 A 51 51 SER N N 51 113.635 115.169 -1.534 1 1 542 . 13 1 1 A 52 52 ARG H H 52 8.386 8.055 0.331 1 1 543 . 13 1 1 A 52 52 ARG HA H 52 3.816 4.389 -0.573 1 1 551 . 13 1 1 A 52 52 ARG C C 52 178.788 174.397 4.391 1 1 552 . 13 1 1 A 52 52 ARG CA C 52 58.343 57.232 1.111 1 1 553 . 13 1 1 A 52 52 ARG CB C 52 30.053 32.732 -2.679 1 1 556 . 13 1 1 A 52 52 ARG N N 52 120.787 121.746 -0.959 1 1 558 . 13 1 1 A 53 53 TYR H H 53 7.428 8.773 -1.345 1 1 559 . 13 1 1 A 53 53 TYR HA H 53 4.667 4.922 -0.255 1 1 562 . 13 1 1 A 53 53 TYR C C 53 174.743 174.471 0.272 1 1 563 . 13 1 1 A 53 53 TYR CA C 53 57.922 56.081 1.841 1 1 564 . 13 1 1 A 53 53 TYR CB C 53 38.030 37.654 0.376 1 1 565 . 13 1 1 A 53 53 TYR N N 53 115.269 117.614 -2.345 1 1 566 . 13 1 1 A 54 54 ARG H H 54 7.775 8.254 -0.479 1 1 567 . 13 1 1 A 54 54 ARG HA H 54 4.249 5.442 -1.193 1 1 570 . 13 1 1 A 54 54 ARG C C 54 177.121 175.116 2.005 1 1 571 . 13 1 1 A 54 54 ARG CA C 54 58.720 55.670 3.050 1 1 572 . 13 1 1 A 54 54 ARG CB C 54 29.345 31.283 -1.938 1 1 573 . 13 1 1 A 54 54 ARG N N 54 120.518 119.905 0.613 1 1 574 . 13 1 1 A 55 55 ARG H H 55 8.319 8.863 -0.544 1 1 575 . 13 1 1 A 55 55 ARG HA H 55 4.249 5.072 -0.823 1 1 577 . 13 1 1 A 55 55 ARG C C 55 177.395 174.301 3.094 1 1 578 . 13 1 1 A 55 55 ARG CA C 55 56.766 55.451 1.315 1 1 579 . 13 1 1 A 55 55 ARG CB C 55 29.231 33.696 -4.465 1 1 580 . 13 1 1 A 55 55 ARG N N 55 119.094 125.745 -6.651 1 1 581 . 13 1 1 A 56 56 LYS H H 56 8.062 8.795 -0.733 1 1 582 . 13 1 1 A 56 56 LYS HA H 56 4.069 4.866 -0.797 1 1 588 . 13 1 1 A 56 56 LYS C C 56 177.177 176.510 0.667 1 1 589 . 13 1 1 A 56 56 LYS CA C 56 56.740 55.487 1.253 1 1 590 . 13 1 1 A 56 56 LYS CB C 56 31.291 33.789 -2.498 1 1 594 . 13 1 1 A 56 56 LYS N N 56 121.271 127.631 -6.360 1 1 595 . 13 1 1 A 57 57 GLY H H 57 8.138 8.226 -0.088 1 1 596 . 13 1 1 A 57 57 GLY HA2 H 57 4.055 3.942 0.113 1 1 597 . 13 1 1 A 57 57 GLY HA3 H 57 3.766 3.954 -0.188 1 1 598 . 13 1 1 A 57 57 GLY C C 57 174.196 174.307 -0.111 1 1 599 . 13 1 1 A 57 57 GLY CA C 57 45.336 46.704 -1.368 1 1 600 . 13 1 1 A 57 57 GLY N N 57 108.747 107.683 1.064 1 1 601 . 13 1 1 A 58 58 ASP H H 58 7.937 8.294 -0.357 1 1 602 . 13 1 1 A 58 58 ASP HA H 58 4.571 4.756 -0.185 1 1 604 . 13 1 1 A 58 58 ASP CA C 58 54.548 53.155 1.393 1 1 605 . 13 1 1 A 58 58 ASP CB C 58 40.254 39.145 1.109 1 1 606 . 13 1 1 A 58 58 ASP N N 58 121.456 119.795 1.661 1 1 607 . 13 1 1 A 59 59 ALA H H 59 8.150 8.446 -0.296 1 1 608 . 13 1 1 A 59 59 ALA HA H 59 4.178 4.146 0.032 1 1 612 . 13 1 1 A 59 59 ALA C C 59 177.927 178.389 -0.462 1 1 613 . 13 1 1 A 59 59 ALA CA C 59 52.751 55.011 -2.260 1 1 614 . 13 1 1 A 59 59 ALA CB C 59 18.062 19.645 -1.583 1 1 615 . 13 1 1 A 59 59 ALA N N 59 123.316 128.652 -5.336 1 1 616 . 13 1 1 A 60 60 GLY H H 60 8.190 7.462 0.728 1 1 617 . 13 1 1 A 60 60 GLY HA2 H 60 3.954 4.073 -0.119 1 1 618 . 13 1 1 A 60 60 GLY HA3 H 60 3.962 4.080 -0.118 1 1 619 . 13 1 1 A 60 60 GLY C C 60 174.572 174.608 -0.036 1 1 620 . 13 1 1 A 60 60 GLY CA C 60 45.301 45.278 0.023 1 1 621 . 13 1 1 A 60 60 GLY N N 60 107.588 103.071 4.517 1 1 622 . 13 1 1 A 61 61 GLY H H 61 8.014 7.657 0.357 1 1 623 . 13 1 1 A 61 61 GLY HA2 H 61 4.068 4.065 0.003 1 1 624 . 13 1 1 A 61 61 GLY HA3 H 61 3.882 4.066 -0.184 1 1 625 . 13 1 1 A 61 61 GLY C C 61 173.560 174.656 -1.096 1 1 626 . 13 1 1 A 61 61 GLY CA C 61 44.784 45.372 -0.588 1 1 627 . 13 1 1 A 61 61 GLY N N 61 108.839 106.585 2.254 1 1 628 . 13 1 1 A 62 62 LEU H H 62 8.038 7.818 0.220 1 1 629 . 13 1 1 A 62 62 LEU HA H 62 4.528 4.240 0.288 1 1 636 . 13 1 1 A 62 62 LEU C C 62 177.058 176.890 0.168 1 1 637 . 13 1 1 A 62 62 LEU CA C 62 54.038 55.779 -1.741 1 1 638 . 13 1 1 A 62 62 LEU CB C 62 42.254 42.442 -0.188 1 1 641 . 13 1 1 A 62 62 LEU N N 62 122.191 121.584 0.607 1 1 642 . 13 1 1 A 63 63 LYS H H 63 9.378 8.815 0.563 1 1 643 . 13 1 1 A 63 63 LYS HA H 63 4.223 4.545 -0.322 1 1 647 . 13 1 1 A 63 63 LYS C C 63 179.928 178.044 1.884 1 1 648 . 13 1 1 A 63 63 LYS CA C 63 58.665 56.151 2.514 1 1 649 . 13 1 1 A 63 63 LYS CB C 63 31.663 33.526 -1.863 1 1 651 . 13 1 1 A 63 63 LYS N N 63 129.582 122.916 6.666 1 1 652 . 13 1 1 A 64 64 SER H H 64 10.250 8.319 1.931 1 1 653 . 13 1 1 A 64 64 SER HA H 64 4.169 4.176 -0.007 1 1 656 . 13 1 1 A 64 64 SER C C 64 175.569 176.335 -0.766 1 1 657 . 13 1 1 A 64 64 SER CA C 64 61.010 61.205 -0.195 1 1 658 . 13 1 1 A 64 64 SER N N 64 117.647 114.577 3.070 1 1 659 . 13 1 1 A 65 65 PHE H H 65 7.035 8.226 -1.191 1 1 660 . 13 1 1 A 65 65 PHE HA H 65 4.444 4.124 0.320 1 1 663 . 13 1 1 A 65 65 PHE C C 65 176.884 177.214 -0.330 1 1 664 . 13 1 1 A 65 65 PHE CA C 65 61.911 61.596 0.315 1 1 665 . 13 1 1 A 65 65 PHE CB C 65 38.861 39.215 -0.354 1 1 666 . 13 1 1 A 65 65 PHE N N 65 123.056 122.157 0.899 1 1 667 . 13 1 1 A 66 66 THR H H 66 8.475 8.333 0.142 1 1 668 . 13 1 1 A 66 66 THR HA H 66 3.932 4.055 -0.123 1 1 673 . 13 1 1 A 66 66 THR C C 66 176.884 177.033 -0.149 1 1 674 . 13 1 1 A 66 66 THR CA C 66 66.236 66.717 -0.481 1 1 675 . 13 1 1 A 66 66 THR CB C 66 67.993 68.879 -0.886 1 1 677 . 13 1 1 A 66 66 THR N N 66 115.996 115.146 0.850 1 1 678 . 13 1 1 A 67 67 THR H H 67 8.100 7.500 0.600 1 1 679 . 13 1 1 A 67 67 THR HA H 67 3.979 3.878 0.101 1 1 684 . 13 1 1 A 67 67 THR CA C 67 66.516 66.093 0.423 1 1 685 . 13 1 1 A 67 67 THR CB C 67 68.188 68.194 -0.006 1 1 687 . 13 1 1 A 67 67 THR N N 67 120.365 113.993 6.372 1 1 688 . 13 1 1 A 68 68 MET H H 68 8.134 7.879 0.255 1 1 689 . 13 1 1 A 68 68 MET HA H 68 4.429 3.885 0.544 1 1 697 . 13 1 1 A 68 68 MET C C 68 177.682 178.611 -0.929 1 1 698 . 13 1 1 A 68 68 MET CA C 68 56.239 58.523 -2.284 1 1 699 . 13 1 1 A 68 68 MET CB C 68 30.516 31.605 -1.089 1 1 702 . 13 1 1 A 68 68 MET N N 68 120.545 119.807 0.738 1 1 703 . 13 1 1 A 69 69 GLN H H 69 9.139 7.524 1.615 1 1 704 . 13 1 1 A 69 69 GLN HA H 69 3.694 4.024 -0.330 1 1 711 . 13 1 1 A 69 69 GLN C C 69 177.433 178.723 -1.290 1 1 712 . 13 1 1 A 69 69 GLN CA C 69 59.779 58.806 0.973 1 1 713 . 13 1 1 A 69 69 GLN CB C 69 28.547 28.410 0.137 1 1 715 . 13 1 1 A 69 69 GLN N N 69 120.358 119.207 1.151 1 1 717 . 13 1 1 A 70 70 THR H H 70 7.809 7.825 -0.016 1 1 718 . 13 1 1 A 70 70 THR HA H 70 3.979 3.803 0.176 1 1 723 . 13 1 1 A 70 70 THR C C 70 176.394 176.263 0.131 1 1 724 . 13 1 1 A 70 70 THR CA C 70 66.028 66.615 -0.587 1 1 725 . 13 1 1 A 70 70 THR CB C 70 68.198 68.629 -0.431 1 1 727 . 13 1 1 A 70 70 THR N N 70 116.198 116.722 -0.524 1 1 728 . 13 1 1 A 71 71 ALA H H 71 7.859 8.326 -0.467 1 1 729 . 13 1 1 A 71 71 ALA HA H 71 3.994 3.964 0.030 1 1 733 . 13 1 1 A 71 71 ALA CA C 71 54.902 54.884 0.018 1 1 734 . 13 1 1 A 71 71 ALA CB C 71 17.926 17.741 0.185 1 1 735 . 13 1 1 A 71 71 ALA N N 71 126.667 124.193 2.474 1 1 736 . 13 1 1 A 72 72 LEU H H 72 9.261 7.814 1.447 1 1 737 . 13 1 1 A 72 72 LEU HA H 72 3.915 4.065 -0.150 1 1 743 . 13 1 1 A 72 72 LEU C C 72 179.219 178.456 0.763 1 1 744 . 13 1 1 A 72 72 LEU CA C 72 58.406 58.247 0.159 1 1 745 . 13 1 1 A 72 72 LEU CB C 72 38.744 41.639 -2.895 1 1 747 . 13 1 1 A 72 72 LEU N N 72 119.657 120.430 -0.773 1 1 748 . 13 1 1 A 73 73 ASN H H 73 8.542 8.141 0.401 1 1 749 . 13 1 1 A 73 73 ASN HA H 73 4.606 4.412 0.194 1 1 754 . 13 1 1 A 73 73 ASN CA C 73 55.711 56.882 -1.171 1 1 755 . 13 1 1 A 73 73 ASN CB C 73 37.398 39.382 -1.984 1 1 756 . 13 1 1 A 73 73 ASN N N 73 118.851 117.594 1.257 1 1 758 . 13 1 1 A 74 74 SER H H 74 7.849 7.782 0.067 1 1 759 . 13 1 1 A 74 74 SER HA H 74 4.379 4.158 0.221 1 1 762 . 13 1 1 A 74 74 SER C C 74 175.881 177.475 -1.594 1 1 763 . 13 1 1 A 74 74 SER CA C 74 61.405 61.623 -0.218 1 1 764 . 13 1 1 A 74 74 SER N N 74 118.042 114.269 3.773 1 1 765 . 13 1 1 A 75 75 LEU H H 75 8.084 8.766 -0.682 1 1 766 . 13 1 1 A 75 75 LEU HA H 75 4.181 3.989 0.192 1 1 773 . 13 1 1 A 75 75 LEU C C 75 176.899 179.178 -2.279 1 1 774 . 13 1 1 A 75 75 LEU CA C 75 56.746 58.184 -1.438 1 1 775 . 13 1 1 A 75 75 LEU CB C 75 41.896 41.695 0.201 1 1 777 . 13 1 1 A 75 75 LEU N N 75 124.099 121.678 2.421 1 1 778 . 13 1 1 A 76 76 ALA H H 76 8.695 8.184 0.511 1 1 779 . 13 1 1 A 76 76 ALA HA H 76 4.134 4.122 0.012 1 1 783 . 13 1 1 A 76 76 ALA C C 76 180.159 180.432 -0.273 1 1 784 . 13 1 1 A 76 76 ALA CA C 76 55.315 55.558 -0.243 1 1 785 . 13 1 1 A 76 76 ALA CB C 76 17.624 18.166 -0.542 1 1 786 . 13 1 1 A 76 76 ALA N N 76 121.934 120.468 1.466 1 1 787 . 13 1 1 A 77 77 GLY H H 77 8.198 8.214 -0.016 1 1 788 . 13 1 1 A 77 77 GLY HA2 H 77 3.917 3.686 0.231 1 1 789 . 13 1 1 A 77 77 GLY HA3 H 77 3.925 3.701 0.224 1 1 790 . 13 1 1 A 77 77 GLY C C 77 175.177 175.644 -0.467 1 1 791 . 13 1 1 A 77 77 GLY CA C 77 46.066 47.278 -1.212 1 1 792 . 13 1 1 A 77 77 GLY N N 77 105.613 107.087 -1.474 1 1 793 . 13 1 1 A 78 78 TYR H H 78 7.973 8.235 -0.262 1 1 794 . 13 1 1 A 78 78 TYR HA H 78 4.326 4.202 0.124 1 1 797 . 13 1 1 A 78 78 TYR C C 78 176.705 177.411 -0.706 1 1 798 . 13 1 1 A 78 78 TYR CA C 78 61.280 60.853 0.427 1 1 799 . 13 1 1 A 78 78 TYR CB C 78 37.737 38.359 -0.622 1 1 800 . 13 1 1 A 78 78 TYR N N 78 123.680 123.139 0.541 1 1 801 . 13 1 1 A 79 79 TYR H H 79 8.347 8.044 0.303 1 1 802 . 13 1 1 A 79 79 TYR HA H 79 4.750 3.840 0.910 1 1 805 . 13 1 1 A 79 79 TYR C C 79 178.135 175.964 2.171 1 1 806 . 13 1 1 A 79 79 TYR CA C 79 57.389 60.086 -2.697 1 1 807 . 13 1 1 A 79 79 TYR CB C 79 36.796 39.375 -2.579 1 1 808 . 13 1 1 A 79 79 TYR N N 79 119.870 120.455 -0.585 1 1 809 . 13 1 1 A 80 80 THR H H 80 8.180 7.599 0.581 1 1 810 . 13 1 1 A 80 80 THR HA H 80 4.208 4.011 0.197 1 1 815 . 13 1 1 A 80 80 THR C C 80 175.302 174.987 0.315 1 1 816 . 13 1 1 A 80 80 THR CA C 80 64.276 63.362 0.914 1 1 817 . 13 1 1 A 80 80 THR CB C 80 69.098 69.127 -0.029 1 1 819 . 13 1 1 A 80 80 THR N N 80 114.967 114.071 0.896 1 1 820 . 13 1 1 A 81 81 SER H H 81 8.027 9.062 -1.035 1 1 821 . 13 1 1 A 81 81 SER HA H 81 4.214 4.109 0.105 1 1 824 . 13 1 1 A 81 81 SER C C 81 174.305 173.291 1.014 1 1 825 . 13 1 1 A 81 81 SER CA C 81 60.578 59.325 1.253 1 1 826 . 13 1 1 A 81 81 SER CB C 81 63.385 61.624 1.761 1 1 827 . 13 1 1 A 81 81 SER N N 81 116.664 119.564 -2.900 1 1 828 . 13 1 1 A 82 82 TYR H H 82 8.396 7.439 0.957 1 1 829 . 13 1 1 A 82 82 TYR HA H 82 4.612 3.885 0.727 1 1 832 . 13 1 1 A 82 82 TYR C C 82 176.069 176.412 -0.343 1 1 833 . 13 1 1 A 82 82 TYR CA C 82 57.676 58.183 -0.507 1 1 834 . 13 1 1 A 82 82 TYR CB C 82 38.160 36.578 1.582 1 1 835 . 13 1 1 A 82 82 TYR N N 82 119.325 112.687 6.638 1 1 836 . 13 1 1 A 83 83 GLY H H 83 7.982 7.500 0.482 1 1 837 . 13 1 1 A 83 83 GLY HA2 H 83 4.021 3.322 0.699 1 1 838 . 13 1 1 A 83 83 GLY HA3 H 83 3.877 3.672 0.205 1 1 839 . 13 1 1 A 83 83 GLY C C 83 178.820 175.036 3.784 1 1 840 . 13 1 1 A 83 83 GLY CA C 83 46.170 46.775 -0.605 1 1 841 . 13 1 1 A 83 83 GLY N N 83 111.287 111.384 -0.097 1 1 842 . 13 1 1 A 84 84 ALA H H 84 8.505 8.128 0.377 1 1 843 . 13 1 1 A 84 84 ALA HA H 84 4.619 4.021 0.598 1 1 847 . 13 1 1 A 84 84 ALA C C 84 176.933 175.990 0.943 1 1 848 . 13 1 1 A 84 84 ALA CA C 84 51.514 53.090 -1.576 1 1 849 . 13 1 1 A 84 84 ALA CB C 84 18.109 17.475 0.634 1 1 850 . 13 1 1 A 84 84 ALA N N 84 126.408 123.208 3.200 1 1 851 . 13 1 1 A 85 85 ARG H H 85 8.057 7.471 0.586 1 1 852 . 13 1 1 A 85 85 ARG HA H 85 4.696 4.756 -0.060 1 1 854 . 13 1 1 A 85 85 ARG CA C 85 53.887 54.132 -0.245 1 1 855 . 13 1 1 A 85 85 ARG CB C 85 30.500 32.462 -1.962 1 1 856 . 13 1 1 A 85 85 ARG N N 85 123.060 112.062 10.998 1 1 857 . 13 1 1 A 86 86 PRO HA H 86 4.426 4.455 -0.029 1 1 862 . 13 1 1 A 86 86 PRO CA C 86 62.541 63.292 -0.751 1 1 863 . 13 1 1 A 86 86 PRO CB C 86 31.477 31.757 -0.280 1 1 864 . 13 1 1 A 87 87 ILE H H 87 8.449 8.445 0.004 1 1 865 . 13 1 1 A 87 87 ILE HA H 87 3.821 4.282 -0.461 1 1 875 . 13 1 1 A 87 87 ILE CA C 87 58.300 60.208 -1.908 1 1 876 . 13 1 1 A 87 87 ILE CB C 87 37.630 38.283 -0.653 1 1 880 . 13 1 1 A 87 87 ILE N N 87 125.558 124.113 1.445 1 1 881 . 13 1 1 A 88 88 PRO HA H 88 4.425 4.511 -0.086 1 1 884 . 13 1 1 A 88 88 PRO C C 88 177.001 177.730 -0.729 1 1 885 . 13 1 1 A 88 88 PRO CA C 88 62.298 63.255 -0.957 1 1 886 . 13 1 1 A 88 88 PRO CB C 88 32.070 32.734 -0.664 1 1 887 . 13 1 1 A 89 89 GLU H H 89 8.861 8.756 0.105 1 1 888 . 13 1 1 A 89 89 GLU HA H 89 3.871 4.016 -0.145 1 1 891 . 13 1 1 A 89 89 GLU C C 89 177.756 178.597 -0.841 1 1 892 . 13 1 1 A 89 89 GLU CA C 89 59.711 59.003 0.708 1 1 893 . 13 1 1 A 89 89 GLU CB C 89 29.119 28.983 0.136 1 1 894 . 13 1 1 A 89 89 GLU N N 89 125.518 122.823 2.695 1 1 895 . 13 1 1 A 90 90 LYS H H 90 8.827 7.919 0.908 1 1 896 . 13 1 1 A 90 90 LYS HA H 90 3.969 4.093 -0.124 1 1 899 . 13 1 1 A 90 90 LYS C C 90 178.672 179.086 -0.414 1 1 900 . 13 1 1 A 90 90 LYS CA C 90 59.423 59.254 0.169 1 1 901 . 13 1 1 A 90 90 LYS CB C 90 31.820 32.480 -0.660 1 1 902 . 13 1 1 A 90 90 LYS N N 90 117.281 119.347 -2.066 1 1 903 . 13 1 1 A 91 91 LEU H H 91 6.857 8.015 -1.158 1 1 904 . 13 1 1 A 91 91 LEU HA H 91 4.212 4.241 -0.029 1 1 911 . 13 1 1 A 91 91 LEU CA C 91 56.390 57.389 -0.999 1 1 912 . 13 1 1 A 91 91 LEU CB C 91 40.627 41.197 -0.570 1 1 915 . 13 1 1 A 91 91 LEU N N 91 120.818 119.677 1.141 1 1 916 . 13 1 1 A 92 92 LYS H H 92 8.156 8.665 -0.509 1 1 917 . 13 1 1 A 92 92 LYS HA H 92 3.558 4.059 -0.501 1 1 925 . 13 1 1 A 92 92 LYS C C 92 177.480 178.748 -1.268 1 1 926 . 13 1 1 A 92 92 LYS CA C 92 60.613 59.716 0.897 1 1 927 . 13 1 1 A 92 92 LYS CB C 92 31.812 32.089 -0.277 1 1 931 . 13 1 1 A 92 92 LYS N N 92 120.663 120.809 -0.146 1 1 932 . 13 1 1 A 93 93 LYS H H 93 8.156 8.176 -0.020 1 1 933 . 13 1 1 A 93 93 LYS HA H 93 4.032 4.002 0.030 1 1 936 . 13 1 1 A 93 93 LYS C C 93 178.757 179.336 -0.579 1 1 937 . 13 1 1 A 93 93 LYS CA C 93 58.546 59.191 -0.645 1 1 938 . 13 1 1 A 93 93 LYS CB C 93 31.726 31.861 -0.135 1 1 939 . 13 1 1 A 93 93 LYS N N 93 116.478 118.984 -2.506 1 1 940 . 13 1 1 A 94 94 ARG H H 94 7.287 8.058 -0.771 1 1 941 . 13 1 1 A 94 94 ARG HA H 94 4.032 4.022 0.010 1 1 948 . 13 1 1 A 94 94 ARG C C 94 177.872 178.344 -0.472 1 1 949 . 13 1 1 A 94 94 ARG CA C 94 58.639 59.072 -0.433 1 1 950 . 13 1 1 A 94 94 ARG CB C 94 29.490 30.586 -1.096 1 1 953 . 13 1 1 A 94 94 ARG N N 94 120.980 119.340 1.640 1 1 955 . 13 1 1 A 95 95 LEU H H 95 8.365 8.782 -0.417 1 1 956 . 13 1 1 A 95 95 LEU HA H 95 3.597 3.681 -0.084 1 1 960 . 13 1 1 A 95 95 LEU C C 95 177.342 178.745 -1.403 1 1 961 . 13 1 1 A 95 95 LEU CA C 95 57.009 56.713 0.296 1 1 962 . 13 1 1 A 95 95 LEU CB C 95 40.718 41.574 -0.856 1 1 964 . 13 1 1 A 95 95 LEU N N 95 119.611 118.970 0.641 1 1 965 . 13 1 1 A 96 96 GLN H H 96 8.126 8.465 -0.339 1 1 966 . 13 1 1 A 96 96 GLN HA H 96 4.033 4.167 -0.134 1 1 972 . 13 1 1 A 96 96 GLN C C 96 179.502 178.254 1.248 1 1 973 . 13 1 1 A 96 96 GLN CA C 96 58.743 58.633 0.110 1 1 974 . 13 1 1 A 96 96 GLN CB C 96 27.315 28.527 -1.212 1 1 976 . 13 1 1 A 96 96 GLN N N 96 115.986 119.618 -3.632 1 1 978 . 13 1 1 A 97 97 LEU H H 97 7.574 8.201 -0.627 1 1 979 . 13 1 1 A 97 97 LEU HA H 97 4.176 4.132 0.044 1 1 983 . 13 1 1 A 97 97 LEU CA C 97 57.816 57.217 0.599 1 1 984 . 13 1 1 A 97 97 LEU CB C 97 41.107 41.969 -0.862 1 1 985 . 13 1 1 A 97 97 LEU N N 97 121.721 120.785 0.936 1 1 986 . 13 1 1 A 98 98 GLU H H 98 8.180 8.132 0.048 1 1 987 . 13 1 1 A 98 98 GLU HA H 98 3.970 3.907 0.063 1 1 989 . 13 1 1 A 98 98 GLU C C 98 178.852 178.566 0.286 1 1 990 . 13 1 1 A 98 98 GLU CA C 98 59.074 58.907 0.167 1 1 991 . 13 1 1 A 98 98 GLU CB C 98 28.376 28.898 -0.522 1 1 992 . 13 1 1 A 98 98 GLU N N 98 122.418 119.392 3.026 1 1 993 . 13 1 1 A 99 99 PHE H H 99 8.995 7.970 1.025 1 1 994 . 13 1 1 A 99 99 PHE HA H 99 4.560 4.342 0.218 1 1 997 . 13 1 1 A 99 99 PHE C C 99 178.050 177.764 0.286 1 1 998 . 13 1 1 A 99 99 PHE CA C 99 57.595 60.097 -2.502 1 1 999 . 13 1 1 A 99 99 PHE CB C 99 36.788 39.449 -2.661 1 1 1000 . 13 1 1 A 99 99 PHE N N 99 118.943 118.297 0.646 1 1 1001 . 13 1 1 A 100 100 THR H H 100 7.985 8.391 -0.406 1 1 1002 . 13 1 1 A 100 100 THR HA H 100 4.097 4.079 0.018 1 1 1007 . 13 1 1 A 100 100 THR CA C 100 66.567 65.767 0.800 1 1 1008 . 13 1 1 A 100 100 THR CB C 100 68.200 69.160 -0.960 1 1 1010 . 13 1 1 A 100 100 THR N N 100 117.633 115.407 2.226 1 1 1011 . 13 1 1 A 101 101 GLN H H 101 8.160 8.370 -0.210 1 1 1012 . 13 1 1 A 101 101 GLN HA H 101 4.017 4.074 -0.057 1 1 1018 . 13 1 1 A 101 101 GLN C C 101 179.034 177.853 1.181 1 1 1019 . 13 1 1 A 101 101 GLN CA C 101 58.649 58.331 0.318 1 1 1020 . 13 1 1 A 101 101 GLN CB C 101 27.541 28.567 -1.026 1 1 1022 . 13 1 1 A 101 101 GLN N N 101 122.138 120.583 1.555 1 1 1024 . 13 1 1 A 102 102 ALA H H 102 8.768 8.263 0.505 1 1 1025 . 13 1 1 A 102 102 ALA HA H 102 4.036 4.163 -0.127 1 1 1029 . 13 1 1 A 102 102 ALA C C 102 178.466 179.361 -0.895 1 1 1030 . 13 1 1 A 102 102 ALA CA C 102 55.525 54.861 0.664 1 1 1031 . 13 1 1 A 102 102 ALA CB C 102 18.046 18.508 -0.462 1 1 1032 . 13 1 1 A 102 102 ALA N N 102 124.541 122.462 2.079 1 1 1033 . 13 1 1 A 103 103 GLU H H 103 8.552 8.403 0.149 1 1 1034 . 13 1 1 A 103 103 GLU HA H 103 3.680 4.046 -0.366 1 1 1039 . 13 1 1 A 103 103 GLU C C 103 178.447 178.736 -0.289 1 1 1040 . 13 1 1 A 103 103 GLU CA C 103 59.802 59.555 0.247 1 1 1041 . 13 1 1 A 103 103 GLU CB C 103 29.672 29.311 0.361 1 1 1043 . 13 1 1 A 103 103 GLU N N 103 120.048 119.196 0.852 1 1 1044 . 13 1 1 A 104 104 ARG H H 104 8.242 8.540 -0.298 1 1 1045 . 13 1 1 A 104 104 ARG HA H 104 4.214 4.118 0.096 1 1 1048 . 13 1 1 A 104 104 ARG C C 104 178.958 178.419 0.539 1 1 1049 . 13 1 1 A 104 104 ARG CA C 104 58.135 59.106 -0.971 1 1 1050 . 13 1 1 A 104 104 ARG CB C 104 29.742 29.816 -0.074 1 1 1051 . 13 1 1 A 104 104 ARG N N 104 119.448 120.610 -1.162 1 1 1052 . 13 1 1 A 105 105 SER H H 105 8.087 8.146 -0.059 1 1 1053 . 13 1 1 A 105 105 SER HA H 105 4.290 4.299 -0.009 1 1 1056 . 13 1 1 A 105 105 SER CA C 105 61.917 61.378 0.539 1 1 1057 . 13 1 1 A 105 105 SER N N 105 117.329 114.224 3.105 1 1 1058 . 13 1 1 A 106 106 ILE H H 106 8.403 8.424 -0.021 1 1 1059 . 13 1 1 A 106 106 ILE HA H 106 4.113 3.718 0.395 1 1 1069 . 13 1 1 A 106 106 ILE CA C 106 61.487 65.069 -3.582 1 1 1070 . 13 1 1 A 106 106 ILE CB C 106 35.600 37.416 -1.816 1 1 1074 . 13 1 1 A 106 106 ILE N N 106 124.394 121.294 3.100 1 1 1075 . 13 1 1 A 107 107 GLU H H 107 8.187 7.474 0.713 1 1 1076 . 13 1 1 A 107 107 GLU HA H 107 4.126 4.152 -0.026 1 1 1079 . 13 1 1 A 107 107 GLU C C 107 177.494 175.985 1.509 1 1 1080 . 13 1 1 A 107 107 GLU CA C 107 58.849 58.612 0.237 1 1 1081 . 13 1 1 A 107 107 GLU CB C 107 29.052 29.680 -0.628 1 1 1082 . 13 1 1 A 107 107 GLU N N 107 123.223 120.721 2.502 1 1 1083 . 13 1 1 A 108 108 ARG H H 108 7.651 8.226 -0.575 1 1 1084 . 13 1 1 A 108 108 ARG HA H 108 4.431 3.920 0.511 1 1 1090 . 13 1 1 A 108 108 ARG C C 108 175.927 176.167 -0.240 1 1 1091 . 13 1 1 A 108 108 ARG CA C 108 55.584 57.005 -1.421 1 1 1092 . 13 1 1 A 108 108 ARG CB C 108 30.806 27.517 3.289 1 1 1094 . 13 1 1 A 108 108 ARG N N 108 117.394 116.653 0.741 1 1 1095 . 13 1 1 A 109 109 GLY H H 109 8.190 8.278 -0.088 1 1 1096 . 13 1 1 A 109 109 GLY HA2 H 109 4.141 4.127 0.014 1 1 1097 . 13 1 1 A 109 109 GLY HA3 H 109 4.060 4.128 -0.068 1 1 1098 . 13 1 1 A 109 109 GLY C C 109 174.031 174.391 -0.360 1 1 1099 . 13 1 1 A 109 109 GLY CA C 109 45.823 45.714 0.109 1 1 1100 . 13 1 1 A 109 109 GLY N N 109 110.712 105.209 5.503 1 1 7 . 14 1 1 A 2 2 ASP H H 2 8.644 8.519 0.125 1 1 8 . 14 1 1 A 2 2 ASP HA H 2 4.373 4.671 -0.298 1 1 11 . 14 1 1 A 2 2 ASP C C 2 178.938 176.168 2.770 1 1 12 . 14 1 1 A 2 2 ASP CA C 2 53.794 54.551 -0.757 1 1 13 . 14 1 1 A 2 2 ASP CB C 2 41.025 41.812 -0.787 1 1 14 . 14 1 1 A 2 2 ASP N N 2 122.106 127.312 -5.206 1 1 15 . 14 1 1 A 3 3 SER H H 3 8.508 7.521 0.987 1 1 16 . 14 1 1 A 3 3 SER HA H 3 4.331 4.486 -0.155 1 1 19 . 14 1 1 A 3 3 SER C C 3 174.777 174.070 0.707 1 1 20 . 14 1 1 A 3 3 SER CA C 3 58.141 58.267 -0.126 1 1 21 . 14 1 1 A 3 3 SER CB C 3 63.359 64.499 -1.140 1 1 22 . 14 1 1 A 3 3 SER N N 3 117.604 113.887 3.717 1 1 23 . 14 1 1 A 4 4 GLY H H 4 8.603 8.269 0.334 1 1 24 . 14 1 1 A 4 4 GLY HA2 H 4 4.130 4.210 -0.080 1 1 25 . 14 1 1 A 4 4 GLY HA3 H 4 4.076 4.210 -0.134 1 1 26 . 14 1 1 A 4 4 GLY C C 4 174.283 171.786 2.497 1 1 27 . 14 1 1 A 4 4 GLY CA C 4 45.054 45.983 -0.929 1 1 28 . 14 1 1 A 4 4 GLY N N 4 111.842 107.601 4.241 1 1 29 . 14 1 1 A 5 5 THR H H 5 8.140 8.465 -0.325 1 1 30 . 14 1 1 A 5 5 THR HA H 5 4.371 4.932 -0.561 1 1 35 . 14 1 1 A 5 5 THR C C 5 174.827 173.852 0.975 1 1 36 . 14 1 1 A 5 5 THR CA C 5 61.515 59.924 1.591 1 1 37 . 14 1 1 A 5 5 THR CB C 5 69.683 71.584 -1.901 1 1 39 . 14 1 1 A 5 5 THR N N 5 112.188 112.630 -0.442 1 1 40 . 14 1 1 A 6 6 GLY H H 6 8.425 8.963 -0.538 1 1 41 . 14 1 1 A 6 6 GLY HA2 H 6 4.109 4.044 0.065 1 1 42 . 14 1 1 A 6 6 GLY HA3 H 6 3.875 4.068 -0.193 1 1 43 . 14 1 1 A 6 6 GLY C C 6 173.670 174.972 -1.302 1 1 44 . 14 1 1 A 6 6 GLY CA C 6 44.466 45.705 -1.239 1 1 45 . 14 1 1 A 6 6 GLY N N 6 110.955 110.202 0.753 1 1 46 . 14 1 1 A 7 7 LEU H H 7 7.993 8.687 -0.694 1 1 47 . 14 1 1 A 7 7 LEU HA H 7 4.503 4.407 0.096 1 1 53 . 14 1 1 A 7 7 LEU C C 7 177.284 176.591 0.693 1 1 54 . 14 1 1 A 7 7 LEU CA C 7 54.741 54.845 -0.104 1 1 55 . 14 1 1 A 7 7 LEU CB C 7 39.284 43.619 -4.335 1 1 58 . 14 1 1 A 7 7 LEU N N 7 121.268 122.099 -0.831 1 1 59 . 14 1 1 A 8 8 THR H H 8 10.385 8.541 1.844 1 1 60 . 14 1 1 A 8 8 THR HA H 8 4.521 4.503 0.018 1 1 65 . 14 1 1 A 8 8 THR C C 8 176.965 175.229 1.736 1 1 66 . 14 1 1 A 8 8 THR CA C 8 64.563 62.147 2.416 1 1 67 . 14 1 1 A 8 8 THR CB C 8 71.946 71.233 0.713 1 1 69 . 14 1 1 A 8 8 THR N N 8 113.472 114.172 -0.700 1 1 70 . 14 1 1 A 9 9 GLY H H 9 9.733 7.621 2.112 1 1 71 . 14 1 1 A 9 9 GLY HA2 H 9 4.391 2.326 2.065 1 1 72 . 14 1 1 A 9 9 GLY HA3 H 9 3.805 3.420 0.385 1 1 73 . 14 1 1 A 9 9 GLY C C 9 173.133 173.868 -0.735 1 1 74 . 14 1 1 A 9 9 GLY CA C 9 45.453 45.815 -0.362 1 1 75 . 14 1 1 A 9 9 GLY N N 9 114.948 110.559 4.389 1 1 76 . 14 1 1 A 10 10 ASN H H 10 7.664 7.603 0.061 1 1 77 . 14 1 1 A 10 10 ASN HA H 10 4.906 5.291 -0.385 1 1 82 . 14 1 1 A 10 10 ASN C C 10 173.098 174.175 -1.077 1 1 83 . 14 1 1 A 10 10 ASN CA C 10 51.504 51.784 -0.280 1 1 84 . 14 1 1 A 10 10 ASN CB C 10 38.449 41.749 -3.300 1 1 85 . 14 1 1 A 10 10 ASN N N 10 120.991 117.433 3.558 1 1 87 . 14 1 1 A 11 11 TYR H H 11 8.892 8.384 0.508 1 1 88 . 14 1 1 A 11 11 TYR HA H 11 3.767 4.629 -0.862 1 1 91 . 14 1 1 A 11 11 TYR C C 11 177.871 177.226 0.645 1 1 92 . 14 1 1 A 11 11 TYR CA C 11 61.897 58.729 3.168 1 1 93 . 14 1 1 A 11 11 TYR CB C 11 38.099 39.514 -1.415 1 1 94 . 14 1 1 A 11 11 TYR N N 11 128.653 118.889 9.764 1 1 95 . 14 1 1 A 12 12 SER H H 12 8.729 8.719 0.010 1 1 96 . 14 1 1 A 12 12 SER HA H 12 3.747 4.499 -0.752 1 1 99 . 14 1 1 A 12 12 SER C C 12 174.675 177.208 -2.533 1 1 100 . 14 1 1 A 12 12 SER CA C 12 62.371 61.555 0.816 1 1 101 . 14 1 1 A 12 12 SER CB C 12 61.600 62.447 -0.847 1 1 102 . 14 1 1 A 12 12 SER N N 12 119.446 114.593 4.853 1 1 103 . 14 1 1 A 13 13 GLN H H 13 7.645 8.127 -0.482 1 1 104 . 14 1 1 A 13 13 GLN HA H 13 3.955 4.056 -0.101 1 1 110 . 14 1 1 A 13 13 GLN C C 13 178.400 178.553 -0.153 1 1 111 . 14 1 1 A 13 13 GLN CA C 13 58.083 59.048 -0.965 1 1 112 . 14 1 1 A 13 13 GLN CB C 13 28.328 28.127 0.201 1 1 114 . 14 1 1 A 13 13 GLN N N 13 121.234 121.895 -0.661 1 1 116 . 14 1 1 A 14 14 ASP H H 14 9.314 7.891 1.423 1 1 117 . 14 1 1 A 14 14 ASP HA H 14 4.513 4.345 0.168 1 1 120 . 14 1 1 A 14 14 ASP C C 14 177.320 177.908 -0.588 1 1 121 . 14 1 1 A 14 14 ASP CA C 14 56.778 57.414 -0.636 1 1 122 . 14 1 1 A 14 14 ASP CB C 14 40.380 40.846 -0.466 1 1 123 . 14 1 1 A 14 14 ASP N N 14 120.095 119.832 0.263 1 1 124 . 14 1 1 A 15 15 THR H H 15 8.283 7.352 0.931 1 1 125 . 14 1 1 A 15 15 THR HA H 15 3.637 3.837 -0.200 1 1 130 . 14 1 1 A 15 15 THR C C 15 174.455 177.127 -2.672 1 1 131 . 14 1 1 A 15 15 THR CA C 15 67.657 66.195 1.462 1 1 132 . 14 1 1 A 15 15 THR CB C 15 67.465 68.378 -0.913 1 1 134 . 14 1 1 A 15 15 THR N N 15 117.657 113.439 4.218 1 1 135 . 14 1 1 A 16 16 LEU H H 16 7.452 7.899 -0.447 1 1 136 . 14 1 1 A 16 16 LEU HA H 16 3.919 3.982 -0.063 1 1 140 . 14 1 1 A 16 16 LEU C C 16 179.666 179.568 0.098 1 1 141 . 14 1 1 A 16 16 LEU CA C 16 57.864 57.977 -0.113 1 1 142 . 14 1 1 A 16 16 LEU CB C 16 39.811 41.528 -1.717 1 1 144 . 14 1 1 A 16 16 LEU N N 16 120.034 121.788 -1.754 1 1 145 . 14 1 1 A 17 17 THR H H 17 8.708 7.647 1.061 1 1 146 . 14 1 1 A 17 17 THR HA H 17 3.893 3.944 -0.051 1 1 151 . 14 1 1 A 17 17 THR C C 17 179.666 176.768 2.898 1 1 152 . 14 1 1 A 17 17 THR CA C 17 66.152 66.767 -0.615 1 1 153 . 14 1 1 A 17 17 THR CB C 17 67.921 68.491 -0.570 1 1 155 . 14 1 1 A 17 17 THR N N 17 121.382 115.957 5.425 1 1 156 . 14 1 1 A 18 18 VAL H H 18 8.194 8.519 -0.325 1 1 157 . 14 1 1 A 18 18 VAL HA H 18 3.705 3.546 0.159 1 1 165 . 14 1 1 A 18 18 VAL C C 18 177.242 177.870 -0.628 1 1 166 . 14 1 1 A 18 18 VAL CA C 18 65.886 67.107 -1.221 1 1 167 . 14 1 1 A 18 18 VAL CB C 18 30.729 31.759 -1.030 1 1 170 . 14 1 1 A 18 18 VAL N N 18 123.227 121.424 1.803 1 1 171 . 14 1 1 A 19 19 ILE H H 19 7.933 9.224 -1.291 1 1 172 . 14 1 1 A 19 19 ILE HA H 19 2.633 3.707 -1.074 1 1 182 . 14 1 1 A 19 19 ILE C C 19 176.276 178.685 -2.409 1 1 183 . 14 1 1 A 19 19 ILE CA C 19 66.137 65.734 0.403 1 1 184 . 14 1 1 A 19 19 ILE CB C 19 37.782 37.591 0.191 1 1 188 . 14 1 1 A 19 19 ILE N N 19 119.786 119.373 0.413 1 1 189 . 14 1 1 A 20 20 ALA H H 20 7.782 7.700 0.082 1 1 190 . 14 1 1 A 20 20 ALA HA H 20 3.972 4.175 -0.203 1 1 194 . 14 1 1 A 20 20 ALA C C 20 180.867 179.407 1.460 1 1 195 . 14 1 1 A 20 20 ALA CA C 20 55.170 55.352 -0.182 1 1 196 . 14 1 1 A 20 20 ALA CB C 20 17.282 18.790 -1.508 1 1 197 . 14 1 1 A 20 20 ALA N N 20 121.793 122.469 -0.676 1 1 198 . 14 1 1 A 21 21 THR H H 21 8.573 7.721 0.852 1 1 199 . 14 1 1 A 21 21 THR HA H 21 3.902 3.797 0.105 1 1 204 . 14 1 1 A 21 21 THR C C 21 176.720 176.247 0.473 1 1 205 . 14 1 1 A 21 21 THR CA C 21 65.200 67.608 -2.408 1 1 206 . 14 1 1 A 21 21 THR CB C 21 68.092 69.067 -0.975 1 1 208 . 14 1 1 A 21 21 THR N N 21 118.393 113.689 4.704 1 1 209 . 14 1 1 A 22 22 LEU H H 22 8.583 8.508 0.075 1 1 210 . 14 1 1 A 22 22 LEU HA H 22 4.065 3.872 0.193 1 1 217 . 14 1 1 A 22 22 LEU C C 22 178.284 179.226 -0.942 1 1 218 . 14 1 1 A 22 22 LEU CA C 22 57.005 58.270 -1.265 1 1 219 . 14 1 1 A 22 22 LEU CB C 22 40.209 41.732 -1.523 1 1 223 . 14 1 1 A 22 22 LEU N N 22 122.517 120.001 2.516 1 1 224 . 14 1 1 A 23 23 ARG H H 23 8.858 7.750 1.108 1 1 225 . 14 1 1 A 23 23 ARG HA H 23 3.873 4.016 -0.143 1 1 230 . 14 1 1 A 23 23 ARG C C 23 178.503 179.075 -0.572 1 1 231 . 14 1 1 A 23 23 ARG CA C 23 60.362 59.028 1.334 1 1 232 . 14 1 1 A 23 23 ARG CB C 23 29.808 29.338 0.470 1 1 235 . 14 1 1 A 23 23 ARG N N 23 120.502 118.275 2.227 1 1 237 . 14 1 1 A 24 24 GLU H H 24 7.250 8.103 -0.853 1 1 238 . 14 1 1 A 24 24 GLU HA H 24 4.109 3.773 0.336 1 1 243 . 14 1 1 A 24 24 GLU CA C 24 58.312 58.644 -0.332 1 1 244 . 14 1 1 A 24 24 GLU CB C 24 29.024 28.915 0.109 1 1 246 . 14 1 1 A 24 24 GLU N N 24 117.221 119.240 -2.019 1 1 247 . 14 1 1 A 25 25 ALA H H 25 8.223 8.518 -0.295 1 1 248 . 14 1 1 A 25 25 ALA HA H 25 3.983 4.018 -0.035 1 1 252 . 14 1 1 A 25 25 ALA C C 25 180.617 179.378 1.239 1 1 253 . 14 1 1 A 25 25 ALA CA C 25 55.203 55.030 0.173 1 1 254 . 14 1 1 A 25 25 ALA CB C 25 17.657 18.370 -0.713 1 1 255 . 14 1 1 A 25 25 ALA N N 25 121.823 121.424 0.399 1 1 256 . 14 1 1 A 26 26 ILE H H 26 8.552 7.736 0.816 1 1 257 . 14 1 1 A 26 26 ILE HA H 26 4.144 3.795 0.349 1 1 267 . 14 1 1 A 26 26 ILE C C 26 175.586 177.485 -1.899 1 1 268 . 14 1 1 A 26 26 ILE CA C 26 63.790 62.963 0.827 1 1 269 . 14 1 1 A 26 26 ILE CB C 26 37.496 37.952 -0.456 1 1 273 . 14 1 1 A 26 26 ILE N N 26 112.838 118.716 -5.878 1 1 274 . 14 1 1 A 27 27 ASP H H 27 7.175 7.337 -0.162 1 1 275 . 14 1 1 A 27 27 ASP HA H 27 4.934 4.444 0.490 1 1 278 . 14 1 1 A 27 27 ASP C C 27 175.602 176.788 -1.186 1 1 279 . 14 1 1 A 27 27 ASP CA C 27 53.160 55.523 -2.363 1 1 280 . 14 1 1 A 27 27 ASP CB C 27 41.754 40.967 0.787 1 1 281 . 14 1 1 A 27 27 ASP N N 27 120.840 120.635 0.205 1 1 282 . 14 1 1 A 28 28 LEU H H 28 7.136 7.273 -0.137 1 1 283 . 14 1 1 A 28 28 LEU HA H 28 4.510 4.245 0.265 1 1 290 . 14 1 1 A 28 28 LEU CA C 28 53.379 53.623 -0.244 1 1 291 . 14 1 1 A 28 28 LEU CB C 28 42.286 42.330 -0.044 1 1 294 . 14 1 1 A 28 28 LEU N N 28 124.155 122.729 1.426 1 1 295 . 14 1 1 A 29 29 PRO HA H 29 4.552 4.501 0.051 1 1 301 . 14 1 1 A 29 29 PRO C C 29 177.414 177.458 -0.044 1 1 302 . 14 1 1 A 29 29 PRO CA C 29 62.506 62.822 -0.316 1 1 303 . 14 1 1 A 29 29 PRO CB C 29 32.263 32.662 -0.399 1 1 305 . 14 1 1 A 30 30 GLN H H 30 8.935 8.534 0.401 1 1 306 . 14 1 1 A 30 30 GLN HA H 30 3.966 3.995 -0.029 1 1 311 . 14 1 1 A 30 30 GLN C C 30 175.595 176.338 -0.743 1 1 312 . 14 1 1 A 30 30 GLN CA C 30 58.036 58.380 -0.344 1 1 313 . 14 1 1 A 30 30 GLN CB C 30 28.116 28.460 -0.344 1 1 315 . 14 1 1 A 30 30 GLN N N 30 122.119 121.279 0.840 1 1 317 . 14 1 1 A 31 31 ASP H H 31 8.353 8.302 0.051 1 1 318 . 14 1 1 A 31 31 ASP HA H 31 4.682 4.519 0.163 1 1 321 . 14 1 1 A 31 31 ASP C C 31 175.518 176.464 -0.946 1 1 322 . 14 1 1 A 31 31 ASP CA C 31 52.178 54.697 -2.519 1 1 323 . 14 1 1 A 31 31 ASP CB C 31 39.270 39.851 -0.581 1 1 324 . 14 1 1 A 31 31 ASP N N 31 115.909 116.991 -1.082 1 1 325 . 14 1 1 A 32 32 ALA H H 32 7.467 8.468 -1.001 1 1 326 . 14 1 1 A 32 32 ALA HA H 32 4.564 4.837 -0.273 1 1 330 . 14 1 1 A 32 32 ALA CA C 32 50.496 50.069 0.427 1 1 331 . 14 1 1 A 32 32 ALA CB C 32 17.852 19.202 -1.350 1 1 332 . 14 1 1 A 32 32 ALA N N 32 124.893 123.354 1.539 1 1 333 . 14 1 1 A 33 33 PRO HA H 33 4.494 4.455 0.039 1 1 339 . 14 1 1 A 33 33 PRO C C 33 176.278 177.603 -1.325 1 1 340 . 14 1 1 A 33 33 PRO CA C 33 63.894 64.598 -0.704 1 1 341 . 14 1 1 A 33 33 PRO CB C 33 31.354 32.029 -0.675 1 1 344 . 14 1 1 A 34 34 ASN H H 34 8.577 8.654 -0.077 1 1 345 . 14 1 1 A 34 34 ASN HA H 34 5.041 4.886 0.155 1 1 350 . 14 1 1 A 34 34 ASN C C 34 174.678 175.951 -1.273 1 1 351 . 14 1 1 A 34 34 ASN CA C 34 51.792 53.102 -1.310 1 1 352 . 14 1 1 A 34 34 ASN CB C 34 36.334 38.820 -2.486 1 1 353 . 14 1 1 A 34 34 ASN N N 34 115.598 116.550 -0.952 1 1 355 . 14 1 1 A 35 35 ARG H H 35 7.401 8.129 -0.728 1 1 356 . 14 1 1 A 35 35 ARG HA H 35 3.726 4.057 -0.331 1 1 363 . 14 1 1 A 35 35 ARG C C 35 176.887 179.027 -2.140 1 1 364 . 14 1 1 A 35 35 ARG CA C 35 60.063 60.175 -0.112 1 1 365 . 14 1 1 A 35 35 ARG CB C 35 29.571 30.191 -0.620 1 1 368 . 14 1 1 A 35 35 ARG N N 35 119.690 120.512 -0.822 1 1 370 . 14 1 1 A 36 36 GLN H H 36 8.780 8.049 0.731 1 1 371 . 14 1 1 A 36 36 GLN HA H 36 3.805 4.328 -0.523 1 1 377 . 14 1 1 A 36 36 GLN CA C 36 58.618 58.871 -0.253 1 1 378 . 14 1 1 A 36 36 GLN CB C 36 27.595 28.758 -1.163 1 1 380 . 14 1 1 A 36 36 GLN N N 36 119.100 118.700 0.400 1 1 382 . 14 1 1 A 37 37 GLU H H 37 8.128 8.075 0.053 1 1 383 . 14 1 1 A 37 37 GLU HA H 37 4.137 4.104 0.033 1 1 387 . 14 1 1 A 37 37 GLU C C 37 179.222 179.111 0.111 1 1 388 . 14 1 1 A 37 37 GLU CA C 37 59.336 58.984 0.352 1 1 389 . 14 1 1 A 37 37 GLU CB C 37 28.781 29.702 -0.921 1 1 391 . 14 1 1 A 37 37 GLU N N 37 120.485 120.848 -0.363 1 1 392 . 14 1 1 A 38 38 VAL H H 38 8.127 9.125 -0.998 1 1 393 . 14 1 1 A 38 38 VAL HA H 38 3.708 3.595 0.113 1 1 401 . 14 1 1 A 38 38 VAL C C 38 178.246 177.937 0.309 1 1 402 . 14 1 1 A 38 38 VAL CA C 38 66.019 66.619 -0.600 1 1 403 . 14 1 1 A 38 38 VAL CB C 38 31.008 31.513 -0.505 1 1 406 . 14 1 1 A 38 38 VAL N N 38 121.937 120.516 1.421 1 1 407 . 14 1 1 A 39 39 GLN H H 39 8.324 7.806 0.518 1 1 408 . 14 1 1 A 39 39 GLN HA H 39 3.764 3.884 -0.120 1 1 415 . 14 1 1 A 39 39 GLN C C 39 177.642 177.476 0.166 1 1 416 . 14 1 1 A 39 39 GLN CA C 39 59.019 58.964 0.055 1 1 417 . 14 1 1 A 39 39 GLN CB C 39 27.176 28.372 -1.196 1 1 419 . 14 1 1 A 39 39 GLN N N 39 120.203 120.095 0.108 1 1 421 . 14 1 1 A 40 40 ASP H H 40 8.699 8.245 0.454 1 1 422 . 14 1 1 A 40 40 ASP HA H 40 4.391 4.158 0.233 1 1 425 . 14 1 1 A 40 40 ASP C C 40 179.726 178.568 1.158 1 1 426 . 14 1 1 A 40 40 ASP CA C 40 57.267 57.450 -0.183 1 1 427 . 14 1 1 A 40 40 ASP CB C 40 39.458 41.535 -2.077 1 1 428 . 14 1 1 A 40 40 ASP N N 40 121.604 119.704 1.900 1 1 429 . 14 1 1 A 41 41 THR H H 41 8.449 7.904 0.545 1 1 430 . 14 1 1 A 41 41 THR HA H 41 3.981 3.952 0.029 1 1 435 . 14 1 1 A 41 41 THR CA C 41 66.254 65.974 0.280 1 1 436 . 14 1 1 A 41 41 THR CB C 41 67.937 68.563 -0.626 1 1 437 . 14 1 1 A 41 41 THR N N 41 121.386 115.852 5.534 1 1 438 . 14 1 1 A 42 42 ALA H H 42 8.552 7.681 0.871 1 1 439 . 14 1 1 A 42 42 ALA HA H 42 3.876 3.982 -0.106 1 1 443 . 14 1 1 A 42 42 ALA C C 42 178.300 179.672 -1.372 1 1 444 . 14 1 1 A 42 42 ALA CA C 42 55.244 54.996 0.248 1 1 445 . 14 1 1 A 42 42 ALA CB C 42 17.295 18.169 -0.874 1 1 446 . 14 1 1 A 42 42 ALA N N 42 126.245 123.377 2.868 1 1 447 . 14 1 1 A 43 43 ARG H H 43 8.553 7.972 0.581 1 1 448 . 14 1 1 A 43 43 ARG HA H 43 3.923 4.152 -0.229 1 1 451 . 14 1 1 A 43 43 ARG C C 43 178.522 179.727 -1.205 1 1 452 . 14 1 1 A 43 43 ARG CA C 43 59.680 59.885 -0.205 1 1 453 . 14 1 1 A 43 43 ARG CB C 43 29.887 30.157 -0.270 1 1 454 . 14 1 1 A 43 43 ARG N N 43 117.705 119.409 -1.704 1 1 455 . 14 1 1 A 44 44 GLY H H 44 8.049 7.962 0.087 1 1 456 . 14 1 1 A 44 44 GLY HA2 H 44 4.066 3.801 0.265 1 1 457 . 14 1 1 A 44 44 GLY HA3 H 44 3.972 3.805 0.167 1 1 458 . 14 1 1 A 44 44 GLY CA C 44 46.710 47.461 -0.751 1 1 459 . 14 1 1 A 44 44 GLY N N 44 106.443 106.840 -0.397 1 1 460 . 14 1 1 A 45 45 GLN H H 45 8.305 7.462 0.843 1 1 461 . 14 1 1 A 45 45 GLN HA H 45 4.204 4.087 0.117 1 1 466 . 14 1 1 A 45 45 GLN C C 45 177.942 178.401 -0.459 1 1 467 . 14 1 1 A 45 45 GLN CA C 45 59.930 58.647 1.283 1 1 468 . 14 1 1 A 45 45 GLN CB C 45 28.520 28.456 0.064 1 1 470 . 14 1 1 A 45 45 GLN N N 45 123.780 120.787 2.993 1 1 472 . 14 1 1 A 46 46 ILE H H 46 8.673 8.623 0.050 1 1 473 . 14 1 1 A 46 46 ILE HA H 46 3.594 3.698 -0.104 1 1 483 . 14 1 1 A 46 46 ILE C C 46 176.649 178.036 -1.387 1 1 484 . 14 1 1 A 46 46 ILE CA C 46 66.299 65.757 0.542 1 1 485 . 14 1 1 A 46 46 ILE CB C 46 37.762 37.813 -0.051 1 1 489 . 14 1 1 A 46 46 ILE N N 46 120.050 121.330 -1.280 1 1 490 . 14 1 1 A 47 47 ASN H H 47 7.866 8.767 -0.901 1 1 491 . 14 1 1 A 47 47 ASN HA H 47 4.525 4.513 0.012 1 1 495 . 14 1 1 A 47 47 ASN C C 47 176.649 177.885 -1.236 1 1 496 . 14 1 1 A 47 47 ASN CA C 47 55.703 56.426 -0.723 1 1 497 . 14 1 1 A 47 47 ASN CB C 47 37.925 38.089 -0.164 1 1 498 . 14 1 1 A 47 47 ASN N N 47 116.444 116.770 -0.326 1 1 500 . 14 1 1 A 48 48 ASP H H 48 8.185 8.580 -0.395 1 1 501 . 14 1 1 A 48 48 ASP HA H 48 4.460 4.441 0.019 1 1 504 . 14 1 1 A 48 48 ASP C C 48 176.285 178.189 -1.904 1 1 505 . 14 1 1 A 48 48 ASP CA C 48 56.635 57.243 -0.608 1 1 506 . 14 1 1 A 48 48 ASP CB C 48 41.593 41.160 0.433 1 1 507 . 14 1 1 A 48 48 ASP N N 48 121.725 119.521 2.204 1 1 508 . 14 1 1 A 49 49 TYR H H 49 8.756 8.807 -0.051 1 1 509 . 14 1 1 A 49 49 TYR HA H 49 3.892 4.305 -0.413 1 1 512 . 14 1 1 A 49 49 TYR C C 49 176.432 177.020 -0.588 1 1 513 . 14 1 1 A 49 49 TYR CA C 49 62.617 61.615 1.002 1 1 514 . 14 1 1 A 49 49 TYR CB C 49 39.188 38.684 0.504 1 1 515 . 14 1 1 A 49 49 TYR N N 49 121.005 120.380 0.625 1 1 516 . 14 1 1 A 50 50 ILE H H 50 8.481 8.355 0.126 1 1 517 . 14 1 1 A 50 50 ILE HA H 50 3.901 3.415 0.486 1 1 527 . 14 1 1 A 50 50 ILE C C 50 177.407 176.750 0.657 1 1 528 . 14 1 1 A 50 50 ILE CA C 50 63.893 63.602 0.291 1 1 529 . 14 1 1 A 50 50 ILE CB C 50 36.668 37.977 -1.309 1 1 533 . 14 1 1 A 50 50 ILE N N 50 117.237 119.886 -2.649 1 1 534 . 14 1 1 A 51 51 SER H H 51 7.870 7.911 -0.041 1 1 535 . 14 1 1 A 51 51 SER HA H 51 4.203 4.618 -0.415 1 1 538 . 14 1 1 A 51 51 SER C C 51 177.413 174.605 2.808 1 1 539 . 14 1 1 A 51 51 SER CA C 51 61.003 57.828 3.175 1 1 540 . 14 1 1 A 51 51 SER CB C 51 62.711 63.861 -1.150 1 1 541 . 14 1 1 A 51 51 SER N N 51 113.635 115.076 -1.441 1 1 542 . 14 1 1 A 52 52 ARG H H 52 8.386 7.911 0.475 1 1 543 . 14 1 1 A 52 52 ARG HA H 52 3.816 4.572 -0.756 1 1 551 . 14 1 1 A 52 52 ARG C C 52 178.788 175.928 2.860 1 1 552 . 14 1 1 A 52 52 ARG CA C 52 58.343 57.187 1.156 1 1 553 . 14 1 1 A 52 52 ARG CB C 52 30.053 32.805 -2.752 1 1 556 . 14 1 1 A 52 52 ARG N N 52 120.787 122.289 -1.502 1 1 558 . 14 1 1 A 53 53 TYR H H 53 7.428 8.064 -0.636 1 1 559 . 14 1 1 A 53 53 TYR HA H 53 4.667 4.936 -0.269 1 1 562 . 14 1 1 A 53 53 TYR C C 53 174.743 175.820 -1.077 1 1 563 . 14 1 1 A 53 53 TYR CA C 53 57.922 57.242 0.680 1 1 564 . 14 1 1 A 53 53 TYR CB C 53 38.030 38.453 -0.423 1 1 565 . 14 1 1 A 53 53 TYR N N 53 115.269 116.044 -0.775 1 1 566 . 14 1 1 A 54 54 ARG H H 54 7.775 8.055 -0.280 1 1 567 . 14 1 1 A 54 54 ARG HA H 54 4.249 4.082 0.167 1 1 570 . 14 1 1 A 54 54 ARG C C 54 177.121 175.898 1.223 1 1 571 . 14 1 1 A 54 54 ARG CA C 54 58.720 57.913 0.807 1 1 572 . 14 1 1 A 54 54 ARG CB C 54 29.345 29.727 -0.382 1 1 573 . 14 1 1 A 54 54 ARG N N 54 120.518 119.597 0.921 1 1 574 . 14 1 1 A 55 55 ARG H H 55 8.319 7.636 0.683 1 1 575 . 14 1 1 A 55 55 ARG HA H 55 4.249 4.788 -0.539 1 1 577 . 14 1 1 A 55 55 ARG C C 55 177.395 175.834 1.561 1 1 578 . 14 1 1 A 55 55 ARG CA C 55 56.766 55.218 1.548 1 1 579 . 14 1 1 A 55 55 ARG CB C 55 29.231 32.119 -2.888 1 1 580 . 14 1 1 A 55 55 ARG N N 55 119.094 120.819 -1.725 1 1 581 . 14 1 1 A 56 56 LYS H H 56 8.062 8.784 -0.722 1 1 582 . 14 1 1 A 56 56 LYS HA H 56 4.069 4.427 -0.358 1 1 588 . 14 1 1 A 56 56 LYS C C 56 177.177 176.340 0.837 1 1 589 . 14 1 1 A 56 56 LYS CA C 56 56.740 55.318 1.422 1 1 590 . 14 1 1 A 56 56 LYS CB C 56 31.291 34.080 -2.789 1 1 594 . 14 1 1 A 56 56 LYS N N 56 121.271 122.980 -1.709 1 1 595 . 14 1 1 A 57 57 GLY H H 57 8.138 7.631 0.507 1 1 596 . 14 1 1 A 57 57 GLY HA2 H 57 4.055 4.071 -0.016 1 1 597 . 14 1 1 A 57 57 GLY HA3 H 57 3.766 4.129 -0.363 1 1 598 . 14 1 1 A 57 57 GLY C C 57 174.196 174.130 0.066 1 1 599 . 14 1 1 A 57 57 GLY CA C 57 45.336 45.519 -0.183 1 1 600 . 14 1 1 A 57 57 GLY N N 57 108.747 108.481 0.266 1 1 601 . 14 1 1 A 58 58 ASP H H 58 7.937 8.452 -0.515 1 1 602 . 14 1 1 A 58 58 ASP HA H 58 4.571 4.341 0.230 1 1 604 . 14 1 1 A 58 58 ASP CA C 58 54.548 54.824 -0.276 1 1 605 . 14 1 1 A 58 58 ASP CB C 58 40.254 39.529 0.725 1 1 606 . 14 1 1 A 58 58 ASP N N 58 121.456 118.346 3.110 1 1 607 . 14 1 1 A 59 59 ALA H H 59 8.150 8.159 -0.009 1 1 608 . 14 1 1 A 59 59 ALA HA H 59 4.178 4.522 -0.344 1 1 612 . 14 1 1 A 59 59 ALA C C 59 177.927 177.500 0.427 1 1 613 . 14 1 1 A 59 59 ALA CA C 59 52.751 50.995 1.756 1 1 614 . 14 1 1 A 59 59 ALA CB C 59 18.062 17.578 0.484 1 1 615 . 14 1 1 A 59 59 ALA N N 59 123.316 125.665 -2.349 1 1 616 . 14 1 1 A 60 60 GLY H H 60 8.190 8.164 0.026 1 1 617 . 14 1 1 A 60 60 GLY HA2 H 60 3.954 3.903 0.051 1 1 618 . 14 1 1 A 60 60 GLY HA3 H 60 3.962 3.907 0.055 1 1 619 . 14 1 1 A 60 60 GLY C C 60 174.572 173.693 0.879 1 1 620 . 14 1 1 A 60 60 GLY CA C 60 45.301 46.965 -1.664 1 1 621 . 14 1 1 A 60 60 GLY N N 60 107.588 107.701 -0.113 1 1 622 . 14 1 1 A 61 61 GLY H H 61 8.014 8.086 -0.072 1 1 623 . 14 1 1 A 61 61 GLY HA2 H 61 4.068 4.203 -0.135 1 1 624 . 14 1 1 A 61 61 GLY HA3 H 61 3.882 4.211 -0.329 1 1 625 . 14 1 1 A 61 61 GLY C C 61 173.560 173.732 -0.172 1 1 626 . 14 1 1 A 61 61 GLY CA C 61 44.784 46.237 -1.453 1 1 627 . 14 1 1 A 61 61 GLY N N 61 108.839 106.651 2.188 1 1 628 . 14 1 1 A 62 62 LEU H H 62 8.038 8.444 -0.406 1 1 629 . 14 1 1 A 62 62 LEU HA H 62 4.528 4.081 0.447 1 1 636 . 14 1 1 A 62 62 LEU C C 62 177.058 176.961 0.097 1 1 637 . 14 1 1 A 62 62 LEU CA C 62 54.038 55.612 -1.574 1 1 638 . 14 1 1 A 62 62 LEU CB C 62 42.254 40.705 1.549 1 1 641 . 14 1 1 A 62 62 LEU N N 62 122.191 123.778 -1.587 1 1 642 . 14 1 1 A 63 63 LYS H H 63 9.378 8.316 1.062 1 1 643 . 14 1 1 A 63 63 LYS HA H 63 4.223 4.243 -0.020 1 1 647 . 14 1 1 A 63 63 LYS C C 63 179.928 178.672 1.256 1 1 648 . 14 1 1 A 63 63 LYS CA C 63 58.665 58.485 0.180 1 1 649 . 14 1 1 A 63 63 LYS CB C 63 31.663 32.035 -0.372 1 1 651 . 14 1 1 A 63 63 LYS N N 63 129.582 126.972 2.610 1 1 652 . 14 1 1 A 64 64 SER H H 64 10.250 8.352 1.898 1 1 653 . 14 1 1 A 64 64 SER HA H 64 4.169 4.283 -0.114 1 1 656 . 14 1 1 A 64 64 SER C C 64 175.569 176.325 -0.756 1 1 657 . 14 1 1 A 64 64 SER CA C 64 61.010 61.591 -0.581 1 1 658 . 14 1 1 A 64 64 SER N N 64 117.647 115.242 2.405 1 1 659 . 14 1 1 A 65 65 PHE H H 65 7.035 8.279 -1.244 1 1 660 . 14 1 1 A 65 65 PHE HA H 65 4.444 4.142 0.302 1 1 663 . 14 1 1 A 65 65 PHE C C 65 176.884 177.001 -0.117 1 1 664 . 14 1 1 A 65 65 PHE CA C 65 61.911 61.772 0.139 1 1 665 . 14 1 1 A 65 65 PHE CB C 65 38.861 39.213 -0.352 1 1 666 . 14 1 1 A 65 65 PHE N N 65 123.056 122.804 0.252 1 1 667 . 14 1 1 A 66 66 THR H H 66 8.475 8.209 0.266 1 1 668 . 14 1 1 A 66 66 THR HA H 66 3.932 3.515 0.417 1 1 673 . 14 1 1 A 66 66 THR C C 66 176.884 176.439 0.445 1 1 674 . 14 1 1 A 66 66 THR CA C 66 66.236 66.101 0.135 1 1 675 . 14 1 1 A 66 66 THR CB C 66 67.993 68.210 -0.217 1 1 677 . 14 1 1 A 66 66 THR N N 66 115.996 115.136 0.860 1 1 678 . 14 1 1 A 67 67 THR H H 67 8.100 7.778 0.322 1 1 679 . 14 1 1 A 67 67 THR HA H 67 3.979 4.165 -0.186 1 1 684 . 14 1 1 A 67 67 THR CA C 67 66.516 65.982 0.534 1 1 685 . 14 1 1 A 67 67 THR CB C 67 68.188 68.375 -0.187 1 1 687 . 14 1 1 A 67 67 THR N N 67 120.365 115.636 4.729 1 1 688 . 14 1 1 A 68 68 MET H H 68 8.134 7.733 0.401 1 1 689 . 14 1 1 A 68 68 MET HA H 68 4.429 4.008 0.421 1 1 697 . 14 1 1 A 68 68 MET C C 68 177.682 178.604 -0.922 1 1 698 . 14 1 1 A 68 68 MET CA C 68 56.239 59.012 -2.773 1 1 699 . 14 1 1 A 68 68 MET CB C 68 30.516 32.346 -1.830 1 1 702 . 14 1 1 A 68 68 MET N N 68 120.545 119.267 1.278 1 1 703 . 14 1 1 A 69 69 GLN H H 69 9.139 6.921 2.218 1 1 704 . 14 1 1 A 69 69 GLN HA H 69 3.694 4.189 -0.495 1 1 711 . 14 1 1 A 69 69 GLN C C 69 177.433 178.334 -0.901 1 1 712 . 14 1 1 A 69 69 GLN CA C 69 59.779 58.206 1.573 1 1 713 . 14 1 1 A 69 69 GLN CB C 69 28.547 27.969 0.578 1 1 715 . 14 1 1 A 69 69 GLN N N 69 120.358 118.736 1.622 1 1 717 . 14 1 1 A 70 70 THR H H 70 7.809 8.306 -0.497 1 1 718 . 14 1 1 A 70 70 THR HA H 70 3.979 3.951 0.028 1 1 723 . 14 1 1 A 70 70 THR C C 70 176.394 176.515 -0.121 1 1 724 . 14 1 1 A 70 70 THR CA C 70 66.028 66.476 -0.448 1 1 725 . 14 1 1 A 70 70 THR CB C 70 68.198 68.923 -0.725 1 1 727 . 14 1 1 A 70 70 THR N N 70 116.198 116.994 -0.796 1 1 728 . 14 1 1 A 71 71 ALA H H 71 7.859 8.447 -0.588 1 1 729 . 14 1 1 A 71 71 ALA HA H 71 3.994 4.117 -0.123 1 1 733 . 14 1 1 A 71 71 ALA CA C 71 54.902 54.941 -0.039 1 1 734 . 14 1 1 A 71 71 ALA CB C 71 17.926 18.445 -0.519 1 1 735 . 14 1 1 A 71 71 ALA N N 71 126.667 124.204 2.463 1 1 736 . 14 1 1 A 72 72 LEU H H 72 9.261 8.152 1.109 1 1 737 . 14 1 1 A 72 72 LEU HA H 72 3.915 4.136 -0.221 1 1 743 . 14 1 1 A 72 72 LEU C C 72 179.219 178.719 0.500 1 1 744 . 14 1 1 A 72 72 LEU CA C 72 58.406 57.548 0.858 1 1 745 . 14 1 1 A 72 72 LEU CB C 72 38.744 41.753 -3.009 1 1 747 . 14 1 1 A 72 72 LEU N N 72 119.657 120.707 -1.050 1 1 748 . 14 1 1 A 73 73 ASN H H 73 8.542 8.293 0.249 1 1 749 . 14 1 1 A 73 73 ASN HA H 73 4.606 4.461 0.145 1 1 754 . 14 1 1 A 73 73 ASN CA C 73 55.711 56.295 -0.584 1 1 755 . 14 1 1 A 73 73 ASN CB C 73 37.398 38.765 -1.367 1 1 756 . 14 1 1 A 73 73 ASN N N 73 118.851 117.791 1.060 1 1 758 . 14 1 1 A 74 74 SER H H 74 7.849 7.863 -0.014 1 1 759 . 14 1 1 A 74 74 SER HA H 74 4.379 4.242 0.137 1 1 762 . 14 1 1 A 74 74 SER C C 74 175.881 176.733 -0.852 1 1 763 . 14 1 1 A 74 74 SER CA C 74 61.405 61.318 0.087 1 1 764 . 14 1 1 A 74 74 SER N N 74 118.042 115.489 2.553 1 1 765 . 14 1 1 A 75 75 LEU H H 75 8.084 9.278 -1.194 1 1 766 . 14 1 1 A 75 75 LEU HA H 75 4.181 4.052 0.129 1 1 773 . 14 1 1 A 75 75 LEU C C 75 176.899 178.213 -1.314 1 1 774 . 14 1 1 A 75 75 LEU CA C 75 56.746 58.570 -1.824 1 1 775 . 14 1 1 A 75 75 LEU CB C 75 41.896 42.017 -0.121 1 1 777 . 14 1 1 A 75 75 LEU N N 75 124.099 122.675 1.424 1 1 778 . 14 1 1 A 76 76 ALA H H 76 8.695 7.952 0.743 1 1 779 . 14 1 1 A 76 76 ALA HA H 76 4.134 4.307 -0.173 1 1 783 . 14 1 1 A 76 76 ALA C C 76 180.159 180.222 -0.063 1 1 784 . 14 1 1 A 76 76 ALA CA C 76 55.315 55.183 0.132 1 1 785 . 14 1 1 A 76 76 ALA CB C 76 17.624 18.509 -0.885 1 1 786 . 14 1 1 A 76 76 ALA N N 76 121.934 120.346 1.588 1 1 787 . 14 1 1 A 77 77 GLY H H 77 8.198 8.747 -0.549 1 1 788 . 14 1 1 A 77 77 GLY HA2 H 77 3.917 3.517 0.400 1 1 789 . 14 1 1 A 77 77 GLY HA3 H 77 3.925 3.545 0.380 1 1 790 . 14 1 1 A 77 77 GLY C C 77 175.177 175.581 -0.404 1 1 791 . 14 1 1 A 77 77 GLY CA C 77 46.066 47.218 -1.152 1 1 792 . 14 1 1 A 77 77 GLY N N 77 105.613 106.526 -0.913 1 1 793 . 14 1 1 A 78 78 TYR H H 78 7.973 8.182 -0.209 1 1 794 . 14 1 1 A 78 78 TYR HA H 78 4.326 4.179 0.147 1 1 797 . 14 1 1 A 78 78 TYR C C 78 176.705 177.713 -1.008 1 1 798 . 14 1 1 A 78 78 TYR CA C 78 61.280 60.851 0.429 1 1 799 . 14 1 1 A 78 78 TYR CB C 78 37.737 38.823 -1.086 1 1 800 . 14 1 1 A 78 78 TYR N N 78 123.680 123.222 0.458 1 1 801 . 14 1 1 A 79 79 TYR H H 79 8.347 7.685 0.662 1 1 802 . 14 1 1 A 79 79 TYR HA H 79 4.750 4.134 0.616 1 1 805 . 14 1 1 A 79 79 TYR C C 79 178.135 177.404 0.731 1 1 806 . 14 1 1 A 79 79 TYR CA C 79 57.389 60.910 -3.521 1 1 807 . 14 1 1 A 79 79 TYR CB C 79 36.796 38.529 -1.733 1 1 808 . 14 1 1 A 79 79 TYR N N 79 119.870 120.255 -0.385 1 1 809 . 14 1 1 A 80 80 THR H H 80 8.180 8.500 -0.320 1 1 810 . 14 1 1 A 80 80 THR HA H 80 4.208 3.314 0.894 1 1 815 . 14 1 1 A 80 80 THR C C 80 175.302 176.659 -1.357 1 1 816 . 14 1 1 A 80 80 THR CA C 80 64.276 65.836 -1.560 1 1 817 . 14 1 1 A 80 80 THR CB C 80 69.098 68.470 0.628 1 1 819 . 14 1 1 A 80 80 THR N N 80 114.967 115.695 -0.728 1 1 820 . 14 1 1 A 81 81 SER H H 81 8.027 7.838 0.189 1 1 821 . 14 1 1 A 81 81 SER HA H 81 4.214 4.130 0.084 1 1 824 . 14 1 1 A 81 81 SER C C 81 174.305 173.597 0.708 1 1 825 . 14 1 1 A 81 81 SER CA C 81 60.578 60.503 0.075 1 1 826 . 14 1 1 A 81 81 SER CB C 81 63.385 63.369 0.016 1 1 827 . 14 1 1 A 81 81 SER N N 81 116.664 115.076 1.588 1 1 828 . 14 1 1 A 82 82 TYR H H 82 8.396 7.893 0.503 1 1 829 . 14 1 1 A 82 82 TYR HA H 82 4.612 4.014 0.598 1 1 832 . 14 1 1 A 82 82 TYR C C 82 176.069 174.600 1.469 1 1 833 . 14 1 1 A 82 82 TYR CA C 82 57.676 58.597 -0.921 1 1 834 . 14 1 1 A 82 82 TYR CB C 82 38.160 36.502 1.658 1 1 835 . 14 1 1 A 82 82 TYR N N 82 119.325 120.210 -0.885 1 1 836 . 14 1 1 A 83 83 GLY H H 83 7.982 7.792 0.190 1 1 837 . 14 1 1 A 83 83 GLY HA2 H 83 4.021 4.007 0.014 1 1 838 . 14 1 1 A 83 83 GLY HA3 H 83 3.877 4.106 -0.229 1 1 839 . 14 1 1 A 83 83 GLY C C 83 178.820 172.436 6.384 1 1 840 . 14 1 1 A 83 83 GLY CA C 83 46.170 44.468 1.702 1 1 841 . 14 1 1 A 83 83 GLY N N 83 111.287 108.181 3.106 1 1 842 . 14 1 1 A 84 84 ALA H H 84 8.505 8.349 0.156 1 1 843 . 14 1 1 A 84 84 ALA HA H 84 4.619 4.260 0.359 1 1 847 . 14 1 1 A 84 84 ALA C C 84 176.933 175.848 1.085 1 1 848 . 14 1 1 A 84 84 ALA CA C 84 51.514 51.606 -0.092 1 1 849 . 14 1 1 A 84 84 ALA CB C 84 18.109 17.396 0.713 1 1 850 . 14 1 1 A 84 84 ALA N N 84 126.408 127.222 -0.814 1 1 851 . 14 1 1 A 85 85 ARG H H 85 8.057 7.904 0.153 1 1 852 . 14 1 1 A 85 85 ARG HA H 85 4.696 4.982 -0.286 1 1 854 . 14 1 1 A 85 85 ARG CA C 85 53.887 52.763 1.124 1 1 855 . 14 1 1 A 85 85 ARG CB C 85 30.500 32.505 -2.005 1 1 856 . 14 1 1 A 85 85 ARG N N 85 123.060 117.167 5.893 1 1 857 . 14 1 1 A 86 86 PRO HA H 86 4.426 4.461 -0.035 1 1 862 . 14 1 1 A 86 86 PRO CA C 86 62.541 63.207 -0.666 1 1 863 . 14 1 1 A 86 86 PRO CB C 86 31.477 32.243 -0.766 1 1 864 . 14 1 1 A 87 87 ILE H H 87 8.449 8.332 0.117 1 1 865 . 14 1 1 A 87 87 ILE HA H 87 3.821 4.510 -0.689 1 1 875 . 14 1 1 A 87 87 ILE CA C 87 58.300 58.980 -0.680 1 1 876 . 14 1 1 A 87 87 ILE CB C 87 37.630 38.205 -0.575 1 1 880 . 14 1 1 A 87 87 ILE N N 87 125.558 123.710 1.848 1 1 881 . 14 1 1 A 88 88 PRO HA H 88 4.425 4.509 -0.084 1 1 884 . 14 1 1 A 88 88 PRO C C 88 177.001 178.013 -1.012 1 1 885 . 14 1 1 A 88 88 PRO CA C 88 62.298 63.391 -1.093 1 1 886 . 14 1 1 A 88 88 PRO CB C 88 32.070 32.559 -0.489 1 1 887 . 14 1 1 A 89 89 GLU H H 89 8.861 8.667 0.194 1 1 888 . 14 1 1 A 89 89 GLU HA H 89 3.871 3.954 -0.083 1 1 891 . 14 1 1 A 89 89 GLU C C 89 177.756 178.319 -0.563 1 1 892 . 14 1 1 A 89 89 GLU CA C 89 59.711 59.690 0.021 1 1 893 . 14 1 1 A 89 89 GLU CB C 89 29.119 29.366 -0.247 1 1 894 . 14 1 1 A 89 89 GLU N N 89 125.518 123.043 2.475 1 1 895 . 14 1 1 A 90 90 LYS H H 90 8.827 7.805 1.022 1 1 896 . 14 1 1 A 90 90 LYS HA H 90 3.969 4.091 -0.122 1 1 899 . 14 1 1 A 90 90 LYS C C 90 178.672 179.513 -0.841 1 1 900 . 14 1 1 A 90 90 LYS CA C 90 59.423 59.492 -0.069 1 1 901 . 14 1 1 A 90 90 LYS CB C 90 31.820 32.314 -0.494 1 1 902 . 14 1 1 A 90 90 LYS N N 90 117.281 120.311 -3.030 1 1 903 . 14 1 1 A 91 91 LEU H H 91 6.857 7.966 -1.109 1 1 904 . 14 1 1 A 91 91 LEU HA H 91 4.212 4.048 0.164 1 1 911 . 14 1 1 A 91 91 LEU CA C 91 56.390 57.834 -1.444 1 1 912 . 14 1 1 A 91 91 LEU CB C 91 40.627 41.242 -0.615 1 1 915 . 14 1 1 A 91 91 LEU N N 91 120.818 119.954 0.864 1 1 916 . 14 1 1 A 92 92 LYS H H 92 8.156 8.664 -0.508 1 1 917 . 14 1 1 A 92 92 LYS HA H 92 3.558 3.908 -0.350 1 1 925 . 14 1 1 A 92 92 LYS C C 92 177.480 179.206 -1.726 1 1 926 . 14 1 1 A 92 92 LYS CA C 92 60.613 59.855 0.758 1 1 927 . 14 1 1 A 92 92 LYS CB C 92 31.812 32.541 -0.729 1 1 931 . 14 1 1 A 92 92 LYS N N 92 120.663 119.628 1.035 1 1 932 . 14 1 1 A 93 93 LYS H H 93 8.156 8.880 -0.724 1 1 933 . 14 1 1 A 93 93 LYS HA H 93 4.032 3.994 0.038 1 1 936 . 14 1 1 A 93 93 LYS C C 93 178.757 178.402 0.355 1 1 937 . 14 1 1 A 93 93 LYS CA C 93 58.546 59.583 -1.037 1 1 938 . 14 1 1 A 93 93 LYS CB C 93 31.726 32.123 -0.397 1 1 939 . 14 1 1 A 93 93 LYS N N 93 116.478 118.871 -2.393 1 1 940 . 14 1 1 A 94 94 ARG H H 94 7.287 8.624 -1.337 1 1 941 . 14 1 1 A 94 94 ARG HA H 94 4.032 4.076 -0.044 1 1 948 . 14 1 1 A 94 94 ARG C C 94 177.872 179.127 -1.255 1 1 949 . 14 1 1 A 94 94 ARG CA C 94 58.639 59.200 -0.561 1 1 950 . 14 1 1 A 94 94 ARG CB C 94 29.490 29.753 -0.263 1 1 953 . 14 1 1 A 94 94 ARG N N 94 120.980 119.552 1.428 1 1 955 . 14 1 1 A 95 95 LEU H H 95 8.365 9.320 -0.955 1 1 956 . 14 1 1 A 95 95 LEU HA H 95 3.597 4.027 -0.430 1 1 960 . 14 1 1 A 95 95 LEU C C 95 177.342 179.492 -2.150 1 1 961 . 14 1 1 A 95 95 LEU CA C 95 57.009 57.960 -0.951 1 1 962 . 14 1 1 A 95 95 LEU CB C 95 40.718 40.979 -0.261 1 1 964 . 14 1 1 A 95 95 LEU N N 95 119.611 119.856 -0.245 1 1 965 . 14 1 1 A 96 96 GLN H H 96 8.126 8.931 -0.805 1 1 966 . 14 1 1 A 96 96 GLN HA H 96 4.033 4.186 -0.153 1 1 972 . 14 1 1 A 96 96 GLN C C 96 179.502 178.325 1.177 1 1 973 . 14 1 1 A 96 96 GLN CA C 96 58.743 59.105 -0.362 1 1 974 . 14 1 1 A 96 96 GLN CB C 96 27.315 28.348 -1.033 1 1 976 . 14 1 1 A 96 96 GLN N N 96 115.986 119.684 -3.698 1 1 978 . 14 1 1 A 97 97 LEU H H 97 7.574 9.101 -1.527 1 1 979 . 14 1 1 A 97 97 LEU HA H 97 4.176 4.400 -0.224 1 1 983 . 14 1 1 A 97 97 LEU CA C 97 57.816 57.709 0.107 1 1 984 . 14 1 1 A 97 97 LEU CB C 97 41.107 42.026 -0.919 1 1 985 . 14 1 1 A 97 97 LEU N N 97 121.721 121.163 0.558 1 1 986 . 14 1 1 A 98 98 GLU H H 98 8.180 9.213 -1.033 1 1 987 . 14 1 1 A 98 98 GLU HA H 98 3.970 3.971 -0.001 1 1 989 . 14 1 1 A 98 98 GLU C C 98 178.852 178.963 -0.111 1 1 990 . 14 1 1 A 98 98 GLU CA C 98 59.074 59.444 -0.370 1 1 991 . 14 1 1 A 98 98 GLU CB C 98 28.376 29.246 -0.870 1 1 992 . 14 1 1 A 98 98 GLU N N 98 122.418 119.316 3.102 1 1 993 . 14 1 1 A 99 99 PHE H H 99 8.995 9.396 -0.401 1 1 994 . 14 1 1 A 99 99 PHE HA H 99 4.560 4.081 0.479 1 1 997 . 14 1 1 A 99 99 PHE C C 99 178.050 177.872 0.178 1 1 998 . 14 1 1 A 99 99 PHE CA C 99 57.595 61.433 -3.838 1 1 999 . 14 1 1 A 99 99 PHE CB C 99 36.788 39.183 -2.395 1 1 1000 . 14 1 1 A 99 99 PHE N N 99 118.943 120.634 -1.691 1 1 1001 . 14 1 1 A 100 100 THR H H 100 7.985 9.081 -1.096 1 1 1002 . 14 1 1 A 100 100 THR HA H 100 4.097 3.642 0.455 1 1 1007 . 14 1 1 A 100 100 THR CA C 100 66.567 65.414 1.153 1 1 1008 . 14 1 1 A 100 100 THR CB C 100 68.200 68.228 -0.028 1 1 1010 . 14 1 1 A 100 100 THR N N 100 117.633 112.653 4.980 1 1 1011 . 14 1 1 A 101 101 GLN H H 101 8.160 9.098 -0.938 1 1 1012 . 14 1 1 A 101 101 GLN HA H 101 4.017 4.202 -0.185 1 1 1018 . 14 1 1 A 101 101 GLN C C 101 179.034 177.465 1.569 1 1 1019 . 14 1 1 A 101 101 GLN CA C 101 58.649 56.940 1.709 1 1 1020 . 14 1 1 A 101 101 GLN CB C 101 27.541 29.084 -1.543 1 1 1022 . 14 1 1 A 101 101 GLN N N 101 122.138 121.521 0.617 1 1 1024 . 14 1 1 A 102 102 ALA H H 102 8.768 8.876 -0.108 1 1 1025 . 14 1 1 A 102 102 ALA HA H 102 4.036 4.238 -0.202 1 1 1029 . 14 1 1 A 102 102 ALA C C 102 178.466 178.892 -0.426 1 1 1030 . 14 1 1 A 102 102 ALA CA C 102 55.525 54.989 0.536 1 1 1031 . 14 1 1 A 102 102 ALA CB C 102 18.046 19.222 -1.176 1 1 1032 . 14 1 1 A 102 102 ALA N N 102 124.541 122.210 2.331 1 1 1033 . 14 1 1 A 103 103 GLU H H 103 8.552 9.225 -0.673 1 1 1034 . 14 1 1 A 103 103 GLU HA H 103 3.680 3.997 -0.317 1 1 1039 . 14 1 1 A 103 103 GLU C C 103 178.447 178.596 -0.149 1 1 1040 . 14 1 1 A 103 103 GLU CA C 103 59.802 59.191 0.611 1 1 1041 . 14 1 1 A 103 103 GLU CB C 103 29.672 29.160 0.512 1 1 1043 . 14 1 1 A 103 103 GLU N N 103 120.048 118.720 1.328 1 1 1044 . 14 1 1 A 104 104 ARG H H 104 8.242 8.394 -0.152 1 1 1045 . 14 1 1 A 104 104 ARG HA H 104 4.214 3.947 0.267 1 1 1048 . 14 1 1 A 104 104 ARG C C 104 178.958 178.394 0.564 1 1 1049 . 14 1 1 A 104 104 ARG CA C 104 58.135 59.287 -1.152 1 1 1050 . 14 1 1 A 104 104 ARG CB C 104 29.742 29.799 -0.057 1 1 1051 . 14 1 1 A 104 104 ARG N N 104 119.448 120.247 -0.799 1 1 1052 . 14 1 1 A 105 105 SER H H 105 8.087 7.677 0.410 1 1 1053 . 14 1 1 A 105 105 SER HA H 105 4.290 4.223 0.067 1 1 1056 . 14 1 1 A 105 105 SER CA C 105 61.917 62.361 -0.444 1 1 1057 . 14 1 1 A 105 105 SER N N 105 117.329 116.507 0.822 1 1 1058 . 14 1 1 A 106 106 ILE H H 106 8.403 8.150 0.253 1 1 1059 . 14 1 1 A 106 106 ILE HA H 106 4.113 3.813 0.300 1 1 1069 . 14 1 1 A 106 106 ILE CA C 106 61.487 63.423 -1.936 1 1 1070 . 14 1 1 A 106 106 ILE CB C 106 35.600 37.330 -1.730 1 1 1074 . 14 1 1 A 106 106 ILE N N 106 124.394 120.871 3.523 1 1 1075 . 14 1 1 A 107 107 GLU H H 107 8.187 8.388 -0.201 1 1 1076 . 14 1 1 A 107 107 GLU HA H 107 4.126 4.031 0.095 1 1 1079 . 14 1 1 A 107 107 GLU C C 107 177.494 177.817 -0.323 1 1 1080 . 14 1 1 A 107 107 GLU CA C 107 58.849 59.376 -0.527 1 1 1081 . 14 1 1 A 107 107 GLU CB C 107 29.052 29.520 -0.468 1 1 1082 . 14 1 1 A 107 107 GLU N N 107 123.223 121.616 1.607 1 1 1083 . 14 1 1 A 108 108 ARG H H 108 7.651 7.489 0.162 1 1 1084 . 14 1 1 A 108 108 ARG HA H 108 4.431 4.545 -0.114 1 1 1090 . 14 1 1 A 108 108 ARG C C 108 175.927 177.141 -1.214 1 1 1091 . 14 1 1 A 108 108 ARG CA C 108 55.584 56.712 -1.128 1 1 1092 . 14 1 1 A 108 108 ARG CB C 108 30.806 32.099 -1.293 1 1 1094 . 14 1 1 A 108 108 ARG N N 108 117.394 115.911 1.483 1 1 1095 . 14 1 1 A 109 109 GLY H H 109 8.190 7.634 0.556 1 1 1096 . 14 1 1 A 109 109 GLY HA2 H 109 4.141 4.017 0.124 1 1 1097 . 14 1 1 A 109 109 GLY HA3 H 109 4.060 4.017 0.043 1 1 1098 . 14 1 1 A 109 109 GLY C C 109 174.031 174.777 -0.746 1 1 1099 . 14 1 1 A 109 109 GLY CA C 109 45.823 44.817 1.006 1 1 1100 . 14 1 1 A 109 109 GLY N N 109 110.712 108.518 2.194 1 1 7 . 15 1 1 A 2 2 ASP H H 2 8.644 8.021 0.623 1 1 8 . 15 1 1 A 2 2 ASP HA H 2 4.373 4.489 -0.116 1 1 11 . 15 1 1 A 2 2 ASP C C 2 178.938 175.250 3.688 1 1 12 . 15 1 1 A 2 2 ASP CA C 2 53.794 54.267 -0.473 1 1 13 . 15 1 1 A 2 2 ASP CB C 2 41.025 39.964 1.061 1 1 14 . 15 1 1 A 2 2 ASP N N 2 122.106 119.940 2.166 1 1 15 . 15 1 1 A 3 3 SER H H 3 8.508 8.455 0.053 1 1 16 . 15 1 1 A 3 3 SER HA H 3 4.331 4.942 -0.611 1 1 19 . 15 1 1 A 3 3 SER C C 3 174.777 173.766 1.011 1 1 20 . 15 1 1 A 3 3 SER CA C 3 58.141 57.437 0.704 1 1 21 . 15 1 1 A 3 3 SER CB C 3 63.359 65.851 -2.492 1 1 22 . 15 1 1 A 3 3 SER N N 3 117.604 112.586 5.018 1 1 23 . 15 1 1 A 4 4 GLY H H 4 8.603 8.642 -0.039 1 1 24 . 15 1 1 A 4 4 GLY HA2 H 4 4.130 4.105 0.025 1 1 25 . 15 1 1 A 4 4 GLY HA3 H 4 4.076 4.114 -0.038 1 1 26 . 15 1 1 A 4 4 GLY C C 4 174.283 172.804 1.479 1 1 27 . 15 1 1 A 4 4 GLY CA C 4 45.054 44.785 0.269 1 1 28 . 15 1 1 A 4 4 GLY N N 4 111.842 111.005 0.837 1 1 29 . 15 1 1 A 5 5 THR H H 5 8.140 9.119 -0.979 1 1 30 . 15 1 1 A 5 5 THR HA H 5 4.371 4.729 -0.358 1 1 35 . 15 1 1 A 5 5 THR C C 5 174.827 172.874 1.953 1 1 36 . 15 1 1 A 5 5 THR CA C 5 61.515 61.124 0.391 1 1 37 . 15 1 1 A 5 5 THR CB C 5 69.683 71.734 -2.051 1 1 39 . 15 1 1 A 5 5 THR N N 5 112.188 113.047 -0.859 1 1 40 . 15 1 1 A 6 6 GLY H H 6 8.425 8.501 -0.076 1 1 41 . 15 1 1 A 6 6 GLY HA2 H 6 4.109 4.211 -0.102 1 1 42 . 15 1 1 A 6 6 GLY HA3 H 6 3.875 4.358 -0.483 1 1 43 . 15 1 1 A 6 6 GLY C C 6 173.670 175.064 -1.394 1 1 44 . 15 1 1 A 6 6 GLY CA C 6 44.466 45.940 -1.474 1 1 45 . 15 1 1 A 6 6 GLY N N 6 110.955 111.199 -0.244 1 1 46 . 15 1 1 A 7 7 LEU H H 7 7.993 8.556 -0.563 1 1 47 . 15 1 1 A 7 7 LEU HA H 7 4.503 4.004 0.499 1 1 53 . 15 1 1 A 7 7 LEU C C 7 177.284 176.876 0.408 1 1 54 . 15 1 1 A 7 7 LEU CA C 7 54.741 56.748 -2.007 1 1 55 . 15 1 1 A 7 7 LEU CB C 7 39.284 42.018 -2.734 1 1 58 . 15 1 1 A 7 7 LEU N N 7 121.268 120.737 0.531 1 1 59 . 15 1 1 A 8 8 THR H H 8 10.385 7.316 3.069 1 1 60 . 15 1 1 A 8 8 THR HA H 8 4.521 3.721 0.800 1 1 65 . 15 1 1 A 8 8 THR C C 8 176.965 174.185 2.780 1 1 66 . 15 1 1 A 8 8 THR CA C 8 64.563 60.790 3.773 1 1 67 . 15 1 1 A 8 8 THR CB C 8 71.946 69.640 2.306 1 1 69 . 15 1 1 A 8 8 THR N N 8 113.472 110.158 3.314 1 1 70 . 15 1 1 A 9 9 GLY H H 9 9.733 7.811 1.922 1 1 71 . 15 1 1 A 9 9 GLY HA2 H 9 4.391 3.696 0.695 1 1 72 . 15 1 1 A 9 9 GLY HA3 H 9 3.805 3.906 -0.101 1 1 73 . 15 1 1 A 9 9 GLY C C 9 173.133 174.183 -1.050 1 1 74 . 15 1 1 A 9 9 GLY CA C 9 45.453 46.765 -1.312 1 1 75 . 15 1 1 A 9 9 GLY N N 9 114.948 108.535 6.413 1 1 76 . 15 1 1 A 10 10 ASN H H 10 7.664 8.039 -0.375 1 1 77 . 15 1 1 A 10 10 ASN HA H 10 4.906 4.622 0.284 1 1 82 . 15 1 1 A 10 10 ASN C C 10 173.098 174.012 -0.914 1 1 83 . 15 1 1 A 10 10 ASN CA C 10 51.504 53.032 -1.528 1 1 84 . 15 1 1 A 10 10 ASN CB C 10 38.449 39.974 -1.525 1 1 85 . 15 1 1 A 10 10 ASN N N 10 120.991 118.134 2.857 1 1 87 . 15 1 1 A 11 11 TYR H H 11 8.892 8.377 0.515 1 1 88 . 15 1 1 A 11 11 TYR HA H 11 3.767 4.875 -1.108 1 1 91 . 15 1 1 A 11 11 TYR C C 11 177.871 176.083 1.788 1 1 92 . 15 1 1 A 11 11 TYR CA C 11 61.897 57.751 4.146 1 1 93 . 15 1 1 A 11 11 TYR CB C 11 38.099 39.830 -1.731 1 1 94 . 15 1 1 A 11 11 TYR N N 11 128.653 117.489 11.164 1 1 95 . 15 1 1 A 12 12 SER H H 12 8.729 8.682 0.047 1 1 96 . 15 1 1 A 12 12 SER HA H 12 3.747 4.609 -0.862 1 1 99 . 15 1 1 A 12 12 SER C C 12 174.675 176.560 -1.885 1 1 100 . 15 1 1 A 12 12 SER CA C 12 62.371 61.149 1.222 1 1 101 . 15 1 1 A 12 12 SER CB C 12 61.600 62.787 -1.187 1 1 102 . 15 1 1 A 12 12 SER N N 12 119.446 118.026 1.420 1 1 103 . 15 1 1 A 13 13 GLN H H 13 7.645 7.603 0.042 1 1 104 . 15 1 1 A 13 13 GLN HA H 13 3.955 4.189 -0.234 1 1 110 . 15 1 1 A 13 13 GLN C C 13 178.400 177.922 0.478 1 1 111 . 15 1 1 A 13 13 GLN CA C 13 58.083 58.538 -0.455 1 1 112 . 15 1 1 A 13 13 GLN CB C 13 28.328 29.067 -0.739 1 1 114 . 15 1 1 A 13 13 GLN N N 13 121.234 120.535 0.699 1 1 116 . 15 1 1 A 14 14 ASP H H 14 9.314 8.223 1.091 1 1 117 . 15 1 1 A 14 14 ASP HA H 14 4.513 4.336 0.177 1 1 120 . 15 1 1 A 14 14 ASP C C 14 177.320 178.299 -0.979 1 1 121 . 15 1 1 A 14 14 ASP CA C 14 56.778 56.786 -0.008 1 1 122 . 15 1 1 A 14 14 ASP CB C 14 40.380 41.383 -1.003 1 1 123 . 15 1 1 A 14 14 ASP N N 14 120.095 120.622 -0.527 1 1 124 . 15 1 1 A 15 15 THR H H 15 8.283 7.737 0.546 1 1 125 . 15 1 1 A 15 15 THR HA H 15 3.637 3.859 -0.222 1 1 130 . 15 1 1 A 15 15 THR C C 15 174.455 176.510 -2.055 1 1 131 . 15 1 1 A 15 15 THR CA C 15 67.657 67.241 0.416 1 1 132 . 15 1 1 A 15 15 THR CB C 15 67.465 68.108 -0.643 1 1 134 . 15 1 1 A 15 15 THR N N 15 117.657 115.895 1.762 1 1 135 . 15 1 1 A 16 16 LEU H H 16 7.452 8.228 -0.776 1 1 136 . 15 1 1 A 16 16 LEU HA H 16 3.919 3.946 -0.027 1 1 140 . 15 1 1 A 16 16 LEU C C 16 179.666 179.173 0.493 1 1 141 . 15 1 1 A 16 16 LEU CA C 16 57.864 58.007 -0.143 1 1 142 . 15 1 1 A 16 16 LEU CB C 16 39.811 41.627 -1.816 1 1 144 . 15 1 1 A 16 16 LEU N N 16 120.034 120.588 -0.554 1 1 145 . 15 1 1 A 17 17 THR H H 17 8.708 7.510 1.198 1 1 146 . 15 1 1 A 17 17 THR HA H 17 3.893 3.952 -0.059 1 1 151 . 15 1 1 A 17 17 THR C C 17 179.666 176.568 3.098 1 1 152 . 15 1 1 A 17 17 THR CA C 17 66.152 66.817 -0.665 1 1 153 . 15 1 1 A 17 17 THR CB C 17 67.921 68.406 -0.485 1 1 155 . 15 1 1 A 17 17 THR N N 17 121.382 115.975 5.407 1 1 156 . 15 1 1 A 18 18 VAL H H 18 8.194 8.459 -0.265 1 1 157 . 15 1 1 A 18 18 VAL HA H 18 3.705 3.503 0.202 1 1 165 . 15 1 1 A 18 18 VAL C C 18 177.242 178.003 -0.761 1 1 166 . 15 1 1 A 18 18 VAL CA C 18 65.886 67.159 -1.273 1 1 167 . 15 1 1 A 18 18 VAL CB C 18 30.729 31.628 -0.899 1 1 170 . 15 1 1 A 18 18 VAL N N 18 123.227 121.607 1.620 1 1 171 . 15 1 1 A 19 19 ILE H H 19 7.933 9.048 -1.115 1 1 172 . 15 1 1 A 19 19 ILE HA H 19 2.633 3.395 -0.762 1 1 182 . 15 1 1 A 19 19 ILE C C 19 176.276 177.794 -1.518 1 1 183 . 15 1 1 A 19 19 ILE CA C 19 66.137 65.753 0.384 1 1 184 . 15 1 1 A 19 19 ILE CB C 19 37.782 37.938 -0.156 1 1 188 . 15 1 1 A 19 19 ILE N N 19 119.786 119.570 0.216 1 1 189 . 15 1 1 A 20 20 ALA H H 20 7.782 8.481 -0.699 1 1 190 . 15 1 1 A 20 20 ALA HA H 20 3.972 3.942 0.030 1 1 194 . 15 1 1 A 20 20 ALA C C 20 180.867 179.626 1.241 1 1 195 . 15 1 1 A 20 20 ALA CA C 20 55.170 55.184 -0.014 1 1 196 . 15 1 1 A 20 20 ALA CB C 20 17.282 18.517 -1.235 1 1 197 . 15 1 1 A 20 20 ALA N N 20 121.793 122.376 -0.583 1 1 198 . 15 1 1 A 21 21 THR H H 21 8.573 7.455 1.118 1 1 199 . 15 1 1 A 21 21 THR HA H 21 3.902 3.907 -0.005 1 1 204 . 15 1 1 A 21 21 THR C C 21 176.720 176.903 -0.183 1 1 205 . 15 1 1 A 21 21 THR CA C 21 65.200 66.194 -0.994 1 1 206 . 15 1 1 A 21 21 THR CB C 21 68.092 68.256 -0.164 1 1 208 . 15 1 1 A 21 21 THR N N 21 118.393 114.480 3.913 1 1 209 . 15 1 1 A 22 22 LEU H H 22 8.583 7.619 0.964 1 1 210 . 15 1 1 A 22 22 LEU HA H 22 4.065 3.910 0.155 1 1 217 . 15 1 1 A 22 22 LEU C C 22 178.284 178.911 -0.627 1 1 218 . 15 1 1 A 22 22 LEU CA C 22 57.005 57.407 -0.402 1 1 219 . 15 1 1 A 22 22 LEU CB C 22 40.209 41.323 -1.114 1 1 223 . 15 1 1 A 22 22 LEU N N 22 122.517 121.905 0.612 1 1 224 . 15 1 1 A 23 23 ARG H H 23 8.858 8.258 0.600 1 1 225 . 15 1 1 A 23 23 ARG HA H 23 3.873 3.672 0.201 1 1 230 . 15 1 1 A 23 23 ARG C C 23 178.503 178.806 -0.303 1 1 231 . 15 1 1 A 23 23 ARG CA C 23 60.362 59.043 1.319 1 1 232 . 15 1 1 A 23 23 ARG CB C 23 29.808 29.254 0.554 1 1 235 . 15 1 1 A 23 23 ARG N N 23 120.502 118.200 2.302 1 1 237 . 15 1 1 A 24 24 GLU H H 24 7.250 7.939 -0.689 1 1 238 . 15 1 1 A 24 24 GLU HA H 24 4.109 4.056 0.053 1 1 243 . 15 1 1 A 24 24 GLU CA C 24 58.312 59.076 -0.764 1 1 244 . 15 1 1 A 24 24 GLU CB C 24 29.024 29.000 0.024 1 1 246 . 15 1 1 A 24 24 GLU N N 24 117.221 119.202 -1.981 1 1 247 . 15 1 1 A 25 25 ALA H H 25 8.223 8.090 0.133 1 1 248 . 15 1 1 A 25 25 ALA HA H 25 3.983 4.073 -0.090 1 1 252 . 15 1 1 A 25 25 ALA C C 25 180.617 179.662 0.955 1 1 253 . 15 1 1 A 25 25 ALA CA C 25 55.203 55.181 0.022 1 1 254 . 15 1 1 A 25 25 ALA CB C 25 17.657 18.599 -0.942 1 1 255 . 15 1 1 A 25 25 ALA N N 25 121.823 122.059 -0.236 1 1 256 . 15 1 1 A 26 26 ILE H H 26 8.552 7.718 0.834 1 1 257 . 15 1 1 A 26 26 ILE HA H 26 4.144 3.881 0.263 1 1 267 . 15 1 1 A 26 26 ILE C C 26 175.586 176.695 -1.109 1 1 268 . 15 1 1 A 26 26 ILE CA C 26 63.790 63.208 0.582 1 1 269 . 15 1 1 A 26 26 ILE CB C 26 37.496 37.543 -0.047 1 1 273 . 15 1 1 A 26 26 ILE N N 26 112.838 118.533 -5.695 1 1 274 . 15 1 1 A 27 27 ASP H H 27 7.175 7.881 -0.706 1 1 275 . 15 1 1 A 27 27 ASP HA H 27 4.934 4.845 0.089 1 1 278 . 15 1 1 A 27 27 ASP C C 27 175.602 175.666 -0.064 1 1 279 . 15 1 1 A 27 27 ASP CA C 27 53.160 53.063 0.097 1 1 280 . 15 1 1 A 27 27 ASP CB C 27 41.754 41.494 0.260 1 1 281 . 15 1 1 A 27 27 ASP N N 27 120.840 120.512 0.328 1 1 282 . 15 1 1 A 28 28 LEU H H 28 7.136 7.338 -0.202 1 1 283 . 15 1 1 A 28 28 LEU HA H 28 4.510 4.407 0.103 1 1 290 . 15 1 1 A 28 28 LEU CA C 28 53.379 53.664 -0.285 1 1 291 . 15 1 1 A 28 28 LEU CB C 28 42.286 41.249 1.037 1 1 294 . 15 1 1 A 28 28 LEU N N 28 124.155 122.106 2.049 1 1 295 . 15 1 1 A 29 29 PRO HA H 29 4.552 4.512 0.040 1 1 301 . 15 1 1 A 29 29 PRO C C 29 177.414 177.336 0.078 1 1 302 . 15 1 1 A 29 29 PRO CA C 29 62.506 62.739 -0.233 1 1 303 . 15 1 1 A 29 29 PRO CB C 29 32.263 32.527 -0.264 1 1 305 . 15 1 1 A 30 30 GLN H H 30 8.935 8.565 0.370 1 1 306 . 15 1 1 A 30 30 GLN HA H 30 3.966 4.033 -0.067 1 1 311 . 15 1 1 A 30 30 GLN C C 30 175.595 176.684 -1.089 1 1 312 . 15 1 1 A 30 30 GLN CA C 30 58.036 58.387 -0.351 1 1 313 . 15 1 1 A 30 30 GLN CB C 30 28.116 28.462 -0.346 1 1 315 . 15 1 1 A 30 30 GLN N N 30 122.119 121.283 0.836 1 1 317 . 15 1 1 A 31 31 ASP H H 31 8.353 7.874 0.479 1 1 318 . 15 1 1 A 31 31 ASP HA H 31 4.682 4.571 0.111 1 1 321 . 15 1 1 A 31 31 ASP C C 31 175.518 175.989 -0.471 1 1 322 . 15 1 1 A 31 31 ASP CA C 31 52.178 55.072 -2.894 1 1 323 . 15 1 1 A 31 31 ASP CB C 31 39.270 41.052 -1.782 1 1 324 . 15 1 1 A 31 31 ASP N N 31 115.909 117.955 -2.046 1 1 325 . 15 1 1 A 32 32 ALA H H 32 7.467 8.392 -0.925 1 1 326 . 15 1 1 A 32 32 ALA HA H 32 4.564 4.788 -0.224 1 1 330 . 15 1 1 A 32 32 ALA CA C 32 50.496 50.107 0.389 1 1 331 . 15 1 1 A 32 32 ALA CB C 32 17.852 19.053 -1.201 1 1 332 . 15 1 1 A 32 32 ALA N N 32 124.893 122.089 2.804 1 1 333 . 15 1 1 A 33 33 PRO HA H 33 4.494 4.462 0.032 1 1 339 . 15 1 1 A 33 33 PRO C C 33 176.278 177.037 -0.759 1 1 340 . 15 1 1 A 33 33 PRO CA C 33 63.894 64.308 -0.414 1 1 341 . 15 1 1 A 33 33 PRO CB C 33 31.354 31.969 -0.615 1 1 344 . 15 1 1 A 34 34 ASN H H 34 8.577 8.682 -0.105 1 1 345 . 15 1 1 A 34 34 ASN HA H 34 5.041 5.008 0.033 1 1 350 . 15 1 1 A 34 34 ASN C C 34 174.678 176.140 -1.462 1 1 351 . 15 1 1 A 34 34 ASN CA C 34 51.792 52.952 -1.160 1 1 352 . 15 1 1 A 34 34 ASN CB C 34 36.334 39.324 -2.990 1 1 353 . 15 1 1 A 34 34 ASN N N 34 115.598 117.604 -2.006 1 1 355 . 15 1 1 A 35 35 ARG H H 35 7.401 8.324 -0.923 1 1 356 . 15 1 1 A 35 35 ARG HA H 35 3.726 4.117 -0.391 1 1 363 . 15 1 1 A 35 35 ARG C C 35 176.887 178.527 -1.640 1 1 364 . 15 1 1 A 35 35 ARG CA C 35 60.063 59.051 1.012 1 1 365 . 15 1 1 A 35 35 ARG CB C 35 29.571 29.571 0.000 1 1 368 . 15 1 1 A 35 35 ARG N N 35 119.690 119.529 0.161 1 1 370 . 15 1 1 A 36 36 GLN H H 36 8.780 8.032 0.748 1 1 371 . 15 1 1 A 36 36 GLN HA H 36 3.805 4.270 -0.465 1 1 377 . 15 1 1 A 36 36 GLN CA C 36 58.618 59.295 -0.677 1 1 378 . 15 1 1 A 36 36 GLN CB C 36 27.595 28.652 -1.057 1 1 380 . 15 1 1 A 36 36 GLN N N 36 119.100 119.950 -0.850 1 1 382 . 15 1 1 A 37 37 GLU H H 37 8.128 8.177 -0.049 1 1 383 . 15 1 1 A 37 37 GLU HA H 37 4.137 4.171 -0.034 1 1 387 . 15 1 1 A 37 37 GLU C C 37 179.222 179.136 0.086 1 1 388 . 15 1 1 A 37 37 GLU CA C 37 59.336 59.047 0.289 1 1 389 . 15 1 1 A 37 37 GLU CB C 37 28.781 30.074 -1.293 1 1 391 . 15 1 1 A 37 37 GLU N N 37 120.485 119.087 1.398 1 1 392 . 15 1 1 A 38 38 VAL H H 38 8.127 8.809 -0.682 1 1 393 . 15 1 1 A 38 38 VAL HA H 38 3.708 3.679 0.029 1 1 401 . 15 1 1 A 38 38 VAL C C 38 178.246 178.232 0.014 1 1 402 . 15 1 1 A 38 38 VAL CA C 38 66.019 66.544 -0.525 1 1 403 . 15 1 1 A 38 38 VAL CB C 38 31.008 31.655 -0.647 1 1 406 . 15 1 1 A 38 38 VAL N N 38 121.937 121.138 0.799 1 1 407 . 15 1 1 A 39 39 GLN H H 39 8.324 8.052 0.272 1 1 408 . 15 1 1 A 39 39 GLN HA H 39 3.764 4.027 -0.263 1 1 415 . 15 1 1 A 39 39 GLN C C 39 177.642 177.802 -0.160 1 1 416 . 15 1 1 A 39 39 GLN CA C 39 59.019 58.819 0.200 1 1 417 . 15 1 1 A 39 39 GLN CB C 39 27.176 28.584 -1.408 1 1 419 . 15 1 1 A 39 39 GLN N N 39 120.203 120.135 0.068 1 1 421 . 15 1 1 A 40 40 ASP H H 40 8.699 8.408 0.291 1 1 422 . 15 1 1 A 40 40 ASP HA H 40 4.391 4.248 0.143 1 1 425 . 15 1 1 A 40 40 ASP C C 40 179.726 178.695 1.031 1 1 426 . 15 1 1 A 40 40 ASP CA C 40 57.267 57.451 -0.184 1 1 427 . 15 1 1 A 40 40 ASP CB C 40 39.458 41.697 -2.239 1 1 428 . 15 1 1 A 40 40 ASP N N 40 121.604 119.922 1.682 1 1 429 . 15 1 1 A 41 41 THR H H 41 8.449 7.716 0.733 1 1 430 . 15 1 1 A 41 41 THR HA H 41 3.981 3.895 0.086 1 1 435 . 15 1 1 A 41 41 THR CA C 41 66.254 64.888 1.366 1 1 436 . 15 1 1 A 41 41 THR CB C 41 67.937 68.522 -0.585 1 1 437 . 15 1 1 A 41 41 THR N N 41 121.386 116.283 5.103 1 1 438 . 15 1 1 A 42 42 ALA H H 42 8.552 7.852 0.700 1 1 439 . 15 1 1 A 42 42 ALA HA H 42 3.876 4.116 -0.240 1 1 443 . 15 1 1 A 42 42 ALA C C 42 178.300 180.439 -2.139 1 1 444 . 15 1 1 A 42 42 ALA CA C 42 55.244 55.092 0.152 1 1 445 . 15 1 1 A 42 42 ALA CB C 42 17.295 18.190 -0.895 1 1 446 . 15 1 1 A 42 42 ALA N N 42 126.245 123.572 2.673 1 1 447 . 15 1 1 A 43 43 ARG H H 43 8.553 7.658 0.895 1 1 448 . 15 1 1 A 43 43 ARG HA H 43 3.923 4.005 -0.082 1 1 451 . 15 1 1 A 43 43 ARG C C 43 178.522 178.743 -0.221 1 1 452 . 15 1 1 A 43 43 ARG CA C 43 59.680 59.494 0.186 1 1 453 . 15 1 1 A 43 43 ARG CB C 43 29.887 29.641 0.246 1 1 454 . 15 1 1 A 43 43 ARG N N 43 117.705 119.638 -1.933 1 1 455 . 15 1 1 A 44 44 GLY H H 44 8.049 8.003 0.046 1 1 456 . 15 1 1 A 44 44 GLY HA2 H 44 4.066 3.770 0.296 1 1 457 . 15 1 1 A 44 44 GLY HA3 H 44 3.972 3.770 0.202 1 1 458 . 15 1 1 A 44 44 GLY CA C 44 46.710 47.571 -0.861 1 1 459 . 15 1 1 A 44 44 GLY N N 44 106.443 106.887 -0.444 1 1 460 . 15 1 1 A 45 45 GLN H H 45 8.305 7.853 0.452 1 1 461 . 15 1 1 A 45 45 GLN HA H 45 4.204 4.078 0.126 1 1 466 . 15 1 1 A 45 45 GLN C C 45 177.942 178.748 -0.806 1 1 467 . 15 1 1 A 45 45 GLN CA C 45 59.930 58.636 1.294 1 1 468 . 15 1 1 A 45 45 GLN CB C 45 28.520 28.399 0.121 1 1 470 . 15 1 1 A 45 45 GLN N N 45 123.780 121.511 2.269 1 1 472 . 15 1 1 A 46 46 ILE H H 46 8.673 7.495 1.178 1 1 473 . 15 1 1 A 46 46 ILE HA H 46 3.594 3.698 -0.104 1 1 483 . 15 1 1 A 46 46 ILE C C 46 176.649 178.064 -1.415 1 1 484 . 15 1 1 A 46 46 ILE CA C 46 66.299 65.415 0.884 1 1 485 . 15 1 1 A 46 46 ILE CB C 46 37.762 37.367 0.395 1 1 489 . 15 1 1 A 46 46 ILE N N 46 120.050 121.090 -1.040 1 1 490 . 15 1 1 A 47 47 ASN H H 47 7.866 8.746 -0.880 1 1 491 . 15 1 1 A 47 47 ASN HA H 47 4.525 4.418 0.107 1 1 495 . 15 1 1 A 47 47 ASN C C 47 176.649 177.290 -0.641 1 1 496 . 15 1 1 A 47 47 ASN CA C 47 55.703 56.577 -0.874 1 1 497 . 15 1 1 A 47 47 ASN CB C 47 37.925 37.841 0.084 1 1 498 . 15 1 1 A 47 47 ASN N N 47 116.444 119.003 -2.559 1 1 500 . 15 1 1 A 48 48 ASP H H 48 8.185 7.800 0.385 1 1 501 . 15 1 1 A 48 48 ASP HA H 48 4.460 4.382 0.078 1 1 504 . 15 1 1 A 48 48 ASP C C 48 176.285 178.149 -1.864 1 1 505 . 15 1 1 A 48 48 ASP CA C 48 56.635 57.224 -0.589 1 1 506 . 15 1 1 A 48 48 ASP CB C 48 41.593 41.172 0.421 1 1 507 . 15 1 1 A 48 48 ASP N N 48 121.725 119.755 1.970 1 1 508 . 15 1 1 A 49 49 TYR H H 49 8.756 8.640 0.116 1 1 509 . 15 1 1 A 49 49 TYR HA H 49 3.892 4.485 -0.593 1 1 512 . 15 1 1 A 49 49 TYR C C 49 176.432 177.087 -0.655 1 1 513 . 15 1 1 A 49 49 TYR CA C 49 62.617 61.392 1.225 1 1 514 . 15 1 1 A 49 49 TYR CB C 49 39.188 38.558 0.630 1 1 515 . 15 1 1 A 49 49 TYR N N 49 121.005 121.110 -0.105 1 1 516 . 15 1 1 A 50 50 ILE H H 50 8.481 9.138 -0.657 1 1 517 . 15 1 1 A 50 50 ILE HA H 50 3.901 4.025 -0.124 1 1 527 . 15 1 1 A 50 50 ILE C C 50 177.407 177.172 0.235 1 1 528 . 15 1 1 A 50 50 ILE CA C 50 63.893 63.788 0.105 1 1 529 . 15 1 1 A 50 50 ILE CB C 50 36.668 38.229 -1.561 1 1 533 . 15 1 1 A 50 50 ILE N N 50 117.237 119.740 -2.503 1 1 534 . 15 1 1 A 51 51 SER H H 51 7.870 8.093 -0.223 1 1 535 . 15 1 1 A 51 51 SER HA H 51 4.203 4.599 -0.396 1 1 538 . 15 1 1 A 51 51 SER C C 51 177.413 174.213 3.200 1 1 539 . 15 1 1 A 51 51 SER CA C 51 61.003 57.588 3.415 1 1 540 . 15 1 1 A 51 51 SER CB C 51 62.711 63.212 -0.501 1 1 541 . 15 1 1 A 51 51 SER N N 51 113.635 111.703 1.932 1 1 542 . 15 1 1 A 52 52 ARG H H 52 8.386 7.570 0.816 1 1 543 . 15 1 1 A 52 52 ARG HA H 52 3.816 4.304 -0.488 1 1 551 . 15 1 1 A 52 52 ARG C C 52 178.788 174.917 3.871 1 1 552 . 15 1 1 A 52 52 ARG CA C 52 58.343 57.069 1.274 1 1 553 . 15 1 1 A 52 52 ARG CB C 52 30.053 32.292 -2.239 1 1 556 . 15 1 1 A 52 52 ARG N N 52 120.787 118.630 2.157 1 1 558 . 15 1 1 A 53 53 TYR H H 53 7.428 8.941 -1.513 1 1 559 . 15 1 1 A 53 53 TYR HA H 53 4.667 4.817 -0.150 1 1 562 . 15 1 1 A 53 53 TYR C C 53 174.743 175.408 -0.665 1 1 563 . 15 1 1 A 53 53 TYR CA C 53 57.922 55.832 2.090 1 1 564 . 15 1 1 A 53 53 TYR CB C 53 38.030 37.722 0.308 1 1 565 . 15 1 1 A 53 53 TYR N N 53 115.269 117.145 -1.876 1 1 566 . 15 1 1 A 54 54 ARG H H 54 7.775 7.869 -0.094 1 1 567 . 15 1 1 A 54 54 ARG HA H 54 4.249 3.283 0.966 1 1 570 . 15 1 1 A 54 54 ARG C C 54 177.121 175.611 1.510 1 1 571 . 15 1 1 A 54 54 ARG CA C 54 58.720 57.797 0.923 1 1 572 . 15 1 1 A 54 54 ARG CB C 54 29.345 31.044 -1.699 1 1 573 . 15 1 1 A 54 54 ARG N N 54 120.518 122.692 -2.174 1 1 574 . 15 1 1 A 55 55 ARG H H 55 8.319 7.737 0.582 1 1 575 . 15 1 1 A 55 55 ARG HA H 55 4.249 3.947 0.302 1 1 577 . 15 1 1 A 55 55 ARG C C 55 177.395 176.574 0.821 1 1 578 . 15 1 1 A 55 55 ARG CA C 55 56.766 56.647 0.119 1 1 579 . 15 1 1 A 55 55 ARG CB C 55 29.231 28.838 0.393 1 1 580 . 15 1 1 A 55 55 ARG N N 55 119.094 118.988 0.106 1 1 581 . 15 1 1 A 56 56 LYS H H 56 8.062 8.196 -0.134 1 1 582 . 15 1 1 A 56 56 LYS HA H 56 4.069 4.402 -0.333 1 1 588 . 15 1 1 A 56 56 LYS C C 56 177.177 177.540 -0.363 1 1 589 . 15 1 1 A 56 56 LYS CA C 56 56.740 55.791 0.949 1 1 590 . 15 1 1 A 56 56 LYS CB C 56 31.291 32.746 -1.455 1 1 594 . 15 1 1 A 56 56 LYS N N 56 121.271 122.545 -1.274 1 1 595 . 15 1 1 A 57 57 GLY H H 57 8.138 7.716 0.422 1 1 596 . 15 1 1 A 57 57 GLY HA2 H 57 4.055 4.068 -0.013 1 1 597 . 15 1 1 A 57 57 GLY HA3 H 57 3.766 4.110 -0.344 1 1 598 . 15 1 1 A 57 57 GLY C C 57 174.196 174.249 -0.053 1 1 599 . 15 1 1 A 57 57 GLY CA C 57 45.336 45.250 0.086 1 1 600 . 15 1 1 A 57 57 GLY N N 57 108.747 108.753 -0.006 1 1 601 . 15 1 1 A 58 58 ASP H H 58 7.937 8.285 -0.348 1 1 602 . 15 1 1 A 58 58 ASP HA H 58 4.571 4.310 0.261 1 1 604 . 15 1 1 A 58 58 ASP CA C 58 54.548 54.794 -0.246 1 1 605 . 15 1 1 A 58 58 ASP CB C 58 40.254 39.221 1.033 1 1 606 . 15 1 1 A 58 58 ASP N N 58 121.456 120.398 1.058 1 1 607 . 15 1 1 A 59 59 ALA H H 59 8.150 8.243 -0.093 1 1 608 . 15 1 1 A 59 59 ALA HA H 59 4.178 4.495 -0.317 1 1 612 . 15 1 1 A 59 59 ALA C C 59 177.927 177.583 0.344 1 1 613 . 15 1 1 A 59 59 ALA CA C 59 52.751 51.427 1.324 1 1 614 . 15 1 1 A 59 59 ALA CB C 59 18.062 20.611 -2.549 1 1 615 . 15 1 1 A 59 59 ALA N N 59 123.316 125.052 -1.736 1 1 616 . 15 1 1 A 60 60 GLY H H 60 8.190 7.888 0.302 1 1 617 . 15 1 1 A 60 60 GLY HA2 H 60 3.954 4.025 -0.071 1 1 618 . 15 1 1 A 60 60 GLY HA3 H 60 3.962 4.027 -0.065 1 1 619 . 15 1 1 A 60 60 GLY C C 60 174.572 175.052 -0.480 1 1 620 . 15 1 1 A 60 60 GLY CA C 60 45.301 44.920 0.381 1 1 621 . 15 1 1 A 60 60 GLY N N 60 107.588 106.315 1.273 1 1 622 . 15 1 1 A 61 61 GLY H H 61 8.014 8.613 -0.599 1 1 623 . 15 1 1 A 61 61 GLY HA2 H 61 4.068 4.141 -0.073 1 1 624 . 15 1 1 A 61 61 GLY HA3 H 61 3.882 4.143 -0.261 1 1 625 . 15 1 1 A 61 61 GLY C C 61 173.560 173.342 0.218 1 1 626 . 15 1 1 A 61 61 GLY CA C 61 44.784 44.815 -0.031 1 1 627 . 15 1 1 A 61 61 GLY N N 61 108.839 108.271 0.568 1 1 628 . 15 1 1 A 62 62 LEU H H 62 8.038 8.746 -0.708 1 1 629 . 15 1 1 A 62 62 LEU HA H 62 4.528 4.790 -0.262 1 1 636 . 15 1 1 A 62 62 LEU C C 62 177.058 177.934 -0.876 1 1 637 . 15 1 1 A 62 62 LEU CA C 62 54.038 53.417 0.621 1 1 638 . 15 1 1 A 62 62 LEU CB C 62 42.254 43.685 -1.431 1 1 641 . 15 1 1 A 62 62 LEU N N 62 122.191 122.226 -0.035 1 1 642 . 15 1 1 A 63 63 LYS H H 63 9.378 8.703 0.675 1 1 643 . 15 1 1 A 63 63 LYS HA H 63 4.223 4.114 0.109 1 1 647 . 15 1 1 A 63 63 LYS C C 63 179.928 178.908 1.020 1 1 648 . 15 1 1 A 63 63 LYS CA C 63 58.665 59.055 -0.390 1 1 649 . 15 1 1 A 63 63 LYS CB C 63 31.663 32.462 -0.799 1 1 651 . 15 1 1 A 63 63 LYS N N 63 129.582 123.214 6.368 1 1 652 . 15 1 1 A 64 64 SER H H 64 10.250 7.960 2.290 1 1 653 . 15 1 1 A 64 64 SER HA H 64 4.169 4.365 -0.196 1 1 656 . 15 1 1 A 64 64 SER C C 64 175.569 176.779 -1.210 1 1 657 . 15 1 1 A 64 64 SER CA C 64 61.010 61.243 -0.233 1 1 658 . 15 1 1 A 64 64 SER N N 64 117.647 115.274 2.373 1 1 659 . 15 1 1 A 65 65 PHE H H 65 7.035 8.063 -1.028 1 1 660 . 15 1 1 A 65 65 PHE HA H 65 4.444 4.230 0.214 1 1 663 . 15 1 1 A 65 65 PHE C C 65 176.884 176.782 0.102 1 1 664 . 15 1 1 A 65 65 PHE CA C 65 61.911 61.604 0.307 1 1 665 . 15 1 1 A 65 65 PHE CB C 65 38.861 39.381 -0.520 1 1 666 . 15 1 1 A 65 65 PHE N N 65 123.056 122.723 0.333 1 1 667 . 15 1 1 A 66 66 THR H H 66 8.475 7.978 0.497 1 1 668 . 15 1 1 A 66 66 THR HA H 66 3.932 3.735 0.197 1 1 673 . 15 1 1 A 66 66 THR C C 66 176.884 176.581 0.303 1 1 674 . 15 1 1 A 66 66 THR CA C 66 66.236 66.393 -0.157 1 1 675 . 15 1 1 A 66 66 THR CB C 66 67.993 68.312 -0.319 1 1 677 . 15 1 1 A 66 66 THR N N 66 115.996 115.023 0.973 1 1 678 . 15 1 1 A 67 67 THR H H 67 8.100 7.874 0.226 1 1 679 . 15 1 1 A 67 67 THR HA H 67 3.979 4.202 -0.223 1 1 684 . 15 1 1 A 67 67 THR CA C 67 66.516 66.192 0.324 1 1 685 . 15 1 1 A 67 67 THR CB C 67 68.188 68.447 -0.259 1 1 687 . 15 1 1 A 67 67 THR N N 67 120.365 116.184 4.181 1 1 688 . 15 1 1 A 68 68 MET H H 68 8.134 7.848 0.286 1 1 689 . 15 1 1 A 68 68 MET HA H 68 4.429 3.984 0.445 1 1 697 . 15 1 1 A 68 68 MET C C 68 177.682 178.653 -0.971 1 1 698 . 15 1 1 A 68 68 MET CA C 68 56.239 59.039 -2.800 1 1 699 . 15 1 1 A 68 68 MET CB C 68 30.516 32.389 -1.873 1 1 702 . 15 1 1 A 68 68 MET N N 68 120.545 119.110 1.435 1 1 703 . 15 1 1 A 69 69 GLN H H 69 9.139 6.902 2.237 1 1 704 . 15 1 1 A 69 69 GLN HA H 69 3.694 4.139 -0.445 1 1 711 . 15 1 1 A 69 69 GLN C C 69 177.433 178.264 -0.831 1 1 712 . 15 1 1 A 69 69 GLN CA C 69 59.779 58.103 1.676 1 1 713 . 15 1 1 A 69 69 GLN CB C 69 28.547 27.938 0.609 1 1 715 . 15 1 1 A 69 69 GLN N N 69 120.358 118.669 1.689 1 1 717 . 15 1 1 A 70 70 THR H H 70 7.809 8.034 -0.225 1 1 718 . 15 1 1 A 70 70 THR HA H 70 3.979 3.962 0.017 1 1 723 . 15 1 1 A 70 70 THR C C 70 176.394 176.304 0.090 1 1 724 . 15 1 1 A 70 70 THR CA C 70 66.028 66.443 -0.415 1 1 725 . 15 1 1 A 70 70 THR CB C 70 68.198 69.034 -0.836 1 1 727 . 15 1 1 A 70 70 THR N N 70 116.198 116.911 -0.713 1 1 728 . 15 1 1 A 71 71 ALA H H 71 7.859 8.578 -0.719 1 1 729 . 15 1 1 A 71 71 ALA HA H 71 3.994 4.261 -0.267 1 1 733 . 15 1 1 A 71 71 ALA CA C 71 54.902 55.008 -0.106 1 1 734 . 15 1 1 A 71 71 ALA CB C 71 17.926 18.410 -0.484 1 1 735 . 15 1 1 A 71 71 ALA N N 71 126.667 124.183 2.484 1 1 736 . 15 1 1 A 72 72 LEU H H 72 9.261 7.969 1.292 1 1 737 . 15 1 1 A 72 72 LEU HA H 72 3.915 4.145 -0.230 1 1 743 . 15 1 1 A 72 72 LEU C C 72 179.219 178.617 0.602 1 1 744 . 15 1 1 A 72 72 LEU CA C 72 58.406 58.185 0.221 1 1 745 . 15 1 1 A 72 72 LEU CB C 72 38.744 41.516 -2.772 1 1 747 . 15 1 1 A 72 72 LEU N N 72 119.657 120.687 -1.030 1 1 748 . 15 1 1 A 73 73 ASN H H 73 8.542 7.782 0.760 1 1 749 . 15 1 1 A 73 73 ASN HA H 73 4.606 4.512 0.094 1 1 754 . 15 1 1 A 73 73 ASN CA C 73 55.711 55.781 -0.070 1 1 755 . 15 1 1 A 73 73 ASN CB C 73 37.398 37.940 -0.542 1 1 756 . 15 1 1 A 73 73 ASN N N 73 118.851 116.728 2.123 1 1 758 . 15 1 1 A 74 74 SER H H 74 7.849 7.739 0.110 1 1 759 . 15 1 1 A 74 74 SER HA H 74 4.379 4.096 0.283 1 1 762 . 15 1 1 A 74 74 SER C C 74 175.881 176.776 -0.895 1 1 763 . 15 1 1 A 74 74 SER CA C 74 61.405 62.402 -0.997 1 1 764 . 15 1 1 A 74 74 SER N N 74 118.042 118.170 -0.128 1 1 765 . 15 1 1 A 75 75 LEU H H 75 8.084 8.488 -0.404 1 1 766 . 15 1 1 A 75 75 LEU HA H 75 4.181 4.013 0.168 1 1 773 . 15 1 1 A 75 75 LEU C C 75 176.899 178.772 -1.873 1 1 774 . 15 1 1 A 75 75 LEU CA C 75 56.746 57.867 -1.121 1 1 775 . 15 1 1 A 75 75 LEU CB C 75 41.896 41.612 0.284 1 1 777 . 15 1 1 A 75 75 LEU N N 75 124.099 119.278 4.821 1 1 778 . 15 1 1 A 76 76 ALA H H 76 8.695 8.532 0.163 1 1 779 . 15 1 1 A 76 76 ALA HA H 76 4.134 4.165 -0.031 1 1 783 . 15 1 1 A 76 76 ALA C C 76 180.159 180.479 -0.320 1 1 784 . 15 1 1 A 76 76 ALA CA C 76 55.315 55.630 -0.315 1 1 785 . 15 1 1 A 76 76 ALA CB C 76 17.624 18.168 -0.544 1 1 786 . 15 1 1 A 76 76 ALA N N 76 121.934 121.933 0.001 1 1 787 . 15 1 1 A 77 77 GLY H H 77 8.198 8.012 0.186 1 1 788 . 15 1 1 A 77 77 GLY HA2 H 77 3.917 3.709 0.208 1 1 789 . 15 1 1 A 77 77 GLY HA3 H 77 3.925 3.783 0.142 1 1 790 . 15 1 1 A 77 77 GLY C C 77 175.177 175.644 -0.467 1 1 791 . 15 1 1 A 77 77 GLY CA C 77 46.066 47.389 -1.323 1 1 792 . 15 1 1 A 77 77 GLY N N 77 105.613 107.049 -1.436 1 1 793 . 15 1 1 A 78 78 TYR H H 78 7.973 8.266 -0.293 1 1 794 . 15 1 1 A 78 78 TYR HA H 78 4.326 4.109 0.217 1 1 797 . 15 1 1 A 78 78 TYR C C 78 176.705 177.841 -1.136 1 1 798 . 15 1 1 A 78 78 TYR CA C 78 61.280 60.650 0.630 1 1 799 . 15 1 1 A 78 78 TYR CB C 78 37.737 38.900 -1.163 1 1 800 . 15 1 1 A 78 78 TYR N N 78 123.680 123.646 0.034 1 1 801 . 15 1 1 A 79 79 TYR H H 79 8.347 8.156 0.191 1 1 802 . 15 1 1 A 79 79 TYR HA H 79 4.750 4.445 0.305 1 1 805 . 15 1 1 A 79 79 TYR C C 79 178.135 176.946 1.189 1 1 806 . 15 1 1 A 79 79 TYR CA C 79 57.389 59.767 -2.378 1 1 807 . 15 1 1 A 79 79 TYR CB C 79 36.796 38.989 -2.193 1 1 808 . 15 1 1 A 79 79 TYR N N 79 119.870 119.917 -0.047 1 1 809 . 15 1 1 A 80 80 THR H H 80 8.180 7.876 0.304 1 1 810 . 15 1 1 A 80 80 THR HA H 80 4.208 4.053 0.155 1 1 815 . 15 1 1 A 80 80 THR C C 80 175.302 173.773 1.529 1 1 816 . 15 1 1 A 80 80 THR CA C 80 64.276 60.704 3.572 1 1 817 . 15 1 1 A 80 80 THR CB C 80 69.098 66.789 2.309 1 1 819 . 15 1 1 A 80 80 THR N N 80 114.967 112.933 2.034 1 1 820 . 15 1 1 A 81 81 SER H H 81 8.027 7.943 0.084 1 1 821 . 15 1 1 A 81 81 SER HA H 81 4.214 4.071 0.143 1 1 824 . 15 1 1 A 81 81 SER C C 81 174.305 173.350 0.955 1 1 825 . 15 1 1 A 81 81 SER CA C 81 60.578 58.824 1.754 1 1 826 . 15 1 1 A 81 81 SER CB C 81 63.385 60.756 2.629 1 1 827 . 15 1 1 A 81 81 SER N N 81 116.664 114.753 1.911 1 1 828 . 15 1 1 A 82 82 TYR H H 82 8.396 7.968 0.428 1 1 829 . 15 1 1 A 82 82 TYR HA H 82 4.612 4.618 -0.006 1 1 832 . 15 1 1 A 82 82 TYR C C 82 176.069 175.878 0.191 1 1 833 . 15 1 1 A 82 82 TYR CA C 82 57.676 59.413 -1.737 1 1 834 . 15 1 1 A 82 82 TYR CB C 82 38.160 40.141 -1.981 1 1 835 . 15 1 1 A 82 82 TYR N N 82 119.325 120.838 -1.513 1 1 836 . 15 1 1 A 83 83 GLY H H 83 7.982 7.293 0.689 1 1 837 . 15 1 1 A 83 83 GLY HA2 H 83 4.021 4.012 0.009 1 1 838 . 15 1 1 A 83 83 GLY HA3 H 83 3.877 4.068 -0.191 1 1 839 . 15 1 1 A 83 83 GLY C C 83 178.820 172.400 6.420 1 1 840 . 15 1 1 A 83 83 GLY CA C 83 46.170 46.089 0.081 1 1 841 . 15 1 1 A 83 83 GLY N N 83 111.287 104.375 6.912 1 1 842 . 15 1 1 A 84 84 ALA H H 84 8.505 8.181 0.324 1 1 843 . 15 1 1 A 84 84 ALA HA H 84 4.619 4.471 0.148 1 1 847 . 15 1 1 A 84 84 ALA C C 84 176.933 177.188 -0.255 1 1 848 . 15 1 1 A 84 84 ALA CA C 84 51.514 51.279 0.235 1 1 849 . 15 1 1 A 84 84 ALA CB C 84 18.109 17.671 0.438 1 1 850 . 15 1 1 A 84 84 ALA N N 84 126.408 123.485 2.923 1 1 851 . 15 1 1 A 85 85 ARG H H 85 8.057 8.294 -0.237 1 1 852 . 15 1 1 A 85 85 ARG HA H 85 4.696 4.650 0.046 1 1 854 . 15 1 1 A 85 85 ARG CA C 85 53.887 57.253 -3.366 1 1 855 . 15 1 1 A 85 85 ARG CB C 85 30.500 33.175 -2.675 1 1 856 . 15 1 1 A 85 85 ARG N N 85 123.060 119.330 3.730 1 1 857 . 15 1 1 A 86 86 PRO HA H 86 4.426 4.705 -0.279 1 1 862 . 15 1 1 A 86 86 PRO CA C 86 62.541 62.235 0.306 1 1 863 . 15 1 1 A 86 86 PRO CB C 86 31.477 31.840 -0.363 1 1 864 . 15 1 1 A 87 87 ILE H H 87 8.449 8.525 -0.076 1 1 865 . 15 1 1 A 87 87 ILE HA H 87 3.821 4.629 -0.808 1 1 875 . 15 1 1 A 87 87 ILE CA C 87 58.300 58.913 -0.613 1 1 876 . 15 1 1 A 87 87 ILE CB C 87 37.630 38.636 -1.006 1 1 880 . 15 1 1 A 87 87 ILE N N 87 125.558 123.870 1.688 1 1 881 . 15 1 1 A 88 88 PRO HA H 88 4.425 4.479 -0.054 1 1 884 . 15 1 1 A 88 88 PRO C C 88 177.001 177.879 -0.878 1 1 885 . 15 1 1 A 88 88 PRO CA C 88 62.298 63.131 -0.833 1 1 886 . 15 1 1 A 88 88 PRO CB C 88 32.070 32.589 -0.519 1 1 887 . 15 1 1 A 89 89 GLU H H 89 8.861 8.744 0.117 1 1 888 . 15 1 1 A 89 89 GLU HA H 89 3.871 3.870 0.001 1 1 891 . 15 1 1 A 89 89 GLU C C 89 177.756 178.280 -0.524 1 1 892 . 15 1 1 A 89 89 GLU CA C 89 59.711 59.703 0.008 1 1 893 . 15 1 1 A 89 89 GLU CB C 89 29.119 29.579 -0.460 1 1 894 . 15 1 1 A 89 89 GLU N N 89 125.518 123.301 2.217 1 1 895 . 15 1 1 A 90 90 LYS H H 90 8.827 7.910 0.917 1 1 896 . 15 1 1 A 90 90 LYS HA H 90 3.969 3.979 -0.010 1 1 899 . 15 1 1 A 90 90 LYS C C 90 178.672 179.071 -0.399 1 1 900 . 15 1 1 A 90 90 LYS CA C 90 59.423 59.116 0.307 1 1 901 . 15 1 1 A 90 90 LYS CB C 90 31.820 32.254 -0.434 1 1 902 . 15 1 1 A 90 90 LYS N N 90 117.281 119.743 -2.462 1 1 903 . 15 1 1 A 91 91 LEU H H 91 6.857 8.018 -1.161 1 1 904 . 15 1 1 A 91 91 LEU HA H 91 4.212 3.854 0.358 1 1 911 . 15 1 1 A 91 91 LEU CA C 91 56.390 57.708 -1.318 1 1 912 . 15 1 1 A 91 91 LEU CB C 91 40.627 41.352 -0.725 1 1 915 . 15 1 1 A 91 91 LEU N N 91 120.818 119.847 0.971 1 1 916 . 15 1 1 A 92 92 LYS H H 92 8.156 8.295 -0.139 1 1 917 . 15 1 1 A 92 92 LYS HA H 92 3.558 3.749 -0.191 1 1 925 . 15 1 1 A 92 92 LYS C C 92 177.480 178.509 -1.029 1 1 926 . 15 1 1 A 92 92 LYS CA C 92 60.613 59.676 0.937 1 1 927 . 15 1 1 A 92 92 LYS CB C 92 31.812 32.538 -0.726 1 1 931 . 15 1 1 A 92 92 LYS N N 92 120.663 118.633 2.030 1 1 932 . 15 1 1 A 93 93 LYS H H 93 8.156 9.050 -0.894 1 1 933 . 15 1 1 A 93 93 LYS HA H 93 4.032 3.881 0.151 1 1 936 . 15 1 1 A 93 93 LYS C C 93 178.757 178.486 0.271 1 1 937 . 15 1 1 A 93 93 LYS CA C 93 58.546 59.702 -1.156 1 1 938 . 15 1 1 A 93 93 LYS CB C 93 31.726 32.510 -0.784 1 1 939 . 15 1 1 A 93 93 LYS N N 93 116.478 119.000 -2.522 1 1 940 . 15 1 1 A 94 94 ARG H H 94 7.287 8.121 -0.834 1 1 941 . 15 1 1 A 94 94 ARG HA H 94 4.032 3.878 0.154 1 1 948 . 15 1 1 A 94 94 ARG C C 94 177.872 178.765 -0.893 1 1 949 . 15 1 1 A 94 94 ARG CA C 94 58.639 59.203 -0.564 1 1 950 . 15 1 1 A 94 94 ARG CB C 94 29.490 29.902 -0.412 1 1 953 . 15 1 1 A 94 94 ARG N N 94 120.980 118.418 2.562 1 1 955 . 15 1 1 A 95 95 LEU H H 95 8.365 8.888 -0.523 1 1 956 . 15 1 1 A 95 95 LEU HA H 95 3.597 3.061 0.536 1 1 960 . 15 1 1 A 95 95 LEU C C 95 177.342 178.312 -0.970 1 1 961 . 15 1 1 A 95 95 LEU CA C 95 57.009 57.131 -0.122 1 1 962 . 15 1 1 A 95 95 LEU CB C 95 40.718 40.562 0.156 1 1 964 . 15 1 1 A 95 95 LEU N N 95 119.611 119.619 -0.008 1 1 965 . 15 1 1 A 96 96 GLN H H 96 8.126 8.832 -0.706 1 1 966 . 15 1 1 A 96 96 GLN HA H 96 4.033 3.852 0.181 1 1 972 . 15 1 1 A 96 96 GLN C C 96 179.502 178.080 1.422 1 1 973 . 15 1 1 A 96 96 GLN CA C 96 58.743 59.081 -0.338 1 1 974 . 15 1 1 A 96 96 GLN CB C 96 27.315 27.956 -0.641 1 1 976 . 15 1 1 A 96 96 GLN N N 96 115.986 117.820 -1.834 1 1 978 . 15 1 1 A 97 97 LEU H H 97 7.574 8.784 -1.210 1 1 979 . 15 1 1 A 97 97 LEU HA H 97 4.176 4.115 0.061 1 1 983 . 15 1 1 A 97 97 LEU CA C 97 57.816 57.580 0.236 1 1 984 . 15 1 1 A 97 97 LEU CB C 97 41.107 41.389 -0.282 1 1 985 . 15 1 1 A 97 97 LEU N N 97 121.721 120.887 0.834 1 1 986 . 15 1 1 A 98 98 GLU H H 98 8.180 9.108 -0.928 1 1 987 . 15 1 1 A 98 98 GLU HA H 98 3.970 4.028 -0.058 1 1 989 . 15 1 1 A 98 98 GLU C C 98 178.852 179.266 -0.414 1 1 990 . 15 1 1 A 98 98 GLU CA C 98 59.074 59.160 -0.086 1 1 991 . 15 1 1 A 98 98 GLU CB C 98 28.376 29.223 -0.847 1 1 992 . 15 1 1 A 98 98 GLU N N 98 122.418 118.995 3.423 1 1 993 . 15 1 1 A 99 99 PHE H H 99 8.995 9.182 -0.187 1 1 994 . 15 1 1 A 99 99 PHE HA H 99 4.560 4.306 0.254 1 1 997 . 15 1 1 A 99 99 PHE C C 99 178.050 178.220 -0.170 1 1 998 . 15 1 1 A 99 99 PHE CA C 99 57.595 60.658 -3.063 1 1 999 . 15 1 1 A 99 99 PHE CB C 99 36.788 39.250 -2.462 1 1 1000 . 15 1 1 A 99 99 PHE N N 99 118.943 118.933 0.010 1 1 1001 . 15 1 1 A 100 100 THR H H 100 7.985 9.374 -1.389 1 1 1002 . 15 1 1 A 100 100 THR HA H 100 4.097 4.177 -0.080 1 1 1007 . 15 1 1 A 100 100 THR CA C 100 66.567 66.236 0.331 1 1 1008 . 15 1 1 A 100 100 THR CB C 100 68.200 68.455 -0.255 1 1 1010 . 15 1 1 A 100 100 THR N N 100 117.633 115.281 2.352 1 1 1011 . 15 1 1 A 101 101 GLN H H 101 8.160 8.805 -0.645 1 1 1012 . 15 1 1 A 101 101 GLN HA H 101 4.017 4.058 -0.041 1 1 1018 . 15 1 1 A 101 101 GLN C C 101 179.034 177.701 1.333 1 1 1019 . 15 1 1 A 101 101 GLN CA C 101 58.649 58.748 -0.099 1 1 1020 . 15 1 1 A 101 101 GLN CB C 101 27.541 28.888 -1.347 1 1 1022 . 15 1 1 A 101 101 GLN N N 101 122.138 120.536 1.602 1 1 1024 . 15 1 1 A 102 102 ALA H H 102 8.768 9.360 -0.592 1 1 1025 . 15 1 1 A 102 102 ALA HA H 102 4.036 4.040 -0.004 1 1 1029 . 15 1 1 A 102 102 ALA C C 102 178.466 179.476 -1.010 1 1 1030 . 15 1 1 A 102 102 ALA CA C 102 55.525 55.055 0.470 1 1 1031 . 15 1 1 A 102 102 ALA CB C 102 18.046 18.093 -0.047 1 1 1032 . 15 1 1 A 102 102 ALA N N 102 124.541 121.618 2.923 1 1 1033 . 15 1 1 A 103 103 GLU H H 103 8.552 9.150 -0.598 1 1 1034 . 15 1 1 A 103 103 GLU HA H 103 3.680 4.031 -0.351 1 1 1039 . 15 1 1 A 103 103 GLU C C 103 178.447 178.565 -0.118 1 1 1040 . 15 1 1 A 103 103 GLU CA C 103 59.802 59.308 0.494 1 1 1041 . 15 1 1 A 103 103 GLU CB C 103 29.672 29.587 0.085 1 1 1043 . 15 1 1 A 103 103 GLU N N 103 120.048 118.469 1.579 1 1 1044 . 15 1 1 A 104 104 ARG H H 104 8.242 9.052 -0.810 1 1 1045 . 15 1 1 A 104 104 ARG HA H 104 4.214 4.083 0.131 1 1 1048 . 15 1 1 A 104 104 ARG C C 104 178.958 178.332 0.626 1 1 1049 . 15 1 1 A 104 104 ARG CA C 104 58.135 59.099 -0.964 1 1 1050 . 15 1 1 A 104 104 ARG CB C 104 29.742 29.847 -0.105 1 1 1051 . 15 1 1 A 104 104 ARG N N 104 119.448 120.293 -0.845 1 1 1052 . 15 1 1 A 105 105 SER H H 105 8.087 8.702 -0.615 1 1 1053 . 15 1 1 A 105 105 SER HA H 105 4.290 4.177 0.113 1 1 1056 . 15 1 1 A 105 105 SER CA C 105 61.917 61.949 -0.032 1 1 1057 . 15 1 1 A 105 105 SER N N 105 117.329 113.479 3.850 1 1 1058 . 15 1 1 A 106 106 ILE H H 106 8.403 7.570 0.833 1 1 1059 . 15 1 1 A 106 106 ILE HA H 106 4.113 3.698 0.415 1 1 1069 . 15 1 1 A 106 106 ILE CA C 106 61.487 64.988 -3.501 1 1 1070 . 15 1 1 A 106 106 ILE CB C 106 35.600 37.351 -1.751 1 1 1074 . 15 1 1 A 106 106 ILE N N 106 124.394 120.970 3.424 1 1 1075 . 15 1 1 A 107 107 GLU H H 107 8.187 7.586 0.601 1 1 1076 . 15 1 1 A 107 107 GLU HA H 107 4.126 4.291 -0.165 1 1 1079 . 15 1 1 A 107 107 GLU C C 107 177.494 176.175 1.319 1 1 1080 . 15 1 1 A 107 107 GLU CA C 107 58.849 56.751 2.098 1 1 1081 . 15 1 1 A 107 107 GLU CB C 107 29.052 29.752 -0.700 1 1 1082 . 15 1 1 A 107 107 GLU N N 107 123.223 120.501 2.722 1 1 1083 . 15 1 1 A 108 108 ARG H H 108 7.651 8.131 -0.480 1 1 1084 . 15 1 1 A 108 108 ARG HA H 108 4.431 4.008 0.423 1 1 1090 . 15 1 1 A 108 108 ARG C C 108 175.927 176.613 -0.686 1 1 1091 . 15 1 1 A 108 108 ARG CA C 108 55.584 57.448 -1.864 1 1 1092 . 15 1 1 A 108 108 ARG CB C 108 30.806 29.489 1.317 1 1 1094 . 15 1 1 A 108 108 ARG N N 108 117.394 118.390 -0.996 1 1 1095 . 15 1 1 A 109 109 GLY H H 109 8.190 7.622 0.568 1 1 1096 . 15 1 1 A 109 109 GLY HA2 H 109 4.141 3.962 0.179 1 1 1097 . 15 1 1 A 109 109 GLY HA3 H 109 4.060 3.963 0.097 1 1 1098 . 15 1 1 A 109 109 GLY C C 109 174.031 174.124 -0.093 1 1 1099 . 15 1 1 A 109 109 GLY CA C 109 45.823 46.137 -0.314 1 1 1100 . 15 1 1 A 109 109 GLY N N 109 110.712 107.520 3.192 1 1 7 . 16 1 1 A 2 2 ASP H H 2 8.644 8.856 -0.212 1 1 8 . 16 1 1 A 2 2 ASP HA H 2 4.373 4.809 -0.436 1 1 11 . 16 1 1 A 2 2 ASP C C 2 178.938 175.065 3.873 1 1 12 . 16 1 1 A 2 2 ASP CA C 2 53.794 53.184 0.610 1 1 13 . 16 1 1 A 2 2 ASP CB C 2 41.025 40.158 0.867 1 1 14 . 16 1 1 A 2 2 ASP N N 2 122.106 123.200 -1.094 1 1 15 . 16 1 1 A 3 3 SER H H 3 8.508 7.828 0.680 1 1 16 . 16 1 1 A 3 3 SER HA H 3 4.331 5.117 -0.786 1 1 19 . 16 1 1 A 3 3 SER C C 3 174.777 173.343 1.434 1 1 20 . 16 1 1 A 3 3 SER CA C 3 58.141 56.436 1.705 1 1 21 . 16 1 1 A 3 3 SER CB C 3 63.359 66.355 -2.996 1 1 22 . 16 1 1 A 3 3 SER N N 3 117.604 113.949 3.655 1 1 23 . 16 1 1 A 4 4 GLY H H 4 8.603 8.515 0.088 1 1 24 . 16 1 1 A 4 4 GLY HA2 H 4 4.130 4.155 -0.025 1 1 25 . 16 1 1 A 4 4 GLY HA3 H 4 4.076 4.165 -0.089 1 1 26 . 16 1 1 A 4 4 GLY C C 4 174.283 172.615 1.668 1 1 27 . 16 1 1 A 4 4 GLY CA C 4 45.054 44.601 0.453 1 1 28 . 16 1 1 A 4 4 GLY N N 4 111.842 108.920 2.922 1 1 29 . 16 1 1 A 5 5 THR H H 5 8.140 8.520 -0.380 1 1 30 . 16 1 1 A 5 5 THR HA H 5 4.371 4.807 -0.436 1 1 35 . 16 1 1 A 5 5 THR C C 5 174.827 173.314 1.513 1 1 36 . 16 1 1 A 5 5 THR CA C 5 61.515 61.115 0.400 1 1 37 . 16 1 1 A 5 5 THR CB C 5 69.683 71.530 -1.847 1 1 39 . 16 1 1 A 5 5 THR N N 5 112.188 115.440 -3.252 1 1 40 . 16 1 1 A 6 6 GLY H H 6 8.425 8.395 0.030 1 1 41 . 16 1 1 A 6 6 GLY HA2 H 6 4.109 4.259 -0.150 1 1 42 . 16 1 1 A 6 6 GLY HA3 H 6 3.875 4.400 -0.525 1 1 43 . 16 1 1 A 6 6 GLY C C 6 173.670 175.237 -1.567 1 1 44 . 16 1 1 A 6 6 GLY CA C 6 44.466 45.969 -1.503 1 1 45 . 16 1 1 A 6 6 GLY N N 6 110.955 111.678 -0.723 1 1 46 . 16 1 1 A 7 7 LEU H H 7 7.993 8.968 -0.975 1 1 47 . 16 1 1 A 7 7 LEU HA H 7 4.503 3.973 0.530 1 1 53 . 16 1 1 A 7 7 LEU C C 7 177.284 177.178 0.106 1 1 54 . 16 1 1 A 7 7 LEU CA C 7 54.741 58.267 -3.526 1 1 55 . 16 1 1 A 7 7 LEU CB C 7 39.284 42.321 -3.037 1 1 58 . 16 1 1 A 7 7 LEU N N 7 121.268 124.178 -2.910 1 1 59 . 16 1 1 A 8 8 THR H H 8 10.385 7.423 2.962 1 1 60 . 16 1 1 A 8 8 THR HA H 8 4.521 4.463 0.058 1 1 65 . 16 1 1 A 8 8 THR C C 8 176.965 174.811 2.154 1 1 66 . 16 1 1 A 8 8 THR CA C 8 64.563 62.072 2.491 1 1 67 . 16 1 1 A 8 8 THR CB C 8 71.946 71.622 0.324 1 1 69 . 16 1 1 A 8 8 THR N N 8 113.472 109.484 3.988 1 1 70 . 16 1 1 A 9 9 GLY H H 9 9.733 7.427 2.306 1 1 71 . 16 1 1 A 9 9 GLY HA2 H 9 4.391 3.214 1.177 1 1 72 . 16 1 1 A 9 9 GLY HA3 H 9 3.805 3.694 0.111 1 1 73 . 16 1 1 A 9 9 GLY C C 9 173.133 173.768 -0.635 1 1 74 . 16 1 1 A 9 9 GLY CA C 9 45.453 46.129 -0.676 1 1 75 . 16 1 1 A 9 9 GLY N N 9 114.948 109.432 5.516 1 1 76 . 16 1 1 A 10 10 ASN H H 10 7.664 7.579 0.085 1 1 77 . 16 1 1 A 10 10 ASN HA H 10 4.906 5.340 -0.434 1 1 82 . 16 1 1 A 10 10 ASN C C 10 173.098 173.963 -0.865 1 1 83 . 16 1 1 A 10 10 ASN CA C 10 51.504 51.163 0.341 1 1 84 . 16 1 1 A 10 10 ASN CB C 10 38.449 42.587 -4.138 1 1 85 . 16 1 1 A 10 10 ASN N N 10 120.991 117.495 3.496 1 1 87 . 16 1 1 A 11 11 TYR H H 11 8.892 8.381 0.511 1 1 88 . 16 1 1 A 11 11 TYR HA H 11 3.767 4.718 -0.951 1 1 91 . 16 1 1 A 11 11 TYR C C 11 177.871 177.477 0.394 1 1 92 . 16 1 1 A 11 11 TYR CA C 11 61.897 58.749 3.148 1 1 93 . 16 1 1 A 11 11 TYR CB C 11 38.099 39.516 -1.417 1 1 94 . 16 1 1 A 11 11 TYR N N 11 128.653 118.579 10.074 1 1 95 . 16 1 1 A 12 12 SER H H 12 8.729 8.711 0.018 1 1 96 . 16 1 1 A 12 12 SER HA H 12 3.747 4.585 -0.838 1 1 99 . 16 1 1 A 12 12 SER C C 12 174.675 177.136 -2.461 1 1 100 . 16 1 1 A 12 12 SER CA C 12 62.371 61.603 0.768 1 1 101 . 16 1 1 A 12 12 SER CB C 12 61.600 62.522 -0.922 1 1 102 . 16 1 1 A 12 12 SER N N 12 119.446 114.636 4.810 1 1 103 . 16 1 1 A 13 13 GLN H H 13 7.645 8.135 -0.490 1 1 104 . 16 1 1 A 13 13 GLN HA H 13 3.955 3.998 -0.043 1 1 110 . 16 1 1 A 13 13 GLN C C 13 178.400 178.297 0.103 1 1 111 . 16 1 1 A 13 13 GLN CA C 13 58.083 59.072 -0.989 1 1 112 . 16 1 1 A 13 13 GLN CB C 13 28.328 28.282 0.046 1 1 114 . 16 1 1 A 13 13 GLN N N 13 121.234 121.332 -0.098 1 1 116 . 16 1 1 A 14 14 ASP H H 14 9.314 7.916 1.398 1 1 117 . 16 1 1 A 14 14 ASP HA H 14 4.513 4.363 0.150 1 1 120 . 16 1 1 A 14 14 ASP C C 14 177.320 178.913 -1.593 1 1 121 . 16 1 1 A 14 14 ASP CA C 14 56.778 56.894 -0.116 1 1 122 . 16 1 1 A 14 14 ASP CB C 14 40.380 40.370 0.010 1 1 123 . 16 1 1 A 14 14 ASP N N 14 120.095 119.912 0.183 1 1 124 . 16 1 1 A 15 15 THR H H 15 8.283 8.032 0.251 1 1 125 . 16 1 1 A 15 15 THR HA H 15 3.637 3.863 -0.226 1 1 130 . 16 1 1 A 15 15 THR C C 15 174.455 176.881 -2.426 1 1 131 . 16 1 1 A 15 15 THR CA C 15 67.657 67.043 0.614 1 1 132 . 16 1 1 A 15 15 THR CB C 15 67.465 68.016 -0.551 1 1 134 . 16 1 1 A 15 15 THR N N 15 117.657 116.496 1.161 1 1 135 . 16 1 1 A 16 16 LEU H H 16 7.452 8.331 -0.879 1 1 136 . 16 1 1 A 16 16 LEU HA H 16 3.919 3.952 -0.033 1 1 140 . 16 1 1 A 16 16 LEU C C 16 179.666 179.078 0.588 1 1 141 . 16 1 1 A 16 16 LEU CA C 16 57.864 57.972 -0.108 1 1 142 . 16 1 1 A 16 16 LEU CB C 16 39.811 41.048 -1.237 1 1 144 . 16 1 1 A 16 16 LEU N N 16 120.034 118.153 1.881 1 1 145 . 16 1 1 A 17 17 THR H H 17 8.708 8.060 0.648 1 1 146 . 16 1 1 A 17 17 THR HA H 17 3.893 3.947 -0.054 1 1 151 . 16 1 1 A 17 17 THR C C 17 179.666 176.764 2.902 1 1 152 . 16 1 1 A 17 17 THR CA C 17 66.152 66.818 -0.666 1 1 153 . 16 1 1 A 17 17 THR CB C 17 67.921 68.397 -0.476 1 1 155 . 16 1 1 A 17 17 THR N N 17 121.382 115.511 5.871 1 1 156 . 16 1 1 A 18 18 VAL H H 18 8.194 7.816 0.378 1 1 157 . 16 1 1 A 18 18 VAL HA H 18 3.705 3.545 0.160 1 1 165 . 16 1 1 A 18 18 VAL C C 18 177.242 177.899 -0.657 1 1 166 . 16 1 1 A 18 18 VAL CA C 18 65.886 67.080 -1.194 1 1 167 . 16 1 1 A 18 18 VAL CB C 18 30.729 31.695 -0.966 1 1 170 . 16 1 1 A 18 18 VAL N N 18 123.227 121.569 1.658 1 1 171 . 16 1 1 A 19 19 ILE H H 19 7.933 8.048 -0.115 1 1 172 . 16 1 1 A 19 19 ILE HA H 19 2.633 3.649 -1.016 1 1 182 . 16 1 1 A 19 19 ILE C C 19 176.276 178.543 -2.267 1 1 183 . 16 1 1 A 19 19 ILE CA C 19 66.137 64.108 2.029 1 1 184 . 16 1 1 A 19 19 ILE CB C 19 37.782 36.845 0.937 1 1 188 . 16 1 1 A 19 19 ILE N N 19 119.786 119.204 0.582 1 1 189 . 16 1 1 A 20 20 ALA H H 20 7.782 8.703 -0.921 1 1 190 . 16 1 1 A 20 20 ALA HA H 20 3.972 4.024 -0.052 1 1 194 . 16 1 1 A 20 20 ALA C C 20 180.867 179.500 1.367 1 1 195 . 16 1 1 A 20 20 ALA CA C 20 55.170 55.144 0.026 1 1 196 . 16 1 1 A 20 20 ALA CB C 20 17.282 18.188 -0.906 1 1 197 . 16 1 1 A 20 20 ALA N N 20 121.793 124.511 -2.718 1 1 198 . 16 1 1 A 21 21 THR H H 21 8.573 7.576 0.997 1 1 199 . 16 1 1 A 21 21 THR HA H 21 3.902 3.924 -0.022 1 1 204 . 16 1 1 A 21 21 THR C C 21 176.720 177.005 -0.285 1 1 205 . 16 1 1 A 21 21 THR CA C 21 65.200 66.840 -1.640 1 1 206 . 16 1 1 A 21 21 THR CB C 21 68.092 68.012 0.080 1 1 208 . 16 1 1 A 21 21 THR N N 21 118.393 115.683 2.710 1 1 209 . 16 1 1 A 22 22 LEU H H 22 8.583 7.878 0.705 1 1 210 . 16 1 1 A 22 22 LEU HA H 22 4.065 3.912 0.153 1 1 217 . 16 1 1 A 22 22 LEU C C 22 178.284 179.320 -1.036 1 1 218 . 16 1 1 A 22 22 LEU CA C 22 57.005 57.962 -0.957 1 1 219 . 16 1 1 A 22 22 LEU CB C 22 40.209 41.465 -1.256 1 1 223 . 16 1 1 A 22 22 LEU N N 22 122.517 121.722 0.795 1 1 224 . 16 1 1 A 23 23 ARG H H 23 8.858 8.930 -0.072 1 1 225 . 16 1 1 A 23 23 ARG HA H 23 3.873 4.103 -0.230 1 1 230 . 16 1 1 A 23 23 ARG C C 23 178.503 178.715 -0.212 1 1 231 . 16 1 1 A 23 23 ARG CA C 23 60.362 59.665 0.697 1 1 232 . 16 1 1 A 23 23 ARG CB C 23 29.808 30.149 -0.341 1 1 235 . 16 1 1 A 23 23 ARG N N 23 120.502 118.113 2.389 1 1 237 . 16 1 1 A 24 24 GLU H H 24 7.250 8.096 -0.846 1 1 238 . 16 1 1 A 24 24 GLU HA H 24 4.109 4.076 0.033 1 1 243 . 16 1 1 A 24 24 GLU CA C 24 58.312 59.081 -0.769 1 1 244 . 16 1 1 A 24 24 GLU CB C 24 29.024 28.956 0.068 1 1 246 . 16 1 1 A 24 24 GLU N N 24 117.221 119.990 -2.769 1 1 247 . 16 1 1 A 25 25 ALA H H 25 8.223 8.068 0.155 1 1 248 . 16 1 1 A 25 25 ALA HA H 25 3.983 4.046 -0.063 1 1 252 . 16 1 1 A 25 25 ALA C C 25 180.617 179.676 0.941 1 1 253 . 16 1 1 A 25 25 ALA CA C 25 55.203 55.212 -0.009 1 1 254 . 16 1 1 A 25 25 ALA CB C 25 17.657 18.021 -0.364 1 1 255 . 16 1 1 A 25 25 ALA N N 25 121.823 123.208 -1.385 1 1 256 . 16 1 1 A 26 26 ILE H H 26 8.552 7.508 1.044 1 1 257 . 16 1 1 A 26 26 ILE HA H 26 4.144 3.816 0.328 1 1 267 . 16 1 1 A 26 26 ILE C C 26 175.586 176.285 -0.699 1 1 268 . 16 1 1 A 26 26 ILE CA C 26 63.790 63.055 0.735 1 1 269 . 16 1 1 A 26 26 ILE CB C 26 37.496 37.874 -0.378 1 1 273 . 16 1 1 A 26 26 ILE N N 26 112.838 119.252 -6.414 1 1 274 . 16 1 1 A 27 27 ASP H H 27 7.175 7.549 -0.374 1 1 275 . 16 1 1 A 27 27 ASP HA H 27 4.934 4.862 0.072 1 1 278 . 16 1 1 A 27 27 ASP C C 27 175.602 175.412 0.190 1 1 279 . 16 1 1 A 27 27 ASP CA C 27 53.160 52.839 0.321 1 1 280 . 16 1 1 A 27 27 ASP CB C 27 41.754 40.602 1.152 1 1 281 . 16 1 1 A 27 27 ASP N N 27 120.840 118.243 2.597 1 1 282 . 16 1 1 A 28 28 LEU H H 28 7.136 7.560 -0.424 1 1 283 . 16 1 1 A 28 28 LEU HA H 28 4.510 4.659 -0.149 1 1 290 . 16 1 1 A 28 28 LEU CA C 28 53.379 52.975 0.404 1 1 291 . 16 1 1 A 28 28 LEU CB C 28 42.286 41.718 0.568 1 1 294 . 16 1 1 A 28 28 LEU N N 28 124.155 117.922 6.233 1 1 295 . 16 1 1 A 29 29 PRO HA H 29 4.552 4.520 0.032 1 1 301 . 16 1 1 A 29 29 PRO C C 29 177.414 177.252 0.162 1 1 302 . 16 1 1 A 29 29 PRO CA C 29 62.506 63.033 -0.527 1 1 303 . 16 1 1 A 29 29 PRO CB C 29 32.263 32.641 -0.378 1 1 305 . 16 1 1 A 30 30 GLN H H 30 8.935 8.560 0.375 1 1 306 . 16 1 1 A 30 30 GLN HA H 30 3.966 4.098 -0.132 1 1 311 . 16 1 1 A 30 30 GLN C C 30 175.595 176.618 -1.023 1 1 312 . 16 1 1 A 30 30 GLN CA C 30 58.036 58.187 -0.151 1 1 313 . 16 1 1 A 30 30 GLN CB C 30 28.116 28.455 -0.339 1 1 315 . 16 1 1 A 30 30 GLN N N 30 122.119 121.708 0.411 1 1 317 . 16 1 1 A 31 31 ASP H H 31 8.353 7.933 0.420 1 1 318 . 16 1 1 A 31 31 ASP HA H 31 4.682 4.620 0.062 1 1 321 . 16 1 1 A 31 31 ASP C C 31 175.518 176.556 -1.038 1 1 322 . 16 1 1 A 31 31 ASP CA C 31 52.178 53.899 -1.721 1 1 323 . 16 1 1 A 31 31 ASP CB C 31 39.270 41.325 -2.055 1 1 324 . 16 1 1 A 31 31 ASP N N 31 115.909 118.753 -2.844 1 1 325 . 16 1 1 A 32 32 ALA H H 32 7.467 7.643 -0.176 1 1 326 . 16 1 1 A 32 32 ALA HA H 32 4.564 4.800 -0.236 1 1 330 . 16 1 1 A 32 32 ALA CA C 32 50.496 49.776 0.720 1 1 331 . 16 1 1 A 32 32 ALA CB C 32 17.852 19.031 -1.179 1 1 332 . 16 1 1 A 32 32 ALA N N 32 124.893 121.516 3.377 1 1 333 . 16 1 1 A 33 33 PRO HA H 33 4.494 4.472 0.022 1 1 339 . 16 1 1 A 33 33 PRO C C 33 176.278 176.559 -0.281 1 1 340 . 16 1 1 A 33 33 PRO CA C 33 63.894 63.809 0.085 1 1 341 . 16 1 1 A 33 33 PRO CB C 33 31.354 30.954 0.400 1 1 344 . 16 1 1 A 34 34 ASN H H 34 8.577 8.740 -0.163 1 1 345 . 16 1 1 A 34 34 ASN HA H 34 5.041 5.132 -0.091 1 1 350 . 16 1 1 A 34 34 ASN C C 34 174.678 175.523 -0.845 1 1 351 . 16 1 1 A 34 34 ASN CA C 34 51.792 51.991 -0.199 1 1 352 . 16 1 1 A 34 34 ASN CB C 34 36.334 38.435 -2.101 1 1 353 . 16 1 1 A 34 34 ASN N N 34 115.598 116.364 -0.766 1 1 355 . 16 1 1 A 35 35 ARG H H 35 7.401 8.276 -0.875 1 1 356 . 16 1 1 A 35 35 ARG HA H 35 3.726 4.018 -0.292 1 1 363 . 16 1 1 A 35 35 ARG C C 35 176.887 178.456 -1.569 1 1 364 . 16 1 1 A 35 35 ARG CA C 35 60.063 59.031 1.032 1 1 365 . 16 1 1 A 35 35 ARG CB C 35 29.571 29.687 -0.116 1 1 368 . 16 1 1 A 35 35 ARG N N 35 119.690 119.854 -0.164 1 1 370 . 16 1 1 A 36 36 GLN H H 36 8.780 8.096 0.684 1 1 371 . 16 1 1 A 36 36 GLN HA H 36 3.805 4.147 -0.342 1 1 377 . 16 1 1 A 36 36 GLN CA C 36 58.618 59.225 -0.607 1 1 378 . 16 1 1 A 36 36 GLN CB C 36 27.595 28.659 -1.064 1 1 380 . 16 1 1 A 36 36 GLN N N 36 119.100 120.123 -1.023 1 1 382 . 16 1 1 A 37 37 GLU H H 37 8.128 8.150 -0.022 1 1 383 . 16 1 1 A 37 37 GLU HA H 37 4.137 4.035 0.102 1 1 387 . 16 1 1 A 37 37 GLU C C 37 179.222 179.257 -0.035 1 1 388 . 16 1 1 A 37 37 GLU CA C 37 59.336 59.373 -0.037 1 1 389 . 16 1 1 A 37 37 GLU CB C 37 28.781 29.346 -0.565 1 1 391 . 16 1 1 A 37 37 GLU N N 37 120.485 118.968 1.517 1 1 392 . 16 1 1 A 38 38 VAL H H 38 8.127 7.766 0.361 1 1 393 . 16 1 1 A 38 38 VAL HA H 38 3.708 3.648 0.060 1 1 401 . 16 1 1 A 38 38 VAL C C 38 178.246 178.019 0.227 1 1 402 . 16 1 1 A 38 38 VAL CA C 38 66.019 66.353 -0.334 1 1 403 . 16 1 1 A 38 38 VAL CB C 38 31.008 31.634 -0.626 1 1 406 . 16 1 1 A 38 38 VAL N N 38 121.937 120.476 1.461 1 1 407 . 16 1 1 A 39 39 GLN H H 39 8.324 8.004 0.320 1 1 408 . 16 1 1 A 39 39 GLN HA H 39 3.764 3.981 -0.217 1 1 415 . 16 1 1 A 39 39 GLN C C 39 177.642 177.775 -0.133 1 1 416 . 16 1 1 A 39 39 GLN CA C 39 59.019 59.002 0.017 1 1 417 . 16 1 1 A 39 39 GLN CB C 39 27.176 28.214 -1.038 1 1 419 . 16 1 1 A 39 39 GLN N N 39 120.203 119.902 0.301 1 1 421 . 16 1 1 A 40 40 ASP H H 40 8.699 8.303 0.396 1 1 422 . 16 1 1 A 40 40 ASP HA H 40 4.391 4.253 0.138 1 1 425 . 16 1 1 A 40 40 ASP C C 40 179.726 178.828 0.898 1 1 426 . 16 1 1 A 40 40 ASP CA C 40 57.267 56.844 0.423 1 1 427 . 16 1 1 A 40 40 ASP CB C 40 39.458 40.119 -0.661 1 1 428 . 16 1 1 A 40 40 ASP N N 40 121.604 119.622 1.982 1 1 429 . 16 1 1 A 41 41 THR H H 41 8.449 7.748 0.701 1 1 430 . 16 1 1 A 41 41 THR HA H 41 3.981 3.942 0.039 1 1 435 . 16 1 1 A 41 41 THR CA C 41 66.254 66.016 0.238 1 1 436 . 16 1 1 A 41 41 THR CB C 41 67.937 68.541 -0.604 1 1 437 . 16 1 1 A 41 41 THR N N 41 121.386 117.082 4.304 1 1 438 . 16 1 1 A 42 42 ALA H H 42 8.552 7.831 0.721 1 1 439 . 16 1 1 A 42 42 ALA HA H 42 3.876 3.995 -0.119 1 1 443 . 16 1 1 A 42 42 ALA C C 42 178.300 179.817 -1.517 1 1 444 . 16 1 1 A 42 42 ALA CA C 42 55.244 54.929 0.315 1 1 445 . 16 1 1 A 42 42 ALA CB C 42 17.295 18.172 -0.877 1 1 446 . 16 1 1 A 42 42 ALA N N 42 126.245 123.218 3.027 1 1 447 . 16 1 1 A 43 43 ARG H H 43 8.553 7.674 0.879 1 1 448 . 16 1 1 A 43 43 ARG HA H 43 3.923 4.128 -0.205 1 1 451 . 16 1 1 A 43 43 ARG C C 43 178.522 179.080 -0.558 1 1 452 . 16 1 1 A 43 43 ARG CA C 43 59.680 59.799 -0.119 1 1 453 . 16 1 1 A 43 43 ARG CB C 43 29.887 30.005 -0.118 1 1 454 . 16 1 1 A 43 43 ARG N N 43 117.705 119.415 -1.710 1 1 455 . 16 1 1 A 44 44 GLY H H 44 8.049 7.942 0.107 1 1 456 . 16 1 1 A 44 44 GLY HA2 H 44 4.066 3.826 0.240 1 1 457 . 16 1 1 A 44 44 GLY HA3 H 44 3.972 3.827 0.145 1 1 458 . 16 1 1 A 44 44 GLY CA C 44 46.710 47.403 -0.693 1 1 459 . 16 1 1 A 44 44 GLY N N 44 106.443 106.693 -0.250 1 1 460 . 16 1 1 A 45 45 GLN H H 45 8.305 7.419 0.886 1 1 461 . 16 1 1 A 45 45 GLN HA H 45 4.204 4.103 0.101 1 1 466 . 16 1 1 A 45 45 GLN C C 45 177.942 178.967 -1.025 1 1 467 . 16 1 1 A 45 45 GLN CA C 45 59.930 58.481 1.449 1 1 468 . 16 1 1 A 45 45 GLN CB C 45 28.520 28.467 0.053 1 1 470 . 16 1 1 A 45 45 GLN N N 45 123.780 121.703 2.077 1 1 472 . 16 1 1 A 46 46 ILE H H 46 8.673 8.346 0.327 1 1 473 . 16 1 1 A 46 46 ILE HA H 46 3.594 3.694 -0.100 1 1 483 . 16 1 1 A 46 46 ILE C C 46 176.649 177.863 -1.214 1 1 484 . 16 1 1 A 46 46 ILE CA C 46 66.299 65.738 0.561 1 1 485 . 16 1 1 A 46 46 ILE CB C 46 37.762 38.035 -0.273 1 1 489 . 16 1 1 A 46 46 ILE N N 46 120.050 121.391 -1.341 1 1 490 . 16 1 1 A 47 47 ASN H H 47 7.866 8.164 -0.298 1 1 491 . 16 1 1 A 47 47 ASN HA H 47 4.525 4.510 0.015 1 1 495 . 16 1 1 A 47 47 ASN C C 47 176.649 177.547 -0.898 1 1 496 . 16 1 1 A 47 47 ASN CA C 47 55.703 56.633 -0.930 1 1 497 . 16 1 1 A 47 47 ASN CB C 47 37.925 38.112 -0.187 1 1 498 . 16 1 1 A 47 47 ASN N N 47 116.444 118.183 -1.739 1 1 500 . 16 1 1 A 48 48 ASP H H 48 8.185 7.822 0.363 1 1 501 . 16 1 1 A 48 48 ASP HA H 48 4.460 4.427 0.033 1 1 504 . 16 1 1 A 48 48 ASP C C 48 176.285 178.230 -1.945 1 1 505 . 16 1 1 A 48 48 ASP CA C 48 56.635 57.216 -0.581 1 1 506 . 16 1 1 A 48 48 ASP CB C 48 41.593 41.161 0.432 1 1 507 . 16 1 1 A 48 48 ASP N N 48 121.725 119.680 2.045 1 1 508 . 16 1 1 A 49 49 TYR H H 49 8.756 8.867 -0.111 1 1 509 . 16 1 1 A 49 49 TYR HA H 49 3.892 4.311 -0.419 1 1 512 . 16 1 1 A 49 49 TYR C C 49 176.432 177.034 -0.602 1 1 513 . 16 1 1 A 49 49 TYR CA C 49 62.617 61.641 0.976 1 1 514 . 16 1 1 A 49 49 TYR CB C 49 39.188 38.735 0.453 1 1 515 . 16 1 1 A 49 49 TYR N N 49 121.005 120.377 0.628 1 1 516 . 16 1 1 A 50 50 ILE H H 50 8.481 8.830 -0.349 1 1 517 . 16 1 1 A 50 50 ILE HA H 50 3.901 3.514 0.387 1 1 527 . 16 1 1 A 50 50 ILE C C 50 177.407 176.886 0.521 1 1 528 . 16 1 1 A 50 50 ILE CA C 50 63.893 63.801 0.092 1 1 529 . 16 1 1 A 50 50 ILE CB C 50 36.668 38.076 -1.408 1 1 533 . 16 1 1 A 50 50 ILE N N 50 117.237 120.023 -2.786 1 1 534 . 16 1 1 A 51 51 SER H H 51 7.870 7.900 -0.030 1 1 535 . 16 1 1 A 51 51 SER HA H 51 4.203 4.585 -0.382 1 1 538 . 16 1 1 A 51 51 SER C C 51 177.413 174.436 2.977 1 1 539 . 16 1 1 A 51 51 SER CA C 51 61.003 57.989 3.014 1 1 540 . 16 1 1 A 51 51 SER CB C 51 62.711 63.961 -1.250 1 1 541 . 16 1 1 A 51 51 SER N N 51 113.635 114.660 -1.025 1 1 542 . 16 1 1 A 52 52 ARG H H 52 8.386 7.841 0.545 1 1 543 . 16 1 1 A 52 52 ARG HA H 52 3.816 4.458 -0.642 1 1 551 . 16 1 1 A 52 52 ARG C C 52 178.788 174.846 3.942 1 1 552 . 16 1 1 A 52 52 ARG CA C 52 58.343 57.261 1.082 1 1 553 . 16 1 1 A 52 52 ARG CB C 52 30.053 32.849 -2.796 1 1 556 . 16 1 1 A 52 52 ARG N N 52 120.787 122.295 -1.508 1 1 558 . 16 1 1 A 53 53 TYR H H 53 7.428 8.798 -1.370 1 1 559 . 16 1 1 A 53 53 TYR HA H 53 4.667 4.936 -0.269 1 1 562 . 16 1 1 A 53 53 TYR C C 53 174.743 175.470 -0.727 1 1 563 . 16 1 1 A 53 53 TYR CA C 53 57.922 55.776 2.146 1 1 564 . 16 1 1 A 53 53 TYR CB C 53 38.030 38.105 -0.075 1 1 565 . 16 1 1 A 53 53 TYR N N 53 115.269 117.355 -2.086 1 1 566 . 16 1 1 A 54 54 ARG H H 54 7.775 8.371 -0.596 1 1 567 . 16 1 1 A 54 54 ARG HA H 54 4.249 3.781 0.468 1 1 570 . 16 1 1 A 54 54 ARG C C 54 177.121 176.641 0.480 1 1 571 . 16 1 1 A 54 54 ARG CA C 54 58.720 57.217 1.503 1 1 572 . 16 1 1 A 54 54 ARG CB C 54 29.345 31.147 -1.802 1 1 573 . 16 1 1 A 54 54 ARG N N 54 120.518 124.890 -4.372 1 1 574 . 16 1 1 A 55 55 ARG H H 55 8.319 7.805 0.514 1 1 575 . 16 1 1 A 55 55 ARG HA H 55 4.249 4.211 0.038 1 1 577 . 16 1 1 A 55 55 ARG C C 55 177.395 176.816 0.579 1 1 578 . 16 1 1 A 55 55 ARG CA C 55 56.766 57.094 -0.328 1 1 579 . 16 1 1 A 55 55 ARG CB C 55 29.231 30.975 -1.744 1 1 580 . 16 1 1 A 55 55 ARG N N 55 119.094 118.895 0.199 1 1 581 . 16 1 1 A 56 56 LYS H H 56 8.062 8.744 -0.682 1 1 582 . 16 1 1 A 56 56 LYS HA H 56 4.069 4.362 -0.293 1 1 588 . 16 1 1 A 56 56 LYS C C 56 177.177 177.049 0.128 1 1 589 . 16 1 1 A 56 56 LYS CA C 56 56.740 55.736 1.004 1 1 590 . 16 1 1 A 56 56 LYS CB C 56 31.291 34.250 -2.959 1 1 594 . 16 1 1 A 56 56 LYS N N 56 121.271 117.980 3.291 1 1 595 . 16 1 1 A 57 57 GLY H H 57 8.138 8.100 0.038 1 1 596 . 16 1 1 A 57 57 GLY HA2 H 57 4.055 4.041 0.014 1 1 597 . 16 1 1 A 57 57 GLY HA3 H 57 3.766 4.080 -0.314 1 1 598 . 16 1 1 A 57 57 GLY C C 57 174.196 174.002 0.194 1 1 599 . 16 1 1 A 57 57 GLY CA C 57 45.336 45.035 0.301 1 1 600 . 16 1 1 A 57 57 GLY N N 57 108.747 109.705 -0.958 1 1 601 . 16 1 1 A 58 58 ASP H H 58 7.937 8.452 -0.515 1 1 602 . 16 1 1 A 58 58 ASP HA H 58 4.571 4.377 0.194 1 1 604 . 16 1 1 A 58 58 ASP CA C 58 54.548 54.712 -0.164 1 1 605 . 16 1 1 A 58 58 ASP CB C 58 40.254 39.254 1.000 1 1 606 . 16 1 1 A 58 58 ASP N N 58 121.456 121.441 0.015 1 1 607 . 16 1 1 A 59 59 ALA H H 59 8.150 8.161 -0.011 1 1 608 . 16 1 1 A 59 59 ALA HA H 59 4.178 4.027 0.151 1 1 612 . 16 1 1 A 59 59 ALA C C 59 177.927 178.563 -0.636 1 1 613 . 16 1 1 A 59 59 ALA CA C 59 52.751 55.325 -2.574 1 1 614 . 16 1 1 A 59 59 ALA CB C 59 18.062 19.085 -1.023 1 1 615 . 16 1 1 A 59 59 ALA N N 59 123.316 128.371 -5.055 1 1 616 . 16 1 1 A 60 60 GLY H H 60 8.190 7.642 0.548 1 1 617 . 16 1 1 A 60 60 GLY HA2 H 60 3.954 4.062 -0.108 1 1 618 . 16 1 1 A 60 60 GLY HA3 H 60 3.962 4.066 -0.104 1 1 619 . 16 1 1 A 60 60 GLY C C 60 174.572 174.418 0.154 1 1 620 . 16 1 1 A 60 60 GLY CA C 60 45.301 45.519 -0.218 1 1 621 . 16 1 1 A 60 60 GLY N N 60 107.588 103.626 3.962 1 1 622 . 16 1 1 A 61 61 GLY H H 61 8.014 8.023 -0.009 1 1 623 . 16 1 1 A 61 61 GLY HA2 H 61 4.068 4.166 -0.098 1 1 624 . 16 1 1 A 61 61 GLY HA3 H 61 3.882 4.191 -0.309 1 1 625 . 16 1 1 A 61 61 GLY C C 61 173.560 173.198 0.362 1 1 626 . 16 1 1 A 61 61 GLY CA C 61 44.784 44.744 0.040 1 1 627 . 16 1 1 A 61 61 GLY N N 61 108.839 108.225 0.614 1 1 628 . 16 1 1 A 62 62 LEU H H 62 8.038 8.516 -0.478 1 1 629 . 16 1 1 A 62 62 LEU HA H 62 4.528 4.873 -0.345 1 1 636 . 16 1 1 A 62 62 LEU C C 62 177.058 177.324 -0.266 1 1 637 . 16 1 1 A 62 62 LEU CA C 62 54.038 53.792 0.246 1 1 638 . 16 1 1 A 62 62 LEU CB C 62 42.254 43.774 -1.520 1 1 641 . 16 1 1 A 62 62 LEU N N 62 122.191 123.886 -1.695 1 1 642 . 16 1 1 A 63 63 LYS H H 63 9.378 9.051 0.327 1 1 643 . 16 1 1 A 63 63 LYS HA H 63 4.223 3.982 0.241 1 1 647 . 16 1 1 A 63 63 LYS C C 63 179.928 177.445 2.483 1 1 648 . 16 1 1 A 63 63 LYS CA C 63 58.665 58.827 -0.162 1 1 649 . 16 1 1 A 63 63 LYS CB C 63 31.663 32.318 -0.655 1 1 651 . 16 1 1 A 63 63 LYS N N 63 129.582 124.404 5.178 1 1 652 . 16 1 1 A 64 64 SER H H 64 10.250 7.968 2.282 1 1 653 . 16 1 1 A 64 64 SER HA H 64 4.169 4.359 -0.190 1 1 656 . 16 1 1 A 64 64 SER C C 64 175.569 176.810 -1.241 1 1 657 . 16 1 1 A 64 64 SER CA C 64 61.010 61.174 -0.164 1 1 658 . 16 1 1 A 64 64 SER N N 64 117.647 114.644 3.003 1 1 659 . 16 1 1 A 65 65 PHE H H 65 7.035 7.778 -0.743 1 1 660 . 16 1 1 A 65 65 PHE HA H 65 4.444 4.212 0.232 1 1 663 . 16 1 1 A 65 65 PHE C C 65 176.884 177.013 -0.129 1 1 664 . 16 1 1 A 65 65 PHE CA C 65 61.911 61.205 0.706 1 1 665 . 16 1 1 A 65 65 PHE CB C 65 38.861 39.108 -0.247 1 1 666 . 16 1 1 A 65 65 PHE N N 65 123.056 122.096 0.960 1 1 667 . 16 1 1 A 66 66 THR H H 66 8.475 7.932 0.543 1 1 668 . 16 1 1 A 66 66 THR HA H 66 3.932 3.521 0.411 1 1 673 . 16 1 1 A 66 66 THR C C 66 176.884 176.354 0.530 1 1 674 . 16 1 1 A 66 66 THR CA C 66 66.236 65.635 0.601 1 1 675 . 16 1 1 A 66 66 THR CB C 66 67.993 68.306 -0.313 1 1 677 . 16 1 1 A 66 66 THR N N 66 115.996 115.199 0.797 1 1 678 . 16 1 1 A 67 67 THR H H 67 8.100 7.858 0.242 1 1 679 . 16 1 1 A 67 67 THR HA H 67 3.979 4.181 -0.202 1 1 684 . 16 1 1 A 67 67 THR CA C 67 66.516 65.973 0.543 1 1 685 . 16 1 1 A 67 67 THR CB C 67 68.188 68.355 -0.167 1 1 687 . 16 1 1 A 67 67 THR N N 67 120.365 115.584 4.781 1 1 688 . 16 1 1 A 68 68 MET H H 68 8.134 8.046 0.088 1 1 689 . 16 1 1 A 68 68 MET HA H 68 4.429 3.947 0.482 1 1 697 . 16 1 1 A 68 68 MET C C 68 177.682 178.373 -0.691 1 1 698 . 16 1 1 A 68 68 MET CA C 68 56.239 59.232 -2.993 1 1 699 . 16 1 1 A 68 68 MET CB C 68 30.516 32.775 -2.259 1 1 702 . 16 1 1 A 68 68 MET N N 68 120.545 119.586 0.959 1 1 703 . 16 1 1 A 69 69 GLN H H 69 9.139 7.861 1.278 1 1 704 . 16 1 1 A 69 69 GLN HA H 69 3.694 4.059 -0.365 1 1 711 . 16 1 1 A 69 69 GLN C C 69 177.433 178.836 -1.403 1 1 712 . 16 1 1 A 69 69 GLN CA C 69 59.779 59.038 0.741 1 1 713 . 16 1 1 A 69 69 GLN CB C 69 28.547 28.326 0.221 1 1 715 . 16 1 1 A 69 69 GLN N N 69 120.358 119.104 1.254 1 1 717 . 16 1 1 A 70 70 THR H H 70 7.809 7.807 0.002 1 1 718 . 16 1 1 A 70 70 THR HA H 70 3.979 3.858 0.121 1 1 723 . 16 1 1 A 70 70 THR C C 70 176.394 176.417 -0.023 1 1 724 . 16 1 1 A 70 70 THR CA C 70 66.028 66.659 -0.631 1 1 725 . 16 1 1 A 70 70 THR CB C 70 68.198 68.687 -0.489 1 1 727 . 16 1 1 A 70 70 THR N N 70 116.198 116.217 -0.019 1 1 728 . 16 1 1 A 71 71 ALA H H 71 7.859 8.874 -1.015 1 1 729 . 16 1 1 A 71 71 ALA HA H 71 3.994 4.095 -0.101 1 1 733 . 16 1 1 A 71 71 ALA CA C 71 54.902 55.020 -0.118 1 1 734 . 16 1 1 A 71 71 ALA CB C 71 17.926 18.396 -0.470 1 1 735 . 16 1 1 A 71 71 ALA N N 71 126.667 124.379 2.288 1 1 736 . 16 1 1 A 72 72 LEU H H 72 9.261 8.434 0.827 1 1 737 . 16 1 1 A 72 72 LEU HA H 72 3.915 4.137 -0.222 1 1 743 . 16 1 1 A 72 72 LEU C C 72 179.219 178.527 0.692 1 1 744 . 16 1 1 A 72 72 LEU CA C 72 58.406 57.904 0.502 1 1 745 . 16 1 1 A 72 72 LEU CB C 72 38.744 41.388 -2.644 1 1 747 . 16 1 1 A 72 72 LEU N N 72 119.657 120.698 -1.041 1 1 748 . 16 1 1 A 73 73 ASN H H 73 8.542 7.869 0.673 1 1 749 . 16 1 1 A 73 73 ASN HA H 73 4.606 4.533 0.073 1 1 754 . 16 1 1 A 73 73 ASN CA C 73 55.711 55.995 -0.284 1 1 755 . 16 1 1 A 73 73 ASN CB C 73 37.398 38.097 -0.699 1 1 756 . 16 1 1 A 73 73 ASN N N 73 118.851 117.526 1.325 1 1 758 . 16 1 1 A 74 74 SER H H 74 7.849 7.822 0.027 1 1 759 . 16 1 1 A 74 74 SER HA H 74 4.379 4.181 0.198 1 1 762 . 16 1 1 A 74 74 SER C C 74 175.881 176.086 -0.205 1 1 763 . 16 1 1 A 74 74 SER CA C 74 61.405 62.419 -1.014 1 1 764 . 16 1 1 A 74 74 SER N N 74 118.042 117.655 0.387 1 1 765 . 16 1 1 A 75 75 LEU H H 75 8.084 9.333 -1.249 1 1 766 . 16 1 1 A 75 75 LEU HA H 75 4.181 3.980 0.201 1 1 773 . 16 1 1 A 75 75 LEU C C 75 176.899 179.070 -2.171 1 1 774 . 16 1 1 A 75 75 LEU CA C 75 56.746 58.194 -1.448 1 1 775 . 16 1 1 A 75 75 LEU CB C 75 41.896 41.582 0.314 1 1 777 . 16 1 1 A 75 75 LEU N N 75 124.099 121.691 2.408 1 1 778 . 16 1 1 A 76 76 ALA H H 76 8.695 7.926 0.769 1 1 779 . 16 1 1 A 76 76 ALA HA H 76 4.134 4.206 -0.072 1 1 783 . 16 1 1 A 76 76 ALA C C 76 180.159 180.262 -0.103 1 1 784 . 16 1 1 A 76 76 ALA CA C 76 55.315 55.418 -0.103 1 1 785 . 16 1 1 A 76 76 ALA CB C 76 17.624 18.563 -0.939 1 1 786 . 16 1 1 A 76 76 ALA N N 76 121.934 119.355 2.579 1 1 787 . 16 1 1 A 77 77 GLY H H 77 8.198 8.790 -0.592 1 1 788 . 16 1 1 A 77 77 GLY HA2 H 77 3.917 3.576 0.341 1 1 789 . 16 1 1 A 77 77 GLY HA3 H 77 3.925 3.596 0.329 1 1 790 . 16 1 1 A 77 77 GLY C C 77 175.177 175.533 -0.356 1 1 791 . 16 1 1 A 77 77 GLY CA C 77 46.066 47.047 -0.981 1 1 792 . 16 1 1 A 77 77 GLY N N 77 105.613 105.896 -0.283 1 1 793 . 16 1 1 A 78 78 TYR H H 78 7.973 8.521 -0.548 1 1 794 . 16 1 1 A 78 78 TYR HA H 78 4.326 4.184 0.142 1 1 797 . 16 1 1 A 78 78 TYR C C 78 176.705 177.333 -0.628 1 1 798 . 16 1 1 A 78 78 TYR CA C 78 61.280 60.898 0.382 1 1 799 . 16 1 1 A 78 78 TYR CB C 78 37.737 38.306 -0.569 1 1 800 . 16 1 1 A 78 78 TYR N N 78 123.680 123.059 0.621 1 1 801 . 16 1 1 A 79 79 TYR H H 79 8.347 7.811 0.536 1 1 802 . 16 1 1 A 79 79 TYR HA H 79 4.750 4.019 0.731 1 1 805 . 16 1 1 A 79 79 TYR C C 79 178.135 176.815 1.320 1 1 806 . 16 1 1 A 79 79 TYR CA C 79 57.389 61.594 -4.205 1 1 807 . 16 1 1 A 79 79 TYR CB C 79 36.796 38.816 -2.020 1 1 808 . 16 1 1 A 79 79 TYR N N 79 119.870 120.734 -0.864 1 1 809 . 16 1 1 A 80 80 THR H H 80 8.180 8.992 -0.812 1 1 810 . 16 1 1 A 80 80 THR HA H 80 4.208 3.506 0.702 1 1 815 . 16 1 1 A 80 80 THR C C 80 175.302 174.603 0.699 1 1 816 . 16 1 1 A 80 80 THR CA C 80 64.276 65.476 -1.200 1 1 817 . 16 1 1 A 80 80 THR CB C 80 69.098 68.353 0.745 1 1 819 . 16 1 1 A 80 80 THR N N 80 114.967 114.358 0.609 1 1 820 . 16 1 1 A 81 81 SER H H 81 8.027 7.342 0.685 1 1 821 . 16 1 1 A 81 81 SER HA H 81 4.214 4.506 -0.292 1 1 824 . 16 1 1 A 81 81 SER C C 81 174.305 174.555 -0.250 1 1 825 . 16 1 1 A 81 81 SER CA C 81 60.578 57.208 3.370 1 1 826 . 16 1 1 A 81 81 SER CB C 81 63.385 65.239 -1.854 1 1 827 . 16 1 1 A 81 81 SER N N 81 116.664 115.121 1.543 1 1 828 . 16 1 1 A 82 82 TYR H H 82 8.396 8.923 -0.527 1 1 829 . 16 1 1 A 82 82 TYR HA H 82 4.612 4.512 0.100 1 1 832 . 16 1 1 A 82 82 TYR C C 82 176.069 176.137 -0.068 1 1 833 . 16 1 1 A 82 82 TYR CA C 82 57.676 58.800 -1.124 1 1 834 . 16 1 1 A 82 82 TYR CB C 82 38.160 37.798 0.362 1 1 835 . 16 1 1 A 82 82 TYR N N 82 119.325 123.220 -3.895 1 1 836 . 16 1 1 A 83 83 GLY H H 83 7.982 8.012 -0.030 1 1 837 . 16 1 1 A 83 83 GLY HA2 H 83 4.021 3.826 0.195 1 1 838 . 16 1 1 A 83 83 GLY HA3 H 83 3.877 3.938 -0.061 1 1 839 . 16 1 1 A 83 83 GLY C C 83 178.820 173.996 4.824 1 1 840 . 16 1 1 A 83 83 GLY CA C 83 46.170 45.867 0.303 1 1 841 . 16 1 1 A 83 83 GLY N N 83 111.287 108.224 3.063 1 1 842 . 16 1 1 A 84 84 ALA H H 84 8.505 8.531 -0.026 1 1 843 . 16 1 1 A 84 84 ALA HA H 84 4.619 4.837 -0.218 1 1 847 . 16 1 1 A 84 84 ALA C C 84 176.933 177.530 -0.597 1 1 848 . 16 1 1 A 84 84 ALA CA C 84 51.514 51.394 0.120 1 1 849 . 16 1 1 A 84 84 ALA CB C 84 18.109 19.430 -1.321 1 1 850 . 16 1 1 A 84 84 ALA N N 84 126.408 126.666 -0.258 1 1 851 . 16 1 1 A 85 85 ARG H H 85 8.057 8.163 -0.106 1 1 852 . 16 1 1 A 85 85 ARG HA H 85 4.696 4.644 0.052 1 1 854 . 16 1 1 A 85 85 ARG CA C 85 53.887 57.274 -3.387 1 1 855 . 16 1 1 A 85 85 ARG CB C 85 30.500 33.175 -2.675 1 1 856 . 16 1 1 A 85 85 ARG N N 85 123.060 117.836 5.224 1 1 857 . 16 1 1 A 86 86 PRO HA H 86 4.426 4.707 -0.281 1 1 862 . 16 1 1 A 86 86 PRO CA C 86 62.541 62.515 0.026 1 1 863 . 16 1 1 A 86 86 PRO CB C 86 31.477 31.760 -0.283 1 1 864 . 16 1 1 A 87 87 ILE H H 87 8.449 8.675 -0.226 1 1 865 . 16 1 1 A 87 87 ILE HA H 87 3.821 4.882 -1.061 1 1 875 . 16 1 1 A 87 87 ILE CA C 87 58.300 58.058 0.242 1 1 876 . 16 1 1 A 87 87 ILE CB C 87 37.630 39.627 -1.997 1 1 880 . 16 1 1 A 87 87 ILE N N 87 125.558 123.398 2.160 1 1 881 . 16 1 1 A 88 88 PRO HA H 88 4.425 4.542 -0.117 1 1 884 . 16 1 1 A 88 88 PRO C C 88 177.001 177.022 -0.021 1 1 885 . 16 1 1 A 88 88 PRO CA C 88 62.298 62.792 -0.494 1 1 886 . 16 1 1 A 88 88 PRO CB C 88 32.070 32.920 -0.850 1 1 887 . 16 1 1 A 89 89 GLU H H 89 8.861 8.650 0.211 1 1 888 . 16 1 1 A 89 89 GLU HA H 89 3.871 4.064 -0.193 1 1 891 . 16 1 1 A 89 89 GLU C C 89 177.756 178.520 -0.764 1 1 892 . 16 1 1 A 89 89 GLU CA C 89 59.711 58.923 0.788 1 1 893 . 16 1 1 A 89 89 GLU CB C 89 29.119 29.122 -0.003 1 1 894 . 16 1 1 A 89 89 GLU N N 89 125.518 121.852 3.666 1 1 895 . 16 1 1 A 90 90 LYS H H 90 8.827 7.919 0.908 1 1 896 . 16 1 1 A 90 90 LYS HA H 90 3.969 4.049 -0.080 1 1 899 . 16 1 1 A 90 90 LYS C C 90 178.672 179.712 -1.040 1 1 900 . 16 1 1 A 90 90 LYS CA C 90 59.423 59.377 0.046 1 1 901 . 16 1 1 A 90 90 LYS CB C 90 31.820 32.270 -0.450 1 1 902 . 16 1 1 A 90 90 LYS N N 90 117.281 120.789 -3.508 1 1 903 . 16 1 1 A 91 91 LEU H H 91 6.857 8.362 -1.505 1 1 904 . 16 1 1 A 91 91 LEU HA H 91 4.212 4.028 0.184 1 1 911 . 16 1 1 A 91 91 LEU CA C 91 56.390 57.894 -1.504 1 1 912 . 16 1 1 A 91 91 LEU CB C 91 40.627 41.153 -0.526 1 1 915 . 16 1 1 A 91 91 LEU N N 91 120.818 119.887 0.931 1 1 916 . 16 1 1 A 92 92 LYS H H 92 8.156 8.058 0.098 1 1 917 . 16 1 1 A 92 92 LYS HA H 92 3.558 4.003 -0.445 1 1 925 . 16 1 1 A 92 92 LYS C C 92 177.480 178.689 -1.209 1 1 926 . 16 1 1 A 92 92 LYS CA C 92 60.613 59.614 0.999 1 1 927 . 16 1 1 A 92 92 LYS CB C 92 31.812 31.920 -0.108 1 1 931 . 16 1 1 A 92 92 LYS N N 92 120.663 120.342 0.321 1 1 932 . 16 1 1 A 93 93 LYS H H 93 8.156 9.051 -0.895 1 1 933 . 16 1 1 A 93 93 LYS HA H 93 4.032 3.962 0.070 1 1 936 . 16 1 1 A 93 93 LYS C C 93 178.757 178.345 0.412 1 1 937 . 16 1 1 A 93 93 LYS CA C 93 58.546 59.419 -0.873 1 1 938 . 16 1 1 A 93 93 LYS CB C 93 31.726 32.157 -0.431 1 1 939 . 16 1 1 A 93 93 LYS N N 93 116.478 119.128 -2.650 1 1 940 . 16 1 1 A 94 94 ARG H H 94 7.287 8.258 -0.971 1 1 941 . 16 1 1 A 94 94 ARG HA H 94 4.032 4.085 -0.053 1 1 948 . 16 1 1 A 94 94 ARG C C 94 177.872 178.982 -1.110 1 1 949 . 16 1 1 A 94 94 ARG CA C 94 58.639 58.893 -0.254 1 1 950 . 16 1 1 A 94 94 ARG CB C 94 29.490 29.947 -0.457 1 1 953 . 16 1 1 A 94 94 ARG N N 94 120.980 119.483 1.497 1 1 955 . 16 1 1 A 95 95 LEU H H 95 8.365 9.517 -1.152 1 1 956 . 16 1 1 A 95 95 LEU HA H 95 3.597 4.048 -0.451 1 1 960 . 16 1 1 A 95 95 LEU C C 95 177.342 179.385 -2.043 1 1 961 . 16 1 1 A 95 95 LEU CA C 95 57.009 57.590 -0.581 1 1 962 . 16 1 1 A 95 95 LEU CB C 95 40.718 40.953 -0.235 1 1 964 . 16 1 1 A 95 95 LEU N N 95 119.611 119.663 -0.052 1 1 965 . 16 1 1 A 96 96 GLN H H 96 8.126 9.416 -1.290 1 1 966 . 16 1 1 A 96 96 GLN HA H 96 4.033 4.084 -0.051 1 1 972 . 16 1 1 A 96 96 GLN C C 96 179.502 178.200 1.302 1 1 973 . 16 1 1 A 96 96 GLN CA C 96 58.743 59.047 -0.304 1 1 974 . 16 1 1 A 96 96 GLN CB C 96 27.315 28.445 -1.130 1 1 976 . 16 1 1 A 96 96 GLN N N 96 115.986 119.977 -3.991 1 1 978 . 16 1 1 A 97 97 LEU H H 97 7.574 9.063 -1.489 1 1 979 . 16 1 1 A 97 97 LEU HA H 97 4.176 4.126 0.050 1 1 983 . 16 1 1 A 97 97 LEU CA C 97 57.816 57.753 0.063 1 1 984 . 16 1 1 A 97 97 LEU CB C 97 41.107 42.031 -0.924 1 1 985 . 16 1 1 A 97 97 LEU N N 97 121.721 121.394 0.327 1 1 986 . 16 1 1 A 98 98 GLU H H 98 8.180 9.195 -1.015 1 1 987 . 16 1 1 A 98 98 GLU HA H 98 3.970 3.957 0.013 1 1 989 . 16 1 1 A 98 98 GLU C C 98 178.852 178.908 -0.056 1 1 990 . 16 1 1 A 98 98 GLU CA C 98 59.074 59.564 -0.490 1 1 991 . 16 1 1 A 98 98 GLU CB C 98 28.376 29.277 -0.901 1 1 992 . 16 1 1 A 98 98 GLU N N 98 122.418 119.456 2.962 1 1 993 . 16 1 1 A 99 99 PHE H H 99 8.995 9.292 -0.297 1 1 994 . 16 1 1 A 99 99 PHE HA H 99 4.560 4.084 0.476 1 1 997 . 16 1 1 A 99 99 PHE C C 99 178.050 177.984 0.066 1 1 998 . 16 1 1 A 99 99 PHE CA C 99 57.595 61.251 -3.656 1 1 999 . 16 1 1 A 99 99 PHE CB C 99 36.788 39.213 -2.425 1 1 1000 . 16 1 1 A 99 99 PHE N N 99 118.943 120.679 -1.736 1 1 1001 . 16 1 1 A 100 100 THR H H 100 7.985 9.279 -1.294 1 1 1002 . 16 1 1 A 100 100 THR HA H 100 4.097 4.011 0.086 1 1 1007 . 16 1 1 A 100 100 THR CA C 100 66.567 65.649 0.918 1 1 1008 . 16 1 1 A 100 100 THR CB C 100 68.200 68.531 -0.331 1 1 1010 . 16 1 1 A 100 100 THR N N 100 117.633 113.674 3.959 1 1 1011 . 16 1 1 A 101 101 GLN H H 101 8.160 8.876 -0.716 1 1 1012 . 16 1 1 A 101 101 GLN HA H 101 4.017 4.182 -0.165 1 1 1018 . 16 1 1 A 101 101 GLN C C 101 179.034 177.538 1.496 1 1 1019 . 16 1 1 A 101 101 GLN CA C 101 58.649 57.285 1.364 1 1 1020 . 16 1 1 A 101 101 GLN CB C 101 27.541 29.008 -1.467 1 1 1022 . 16 1 1 A 101 101 GLN N N 101 122.138 120.126 2.012 1 1 1024 . 16 1 1 A 102 102 ALA H H 102 8.768 8.818 -0.050 1 1 1025 . 16 1 1 A 102 102 ALA HA H 102 4.036 4.187 -0.151 1 1 1029 . 16 1 1 A 102 102 ALA C C 102 178.466 178.729 -0.263 1 1 1030 . 16 1 1 A 102 102 ALA CA C 102 55.525 54.880 0.645 1 1 1031 . 16 1 1 A 102 102 ALA CB C 102 18.046 19.194 -1.148 1 1 1032 . 16 1 1 A 102 102 ALA N N 102 124.541 122.151 2.390 1 1 1033 . 16 1 1 A 103 103 GLU H H 103 8.552 9.168 -0.616 1 1 1034 . 16 1 1 A 103 103 GLU HA H 103 3.680 3.781 -0.101 1 1 1039 . 16 1 1 A 103 103 GLU C C 103 178.447 178.610 -0.163 1 1 1040 . 16 1 1 A 103 103 GLU CA C 103 59.802 59.111 0.691 1 1 1041 . 16 1 1 A 103 103 GLU CB C 103 29.672 28.640 1.032 1 1 1043 . 16 1 1 A 103 103 GLU N N 103 120.048 118.709 1.339 1 1 1044 . 16 1 1 A 104 104 ARG H H 104 8.242 8.206 0.036 1 1 1045 . 16 1 1 A 104 104 ARG HA H 104 4.214 3.996 0.218 1 1 1048 . 16 1 1 A 104 104 ARG C C 104 178.958 178.447 0.511 1 1 1049 . 16 1 1 A 104 104 ARG CA C 104 58.135 59.267 -1.132 1 1 1050 . 16 1 1 A 104 104 ARG CB C 104 29.742 29.956 -0.214 1 1 1051 . 16 1 1 A 104 104 ARG N N 104 119.448 120.204 -0.756 1 1 1052 . 16 1 1 A 105 105 SER H H 105 8.087 7.649 0.438 1 1 1053 . 16 1 1 A 105 105 SER HA H 105 4.290 4.230 0.060 1 1 1056 . 16 1 1 A 105 105 SER CA C 105 61.917 62.363 -0.446 1 1 1057 . 16 1 1 A 105 105 SER N N 105 117.329 116.520 0.809 1 1 1058 . 16 1 1 A 106 106 ILE H H 106 8.403 7.987 0.416 1 1 1059 . 16 1 1 A 106 106 ILE HA H 106 4.113 3.571 0.542 1 1 1069 . 16 1 1 A 106 106 ILE CA C 106 61.487 65.236 -3.749 1 1 1070 . 16 1 1 A 106 106 ILE CB C 106 35.600 37.385 -1.785 1 1 1074 . 16 1 1 A 106 106 ILE N N 106 124.394 121.156 3.238 1 1 1075 . 16 1 1 A 107 107 GLU H H 107 8.187 8.485 -0.298 1 1 1076 . 16 1 1 A 107 107 GLU HA H 107 4.126 4.025 0.101 1 1 1079 . 16 1 1 A 107 107 GLU C C 107 177.494 178.852 -1.358 1 1 1080 . 16 1 1 A 107 107 GLU CA C 107 58.849 59.135 -0.286 1 1 1081 . 16 1 1 A 107 107 GLU CB C 107 29.052 29.633 -0.581 1 1 1082 . 16 1 1 A 107 107 GLU N N 107 123.223 120.595 2.628 1 1 1083 . 16 1 1 A 108 108 ARG H H 108 7.651 7.789 -0.138 1 1 1084 . 16 1 1 A 108 108 ARG HA H 108 4.431 4.188 0.243 1 1 1090 . 16 1 1 A 108 108 ARG C C 108 175.927 176.377 -0.450 1 1 1091 . 16 1 1 A 108 108 ARG CA C 108 55.584 57.479 -1.895 1 1 1092 . 16 1 1 A 108 108 ARG CB C 108 30.806 30.599 0.207 1 1 1094 . 16 1 1 A 108 108 ARG N N 108 117.394 117.038 0.356 1 1 1095 . 16 1 1 A 109 109 GLY H H 109 8.190 7.603 0.587 1 1 1096 . 16 1 1 A 109 109 GLY HA2 H 109 4.141 3.994 0.147 1 1 1097 . 16 1 1 A 109 109 GLY HA3 H 109 4.060 3.998 0.062 1 1 1098 . 16 1 1 A 109 109 GLY C C 109 174.031 174.828 -0.797 1 1 1099 . 16 1 1 A 109 109 GLY CA C 109 45.823 44.976 0.847 1 1 1100 . 16 1 1 A 109 109 GLY N N 109 110.712 105.948 4.764 1 1 7 . 17 1 1 A 2 2 ASP H H 2 8.644 8.915 -0.271 1 1 8 . 17 1 1 A 2 2 ASP HA H 2 4.373 4.724 -0.351 1 1 11 . 17 1 1 A 2 2 ASP C C 2 178.938 175.007 3.931 1 1 12 . 17 1 1 A 2 2 ASP CA C 2 53.794 54.768 -0.974 1 1 13 . 17 1 1 A 2 2 ASP CB C 2 41.025 41.855 -0.830 1 1 14 . 17 1 1 A 2 2 ASP N N 2 122.106 126.250 -4.144 1 1 15 . 17 1 1 A 3 3 SER H H 3 8.508 8.349 0.159 1 1 16 . 17 1 1 A 3 3 SER HA H 3 4.331 4.911 -0.580 1 1 19 . 17 1 1 A 3 3 SER C C 3 174.777 173.978 0.799 1 1 20 . 17 1 1 A 3 3 SER CA C 3 58.141 57.426 0.715 1 1 21 . 17 1 1 A 3 3 SER CB C 3 63.359 65.644 -2.285 1 1 22 . 17 1 1 A 3 3 SER N N 3 117.604 112.061 5.543 1 1 23 . 17 1 1 A 4 4 GLY H H 4 8.603 9.072 -0.469 1 1 24 . 17 1 1 A 4 4 GLY HA2 H 4 4.130 4.204 -0.074 1 1 25 . 17 1 1 A 4 4 GLY HA3 H 4 4.076 4.208 -0.132 1 1 26 . 17 1 1 A 4 4 GLY C C 4 174.283 173.566 0.717 1 1 27 . 17 1 1 A 4 4 GLY CA C 4 45.054 44.647 0.407 1 1 28 . 17 1 1 A 4 4 GLY N N 4 111.842 110.871 0.971 1 1 29 . 17 1 1 A 5 5 THR H H 5 8.140 8.521 -0.381 1 1 30 . 17 1 1 A 5 5 THR HA H 5 4.371 4.562 -0.191 1 1 35 . 17 1 1 A 5 5 THR C C 5 174.827 175.459 -0.632 1 1 36 . 17 1 1 A 5 5 THR CA C 5 61.515 63.275 -1.760 1 1 37 . 17 1 1 A 5 5 THR CB C 5 69.683 71.107 -1.424 1 1 39 . 17 1 1 A 5 5 THR N N 5 112.188 114.445 -2.257 1 1 40 . 17 1 1 A 6 6 GLY H H 6 8.425 8.109 0.316 1 1 41 . 17 1 1 A 6 6 GLY HA2 H 6 4.109 3.991 0.118 1 1 42 . 17 1 1 A 6 6 GLY HA3 H 6 3.875 4.010 -0.135 1 1 43 . 17 1 1 A 6 6 GLY C C 6 173.670 175.307 -1.637 1 1 44 . 17 1 1 A 6 6 GLY CA C 6 44.466 46.336 -1.870 1 1 45 . 17 1 1 A 6 6 GLY N N 6 110.955 108.389 2.566 1 1 46 . 17 1 1 A 7 7 LEU H H 7 7.993 7.995 -0.002 1 1 47 . 17 1 1 A 7 7 LEU HA H 7 4.503 3.916 0.587 1 1 53 . 17 1 1 A 7 7 LEU C C 7 177.284 176.754 0.530 1 1 54 . 17 1 1 A 7 7 LEU CA C 7 54.741 57.254 -2.513 1 1 55 . 17 1 1 A 7 7 LEU CB C 7 39.284 41.763 -2.479 1 1 58 . 17 1 1 A 7 7 LEU N N 7 121.268 120.955 0.313 1 1 59 . 17 1 1 A 8 8 THR H H 8 10.385 7.467 2.918 1 1 60 . 17 1 1 A 8 8 THR HA H 8 4.521 4.359 0.162 1 1 65 . 17 1 1 A 8 8 THR C C 8 176.965 175.282 1.683 1 1 66 . 17 1 1 A 8 8 THR CA C 8 64.563 62.212 2.351 1 1 67 . 17 1 1 A 8 8 THR CB C 8 71.946 71.605 0.341 1 1 69 . 17 1 1 A 8 8 THR N N 8 113.472 109.521 3.951 1 1 70 . 17 1 1 A 9 9 GLY H H 9 9.733 7.724 2.009 1 1 71 . 17 1 1 A 9 9 GLY HA2 H 9 4.391 3.514 0.877 1 1 72 . 17 1 1 A 9 9 GLY HA3 H 9 3.805 3.852 -0.047 1 1 73 . 17 1 1 A 9 9 GLY C C 9 173.133 173.997 -0.864 1 1 74 . 17 1 1 A 9 9 GLY CA C 9 45.453 44.758 0.695 1 1 75 . 17 1 1 A 9 9 GLY N N 9 114.948 109.413 5.535 1 1 76 . 17 1 1 A 10 10 ASN H H 10 7.664 7.936 -0.272 1 1 77 . 17 1 1 A 10 10 ASN HA H 10 4.906 4.947 -0.041 1 1 82 . 17 1 1 A 10 10 ASN C C 10 173.098 174.604 -1.506 1 1 83 . 17 1 1 A 10 10 ASN CA C 10 51.504 53.806 -2.302 1 1 84 . 17 1 1 A 10 10 ASN CB C 10 38.449 40.069 -1.620 1 1 85 . 17 1 1 A 10 10 ASN N N 10 120.991 119.357 1.634 1 1 87 . 17 1 1 A 11 11 TYR H H 11 8.892 8.605 0.287 1 1 88 . 17 1 1 A 11 11 TYR HA H 11 3.767 4.976 -1.209 1 1 91 . 17 1 1 A 11 11 TYR C C 11 177.871 177.336 0.535 1 1 92 . 17 1 1 A 11 11 TYR CA C 11 61.897 59.137 2.760 1 1 93 . 17 1 1 A 11 11 TYR CB C 11 38.099 39.951 -1.852 1 1 94 . 17 1 1 A 11 11 TYR N N 11 128.653 118.551 10.102 1 1 95 . 17 1 1 A 12 12 SER H H 12 8.729 9.057 -0.328 1 1 96 . 17 1 1 A 12 12 SER HA H 12 3.747 4.366 -0.619 1 1 99 . 17 1 1 A 12 12 SER C C 12 174.675 176.299 -1.624 1 1 100 . 17 1 1 A 12 12 SER CA C 12 62.371 62.058 0.313 1 1 101 . 17 1 1 A 12 12 SER CB C 12 61.600 62.812 -1.212 1 1 102 . 17 1 1 A 12 12 SER N N 12 119.446 116.912 2.534 1 1 103 . 17 1 1 A 13 13 GLN H H 13 7.645 8.207 -0.562 1 1 104 . 17 1 1 A 13 13 GLN HA H 13 3.955 3.988 -0.033 1 1 110 . 17 1 1 A 13 13 GLN C C 13 178.400 178.167 0.233 1 1 111 . 17 1 1 A 13 13 GLN CA C 13 58.083 59.171 -1.088 1 1 112 . 17 1 1 A 13 13 GLN CB C 13 28.328 28.263 0.065 1 1 114 . 17 1 1 A 13 13 GLN N N 13 121.234 121.316 -0.082 1 1 116 . 17 1 1 A 14 14 ASP H H 14 9.314 8.577 0.737 1 1 117 . 17 1 1 A 14 14 ASP HA H 14 4.513 4.370 0.143 1 1 120 . 17 1 1 A 14 14 ASP C C 14 177.320 178.125 -0.805 1 1 121 . 17 1 1 A 14 14 ASP CA C 14 56.778 56.840 -0.062 1 1 122 . 17 1 1 A 14 14 ASP CB C 14 40.380 39.486 0.894 1 1 123 . 17 1 1 A 14 14 ASP N N 14 120.095 118.459 1.636 1 1 124 . 17 1 1 A 15 15 THR H H 15 8.283 7.932 0.351 1 1 125 . 17 1 1 A 15 15 THR HA H 15 3.637 3.951 -0.314 1 1 130 . 17 1 1 A 15 15 THR C C 15 174.455 176.048 -1.593 1 1 131 . 17 1 1 A 15 15 THR CA C 15 67.657 67.533 0.124 1 1 132 . 17 1 1 A 15 15 THR CB C 15 67.465 68.533 -1.068 1 1 134 . 17 1 1 A 15 15 THR N N 15 117.657 116.492 1.165 1 1 135 . 17 1 1 A 16 16 LEU H H 16 7.452 8.110 -0.658 1 1 136 . 17 1 1 A 16 16 LEU HA H 16 3.919 3.946 -0.027 1 1 140 . 17 1 1 A 16 16 LEU C C 16 179.666 178.852 0.814 1 1 141 . 17 1 1 A 16 16 LEU CA C 16 57.864 58.107 -0.243 1 1 142 . 17 1 1 A 16 16 LEU CB C 16 39.811 41.520 -1.709 1 1 144 . 17 1 1 A 16 16 LEU N N 16 120.034 120.405 -0.371 1 1 145 . 17 1 1 A 17 17 THR H H 17 8.708 7.534 1.174 1 1 146 . 17 1 1 A 17 17 THR HA H 17 3.893 3.941 -0.048 1 1 151 . 17 1 1 A 17 17 THR C C 17 179.666 177.055 2.611 1 1 152 . 17 1 1 A 17 17 THR CA C 17 66.152 66.443 -0.291 1 1 153 . 17 1 1 A 17 17 THR CB C 17 67.921 68.512 -0.591 1 1 155 . 17 1 1 A 17 17 THR N N 17 121.382 115.752 5.630 1 1 156 . 17 1 1 A 18 18 VAL H H 18 8.194 8.609 -0.415 1 1 157 . 17 1 1 A 18 18 VAL HA H 18 3.705 3.544 0.161 1 1 165 . 17 1 1 A 18 18 VAL C C 18 177.242 177.946 -0.704 1 1 166 . 17 1 1 A 18 18 VAL CA C 18 65.886 66.885 -0.999 1 1 167 . 17 1 1 A 18 18 VAL CB C 18 30.729 31.805 -1.076 1 1 170 . 17 1 1 A 18 18 VAL N N 18 123.227 121.922 1.305 1 1 171 . 17 1 1 A 19 19 ILE H H 19 7.933 9.283 -1.350 1 1 172 . 17 1 1 A 19 19 ILE HA H 19 2.633 3.675 -1.042 1 1 182 . 17 1 1 A 19 19 ILE C C 19 176.276 178.169 -1.893 1 1 183 . 17 1 1 A 19 19 ILE CA C 19 66.137 65.339 0.798 1 1 184 . 17 1 1 A 19 19 ILE CB C 19 37.782 37.575 0.207 1 1 188 . 17 1 1 A 19 19 ILE N N 19 119.786 118.550 1.236 1 1 189 . 17 1 1 A 20 20 ALA H H 20 7.782 7.719 0.063 1 1 190 . 17 1 1 A 20 20 ALA HA H 20 3.972 4.159 -0.187 1 1 194 . 17 1 1 A 20 20 ALA C C 20 180.867 179.723 1.144 1 1 195 . 17 1 1 A 20 20 ALA CA C 20 55.170 55.349 -0.179 1 1 196 . 17 1 1 A 20 20 ALA CB C 20 17.282 18.374 -1.092 1 1 197 . 17 1 1 A 20 20 ALA N N 20 121.793 123.445 -1.652 1 1 198 . 17 1 1 A 21 21 THR H H 21 8.573 8.062 0.511 1 1 199 . 17 1 1 A 21 21 THR HA H 21 3.902 3.888 0.014 1 1 204 . 17 1 1 A 21 21 THR C C 21 176.720 176.812 -0.092 1 1 205 . 17 1 1 A 21 21 THR CA C 21 65.200 66.636 -1.436 1 1 206 . 17 1 1 A 21 21 THR CB C 21 68.092 67.870 0.222 1 1 208 . 17 1 1 A 21 21 THR N N 21 118.393 114.283 4.110 1 1 209 . 17 1 1 A 22 22 LEU H H 22 8.583 7.993 0.590 1 1 210 . 17 1 1 A 22 22 LEU HA H 22 4.065 3.933 0.132 1 1 217 . 17 1 1 A 22 22 LEU C C 22 178.284 179.306 -1.022 1 1 218 . 17 1 1 A 22 22 LEU CA C 22 57.005 57.632 -0.627 1 1 219 . 17 1 1 A 22 22 LEU CB C 22 40.209 41.494 -1.285 1 1 223 . 17 1 1 A 22 22 LEU N N 22 122.517 121.787 0.730 1 1 224 . 17 1 1 A 23 23 ARG H H 23 8.858 8.185 0.673 1 1 225 . 17 1 1 A 23 23 ARG HA H 23 3.873 3.995 -0.122 1 1 230 . 17 1 1 A 23 23 ARG C C 23 178.503 178.987 -0.484 1 1 231 . 17 1 1 A 23 23 ARG CA C 23 60.362 59.032 1.330 1 1 232 . 17 1 1 A 23 23 ARG CB C 23 29.808 29.420 0.388 1 1 235 . 17 1 1 A 23 23 ARG N N 23 120.502 117.998 2.504 1 1 237 . 17 1 1 A 24 24 GLU H H 24 7.250 8.652 -1.402 1 1 238 . 17 1 1 A 24 24 GLU HA H 24 4.109 3.809 0.300 1 1 243 . 17 1 1 A 24 24 GLU CA C 24 58.312 58.804 -0.492 1 1 244 . 17 1 1 A 24 24 GLU CB C 24 29.024 28.918 0.106 1 1 246 . 17 1 1 A 24 24 GLU N N 24 117.221 119.214 -1.993 1 1 247 . 17 1 1 A 25 25 ALA H H 25 8.223 7.763 0.460 1 1 248 . 17 1 1 A 25 25 ALA HA H 25 3.983 4.027 -0.044 1 1 252 . 17 1 1 A 25 25 ALA C C 25 180.617 179.351 1.266 1 1 253 . 17 1 1 A 25 25 ALA CA C 25 55.203 55.115 0.088 1 1 254 . 17 1 1 A 25 25 ALA CB C 25 17.657 18.056 -0.399 1 1 255 . 17 1 1 A 25 25 ALA N N 25 121.823 122.146 -0.323 1 1 256 . 17 1 1 A 26 26 ILE H H 26 8.552 7.729 0.823 1 1 257 . 17 1 1 A 26 26 ILE HA H 26 4.144 3.736 0.408 1 1 267 . 17 1 1 A 26 26 ILE C C 26 175.586 176.187 -0.601 1 1 268 . 17 1 1 A 26 26 ILE CA C 26 63.790 63.070 0.720 1 1 269 . 17 1 1 A 26 26 ILE CB C 26 37.496 37.458 0.038 1 1 273 . 17 1 1 A 26 26 ILE N N 26 112.838 118.796 -5.958 1 1 274 . 17 1 1 A 27 27 ASP H H 27 7.175 7.440 -0.265 1 1 275 . 17 1 1 A 27 27 ASP HA H 27 4.934 4.720 0.214 1 1 278 . 17 1 1 A 27 27 ASP C C 27 175.602 174.703 0.899 1 1 279 . 17 1 1 A 27 27 ASP CA C 27 53.160 52.571 0.589 1 1 280 . 17 1 1 A 27 27 ASP CB C 27 41.754 41.465 0.289 1 1 281 . 17 1 1 A 27 27 ASP N N 27 120.840 121.259 -0.419 1 1 282 . 17 1 1 A 28 28 LEU H H 28 7.136 7.199 -0.063 1 1 283 . 17 1 1 A 28 28 LEU HA H 28 4.510 4.669 -0.159 1 1 290 . 17 1 1 A 28 28 LEU CA C 28 53.379 52.859 0.520 1 1 291 . 17 1 1 A 28 28 LEU CB C 28 42.286 41.877 0.409 1 1 294 . 17 1 1 A 28 28 LEU N N 28 124.155 118.939 5.216 1 1 295 . 17 1 1 A 29 29 PRO HA H 29 4.552 4.488 0.064 1 1 301 . 17 1 1 A 29 29 PRO C C 29 177.414 177.211 0.203 1 1 302 . 17 1 1 A 29 29 PRO CA C 29 62.506 62.800 -0.294 1 1 303 . 17 1 1 A 29 29 PRO CB C 29 32.263 32.552 -0.289 1 1 305 . 17 1 1 A 30 30 GLN H H 30 8.935 8.579 0.356 1 1 306 . 17 1 1 A 30 30 GLN HA H 30 3.966 4.094 -0.128 1 1 311 . 17 1 1 A 30 30 GLN C C 30 175.595 176.348 -0.753 1 1 312 . 17 1 1 A 30 30 GLN CA C 30 58.036 58.225 -0.189 1 1 313 . 17 1 1 A 30 30 GLN CB C 30 28.116 28.427 -0.311 1 1 315 . 17 1 1 A 30 30 GLN N N 30 122.119 121.344 0.775 1 1 317 . 17 1 1 A 31 31 ASP H H 31 8.353 8.089 0.264 1 1 318 . 17 1 1 A 31 31 ASP HA H 31 4.682 4.630 0.052 1 1 321 . 17 1 1 A 31 31 ASP C C 31 175.518 175.844 -0.326 1 1 322 . 17 1 1 A 31 31 ASP CA C 31 52.178 54.752 -2.574 1 1 323 . 17 1 1 A 31 31 ASP CB C 31 39.270 41.269 -1.999 1 1 324 . 17 1 1 A 31 31 ASP N N 31 115.909 117.922 -2.013 1 1 325 . 17 1 1 A 32 32 ALA H H 32 7.467 7.614 -0.147 1 1 326 . 17 1 1 A 32 32 ALA HA H 32 4.564 4.786 -0.222 1 1 330 . 17 1 1 A 32 32 ALA CA C 32 50.496 49.901 0.595 1 1 331 . 17 1 1 A 32 32 ALA CB C 32 17.852 19.019 -1.167 1 1 332 . 17 1 1 A 32 32 ALA N N 32 124.893 121.955 2.938 1 1 333 . 17 1 1 A 33 33 PRO HA H 33 4.494 4.475 0.019 1 1 339 . 17 1 1 A 33 33 PRO C C 33 176.278 175.926 0.352 1 1 340 . 17 1 1 A 33 33 PRO CA C 33 63.894 63.615 0.279 1 1 341 . 17 1 1 A 33 33 PRO CB C 33 31.354 31.040 0.314 1 1 344 . 17 1 1 A 34 34 ASN H H 34 8.577 8.887 -0.310 1 1 345 . 17 1 1 A 34 34 ASN HA H 34 5.041 5.227 -0.186 1 1 350 . 17 1 1 A 34 34 ASN C C 34 174.678 175.919 -1.241 1 1 351 . 17 1 1 A 34 34 ASN CA C 34 51.792 51.664 0.128 1 1 352 . 17 1 1 A 34 34 ASN CB C 34 36.334 38.368 -2.034 1 1 353 . 17 1 1 A 34 34 ASN N N 34 115.598 115.744 -0.146 1 1 355 . 17 1 1 A 35 35 ARG H H 35 7.401 8.564 -1.163 1 1 356 . 17 1 1 A 35 35 ARG HA H 35 3.726 4.077 -0.351 1 1 363 . 17 1 1 A 35 35 ARG C C 35 176.887 178.552 -1.665 1 1 364 . 17 1 1 A 35 35 ARG CA C 35 60.063 59.172 0.891 1 1 365 . 17 1 1 A 35 35 ARG CB C 35 29.571 29.979 -0.408 1 1 368 . 17 1 1 A 35 35 ARG N N 35 119.690 123.392 -3.702 1 1 370 . 17 1 1 A 36 36 GLN H H 36 8.780 7.998 0.782 1 1 371 . 17 1 1 A 36 36 GLN HA H 36 3.805 4.222 -0.417 1 1 377 . 17 1 1 A 36 36 GLN CA C 36 58.618 58.628 -0.010 1 1 378 . 17 1 1 A 36 36 GLN CB C 36 27.595 28.511 -0.916 1 1 380 . 17 1 1 A 36 36 GLN N N 36 119.100 117.835 1.265 1 1 382 . 17 1 1 A 37 37 GLU H H 37 8.128 7.844 0.284 1 1 383 . 17 1 1 A 37 37 GLU HA H 37 4.137 4.019 0.118 1 1 387 . 17 1 1 A 37 37 GLU C C 37 179.222 179.382 -0.160 1 1 388 . 17 1 1 A 37 37 GLU CA C 37 59.336 59.254 0.082 1 1 389 . 17 1 1 A 37 37 GLU CB C 37 28.781 29.364 -0.583 1 1 391 . 17 1 1 A 37 37 GLU N N 37 120.485 120.617 -0.132 1 1 392 . 17 1 1 A 38 38 VAL H H 38 8.127 7.678 0.449 1 1 393 . 17 1 1 A 38 38 VAL HA H 38 3.708 3.615 0.093 1 1 401 . 17 1 1 A 38 38 VAL C C 38 178.246 177.905 0.341 1 1 402 . 17 1 1 A 38 38 VAL CA C 38 66.019 66.518 -0.499 1 1 403 . 17 1 1 A 38 38 VAL CB C 38 31.008 31.645 -0.637 1 1 406 . 17 1 1 A 38 38 VAL N N 38 121.937 120.463 1.474 1 1 407 . 17 1 1 A 39 39 GLN H H 39 8.324 7.639 0.685 1 1 408 . 17 1 1 A 39 39 GLN HA H 39 3.764 3.935 -0.171 1 1 415 . 17 1 1 A 39 39 GLN C C 39 177.642 177.744 -0.102 1 1 416 . 17 1 1 A 39 39 GLN CA C 39 59.019 58.862 0.157 1 1 417 . 17 1 1 A 39 39 GLN CB C 39 27.176 28.238 -1.062 1 1 419 . 17 1 1 A 39 39 GLN N N 39 120.203 120.174 0.029 1 1 421 . 17 1 1 A 40 40 ASP H H 40 8.699 8.366 0.333 1 1 422 . 17 1 1 A 40 40 ASP HA H 40 4.391 4.300 0.091 1 1 425 . 17 1 1 A 40 40 ASP C C 40 179.726 178.578 1.148 1 1 426 . 17 1 1 A 40 40 ASP CA C 40 57.267 57.521 -0.254 1 1 427 . 17 1 1 A 40 40 ASP CB C 40 39.458 41.593 -2.135 1 1 428 . 17 1 1 A 40 40 ASP N N 40 121.604 119.861 1.743 1 1 429 . 17 1 1 A 41 41 THR H H 41 8.449 7.714 0.735 1 1 430 . 17 1 1 A 41 41 THR HA H 41 3.981 3.873 0.108 1 1 435 . 17 1 1 A 41 41 THR CA C 41 66.254 65.550 0.704 1 1 436 . 17 1 1 A 41 41 THR CB C 41 67.937 68.447 -0.510 1 1 437 . 17 1 1 A 41 41 THR N N 41 121.386 116.052 5.334 1 1 438 . 17 1 1 A 42 42 ALA H H 42 8.552 8.070 0.482 1 1 439 . 17 1 1 A 42 42 ALA HA H 42 3.876 3.907 -0.031 1 1 443 . 17 1 1 A 42 42 ALA C C 42 178.300 179.645 -1.345 1 1 444 . 17 1 1 A 42 42 ALA CA C 42 55.244 55.232 0.012 1 1 445 . 17 1 1 A 42 42 ALA CB C 42 17.295 17.961 -0.666 1 1 446 . 17 1 1 A 42 42 ALA N N 42 126.245 123.573 2.672 1 1 447 . 17 1 1 A 43 43 ARG H H 43 8.553 8.646 -0.093 1 1 448 . 17 1 1 A 43 43 ARG HA H 43 3.923 3.965 -0.042 1 1 451 . 17 1 1 A 43 43 ARG C C 43 178.522 178.731 -0.209 1 1 452 . 17 1 1 A 43 43 ARG CA C 43 59.680 59.628 0.052 1 1 453 . 17 1 1 A 43 43 ARG CB C 43 29.887 30.093 -0.206 1 1 454 . 17 1 1 A 43 43 ARG N N 43 117.705 119.157 -1.452 1 1 455 . 17 1 1 A 44 44 GLY H H 44 8.049 7.751 0.298 1 1 456 . 17 1 1 A 44 44 GLY HA2 H 44 4.066 3.774 0.292 1 1 457 . 17 1 1 A 44 44 GLY HA3 H 44 3.972 3.777 0.195 1 1 458 . 17 1 1 A 44 44 GLY CA C 44 46.710 47.037 -0.327 1 1 459 . 17 1 1 A 44 44 GLY N N 44 106.443 106.667 -0.224 1 1 460 . 17 1 1 A 45 45 GLN H H 45 8.305 7.727 0.578 1 1 461 . 17 1 1 A 45 45 GLN HA H 45 4.204 4.245 -0.041 1 1 466 . 17 1 1 A 45 45 GLN C C 45 177.942 178.564 -0.622 1 1 467 . 17 1 1 A 45 45 GLN CA C 45 59.930 58.635 1.295 1 1 468 . 17 1 1 A 45 45 GLN CB C 45 28.520 28.534 -0.014 1 1 470 . 17 1 1 A 45 45 GLN N N 45 123.780 120.969 2.811 1 1 472 . 17 1 1 A 46 46 ILE H H 46 8.673 7.669 1.004 1 1 473 . 17 1 1 A 46 46 ILE HA H 46 3.594 3.868 -0.274 1 1 483 . 17 1 1 A 46 46 ILE C C 46 176.649 177.754 -1.105 1 1 484 . 17 1 1 A 46 46 ILE CA C 46 66.299 64.477 1.822 1 1 485 . 17 1 1 A 46 46 ILE CB C 46 37.762 37.395 0.367 1 1 489 . 17 1 1 A 46 46 ILE N N 46 120.050 119.010 1.040 1 1 490 . 17 1 1 A 47 47 ASN H H 47 7.866 8.031 -0.165 1 1 491 . 17 1 1 A 47 47 ASN HA H 47 4.525 4.506 0.019 1 1 495 . 17 1 1 A 47 47 ASN C C 47 176.649 177.184 -0.535 1 1 496 . 17 1 1 A 47 47 ASN CA C 47 55.703 56.811 -1.108 1 1 497 . 17 1 1 A 47 47 ASN CB C 47 37.925 39.917 -1.992 1 1 498 . 17 1 1 A 47 47 ASN N N 47 116.444 119.803 -3.359 1 1 500 . 17 1 1 A 48 48 ASP H H 48 8.185 7.964 0.221 1 1 501 . 17 1 1 A 48 48 ASP HA H 48 4.460 4.421 0.039 1 1 504 . 17 1 1 A 48 48 ASP C C 48 176.285 178.140 -1.855 1 1 505 . 17 1 1 A 48 48 ASP CA C 48 56.635 57.383 -0.748 1 1 506 . 17 1 1 A 48 48 ASP CB C 48 41.593 41.133 0.460 1 1 507 . 17 1 1 A 48 48 ASP N N 48 121.725 117.985 3.740 1 1 508 . 17 1 1 A 49 49 TYR H H 49 8.756 9.081 -0.325 1 1 509 . 17 1 1 A 49 49 TYR HA H 49 3.892 4.661 -0.769 1 1 512 . 17 1 1 A 49 49 TYR C C 49 176.432 177.214 -0.782 1 1 513 . 17 1 1 A 49 49 TYR CA C 49 62.617 61.644 0.973 1 1 514 . 17 1 1 A 49 49 TYR CB C 49 39.188 38.763 0.425 1 1 515 . 17 1 1 A 49 49 TYR N N 49 121.005 121.880 -0.875 1 1 516 . 17 1 1 A 50 50 ILE H H 50 8.481 9.159 -0.678 1 1 517 . 17 1 1 A 50 50 ILE HA H 50 3.901 3.944 -0.043 1 1 527 . 17 1 1 A 50 50 ILE C C 50 177.407 177.209 0.198 1 1 528 . 17 1 1 A 50 50 ILE CA C 50 63.893 63.594 0.299 1 1 529 . 17 1 1 A 50 50 ILE CB C 50 36.668 37.875 -1.207 1 1 533 . 17 1 1 A 50 50 ILE N N 50 117.237 120.279 -3.042 1 1 534 . 17 1 1 A 51 51 SER H H 51 7.870 7.812 0.058 1 1 535 . 17 1 1 A 51 51 SER HA H 51 4.203 4.554 -0.351 1 1 538 . 17 1 1 A 51 51 SER C C 51 177.413 174.384 3.029 1 1 539 . 17 1 1 A 51 51 SER CA C 51 61.003 57.993 3.010 1 1 540 . 17 1 1 A 51 51 SER CB C 51 62.711 63.398 -0.687 1 1 541 . 17 1 1 A 51 51 SER N N 51 113.635 112.072 1.563 1 1 542 . 17 1 1 A 52 52 ARG H H 52 8.386 7.881 0.505 1 1 543 . 17 1 1 A 52 52 ARG HA H 52 3.816 4.582 -0.766 1 1 551 . 17 1 1 A 52 52 ARG C C 52 178.788 175.069 3.719 1 1 552 . 17 1 1 A 52 52 ARG CA C 52 58.343 57.345 0.998 1 1 553 . 17 1 1 A 52 52 ARG CB C 52 30.053 33.123 -3.070 1 1 556 . 17 1 1 A 52 52 ARG N N 52 120.787 120.591 0.196 1 1 558 . 17 1 1 A 53 53 TYR H H 53 7.428 8.171 -0.743 1 1 559 . 17 1 1 A 53 53 TYR HA H 53 4.667 4.623 0.044 1 1 562 . 17 1 1 A 53 53 TYR C C 53 174.743 174.896 -0.153 1 1 563 . 17 1 1 A 53 53 TYR CA C 53 57.922 56.412 1.510 1 1 564 . 17 1 1 A 53 53 TYR CB C 53 38.030 38.389 -0.359 1 1 565 . 17 1 1 A 53 53 TYR N N 53 115.269 118.713 -3.444 1 1 566 . 17 1 1 A 54 54 ARG H H 54 7.775 8.060 -0.285 1 1 567 . 17 1 1 A 54 54 ARG HA H 54 4.249 3.088 1.161 1 1 570 . 17 1 1 A 54 54 ARG C C 54 177.121 176.307 0.814 1 1 571 . 17 1 1 A 54 54 ARG CA C 54 58.720 56.900 1.820 1 1 572 . 17 1 1 A 54 54 ARG CB C 54 29.345 31.090 -1.745 1 1 573 . 17 1 1 A 54 54 ARG N N 54 120.518 126.987 -6.469 1 1 574 . 17 1 1 A 55 55 ARG H H 55 8.319 7.456 0.863 1 1 575 . 17 1 1 A 55 55 ARG HA H 55 4.249 4.022 0.227 1 1 577 . 17 1 1 A 55 55 ARG C C 55 177.395 175.431 1.964 1 1 578 . 17 1 1 A 55 55 ARG CA C 55 56.766 55.802 0.964 1 1 579 . 17 1 1 A 55 55 ARG CB C 55 29.231 30.863 -1.632 1 1 580 . 17 1 1 A 55 55 ARG N N 55 119.094 119.423 -0.329 1 1 581 . 17 1 1 A 56 56 LYS H H 56 8.062 8.483 -0.421 1 1 582 . 17 1 1 A 56 56 LYS HA H 56 4.069 4.768 -0.699 1 1 588 . 17 1 1 A 56 56 LYS C C 56 177.177 177.221 -0.044 1 1 589 . 17 1 1 A 56 56 LYS CA C 56 56.740 54.109 2.631 1 1 590 . 17 1 1 A 56 56 LYS CB C 56 31.291 34.946 -3.655 1 1 594 . 17 1 1 A 56 56 LYS N N 56 121.271 125.234 -3.963 1 1 595 . 17 1 1 A 57 57 GLY H H 57 8.138 8.785 -0.647 1 1 596 . 17 1 1 A 57 57 GLY HA2 H 57 4.055 3.986 0.069 1 1 597 . 17 1 1 A 57 57 GLY HA3 H 57 3.766 3.991 -0.225 1 1 598 . 17 1 1 A 57 57 GLY C C 57 174.196 173.918 0.278 1 1 599 . 17 1 1 A 57 57 GLY CA C 57 45.336 46.773 -1.437 1 1 600 . 17 1 1 A 57 57 GLY N N 57 108.747 109.228 -0.481 1 1 601 . 17 1 1 A 58 58 ASP H H 58 7.937 8.584 -0.647 1 1 602 . 17 1 1 A 58 58 ASP HA H 58 4.571 4.715 -0.144 1 1 604 . 17 1 1 A 58 58 ASP CA C 58 54.548 54.032 0.516 1 1 605 . 17 1 1 A 58 58 ASP CB C 58 40.254 41.072 -0.818 1 1 606 . 17 1 1 A 58 58 ASP N N 58 121.456 124.610 -3.154 1 1 607 . 17 1 1 A 59 59 ALA H H 59 8.150 8.678 -0.528 1 1 608 . 17 1 1 A 59 59 ALA HA H 59 4.178 4.552 -0.374 1 1 612 . 17 1 1 A 59 59 ALA C C 59 177.927 177.357 0.570 1 1 613 . 17 1 1 A 59 59 ALA CA C 59 52.751 51.291 1.460 1 1 614 . 17 1 1 A 59 59 ALA CB C 59 18.062 19.996 -1.934 1 1 615 . 17 1 1 A 59 59 ALA N N 59 123.316 124.242 -0.926 1 1 616 . 17 1 1 A 60 60 GLY H H 60 8.190 8.621 -0.431 1 1 617 . 17 1 1 A 60 60 GLY HA2 H 60 3.954 3.979 -0.025 1 1 618 . 17 1 1 A 60 60 GLY HA3 H 60 3.962 3.986 -0.024 1 1 619 . 17 1 1 A 60 60 GLY C C 60 174.572 175.143 -0.571 1 1 620 . 17 1 1 A 60 60 GLY CA C 60 45.301 45.103 0.198 1 1 621 . 17 1 1 A 60 60 GLY N N 60 107.588 107.497 0.091 1 1 622 . 17 1 1 A 61 61 GLY H H 61 8.014 8.640 -0.626 1 1 623 . 17 1 1 A 61 61 GLY HA2 H 61 4.068 4.103 -0.035 1 1 624 . 17 1 1 A 61 61 GLY HA3 H 61 3.882 4.122 -0.240 1 1 625 . 17 1 1 A 61 61 GLY C C 61 173.560 173.243 0.317 1 1 626 . 17 1 1 A 61 61 GLY CA C 61 44.784 44.617 0.167 1 1 627 . 17 1 1 A 61 61 GLY N N 61 108.839 107.829 1.010 1 1 628 . 17 1 1 A 62 62 LEU H H 62 8.038 8.504 -0.466 1 1 629 . 17 1 1 A 62 62 LEU HA H 62 4.528 5.024 -0.496 1 1 636 . 17 1 1 A 62 62 LEU C C 62 177.058 177.777 -0.719 1 1 637 . 17 1 1 A 62 62 LEU CA C 62 54.038 52.536 1.502 1 1 638 . 17 1 1 A 62 62 LEU CB C 62 42.254 45.313 -3.059 1 1 641 . 17 1 1 A 62 62 LEU N N 62 122.191 120.969 1.222 1 1 642 . 17 1 1 A 63 63 LYS H H 63 9.378 8.875 0.503 1 1 643 . 17 1 1 A 63 63 LYS HA H 63 4.223 4.164 0.059 1 1 647 . 17 1 1 A 63 63 LYS C C 63 179.928 179.211 0.717 1 1 648 . 17 1 1 A 63 63 LYS CA C 63 58.665 58.928 -0.263 1 1 649 . 17 1 1 A 63 63 LYS CB C 63 31.663 32.538 -0.875 1 1 651 . 17 1 1 A 63 63 LYS N N 63 129.582 119.047 10.535 1 1 652 . 17 1 1 A 64 64 SER H H 64 10.250 8.156 2.094 1 1 653 . 17 1 1 A 64 64 SER HA H 64 4.169 4.241 -0.072 1 1 656 . 17 1 1 A 64 64 SER C C 64 175.569 176.497 -0.928 1 1 657 . 17 1 1 A 64 64 SER CA C 64 61.010 62.334 -1.324 1 1 658 . 17 1 1 A 64 64 SER N N 64 117.647 116.935 0.712 1 1 659 . 17 1 1 A 65 65 PHE H H 65 7.035 7.674 -0.639 1 1 660 . 17 1 1 A 65 65 PHE HA H 65 4.444 4.259 0.185 1 1 663 . 17 1 1 A 65 65 PHE C C 65 176.884 176.786 0.098 1 1 664 . 17 1 1 A 65 65 PHE CA C 65 61.911 61.431 0.480 1 1 665 . 17 1 1 A 65 65 PHE CB C 65 38.861 39.318 -0.457 1 1 666 . 17 1 1 A 65 65 PHE N N 65 123.056 122.971 0.085 1 1 667 . 17 1 1 A 66 66 THR H H 66 8.475 8.015 0.460 1 1 668 . 17 1 1 A 66 66 THR HA H 66 3.932 3.585 0.347 1 1 673 . 17 1 1 A 66 66 THR C C 66 176.884 176.505 0.379 1 1 674 . 17 1 1 A 66 66 THR CA C 66 66.236 66.550 -0.314 1 1 675 . 17 1 1 A 66 66 THR CB C 66 67.993 68.254 -0.261 1 1 677 . 17 1 1 A 66 66 THR N N 66 115.996 115.114 0.882 1 1 678 . 17 1 1 A 67 67 THR H H 67 8.100 8.241 -0.141 1 1 679 . 17 1 1 A 67 67 THR HA H 67 3.979 4.022 -0.043 1 1 684 . 17 1 1 A 67 67 THR CA C 67 66.516 65.738 0.778 1 1 685 . 17 1 1 A 67 67 THR CB C 67 68.188 68.149 0.039 1 1 687 . 17 1 1 A 67 67 THR N N 67 120.365 113.209 7.156 1 1 688 . 17 1 1 A 68 68 MET H H 68 8.134 7.681 0.453 1 1 689 . 17 1 1 A 68 68 MET HA H 68 4.429 3.843 0.586 1 1 697 . 17 1 1 A 68 68 MET C C 68 177.682 178.218 -0.536 1 1 698 . 17 1 1 A 68 68 MET CA C 68 56.239 58.528 -2.289 1 1 699 . 17 1 1 A 68 68 MET CB C 68 30.516 31.840 -1.324 1 1 702 . 17 1 1 A 68 68 MET N N 68 120.545 120.828 -0.283 1 1 703 . 17 1 1 A 69 69 GLN H H 69 9.139 7.185 1.954 1 1 704 . 17 1 1 A 69 69 GLN HA H 69 3.694 4.037 -0.343 1 1 711 . 17 1 1 A 69 69 GLN C C 69 177.433 178.737 -1.304 1 1 712 . 17 1 1 A 69 69 GLN CA C 69 59.779 58.256 1.523 1 1 713 . 17 1 1 A 69 69 GLN CB C 69 28.547 28.049 0.498 1 1 715 . 17 1 1 A 69 69 GLN N N 69 120.358 118.160 2.198 1 1 717 . 17 1 1 A 70 70 THR H H 70 7.809 7.680 0.129 1 1 718 . 17 1 1 A 70 70 THR HA H 70 3.979 3.928 0.051 1 1 723 . 17 1 1 A 70 70 THR C C 70 176.394 176.577 -0.183 1 1 724 . 17 1 1 A 70 70 THR CA C 70 66.028 66.559 -0.531 1 1 725 . 17 1 1 A 70 70 THR CB C 70 68.198 68.846 -0.648 1 1 727 . 17 1 1 A 70 70 THR N N 70 116.198 116.490 -0.292 1 1 728 . 17 1 1 A 71 71 ALA H H 71 7.859 8.409 -0.550 1 1 729 . 17 1 1 A 71 71 ALA HA H 71 3.994 4.084 -0.090 1 1 733 . 17 1 1 A 71 71 ALA CA C 71 54.902 55.042 -0.140 1 1 734 . 17 1 1 A 71 71 ALA CB C 71 17.926 18.328 -0.402 1 1 735 . 17 1 1 A 71 71 ALA N N 71 126.667 124.271 2.396 1 1 736 . 17 1 1 A 72 72 LEU H H 72 9.261 7.912 1.349 1 1 737 . 17 1 1 A 72 72 LEU HA H 72 3.915 4.101 -0.186 1 1 743 . 17 1 1 A 72 72 LEU C C 72 179.219 178.508 0.711 1 1 744 . 17 1 1 A 72 72 LEU CA C 72 58.406 58.133 0.273 1 1 745 . 17 1 1 A 72 72 LEU CB C 72 38.744 41.515 -2.771 1 1 747 . 17 1 1 A 72 72 LEU N N 72 119.657 120.663 -1.006 1 1 748 . 17 1 1 A 73 73 ASN H H 73 8.542 7.770 0.772 1 1 749 . 17 1 1 A 73 73 ASN HA H 73 4.606 4.493 0.113 1 1 754 . 17 1 1 A 73 73 ASN CA C 73 55.711 56.339 -0.628 1 1 755 . 17 1 1 A 73 73 ASN CB C 73 37.398 39.084 -1.686 1 1 756 . 17 1 1 A 73 73 ASN N N 73 118.851 117.632 1.219 1 1 758 . 17 1 1 A 74 74 SER H H 74 7.849 7.635 0.214 1 1 759 . 17 1 1 A 74 74 SER HA H 74 4.379 4.186 0.193 1 1 762 . 17 1 1 A 74 74 SER C C 74 175.881 176.791 -0.910 1 1 763 . 17 1 1 A 74 74 SER CA C 74 61.405 62.494 -1.089 1 1 764 . 17 1 1 A 74 74 SER N N 74 118.042 116.664 1.378 1 1 765 . 17 1 1 A 75 75 LEU H H 75 8.084 8.549 -0.465 1 1 766 . 17 1 1 A 75 75 LEU HA H 75 4.181 4.066 0.115 1 1 773 . 17 1 1 A 75 75 LEU C C 75 176.899 178.852 -1.953 1 1 774 . 17 1 1 A 75 75 LEU CA C 75 56.746 57.835 -1.089 1 1 775 . 17 1 1 A 75 75 LEU CB C 75 41.896 41.358 0.538 1 1 777 . 17 1 1 A 75 75 LEU N N 75 124.099 118.937 5.162 1 1 778 . 17 1 1 A 76 76 ALA H H 76 8.695 7.944 0.751 1 1 779 . 17 1 1 A 76 76 ALA HA H 76 4.134 4.209 -0.075 1 1 783 . 17 1 1 A 76 76 ALA C C 76 180.159 180.180 -0.021 1 1 784 . 17 1 1 A 76 76 ALA CA C 76 55.315 55.287 0.028 1 1 785 . 17 1 1 A 76 76 ALA CB C 76 17.624 18.578 -0.954 1 1 786 . 17 1 1 A 76 76 ALA N N 76 121.934 122.643 -0.709 1 1 787 . 17 1 1 A 77 77 GLY H H 77 8.198 8.195 0.003 1 1 788 . 17 1 1 A 77 77 GLY HA2 H 77 3.917 3.794 0.123 1 1 789 . 17 1 1 A 77 77 GLY HA3 H 77 3.925 3.825 0.100 1 1 790 . 17 1 1 A 77 77 GLY C C 77 175.177 175.548 -0.371 1 1 791 . 17 1 1 A 77 77 GLY CA C 77 46.066 47.197 -1.131 1 1 792 . 17 1 1 A 77 77 GLY N N 77 105.613 105.543 0.070 1 1 793 . 17 1 1 A 78 78 TYR H H 78 7.973 7.745 0.228 1 1 794 . 17 1 1 A 78 78 TYR HA H 78 4.326 4.164 0.162 1 1 797 . 17 1 1 A 78 78 TYR C C 78 176.705 177.661 -0.956 1 1 798 . 17 1 1 A 78 78 TYR CA C 78 61.280 60.967 0.313 1 1 799 . 17 1 1 A 78 78 TYR CB C 78 37.737 38.657 -0.920 1 1 800 . 17 1 1 A 78 78 TYR N N 78 123.680 123.510 0.170 1 1 801 . 17 1 1 A 79 79 TYR H H 79 8.347 8.237 0.110 1 1 802 . 17 1 1 A 79 79 TYR HA H 79 4.750 4.294 0.456 1 1 805 . 17 1 1 A 79 79 TYR C C 79 178.135 177.287 0.848 1 1 806 . 17 1 1 A 79 79 TYR CA C 79 57.389 60.631 -3.242 1 1 807 . 17 1 1 A 79 79 TYR CB C 79 36.796 39.087 -2.291 1 1 808 . 17 1 1 A 79 79 TYR N N 79 119.870 120.444 -0.574 1 1 809 . 17 1 1 A 80 80 THR H H 80 8.180 8.386 -0.206 1 1 810 . 17 1 1 A 80 80 THR HA H 80 4.208 3.611 0.597 1 1 815 . 17 1 1 A 80 80 THR C C 80 175.302 175.207 0.095 1 1 816 . 17 1 1 A 80 80 THR CA C 80 64.276 65.550 -1.274 1 1 817 . 17 1 1 A 80 80 THR CB C 80 69.098 68.889 0.209 1 1 819 . 17 1 1 A 80 80 THR N N 80 114.967 115.526 -0.559 1 1 820 . 17 1 1 A 81 81 SER H H 81 8.027 7.973 0.054 1 1 821 . 17 1 1 A 81 81 SER HA H 81 4.214 4.627 -0.413 1 1 824 . 17 1 1 A 81 81 SER C C 81 174.305 174.523 -0.218 1 1 825 . 17 1 1 A 81 81 SER CA C 81 60.578 56.694 3.884 1 1 826 . 17 1 1 A 81 81 SER CB C 81 63.385 63.007 0.378 1 1 827 . 17 1 1 A 81 81 SER N N 81 116.664 110.992 5.672 1 1 828 . 17 1 1 A 82 82 TYR H H 82 8.396 8.079 0.317 1 1 829 . 17 1 1 A 82 82 TYR HA H 82 4.612 4.471 0.141 1 1 832 . 17 1 1 A 82 82 TYR C C 82 176.069 175.793 0.276 1 1 833 . 17 1 1 A 82 82 TYR CA C 82 57.676 60.575 -2.899 1 1 834 . 17 1 1 A 82 82 TYR CB C 82 38.160 40.158 -1.998 1 1 835 . 17 1 1 A 82 82 TYR N N 82 119.325 121.367 -2.042 1 1 836 . 17 1 1 A 83 83 GLY H H 83 7.982 7.394 0.588 1 1 837 . 17 1 1 A 83 83 GLY HA2 H 83 4.021 4.058 -0.037 1 1 838 . 17 1 1 A 83 83 GLY HA3 H 83 3.877 4.093 -0.216 1 1 839 . 17 1 1 A 83 83 GLY C C 83 178.820 171.850 6.970 1 1 840 . 17 1 1 A 83 83 GLY CA C 83 46.170 46.013 0.157 1 1 841 . 17 1 1 A 83 83 GLY N N 83 111.287 104.915 6.372 1 1 842 . 17 1 1 A 84 84 ALA H H 84 8.505 8.262 0.243 1 1 843 . 17 1 1 A 84 84 ALA HA H 84 4.619 4.503 0.116 1 1 847 . 17 1 1 A 84 84 ALA C C 84 176.933 177.046 -0.113 1 1 848 . 17 1 1 A 84 84 ALA CA C 84 51.514 50.950 0.564 1 1 849 . 17 1 1 A 84 84 ALA CB C 84 18.109 18.861 -0.752 1 1 850 . 17 1 1 A 84 84 ALA N N 84 126.408 122.416 3.992 1 1 851 . 17 1 1 A 85 85 ARG H H 85 8.057 8.390 -0.333 1 1 852 . 17 1 1 A 85 85 ARG HA H 85 4.696 4.619 0.077 1 1 854 . 17 1 1 A 85 85 ARG CA C 85 53.887 57.389 -3.502 1 1 855 . 17 1 1 A 85 85 ARG CB C 85 30.500 33.076 -2.576 1 1 856 . 17 1 1 A 85 85 ARG N N 85 123.060 118.915 4.145 1 1 857 . 17 1 1 A 86 86 PRO HA H 86 4.426 4.648 -0.222 1 1 862 . 17 1 1 A 86 86 PRO CA C 86 62.541 62.170 0.371 1 1 863 . 17 1 1 A 86 86 PRO CB C 86 31.477 31.790 -0.313 1 1 864 . 17 1 1 A 87 87 ILE H H 87 8.449 8.493 -0.044 1 1 865 . 17 1 1 A 87 87 ILE HA H 87 3.821 4.487 -0.666 1 1 875 . 17 1 1 A 87 87 ILE CA C 87 58.300 59.202 -0.902 1 1 876 . 17 1 1 A 87 87 ILE CB C 87 37.630 38.909 -1.279 1 1 880 . 17 1 1 A 87 87 ILE N N 87 125.558 123.989 1.569 1 1 881 . 17 1 1 A 88 88 PRO HA H 88 4.425 4.439 -0.014 1 1 884 . 17 1 1 A 88 88 PRO C C 88 177.001 177.821 -0.820 1 1 885 . 17 1 1 A 88 88 PRO CA C 88 62.298 63.228 -0.930 1 1 886 . 17 1 1 A 88 88 PRO CB C 88 32.070 32.449 -0.379 1 1 887 . 17 1 1 A 89 89 GLU H H 89 8.861 8.614 0.247 1 1 888 . 17 1 1 A 89 89 GLU HA H 89 3.871 3.934 -0.063 1 1 891 . 17 1 1 A 89 89 GLU C C 89 177.756 178.756 -1.000 1 1 892 . 17 1 1 A 89 89 GLU CA C 89 59.711 59.750 -0.039 1 1 893 . 17 1 1 A 89 89 GLU CB C 89 29.119 29.340 -0.221 1 1 894 . 17 1 1 A 89 89 GLU N N 89 125.518 122.736 2.782 1 1 895 . 17 1 1 A 90 90 LYS H H 90 8.827 7.785 1.042 1 1 896 . 17 1 1 A 90 90 LYS HA H 90 3.969 4.095 -0.126 1 1 899 . 17 1 1 A 90 90 LYS C C 90 178.672 179.314 -0.642 1 1 900 . 17 1 1 A 90 90 LYS CA C 90 59.423 59.436 -0.013 1 1 901 . 17 1 1 A 90 90 LYS CB C 90 31.820 32.363 -0.543 1 1 902 . 17 1 1 A 90 90 LYS N N 90 117.281 120.270 -2.989 1 1 903 . 17 1 1 A 91 91 LEU H H 91 6.857 7.924 -1.067 1 1 904 . 17 1 1 A 91 91 LEU HA H 91 4.212 3.980 0.232 1 1 911 . 17 1 1 A 91 91 LEU CA C 91 56.390 57.895 -1.505 1 1 912 . 17 1 1 A 91 91 LEU CB C 91 40.627 41.329 -0.702 1 1 915 . 17 1 1 A 91 91 LEU N N 91 120.818 119.735 1.083 1 1 916 . 17 1 1 A 92 92 LYS H H 92 8.156 8.399 -0.243 1 1 917 . 17 1 1 A 92 92 LYS HA H 92 3.558 3.942 -0.384 1 1 925 . 17 1 1 A 92 92 LYS C C 92 177.480 179.090 -1.610 1 1 926 . 17 1 1 A 92 92 LYS CA C 92 60.613 59.730 0.883 1 1 927 . 17 1 1 A 92 92 LYS CB C 92 31.812 32.285 -0.473 1 1 931 . 17 1 1 A 92 92 LYS N N 92 120.663 120.178 0.485 1 1 932 . 17 1 1 A 93 93 LYS H H 93 8.156 8.859 -0.703 1 1 933 . 17 1 1 A 93 93 LYS HA H 93 4.032 3.988 0.044 1 1 936 . 17 1 1 A 93 93 LYS C C 93 178.757 178.198 0.559 1 1 937 . 17 1 1 A 93 93 LYS CA C 93 58.546 59.578 -1.032 1 1 938 . 17 1 1 A 93 93 LYS CB C 93 31.726 32.080 -0.354 1 1 939 . 17 1 1 A 93 93 LYS N N 93 116.478 118.876 -2.398 1 1 940 . 17 1 1 A 94 94 ARG H H 94 7.287 8.679 -1.392 1 1 941 . 17 1 1 A 94 94 ARG HA H 94 4.032 4.074 -0.042 1 1 948 . 17 1 1 A 94 94 ARG C C 94 177.872 179.076 -1.204 1 1 949 . 17 1 1 A 94 94 ARG CA C 94 58.639 59.156 -0.517 1 1 950 . 17 1 1 A 94 94 ARG CB C 94 29.490 29.934 -0.444 1 1 953 . 17 1 1 A 94 94 ARG N N 94 120.980 119.626 1.354 1 1 955 . 17 1 1 A 95 95 LEU H H 95 8.365 9.195 -0.830 1 1 956 . 17 1 1 A 95 95 LEU HA H 95 3.597 4.059 -0.462 1 1 960 . 17 1 1 A 95 95 LEU C C 95 177.342 179.274 -1.932 1 1 961 . 17 1 1 A 95 95 LEU CA C 95 57.009 57.553 -0.544 1 1 962 . 17 1 1 A 95 95 LEU CB C 95 40.718 41.152 -0.434 1 1 964 . 17 1 1 A 95 95 LEU N N 95 119.611 119.648 -0.037 1 1 965 . 17 1 1 A 96 96 GLN H H 96 8.126 9.136 -1.010 1 1 966 . 17 1 1 A 96 96 GLN HA H 96 4.033 4.195 -0.162 1 1 972 . 17 1 1 A 96 96 GLN C C 96 179.502 178.271 1.231 1 1 973 . 17 1 1 A 96 96 GLN CA C 96 58.743 58.991 -0.248 1 1 974 . 17 1 1 A 96 96 GLN CB C 96 27.315 28.324 -1.009 1 1 976 . 17 1 1 A 96 96 GLN N N 96 115.986 119.751 -3.765 1 1 978 . 17 1 1 A 97 97 LEU H H 97 7.574 9.081 -1.507 1 1 979 . 17 1 1 A 97 97 LEU HA H 97 4.176 4.422 -0.246 1 1 983 . 17 1 1 A 97 97 LEU CA C 97 57.816 57.692 0.124 1 1 984 . 17 1 1 A 97 97 LEU CB C 97 41.107 41.868 -0.761 1 1 985 . 17 1 1 A 97 97 LEU N N 97 121.721 121.405 0.316 1 1 986 . 17 1 1 A 98 98 GLU H H 98 8.180 9.049 -0.869 1 1 987 . 17 1 1 A 98 98 GLU HA H 98 3.970 3.964 0.006 1 1 989 . 17 1 1 A 98 98 GLU C C 98 178.852 179.037 -0.185 1 1 990 . 17 1 1 A 98 98 GLU CA C 98 59.074 59.501 -0.427 1 1 991 . 17 1 1 A 98 98 GLU CB C 98 28.376 29.315 -0.939 1 1 992 . 17 1 1 A 98 98 GLU N N 98 122.418 119.530 2.888 1 1 993 . 17 1 1 A 99 99 PHE H H 99 8.995 9.429 -0.434 1 1 994 . 17 1 1 A 99 99 PHE HA H 99 4.560 4.070 0.490 1 1 997 . 17 1 1 A 99 99 PHE C C 99 178.050 177.776 0.274 1 1 998 . 17 1 1 A 99 99 PHE CA C 99 57.595 61.323 -3.728 1 1 999 . 17 1 1 A 99 99 PHE CB C 99 36.788 39.267 -2.479 1 1 1000 . 17 1 1 A 99 99 PHE N N 99 118.943 122.166 -3.223 1 1 1001 . 17 1 1 A 100 100 THR H H 100 7.985 8.801 -0.816 1 1 1002 . 17 1 1 A 100 100 THR HA H 100 4.097 3.667 0.430 1 1 1007 . 17 1 1 A 100 100 THR CA C 100 66.567 65.462 1.105 1 1 1008 . 17 1 1 A 100 100 THR CB C 100 68.200 68.202 -0.002 1 1 1010 . 17 1 1 A 100 100 THR N N 100 117.633 112.786 4.847 1 1 1011 . 17 1 1 A 101 101 GLN H H 101 8.160 9.300 -1.140 1 1 1012 . 17 1 1 A 101 101 GLN HA H 101 4.017 3.984 0.033 1 1 1018 . 17 1 1 A 101 101 GLN C C 101 179.034 177.716 1.318 1 1 1019 . 17 1 1 A 101 101 GLN CA C 101 58.649 58.807 -0.158 1 1 1020 . 17 1 1 A 101 101 GLN CB C 101 27.541 28.163 -0.622 1 1 1022 . 17 1 1 A 101 101 GLN N N 101 122.138 121.534 0.604 1 1 1024 . 17 1 1 A 102 102 ALA H H 102 8.768 8.807 -0.039 1 1 1025 . 17 1 1 A 102 102 ALA HA H 102 4.036 4.202 -0.166 1 1 1029 . 17 1 1 A 102 102 ALA C C 102 178.466 178.866 -0.400 1 1 1030 . 17 1 1 A 102 102 ALA CA C 102 55.525 54.967 0.558 1 1 1031 . 17 1 1 A 102 102 ALA CB C 102 18.046 19.256 -1.210 1 1 1032 . 17 1 1 A 102 102 ALA N N 102 124.541 123.004 1.537 1 1 1033 . 17 1 1 A 103 103 GLU H H 103 8.552 9.336 -0.784 1 1 1034 . 17 1 1 A 103 103 GLU HA H 103 3.680 3.946 -0.266 1 1 1039 . 17 1 1 A 103 103 GLU C C 103 178.447 178.447 0.000 1 1 1040 . 17 1 1 A 103 103 GLU CA C 103 59.802 59.239 0.563 1 1 1041 . 17 1 1 A 103 103 GLU CB C 103 29.672 28.947 0.725 1 1 1043 . 17 1 1 A 103 103 GLU N N 103 120.048 118.849 1.199 1 1 1044 . 17 1 1 A 104 104 ARG H H 104 8.242 8.275 -0.033 1 1 1045 . 17 1 1 A 104 104 ARG HA H 104 4.214 3.927 0.287 1 1 1048 . 17 1 1 A 104 104 ARG C C 104 178.958 178.417 0.541 1 1 1049 . 17 1 1 A 104 104 ARG CA C 104 58.135 59.309 -1.174 1 1 1050 . 17 1 1 A 104 104 ARG CB C 104 29.742 29.926 -0.184 1 1 1051 . 17 1 1 A 104 104 ARG N N 104 119.448 119.853 -0.405 1 1 1052 . 17 1 1 A 105 105 SER H H 105 8.087 7.485 0.602 1 1 1053 . 17 1 1 A 105 105 SER HA H 105 4.290 4.341 -0.051 1 1 1056 . 17 1 1 A 105 105 SER CA C 105 61.917 61.094 0.823 1 1 1057 . 17 1 1 A 105 105 SER N N 105 117.329 113.980 3.349 1 1 1058 . 17 1 1 A 106 106 ILE H H 106 8.403 8.143 0.260 1 1 1059 . 17 1 1 A 106 106 ILE HA H 106 4.113 3.535 0.578 1 1 1069 . 17 1 1 A 106 106 ILE CA C 106 61.487 65.428 -3.941 1 1 1070 . 17 1 1 A 106 106 ILE CB C 106 35.600 37.557 -1.957 1 1 1074 . 17 1 1 A 106 106 ILE N N 106 124.394 121.231 3.163 1 1 1075 . 17 1 1 A 107 107 GLU H H 107 8.187 8.806 -0.619 1 1 1076 . 17 1 1 A 107 107 GLU HA H 107 4.126 4.104 0.022 1 1 1079 . 17 1 1 A 107 107 GLU C C 107 177.494 176.164 1.330 1 1 1080 . 17 1 1 A 107 107 GLU CA C 107 58.849 59.365 -0.516 1 1 1081 . 17 1 1 A 107 107 GLU CB C 107 29.052 29.805 -0.753 1 1 1082 . 17 1 1 A 107 107 GLU N N 107 123.223 120.640 2.583 1 1 1083 . 17 1 1 A 108 108 ARG H H 108 7.651 7.911 -0.260 1 1 1084 . 17 1 1 A 108 108 ARG HA H 108 4.431 4.021 0.410 1 1 1090 . 17 1 1 A 108 108 ARG C C 108 175.927 177.042 -1.115 1 1 1091 . 17 1 1 A 108 108 ARG CA C 108 55.584 57.393 -1.809 1 1 1092 . 17 1 1 A 108 108 ARG CB C 108 30.806 29.558 1.248 1 1 1094 . 17 1 1 A 108 108 ARG N N 108 117.394 119.341 -1.947 1 1 1095 . 17 1 1 A 109 109 GLY H H 109 8.190 8.117 0.073 1 1 1096 . 17 1 1 A 109 109 GLY HA2 H 109 4.141 3.913 0.228 1 1 1097 . 17 1 1 A 109 109 GLY HA3 H 109 4.060 3.921 0.139 1 1 1098 . 17 1 1 A 109 109 GLY C C 109 174.031 173.929 0.102 1 1 1099 . 17 1 1 A 109 109 GLY CA C 109 45.823 45.584 0.239 1 1 1100 . 17 1 1 A 109 109 GLY N N 109 110.712 107.575 3.137 1 1 7 . 18 1 1 A 2 2 ASP H H 2 8.644 7.854 0.790 1 1 8 . 18 1 1 A 2 2 ASP HA H 2 4.373 4.996 -0.623 1 1 11 . 18 1 1 A 2 2 ASP C C 2 178.938 175.760 3.178 1 1 12 . 18 1 1 A 2 2 ASP CA C 2 53.794 52.834 0.960 1 1 13 . 18 1 1 A 2 2 ASP CB C 2 41.025 42.973 -1.948 1 1 14 . 18 1 1 A 2 2 ASP N N 2 122.106 121.166 0.940 1 1 15 . 18 1 1 A 3 3 SER H H 3 8.508 8.720 -0.212 1 1 16 . 18 1 1 A 3 3 SER HA H 3 4.331 4.546 -0.215 1 1 19 . 18 1 1 A 3 3 SER C C 3 174.777 175.496 -0.719 1 1 20 . 18 1 1 A 3 3 SER CA C 3 58.141 58.091 0.050 1 1 21 . 18 1 1 A 3 3 SER CB C 3 63.359 63.661 -0.302 1 1 22 . 18 1 1 A 3 3 SER N N 3 117.604 114.721 2.883 1 1 23 . 18 1 1 A 4 4 GLY H H 4 8.603 8.744 -0.141 1 1 24 . 18 1 1 A 4 4 GLY HA2 H 4 4.130 4.106 0.024 1 1 25 . 18 1 1 A 4 4 GLY HA3 H 4 4.076 4.106 -0.030 1 1 26 . 18 1 1 A 4 4 GLY C C 4 174.283 172.832 1.451 1 1 27 . 18 1 1 A 4 4 GLY CA C 4 45.054 46.212 -1.158 1 1 28 . 18 1 1 A 4 4 GLY N N 4 111.842 110.673 1.169 1 1 29 . 18 1 1 A 5 5 THR H H 5 8.140 7.528 0.612 1 1 30 . 18 1 1 A 5 5 THR HA H 5 4.371 4.789 -0.418 1 1 35 . 18 1 1 A 5 5 THR C C 5 174.827 173.755 1.072 1 1 36 . 18 1 1 A 5 5 THR CA C 5 61.515 60.866 0.649 1 1 37 . 18 1 1 A 5 5 THR CB C 5 69.683 72.898 -3.215 1 1 39 . 18 1 1 A 5 5 THR N N 5 112.188 112.643 -0.455 1 1 40 . 18 1 1 A 6 6 GLY H H 6 8.425 8.615 -0.190 1 1 41 . 18 1 1 A 6 6 GLY HA2 H 6 4.109 4.018 0.091 1 1 42 . 18 1 1 A 6 6 GLY HA3 H 6 3.875 4.022 -0.147 1 1 43 . 18 1 1 A 6 6 GLY C C 6 173.670 174.214 -0.544 1 1 44 . 18 1 1 A 6 6 GLY CA C 6 44.466 45.886 -1.420 1 1 45 . 18 1 1 A 6 6 GLY N N 6 110.955 112.769 -1.814 1 1 46 . 18 1 1 A 7 7 LEU H H 7 7.993 7.199 0.794 1 1 47 . 18 1 1 A 7 7 LEU HA H 7 4.503 4.333 0.170 1 1 53 . 18 1 1 A 7 7 LEU C C 7 177.284 176.561 0.723 1 1 54 . 18 1 1 A 7 7 LEU CA C 7 54.741 55.106 -0.365 1 1 55 . 18 1 1 A 7 7 LEU CB C 7 39.284 42.734 -3.450 1 1 58 . 18 1 1 A 7 7 LEU N N 7 121.268 121.293 -0.025 1 1 59 . 18 1 1 A 8 8 THR H H 8 10.385 8.722 1.663 1 1 60 . 18 1 1 A 8 8 THR HA H 8 4.521 4.477 0.044 1 1 65 . 18 1 1 A 8 8 THR C C 8 176.965 175.426 1.539 1 1 66 . 18 1 1 A 8 8 THR CA C 8 64.563 62.380 2.183 1 1 67 . 18 1 1 A 8 8 THR CB C 8 71.946 70.741 1.205 1 1 69 . 18 1 1 A 8 8 THR N N 8 113.472 115.625 -2.153 1 1 70 . 18 1 1 A 9 9 GLY H H 9 9.733 7.586 2.147 1 1 71 . 18 1 1 A 9 9 GLY HA2 H 9 4.391 3.679 0.712 1 1 72 . 18 1 1 A 9 9 GLY HA3 H 9 3.805 3.889 -0.084 1 1 73 . 18 1 1 A 9 9 GLY C C 9 173.133 173.907 -0.774 1 1 74 . 18 1 1 A 9 9 GLY CA C 9 45.453 46.409 -0.956 1 1 75 . 18 1 1 A 9 9 GLY N N 9 114.948 109.542 5.406 1 1 76 . 18 1 1 A 10 10 ASN H H 10 7.664 7.797 -0.133 1 1 77 . 18 1 1 A 10 10 ASN HA H 10 4.906 5.042 -0.136 1 1 82 . 18 1 1 A 10 10 ASN C C 10 173.098 173.495 -0.397 1 1 83 . 18 1 1 A 10 10 ASN CA C 10 51.504 50.949 0.555 1 1 84 . 18 1 1 A 10 10 ASN CB C 10 38.449 40.333 -1.884 1 1 85 . 18 1 1 A 10 10 ASN N N 10 120.991 118.299 2.692 1 1 87 . 18 1 1 A 11 11 TYR H H 11 8.892 8.736 0.156 1 1 88 . 18 1 1 A 11 11 TYR HA H 11 3.767 4.769 -1.002 1 1 91 . 18 1 1 A 11 11 TYR C C 11 177.871 175.794 2.077 1 1 92 . 18 1 1 A 11 11 TYR CA C 11 61.897 56.901 4.996 1 1 93 . 18 1 1 A 11 11 TYR CB C 11 38.099 39.244 -1.145 1 1 94 . 18 1 1 A 11 11 TYR N N 11 128.653 120.812 7.841 1 1 95 . 18 1 1 A 12 12 SER H H 12 8.729 8.952 -0.223 1 1 96 . 18 1 1 A 12 12 SER HA H 12 3.747 4.179 -0.432 1 1 99 . 18 1 1 A 12 12 SER C C 12 174.675 176.661 -1.986 1 1 100 . 18 1 1 A 12 12 SER CA C 12 62.371 62.050 0.321 1 1 101 . 18 1 1 A 12 12 SER CB C 12 61.600 63.144 -1.544 1 1 102 . 18 1 1 A 12 12 SER N N 12 119.446 117.731 1.715 1 1 103 . 18 1 1 A 13 13 GLN H H 13 7.645 7.661 -0.016 1 1 104 . 18 1 1 A 13 13 GLN HA H 13 3.955 4.051 -0.096 1 1 110 . 18 1 1 A 13 13 GLN C C 13 178.400 178.193 0.207 1 1 111 . 18 1 1 A 13 13 GLN CA C 13 58.083 58.786 -0.703 1 1 112 . 18 1 1 A 13 13 GLN CB C 13 28.328 28.407 -0.079 1 1 114 . 18 1 1 A 13 13 GLN N N 13 121.234 121.383 -0.149 1 1 116 . 18 1 1 A 14 14 ASP H H 14 9.314 8.085 1.229 1 1 117 . 18 1 1 A 14 14 ASP HA H 14 4.513 4.503 0.010 1 1 120 . 18 1 1 A 14 14 ASP C C 14 177.320 178.741 -1.421 1 1 121 . 18 1 1 A 14 14 ASP CA C 14 56.778 56.727 0.051 1 1 122 . 18 1 1 A 14 14 ASP CB C 14 40.380 40.698 -0.318 1 1 123 . 18 1 1 A 14 14 ASP N N 14 120.095 119.602 0.493 1 1 124 . 18 1 1 A 15 15 THR H H 15 8.283 8.384 -0.101 1 1 125 . 18 1 1 A 15 15 THR HA H 15 3.637 4.363 -0.726 1 1 130 . 18 1 1 A 15 15 THR C C 15 174.455 177.035 -2.580 1 1 131 . 18 1 1 A 15 15 THR CA C 15 67.657 67.457 0.200 1 1 132 . 18 1 1 A 15 15 THR CB C 15 67.465 68.575 -1.110 1 1 134 . 18 1 1 A 15 15 THR N N 15 117.657 118.557 -0.900 1 1 135 . 18 1 1 A 16 16 LEU H H 16 7.452 8.113 -0.661 1 1 136 . 18 1 1 A 16 16 LEU HA H 16 3.919 4.020 -0.101 1 1 140 . 18 1 1 A 16 16 LEU C C 16 179.666 179.153 0.513 1 1 141 . 18 1 1 A 16 16 LEU CA C 16 57.864 57.979 -0.115 1 1 142 . 18 1 1 A 16 16 LEU CB C 16 39.811 41.110 -1.299 1 1 144 . 18 1 1 A 16 16 LEU N N 16 120.034 118.006 2.028 1 1 145 . 18 1 1 A 17 17 THR H H 17 8.708 7.921 0.787 1 1 146 . 18 1 1 A 17 17 THR HA H 17 3.893 4.037 -0.144 1 1 151 . 18 1 1 A 17 17 THR C C 17 179.666 176.237 3.429 1 1 152 . 18 1 1 A 17 17 THR CA C 17 66.152 66.859 -0.707 1 1 153 . 18 1 1 A 17 17 THR CB C 17 67.921 68.880 -0.959 1 1 155 . 18 1 1 A 17 17 THR N N 17 121.382 115.595 5.787 1 1 156 . 18 1 1 A 18 18 VAL H H 18 8.194 8.137 0.057 1 1 157 . 18 1 1 A 18 18 VAL HA H 18 3.705 3.718 -0.013 1 1 165 . 18 1 1 A 18 18 VAL C C 18 177.242 178.036 -0.794 1 1 166 . 18 1 1 A 18 18 VAL CA C 18 65.886 65.717 0.169 1 1 167 . 18 1 1 A 18 18 VAL CB C 18 30.729 31.684 -0.955 1 1 170 . 18 1 1 A 18 18 VAL N N 18 123.227 120.402 2.825 1 1 171 . 18 1 1 A 19 19 ILE H H 19 7.933 8.247 -0.314 1 1 172 . 18 1 1 A 19 19 ILE HA H 19 2.633 3.653 -1.020 1 1 182 . 18 1 1 A 19 19 ILE C C 19 176.276 177.648 -1.372 1 1 183 . 18 1 1 A 19 19 ILE CA C 19 66.137 65.776 0.361 1 1 184 . 18 1 1 A 19 19 ILE CB C 19 37.782 37.606 0.176 1 1 188 . 18 1 1 A 19 19 ILE N N 19 119.786 121.654 -1.868 1 1 189 . 18 1 1 A 20 20 ALA H H 20 7.782 8.479 -0.697 1 1 190 . 18 1 1 A 20 20 ALA HA H 20 3.972 3.957 0.015 1 1 194 . 18 1 1 A 20 20 ALA C C 20 180.867 179.708 1.159 1 1 195 . 18 1 1 A 20 20 ALA CA C 20 55.170 55.182 -0.012 1 1 196 . 18 1 1 A 20 20 ALA CB C 20 17.282 18.237 -0.955 1 1 197 . 18 1 1 A 20 20 ALA N N 20 121.793 122.411 -0.618 1 1 198 . 18 1 1 A 21 21 THR H H 21 8.573 7.708 0.865 1 1 199 . 18 1 1 A 21 21 THR HA H 21 3.902 3.837 0.065 1 1 204 . 18 1 1 A 21 21 THR C C 21 176.720 176.862 -0.142 1 1 205 . 18 1 1 A 21 21 THR CA C 21 65.200 66.843 -1.643 1 1 206 . 18 1 1 A 21 21 THR CB C 21 68.092 67.861 0.231 1 1 208 . 18 1 1 A 21 21 THR N N 21 118.393 115.371 3.022 1 1 209 . 18 1 1 A 22 22 LEU H H 22 8.583 7.977 0.606 1 1 210 . 18 1 1 A 22 22 LEU HA H 22 4.065 3.761 0.304 1 1 217 . 18 1 1 A 22 22 LEU C C 22 178.284 178.613 -0.329 1 1 218 . 18 1 1 A 22 22 LEU CA C 22 57.005 58.017 -1.012 1 1 219 . 18 1 1 A 22 22 LEU CB C 22 40.209 41.424 -1.215 1 1 223 . 18 1 1 A 22 22 LEU N N 22 122.517 121.732 0.785 1 1 224 . 18 1 1 A 23 23 ARG H H 23 8.858 7.993 0.865 1 1 225 . 18 1 1 A 23 23 ARG HA H 23 3.873 2.539 1.334 1 1 230 . 18 1 1 A 23 23 ARG C C 23 178.503 178.508 -0.005 1 1 231 . 18 1 1 A 23 23 ARG CA C 23 60.362 58.854 1.508 1 1 232 . 18 1 1 A 23 23 ARG CB C 23 29.808 29.511 0.297 1 1 235 . 18 1 1 A 23 23 ARG N N 23 120.502 117.587 2.915 1 1 237 . 18 1 1 A 24 24 GLU H H 24 7.250 7.708 -0.458 1 1 238 . 18 1 1 A 24 24 GLU HA H 24 4.109 4.003 0.106 1 1 243 . 18 1 1 A 24 24 GLU CA C 24 58.312 58.825 -0.513 1 1 244 . 18 1 1 A 24 24 GLU CB C 24 29.024 29.119 -0.095 1 1 246 . 18 1 1 A 24 24 GLU N N 24 117.221 119.040 -1.819 1 1 247 . 18 1 1 A 25 25 ALA H H 25 8.223 7.951 0.272 1 1 248 . 18 1 1 A 25 25 ALA HA H 25 3.983 4.064 -0.081 1 1 252 . 18 1 1 A 25 25 ALA C C 25 180.617 179.722 0.895 1 1 253 . 18 1 1 A 25 25 ALA CA C 25 55.203 55.072 0.131 1 1 254 . 18 1 1 A 25 25 ALA CB C 25 17.657 18.285 -0.628 1 1 255 . 18 1 1 A 25 25 ALA N N 25 121.823 121.857 -0.034 1 1 256 . 18 1 1 A 26 26 ILE H H 26 8.552 7.382 1.170 1 1 257 . 18 1 1 A 26 26 ILE HA H 26 4.144 3.787 0.357 1 1 267 . 18 1 1 A 26 26 ILE C C 26 175.586 176.149 -0.563 1 1 268 . 18 1 1 A 26 26 ILE CA C 26 63.790 63.151 0.639 1 1 269 . 18 1 1 A 26 26 ILE CB C 26 37.496 37.678 -0.182 1 1 273 . 18 1 1 A 26 26 ILE N N 26 112.838 118.882 -6.044 1 1 274 . 18 1 1 A 27 27 ASP H H 27 7.175 7.638 -0.463 1 1 275 . 18 1 1 A 27 27 ASP HA H 27 4.934 4.828 0.106 1 1 278 . 18 1 1 A 27 27 ASP C C 27 175.602 173.762 1.840 1 1 279 . 18 1 1 A 27 27 ASP CA C 27 53.160 53.001 0.159 1 1 280 . 18 1 1 A 27 27 ASP CB C 27 41.754 41.572 0.182 1 1 281 . 18 1 1 A 27 27 ASP N N 27 120.840 120.441 0.399 1 1 282 . 18 1 1 A 28 28 LEU H H 28 7.136 7.415 -0.279 1 1 283 . 18 1 1 A 28 28 LEU HA H 28 4.510 4.580 -0.070 1 1 290 . 18 1 1 A 28 28 LEU CA C 28 53.379 52.923 0.456 1 1 291 . 18 1 1 A 28 28 LEU CB C 28 42.286 41.714 0.572 1 1 294 . 18 1 1 A 28 28 LEU N N 28 124.155 119.506 4.649 1 1 295 . 18 1 1 A 29 29 PRO HA H 29 4.552 4.513 0.039 1 1 301 . 18 1 1 A 29 29 PRO C C 29 177.414 177.058 0.356 1 1 302 . 18 1 1 A 29 29 PRO CA C 29 62.506 62.815 -0.309 1 1 303 . 18 1 1 A 29 29 PRO CB C 29 32.263 32.559 -0.296 1 1 305 . 18 1 1 A 30 30 GLN H H 30 8.935 8.583 0.352 1 1 306 . 18 1 1 A 30 30 GLN HA H 30 3.966 4.099 -0.133 1 1 311 . 18 1 1 A 30 30 GLN C C 30 175.595 176.701 -1.106 1 1 312 . 18 1 1 A 30 30 GLN CA C 30 58.036 58.189 -0.153 1 1 313 . 18 1 1 A 30 30 GLN CB C 30 28.116 28.454 -0.338 1 1 315 . 18 1 1 A 30 30 GLN N N 30 122.119 121.413 0.706 1 1 317 . 18 1 1 A 31 31 ASP H H 31 8.353 8.090 0.263 1 1 318 . 18 1 1 A 31 31 ASP HA H 31 4.682 4.639 0.043 1 1 321 . 18 1 1 A 31 31 ASP C C 31 175.518 175.841 -0.323 1 1 322 . 18 1 1 A 31 31 ASP CA C 31 52.178 54.785 -2.607 1 1 323 . 18 1 1 A 31 31 ASP CB C 31 39.270 41.274 -2.004 1 1 324 . 18 1 1 A 31 31 ASP N N 31 115.909 118.732 -2.823 1 1 325 . 18 1 1 A 32 32 ALA H H 32 7.467 7.575 -0.108 1 1 326 . 18 1 1 A 32 32 ALA HA H 32 4.564 4.790 -0.226 1 1 330 . 18 1 1 A 32 32 ALA CA C 32 50.496 49.910 0.586 1 1 331 . 18 1 1 A 32 32 ALA CB C 32 17.852 18.926 -1.074 1 1 332 . 18 1 1 A 32 32 ALA N N 32 124.893 122.112 2.781 1 1 333 . 18 1 1 A 33 33 PRO HA H 33 4.494 4.473 0.021 1 1 339 . 18 1 1 A 33 33 PRO C C 33 176.278 175.767 0.511 1 1 340 . 18 1 1 A 33 33 PRO CA C 33 63.894 63.456 0.438 1 1 341 . 18 1 1 A 33 33 PRO CB C 33 31.354 30.965 0.389 1 1 344 . 18 1 1 A 34 34 ASN H H 34 8.577 8.819 -0.242 1 1 345 . 18 1 1 A 34 34 ASN HA H 34 5.041 5.092 -0.051 1 1 350 . 18 1 1 A 34 34 ASN C C 34 174.678 175.905 -1.227 1 1 351 . 18 1 1 A 34 34 ASN CA C 34 51.792 51.771 0.021 1 1 352 . 18 1 1 A 34 34 ASN CB C 34 36.334 38.413 -2.079 1 1 353 . 18 1 1 A 34 34 ASN N N 34 115.598 115.751 -0.153 1 1 355 . 18 1 1 A 35 35 ARG H H 35 7.401 8.526 -1.125 1 1 356 . 18 1 1 A 35 35 ARG HA H 35 3.726 4.050 -0.324 1 1 363 . 18 1 1 A 35 35 ARG C C 35 176.887 178.584 -1.697 1 1 364 . 18 1 1 A 35 35 ARG CA C 35 60.063 58.947 1.116 1 1 365 . 18 1 1 A 35 35 ARG CB C 35 29.571 29.839 -0.268 1 1 368 . 18 1 1 A 35 35 ARG N N 35 119.690 123.359 -3.669 1 1 370 . 18 1 1 A 36 36 GLN H H 36 8.780 8.068 0.712 1 1 371 . 18 1 1 A 36 36 GLN HA H 36 3.805 4.170 -0.365 1 1 377 . 18 1 1 A 36 36 GLN CA C 36 58.618 59.298 -0.680 1 1 378 . 18 1 1 A 36 36 GLN CB C 36 27.595 28.702 -1.107 1 1 380 . 18 1 1 A 36 36 GLN N N 36 119.100 119.680 -0.580 1 1 382 . 18 1 1 A 37 37 GLU H H 37 8.128 7.930 0.198 1 1 383 . 18 1 1 A 37 37 GLU HA H 37 4.137 4.050 0.087 1 1 387 . 18 1 1 A 37 37 GLU C C 37 179.222 179.488 -0.266 1 1 388 . 18 1 1 A 37 37 GLU CA C 37 59.336 59.288 0.048 1 1 389 . 18 1 1 A 37 37 GLU CB C 37 28.781 29.314 -0.533 1 1 391 . 18 1 1 A 37 37 GLU N N 37 120.485 119.250 1.235 1 1 392 . 18 1 1 A 38 38 VAL H H 38 8.127 7.663 0.464 1 1 393 . 18 1 1 A 38 38 VAL HA H 38 3.708 3.625 0.083 1 1 401 . 18 1 1 A 38 38 VAL C C 38 178.246 177.945 0.301 1 1 402 . 18 1 1 A 38 38 VAL CA C 38 66.019 66.618 -0.599 1 1 403 . 18 1 1 A 38 38 VAL CB C 38 31.008 31.548 -0.540 1 1 406 . 18 1 1 A 38 38 VAL N N 38 121.937 120.558 1.379 1 1 407 . 18 1 1 A 39 39 GLN H H 39 8.324 7.773 0.551 1 1 408 . 18 1 1 A 39 39 GLN HA H 39 3.764 3.960 -0.196 1 1 415 . 18 1 1 A 39 39 GLN C C 39 177.642 177.816 -0.174 1 1 416 . 18 1 1 A 39 39 GLN CA C 39 59.019 59.103 -0.084 1 1 417 . 18 1 1 A 39 39 GLN CB C 39 27.176 28.174 -0.998 1 1 419 . 18 1 1 A 39 39 GLN N N 39 120.203 120.250 -0.047 1 1 421 . 18 1 1 A 40 40 ASP H H 40 8.699 8.248 0.451 1 1 422 . 18 1 1 A 40 40 ASP HA H 40 4.391 4.234 0.157 1 1 425 . 18 1 1 A 40 40 ASP C C 40 179.726 178.651 1.075 1 1 426 . 18 1 1 A 40 40 ASP CA C 40 57.267 57.527 -0.260 1 1 427 . 18 1 1 A 40 40 ASP CB C 40 39.458 41.579 -2.121 1 1 428 . 18 1 1 A 40 40 ASP N N 40 121.604 119.793 1.811 1 1 429 . 18 1 1 A 41 41 THR H H 41 8.449 7.970 0.479 1 1 430 . 18 1 1 A 41 41 THR HA H 41 3.981 3.952 0.029 1 1 435 . 18 1 1 A 41 41 THR CA C 41 66.254 66.418 -0.164 1 1 436 . 18 1 1 A 41 41 THR CB C 41 67.937 68.599 -0.662 1 1 437 . 18 1 1 A 41 41 THR N N 41 121.386 116.009 5.377 1 1 438 . 18 1 1 A 42 42 ALA H H 42 8.552 7.968 0.584 1 1 439 . 18 1 1 A 42 42 ALA HA H 42 3.876 3.900 -0.024 1 1 443 . 18 1 1 A 42 42 ALA C C 42 178.300 179.558 -1.258 1 1 444 . 18 1 1 A 42 42 ALA CA C 42 55.244 55.345 -0.101 1 1 445 . 18 1 1 A 42 42 ALA CB C 42 17.295 18.208 -0.913 1 1 446 . 18 1 1 A 42 42 ALA N N 42 126.245 123.248 2.997 1 1 447 . 18 1 1 A 43 43 ARG H H 43 8.553 8.039 0.514 1 1 448 . 18 1 1 A 43 43 ARG HA H 43 3.923 4.222 -0.299 1 1 451 . 18 1 1 A 43 43 ARG C C 43 178.522 179.763 -1.241 1 1 452 . 18 1 1 A 43 43 ARG CA C 43 59.680 59.907 -0.227 1 1 453 . 18 1 1 A 43 43 ARG CB C 43 29.887 30.235 -0.348 1 1 454 . 18 1 1 A 43 43 ARG N N 43 117.705 119.112 -1.407 1 1 455 . 18 1 1 A 44 44 GLY H H 44 8.049 8.198 -0.149 1 1 456 . 18 1 1 A 44 44 GLY HA2 H 44 4.066 3.811 0.255 1 1 457 . 18 1 1 A 44 44 GLY HA3 H 44 3.972 3.812 0.160 1 1 458 . 18 1 1 A 44 44 GLY CA C 44 46.710 47.466 -0.756 1 1 459 . 18 1 1 A 44 44 GLY N N 44 106.443 107.240 -0.797 1 1 460 . 18 1 1 A 45 45 GLN H H 45 8.305 7.681 0.624 1 1 461 . 18 1 1 A 45 45 GLN HA H 45 4.204 4.094 0.110 1 1 466 . 18 1 1 A 45 45 GLN C C 45 177.942 179.113 -1.171 1 1 467 . 18 1 1 A 45 45 GLN CA C 45 59.930 58.498 1.432 1 1 468 . 18 1 1 A 45 45 GLN CB C 45 28.520 28.504 0.016 1 1 470 . 18 1 1 A 45 45 GLN N N 45 123.780 120.885 2.895 1 1 472 . 18 1 1 A 46 46 ILE H H 46 8.673 8.010 0.663 1 1 473 . 18 1 1 A 46 46 ILE HA H 46 3.594 3.602 -0.008 1 1 483 . 18 1 1 A 46 46 ILE C C 46 176.649 177.783 -1.134 1 1 484 . 18 1 1 A 46 46 ILE CA C 46 66.299 65.564 0.735 1 1 485 . 18 1 1 A 46 46 ILE CB C 46 37.762 37.652 0.110 1 1 489 . 18 1 1 A 46 46 ILE N N 46 120.050 121.186 -1.136 1 1 490 . 18 1 1 A 47 47 ASN H H 47 7.866 8.792 -0.926 1 1 491 . 18 1 1 A 47 47 ASN HA H 47 4.525 4.406 0.119 1 1 495 . 18 1 1 A 47 47 ASN C C 47 176.649 177.265 -0.616 1 1 496 . 18 1 1 A 47 47 ASN CA C 47 55.703 56.552 -0.849 1 1 497 . 18 1 1 A 47 47 ASN CB C 47 37.925 37.801 0.124 1 1 498 . 18 1 1 A 47 47 ASN N N 47 116.444 119.133 -2.689 1 1 500 . 18 1 1 A 48 48 ASP H H 48 8.185 7.828 0.357 1 1 501 . 18 1 1 A 48 48 ASP HA H 48 4.460 4.428 0.032 1 1 504 . 18 1 1 A 48 48 ASP C C 48 176.285 178.034 -1.749 1 1 505 . 18 1 1 A 48 48 ASP CA C 48 56.635 57.167 -0.532 1 1 506 . 18 1 1 A 48 48 ASP CB C 48 41.593 41.124 0.469 1 1 507 . 18 1 1 A 48 48 ASP N N 48 121.725 119.805 1.920 1 1 508 . 18 1 1 A 49 49 TYR H H 49 8.756 8.702 0.054 1 1 509 . 18 1 1 A 49 49 TYR HA H 49 3.892 4.236 -0.344 1 1 512 . 18 1 1 A 49 49 TYR C C 49 176.432 177.011 -0.579 1 1 513 . 18 1 1 A 49 49 TYR CA C 49 62.617 61.272 1.345 1 1 514 . 18 1 1 A 49 49 TYR CB C 49 39.188 38.401 0.787 1 1 515 . 18 1 1 A 49 49 TYR N N 49 121.005 120.592 0.413 1 1 516 . 18 1 1 A 50 50 ILE H H 50 8.481 8.801 -0.320 1 1 517 . 18 1 1 A 50 50 ILE HA H 50 3.901 4.143 -0.242 1 1 527 . 18 1 1 A 50 50 ILE C C 50 177.407 176.444 0.963 1 1 528 . 18 1 1 A 50 50 ILE CA C 50 63.893 63.670 0.223 1 1 529 . 18 1 1 A 50 50 ILE CB C 50 36.668 38.414 -1.746 1 1 533 . 18 1 1 A 50 50 ILE N N 50 117.237 119.711 -2.474 1 1 534 . 18 1 1 A 51 51 SER H H 51 7.870 8.264 -0.394 1 1 535 . 18 1 1 A 51 51 SER HA H 51 4.203 4.738 -0.535 1 1 538 . 18 1 1 A 51 51 SER C C 51 177.413 174.177 3.236 1 1 539 . 18 1 1 A 51 51 SER CA C 51 61.003 57.134 3.869 1 1 540 . 18 1 1 A 51 51 SER CB C 51 62.711 63.916 -1.205 1 1 541 . 18 1 1 A 51 51 SER N N 51 113.635 116.323 -2.688 1 1 542 . 18 1 1 A 52 52 ARG H H 52 8.386 7.898 0.488 1 1 543 . 18 1 1 A 52 52 ARG HA H 52 3.816 4.513 -0.697 1 1 551 . 18 1 1 A 52 52 ARG C C 52 178.788 175.073 3.715 1 1 552 . 18 1 1 A 52 52 ARG CA C 52 58.343 57.280 1.063 1 1 553 . 18 1 1 A 52 52 ARG CB C 52 30.053 33.108 -3.055 1 1 556 . 18 1 1 A 52 52 ARG N N 52 120.787 123.204 -2.417 1 1 558 . 18 1 1 A 53 53 TYR H H 53 7.428 8.300 -0.872 1 1 559 . 18 1 1 A 53 53 TYR HA H 53 4.667 4.671 -0.004 1 1 562 . 18 1 1 A 53 53 TYR C C 53 174.743 173.285 1.458 1 1 563 . 18 1 1 A 53 53 TYR CA C 53 57.922 56.261 1.661 1 1 564 . 18 1 1 A 53 53 TYR CB C 53 38.030 38.400 -0.370 1 1 565 . 18 1 1 A 53 53 TYR N N 53 115.269 119.429 -4.160 1 1 566 . 18 1 1 A 54 54 ARG H H 54 7.775 7.879 -0.104 1 1 567 . 18 1 1 A 54 54 ARG HA H 54 4.249 4.255 -0.006 1 1 570 . 18 1 1 A 54 54 ARG C C 54 177.121 175.214 1.907 1 1 571 . 18 1 1 A 54 54 ARG CA C 54 58.720 53.490 5.230 1 1 572 . 18 1 1 A 54 54 ARG CB C 54 29.345 32.157 -2.812 1 1 573 . 18 1 1 A 54 54 ARG N N 54 120.518 120.845 -0.327 1 1 574 . 18 1 1 A 55 55 ARG H H 55 8.319 8.905 -0.586 1 1 575 . 18 1 1 A 55 55 ARG HA H 55 4.249 3.925 0.324 1 1 577 . 18 1 1 A 55 55 ARG C C 55 177.395 176.358 1.037 1 1 578 . 18 1 1 A 55 55 ARG CA C 55 56.766 56.763 0.003 1 1 579 . 18 1 1 A 55 55 ARG CB C 55 29.231 28.877 0.354 1 1 580 . 18 1 1 A 55 55 ARG N N 55 119.094 119.446 -0.352 1 1 581 . 18 1 1 A 56 56 LYS H H 56 8.062 8.181 -0.119 1 1 582 . 18 1 1 A 56 56 LYS HA H 56 4.069 4.377 -0.308 1 1 588 . 18 1 1 A 56 56 LYS C C 56 177.177 177.177 0.000 1 1 589 . 18 1 1 A 56 56 LYS CA C 56 56.740 58.632 -1.892 1 1 590 . 18 1 1 A 56 56 LYS CB C 56 31.291 32.709 -1.418 1 1 594 . 18 1 1 A 56 56 LYS N N 56 121.271 126.176 -4.905 1 1 595 . 18 1 1 A 57 57 GLY H H 57 8.138 8.166 -0.028 1 1 596 . 18 1 1 A 57 57 GLY HA2 H 57 4.055 4.236 -0.181 1 1 597 . 18 1 1 A 57 57 GLY HA3 H 57 3.766 4.335 -0.569 1 1 598 . 18 1 1 A 57 57 GLY C C 57 174.196 173.421 0.775 1 1 599 . 18 1 1 A 57 57 GLY CA C 57 45.336 45.745 -0.409 1 1 600 . 18 1 1 A 57 57 GLY N N 57 108.747 106.481 2.266 1 1 601 . 18 1 1 A 58 58 ASP H H 58 7.937 8.738 -0.801 1 1 602 . 18 1 1 A 58 58 ASP HA H 58 4.571 4.637 -0.066 1 1 604 . 18 1 1 A 58 58 ASP CA C 58 54.548 55.059 -0.511 1 1 605 . 18 1 1 A 58 58 ASP CB C 58 40.254 41.054 -0.800 1 1 606 . 18 1 1 A 58 58 ASP N N 58 121.456 126.970 -5.514 1 1 607 . 18 1 1 A 59 59 ALA H H 59 8.150 8.639 -0.489 1 1 608 . 18 1 1 A 59 59 ALA HA H 59 4.178 4.407 -0.229 1 1 612 . 18 1 1 A 59 59 ALA C C 59 177.927 177.440 0.487 1 1 613 . 18 1 1 A 59 59 ALA CA C 59 52.751 51.110 1.641 1 1 614 . 18 1 1 A 59 59 ALA CB C 59 18.062 19.789 -1.727 1 1 615 . 18 1 1 A 59 59 ALA N N 59 123.316 128.555 -5.239 1 1 616 . 18 1 1 A 60 60 GLY H H 60 8.190 8.673 -0.483 1 1 617 . 18 1 1 A 60 60 GLY HA2 H 60 3.954 3.883 0.071 1 1 618 . 18 1 1 A 60 60 GLY HA3 H 60 3.962 3.891 0.071 1 1 619 . 18 1 1 A 60 60 GLY C C 60 174.572 174.928 -0.356 1 1 620 . 18 1 1 A 60 60 GLY CA C 60 45.301 45.163 0.138 1 1 621 . 18 1 1 A 60 60 GLY N N 60 107.588 107.042 0.546 1 1 622 . 18 1 1 A 61 61 GLY H H 61 8.014 8.553 -0.539 1 1 623 . 18 1 1 A 61 61 GLY HA2 H 61 4.068 4.049 0.019 1 1 624 . 18 1 1 A 61 61 GLY HA3 H 61 3.882 4.057 -0.175 1 1 625 . 18 1 1 A 61 61 GLY C C 61 173.560 173.299 0.261 1 1 626 . 18 1 1 A 61 61 GLY CA C 61 44.784 44.688 0.096 1 1 627 . 18 1 1 A 61 61 GLY N N 61 108.839 108.094 0.745 1 1 628 . 18 1 1 A 62 62 LEU H H 62 8.038 8.416 -0.378 1 1 629 . 18 1 1 A 62 62 LEU HA H 62 4.528 4.962 -0.434 1 1 636 . 18 1 1 A 62 62 LEU C C 62 177.058 178.638 -1.580 1 1 637 . 18 1 1 A 62 62 LEU CA C 62 54.038 53.365 0.673 1 1 638 . 18 1 1 A 62 62 LEU CB C 62 42.254 44.611 -2.357 1 1 641 . 18 1 1 A 62 62 LEU N N 62 122.191 121.582 0.609 1 1 642 . 18 1 1 A 63 63 LYS H H 63 9.378 8.825 0.553 1 1 643 . 18 1 1 A 63 63 LYS HA H 63 4.223 4.286 -0.063 1 1 647 . 18 1 1 A 63 63 LYS C C 63 179.928 178.366 1.562 1 1 648 . 18 1 1 A 63 63 LYS CA C 63 58.665 58.726 -0.061 1 1 649 . 18 1 1 A 63 63 LYS CB C 63 31.663 32.058 -0.395 1 1 651 . 18 1 1 A 63 63 LYS N N 63 129.582 120.280 9.302 1 1 652 . 18 1 1 A 64 64 SER H H 64 10.250 8.156 2.094 1 1 653 . 18 1 1 A 64 64 SER HA H 64 4.169 4.114 0.055 1 1 656 . 18 1 1 A 64 64 SER C C 64 175.569 176.077 -0.508 1 1 657 . 18 1 1 A 64 64 SER CA C 64 61.010 62.455 -1.445 1 1 658 . 18 1 1 A 64 64 SER N N 64 117.647 118.188 -0.541 1 1 659 . 18 1 1 A 65 65 PHE H H 65 7.035 7.642 -0.607 1 1 660 . 18 1 1 A 65 65 PHE HA H 65 4.444 4.194 0.250 1 1 663 . 18 1 1 A 65 65 PHE C C 65 176.884 177.252 -0.368 1 1 664 . 18 1 1 A 65 65 PHE CA C 65 61.911 61.537 0.374 1 1 665 . 18 1 1 A 65 65 PHE CB C 65 38.861 39.332 -0.471 1 1 666 . 18 1 1 A 65 65 PHE N N 65 123.056 122.501 0.555 1 1 667 . 18 1 1 A 66 66 THR H H 66 8.475 7.976 0.499 1 1 668 . 18 1 1 A 66 66 THR HA H 66 3.932 4.050 -0.118 1 1 673 . 18 1 1 A 66 66 THR C C 66 176.884 176.820 0.064 1 1 674 . 18 1 1 A 66 66 THR CA C 66 66.236 66.593 -0.357 1 1 675 . 18 1 1 A 66 66 THR CB C 66 67.993 68.756 -0.763 1 1 677 . 18 1 1 A 66 66 THR N N 66 115.996 115.306 0.690 1 1 678 . 18 1 1 A 67 67 THR H H 67 8.100 7.834 0.266 1 1 679 . 18 1 1 A 67 67 THR HA H 67 3.979 3.966 0.013 1 1 684 . 18 1 1 A 67 67 THR CA C 67 66.516 65.844 0.672 1 1 685 . 18 1 1 A 67 67 THR CB C 67 68.188 68.013 0.175 1 1 687 . 18 1 1 A 67 67 THR N N 67 120.365 113.424 6.941 1 1 688 . 18 1 1 A 68 68 MET H H 68 8.134 7.759 0.375 1 1 689 . 18 1 1 A 68 68 MET HA H 68 4.429 3.818 0.611 1 1 697 . 18 1 1 A 68 68 MET C C 68 177.682 178.053 -0.371 1 1 698 . 18 1 1 A 68 68 MET CA C 68 56.239 58.510 -2.271 1 1 699 . 18 1 1 A 68 68 MET CB C 68 30.516 31.716 -1.200 1 1 702 . 18 1 1 A 68 68 MET N N 68 120.545 120.119 0.426 1 1 703 . 18 1 1 A 69 69 GLN H H 69 9.139 7.389 1.750 1 1 704 . 18 1 1 A 69 69 GLN HA H 69 3.694 3.881 -0.187 1 1 711 . 18 1 1 A 69 69 GLN C C 69 177.433 178.614 -1.181 1 1 712 . 18 1 1 A 69 69 GLN CA C 69 59.779 58.774 1.005 1 1 713 . 18 1 1 A 69 69 GLN CB C 69 28.547 28.232 0.315 1 1 715 . 18 1 1 A 69 69 GLN N N 69 120.358 119.713 0.645 1 1 717 . 18 1 1 A 70 70 THR H H 70 7.809 7.734 0.075 1 1 718 . 18 1 1 A 70 70 THR HA H 70 3.979 3.792 0.187 1 1 723 . 18 1 1 A 70 70 THR C C 70 176.394 176.314 0.080 1 1 724 . 18 1 1 A 70 70 THR CA C 70 66.028 66.564 -0.536 1 1 725 . 18 1 1 A 70 70 THR CB C 70 68.198 68.607 -0.409 1 1 727 . 18 1 1 A 70 70 THR N N 70 116.198 116.679 -0.481 1 1 728 . 18 1 1 A 71 71 ALA H H 71 7.859 8.232 -0.373 1 1 729 . 18 1 1 A 71 71 ALA HA H 71 3.994 3.913 0.081 1 1 733 . 18 1 1 A 71 71 ALA CA C 71 54.902 54.873 0.029 1 1 734 . 18 1 1 A 71 71 ALA CB C 71 17.926 17.813 0.113 1 1 735 . 18 1 1 A 71 71 ALA N N 71 126.667 124.365 2.302 1 1 736 . 18 1 1 A 72 72 LEU H H 72 9.261 7.738 1.523 1 1 737 . 18 1 1 A 72 72 LEU HA H 72 3.915 4.045 -0.130 1 1 743 . 18 1 1 A 72 72 LEU C C 72 179.219 178.318 0.901 1 1 744 . 18 1 1 A 72 72 LEU CA C 72 58.406 58.180 0.226 1 1 745 . 18 1 1 A 72 72 LEU CB C 72 38.744 41.566 -2.822 1 1 747 . 18 1 1 A 72 72 LEU N N 72 119.657 120.412 -0.755 1 1 748 . 18 1 1 A 73 73 ASN H H 73 8.542 8.010 0.532 1 1 749 . 18 1 1 A 73 73 ASN HA H 73 4.606 4.374 0.232 1 1 754 . 18 1 1 A 73 73 ASN CA C 73 55.711 57.260 -1.549 1 1 755 . 18 1 1 A 73 73 ASN CB C 73 37.398 39.038 -1.640 1 1 756 . 18 1 1 A 73 73 ASN N N 73 118.851 117.518 1.333 1 1 758 . 18 1 1 A 74 74 SER H H 74 7.849 7.729 0.120 1 1 759 . 18 1 1 A 74 74 SER HA H 74 4.379 4.119 0.260 1 1 762 . 18 1 1 A 74 74 SER C C 74 175.881 177.402 -1.521 1 1 763 . 18 1 1 A 74 74 SER CA C 74 61.405 61.616 -0.211 1 1 764 . 18 1 1 A 74 74 SER N N 74 118.042 114.071 3.971 1 1 765 . 18 1 1 A 75 75 LEU H H 75 8.084 8.706 -0.622 1 1 766 . 18 1 1 A 75 75 LEU HA H 75 4.181 3.995 0.186 1 1 773 . 18 1 1 A 75 75 LEU C C 75 176.899 179.184 -2.285 1 1 774 . 18 1 1 A 75 75 LEU CA C 75 56.746 58.107 -1.361 1 1 775 . 18 1 1 A 75 75 LEU CB C 75 41.896 41.638 0.258 1 1 777 . 18 1 1 A 75 75 LEU N N 75 124.099 121.667 2.432 1 1 778 . 18 1 1 A 76 76 ALA H H 76 8.695 8.199 0.496 1 1 779 . 18 1 1 A 76 76 ALA HA H 76 4.134 4.156 -0.022 1 1 783 . 18 1 1 A 76 76 ALA C C 76 180.159 180.313 -0.154 1 1 784 . 18 1 1 A 76 76 ALA CA C 76 55.315 55.627 -0.312 1 1 785 . 18 1 1 A 76 76 ALA CB C 76 17.624 18.145 -0.521 1 1 786 . 18 1 1 A 76 76 ALA N N 76 121.934 119.733 2.201 1 1 787 . 18 1 1 A 77 77 GLY H H 77 8.198 8.498 -0.300 1 1 788 . 18 1 1 A 77 77 GLY HA2 H 77 3.917 3.557 0.360 1 1 789 . 18 1 1 A 77 77 GLY HA3 H 77 3.925 3.570 0.355 1 1 790 . 18 1 1 A 77 77 GLY C C 77 175.177 175.551 -0.374 1 1 791 . 18 1 1 A 77 77 GLY CA C 77 46.066 47.020 -0.954 1 1 792 . 18 1 1 A 77 77 GLY N N 77 105.613 105.669 -0.056 1 1 793 . 18 1 1 A 78 78 TYR H H 78 7.973 8.196 -0.223 1 1 794 . 18 1 1 A 78 78 TYR HA H 78 4.326 4.236 0.090 1 1 797 . 18 1 1 A 78 78 TYR C C 78 176.705 177.573 -0.868 1 1 798 . 18 1 1 A 78 78 TYR CA C 78 61.280 60.373 0.907 1 1 799 . 18 1 1 A 78 78 TYR CB C 78 37.737 39.201 -1.464 1 1 800 . 18 1 1 A 78 78 TYR N N 78 123.680 123.045 0.635 1 1 801 . 18 1 1 A 79 79 TYR H H 79 8.347 7.892 0.455 1 1 802 . 18 1 1 A 79 79 TYR HA H 79 4.750 4.086 0.664 1 1 805 . 18 1 1 A 79 79 TYR C C 79 178.135 177.400 0.735 1 1 806 . 18 1 1 A 79 79 TYR CA C 79 57.389 60.103 -2.714 1 1 807 . 18 1 1 A 79 79 TYR CB C 79 36.796 39.272 -2.476 1 1 808 . 18 1 1 A 79 79 TYR N N 79 119.870 120.058 -0.188 1 1 809 . 18 1 1 A 80 80 THR H H 80 8.180 8.877 -0.697 1 1 810 . 18 1 1 A 80 80 THR HA H 80 4.208 3.715 0.493 1 1 815 . 18 1 1 A 80 80 THR C C 80 175.302 174.648 0.654 1 1 816 . 18 1 1 A 80 80 THR CA C 80 64.276 66.289 -2.013 1 1 817 . 18 1 1 A 80 80 THR CB C 80 69.098 68.305 0.793 1 1 819 . 18 1 1 A 80 80 THR N N 80 114.967 115.325 -0.358 1 1 820 . 18 1 1 A 81 81 SER H H 81 8.027 7.793 0.234 1 1 821 . 18 1 1 A 81 81 SER HA H 81 4.214 4.674 -0.460 1 1 824 . 18 1 1 A 81 81 SER C C 81 174.305 173.375 0.930 1 1 825 . 18 1 1 A 81 81 SER CA C 81 60.578 55.407 5.171 1 1 826 . 18 1 1 A 81 81 SER CB C 81 63.385 65.410 -2.025 1 1 827 . 18 1 1 A 81 81 SER N N 81 116.664 114.803 1.861 1 1 828 . 18 1 1 A 82 82 TYR H H 82 8.396 8.728 -0.332 1 1 829 . 18 1 1 A 82 82 TYR HA H 82 4.612 4.656 -0.044 1 1 832 . 18 1 1 A 82 82 TYR C C 82 176.069 175.222 0.847 1 1 833 . 18 1 1 A 82 82 TYR CA C 82 57.676 56.786 0.890 1 1 834 . 18 1 1 A 82 82 TYR CB C 82 38.160 36.639 1.521 1 1 835 . 18 1 1 A 82 82 TYR N N 82 119.325 124.178 -4.853 1 1 836 . 18 1 1 A 83 83 GLY H H 83 7.982 8.068 -0.086 1 1 837 . 18 1 1 A 83 83 GLY HA2 H 83 4.021 3.818 0.203 1 1 838 . 18 1 1 A 83 83 GLY HA3 H 83 3.877 3.954 -0.077 1 1 839 . 18 1 1 A 83 83 GLY C C 83 178.820 173.422 5.398 1 1 840 . 18 1 1 A 83 83 GLY CA C 83 46.170 45.582 0.588 1 1 841 . 18 1 1 A 83 83 GLY N N 83 111.287 109.647 1.640 1 1 842 . 18 1 1 A 84 84 ALA H H 84 8.505 8.059 0.446 1 1 843 . 18 1 1 A 84 84 ALA HA H 84 4.619 4.717 -0.098 1 1 847 . 18 1 1 A 84 84 ALA C C 84 176.933 178.592 -1.659 1 1 848 . 18 1 1 A 84 84 ALA CA C 84 51.514 50.865 0.649 1 1 849 . 18 1 1 A 84 84 ALA CB C 84 18.109 19.555 -1.446 1 1 850 . 18 1 1 A 84 84 ALA N N 84 126.408 126.572 -0.164 1 1 851 . 18 1 1 A 85 85 ARG H H 85 8.057 8.493 -0.436 1 1 852 . 18 1 1 A 85 85 ARG HA H 85 4.696 4.084 0.612 1 1 854 . 18 1 1 A 85 85 ARG CA C 85 53.887 61.191 -7.304 1 1 855 . 18 1 1 A 85 85 ARG CB C 85 30.500 28.699 1.801 1 1 856 . 18 1 1 A 85 85 ARG N N 85 123.060 117.348 5.712 1 1 857 . 18 1 1 A 86 86 PRO HA H 86 4.426 4.568 -0.142 1 1 862 . 18 1 1 A 86 86 PRO CA C 86 62.541 62.752 -0.211 1 1 863 . 18 1 1 A 86 86 PRO CB C 86 31.477 31.730 -0.253 1 1 864 . 18 1 1 A 87 87 ILE H H 87 8.449 8.597 -0.148 1 1 865 . 18 1 1 A 87 87 ILE HA H 87 3.821 4.611 -0.790 1 1 875 . 18 1 1 A 87 87 ILE CA C 87 58.300 59.191 -0.891 1 1 876 . 18 1 1 A 87 87 ILE CB C 87 37.630 39.004 -1.374 1 1 880 . 18 1 1 A 87 87 ILE N N 87 125.558 124.449 1.109 1 1 881 . 18 1 1 A 88 88 PRO HA H 88 4.425 4.525 -0.100 1 1 884 . 18 1 1 A 88 88 PRO C C 88 177.001 177.679 -0.678 1 1 885 . 18 1 1 A 88 88 PRO CA C 88 62.298 63.278 -0.980 1 1 886 . 18 1 1 A 88 88 PRO CB C 88 32.070 32.673 -0.603 1 1 887 . 18 1 1 A 89 89 GLU H H 89 8.861 8.717 0.144 1 1 888 . 18 1 1 A 89 89 GLU HA H 89 3.871 3.993 -0.122 1 1 891 . 18 1 1 A 89 89 GLU C C 89 177.756 178.557 -0.801 1 1 892 . 18 1 1 A 89 89 GLU CA C 89 59.711 58.935 0.776 1 1 893 . 18 1 1 A 89 89 GLU CB C 89 29.119 28.839 0.280 1 1 894 . 18 1 1 A 89 89 GLU N N 89 125.518 123.012 2.506 1 1 895 . 18 1 1 A 90 90 LYS H H 90 8.827 7.923 0.904 1 1 896 . 18 1 1 A 90 90 LYS HA H 90 3.969 4.059 -0.090 1 1 899 . 18 1 1 A 90 90 LYS C C 90 178.672 179.066 -0.394 1 1 900 . 18 1 1 A 90 90 LYS CA C 90 59.423 59.247 0.176 1 1 901 . 18 1 1 A 90 90 LYS CB C 90 31.820 32.469 -0.649 1 1 902 . 18 1 1 A 90 90 LYS N N 90 117.281 119.235 -1.954 1 1 903 . 18 1 1 A 91 91 LEU H H 91 6.857 8.099 -1.242 1 1 904 . 18 1 1 A 91 91 LEU HA H 91 4.212 4.008 0.204 1 1 911 . 18 1 1 A 91 91 LEU CA C 91 56.390 57.310 -0.920 1 1 912 . 18 1 1 A 91 91 LEU CB C 91 40.627 41.137 -0.510 1 1 915 . 18 1 1 A 91 91 LEU N N 91 120.818 119.658 1.160 1 1 916 . 18 1 1 A 92 92 LYS H H 92 8.156 8.255 -0.099 1 1 917 . 18 1 1 A 92 92 LYS HA H 92 3.558 3.944 -0.386 1 1 925 . 18 1 1 A 92 92 LYS C C 92 177.480 178.808 -1.328 1 1 926 . 18 1 1 A 92 92 LYS CA C 92 60.613 59.609 1.004 1 1 927 . 18 1 1 A 92 92 LYS CB C 92 31.812 31.946 -0.134 1 1 931 . 18 1 1 A 92 92 LYS N N 92 120.663 120.994 -0.331 1 1 932 . 18 1 1 A 93 93 LYS H H 93 8.156 8.189 -0.033 1 1 933 . 18 1 1 A 93 93 LYS HA H 93 4.032 3.979 0.053 1 1 936 . 18 1 1 A 93 93 LYS C C 93 178.757 177.943 0.814 1 1 937 . 18 1 1 A 93 93 LYS CA C 93 58.546 59.147 -0.601 1 1 938 . 18 1 1 A 93 93 LYS CB C 93 31.726 31.815 -0.089 1 1 939 . 18 1 1 A 93 93 LYS N N 93 116.478 119.025 -2.547 1 1 940 . 18 1 1 A 94 94 ARG H H 94 7.287 7.965 -0.678 1 1 941 . 18 1 1 A 94 94 ARG HA H 94 4.032 4.039 -0.007 1 1 948 . 18 1 1 A 94 94 ARG C C 94 177.872 178.549 -0.677 1 1 949 . 18 1 1 A 94 94 ARG CA C 94 58.639 58.675 -0.036 1 1 950 . 18 1 1 A 94 94 ARG CB C 94 29.490 30.047 -0.557 1 1 953 . 18 1 1 A 94 94 ARG N N 94 120.980 119.248 1.732 1 1 955 . 18 1 1 A 95 95 LEU H H 95 8.365 8.621 -0.256 1 1 956 . 18 1 1 A 95 95 LEU HA H 95 3.597 3.691 -0.094 1 1 960 . 18 1 1 A 95 95 LEU C C 95 177.342 178.718 -1.376 1 1 961 . 18 1 1 A 95 95 LEU CA C 95 57.009 56.649 0.360 1 1 962 . 18 1 1 A 95 95 LEU CB C 95 40.718 41.580 -0.862 1 1 964 . 18 1 1 A 95 95 LEU N N 95 119.611 119.267 0.344 1 1 965 . 18 1 1 A 96 96 GLN H H 96 8.126 8.414 -0.288 1 1 966 . 18 1 1 A 96 96 GLN HA H 96 4.033 4.145 -0.112 1 1 972 . 18 1 1 A 96 96 GLN C C 96 179.502 178.131 1.371 1 1 973 . 18 1 1 A 96 96 GLN CA C 96 58.743 58.636 0.107 1 1 974 . 18 1 1 A 96 96 GLN CB C 96 27.315 28.546 -1.231 1 1 976 . 18 1 1 A 96 96 GLN N N 96 115.986 119.463 -3.477 1 1 978 . 18 1 1 A 97 97 LEU H H 97 7.574 8.240 -0.666 1 1 979 . 18 1 1 A 97 97 LEU HA H 97 4.176 4.135 0.041 1 1 983 . 18 1 1 A 97 97 LEU CA C 97 57.816 57.043 0.773 1 1 984 . 18 1 1 A 97 97 LEU CB C 97 41.107 42.133 -1.026 1 1 985 . 18 1 1 A 97 97 LEU N N 97 121.721 120.901 0.820 1 1 986 . 18 1 1 A 98 98 GLU H H 98 8.180 8.396 -0.216 1 1 987 . 18 1 1 A 98 98 GLU HA H 98 3.970 3.876 0.094 1 1 989 . 18 1 1 A 98 98 GLU C C 98 178.852 178.735 0.117 1 1 990 . 18 1 1 A 98 98 GLU CA C 98 59.074 59.349 -0.275 1 1 991 . 18 1 1 A 98 98 GLU CB C 98 28.376 29.270 -0.894 1 1 992 . 18 1 1 A 98 98 GLU N N 98 122.418 119.581 2.837 1 1 993 . 18 1 1 A 99 99 PHE H H 99 8.995 7.915 1.080 1 1 994 . 18 1 1 A 99 99 PHE HA H 99 4.560 4.326 0.234 1 1 997 . 18 1 1 A 99 99 PHE C C 99 178.050 177.699 0.351 1 1 998 . 18 1 1 A 99 99 PHE CA C 99 57.595 60.193 -2.598 1 1 999 . 18 1 1 A 99 99 PHE CB C 99 36.788 39.255 -2.467 1 1 1000 . 18 1 1 A 99 99 PHE N N 99 118.943 118.755 0.188 1 1 1001 . 18 1 1 A 100 100 THR H H 100 7.985 8.175 -0.190 1 1 1002 . 18 1 1 A 100 100 THR HA H 100 4.097 4.142 -0.045 1 1 1007 . 18 1 1 A 100 100 THR CA C 100 66.567 65.802 0.765 1 1 1008 . 18 1 1 A 100 100 THR CB C 100 68.200 68.831 -0.631 1 1 1010 . 18 1 1 A 100 100 THR N N 100 117.633 115.782 1.851 1 1 1011 . 18 1 1 A 101 101 GLN H H 101 8.160 8.007 0.153 1 1 1012 . 18 1 1 A 101 101 GLN HA H 101 4.017 4.061 -0.044 1 1 1018 . 18 1 1 A 101 101 GLN C C 101 179.034 178.247 0.787 1 1 1019 . 18 1 1 A 101 101 GLN CA C 101 58.649 58.436 0.213 1 1 1020 . 18 1 1 A 101 101 GLN CB C 101 27.541 28.435 -0.894 1 1 1022 . 18 1 1 A 101 101 GLN N N 101 122.138 119.631 2.507 1 1 1024 . 18 1 1 A 102 102 ALA H H 102 8.768 8.571 0.197 1 1 1025 . 18 1 1 A 102 102 ALA HA H 102 4.036 4.096 -0.060 1 1 1029 . 18 1 1 A 102 102 ALA C C 102 178.466 179.349 -0.883 1 1 1030 . 18 1 1 A 102 102 ALA CA C 102 55.525 55.000 0.525 1 1 1031 . 18 1 1 A 102 102 ALA CB C 102 18.046 18.530 -0.484 1 1 1032 . 18 1 1 A 102 102 ALA N N 102 124.541 122.810 1.731 1 1 1033 . 18 1 1 A 103 103 GLU H H 103 8.552 8.600 -0.048 1 1 1034 . 18 1 1 A 103 103 GLU HA H 103 3.680 4.039 -0.359 1 1 1039 . 18 1 1 A 103 103 GLU C C 103 178.447 178.649 -0.202 1 1 1040 . 18 1 1 A 103 103 GLU CA C 103 59.802 59.484 0.318 1 1 1041 . 18 1 1 A 103 103 GLU CB C 103 29.672 29.317 0.355 1 1 1043 . 18 1 1 A 103 103 GLU N N 103 120.048 119.064 0.984 1 1 1044 . 18 1 1 A 104 104 ARG H H 104 8.242 8.524 -0.282 1 1 1045 . 18 1 1 A 104 104 ARG HA H 104 4.214 4.116 0.098 1 1 1048 . 18 1 1 A 104 104 ARG C C 104 178.958 178.811 0.147 1 1 1049 . 18 1 1 A 104 104 ARG CA C 104 58.135 59.104 -0.969 1 1 1050 . 18 1 1 A 104 104 ARG CB C 104 29.742 29.815 -0.073 1 1 1051 . 18 1 1 A 104 104 ARG N N 104 119.448 120.590 -1.142 1 1 1052 . 18 1 1 A 105 105 SER H H 105 8.087 8.585 -0.498 1 1 1053 . 18 1 1 A 105 105 SER HA H 105 4.290 4.150 0.140 1 1 1056 . 18 1 1 A 105 105 SER CA C 105 61.917 62.652 -0.735 1 1 1057 . 18 1 1 A 105 105 SER N N 105 117.329 117.317 0.012 1 1 1058 . 18 1 1 A 106 106 ILE H H 106 8.403 8.281 0.122 1 1 1059 . 18 1 1 A 106 106 ILE HA H 106 4.113 3.620 0.493 1 1 1069 . 18 1 1 A 106 106 ILE CA C 106 61.487 65.535 -4.048 1 1 1070 . 18 1 1 A 106 106 ILE CB C 106 35.600 37.652 -2.052 1 1 1074 . 18 1 1 A 106 106 ILE N N 106 124.394 121.254 3.140 1 1 1075 . 18 1 1 A 107 107 GLU H H 107 8.187 7.767 0.420 1 1 1076 . 18 1 1 A 107 107 GLU HA H 107 4.126 4.303 -0.177 1 1 1079 . 18 1 1 A 107 107 GLU C C 107 177.494 175.795 1.699 1 1 1080 . 18 1 1 A 107 107 GLU CA C 107 58.849 56.086 2.763 1 1 1081 . 18 1 1 A 107 107 GLU CB C 107 29.052 28.847 0.205 1 1 1082 . 18 1 1 A 107 107 GLU N N 107 123.223 118.409 4.814 1 1 1083 . 18 1 1 A 108 108 ARG H H 108 7.651 8.172 -0.521 1 1 1084 . 18 1 1 A 108 108 ARG HA H 108 4.431 3.963 0.468 1 1 1090 . 18 1 1 A 108 108 ARG C C 108 175.927 176.487 -0.560 1 1 1091 . 18 1 1 A 108 108 ARG CA C 108 55.584 56.779 -1.195 1 1 1092 . 18 1 1 A 108 108 ARG CB C 108 30.806 28.282 2.524 1 1 1094 . 18 1 1 A 108 108 ARG N N 108 117.394 115.551 1.843 1 1 1095 . 18 1 1 A 109 109 GLY H H 109 8.190 8.180 0.010 1 1 1096 . 18 1 1 A 109 109 GLY HA2 H 109 4.141 3.970 0.171 1 1 1097 . 18 1 1 A 109 109 GLY HA3 H 109 4.060 3.970 0.090 1 1 1098 . 18 1 1 A 109 109 GLY C C 109 174.031 173.508 0.523 1 1 1099 . 18 1 1 A 109 109 GLY CA C 109 45.823 45.209 0.614 1 1 1100 . 18 1 1 A 109 109 GLY N N 109 110.712 107.060 3.652 1 1 7 . 19 1 1 A 2 2 ASP H H 2 8.644 8.441 0.203 1 1 8 . 19 1 1 A 2 2 ASP HA H 2 4.373 4.381 -0.008 1 1 11 . 19 1 1 A 2 2 ASP C C 2 178.938 176.137 2.801 1 1 12 . 19 1 1 A 2 2 ASP CA C 2 53.794 57.136 -3.342 1 1 13 . 19 1 1 A 2 2 ASP CB C 2 41.025 40.961 0.064 1 1 14 . 19 1 1 A 2 2 ASP N N 2 122.106 122.854 -0.748 1 1 15 . 19 1 1 A 3 3 SER H H 3 8.508 7.859 0.649 1 1 16 . 19 1 1 A 3 3 SER HA H 3 4.331 4.865 -0.534 1 1 19 . 19 1 1 A 3 3 SER C C 3 174.777 173.567 1.210 1 1 20 . 19 1 1 A 3 3 SER CA C 3 58.141 57.747 0.394 1 1 21 . 19 1 1 A 3 3 SER CB C 3 63.359 65.790 -2.431 1 1 22 . 19 1 1 A 3 3 SER N N 3 117.604 109.603 8.001 1 1 23 . 19 1 1 A 4 4 GLY H H 4 8.603 8.531 0.072 1 1 24 . 19 1 1 A 4 4 GLY HA2 H 4 4.130 4.151 -0.021 1 1 25 . 19 1 1 A 4 4 GLY HA3 H 4 4.076 4.159 -0.083 1 1 26 . 19 1 1 A 4 4 GLY C C 4 174.283 172.762 1.521 1 1 27 . 19 1 1 A 4 4 GLY CA C 4 45.054 44.498 0.556 1 1 28 . 19 1 1 A 4 4 GLY N N 4 111.842 109.345 2.497 1 1 29 . 19 1 1 A 5 5 THR H H 5 8.140 8.615 -0.475 1 1 30 . 19 1 1 A 5 5 THR HA H 5 4.371 4.751 -0.380 1 1 35 . 19 1 1 A 5 5 THR C C 5 174.827 173.128 1.699 1 1 36 . 19 1 1 A 5 5 THR CA C 5 61.515 61.156 0.359 1 1 37 . 19 1 1 A 5 5 THR CB C 5 69.683 71.259 -1.576 1 1 39 . 19 1 1 A 5 5 THR N N 5 112.188 112.970 -0.782 1 1 40 . 19 1 1 A 6 6 GLY H H 6 8.425 8.324 0.101 1 1 41 . 19 1 1 A 6 6 GLY HA2 H 6 4.109 4.236 -0.127 1 1 42 . 19 1 1 A 6 6 GLY HA3 H 6 3.875 4.298 -0.423 1 1 43 . 19 1 1 A 6 6 GLY C C 6 173.670 174.607 -0.937 1 1 44 . 19 1 1 A 6 6 GLY CA C 6 44.466 45.754 -1.288 1 1 45 . 19 1 1 A 6 6 GLY N N 6 110.955 111.821 -0.866 1 1 46 . 19 1 1 A 7 7 LEU H H 7 7.993 7.448 0.545 1 1 47 . 19 1 1 A 7 7 LEU HA H 7 4.503 4.292 0.211 1 1 53 . 19 1 1 A 7 7 LEU C C 7 177.284 176.128 1.156 1 1 54 . 19 1 1 A 7 7 LEU CA C 7 54.741 54.895 -0.154 1 1 55 . 19 1 1 A 7 7 LEU CB C 7 39.284 43.159 -3.875 1 1 58 . 19 1 1 A 7 7 LEU N N 7 121.268 121.299 -0.031 1 1 59 . 19 1 1 A 8 8 THR H H 8 10.385 8.273 2.112 1 1 60 . 19 1 1 A 8 8 THR HA H 8 4.521 3.022 1.499 1 1 65 . 19 1 1 A 8 8 THR C C 8 176.965 174.469 2.496 1 1 66 . 19 1 1 A 8 8 THR CA C 8 64.563 60.503 4.060 1 1 67 . 19 1 1 A 8 8 THR CB C 8 71.946 70.736 1.210 1 1 69 . 19 1 1 A 8 8 THR N N 8 113.472 114.869 -1.397 1 1 70 . 19 1 1 A 9 9 GLY H H 9 9.733 7.861 1.872 1 1 71 . 19 1 1 A 9 9 GLY HA2 H 9 4.391 3.887 0.504 1 1 72 . 19 1 1 A 9 9 GLY HA3 H 9 3.805 3.939 -0.134 1 1 73 . 19 1 1 A 9 9 GLY C C 9 173.133 174.519 -1.386 1 1 74 . 19 1 1 A 9 9 GLY CA C 9 45.453 46.950 -1.497 1 1 75 . 19 1 1 A 9 9 GLY N N 9 114.948 110.680 4.268 1 1 76 . 19 1 1 A 10 10 ASN H H 10 7.664 8.192 -0.528 1 1 77 . 19 1 1 A 10 10 ASN HA H 10 4.906 4.747 0.159 1 1 82 . 19 1 1 A 10 10 ASN C C 10 173.098 174.543 -1.445 1 1 83 . 19 1 1 A 10 10 ASN CA C 10 51.504 53.427 -1.923 1 1 84 . 19 1 1 A 10 10 ASN CB C 10 38.449 40.065 -1.616 1 1 85 . 19 1 1 A 10 10 ASN N N 10 120.991 118.934 2.057 1 1 87 . 19 1 1 A 11 11 TYR H H 11 8.892 8.852 0.040 1 1 88 . 19 1 1 A 11 11 TYR HA H 11 3.767 4.762 -0.995 1 1 91 . 19 1 1 A 11 11 TYR C C 11 177.871 176.835 1.036 1 1 92 . 19 1 1 A 11 11 TYR CA C 11 61.897 57.476 4.421 1 1 93 . 19 1 1 A 11 11 TYR CB C 11 38.099 39.339 -1.240 1 1 94 . 19 1 1 A 11 11 TYR N N 11 128.653 123.224 5.429 1 1 95 . 19 1 1 A 12 12 SER H H 12 8.729 8.980 -0.251 1 1 96 . 19 1 1 A 12 12 SER HA H 12 3.747 4.534 -0.787 1 1 99 . 19 1 1 A 12 12 SER C C 12 174.675 176.764 -2.089 1 1 100 . 19 1 1 A 12 12 SER CA C 12 62.371 61.340 1.031 1 1 101 . 19 1 1 A 12 12 SER CB C 12 61.600 62.696 -1.096 1 1 102 . 19 1 1 A 12 12 SER N N 12 119.446 116.734 2.712 1 1 103 . 19 1 1 A 13 13 GLN H H 13 7.645 7.846 -0.201 1 1 104 . 19 1 1 A 13 13 GLN HA H 13 3.955 4.143 -0.188 1 1 110 . 19 1 1 A 13 13 GLN C C 13 178.400 178.170 0.230 1 1 111 . 19 1 1 A 13 13 GLN CA C 13 58.083 58.699 -0.616 1 1 112 . 19 1 1 A 13 13 GLN CB C 13 28.328 28.154 0.174 1 1 114 . 19 1 1 A 13 13 GLN N N 13 121.234 121.931 -0.697 1 1 116 . 19 1 1 A 14 14 ASP H H 14 9.314 8.424 0.890 1 1 117 . 19 1 1 A 14 14 ASP HA H 14 4.513 4.461 0.052 1 1 120 . 19 1 1 A 14 14 ASP C C 14 177.320 178.113 -0.793 1 1 121 . 19 1 1 A 14 14 ASP CA C 14 56.778 57.154 -0.376 1 1 122 . 19 1 1 A 14 14 ASP CB C 14 40.380 40.977 -0.597 1 1 123 . 19 1 1 A 14 14 ASP N N 14 120.095 120.045 0.050 1 1 124 . 19 1 1 A 15 15 THR H H 15 8.283 8.157 0.126 1 1 125 . 19 1 1 A 15 15 THR HA H 15 3.637 3.969 -0.332 1 1 130 . 19 1 1 A 15 15 THR C C 15 174.455 177.236 -2.781 1 1 131 . 19 1 1 A 15 15 THR CA C 15 67.657 66.046 1.611 1 1 132 . 19 1 1 A 15 15 THR CB C 15 67.465 68.258 -0.793 1 1 134 . 19 1 1 A 15 15 THR N N 15 117.657 113.423 4.234 1 1 135 . 19 1 1 A 16 16 LEU H H 16 7.452 7.879 -0.427 1 1 136 . 19 1 1 A 16 16 LEU HA H 16 3.919 3.968 -0.049 1 1 140 . 19 1 1 A 16 16 LEU C C 16 179.666 179.295 0.371 1 1 141 . 19 1 1 A 16 16 LEU CA C 16 57.864 58.054 -0.190 1 1 142 . 19 1 1 A 16 16 LEU CB C 16 39.811 41.353 -1.542 1 1 144 . 19 1 1 A 16 16 LEU N N 16 120.034 122.437 -2.403 1 1 145 . 19 1 1 A 17 17 THR H H 17 8.708 7.627 1.081 1 1 146 . 19 1 1 A 17 17 THR HA H 17 3.893 3.950 -0.057 1 1 151 . 19 1 1 A 17 17 THR C C 17 179.666 176.740 2.926 1 1 152 . 19 1 1 A 17 17 THR CA C 17 66.152 66.822 -0.670 1 1 153 . 19 1 1 A 17 17 THR CB C 17 67.921 68.433 -0.512 1 1 155 . 19 1 1 A 17 17 THR N N 17 121.382 116.187 5.195 1 1 156 . 19 1 1 A 18 18 VAL H H 18 8.194 8.376 -0.182 1 1 157 . 19 1 1 A 18 18 VAL HA H 18 3.705 3.502 0.203 1 1 165 . 19 1 1 A 18 18 VAL C C 18 177.242 177.928 -0.686 1 1 166 . 19 1 1 A 18 18 VAL CA C 18 65.886 66.861 -0.975 1 1 167 . 19 1 1 A 18 18 VAL CB C 18 30.729 31.740 -1.011 1 1 170 . 19 1 1 A 18 18 VAL N N 18 123.227 121.480 1.747 1 1 171 . 19 1 1 A 19 19 ILE H H 19 7.933 9.272 -1.339 1 1 172 . 19 1 1 A 19 19 ILE HA H 19 2.633 3.760 -1.127 1 1 182 . 19 1 1 A 19 19 ILE C C 19 176.276 178.601 -2.325 1 1 183 . 19 1 1 A 19 19 ILE CA C 19 66.137 65.504 0.633 1 1 184 . 19 1 1 A 19 19 ILE CB C 19 37.782 37.406 0.376 1 1 188 . 19 1 1 A 19 19 ILE N N 19 119.786 118.918 0.868 1 1 189 . 19 1 1 A 20 20 ALA H H 20 7.782 7.746 0.036 1 1 190 . 19 1 1 A 20 20 ALA HA H 20 3.972 4.139 -0.167 1 1 194 . 19 1 1 A 20 20 ALA C C 20 180.867 179.859 1.008 1 1 195 . 19 1 1 A 20 20 ALA CA C 20 55.170 55.313 -0.143 1 1 196 . 19 1 1 A 20 20 ALA CB C 20 17.282 18.611 -1.329 1 1 197 . 19 1 1 A 20 20 ALA N N 20 121.793 123.654 -1.861 1 1 198 . 19 1 1 A 21 21 THR H H 21 8.573 7.623 0.950 1 1 199 . 19 1 1 A 21 21 THR HA H 21 3.902 3.914 -0.012 1 1 204 . 19 1 1 A 21 21 THR C C 21 176.720 176.473 0.247 1 1 205 . 19 1 1 A 21 21 THR CA C 21 65.200 67.022 -1.822 1 1 206 . 19 1 1 A 21 21 THR CB C 21 68.092 68.225 -0.133 1 1 208 . 19 1 1 A 21 21 THR N N 21 118.393 113.147 5.246 1 1 209 . 19 1 1 A 22 22 LEU H H 22 8.583 8.523 0.060 1 1 210 . 19 1 1 A 22 22 LEU HA H 22 4.065 3.901 0.164 1 1 217 . 19 1 1 A 22 22 LEU C C 22 178.284 178.931 -0.647 1 1 218 . 19 1 1 A 22 22 LEU CA C 22 57.005 58.363 -1.358 1 1 219 . 19 1 1 A 22 22 LEU CB C 22 40.209 41.630 -1.421 1 1 223 . 19 1 1 A 22 22 LEU N N 22 122.517 120.726 1.791 1 1 224 . 19 1 1 A 23 23 ARG H H 23 8.858 8.201 0.657 1 1 225 . 19 1 1 A 23 23 ARG HA H 23 3.873 4.039 -0.166 1 1 230 . 19 1 1 A 23 23 ARG C C 23 178.503 178.409 0.094 1 1 231 . 19 1 1 A 23 23 ARG CA C 23 60.362 59.123 1.239 1 1 232 . 19 1 1 A 23 23 ARG CB C 23 29.808 29.534 0.274 1 1 235 . 19 1 1 A 23 23 ARG N N 23 120.502 117.815 2.687 1 1 237 . 19 1 1 A 24 24 GLU H H 24 7.250 7.602 -0.352 1 1 238 . 19 1 1 A 24 24 GLU HA H 24 4.109 3.737 0.372 1 1 243 . 19 1 1 A 24 24 GLU CA C 24 58.312 58.548 -0.236 1 1 244 . 19 1 1 A 24 24 GLU CB C 24 29.024 29.237 -0.213 1 1 246 . 19 1 1 A 24 24 GLU N N 24 117.221 118.811 -1.590 1 1 247 . 19 1 1 A 25 25 ALA H H 25 8.223 8.128 0.095 1 1 248 . 19 1 1 A 25 25 ALA HA H 25 3.983 4.051 -0.068 1 1 252 . 19 1 1 A 25 25 ALA C C 25 180.617 179.304 1.313 1 1 253 . 19 1 1 A 25 25 ALA CA C 25 55.203 55.055 0.148 1 1 254 . 19 1 1 A 25 25 ALA CB C 25 17.657 18.222 -0.565 1 1 255 . 19 1 1 A 25 25 ALA N N 25 121.823 122.080 -0.257 1 1 256 . 19 1 1 A 26 26 ILE H H 26 8.552 7.813 0.739 1 1 257 . 19 1 1 A 26 26 ILE HA H 26 4.144 3.871 0.273 1 1 267 . 19 1 1 A 26 26 ILE C C 26 175.586 176.646 -1.060 1 1 268 . 19 1 1 A 26 26 ILE CA C 26 63.790 63.226 0.564 1 1 269 . 19 1 1 A 26 26 ILE CB C 26 37.496 37.950 -0.454 1 1 273 . 19 1 1 A 26 26 ILE N N 26 112.838 118.677 -5.839 1 1 274 . 19 1 1 A 27 27 ASP H H 27 7.175 7.151 0.024 1 1 275 . 19 1 1 A 27 27 ASP HA H 27 4.934 4.659 0.275 1 1 278 . 19 1 1 A 27 27 ASP C C 27 175.602 175.463 0.139 1 1 279 . 19 1 1 A 27 27 ASP CA C 27 53.160 53.099 0.061 1 1 280 . 19 1 1 A 27 27 ASP CB C 27 41.754 40.549 1.205 1 1 281 . 19 1 1 A 27 27 ASP N N 27 120.840 120.116 0.724 1 1 282 . 19 1 1 A 28 28 LEU H H 28 7.136 7.132 0.004 1 1 283 . 19 1 1 A 28 28 LEU HA H 28 4.510 4.368 0.142 1 1 290 . 19 1 1 A 28 28 LEU CA C 28 53.379 53.287 0.092 1 1 291 . 19 1 1 A 28 28 LEU CB C 28 42.286 41.665 0.621 1 1 294 . 19 1 1 A 28 28 LEU N N 28 124.155 118.891 5.264 1 1 295 . 19 1 1 A 29 29 PRO HA H 29 4.552 4.523 0.029 1 1 301 . 19 1 1 A 29 29 PRO C C 29 177.414 177.337 0.077 1 1 302 . 19 1 1 A 29 29 PRO CA C 29 62.506 62.975 -0.469 1 1 303 . 19 1 1 A 29 29 PRO CB C 29 32.263 32.713 -0.450 1 1 305 . 19 1 1 A 30 30 GLN H H 30 8.935 8.553 0.382 1 1 306 . 19 1 1 A 30 30 GLN HA H 30 3.966 4.074 -0.108 1 1 311 . 19 1 1 A 30 30 GLN C C 30 175.595 176.718 -1.123 1 1 312 . 19 1 1 A 30 30 GLN CA C 30 58.036 58.303 -0.267 1 1 313 . 19 1 1 A 30 30 GLN CB C 30 28.116 28.394 -0.278 1 1 315 . 19 1 1 A 30 30 GLN N N 30 122.119 121.681 0.438 1 1 317 . 19 1 1 A 31 31 ASP H H 31 8.353 7.950 0.403 1 1 318 . 19 1 1 A 31 31 ASP HA H 31 4.682 4.679 0.003 1 1 321 . 19 1 1 A 31 31 ASP C C 31 175.518 175.683 -0.165 1 1 322 . 19 1 1 A 31 31 ASP CA C 31 52.178 54.541 -2.363 1 1 323 . 19 1 1 A 31 31 ASP CB C 31 39.270 41.457 -2.187 1 1 324 . 19 1 1 A 31 31 ASP N N 31 115.909 118.305 -2.396 1 1 325 . 19 1 1 A 32 32 ALA H H 32 7.467 7.366 0.101 1 1 326 . 19 1 1 A 32 32 ALA HA H 32 4.564 4.815 -0.251 1 1 330 . 19 1 1 A 32 32 ALA CA C 32 50.496 49.957 0.539 1 1 331 . 19 1 1 A 32 32 ALA CB C 32 17.852 19.035 -1.183 1 1 332 . 19 1 1 A 32 32 ALA N N 32 124.893 122.118 2.775 1 1 333 . 19 1 1 A 33 33 PRO HA H 33 4.494 4.429 0.065 1 1 339 . 19 1 1 A 33 33 PRO C C 33 176.278 177.431 -1.153 1 1 340 . 19 1 1 A 33 33 PRO CA C 33 63.894 64.417 -0.523 1 1 341 . 19 1 1 A 33 33 PRO CB C 33 31.354 32.109 -0.755 1 1 344 . 19 1 1 A 34 34 ASN H H 34 8.577 8.833 -0.256 1 1 345 . 19 1 1 A 34 34 ASN HA H 34 5.041 4.779 0.262 1 1 350 . 19 1 1 A 34 34 ASN C C 34 174.678 175.922 -1.244 1 1 351 . 19 1 1 A 34 34 ASN CA C 34 51.792 52.450 -0.658 1 1 352 . 19 1 1 A 34 34 ASN CB C 34 36.334 37.816 -1.482 1 1 353 . 19 1 1 A 34 34 ASN N N 34 115.598 115.249 0.349 1 1 355 . 19 1 1 A 35 35 ARG H H 35 7.401 8.123 -0.722 1 1 356 . 19 1 1 A 35 35 ARG HA H 35 3.726 4.000 -0.274 1 1 363 . 19 1 1 A 35 35 ARG C C 35 176.887 178.355 -1.468 1 1 364 . 19 1 1 A 35 35 ARG CA C 35 60.063 60.253 -0.190 1 1 365 . 19 1 1 A 35 35 ARG CB C 35 29.571 30.090 -0.519 1 1 368 . 19 1 1 A 35 35 ARG N N 35 119.690 122.371 -2.681 1 1 370 . 19 1 1 A 36 36 GLN H H 36 8.780 8.075 0.705 1 1 371 . 19 1 1 A 36 36 GLN HA H 36 3.805 4.282 -0.477 1 1 377 . 19 1 1 A 36 36 GLN CA C 36 58.618 59.025 -0.407 1 1 378 . 19 1 1 A 36 36 GLN CB C 36 27.595 28.382 -0.787 1 1 380 . 19 1 1 A 36 36 GLN N N 36 119.100 119.468 -0.368 1 1 382 . 19 1 1 A 37 37 GLU H H 37 8.128 7.974 0.154 1 1 383 . 19 1 1 A 37 37 GLU HA H 37 4.137 4.194 -0.057 1 1 387 . 19 1 1 A 37 37 GLU C C 37 179.222 178.934 0.288 1 1 388 . 19 1 1 A 37 37 GLU CA C 37 59.336 58.768 0.568 1 1 389 . 19 1 1 A 37 37 GLU CB C 37 28.781 29.995 -1.214 1 1 391 . 19 1 1 A 37 37 GLU N N 37 120.485 119.481 1.004 1 1 392 . 19 1 1 A 38 38 VAL H H 38 8.127 8.897 -0.770 1 1 393 . 19 1 1 A 38 38 VAL HA H 38 3.708 3.644 0.064 1 1 401 . 19 1 1 A 38 38 VAL C C 38 178.246 178.112 0.134 1 1 402 . 19 1 1 A 38 38 VAL CA C 38 66.019 66.463 -0.444 1 1 403 . 19 1 1 A 38 38 VAL CB C 38 31.008 31.584 -0.576 1 1 406 . 19 1 1 A 38 38 VAL N N 38 121.937 120.404 1.533 1 1 407 . 19 1 1 A 39 39 GLN H H 39 8.324 7.591 0.733 1 1 408 . 19 1 1 A 39 39 GLN HA H 39 3.764 3.982 -0.218 1 1 415 . 19 1 1 A 39 39 GLN C C 39 177.642 177.689 -0.047 1 1 416 . 19 1 1 A 39 39 GLN CA C 39 59.019 58.904 0.115 1 1 417 . 19 1 1 A 39 39 GLN CB C 39 27.176 28.325 -1.149 1 1 419 . 19 1 1 A 39 39 GLN N N 39 120.203 120.206 -0.003 1 1 421 . 19 1 1 A 40 40 ASP H H 40 8.699 8.408 0.291 1 1 422 . 19 1 1 A 40 40 ASP HA H 40 4.391 4.326 0.065 1 1 425 . 19 1 1 A 40 40 ASP C C 40 179.726 178.798 0.928 1 1 426 . 19 1 1 A 40 40 ASP CA C 40 57.267 57.507 -0.240 1 1 427 . 19 1 1 A 40 40 ASP CB C 40 39.458 41.896 -2.438 1 1 428 . 19 1 1 A 40 40 ASP N N 40 121.604 120.079 1.525 1 1 429 . 19 1 1 A 41 41 THR H H 41 8.449 7.460 0.989 1 1 430 . 19 1 1 A 41 41 THR HA H 41 3.981 3.906 0.075 1 1 435 . 19 1 1 A 41 41 THR CA C 41 66.254 65.999 0.255 1 1 436 . 19 1 1 A 41 41 THR CB C 41 67.937 68.559 -0.622 1 1 437 . 19 1 1 A 41 41 THR N N 41 121.386 116.079 5.307 1 1 438 . 19 1 1 A 42 42 ALA H H 42 8.552 7.917 0.635 1 1 439 . 19 1 1 A 42 42 ALA HA H 42 3.876 3.995 -0.119 1 1 443 . 19 1 1 A 42 42 ALA C C 42 178.300 180.041 -1.741 1 1 444 . 19 1 1 A 42 42 ALA CA C 42 55.244 55.001 0.243 1 1 445 . 19 1 1 A 42 42 ALA CB C 42 17.295 18.220 -0.925 1 1 446 . 19 1 1 A 42 42 ALA N N 42 126.245 123.552 2.693 1 1 447 . 19 1 1 A 43 43 ARG H H 43 8.553 8.101 0.452 1 1 448 . 19 1 1 A 43 43 ARG HA H 43 3.923 4.020 -0.097 1 1 451 . 19 1 1 A 43 43 ARG C C 43 178.522 178.872 -0.350 1 1 452 . 19 1 1 A 43 43 ARG CA C 43 59.680 59.591 0.089 1 1 453 . 19 1 1 A 43 43 ARG CB C 43 29.887 29.810 0.077 1 1 454 . 19 1 1 A 43 43 ARG N N 43 117.705 119.525 -1.820 1 1 455 . 19 1 1 A 44 44 GLY H H 44 8.049 7.937 0.112 1 1 456 . 19 1 1 A 44 44 GLY HA2 H 44 4.066 3.797 0.269 1 1 457 . 19 1 1 A 44 44 GLY HA3 H 44 3.972 3.797 0.175 1 1 458 . 19 1 1 A 44 44 GLY CA C 44 46.710 47.550 -0.840 1 1 459 . 19 1 1 A 44 44 GLY N N 44 106.443 106.809 -0.366 1 1 460 . 19 1 1 A 45 45 GLN H H 45 8.305 7.891 0.414 1 1 461 . 19 1 1 A 45 45 GLN HA H 45 4.204 4.348 -0.144 1 1 466 . 19 1 1 A 45 45 GLN C C 45 177.942 179.089 -1.147 1 1 467 . 19 1 1 A 45 45 GLN CA C 45 59.930 58.469 1.461 1 1 468 . 19 1 1 A 45 45 GLN CB C 45 28.520 28.466 0.054 1 1 470 . 19 1 1 A 45 45 GLN N N 45 123.780 120.961 2.819 1 1 472 . 19 1 1 A 46 46 ILE H H 46 8.673 7.555 1.118 1 1 473 . 19 1 1 A 46 46 ILE HA H 46 3.594 3.694 -0.100 1 1 483 . 19 1 1 A 46 46 ILE C C 46 176.649 177.947 -1.298 1 1 484 . 19 1 1 A 46 46 ILE CA C 46 66.299 65.498 0.801 1 1 485 . 19 1 1 A 46 46 ILE CB C 46 37.762 37.613 0.149 1 1 489 . 19 1 1 A 46 46 ILE N N 46 120.050 121.215 -1.165 1 1 490 . 19 1 1 A 47 47 ASN H H 47 7.866 8.312 -0.446 1 1 491 . 19 1 1 A 47 47 ASN HA H 47 4.525 4.426 0.099 1 1 495 . 19 1 1 A 47 47 ASN C C 47 176.649 177.635 -0.986 1 1 496 . 19 1 1 A 47 47 ASN CA C 47 55.703 56.558 -0.855 1 1 497 . 19 1 1 A 47 47 ASN CB C 47 37.925 37.751 0.174 1 1 498 . 19 1 1 A 47 47 ASN N N 47 116.444 118.895 -2.451 1 1 500 . 19 1 1 A 48 48 ASP H H 48 8.185 8.165 0.020 1 1 501 . 19 1 1 A 48 48 ASP HA H 48 4.460 4.405 0.055 1 1 504 . 19 1 1 A 48 48 ASP C C 48 176.285 178.006 -1.721 1 1 505 . 19 1 1 A 48 48 ASP CA C 48 56.635 57.180 -0.545 1 1 506 . 19 1 1 A 48 48 ASP CB C 48 41.593 40.191 1.402 1 1 507 . 19 1 1 A 48 48 ASP N N 48 121.725 119.324 2.401 1 1 508 . 19 1 1 A 49 49 TYR H H 49 8.756 8.349 0.407 1 1 509 . 19 1 1 A 49 49 TYR HA H 49 3.892 4.584 -0.692 1 1 512 . 19 1 1 A 49 49 TYR C C 49 176.432 177.047 -0.615 1 1 513 . 19 1 1 A 49 49 TYR CA C 49 62.617 61.494 1.123 1 1 514 . 19 1 1 A 49 49 TYR CB C 49 39.188 38.807 0.381 1 1 515 . 19 1 1 A 49 49 TYR N N 49 121.005 121.329 -0.324 1 1 516 . 19 1 1 A 50 50 ILE H H 50 8.481 9.169 -0.688 1 1 517 . 19 1 1 A 50 50 ILE HA H 50 3.901 4.037 -0.136 1 1 527 . 19 1 1 A 50 50 ILE C C 50 177.407 177.186 0.221 1 1 528 . 19 1 1 A 50 50 ILE CA C 50 63.893 63.841 0.052 1 1 529 . 19 1 1 A 50 50 ILE CB C 50 36.668 38.288 -1.620 1 1 533 . 19 1 1 A 50 50 ILE N N 50 117.237 119.893 -2.656 1 1 534 . 19 1 1 A 51 51 SER H H 51 7.870 7.957 -0.087 1 1 535 . 19 1 1 A 51 51 SER HA H 51 4.203 4.659 -0.456 1 1 538 . 19 1 1 A 51 51 SER C C 51 177.413 174.487 2.926 1 1 539 . 19 1 1 A 51 51 SER CA C 51 61.003 57.395 3.608 1 1 540 . 19 1 1 A 51 51 SER CB C 51 62.711 63.337 -0.626 1 1 541 . 19 1 1 A 51 51 SER N N 51 113.635 111.772 1.863 1 1 542 . 19 1 1 A 52 52 ARG H H 52 8.386 7.569 0.817 1 1 543 . 19 1 1 A 52 52 ARG HA H 52 3.816 4.369 -0.553 1 1 551 . 19 1 1 A 52 52 ARG C C 52 178.788 174.537 4.251 1 1 552 . 19 1 1 A 52 52 ARG CA C 52 58.343 56.434 1.909 1 1 553 . 19 1 1 A 52 52 ARG CB C 52 30.053 32.603 -2.550 1 1 556 . 19 1 1 A 52 52 ARG N N 52 120.787 118.672 2.115 1 1 558 . 19 1 1 A 53 53 TYR H H 53 7.428 8.700 -1.272 1 1 559 . 19 1 1 A 53 53 TYR HA H 53 4.667 4.855 -0.188 1 1 562 . 19 1 1 A 53 53 TYR C C 53 174.743 174.998 -0.255 1 1 563 . 19 1 1 A 53 53 TYR CA C 53 57.922 55.561 2.361 1 1 564 . 19 1 1 A 53 53 TYR CB C 53 38.030 37.988 0.042 1 1 565 . 19 1 1 A 53 53 TYR N N 53 115.269 116.610 -1.341 1 1 566 . 19 1 1 A 54 54 ARG H H 54 7.775 8.342 -0.567 1 1 567 . 19 1 1 A 54 54 ARG HA H 54 4.249 3.427 0.822 1 1 570 . 19 1 1 A 54 54 ARG C C 54 177.121 176.596 0.525 1 1 571 . 19 1 1 A 54 54 ARG CA C 54 58.720 56.715 2.005 1 1 572 . 19 1 1 A 54 54 ARG CB C 54 29.345 31.697 -2.352 1 1 573 . 19 1 1 A 54 54 ARG N N 54 120.518 124.426 -3.908 1 1 574 . 19 1 1 A 55 55 ARG H H 55 8.319 7.579 0.740 1 1 575 . 19 1 1 A 55 55 ARG HA H 55 4.249 4.162 0.087 1 1 577 . 19 1 1 A 55 55 ARG C C 55 177.395 176.797 0.598 1 1 578 . 19 1 1 A 55 55 ARG CA C 55 56.766 56.890 -0.124 1 1 579 . 19 1 1 A 55 55 ARG CB C 55 29.231 30.895 -1.664 1 1 580 . 19 1 1 A 55 55 ARG N N 55 119.094 118.950 0.144 1 1 581 . 19 1 1 A 56 56 LYS H H 56 8.062 8.507 -0.445 1 1 582 . 19 1 1 A 56 56 LYS HA H 56 4.069 4.404 -0.335 1 1 588 . 19 1 1 A 56 56 LYS C C 56 177.177 176.246 0.931 1 1 589 . 19 1 1 A 56 56 LYS CA C 56 56.740 54.995 1.745 1 1 590 . 19 1 1 A 56 56 LYS CB C 56 31.291 33.150 -1.859 1 1 594 . 19 1 1 A 56 56 LYS N N 56 121.271 117.738 3.533 1 1 595 . 19 1 1 A 57 57 GLY H H 57 8.138 7.861 0.277 1 1 596 . 19 1 1 A 57 57 GLY HA2 H 57 4.055 3.488 0.567 1 1 597 . 19 1 1 A 57 57 GLY HA3 H 57 3.766 3.776 -0.010 1 1 598 . 19 1 1 A 57 57 GLY C C 57 174.196 173.999 0.197 1 1 599 . 19 1 1 A 57 57 GLY CA C 57 45.336 44.799 0.537 1 1 600 . 19 1 1 A 57 57 GLY N N 57 108.747 109.389 -0.642 1 1 601 . 19 1 1 A 58 58 ASP H H 58 7.937 8.219 -0.282 1 1 602 . 19 1 1 A 58 58 ASP HA H 58 4.571 4.344 0.227 1 1 604 . 19 1 1 A 58 58 ASP CA C 58 54.548 54.736 -0.188 1 1 605 . 19 1 1 A 58 58 ASP CB C 58 40.254 39.110 1.144 1 1 606 . 19 1 1 A 58 58 ASP N N 58 121.456 120.251 1.205 1 1 607 . 19 1 1 A 59 59 ALA H H 59 8.150 8.225 -0.075 1 1 608 . 19 1 1 A 59 59 ALA HA H 59 4.178 4.329 -0.151 1 1 612 . 19 1 1 A 59 59 ALA C C 59 177.927 177.705 0.222 1 1 613 . 19 1 1 A 59 59 ALA CA C 59 52.751 52.970 -0.219 1 1 614 . 19 1 1 A 59 59 ALA CB C 59 18.062 19.790 -1.728 1 1 615 . 19 1 1 A 59 59 ALA N N 59 123.316 126.669 -3.353 1 1 616 . 19 1 1 A 60 60 GLY H H 60 8.190 8.203 -0.013 1 1 617 . 19 1 1 A 60 60 GLY HA2 H 60 3.954 4.060 -0.106 1 1 618 . 19 1 1 A 60 60 GLY HA3 H 60 3.962 4.067 -0.105 1 1 619 . 19 1 1 A 60 60 GLY C C 60 174.572 175.060 -0.488 1 1 620 . 19 1 1 A 60 60 GLY CA C 60 45.301 45.077 0.224 1 1 621 . 19 1 1 A 60 60 GLY N N 60 107.588 106.321 1.267 1 1 622 . 19 1 1 A 61 61 GLY H H 61 8.014 8.736 -0.722 1 1 623 . 19 1 1 A 61 61 GLY HA2 H 61 4.068 4.099 -0.031 1 1 624 . 19 1 1 A 61 61 GLY HA3 H 61 3.882 4.127 -0.245 1 1 625 . 19 1 1 A 61 61 GLY C C 61 173.560 173.811 -0.251 1 1 626 . 19 1 1 A 61 61 GLY CA C 61 44.784 45.243 -0.459 1 1 627 . 19 1 1 A 61 61 GLY N N 61 108.839 108.402 0.437 1 1 628 . 19 1 1 A 62 62 LEU H H 62 8.038 8.545 -0.507 1 1 629 . 19 1 1 A 62 62 LEU HA H 62 4.528 5.103 -0.575 1 1 636 . 19 1 1 A 62 62 LEU C C 62 177.058 177.251 -0.193 1 1 637 . 19 1 1 A 62 62 LEU CA C 62 54.038 52.598 1.440 1 1 638 . 19 1 1 A 62 62 LEU CB C 62 42.254 45.206 -2.952 1 1 641 . 19 1 1 A 62 62 LEU N N 62 122.191 121.133 1.058 1 1 642 . 19 1 1 A 63 63 LYS H H 63 9.378 8.947 0.431 1 1 643 . 19 1 1 A 63 63 LYS HA H 63 4.223 4.151 0.072 1 1 647 . 19 1 1 A 63 63 LYS C C 63 179.928 178.702 1.226 1 1 648 . 19 1 1 A 63 63 LYS CA C 63 58.665 58.832 -0.167 1 1 649 . 19 1 1 A 63 63 LYS CB C 63 31.663 32.243 -0.580 1 1 651 . 19 1 1 A 63 63 LYS N N 63 129.582 120.623 8.959 1 1 652 . 19 1 1 A 64 64 SER H H 64 10.250 8.146 2.104 1 1 653 . 19 1 1 A 64 64 SER HA H 64 4.169 4.336 -0.167 1 1 656 . 19 1 1 A 64 64 SER C C 64 175.569 176.618 -1.049 1 1 657 . 19 1 1 A 64 64 SER CA C 64 61.010 62.243 -1.233 1 1 658 . 19 1 1 A 64 64 SER N N 64 117.647 118.173 -0.526 1 1 659 . 19 1 1 A 65 65 PHE H H 65 7.035 7.845 -0.810 1 1 660 . 19 1 1 A 65 65 PHE HA H 65 4.444 4.306 0.138 1 1 663 . 19 1 1 A 65 65 PHE C C 65 176.884 176.851 0.033 1 1 664 . 19 1 1 A 65 65 PHE CA C 65 61.911 61.568 0.343 1 1 665 . 19 1 1 A 65 65 PHE CB C 65 38.861 39.524 -0.663 1 1 666 . 19 1 1 A 65 65 PHE N N 65 123.056 121.834 1.222 1 1 667 . 19 1 1 A 66 66 THR H H 66 8.475 7.829 0.646 1 1 668 . 19 1 1 A 66 66 THR HA H 66 3.932 3.488 0.444 1 1 673 . 19 1 1 A 66 66 THR C C 66 176.884 176.576 0.308 1 1 674 . 19 1 1 A 66 66 THR CA C 66 66.236 65.624 0.612 1 1 675 . 19 1 1 A 66 66 THR CB C 66 67.993 68.400 -0.407 1 1 677 . 19 1 1 A 66 66 THR N N 66 115.996 114.271 1.725 1 1 678 . 19 1 1 A 67 67 THR H H 67 8.100 7.644 0.456 1 1 679 . 19 1 1 A 67 67 THR HA H 67 3.979 3.914 0.065 1 1 684 . 19 1 1 A 67 67 THR CA C 67 66.516 66.126 0.390 1 1 685 . 19 1 1 A 67 67 THR CB C 67 68.188 68.344 -0.156 1 1 687 . 19 1 1 A 67 67 THR N N 67 120.365 116.075 4.290 1 1 688 . 19 1 1 A 68 68 MET H H 68 8.134 7.895 0.239 1 1 689 . 19 1 1 A 68 68 MET HA H 68 4.429 3.959 0.470 1 1 697 . 19 1 1 A 68 68 MET C C 68 177.682 178.174 -0.492 1 1 698 . 19 1 1 A 68 68 MET CA C 68 56.239 59.094 -2.855 1 1 699 . 19 1 1 A 68 68 MET CB C 68 30.516 32.419 -1.903 1 1 702 . 19 1 1 A 68 68 MET N N 68 120.545 119.095 1.450 1 1 703 . 19 1 1 A 69 69 GLN H H 69 9.139 7.250 1.889 1 1 704 . 19 1 1 A 69 69 GLN HA H 69 3.694 4.053 -0.359 1 1 711 . 19 1 1 A 69 69 GLN C C 69 177.433 178.788 -1.355 1 1 712 . 19 1 1 A 69 69 GLN CA C 69 59.779 58.877 0.902 1 1 713 . 19 1 1 A 69 69 GLN CB C 69 28.547 28.168 0.379 1 1 715 . 19 1 1 A 69 69 GLN N N 69 120.358 119.050 1.308 1 1 717 . 19 1 1 A 70 70 THR H H 70 7.809 7.645 0.164 1 1 718 . 19 1 1 A 70 70 THR HA H 70 3.979 3.867 0.112 1 1 723 . 19 1 1 A 70 70 THR C C 70 176.394 176.320 0.074 1 1 724 . 19 1 1 A 70 70 THR CA C 70 66.028 66.606 -0.578 1 1 725 . 19 1 1 A 70 70 THR CB C 70 68.198 68.688 -0.490 1 1 727 . 19 1 1 A 70 70 THR N N 70 116.198 116.317 -0.119 1 1 728 . 19 1 1 A 71 71 ALA H H 71 7.859 8.821 -0.962 1 1 729 . 19 1 1 A 71 71 ALA HA H 71 3.994 4.089 -0.095 1 1 733 . 19 1 1 A 71 71 ALA CA C 71 54.902 55.035 -0.133 1 1 734 . 19 1 1 A 71 71 ALA CB C 71 17.926 18.087 -0.161 1 1 735 . 19 1 1 A 71 71 ALA N N 71 126.667 124.336 2.331 1 1 736 . 19 1 1 A 72 72 LEU H H 72 9.261 7.900 1.361 1 1 737 . 19 1 1 A 72 72 LEU HA H 72 3.915 4.072 -0.157 1 1 743 . 19 1 1 A 72 72 LEU C C 72 179.219 178.520 0.699 1 1 744 . 19 1 1 A 72 72 LEU CA C 72 58.406 58.339 0.067 1 1 745 . 19 1 1 A 72 72 LEU CB C 72 38.744 41.656 -2.912 1 1 747 . 19 1 1 A 72 72 LEU N N 72 119.657 120.467 -0.810 1 1 748 . 19 1 1 A 73 73 ASN H H 73 8.542 8.032 0.510 1 1 749 . 19 1 1 A 73 73 ASN HA H 73 4.606 4.524 0.082 1 1 754 . 19 1 1 A 73 73 ASN CA C 73 55.711 56.234 -0.523 1 1 755 . 19 1 1 A 73 73 ASN CB C 73 37.398 38.216 -0.818 1 1 756 . 19 1 1 A 73 73 ASN N N 73 118.851 117.025 1.826 1 1 758 . 19 1 1 A 74 74 SER H H 74 7.849 7.729 0.120 1 1 759 . 19 1 1 A 74 74 SER HA H 74 4.379 4.179 0.200 1 1 762 . 19 1 1 A 74 74 SER C C 74 175.881 176.087 -0.206 1 1 763 . 19 1 1 A 74 74 SER CA C 74 61.405 62.423 -1.018 1 1 764 . 19 1 1 A 74 74 SER N N 74 118.042 117.036 1.006 1 1 765 . 19 1 1 A 75 75 LEU H H 75 8.084 9.310 -1.226 1 1 766 . 19 1 1 A 75 75 LEU HA H 75 4.181 3.964 0.217 1 1 773 . 19 1 1 A 75 75 LEU C C 75 176.899 179.008 -2.109 1 1 774 . 19 1 1 A 75 75 LEU CA C 75 56.746 58.200 -1.454 1 1 775 . 19 1 1 A 75 75 LEU CB C 75 41.896 41.696 0.200 1 1 777 . 19 1 1 A 75 75 LEU N N 75 124.099 121.630 2.469 1 1 778 . 19 1 1 A 76 76 ALA H H 76 8.695 8.128 0.567 1 1 779 . 19 1 1 A 76 76 ALA HA H 76 4.134 4.176 -0.042 1 1 783 . 19 1 1 A 76 76 ALA C C 76 180.159 180.294 -0.135 1 1 784 . 19 1 1 A 76 76 ALA CA C 76 55.315 55.576 -0.261 1 1 785 . 19 1 1 A 76 76 ALA CB C 76 17.624 18.165 -0.541 1 1 786 . 19 1 1 A 76 76 ALA N N 76 121.934 119.870 2.064 1 1 787 . 19 1 1 A 77 77 GLY H H 77 8.198 8.314 -0.116 1 1 788 . 19 1 1 A 77 77 GLY HA2 H 77 3.917 3.699 0.218 1 1 789 . 19 1 1 A 77 77 GLY HA3 H 77 3.925 3.719 0.206 1 1 790 . 19 1 1 A 77 77 GLY C C 77 175.177 175.558 -0.381 1 1 791 . 19 1 1 A 77 77 GLY CA C 77 46.066 47.292 -1.226 1 1 792 . 19 1 1 A 77 77 GLY N N 77 105.613 105.896 -0.283 1 1 793 . 19 1 1 A 78 78 TYR H H 78 7.973 8.693 -0.720 1 1 794 . 19 1 1 A 78 78 TYR HA H 78 4.326 4.176 0.150 1 1 797 . 19 1 1 A 78 78 TYR C C 78 176.705 177.212 -0.507 1 1 798 . 19 1 1 A 78 78 TYR CA C 78 61.280 60.990 0.290 1 1 799 . 19 1 1 A 78 78 TYR CB C 78 37.737 38.807 -1.070 1 1 800 . 19 1 1 A 78 78 TYR N N 78 123.680 123.044 0.636 1 1 801 . 19 1 1 A 79 79 TYR H H 79 8.347 7.755 0.592 1 1 802 . 19 1 1 A 79 79 TYR HA H 79 4.750 3.706 1.044 1 1 805 . 19 1 1 A 79 79 TYR C C 79 178.135 176.844 1.291 1 1 806 . 19 1 1 A 79 79 TYR CA C 79 57.389 61.621 -4.232 1 1 807 . 19 1 1 A 79 79 TYR CB C 79 36.796 38.440 -1.644 1 1 808 . 19 1 1 A 79 79 TYR N N 79 119.870 120.486 -0.616 1 1 809 . 19 1 1 A 80 80 THR H H 80 8.180 8.514 -0.334 1 1 810 . 19 1 1 A 80 80 THR HA H 80 4.208 3.130 1.078 1 1 815 . 19 1 1 A 80 80 THR C C 80 175.302 175.056 0.246 1 1 816 . 19 1 1 A 80 80 THR CA C 80 64.276 65.891 -1.615 1 1 817 . 19 1 1 A 80 80 THR CB C 80 69.098 68.303 0.795 1 1 819 . 19 1 1 A 80 80 THR N N 80 114.967 113.659 1.308 1 1 820 . 19 1 1 A 81 81 SER H H 81 8.027 7.380 0.647 1 1 821 . 19 1 1 A 81 81 SER HA H 81 4.214 4.413 -0.199 1 1 824 . 19 1 1 A 81 81 SER C C 81 174.305 174.941 -0.636 1 1 825 . 19 1 1 A 81 81 SER CA C 81 60.578 59.109 1.469 1 1 826 . 19 1 1 A 81 81 SER CB C 81 63.385 64.565 -1.180 1 1 827 . 19 1 1 A 81 81 SER N N 81 116.664 115.912 0.752 1 1 828 . 19 1 1 A 82 82 TYR H H 82 8.396 8.685 -0.289 1 1 829 . 19 1 1 A 82 82 TYR HA H 82 4.612 4.112 0.500 1 1 832 . 19 1 1 A 82 82 TYR C C 82 176.069 176.178 -0.109 1 1 833 . 19 1 1 A 82 82 TYR CA C 82 57.676 60.370 -2.694 1 1 834 . 19 1 1 A 82 82 TYR CB C 82 38.160 38.642 -0.482 1 1 835 . 19 1 1 A 82 82 TYR N N 82 119.325 123.589 -4.264 1 1 836 . 19 1 1 A 83 83 GLY H H 83 7.982 8.232 -0.250 1 1 837 . 19 1 1 A 83 83 GLY HA2 H 83 4.021 3.821 0.200 1 1 838 . 19 1 1 A 83 83 GLY HA3 H 83 3.877 3.840 0.037 1 1 839 . 19 1 1 A 83 83 GLY C C 83 178.820 174.933 3.887 1 1 840 . 19 1 1 A 83 83 GLY CA C 83 46.170 45.406 0.764 1 1 841 . 19 1 1 A 83 83 GLY N N 83 111.287 109.051 2.236 1 1 842 . 19 1 1 A 84 84 ALA H H 84 8.505 8.974 -0.469 1 1 843 . 19 1 1 A 84 84 ALA HA H 84 4.619 3.977 0.642 1 1 847 . 19 1 1 A 84 84 ALA C C 84 176.933 176.206 0.727 1 1 848 . 19 1 1 A 84 84 ALA CA C 84 51.514 53.057 -1.543 1 1 849 . 19 1 1 A 84 84 ALA CB C 84 18.109 18.058 0.051 1 1 850 . 19 1 1 A 84 84 ALA N N 84 126.408 122.850 3.558 1 1 851 . 19 1 1 A 85 85 ARG H H 85 8.057 7.904 0.153 1 1 852 . 19 1 1 A 85 85 ARG HA H 85 4.696 4.768 -0.072 1 1 854 . 19 1 1 A 85 85 ARG CA C 85 53.887 52.968 0.919 1 1 855 . 19 1 1 A 85 85 ARG CB C 85 30.500 33.296 -2.796 1 1 856 . 19 1 1 A 85 85 ARG N N 85 123.060 116.360 6.700 1 1 857 . 19 1 1 A 86 86 PRO HA H 86 4.426 4.420 0.006 1 1 862 . 19 1 1 A 86 86 PRO CA C 86 62.541 63.262 -0.721 1 1 863 . 19 1 1 A 86 86 PRO CB C 86 31.477 31.780 -0.303 1 1 864 . 19 1 1 A 87 87 ILE H H 87 8.449 8.314 0.135 1 1 865 . 19 1 1 A 87 87 ILE HA H 87 3.821 4.067 -0.246 1 1 875 . 19 1 1 A 87 87 ILE CA C 87 58.300 60.234 -1.934 1 1 876 . 19 1 1 A 87 87 ILE CB C 87 37.630 38.038 -0.408 1 1 880 . 19 1 1 A 87 87 ILE N N 87 125.558 123.900 1.658 1 1 881 . 19 1 1 A 88 88 PRO HA H 88 4.425 4.506 -0.081 1 1 884 . 19 1 1 A 88 88 PRO C C 88 177.001 177.871 -0.870 1 1 885 . 19 1 1 A 88 88 PRO CA C 88 62.298 63.405 -1.107 1 1 886 . 19 1 1 A 88 88 PRO CB C 88 32.070 32.532 -0.462 1 1 887 . 19 1 1 A 89 89 GLU H H 89 8.861 8.650 0.211 1 1 888 . 19 1 1 A 89 89 GLU HA H 89 3.871 3.955 -0.084 1 1 891 . 19 1 1 A 89 89 GLU C C 89 177.756 178.751 -0.995 1 1 892 . 19 1 1 A 89 89 GLU CA C 89 59.711 59.767 -0.056 1 1 893 . 19 1 1 A 89 89 GLU CB C 89 29.119 29.362 -0.243 1 1 894 . 19 1 1 A 89 89 GLU N N 89 125.518 122.730 2.788 1 1 895 . 19 1 1 A 90 90 LYS H H 90 8.827 7.818 1.009 1 1 896 . 19 1 1 A 90 90 LYS HA H 90 3.969 4.095 -0.126 1 1 899 . 19 1 1 A 90 90 LYS C C 90 178.672 179.373 -0.701 1 1 900 . 19 1 1 A 90 90 LYS CA C 90 59.423 59.290 0.133 1 1 901 . 19 1 1 A 90 90 LYS CB C 90 31.820 32.310 -0.490 1 1 902 . 19 1 1 A 90 90 LYS N N 90 117.281 120.284 -3.003 1 1 903 . 19 1 1 A 91 91 LEU H H 91 6.857 8.022 -1.165 1 1 904 . 19 1 1 A 91 91 LEU HA H 91 4.212 3.990 0.222 1 1 911 . 19 1 1 A 91 91 LEU CA C 91 56.390 57.834 -1.444 1 1 912 . 19 1 1 A 91 91 LEU CB C 91 40.627 41.438 -0.811 1 1 915 . 19 1 1 A 91 91 LEU N N 91 120.818 119.750 1.068 1 1 916 . 19 1 1 A 92 92 LYS H H 92 8.156 8.516 -0.360 1 1 917 . 19 1 1 A 92 92 LYS HA H 92 3.558 4.009 -0.451 1 1 925 . 19 1 1 A 92 92 LYS C C 92 177.480 178.819 -1.339 1 1 926 . 19 1 1 A 92 92 LYS CA C 92 60.613 59.714 0.899 1 1 927 . 19 1 1 A 92 92 LYS CB C 92 31.812 32.059 -0.247 1 1 931 . 19 1 1 A 92 92 LYS N N 92 120.663 120.519 0.144 1 1 932 . 19 1 1 A 93 93 LYS H H 93 8.156 8.742 -0.586 1 1 933 . 19 1 1 A 93 93 LYS HA H 93 4.032 3.984 0.048 1 1 936 . 19 1 1 A 93 93 LYS C C 93 178.757 178.868 -0.111 1 1 937 . 19 1 1 A 93 93 LYS CA C 93 58.546 59.491 -0.945 1 1 938 . 19 1 1 A 93 93 LYS CB C 93 31.726 32.033 -0.307 1 1 939 . 19 1 1 A 93 93 LYS N N 93 116.478 119.151 -2.673 1 1 940 . 19 1 1 A 94 94 ARG H H 94 7.287 8.414 -1.127 1 1 941 . 19 1 1 A 94 94 ARG HA H 94 4.032 4.076 -0.044 1 1 948 . 19 1 1 A 94 94 ARG C C 94 177.872 178.816 -0.944 1 1 949 . 19 1 1 A 94 94 ARG CA C 94 58.639 59.183 -0.544 1 1 950 . 19 1 1 A 94 94 ARG CB C 94 29.490 30.201 -0.711 1 1 953 . 19 1 1 A 94 94 ARG N N 94 120.980 118.980 2.000 1 1 955 . 19 1 1 A 95 95 LEU H H 95 8.365 9.227 -0.862 1 1 956 . 19 1 1 A 95 95 LEU HA H 95 3.597 4.028 -0.431 1 1 960 . 19 1 1 A 95 95 LEU C C 95 177.342 179.577 -2.235 1 1 961 . 19 1 1 A 95 95 LEU CA C 95 57.009 58.026 -1.017 1 1 962 . 19 1 1 A 95 95 LEU CB C 95 40.718 41.133 -0.415 1 1 964 . 19 1 1 A 95 95 LEU N N 95 119.611 119.874 -0.263 1 1 965 . 19 1 1 A 96 96 GLN H H 96 8.126 9.214 -1.088 1 1 966 . 19 1 1 A 96 96 GLN HA H 96 4.033 4.183 -0.150 1 1 972 . 19 1 1 A 96 96 GLN C C 96 179.502 178.347 1.155 1 1 973 . 19 1 1 A 96 96 GLN CA C 96 58.743 59.109 -0.366 1 1 974 . 19 1 1 A 96 96 GLN CB C 96 27.315 28.315 -1.000 1 1 976 . 19 1 1 A 96 96 GLN N N 96 115.986 119.666 -3.680 1 1 978 . 19 1 1 A 97 97 LEU H H 97 7.574 8.995 -1.421 1 1 979 . 19 1 1 A 97 97 LEU HA H 97 4.176 4.097 0.079 1 1 983 . 19 1 1 A 97 97 LEU CA C 97 57.816 57.734 0.082 1 1 984 . 19 1 1 A 97 97 LEU CB C 97 41.107 42.106 -0.999 1 1 985 . 19 1 1 A 97 97 LEU N N 97 121.721 121.153 0.568 1 1 986 . 19 1 1 A 98 98 GLU H H 98 8.180 9.368 -1.188 1 1 987 . 19 1 1 A 98 98 GLU HA H 98 3.970 3.982 -0.012 1 1 989 . 19 1 1 A 98 98 GLU C C 98 178.852 179.042 -0.190 1 1 990 . 19 1 1 A 98 98 GLU CA C 98 59.074 59.517 -0.443 1 1 991 . 19 1 1 A 98 98 GLU CB C 98 28.376 29.377 -1.001 1 1 992 . 19 1 1 A 98 98 GLU N N 98 122.418 119.626 2.792 1 1 993 . 19 1 1 A 99 99 PHE H H 99 8.995 9.400 -0.405 1 1 994 . 19 1 1 A 99 99 PHE HA H 99 4.560 4.077 0.483 1 1 997 . 19 1 1 A 99 99 PHE C C 99 178.050 177.891 0.159 1 1 998 . 19 1 1 A 99 99 PHE CA C 99 57.595 61.417 -3.822 1 1 999 . 19 1 1 A 99 99 PHE CB C 99 36.788 39.190 -2.402 1 1 1000 . 19 1 1 A 99 99 PHE N N 99 118.943 122.034 -3.091 1 1 1001 . 19 1 1 A 100 100 THR H H 100 7.985 8.877 -0.892 1 1 1002 . 19 1 1 A 100 100 THR HA H 100 4.097 3.639 0.458 1 1 1007 . 19 1 1 A 100 100 THR CA C 100 66.567 65.281 1.286 1 1 1008 . 19 1 1 A 100 100 THR CB C 100 68.200 68.322 -0.122 1 1 1010 . 19 1 1 A 100 100 THR N N 100 117.633 113.350 4.283 1 1 1011 . 19 1 1 A 101 101 GLN H H 101 8.160 8.952 -0.792 1 1 1012 . 19 1 1 A 101 101 GLN HA H 101 4.017 4.025 -0.008 1 1 1018 . 19 1 1 A 101 101 GLN C C 101 179.034 177.575 1.459 1 1 1019 . 19 1 1 A 101 101 GLN CA C 101 58.649 57.637 1.012 1 1 1020 . 19 1 1 A 101 101 GLN CB C 101 27.541 28.922 -1.381 1 1 1022 . 19 1 1 A 101 101 GLN N N 101 122.138 120.149 1.989 1 1 1024 . 19 1 1 A 102 102 ALA H H 102 8.768 8.946 -0.178 1 1 1025 . 19 1 1 A 102 102 ALA HA H 102 4.036 4.231 -0.195 1 1 1029 . 19 1 1 A 102 102 ALA C C 102 178.466 178.892 -0.426 1 1 1030 . 19 1 1 A 102 102 ALA CA C 102 55.525 54.974 0.551 1 1 1031 . 19 1 1 A 102 102 ALA CB C 102 18.046 19.086 -1.040 1 1 1032 . 19 1 1 A 102 102 ALA N N 102 124.541 122.202 2.339 1 1 1033 . 19 1 1 A 103 103 GLU H H 103 8.552 8.984 -0.432 1 1 1034 . 19 1 1 A 103 103 GLU HA H 103 3.680 3.965 -0.285 1 1 1039 . 19 1 1 A 103 103 GLU C C 103 178.447 178.687 -0.240 1 1 1040 . 19 1 1 A 103 103 GLU CA C 103 59.802 59.179 0.623 1 1 1041 . 19 1 1 A 103 103 GLU CB C 103 29.672 29.120 0.552 1 1 1043 . 19 1 1 A 103 103 GLU N N 103 120.048 118.799 1.249 1 1 1044 . 19 1 1 A 104 104 ARG H H 104 8.242 8.136 0.106 1 1 1045 . 19 1 1 A 104 104 ARG HA H 104 4.214 3.941 0.273 1 1 1048 . 19 1 1 A 104 104 ARG C C 104 178.958 178.376 0.582 1 1 1049 . 19 1 1 A 104 104 ARG CA C 104 58.135 59.180 -1.045 1 1 1050 . 19 1 1 A 104 104 ARG CB C 104 29.742 29.805 -0.063 1 1 1051 . 19 1 1 A 104 104 ARG N N 104 119.448 120.126 -0.678 1 1 1052 . 19 1 1 A 105 105 SER H H 105 8.087 7.446 0.641 1 1 1053 . 19 1 1 A 105 105 SER HA H 105 4.290 4.339 -0.049 1 1 1056 . 19 1 1 A 105 105 SER CA C 105 61.917 61.090 0.827 1 1 1057 . 19 1 1 A 105 105 SER N N 105 117.329 113.939 3.390 1 1 1058 . 19 1 1 A 106 106 ILE H H 106 8.403 8.091 0.312 1 1 1059 . 19 1 1 A 106 106 ILE HA H 106 4.113 3.811 0.302 1 1 1069 . 19 1 1 A 106 106 ILE CA C 106 61.487 63.576 -2.089 1 1 1070 . 19 1 1 A 106 106 ILE CB C 106 35.600 37.416 -1.816 1 1 1074 . 19 1 1 A 106 106 ILE N N 106 124.394 121.766 2.628 1 1 1075 . 19 1 1 A 107 107 GLU H H 107 8.187 7.803 0.384 1 1 1076 . 19 1 1 A 107 107 GLU HA H 107 4.126 4.220 -0.094 1 1 1079 . 19 1 1 A 107 107 GLU C C 107 177.494 177.208 0.286 1 1 1080 . 19 1 1 A 107 107 GLU CA C 107 58.849 58.754 0.095 1 1 1081 . 19 1 1 A 107 107 GLU CB C 107 29.052 30.005 -0.953 1 1 1082 . 19 1 1 A 107 107 GLU N N 107 123.223 121.485 1.738 1 1 1083 . 19 1 1 A 108 108 ARG H H 108 7.651 7.764 -0.113 1 1 1084 . 19 1 1 A 108 108 ARG HA H 108 4.431 4.644 -0.213 1 1 1090 . 19 1 1 A 108 108 ARG C C 108 175.927 175.144 0.783 1 1 1091 . 19 1 1 A 108 108 ARG CA C 108 55.584 55.288 0.296 1 1 1092 . 19 1 1 A 108 108 ARG CB C 108 30.806 31.192 -0.386 1 1 1094 . 19 1 1 A 108 108 ARG N N 108 117.394 117.113 0.281 1 1 1095 . 19 1 1 A 109 109 GLY H H 109 8.190 8.544 -0.354 1 1 1096 . 19 1 1 A 109 109 GLY HA2 H 109 4.141 4.124 0.017 1 1 1097 . 19 1 1 A 109 109 GLY HA3 H 109 4.060 4.131 -0.071 1 1 1098 . 19 1 1 A 109 109 GLY C C 109 174.031 174.026 0.005 1 1 1099 . 19 1 1 A 109 109 GLY CA C 109 45.823 45.761 0.062 1 1 1100 . 19 1 1 A 109 109 GLY N N 109 110.712 111.725 -1.013 1 1 7 . 20 1 1 A 2 2 ASP H H 2 8.644 8.561 0.083 1 1 8 . 20 1 1 A 2 2 ASP HA H 2 4.373 4.928 -0.555 1 1 11 . 20 1 1 A 2 2 ASP C C 2 178.938 175.398 3.540 1 1 12 . 20 1 1 A 2 2 ASP CA C 2 53.794 53.050 0.744 1 1 13 . 20 1 1 A 2 2 ASP CB C 2 41.025 42.088 -1.063 1 1 14 . 20 1 1 A 2 2 ASP N N 2 122.106 124.447 -2.341 1 1 15 . 20 1 1 A 3 3 SER H H 3 8.508 7.469 1.039 1 1 16 . 20 1 1 A 3 3 SER HA H 3 4.331 4.286 0.045 1 1 19 . 20 1 1 A 3 3 SER C C 3 174.777 174.903 -0.126 1 1 20 . 20 1 1 A 3 3 SER CA C 3 58.141 58.651 -0.510 1 1 21 . 20 1 1 A 3 3 SER CB C 3 63.359 63.667 -0.308 1 1 22 . 20 1 1 A 3 3 SER N N 3 117.604 116.739 0.865 1 1 23 . 20 1 1 A 4 4 GLY H H 4 8.603 8.719 -0.116 1 1 24 . 20 1 1 A 4 4 GLY HA2 H 4 4.130 4.044 0.086 1 1 25 . 20 1 1 A 4 4 GLY HA3 H 4 4.076 4.051 0.025 1 1 26 . 20 1 1 A 4 4 GLY C C 4 174.283 174.190 0.093 1 1 27 . 20 1 1 A 4 4 GLY CA C 4 45.054 44.679 0.375 1 1 28 . 20 1 1 A 4 4 GLY N N 4 111.842 114.121 -2.279 1 1 29 . 20 1 1 A 5 5 THR H H 5 8.140 8.717 -0.577 1 1 30 . 20 1 1 A 5 5 THR HA H 5 4.371 4.211 0.160 1 1 35 . 20 1 1 A 5 5 THR C C 5 174.827 176.176 -1.349 1 1 36 . 20 1 1 A 5 5 THR CA C 5 61.515 63.427 -1.912 1 1 37 . 20 1 1 A 5 5 THR CB C 5 69.683 69.706 -0.023 1 1 39 . 20 1 1 A 5 5 THR N N 5 112.188 116.683 -4.495 1 1 40 . 20 1 1 A 6 6 GLY H H 6 8.425 8.445 -0.020 1 1 41 . 20 1 1 A 6 6 GLY HA2 H 6 4.109 3.944 0.165 1 1 42 . 20 1 1 A 6 6 GLY HA3 H 6 3.875 3.953 -0.078 1 1 43 . 20 1 1 A 6 6 GLY C C 6 173.670 174.480 -0.810 1 1 44 . 20 1 1 A 6 6 GLY CA C 6 44.466 45.514 -1.048 1 1 45 . 20 1 1 A 6 6 GLY N N 6 110.955 114.417 -3.462 1 1 46 . 20 1 1 A 7 7 LEU H H 7 7.993 7.327 0.666 1 1 47 . 20 1 1 A 7 7 LEU HA H 7 4.503 3.926 0.577 1 1 53 . 20 1 1 A 7 7 LEU C C 7 177.284 176.886 0.398 1 1 54 . 20 1 1 A 7 7 LEU CA C 7 54.741 55.753 -1.012 1 1 55 . 20 1 1 A 7 7 LEU CB C 7 39.284 41.595 -2.311 1 1 58 . 20 1 1 A 7 7 LEU N N 7 121.268 121.162 0.106 1 1 59 . 20 1 1 A 8 8 THR H H 8 10.385 8.510 1.875 1 1 60 . 20 1 1 A 8 8 THR HA H 8 4.521 3.946 0.575 1 1 65 . 20 1 1 A 8 8 THR C C 8 176.965 174.938 2.027 1 1 66 . 20 1 1 A 8 8 THR CA C 8 64.563 65.169 -0.606 1 1 67 . 20 1 1 A 8 8 THR CB C 8 71.946 69.710 2.236 1 1 69 . 20 1 1 A 8 8 THR N N 8 113.472 121.145 -7.673 1 1 70 . 20 1 1 A 9 9 GLY H H 9 9.733 6.996 2.737 1 1 71 . 20 1 1 A 9 9 GLY HA2 H 9 4.391 3.872 0.519 1 1 72 . 20 1 1 A 9 9 GLY HA3 H 9 3.805 3.992 -0.187 1 1 73 . 20 1 1 A 9 9 GLY C C 9 173.133 173.601 -0.468 1 1 74 . 20 1 1 A 9 9 GLY CA C 9 45.453 45.142 0.311 1 1 75 . 20 1 1 A 9 9 GLY N N 9 114.948 108.033 6.915 1 1 76 . 20 1 1 A 10 10 ASN H H 10 7.664 7.236 0.428 1 1 77 . 20 1 1 A 10 10 ASN HA H 10 4.906 4.320 0.586 1 1 82 . 20 1 1 A 10 10 ASN C C 10 173.098 172.877 0.221 1 1 83 . 20 1 1 A 10 10 ASN CA C 10 51.504 52.909 -1.405 1 1 84 . 20 1 1 A 10 10 ASN CB C 10 38.449 39.546 -1.097 1 1 85 . 20 1 1 A 10 10 ASN N N 10 120.991 116.824 4.167 1 1 87 . 20 1 1 A 11 11 TYR H H 11 8.892 8.288 0.604 1 1 88 . 20 1 1 A 11 11 TYR HA H 11 3.767 5.163 -1.396 1 1 91 . 20 1 1 A 11 11 TYR C C 11 177.871 175.973 1.898 1 1 92 . 20 1 1 A 11 11 TYR CA C 11 61.897 57.129 4.768 1 1 93 . 20 1 1 A 11 11 TYR CB C 11 38.099 40.628 -2.529 1 1 94 . 20 1 1 A 11 11 TYR N N 11 128.653 117.453 11.200 1 1 95 . 20 1 1 A 12 12 SER H H 12 8.729 8.942 -0.213 1 1 96 . 20 1 1 A 12 12 SER HA H 12 3.747 4.634 -0.887 1 1 99 . 20 1 1 A 12 12 SER C C 12 174.675 177.011 -2.336 1 1 100 . 20 1 1 A 12 12 SER CA C 12 62.371 61.429 0.942 1 1 101 . 20 1 1 A 12 12 SER CB C 12 61.600 62.558 -0.958 1 1 102 . 20 1 1 A 12 12 SER N N 12 119.446 116.255 3.191 1 1 103 . 20 1 1 A 13 13 GLN H H 13 7.645 8.563 -0.918 1 1 104 . 20 1 1 A 13 13 GLN HA H 13 3.955 4.089 -0.134 1 1 110 . 20 1 1 A 13 13 GLN C C 13 178.400 178.125 0.275 1 1 111 . 20 1 1 A 13 13 GLN CA C 13 58.083 58.681 -0.598 1 1 112 . 20 1 1 A 13 13 GLN CB C 13 28.328 28.513 -0.185 1 1 114 . 20 1 1 A 13 13 GLN N N 13 121.234 120.478 0.756 1 1 116 . 20 1 1 A 14 14 ASP H H 14 9.314 8.080 1.234 1 1 117 . 20 1 1 A 14 14 ASP HA H 14 4.513 4.423 0.090 1 1 120 . 20 1 1 A 14 14 ASP C C 14 177.320 178.752 -1.432 1 1 121 . 20 1 1 A 14 14 ASP CA C 14 56.778 57.192 -0.414 1 1 122 . 20 1 1 A 14 14 ASP CB C 14 40.380 40.327 0.053 1 1 123 . 20 1 1 A 14 14 ASP N N 14 120.095 120.488 -0.393 1 1 124 . 20 1 1 A 15 15 THR H H 15 8.283 7.635 0.648 1 1 125 . 20 1 1 A 15 15 THR HA H 15 3.637 4.057 -0.420 1 1 130 . 20 1 1 A 15 15 THR C C 15 174.455 176.822 -2.367 1 1 131 . 20 1 1 A 15 15 THR CA C 15 67.657 67.242 0.415 1 1 132 . 20 1 1 A 15 15 THR CB C 15 67.465 68.173 -0.708 1 1 134 . 20 1 1 A 15 15 THR N N 15 117.657 116.399 1.258 1 1 135 . 20 1 1 A 16 16 LEU H H 16 7.452 7.903 -0.451 1 1 136 . 20 1 1 A 16 16 LEU HA H 16 3.919 3.939 -0.020 1 1 140 . 20 1 1 A 16 16 LEU C C 16 179.666 179.460 0.206 1 1 141 . 20 1 1 A 16 16 LEU CA C 16 57.864 58.118 -0.254 1 1 142 . 20 1 1 A 16 16 LEU CB C 16 39.811 41.604 -1.793 1 1 144 . 20 1 1 A 16 16 LEU N N 16 120.034 121.365 -1.331 1 1 145 . 20 1 1 A 17 17 THR H H 17 8.708 7.864 0.844 1 1 146 . 20 1 1 A 17 17 THR HA H 17 3.893 3.931 -0.038 1 1 151 . 20 1 1 A 17 17 THR C C 17 179.666 176.663 3.003 1 1 152 . 20 1 1 A 17 17 THR CA C 17 66.152 66.712 -0.560 1 1 153 . 20 1 1 A 17 17 THR CB C 17 67.921 68.828 -0.907 1 1 155 . 20 1 1 A 17 17 THR N N 17 121.382 115.836 5.546 1 1 156 . 20 1 1 A 18 18 VAL H H 18 8.194 8.662 -0.468 1 1 157 . 20 1 1 A 18 18 VAL HA H 18 3.705 3.701 0.004 1 1 165 . 20 1 1 A 18 18 VAL C C 18 177.242 178.258 -1.016 1 1 166 . 20 1 1 A 18 18 VAL CA C 18 65.886 67.318 -1.432 1 1 167 . 20 1 1 A 18 18 VAL CB C 18 30.729 31.582 -0.853 1 1 170 . 20 1 1 A 18 18 VAL N N 18 123.227 121.625 1.602 1 1 171 . 20 1 1 A 19 19 ILE H H 19 7.933 9.636 -1.703 1 1 172 . 20 1 1 A 19 19 ILE HA H 19 2.633 3.704 -1.071 1 1 182 . 20 1 1 A 19 19 ILE C C 19 176.276 177.689 -1.413 1 1 183 . 20 1 1 A 19 19 ILE CA C 19 66.137 65.824 0.313 1 1 184 . 20 1 1 A 19 19 ILE CB C 19 37.782 37.764 0.018 1 1 188 . 20 1 1 A 19 19 ILE N N 19 119.786 120.285 -0.499 1 1 189 . 20 1 1 A 20 20 ALA H H 20 7.782 8.139 -0.357 1 1 190 . 20 1 1 A 20 20 ALA HA H 20 3.972 4.120 -0.148 1 1 194 . 20 1 1 A 20 20 ALA C C 20 180.867 180.537 0.330 1 1 195 . 20 1 1 A 20 20 ALA CA C 20 55.170 55.054 0.116 1 1 196 . 20 1 1 A 20 20 ALA CB C 20 17.282 18.101 -0.819 1 1 197 . 20 1 1 A 20 20 ALA N N 20 121.793 121.530 0.263 1 1 198 . 20 1 1 A 21 21 THR H H 21 8.573 7.583 0.990 1 1 199 . 20 1 1 A 21 21 THR HA H 21 3.902 3.986 -0.084 1 1 204 . 20 1 1 A 21 21 THR C C 21 176.720 177.082 -0.362 1 1 205 . 20 1 1 A 21 21 THR CA C 21 65.200 66.184 -0.984 1 1 206 . 20 1 1 A 21 21 THR CB C 21 68.092 68.428 -0.336 1 1 208 . 20 1 1 A 21 21 THR N N 21 118.393 114.189 4.204 1 1 209 . 20 1 1 A 22 22 LEU H H 22 8.583 8.207 0.376 1 1 210 . 20 1 1 A 22 22 LEU HA H 22 4.065 3.952 0.113 1 1 217 . 20 1 1 A 22 22 LEU C C 22 178.284 179.076 -0.792 1 1 218 . 20 1 1 A 22 22 LEU CA C 22 57.005 57.748 -0.743 1 1 219 . 20 1 1 A 22 22 LEU CB C 22 40.209 41.699 -1.490 1 1 223 . 20 1 1 A 22 22 LEU N N 22 122.517 122.362 0.155 1 1 224 . 20 1 1 A 23 23 ARG H H 23 8.858 8.170 0.688 1 1 225 . 20 1 1 A 23 23 ARG HA H 23 3.873 4.106 -0.233 1 1 230 . 20 1 1 A 23 23 ARG C C 23 178.503 178.431 0.072 1 1 231 . 20 1 1 A 23 23 ARG CA C 23 60.362 59.490 0.872 1 1 232 . 20 1 1 A 23 23 ARG CB C 23 29.808 29.800 0.008 1 1 235 . 20 1 1 A 23 23 ARG N N 23 120.502 118.150 2.352 1 1 237 . 20 1 1 A 24 24 GLU H H 24 7.250 8.013 -0.763 1 1 238 . 20 1 1 A 24 24 GLU HA H 24 4.109 4.174 -0.065 1 1 243 . 20 1 1 A 24 24 GLU CA C 24 58.312 58.481 -0.169 1 1 244 . 20 1 1 A 24 24 GLU CB C 24 29.024 28.851 0.173 1 1 246 . 20 1 1 A 24 24 GLU N N 24 117.221 119.727 -2.506 1 1 247 . 20 1 1 A 25 25 ALA H H 25 8.223 7.795 0.428 1 1 248 . 20 1 1 A 25 25 ALA HA H 25 3.983 4.133 -0.150 1 1 252 . 20 1 1 A 25 25 ALA C C 25 180.617 179.842 0.775 1 1 253 . 20 1 1 A 25 25 ALA CA C 25 55.203 54.662 0.541 1 1 254 . 20 1 1 A 25 25 ALA CB C 25 17.657 18.548 -0.891 1 1 255 . 20 1 1 A 25 25 ALA N N 25 121.823 122.474 -0.651 1 1 256 . 20 1 1 A 26 26 ILE H H 26 8.552 7.458 1.094 1 1 257 . 20 1 1 A 26 26 ILE HA H 26 4.144 3.781 0.363 1 1 267 . 20 1 1 A 26 26 ILE C C 26 175.586 175.761 -0.175 1 1 268 . 20 1 1 A 26 26 ILE CA C 26 63.790 62.924 0.866 1 1 269 . 20 1 1 A 26 26 ILE CB C 26 37.496 38.803 -1.307 1 1 273 . 20 1 1 A 26 26 ILE N N 26 112.838 118.778 -5.940 1 1 274 . 20 1 1 A 27 27 ASP H H 27 7.175 7.428 -0.253 1 1 275 . 20 1 1 A 27 27 ASP HA H 27 4.934 4.793 0.141 1 1 278 . 20 1 1 A 27 27 ASP C C 27 175.602 174.515 1.087 1 1 279 . 20 1 1 A 27 27 ASP CA C 27 53.160 53.254 -0.094 1 1 280 . 20 1 1 A 27 27 ASP CB C 27 41.754 41.170 0.584 1 1 281 . 20 1 1 A 27 27 ASP N N 27 120.840 121.292 -0.452 1 1 282 . 20 1 1 A 28 28 LEU H H 28 7.136 7.264 -0.128 1 1 283 . 20 1 1 A 28 28 LEU HA H 28 4.510 4.392 0.118 1 1 290 . 20 1 1 A 28 28 LEU CA C 28 53.379 53.501 -0.122 1 1 291 . 20 1 1 A 28 28 LEU CB C 28 42.286 41.838 0.448 1 1 294 . 20 1 1 A 28 28 LEU N N 28 124.155 119.278 4.877 1 1 295 . 20 1 1 A 29 29 PRO HA H 29 4.552 4.528 0.024 1 1 301 . 20 1 1 A 29 29 PRO C C 29 177.414 177.106 0.308 1 1 302 . 20 1 1 A 29 29 PRO CA C 29 62.506 62.826 -0.320 1 1 303 . 20 1 1 A 29 29 PRO CB C 29 32.263 32.649 -0.386 1 1 305 . 20 1 1 A 30 30 GLN H H 30 8.935 8.591 0.344 1 1 306 . 20 1 1 A 30 30 GLN HA H 30 3.966 4.098 -0.132 1 1 311 . 20 1 1 A 30 30 GLN C C 30 175.595 176.523 -0.928 1 1 312 . 20 1 1 A 30 30 GLN CA C 30 58.036 58.234 -0.198 1 1 313 . 20 1 1 A 30 30 GLN CB C 30 28.116 28.453 -0.337 1 1 315 . 20 1 1 A 30 30 GLN N N 30 122.119 121.455 0.664 1 1 317 . 20 1 1 A 31 31 ASP H H 31 8.353 8.086 0.267 1 1 318 . 20 1 1 A 31 31 ASP HA H 31 4.682 4.616 0.066 1 1 321 . 20 1 1 A 31 31 ASP C C 31 175.518 176.659 -1.141 1 1 322 . 20 1 1 A 31 31 ASP CA C 31 52.178 53.709 -1.531 1 1 323 . 20 1 1 A 31 31 ASP CB C 31 39.270 41.248 -1.978 1 1 324 . 20 1 1 A 31 31 ASP N N 31 115.909 118.714 -2.805 1 1 325 . 20 1 1 A 32 32 ALA H H 32 7.467 7.623 -0.156 1 1 326 . 20 1 1 A 32 32 ALA HA H 32 4.564 4.807 -0.243 1 1 330 . 20 1 1 A 32 32 ALA CA C 32 50.496 49.950 0.546 1 1 331 . 20 1 1 A 32 32 ALA CB C 32 17.852 19.426 -1.574 1 1 332 . 20 1 1 A 32 32 ALA N N 32 124.893 122.224 2.669 1 1 333 . 20 1 1 A 33 33 PRO HA H 33 4.494 4.481 0.013 1 1 339 . 20 1 1 A 33 33 PRO C C 33 176.278 175.852 0.426 1 1 340 . 20 1 1 A 33 33 PRO CA C 33 63.894 62.421 1.473 1 1 341 . 20 1 1 A 33 33 PRO CB C 33 31.354 29.416 1.938 1 1 344 . 20 1 1 A 34 34 ASN H H 34 8.577 8.698 -0.121 1 1 345 . 20 1 1 A 34 34 ASN HA H 34 5.041 5.107 -0.066 1 1 350 . 20 1 1 A 34 34 ASN C C 34 174.678 175.848 -1.170 1 1 351 . 20 1 1 A 34 34 ASN CA C 34 51.792 52.032 -0.240 1 1 352 . 20 1 1 A 34 34 ASN CB C 34 36.334 38.432 -2.098 1 1 353 . 20 1 1 A 34 34 ASN N N 34 115.598 117.534 -1.936 1 1 355 . 20 1 1 A 35 35 ARG H H 35 7.401 8.565 -1.164 1 1 356 . 20 1 1 A 35 35 ARG HA H 35 3.726 4.076 -0.350 1 1 363 . 20 1 1 A 35 35 ARG C C 35 176.887 178.645 -1.758 1 1 364 . 20 1 1 A 35 35 ARG CA C 35 60.063 59.469 0.594 1 1 365 . 20 1 1 A 35 35 ARG CB C 35 29.571 30.013 -0.442 1 1 368 . 20 1 1 A 35 35 ARG N N 35 119.690 122.649 -2.959 1 1 370 . 20 1 1 A 36 36 GLN H H 36 8.780 8.089 0.691 1 1 371 . 20 1 1 A 36 36 GLN HA H 36 3.805 4.030 -0.225 1 1 377 . 20 1 1 A 36 36 GLN CA C 36 58.618 59.182 -0.564 1 1 378 . 20 1 1 A 36 36 GLN CB C 36 27.595 28.640 -1.045 1 1 380 . 20 1 1 A 36 36 GLN N N 36 119.100 119.459 -0.359 1 1 382 . 20 1 1 A 37 37 GLU H H 37 8.128 8.117 0.011 1 1 383 . 20 1 1 A 37 37 GLU HA H 37 4.137 4.034 0.103 1 1 387 . 20 1 1 A 37 37 GLU C C 37 179.222 179.380 -0.158 1 1 388 . 20 1 1 A 37 37 GLU CA C 37 59.336 59.104 0.232 1 1 389 . 20 1 1 A 37 37 GLU CB C 37 28.781 29.465 -0.684 1 1 391 . 20 1 1 A 37 37 GLU N N 37 120.485 119.628 0.857 1 1 392 . 20 1 1 A 38 38 VAL H H 38 8.127 7.791 0.336 1 1 393 . 20 1 1 A 38 38 VAL HA H 38 3.708 3.660 0.048 1 1 401 . 20 1 1 A 38 38 VAL C C 38 178.246 178.102 0.144 1 1 402 . 20 1 1 A 38 38 VAL CA C 38 66.019 66.449 -0.430 1 1 403 . 20 1 1 A 38 38 VAL CB C 38 31.008 31.643 -0.635 1 1 406 . 20 1 1 A 38 38 VAL N N 38 121.937 120.497 1.440 1 1 407 . 20 1 1 A 39 39 GLN H H 39 8.324 7.972 0.352 1 1 408 . 20 1 1 A 39 39 GLN HA H 39 3.764 3.981 -0.217 1 1 415 . 20 1 1 A 39 39 GLN C C 39 177.642 177.590 0.052 1 1 416 . 20 1 1 A 39 39 GLN CA C 39 59.019 58.709 0.310 1 1 417 . 20 1 1 A 39 39 GLN CB C 39 27.176 28.552 -1.376 1 1 419 . 20 1 1 A 39 39 GLN N N 39 120.203 119.917 0.286 1 1 421 . 20 1 1 A 40 40 ASP H H 40 8.699 8.205 0.494 1 1 422 . 20 1 1 A 40 40 ASP HA H 40 4.391 4.306 0.085 1 1 425 . 20 1 1 A 40 40 ASP C C 40 179.726 178.697 1.029 1 1 426 . 20 1 1 A 40 40 ASP CA C 40 57.267 56.958 0.309 1 1 427 . 20 1 1 A 40 40 ASP CB C 40 39.458 40.576 -1.118 1 1 428 . 20 1 1 A 40 40 ASP N N 40 121.604 119.987 1.617 1 1 429 . 20 1 1 A 41 41 THR H H 41 8.449 7.649 0.800 1 1 430 . 20 1 1 A 41 41 THR HA H 41 3.981 3.893 0.088 1 1 435 . 20 1 1 A 41 41 THR CA C 41 66.254 65.324 0.930 1 1 436 . 20 1 1 A 41 41 THR CB C 41 67.937 68.511 -0.574 1 1 437 . 20 1 1 A 41 41 THR N N 41 121.386 117.403 3.983 1 1 438 . 20 1 1 A 42 42 ALA H H 42 8.552 7.683 0.869 1 1 439 . 20 1 1 A 42 42 ALA HA H 42 3.876 4.021 -0.145 1 1 443 . 20 1 1 A 42 42 ALA C C 42 178.300 179.604 -1.304 1 1 444 . 20 1 1 A 42 42 ALA CA C 42 55.244 54.946 0.298 1 1 445 . 20 1 1 A 42 42 ALA CB C 42 17.295 18.116 -0.821 1 1 446 . 20 1 1 A 42 42 ALA N N 42 126.245 123.369 2.876 1 1 447 . 20 1 1 A 43 43 ARG H H 43 8.553 7.780 0.773 1 1 448 . 20 1 1 A 43 43 ARG HA H 43 3.923 4.068 -0.145 1 1 451 . 20 1 1 A 43 43 ARG C C 43 178.522 179.763 -1.241 1 1 452 . 20 1 1 A 43 43 ARG CA C 43 59.680 59.198 0.482 1 1 453 . 20 1 1 A 43 43 ARG CB C 43 29.887 29.883 0.004 1 1 454 . 20 1 1 A 43 43 ARG N N 43 117.705 117.638 0.067 1 1 455 . 20 1 1 A 44 44 GLY H H 44 8.049 7.989 0.060 1 1 456 . 20 1 1 A 44 44 GLY HA2 H 44 4.066 3.801 0.265 1 1 457 . 20 1 1 A 44 44 GLY HA3 H 44 3.972 3.802 0.170 1 1 458 . 20 1 1 A 44 44 GLY CA C 44 46.710 47.400 -0.690 1 1 459 . 20 1 1 A 44 44 GLY N N 44 106.443 108.345 -1.902 1 1 460 . 20 1 1 A 45 45 GLN H H 45 8.305 7.906 0.399 1 1 461 . 20 1 1 A 45 45 GLN HA H 45 4.204 4.406 -0.202 1 1 466 . 20 1 1 A 45 45 GLN C C 45 177.942 178.643 -0.701 1 1 467 . 20 1 1 A 45 45 GLN CA C 45 59.930 58.720 1.210 1 1 468 . 20 1 1 A 45 45 GLN CB C 45 28.520 28.455 0.065 1 1 470 . 20 1 1 A 45 45 GLN N N 45 123.780 120.845 2.935 1 1 472 . 20 1 1 A 46 46 ILE H H 46 8.673 8.170 0.503 1 1 473 . 20 1 1 A 46 46 ILE HA H 46 3.594 3.740 -0.146 1 1 483 . 20 1 1 A 46 46 ILE C C 46 176.649 178.352 -1.703 1 1 484 . 20 1 1 A 46 46 ILE CA C 46 66.299 65.459 0.840 1 1 485 . 20 1 1 A 46 46 ILE CB C 46 37.762 37.689 0.073 1 1 489 . 20 1 1 A 46 46 ILE N N 46 120.050 121.339 -1.289 1 1 490 . 20 1 1 A 47 47 ASN H H 47 7.866 8.484 -0.618 1 1 491 . 20 1 1 A 47 47 ASN HA H 47 4.525 4.436 0.089 1 1 495 . 20 1 1 A 47 47 ASN C C 47 176.649 177.544 -0.895 1 1 496 . 20 1 1 A 47 47 ASN CA C 47 55.703 56.636 -0.933 1 1 497 . 20 1 1 A 47 47 ASN CB C 47 37.925 37.776 0.149 1 1 498 . 20 1 1 A 47 47 ASN N N 47 116.444 119.064 -2.620 1 1 500 . 20 1 1 A 48 48 ASP H H 48 8.185 8.106 0.079 1 1 501 . 20 1 1 A 48 48 ASP HA H 48 4.460 4.403 0.057 1 1 504 . 20 1 1 A 48 48 ASP C C 48 176.285 177.813 -1.528 1 1 505 . 20 1 1 A 48 48 ASP CA C 48 56.635 57.127 -0.492 1 1 506 . 20 1 1 A 48 48 ASP CB C 48 41.593 40.140 1.453 1 1 507 . 20 1 1 A 48 48 ASP N N 48 121.725 119.072 2.653 1 1 508 . 20 1 1 A 49 49 TYR H H 49 8.756 9.308 -0.552 1 1 509 . 20 1 1 A 49 49 TYR HA H 49 3.892 4.185 -0.293 1 1 512 . 20 1 1 A 49 49 TYR C C 49 176.432 177.114 -0.682 1 1 513 . 20 1 1 A 49 49 TYR CA C 49 62.617 61.373 1.244 1 1 514 . 20 1 1 A 49 49 TYR CB C 49 39.188 38.520 0.668 1 1 515 . 20 1 1 A 49 49 TYR N N 49 121.005 121.141 -0.136 1 1 516 . 20 1 1 A 50 50 ILE H H 50 8.481 9.114 -0.633 1 1 517 . 20 1 1 A 50 50 ILE HA H 50 3.901 4.100 -0.199 1 1 527 . 20 1 1 A 50 50 ILE C C 50 177.407 176.466 0.941 1 1 528 . 20 1 1 A 50 50 ILE CA C 50 63.893 63.584 0.309 1 1 529 . 20 1 1 A 50 50 ILE CB C 50 36.668 38.036 -1.368 1 1 533 . 20 1 1 A 50 50 ILE N N 50 117.237 119.761 -2.524 1 1 534 . 20 1 1 A 51 51 SER H H 51 7.870 8.167 -0.297 1 1 535 . 20 1 1 A 51 51 SER HA H 51 4.203 4.722 -0.519 1 1 538 . 20 1 1 A 51 51 SER C C 51 177.413 174.137 3.276 1 1 539 . 20 1 1 A 51 51 SER CA C 51 61.003 57.089 3.914 1 1 540 . 20 1 1 A 51 51 SER CB C 51 62.711 63.957 -1.246 1 1 541 . 20 1 1 A 51 51 SER N N 51 113.635 115.838 -2.203 1 1 542 . 20 1 1 A 52 52 ARG H H 52 8.386 7.780 0.606 1 1 543 . 20 1 1 A 52 52 ARG HA H 52 3.816 4.506 -0.690 1 1 551 . 20 1 1 A 52 52 ARG C C 52 178.788 174.917 3.871 1 1 552 . 20 1 1 A 52 52 ARG CA C 52 58.343 57.368 0.975 1 1 553 . 20 1 1 A 52 52 ARG CB C 52 30.053 32.760 -2.707 1 1 556 . 20 1 1 A 52 52 ARG N N 52 120.787 121.950 -1.163 1 1 558 . 20 1 1 A 53 53 TYR H H 53 7.428 7.719 -0.291 1 1 559 . 20 1 1 A 53 53 TYR HA H 53 4.667 4.622 0.045 1 1 562 . 20 1 1 A 53 53 TYR C C 53 174.743 175.296 -0.553 1 1 563 . 20 1 1 A 53 53 TYR CA C 53 57.922 56.158 1.764 1 1 564 . 20 1 1 A 53 53 TYR CB C 53 38.030 38.059 -0.029 1 1 565 . 20 1 1 A 53 53 TYR N N 53 115.269 119.136 -3.867 1 1 566 . 20 1 1 A 54 54 ARG H H 54 7.775 7.918 -0.143 1 1 567 . 20 1 1 A 54 54 ARG HA H 54 4.249 4.416 -0.167 1 1 570 . 20 1 1 A 54 54 ARG C C 54 177.121 175.916 1.205 1 1 571 . 20 1 1 A 54 54 ARG CA C 54 58.720 57.089 1.631 1 1 572 . 20 1 1 A 54 54 ARG CB C 54 29.345 31.498 -2.153 1 1 573 . 20 1 1 A 54 54 ARG N N 54 120.518 123.312 -2.794 1 1 574 . 20 1 1 A 55 55 ARG H H 55 8.319 7.519 0.800 1 1 575 . 20 1 1 A 55 55 ARG HA H 55 4.249 4.539 -0.290 1 1 577 . 20 1 1 A 55 55 ARG C C 55 177.395 173.503 3.892 1 1 578 . 20 1 1 A 55 55 ARG CA C 55 56.766 53.930 2.836 1 1 579 . 20 1 1 A 55 55 ARG CB C 55 29.231 34.498 -5.267 1 1 580 . 20 1 1 A 55 55 ARG N N 55 119.094 118.504 0.590 1 1 581 . 20 1 1 A 56 56 LYS H H 56 8.062 8.184 -0.122 1 1 582 . 20 1 1 A 56 56 LYS HA H 56 4.069 4.608 -0.539 1 1 588 . 20 1 1 A 56 56 LYS C C 56 177.177 176.696 0.481 1 1 589 . 20 1 1 A 56 56 LYS CA C 56 56.740 55.159 1.581 1 1 590 . 20 1 1 A 56 56 LYS CB C 56 31.291 32.852 -1.561 1 1 594 . 20 1 1 A 56 56 LYS N N 56 121.271 119.873 1.398 1 1 595 . 20 1 1 A 57 57 GLY H H 57 8.138 7.991 0.147 1 1 596 . 20 1 1 A 57 57 GLY HA2 H 57 4.055 3.957 0.098 1 1 597 . 20 1 1 A 57 57 GLY HA3 H 57 3.766 3.977 -0.211 1 1 598 . 20 1 1 A 57 57 GLY C C 57 174.196 174.303 -0.107 1 1 599 . 20 1 1 A 57 57 GLY CA C 57 45.336 44.977 0.359 1 1 600 . 20 1 1 A 57 57 GLY N N 57 108.747 109.037 -0.290 1 1 601 . 20 1 1 A 58 58 ASP H H 58 7.937 8.484 -0.547 1 1 602 . 20 1 1 A 58 58 ASP HA H 58 4.571 4.278 0.293 1 1 604 . 20 1 1 A 58 58 ASP CA C 58 54.548 54.674 -0.126 1 1 605 . 20 1 1 A 58 58 ASP CB C 58 40.254 39.292 0.962 1 1 606 . 20 1 1 A 58 58 ASP N N 58 121.456 120.154 1.302 1 1 607 . 20 1 1 A 59 59 ALA H H 59 8.150 8.008 0.142 1 1 608 . 20 1 1 A 59 59 ALA HA H 59 4.178 4.119 0.059 1 1 612 . 20 1 1 A 59 59 ALA C C 59 177.927 178.755 -0.828 1 1 613 . 20 1 1 A 59 59 ALA CA C 59 52.751 54.954 -2.203 1 1 614 . 20 1 1 A 59 59 ALA CB C 59 18.062 19.207 -1.145 1 1 615 . 20 1 1 A 59 59 ALA N N 59 123.316 128.348 -5.032 1 1 616 . 20 1 1 A 60 60 GLY H H 60 8.190 7.641 0.549 1 1 617 . 20 1 1 A 60 60 GLY HA2 H 60 3.954 4.060 -0.106 1 1 618 . 20 1 1 A 60 60 GLY HA3 H 60 3.962 4.066 -0.104 1 1 619 . 20 1 1 A 60 60 GLY C C 60 174.572 174.762 -0.190 1 1 620 . 20 1 1 A 60 60 GLY CA C 60 45.301 45.426 -0.125 1 1 621 . 20 1 1 A 60 60 GLY N N 60 107.588 103.900 3.688 1 1 622 . 20 1 1 A 61 61 GLY H H 61 8.014 7.685 0.329 1 1 623 . 20 1 1 A 61 61 GLY HA2 H 61 4.068 4.009 0.059 1 1 624 . 20 1 1 A 61 61 GLY HA3 H 61 3.882 4.063 -0.181 1 1 625 . 20 1 1 A 61 61 GLY C C 61 173.560 173.744 -0.184 1 1 626 . 20 1 1 A 61 61 GLY CA C 61 44.784 45.841 -1.057 1 1 627 . 20 1 1 A 61 61 GLY N N 61 108.839 109.422 -0.583 1 1 628 . 20 1 1 A 62 62 LEU H H 62 8.038 8.321 -0.283 1 1 629 . 20 1 1 A 62 62 LEU HA H 62 4.528 4.709 -0.181 1 1 636 . 20 1 1 A 62 62 LEU C C 62 177.058 177.883 -0.825 1 1 637 . 20 1 1 A 62 62 LEU CA C 62 54.038 52.974 1.064 1 1 638 . 20 1 1 A 62 62 LEU CB C 62 42.254 44.057 -1.803 1 1 641 . 20 1 1 A 62 62 LEU N N 62 122.191 122.098 0.093 1 1 642 . 20 1 1 A 63 63 LYS H H 63 9.378 8.763 0.615 1 1 643 . 20 1 1 A 63 63 LYS HA H 63 4.223 4.240 -0.017 1 1 647 . 20 1 1 A 63 63 LYS C C 63 179.928 179.160 0.768 1 1 648 . 20 1 1 A 63 63 LYS CA C 63 58.665 57.928 0.737 1 1 649 . 20 1 1 A 63 63 LYS CB C 63 31.663 33.300 -1.637 1 1 651 . 20 1 1 A 63 63 LYS N N 63 129.582 119.074 10.508 1 1 652 . 20 1 1 A 64 64 SER H H 64 10.250 8.142 2.108 1 1 653 . 20 1 1 A 64 64 SER HA H 64 4.169 4.404 -0.235 1 1 656 . 20 1 1 A 64 64 SER C C 64 175.569 176.735 -1.166 1 1 657 . 20 1 1 A 64 64 SER CA C 64 61.010 62.078 -1.068 1 1 658 . 20 1 1 A 64 64 SER N N 64 117.647 116.134 1.513 1 1 659 . 20 1 1 A 65 65 PHE H H 65 7.035 7.909 -0.874 1 1 660 . 20 1 1 A 65 65 PHE HA H 65 4.444 4.161 0.283 1 1 663 . 20 1 1 A 65 65 PHE C C 65 176.884 176.815 0.069 1 1 664 . 20 1 1 A 65 65 PHE CA C 65 61.911 61.115 0.796 1 1 665 . 20 1 1 A 65 65 PHE CB C 65 38.861 38.493 0.368 1 1 666 . 20 1 1 A 65 65 PHE N N 65 123.056 122.479 0.577 1 1 667 . 20 1 1 A 66 66 THR H H 66 8.475 7.546 0.929 1 1 668 . 20 1 1 A 66 66 THR HA H 66 3.932 2.941 0.991 1 1 673 . 20 1 1 A 66 66 THR C C 66 176.884 176.527 0.357 1 1 674 . 20 1 1 A 66 66 THR CA C 66 66.236 65.337 0.899 1 1 675 . 20 1 1 A 66 66 THR CB C 66 67.993 67.816 0.177 1 1 677 . 20 1 1 A 66 66 THR N N 66 115.996 113.661 2.335 1 1 678 . 20 1 1 A 67 67 THR H H 67 8.100 7.758 0.342 1 1 679 . 20 1 1 A 67 67 THR HA H 67 3.979 3.827 0.152 1 1 684 . 20 1 1 A 67 67 THR CA C 67 66.516 66.480 0.036 1 1 685 . 20 1 1 A 67 67 THR CB C 67 68.188 68.132 0.056 1 1 687 . 20 1 1 A 67 67 THR N N 67 120.365 117.266 3.099 1 1 688 . 20 1 1 A 68 68 MET H H 68 8.134 7.786 0.348 1 1 689 . 20 1 1 A 68 68 MET HA H 68 4.429 3.922 0.507 1 1 697 . 20 1 1 A 68 68 MET C C 68 177.682 178.113 -0.431 1 1 698 . 20 1 1 A 68 68 MET CA C 68 56.239 59.003 -2.764 1 1 699 . 20 1 1 A 68 68 MET CB C 68 30.516 32.335 -1.819 1 1 702 . 20 1 1 A 68 68 MET N N 68 120.545 118.840 1.705 1 1 703 . 20 1 1 A 69 69 GLN H H 69 9.139 7.770 1.369 1 1 704 . 20 1 1 A 69 69 GLN HA H 69 3.694 4.063 -0.369 1 1 711 . 20 1 1 A 69 69 GLN C C 69 177.433 178.703 -1.270 1 1 712 . 20 1 1 A 69 69 GLN CA C 69 59.779 58.857 0.922 1 1 713 . 20 1 1 A 69 69 GLN CB C 69 28.547 28.250 0.297 1 1 715 . 20 1 1 A 69 69 GLN N N 69 120.358 119.337 1.021 1 1 717 . 20 1 1 A 70 70 THR H H 70 7.809 7.699 0.110 1 1 718 . 20 1 1 A 70 70 THR HA H 70 3.979 3.890 0.089 1 1 723 . 20 1 1 A 70 70 THR C C 70 176.394 176.151 0.243 1 1 724 . 20 1 1 A 70 70 THR CA C 70 66.028 66.622 -0.594 1 1 725 . 20 1 1 A 70 70 THR CB C 70 68.198 68.826 -0.628 1 1 727 . 20 1 1 A 70 70 THR N N 70 116.198 115.700 0.498 1 1 728 . 20 1 1 A 71 71 ALA H H 71 7.859 8.723 -0.864 1 1 729 . 20 1 1 A 71 71 ALA HA H 71 3.994 4.194 -0.200 1 1 733 . 20 1 1 A 71 71 ALA CA C 71 54.902 55.041 -0.139 1 1 734 . 20 1 1 A 71 71 ALA CB C 71 17.926 17.980 -0.054 1 1 735 . 20 1 1 A 71 71 ALA N N 71 126.667 124.173 2.494 1 1 736 . 20 1 1 A 72 72 LEU H H 72 9.261 7.863 1.398 1 1 737 . 20 1 1 A 72 72 LEU HA H 72 3.915 4.074 -0.159 1 1 743 . 20 1 1 A 72 72 LEU C C 72 179.219 178.458 0.761 1 1 744 . 20 1 1 A 72 72 LEU CA C 72 58.406 58.279 0.127 1 1 745 . 20 1 1 A 72 72 LEU CB C 72 38.744 41.745 -3.001 1 1 747 . 20 1 1 A 72 72 LEU N N 72 119.657 120.433 -0.776 1 1 748 . 20 1 1 A 73 73 ASN H H 73 8.542 7.902 0.640 1 1 749 . 20 1 1 A 73 73 ASN HA H 73 4.606 4.413 0.193 1 1 754 . 20 1 1 A 73 73 ASN CA C 73 55.711 56.861 -1.150 1 1 755 . 20 1 1 A 73 73 ASN CB C 73 37.398 38.596 -1.198 1 1 756 . 20 1 1 A 73 73 ASN N N 73 118.851 117.697 1.154 1 1 758 . 20 1 1 A 74 74 SER H H 74 7.849 8.281 -0.432 1 1 759 . 20 1 1 A 74 74 SER HA H 74 4.379 4.199 0.180 1 1 762 . 20 1 1 A 74 74 SER C C 74 175.881 176.593 -0.712 1 1 763 . 20 1 1 A 74 74 SER CA C 74 61.405 61.310 0.095 1 1 764 . 20 1 1 A 74 74 SER N N 74 118.042 115.666 2.376 1 1 765 . 20 1 1 A 75 75 LEU H H 75 8.084 9.053 -0.969 1 1 766 . 20 1 1 A 75 75 LEU HA H 75 4.181 4.077 0.104 1 1 773 . 20 1 1 A 75 75 LEU C C 75 176.899 179.045 -2.146 1 1 774 . 20 1 1 A 75 75 LEU CA C 75 56.746 57.874 -1.128 1 1 775 . 20 1 1 A 75 75 LEU CB C 75 41.896 41.444 0.452 1 1 777 . 20 1 1 A 75 75 LEU N N 75 124.099 118.790 5.309 1 1 778 . 20 1 1 A 76 76 ALA H H 76 8.695 8.003 0.692 1 1 779 . 20 1 1 A 76 76 ALA HA H 76 4.134 4.253 -0.119 1 1 783 . 20 1 1 A 76 76 ALA C C 76 180.159 179.975 0.184 1 1 784 . 20 1 1 A 76 76 ALA CA C 76 55.315 55.088 0.227 1 1 785 . 20 1 1 A 76 76 ALA CB C 76 17.624 18.383 -0.759 1 1 786 . 20 1 1 A 76 76 ALA N N 76 121.934 122.537 -0.603 1 1 787 . 20 1 1 A 77 77 GLY H H 77 8.198 8.665 -0.467 1 1 788 . 20 1 1 A 77 77 GLY HA2 H 77 3.917 3.537 0.380 1 1 789 . 20 1 1 A 77 77 GLY HA3 H 77 3.925 3.564 0.361 1 1 790 . 20 1 1 A 77 77 GLY C C 77 175.177 175.558 -0.381 1 1 791 . 20 1 1 A 77 77 GLY CA C 77 46.066 47.298 -1.232 1 1 792 . 20 1 1 A 77 77 GLY N N 77 105.613 106.251 -0.638 1 1 793 . 20 1 1 A 78 78 TYR H H 78 7.973 7.725 0.248 1 1 794 . 20 1 1 A 78 78 TYR HA H 78 4.326 4.235 0.091 1 1 797 . 20 1 1 A 78 78 TYR C C 78 176.705 177.488 -0.783 1 1 798 . 20 1 1 A 78 78 TYR CA C 78 61.280 60.768 0.512 1 1 799 . 20 1 1 A 78 78 TYR CB C 78 37.737 37.919 -0.182 1 1 800 . 20 1 1 A 78 78 TYR N N 78 123.680 122.885 0.795 1 1 801 . 20 1 1 A 79 79 TYR H H 79 8.347 7.969 0.378 1 1 802 . 20 1 1 A 79 79 TYR HA H 79 4.750 3.867 0.883 1 1 805 . 20 1 1 A 79 79 TYR C C 79 178.135 177.855 0.280 1 1 806 . 20 1 1 A 79 79 TYR CA C 79 57.389 60.927 -3.538 1 1 807 . 20 1 1 A 79 79 TYR CB C 79 36.796 39.186 -2.390 1 1 808 . 20 1 1 A 79 79 TYR N N 79 119.870 119.806 0.064 1 1 809 . 20 1 1 A 80 80 THR H H 80 8.180 7.855 0.325 1 1 810 . 20 1 1 A 80 80 THR HA H 80 4.208 3.695 0.513 1 1 815 . 20 1 1 A 80 80 THR C C 80 175.302 175.016 0.286 1 1 816 . 20 1 1 A 80 80 THR CA C 80 64.276 62.258 2.018 1 1 817 . 20 1 1 A 80 80 THR CB C 80 69.098 68.170 0.928 1 1 819 . 20 1 1 A 80 80 THR N N 80 114.967 114.160 0.807 1 1 820 . 20 1 1 A 81 81 SER H H 81 8.027 7.802 0.225 1 1 821 . 20 1 1 A 81 81 SER HA H 81 4.214 4.649 -0.435 1 1 824 . 20 1 1 A 81 81 SER C C 81 174.305 175.074 -0.769 1 1 825 . 20 1 1 A 81 81 SER CA C 81 60.578 58.625 1.953 1 1 826 . 20 1 1 A 81 81 SER CB C 81 63.385 63.987 -0.602 1 1 827 . 20 1 1 A 81 81 SER N N 81 116.664 117.625 -0.961 1 1 828 . 20 1 1 A 82 82 TYR H H 82 8.396 8.172 0.224 1 1 829 . 20 1 1 A 82 82 TYR HA H 82 4.612 4.651 -0.039 1 1 832 . 20 1 1 A 82 82 TYR C C 82 176.069 176.084 -0.015 1 1 833 . 20 1 1 A 82 82 TYR CA C 82 57.676 58.706 -1.030 1 1 834 . 20 1 1 A 82 82 TYR CB C 82 38.160 41.041 -2.881 1 1 835 . 20 1 1 A 82 82 TYR N N 82 119.325 117.148 2.177 1 1 836 . 20 1 1 A 83 83 GLY H H 83 7.982 8.038 -0.056 1 1 837 . 20 1 1 A 83 83 GLY HA2 H 83 4.021 4.012 0.009 1 1 838 . 20 1 1 A 83 83 GLY HA3 H 83 3.877 4.063 -0.186 1 1 839 . 20 1 1 A 83 83 GLY C C 83 178.820 174.748 4.072 1 1 840 . 20 1 1 A 83 83 GLY CA C 83 46.170 44.662 1.508 1 1 841 . 20 1 1 A 83 83 GLY N N 83 111.287 108.118 3.169 1 1 842 . 20 1 1 A 84 84 ALA H H 84 8.505 8.928 -0.423 1 1 843 . 20 1 1 A 84 84 ALA HA H 84 4.619 3.958 0.661 1 1 847 . 20 1 1 A 84 84 ALA C C 84 176.933 176.178 0.755 1 1 848 . 20 1 1 A 84 84 ALA CA C 84 51.514 52.865 -1.351 1 1 849 . 20 1 1 A 84 84 ALA CB C 84 18.109 17.790 0.319 1 1 850 . 20 1 1 A 84 84 ALA N N 84 126.408 122.974 3.434 1 1 851 . 20 1 1 A 85 85 ARG H H 85 8.057 7.862 0.195 1 1 852 . 20 1 1 A 85 85 ARG HA H 85 4.696 4.791 -0.095 1 1 854 . 20 1 1 A 85 85 ARG CA C 85 53.887 52.943 0.944 1 1 855 . 20 1 1 A 85 85 ARG CB C 85 30.500 33.168 -2.668 1 1 856 . 20 1 1 A 85 85 ARG N N 85 123.060 115.668 7.392 1 1 857 . 20 1 1 A 86 86 PRO HA H 86 4.426 4.494 -0.068 1 1 862 . 20 1 1 A 86 86 PRO CA C 86 62.541 62.960 -0.419 1 1 863 . 20 1 1 A 86 86 PRO CB C 86 31.477 32.562 -1.085 1 1 864 . 20 1 1 A 87 87 ILE H H 87 8.449 8.361 0.088 1 1 865 . 20 1 1 A 87 87 ILE HA H 87 3.821 4.536 -0.715 1 1 875 . 20 1 1 A 87 87 ILE CA C 87 58.300 59.113 -0.813 1 1 876 . 20 1 1 A 87 87 ILE CB C 87 37.630 38.610 -0.980 1 1 880 . 20 1 1 A 87 87 ILE N N 87 125.558 122.271 3.287 1 1 881 . 20 1 1 A 88 88 PRO HA H 88 4.425 4.519 -0.094 1 1 884 . 20 1 1 A 88 88 PRO C C 88 177.001 177.752 -0.751 1 1 885 . 20 1 1 A 88 88 PRO CA C 88 62.298 63.097 -0.799 1 1 886 . 20 1 1 A 88 88 PRO CB C 88 32.070 32.638 -0.568 1 1 887 . 20 1 1 A 89 89 GLU H H 89 8.861 8.650 0.211 1 1 888 . 20 1 1 A 89 89 GLU HA H 89 3.871 3.950 -0.079 1 1 891 . 20 1 1 A 89 89 GLU C C 89 177.756 178.473 -0.717 1 1 892 . 20 1 1 A 89 89 GLU CA C 89 59.711 60.013 -0.302 1 1 893 . 20 1 1 A 89 89 GLU CB C 89 29.119 29.404 -0.285 1 1 894 . 20 1 1 A 89 89 GLU N N 89 125.518 122.444 3.074 1 1 895 . 20 1 1 A 90 90 LYS H H 90 8.827 7.900 0.927 1 1 896 . 20 1 1 A 90 90 LYS HA H 90 3.969 4.023 -0.054 1 1 899 . 20 1 1 A 90 90 LYS C C 90 178.672 179.332 -0.660 1 1 900 . 20 1 1 A 90 90 LYS CA C 90 59.423 59.373 0.050 1 1 901 . 20 1 1 A 90 90 LYS CB C 90 31.820 32.242 -0.422 1 1 902 . 20 1 1 A 90 90 LYS N N 90 117.281 119.782 -2.501 1 1 903 . 20 1 1 A 91 91 LEU H H 91 6.857 7.950 -1.093 1 1 904 . 20 1 1 A 91 91 LEU HA H 91 4.212 4.061 0.151 1 1 911 . 20 1 1 A 91 91 LEU CA C 91 56.390 57.918 -1.528 1 1 912 . 20 1 1 A 91 91 LEU CB C 91 40.627 41.185 -0.558 1 1 915 . 20 1 1 A 91 91 LEU N N 91 120.818 120.034 0.784 1 1 916 . 20 1 1 A 92 92 LYS H H 92 8.156 8.733 -0.577 1 1 917 . 20 1 1 A 92 92 LYS HA H 92 3.558 3.869 -0.311 1 1 925 . 20 1 1 A 92 92 LYS C C 92 177.480 178.734 -1.254 1 1 926 . 20 1 1 A 92 92 LYS CA C 92 60.613 59.852 0.761 1 1 927 . 20 1 1 A 92 92 LYS CB C 92 31.812 32.642 -0.830 1 1 931 . 20 1 1 A 92 92 LYS N N 92 120.663 119.623 1.040 1 1 932 . 20 1 1 A 93 93 LYS H H 93 8.156 9.034 -0.878 1 1 933 . 20 1 1 A 93 93 LYS HA H 93 4.032 3.954 0.078 1 1 936 . 20 1 1 A 93 93 LYS C C 93 178.757 178.967 -0.210 1 1 937 . 20 1 1 A 93 93 LYS CA C 93 58.546 59.655 -1.109 1 1 938 . 20 1 1 A 93 93 LYS CB C 93 31.726 32.502 -0.776 1 1 939 . 20 1 1 A 93 93 LYS N N 93 116.478 119.114 -2.636 1 1 940 . 20 1 1 A 94 94 ARG H H 94 7.287 8.358 -1.071 1 1 941 . 20 1 1 A 94 94 ARG HA H 94 4.032 4.088 -0.056 1 1 948 . 20 1 1 A 94 94 ARG C C 94 177.872 178.819 -0.947 1 1 949 . 20 1 1 A 94 94 ARG CA C 94 58.639 59.255 -0.616 1 1 950 . 20 1 1 A 94 94 ARG CB C 94 29.490 30.172 -0.682 1 1 953 . 20 1 1 A 94 94 ARG N N 94 120.980 118.841 2.139 1 1 955 . 20 1 1 A 95 95 LEU H H 95 8.365 9.545 -1.180 1 1 956 . 20 1 1 A 95 95 LEU HA H 95 3.597 3.974 -0.377 1 1 960 . 20 1 1 A 95 95 LEU C C 95 177.342 179.925 -2.583 1 1 961 . 20 1 1 A 95 95 LEU CA C 95 57.009 58.098 -1.089 1 1 962 . 20 1 1 A 95 95 LEU CB C 95 40.718 41.562 -0.844 1 1 964 . 20 1 1 A 95 95 LEU N N 95 119.611 119.890 -0.279 1 1 965 . 20 1 1 A 96 96 GLN H H 96 8.126 9.222 -1.096 1 1 966 . 20 1 1 A 96 96 GLN HA H 96 4.033 4.263 -0.230 1 1 972 . 20 1 1 A 96 96 GLN C C 96 179.502 177.990 1.512 1 1 973 . 20 1 1 A 96 96 GLN CA C 96 58.743 59.025 -0.282 1 1 974 . 20 1 1 A 96 96 GLN CB C 96 27.315 28.768 -1.453 1 1 976 . 20 1 1 A 96 96 GLN N N 96 115.986 119.385 -3.399 1 1 978 . 20 1 1 A 97 97 LEU H H 97 7.574 9.339 -1.765 1 1 979 . 20 1 1 A 97 97 LEU HA H 97 4.176 4.080 0.096 1 1 983 . 20 1 1 A 97 97 LEU CA C 97 57.816 57.536 0.280 1 1 984 . 20 1 1 A 97 97 LEU CB C 97 41.107 41.788 -0.681 1 1 985 . 20 1 1 A 97 97 LEU N N 97 121.721 120.917 0.804 1 1 986 . 20 1 1 A 98 98 GLU H H 98 8.180 9.120 -0.940 1 1 987 . 20 1 1 A 98 98 GLU HA H 98 3.970 3.939 0.031 1 1 989 . 20 1 1 A 98 98 GLU C C 98 178.852 179.095 -0.243 1 1 990 . 20 1 1 A 98 98 GLU CA C 98 59.074 59.545 -0.471 1 1 991 . 20 1 1 A 98 98 GLU CB C 98 28.376 29.281 -0.905 1 1 992 . 20 1 1 A 98 98 GLU N N 98 122.418 119.022 3.396 1 1 993 . 20 1 1 A 99 99 PHE H H 99 8.995 9.474 -0.479 1 1 994 . 20 1 1 A 99 99 PHE HA H 99 4.560 4.093 0.467 1 1 997 . 20 1 1 A 99 99 PHE C C 99 178.050 177.686 0.364 1 1 998 . 20 1 1 A 99 99 PHE CA C 99 57.595 61.058 -3.463 1 1 999 . 20 1 1 A 99 99 PHE CB C 99 36.788 39.142 -2.354 1 1 1000 . 20 1 1 A 99 99 PHE N N 99 118.943 120.714 -1.771 1 1 1001 . 20 1 1 A 100 100 THR H H 100 7.985 9.937 -1.952 1 1 1002 . 20 1 1 A 100 100 THR HA H 100 4.097 3.216 0.881 1 1 1007 . 20 1 1 A 100 100 THR CA C 100 66.567 64.900 1.667 1 1 1008 . 20 1 1 A 100 100 THR CB C 100 68.200 68.387 -0.187 1 1 1010 . 20 1 1 A 100 100 THR N N 100 117.633 113.629 4.004 1 1 1011 . 20 1 1 A 101 101 GLN H H 101 8.160 8.624 -0.464 1 1 1012 . 20 1 1 A 101 101 GLN HA H 101 4.017 4.039 -0.022 1 1 1018 . 20 1 1 A 101 101 GLN C C 101 179.034 177.662 1.372 1 1 1019 . 20 1 1 A 101 101 GLN CA C 101 58.649 58.373 0.276 1 1 1020 . 20 1 1 A 101 101 GLN CB C 101 27.541 28.108 -0.567 1 1 1022 . 20 1 1 A 101 101 GLN N N 101 122.138 119.675 2.463 1 1 1024 . 20 1 1 A 102 102 ALA H H 102 8.768 8.860 -0.092 1 1 1025 . 20 1 1 A 102 102 ALA HA H 102 4.036 4.206 -0.170 1 1 1029 . 20 1 1 A 102 102 ALA C C 102 178.466 178.815 -0.349 1 1 1030 . 20 1 1 A 102 102 ALA CA C 102 55.525 54.938 0.587 1 1 1031 . 20 1 1 A 102 102 ALA CB C 102 18.046 19.198 -1.152 1 1 1032 . 20 1 1 A 102 102 ALA N N 102 124.541 122.833 1.708 1 1 1033 . 20 1 1 A 103 103 GLU H H 103 8.552 9.191 -0.639 1 1 1034 . 20 1 1 A 103 103 GLU HA H 103 3.680 3.944 -0.264 1 1 1039 . 20 1 1 A 103 103 GLU C C 103 178.447 178.354 0.093 1 1 1040 . 20 1 1 A 103 103 GLU CA C 103 59.802 59.263 0.539 1 1 1041 . 20 1 1 A 103 103 GLU CB C 103 29.672 29.271 0.401 1 1 1043 . 20 1 1 A 103 103 GLU N N 103 120.048 118.360 1.688 1 1 1044 . 20 1 1 A 104 104 ARG H H 104 8.242 7.699 0.543 1 1 1045 . 20 1 1 A 104 104 ARG HA H 104 4.214 3.926 0.288 1 1 1048 . 20 1 1 A 104 104 ARG C C 104 178.958 178.458 0.500 1 1 1049 . 20 1 1 A 104 104 ARG CA C 104 58.135 59.156 -1.021 1 1 1050 . 20 1 1 A 104 104 ARG CB C 104 29.742 29.632 0.110 1 1 1051 . 20 1 1 A 104 104 ARG N N 104 119.448 120.038 -0.590 1 1 1052 . 20 1 1 A 105 105 SER H H 105 8.087 7.948 0.139 1 1 1053 . 20 1 1 A 105 105 SER HA H 105 4.290 4.147 0.143 1 1 1056 . 20 1 1 A 105 105 SER CA C 105 61.917 61.467 0.450 1 1 1057 . 20 1 1 A 105 105 SER N N 105 117.329 114.684 2.645 1 1 1058 . 20 1 1 A 106 106 ILE H H 106 8.403 7.622 0.781 1 1 1059 . 20 1 1 A 106 106 ILE HA H 106 4.113 3.556 0.557 1 1 1069 . 20 1 1 A 106 106 ILE CA C 106 61.487 65.492 -4.005 1 1 1070 . 20 1 1 A 106 106 ILE CB C 106 35.600 37.643 -2.043 1 1 1074 . 20 1 1 A 106 106 ILE N N 106 124.394 122.492 1.902 1 1 1075 . 20 1 1 A 107 107 GLU H H 107 8.187 8.067 0.120 1 1 1076 . 20 1 1 A 107 107 GLU HA H 107 4.126 4.115 0.011 1 1 1079 . 20 1 1 A 107 107 GLU C C 107 177.494 178.357 -0.863 1 1 1080 . 20 1 1 A 107 107 GLU CA C 107 58.849 58.884 -0.035 1 1 1081 . 20 1 1 A 107 107 GLU CB C 107 29.052 29.504 -0.452 1 1 1082 . 20 1 1 A 107 107 GLU N N 107 123.223 120.216 3.007 1 1 1083 . 20 1 1 A 108 108 ARG H H 108 7.651 7.499 0.152 1 1 1084 . 20 1 1 A 108 108 ARG HA H 108 4.431 4.340 0.091 1 1 1090 . 20 1 1 A 108 108 ARG C C 108 175.927 176.677 -0.750 1 1 1091 . 20 1 1 A 108 108 ARG CA C 108 55.584 55.809 -0.225 1 1 1092 . 20 1 1 A 108 108 ARG CB C 108 30.806 30.909 -0.103 1 1 1094 . 20 1 1 A 108 108 ARG N N 108 117.394 116.788 0.606 1 1 1095 . 20 1 1 A 109 109 GLY H H 109 8.190 8.177 0.013 1 1 1096 . 20 1 1 A 109 109 GLY HA2 H 109 4.141 3.896 0.245 1 1 1097 . 20 1 1 A 109 109 GLY HA3 H 109 4.060 3.898 0.162 1 1 1098 . 20 1 1 A 109 109 GLY C C 109 174.031 175.103 -1.072 1 1 1099 . 20 1 1 A 109 109 GLY CA C 109 45.823 46.998 -1.175 1 1 1100 . 20 1 1 A 109 109 GLY N N 109 110.712 108.548 2.164 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 90 1.419 1 2 1 1 1 "RMS(OBS, PRED)" CA 108 1.298 1 3 1 1 1 "RMS(OBS, PRED)" CB 95 1.203 1 4 1 1 1 "RMS(OBS, PRED)" H 104 0.784 1 5 1 1 1 "RMS(OBS, PRED)" HA 118 0.320 1 6 1 1 1 "RMS(OBS, PRED)" N 104 3.076 1 7 1 2 1 "RMS(OBS, PRED)" C 90 1.429 1 8 1 2 1 "RMS(OBS, PRED)" CA 108 1.333 1 9 1 2 1 "RMS(OBS, PRED)" CB 95 1.306 1 10 1 2 1 "RMS(OBS, PRED)" H 104 0.724 1 11 1 2 1 "RMS(OBS, PRED)" HA 118 0.309 1 12 1 2 1 "RMS(OBS, PRED)" N 104 2.884 1 13 1 3 1 "RMS(OBS, PRED)" C 90 1.348 1 14 1 3 1 "RMS(OBS, PRED)" CA 108 1.344 1 15 1 3 1 "RMS(OBS, PRED)" CB 95 1.358 1 16 1 3 1 "RMS(OBS, PRED)" H 104 0.795 1 17 1 3 1 "RMS(OBS, PRED)" HA 118 0.312 1 18 1 3 1 "RMS(OBS, PRED)" N 104 3.056 1 19 1 4 1 "RMS(OBS, PRED)" C 90 1.360 1 20 1 4 1 "RMS(OBS, PRED)" CA 108 1.451 1 21 1 4 1 "RMS(OBS, PRED)" CB 95 1.173 1 22 1 4 1 "RMS(OBS, PRED)" H 104 0.768 1 23 1 4 1 "RMS(OBS, PRED)" HA 118 0.335 1 24 1 4 1 "RMS(OBS, PRED)" N 104 2.864 1 25 1 5 1 "RMS(OBS, PRED)" C 90 1.374 1 26 1 5 1 "RMS(OBS, PRED)" CA 108 1.259 1 27 1 5 1 "RMS(OBS, PRED)" CB 95 1.178 1 28 1 5 1 "RMS(OBS, PRED)" H 104 0.731 1 29 1 5 1 "RMS(OBS, PRED)" HA 118 0.298 1 30 1 5 1 "RMS(OBS, PRED)" N 104 3.088 1 31 1 6 1 "RMS(OBS, PRED)" C 90 1.344 1 32 1 6 1 "RMS(OBS, PRED)" CA 108 1.499 1 33 1 6 1 "RMS(OBS, PRED)" CB 95 1.323 1 34 1 6 1 "RMS(OBS, PRED)" H 104 0.663 1 35 1 6 1 "RMS(OBS, PRED)" HA 118 0.350 1 36 1 6 1 "RMS(OBS, PRED)" N 104 2.971 1 37 1 7 1 "RMS(OBS, PRED)" C 90 1.348 1 38 1 7 1 "RMS(OBS, PRED)" CA 108 1.393 1 39 1 7 1 "RMS(OBS, PRED)" CB 95 1.288 1 40 1 7 1 "RMS(OBS, PRED)" H 104 0.798 1 41 1 7 1 "RMS(OBS, PRED)" HA 118 0.313 1 42 1 7 1 "RMS(OBS, PRED)" N 104 3.013 1 43 1 8 1 "RMS(OBS, PRED)" C 90 1.325 1 44 1 8 1 "RMS(OBS, PRED)" CA 108 1.411 1 45 1 8 1 "RMS(OBS, PRED)" CB 95 1.277 1 46 1 8 1 "RMS(OBS, PRED)" H 104 0.764 1 47 1 8 1 "RMS(OBS, PRED)" HA 118 0.332 1 48 1 8 1 "RMS(OBS, PRED)" N 104 2.899 1 49 1 9 1 "RMS(OBS, PRED)" C 90 1.368 1 50 1 9 1 "RMS(OBS, PRED)" CA 108 1.234 1 51 1 9 1 "RMS(OBS, PRED)" CB 95 1.279 1 52 1 9 1 "RMS(OBS, PRED)" H 104 0.749 1 53 1 9 1 "RMS(OBS, PRED)" HA 118 0.297 1 54 1 9 1 "RMS(OBS, PRED)" N 104 2.721 1 55 1 10 1 "RMS(OBS, PRED)" C 90 1.342 1 56 1 10 1 "RMS(OBS, PRED)" CA 108 1.313 1 57 1 10 1 "RMS(OBS, PRED)" CB 95 1.207 1 58 1 10 1 "RMS(OBS, PRED)" H 104 0.788 1 59 1 10 1 "RMS(OBS, PRED)" HA 118 0.324 1 60 1 10 1 "RMS(OBS, PRED)" N 104 2.966 1 61 1 11 1 "RMS(OBS, PRED)" C 90 1.363 1 62 1 11 1 "RMS(OBS, PRED)" CA 108 1.383 1 63 1 11 1 "RMS(OBS, PRED)" CB 95 1.208 1 64 1 11 1 "RMS(OBS, PRED)" H 104 0.659 1 65 1 11 1 "RMS(OBS, PRED)" HA 118 0.314 1 66 1 11 1 "RMS(OBS, PRED)" N 104 2.717 1 67 1 12 1 "RMS(OBS, PRED)" C 90 1.298 1 68 1 12 1 "RMS(OBS, PRED)" CA 108 1.299 1 69 1 12 1 "RMS(OBS, PRED)" CB 95 1.319 1 70 1 12 1 "RMS(OBS, PRED)" H 104 0.712 1 71 1 12 1 "RMS(OBS, PRED)" HA 118 0.297 1 72 1 12 1 "RMS(OBS, PRED)" N 104 2.738 1 73 1 13 1 "RMS(OBS, PRED)" C 90 1.389 1 74 1 13 1 "RMS(OBS, PRED)" CA 108 1.267 1 75 1 13 1 "RMS(OBS, PRED)" CB 95 1.375 1 76 1 13 1 "RMS(OBS, PRED)" H 104 0.744 1 77 1 13 1 "RMS(OBS, PRED)" HA 118 0.361 1 78 1 13 1 "RMS(OBS, PRED)" N 104 3.183 1 79 1 14 1 "RMS(OBS, PRED)" C 90 1.419 1 80 1 14 1 "RMS(OBS, PRED)" CA 108 1.211 1 81 1 14 1 "RMS(OBS, PRED)" CB 95 1.259 1 82 1 14 1 "RMS(OBS, PRED)" H 104 0.756 1 83 1 14 1 "RMS(OBS, PRED)" HA 118 0.355 1 84 1 14 1 "RMS(OBS, PRED)" N 104 2.555 1 85 1 15 1 "RMS(OBS, PRED)" C 90 1.419 1 86 1 15 1 "RMS(OBS, PRED)" CA 108 1.300 1 87 1 15 1 "RMS(OBS, PRED)" CB 95 1.278 1 88 1 15 1 "RMS(OBS, PRED)" H 104 0.802 1 89 1 15 1 "RMS(OBS, PRED)" HA 118 0.306 1 90 1 15 1 "RMS(OBS, PRED)" N 104 2.651 1 91 1 16 1 "RMS(OBS, PRED)" C 90 1.359 1 92 1 16 1 "RMS(OBS, PRED)" CA 108 1.318 1 93 1 16 1 "RMS(OBS, PRED)" CB 95 1.271 1 94 1 16 1 "RMS(OBS, PRED)" H 104 0.778 1 95 1 16 1 "RMS(OBS, PRED)" HA 118 0.326 1 96 1 16 1 "RMS(OBS, PRED)" N 104 2.834 1 97 1 17 1 "RMS(OBS, PRED)" C 90 1.376 1 98 1 17 1 "RMS(OBS, PRED)" CA 108 1.353 1 99 1 17 1 "RMS(OBS, PRED)" CB 95 1.270 1 100 1 17 1 "RMS(OBS, PRED)" H 104 0.754 1 101 1 17 1 "RMS(OBS, PRED)" HA 118 0.333 1 102 1 17 1 "RMS(OBS, PRED)" N 104 3.114 1 103 1 18 1 "RMS(OBS, PRED)" C 90 1.378 1 104 1 18 1 "RMS(OBS, PRED)" CA 108 1.565 1 105 1 18 1 "RMS(OBS, PRED)" CB 95 1.288 1 106 1 18 1 "RMS(OBS, PRED)" H 104 0.652 1 107 1 18 1 "RMS(OBS, PRED)" HA 118 0.321 1 108 1 18 1 "RMS(OBS, PRED)" N 104 2.812 1 109 1 19 1 "RMS(OBS, PRED)" C 90 1.293 1 110 1 19 1 "RMS(OBS, PRED)" CA 108 1.366 1 111 1 19 1 "RMS(OBS, PRED)" CB 95 1.243 1 112 1 19 1 "RMS(OBS, PRED)" H 104 0.728 1 113 1 19 1 "RMS(OBS, PRED)" HA 118 0.358 1 114 1 19 1 "RMS(OBS, PRED)" N 104 2.733 1 115 1 20 1 "RMS(OBS, PRED)" C 90 1.344 1 116 1 20 1 "RMS(OBS, PRED)" CA 108 1.285 1 117 1 20 1 "RMS(OBS, PRED)" CB 95 1.334 1 118 1 20 1 "RMS(OBS, PRED)" H 104 0.781 1 119 1 20 1 "RMS(OBS, PRED)" HA 118 0.347 1 120 1 20 1 "RMS(OBS, PRED)" N 104 3.073 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 7 . 1 1 A 2 2 ASP H H 2 8.644 8.278 0.365 2 1 8 . 1 1 A 2 2 ASP HA H 2 4.373 4.689 -0.316 2 1 11 . 1 1 A 2 2 ASP C C 2 178.938 175.775 3.163 2 1 12 . 1 1 A 2 2 ASP CA C 2 53.794 54.602 -0.808 2 1 13 . 1 1 A 2 2 ASP CB C 2 41.025 41.533 -0.508 2 1 14 . 1 1 A 2 2 ASP N N 2 122.106 121.407 0.699 2 1 15 . 1 1 A 3 3 SER H H 3 8.508 8.094 0.414 2 1 16 . 1 1 A 3 3 SER HA H 3 4.331 4.619 -0.288 2 1 19 . 1 1 A 3 3 SER C C 3 174.777 174.318 0.459 2 1 20 . 1 1 A 3 3 SER CA C 3 58.141 58.208 -0.067 2 1 21 . 1 1 A 3 3 SER CB C 3 63.359 64.266 -0.907 2 1 22 . 1 1 A 3 3 SER N N 3 117.604 113.925 3.679 2 1 23 . 1 1 A 4 4 GLY H H 4 8.603 8.652 -0.049 2 1 24 . 1 1 A 4 4 GLY HA2 H 4 4.130 4.149 -0.019 2 1 25 . 1 1 A 4 4 GLY HA3 H 4 4.076 4.154 -0.078 2 1 26 . 1 1 A 4 4 GLY C C 4 174.283 172.753 1.530 2 1 27 . 1 1 A 4 4 GLY CA C 4 45.054 44.982 0.072 2 1 28 . 1 1 A 4 4 GLY N N 4 111.842 110.660 1.182 2 1 29 . 1 1 A 5 5 THR H H 5 8.140 8.523 -0.383 2 1 30 . 1 1 A 5 5 THR HA H 5 4.371 4.761 -0.390 2 1 35 . 1 1 A 5 5 THR C C 5 174.827 173.663 1.164 2 1 36 . 1 1 A 5 5 THR CA C 5 61.515 61.154 0.361 2 1 37 . 1 1 A 5 5 THR CB C 5 69.683 71.737 -2.054 2 1 39 . 1 1 A 5 5 THR N N 5 112.188 113.972 -1.784 2 1 40 . 1 1 A 6 6 GLY H H 6 8.425 8.436 -0.011 2 1 41 . 1 1 A 6 6 GLY HA2 H 6 4.109 4.108 0.001 2 1 42 . 1 1 A 6 6 GLY HA3 H 6 3.875 4.148 -0.273 2 1 43 . 1 1 A 6 6 GLY C C 6 173.670 174.732 -1.062 2 1 44 . 1 1 A 6 6 GLY CA C 6 44.466 45.681 -1.215 2 1 45 . 1 1 A 6 6 GLY N N 6 110.955 111.564 -0.609 2 1 46 . 1 1 A 7 7 LEU H H 7 7.993 7.867 0.126 2 1 47 . 1 1 A 7 7 LEU HA H 7 4.503 4.136 0.367 2 1 53 . 1 1 A 7 7 LEU C C 7 177.284 176.702 0.582 2 1 54 . 1 1 A 7 7 LEU CA C 7 54.741 56.245 -1.504 2 1 55 . 1 1 A 7 7 LEU CB C 7 39.284 42.197 -2.913 2 1 58 . 1 1 A 7 7 LEU N N 7 121.268 121.066 0.202 2 1 59 . 1 1 A 8 8 THR H H 8 10.385 8.050 2.335 2 1 60 . 1 1 A 8 8 THR HA H 8 4.521 4.004 0.517 2 1 65 . 1 1 A 8 8 THR C C 8 176.965 174.624 2.341 2 1 66 . 1 1 A 8 8 THR CA C 8 64.563 62.050 2.513 2 1 67 . 1 1 A 8 8 THR CB C 8 71.946 70.496 1.450 2 1 69 . 1 1 A 8 8 THR N N 8 113.472 113.450 0.022 2 1 70 . 1 1 A 9 9 GLY H H 9 9.733 7.627 2.106 2 1 71 . 1 1 A 9 9 GLY HA2 H 9 4.391 3.631 0.760 2 1 72 . 1 1 A 9 9 GLY HA3 H 9 3.805 3.892 -0.087 2 1 73 . 1 1 A 9 9 GLY C C 9 173.133 174.233 -1.100 2 1 74 . 1 1 A 9 9 GLY CA C 9 45.453 46.189 -0.736 2 1 75 . 1 1 A 9 9 GLY N N 9 114.948 109.672 5.276 2 1 76 . 1 1 A 10 10 ASN H H 10 7.664 7.810 -0.146 2 1 77 . 1 1 A 10 10 ASN HA H 10 4.906 4.726 0.180 2 1 82 . 1 1 A 10 10 ASN C C 10 173.098 174.138 -1.040 2 1 83 . 1 1 A 10 10 ASN CA C 10 51.504 52.831 -1.327 2 1 84 . 1 1 A 10 10 ASN CB C 10 38.449 39.920 -1.471 2 1 85 . 1 1 A 10 10 ASN N N 10 120.991 118.071 2.920 2 1 87 . 1 1 A 11 11 TYR H H 11 8.892 8.257 0.635 2 1 88 . 1 1 A 11 11 TYR HA H 11 3.767 4.867 -1.099 2 1 91 . 1 1 A 11 11 TYR C C 11 177.871 176.499 1.372 2 1 92 . 1 1 A 11 11 TYR CA C 11 61.897 57.877 4.020 2 1 93 . 1 1 A 11 11 TYR CB C 11 38.099 39.702 -1.603 2 1 94 . 1 1 A 11 11 TYR N N 11 128.653 119.260 9.393 2 1 95 . 1 1 A 12 12 SER H H 12 8.729 8.855 -0.126 2 1 96 . 1 1 A 12 12 SER HA H 12 3.747 4.305 -0.558 2 1 99 . 1 1 A 12 12 SER C C 12 174.675 176.737 -2.062 2 1 100 . 1 1 A 12 12 SER CA C 12 62.371 61.770 0.601 2 1 101 . 1 1 A 12 12 SER CB C 12 61.600 62.801 -1.201 2 1 102 . 1 1 A 12 12 SER N N 12 119.446 116.861 2.585 2 1 103 . 1 1 A 13 13 GLN H H 13 7.645 8.100 -0.455 2 1 104 . 1 1 A 13 13 GLN HA H 13 3.955 4.046 -0.091 2 1 110 . 1 1 A 13 13 GLN C C 13 178.400 178.146 0.254 2 1 111 . 1 1 A 13 13 GLN CA C 13 58.083 58.888 -0.805 2 1 112 . 1 1 A 13 13 GLN CB C 13 28.328 28.406 -0.078 2 1 114 . 1 1 A 13 13 GLN N N 13 121.234 121.143 0.091 2 1 116 . 1 1 A 14 14 ASP H H 14 9.314 8.085 1.229 2 1 117 . 1 1 A 14 14 ASP HA H 14 4.513 4.386 0.127 2 1 120 . 1 1 A 14 14 ASP C C 14 177.320 178.668 -1.348 2 1 121 . 1 1 A 14 14 ASP CA C 14 56.778 56.935 -0.157 2 1 122 . 1 1 A 14 14 ASP CB C 14 40.380 40.586 -0.206 2 1 123 . 1 1 A 14 14 ASP N N 14 120.095 119.922 0.173 2 1 124 . 1 1 A 15 15 THR H H 15 8.283 8.104 0.178 2 1 125 . 1 1 A 15 15 THR HA H 15 3.637 3.978 -0.341 2 1 130 . 1 1 A 15 15 THR C C 15 174.455 176.922 -2.467 2 1 131 . 1 1 A 15 15 THR CA C 15 67.657 67.083 0.574 2 1 132 . 1 1 A 15 15 THR CB C 15 67.465 68.385 -0.920 2 1 134 . 1 1 A 15 15 THR N N 15 117.657 116.126 1.531 2 1 135 . 1 1 A 16 16 LEU H H 16 7.452 8.040 -0.588 2 1 136 . 1 1 A 16 16 LEU HA H 16 3.919 3.974 -0.055 2 1 140 . 1 1 A 16 16 LEU C C 16 179.666 179.117 0.549 2 1 141 . 1 1 A 16 16 LEU CA C 16 57.864 58.012 -0.148 2 1 142 . 1 1 A 16 16 LEU CB C 16 39.811 41.235 -1.424 2 1 144 . 1 1 A 16 16 LEU N N 16 120.034 119.316 0.718 2 1 145 . 1 1 A 17 17 THR H H 17 8.708 7.794 0.914 2 1 146 . 1 1 A 17 17 THR HA H 17 3.893 3.961 -0.068 2 1 151 . 1 1 A 17 17 THR C C 17 179.666 176.642 3.024 2 1 152 . 1 1 A 17 17 THR CA C 17 66.152 66.814 -0.662 2 1 153 . 1 1 A 17 17 THR CB C 17 67.921 68.654 -0.733 2 1 155 . 1 1 A 17 17 THR N N 17 121.382 115.645 5.737 2 1 156 . 1 1 A 18 18 VAL H H 18 8.194 8.170 0.024 2 1 157 . 1 1 A 18 18 VAL HA H 18 3.705 3.623 0.082 2 1 165 . 1 1 A 18 18 VAL C C 18 177.242 177.917 -0.675 2 1 166 . 1 1 A 18 18 VAL CA C 18 65.886 66.671 -0.785 2 1 167 . 1 1 A 18 18 VAL CB C 18 30.729 31.667 -0.938 2 1 170 . 1 1 A 18 18 VAL N N 18 123.227 121.304 1.923 2 1 171 . 1 1 A 19 19 ILE H H 19 7.933 8.563 -0.631 2 1 172 . 1 1 A 19 19 ILE HA H 19 2.633 3.661 -1.028 2 1 182 . 1 1 A 19 19 ILE C C 19 176.276 178.152 -1.876 2 1 183 . 1 1 A 19 19 ILE CA C 19 66.137 65.040 1.097 2 1 184 . 1 1 A 19 19 ILE CB C 19 37.782 37.278 0.504 2 1 188 . 1 1 A 19 19 ILE N N 19 119.786 119.613 0.173 2 1 189 . 1 1 A 20 20 ALA H H 20 7.782 8.289 -0.507 2 1 190 . 1 1 A 20 20 ALA HA H 20 3.972 4.064 -0.092 2 1 194 . 1 1 A 20 20 ALA C C 20 180.867 179.883 0.984 2 1 195 . 1 1 A 20 20 ALA CA C 20 55.170 55.174 -0.004 2 1 196 . 1 1 A 20 20 ALA CB C 20 17.282 18.325 -1.043 2 1 197 . 1 1 A 20 20 ALA N N 20 121.793 123.261 -1.468 2 1 198 . 1 1 A 21 21 THR H H 21 8.573 7.644 0.929 2 1 199 . 1 1 A 21 21 THR HA H 21 3.902 3.924 -0.022 2 1 204 . 1 1 A 21 21 THR C C 21 176.720 176.830 -0.110 2 1 205 . 1 1 A 21 21 THR CA C 21 65.200 66.651 -1.451 2 1 206 . 1 1 A 21 21 THR CB C 21 68.092 68.200 -0.108 2 1 208 . 1 1 A 21 21 THR N N 21 118.393 114.478 3.915 2 1 209 . 1 1 A 22 22 LEU H H 22 8.583 8.012 0.571 2 1 210 . 1 1 A 22 22 LEU HA H 22 4.065 3.919 0.146 2 1 217 . 1 1 A 22 22 LEU C C 22 178.284 179.046 -0.762 2 1 218 . 1 1 A 22 22 LEU CA C 22 57.005 57.916 -0.911 2 1 219 . 1 1 A 22 22 LEU CB C 22 40.209 41.556 -1.347 2 1 223 . 1 1 A 22 22 LEU N N 22 122.517 121.603 0.914 2 1 224 . 1 1 A 23 23 ARG H H 23 8.858 8.396 0.462 2 1 225 . 1 1 A 23 23 ARG HA H 23 3.873 3.880 -0.007 2 1 230 . 1 1 A 23 23 ARG C C 23 178.503 178.858 -0.355 2 1 231 . 1 1 A 23 23 ARG CA C 23 60.362 59.346 1.016 2 1 232 . 1 1 A 23 23 ARG CB C 23 29.808 29.688 0.120 2 1 235 . 1 1 A 23 23 ARG N N 23 120.502 118.069 2.433 2 1 237 . 1 1 A 24 24 GLU H H 24 7.250 7.974 -0.724 2 1 238 . 1 1 A 24 24 GLU HA H 24 4.109 4.013 0.096 2 1 243 . 1 1 A 24 24 GLU CA C 24 58.312 58.880 -0.568 2 1 244 . 1 1 A 24 24 GLU CB C 24 29.024 29.032 -0.008 2 1 246 . 1 1 A 24 24 GLU N N 24 117.221 119.496 -2.275 2 1 247 . 1 1 A 25 25 ALA H H 25 8.223 8.011 0.212 2 1 248 . 1 1 A 25 25 ALA HA H 25 3.983 4.063 -0.080 2 1 252 . 1 1 A 25 25 ALA C C 25 180.617 179.636 0.981 2 1 253 . 1 1 A 25 25 ALA CA C 25 55.203 55.045 0.158 2 1 254 . 1 1 A 25 25 ALA CB C 25 17.657 18.341 -0.684 2 1 255 . 1 1 A 25 25 ALA N N 25 121.823 122.258 -0.435 2 1 256 . 1 1 A 26 26 ILE H H 26 8.552 7.561 0.991 2 1 257 . 1 1 A 26 26 ILE HA H 26 4.144 3.807 0.337 2 1 267 . 1 1 A 26 26 ILE C C 26 175.586 176.232 -0.646 2 1 268 . 1 1 A 26 26 ILE CA C 26 63.790 63.045 0.745 2 1 269 . 1 1 A 26 26 ILE CB C 26 37.496 37.977 -0.481 2 1 273 . 1 1 A 26 26 ILE N N 26 112.838 118.848 -6.010 2 1 274 . 1 1 A 27 27 ASP H H 27 7.175 7.569 -0.394 2 1 275 . 1 1 A 27 27 ASP HA H 27 4.934 4.776 0.158 2 1 278 . 1 1 A 27 27 ASP C C 27 175.602 175.046 0.556 2 1 279 . 1 1 A 27 27 ASP CA C 27 53.160 53.212 -0.052 2 1 280 . 1 1 A 27 27 ASP CB C 27 41.754 41.053 0.701 2 1 281 . 1 1 A 27 27 ASP N N 27 120.840 120.379 0.462 2 1 282 . 1 1 A 28 28 LEU H H 28 7.136 7.421 -0.285 2 1 283 . 1 1 A 28 28 LEU HA H 28 4.510 4.496 0.014 2 1 290 . 1 1 A 28 28 LEU CA C 28 53.379 53.274 0.105 2 1 291 . 1 1 A 28 28 LEU CB C 28 42.286 41.721 0.565 2 1 294 . 1 1 A 28 28 LEU N N 28 124.155 119.881 4.274 2 1 295 . 1 1 A 29 29 PRO HA H 29 4.552 4.516 0.036 2 1 301 . 1 1 A 29 29 PRO C C 29 177.414 177.209 0.205 2 1 302 . 1 1 A 29 29 PRO CA C 29 62.506 62.870 -0.364 2 1 303 . 1 1 A 29 29 PRO CB C 29 32.263 32.608 -0.345 2 1 305 . 1 1 A 30 30 GLN H H 30 8.935 8.575 0.360 2 1 306 . 1 1 A 30 30 GLN HA H 30 3.966 4.082 -0.116 2 1 311 . 1 1 A 30 30 GLN C C 30 175.595 176.640 -1.045 2 1 312 . 1 1 A 30 30 GLN CA C 30 58.036 58.254 -0.218 2 1 313 . 1 1 A 30 30 GLN CB C 30 28.116 28.438 -0.322 2 1 315 . 1 1 A 30 30 GLN N N 30 122.119 121.482 0.637 2 1 317 . 1 1 A 31 31 ASP H H 31 8.353 8.017 0.336 2 1 318 . 1 1 A 31 31 ASP HA H 31 4.682 4.626 0.056 2 1 321 . 1 1 A 31 31 ASP C C 31 175.518 175.963 -0.445 2 1 322 . 1 1 A 31 31 ASP CA C 31 52.178 54.645 -2.466 2 1 323 . 1 1 A 31 31 ASP CB C 31 39.270 41.239 -1.969 2 1 324 . 1 1 A 31 31 ASP N N 31 115.909 118.481 -2.572 2 1 325 . 1 1 A 32 32 ALA H H 32 7.467 7.767 -0.300 2 1 326 . 1 1 A 32 32 ALA HA H 32 4.564 4.799 -0.235 2 1 330 . 1 1 A 32 32 ALA CA C 32 50.496 49.930 0.566 2 1 331 . 1 1 A 32 32 ALA CB C 32 17.852 19.031 -1.179 2 1 332 . 1 1 A 32 32 ALA N N 32 124.893 122.193 2.700 2 1 333 . 1 1 A 33 33 PRO HA H 33 4.494 4.469 0.025 2 1 339 . 1 1 A 33 33 PRO C C 33 176.278 176.415 -0.137 2 1 340 . 1 1 A 33 33 PRO CA C 33 63.894 63.789 0.105 2 1 341 . 1 1 A 33 33 PRO CB C 33 31.354 31.224 0.130 2 1 344 . 1 1 A 34 34 ASN H H 34 8.577 8.785 -0.208 2 1 345 . 1 1 A 34 34 ASN HA H 34 5.041 5.096 -0.055 2 1 350 . 1 1 A 34 34 ASN C C 34 174.678 175.667 -0.989 2 1 351 . 1 1 A 34 34 ASN CA C 34 51.792 52.316 -0.524 2 1 352 . 1 1 A 34 34 ASN CB C 34 36.334 38.765 -2.431 2 1 353 . 1 1 A 34 34 ASN N N 34 115.598 116.838 -1.240 2 1 355 . 1 1 A 35 35 ARG H H 35 7.401 8.321 -0.920 2 1 356 . 1 1 A 35 35 ARG HA H 35 3.726 4.057 -0.331 2 1 363 . 1 1 A 35 35 ARG C C 35 176.887 178.414 -1.527 2 1 364 . 1 1 A 35 35 ARG CA C 35 60.063 59.344 0.719 2 1 365 . 1 1 A 35 35 ARG CB C 35 29.571 29.897 -0.326 2 1 368 . 1 1 A 35 35 ARG N N 35 119.690 120.874 -1.184 2 1 370 . 1 1 A 36 36 GLN H H 36 8.780 8.062 0.718 2 1 371 . 1 1 A 36 36 GLN HA H 36 3.805 4.211 -0.406 2 1 377 . 1 1 A 36 36 GLN CA C 36 58.618 58.989 -0.371 2 1 378 . 1 1 A 36 36 GLN CB C 36 27.595 28.549 -0.954 2 1 380 . 1 1 A 36 36 GLN N N 36 119.100 119.168 -0.068 2 1 382 . 1 1 A 37 37 GLU H H 37 8.128 7.998 0.130 2 1 383 . 1 1 A 37 37 GLU HA H 37 4.137 4.116 0.021 2 1 387 . 1 1 A 37 37 GLU C C 37 179.222 179.199 0.023 2 1 388 . 1 1 A 37 37 GLU CA C 37 59.336 59.086 0.250 2 1 389 . 1 1 A 37 37 GLU CB C 37 28.781 29.530 -0.749 2 1 391 . 1 1 A 37 37 GLU N N 37 120.485 120.063 0.422 2 1 392 . 1 1 A 38 38 VAL H H 38 8.127 8.369 -0.242 2 1 393 . 1 1 A 38 38 VAL HA H 38 3.708 3.643 0.065 2 1 401 . 1 1 A 38 38 VAL C C 38 178.246 178.027 0.219 2 1 402 . 1 1 A 38 38 VAL CA C 38 66.019 66.544 -0.525 2 1 403 . 1 1 A 38 38 VAL CB C 38 31.008 31.579 -0.571 2 1 406 . 1 1 A 38 38 VAL N N 38 121.937 120.372 1.565 2 1 407 . 1 1 A 39 39 GLN H H 39 8.324 7.882 0.442 2 1 408 . 1 1 A 39 39 GLN HA H 39 3.764 3.974 -0.209 2 1 415 . 1 1 A 39 39 GLN C C 39 177.642 177.668 -0.026 2 1 416 . 1 1 A 39 39 GLN CA C 39 59.019 58.905 0.114 2 1 417 . 1 1 A 39 39 GLN CB C 39 27.176 28.384 -1.208 2 1 419 . 1 1 A 39 39 GLN N N 39 120.203 120.124 0.079 2 1 421 . 1 1 A 40 40 ASP H H 40 8.699 8.424 0.275 2 1 422 . 1 1 A 40 40 ASP HA H 40 4.391 4.277 0.114 2 1 425 . 1 1 A 40 40 ASP C C 40 179.726 178.640 1.086 2 1 426 . 1 1 A 40 40 ASP CA C 40 57.267 57.396 -0.129 2 1 427 . 1 1 A 40 40 ASP CB C 40 39.458 41.371 -1.913 2 1 428 . 1 1 A 40 40 ASP N N 40 121.604 119.789 1.815 2 1 429 . 1 1 A 41 41 THR H H 41 8.449 7.825 0.624 2 1 430 . 1 1 A 41 41 THR HA H 41 3.981 3.935 0.046 2 1 435 . 1 1 A 41 41 THR CA C 41 66.254 65.852 0.402 2 1 436 . 1 1 A 41 41 THR CB C 41 67.937 68.475 -0.538 2 1 437 . 1 1 A 41 41 THR N N 41 121.386 116.166 5.220 2 1 438 . 1 1 A 42 42 ALA H H 42 8.552 7.859 0.693 2 1 439 . 1 1 A 42 42 ALA HA H 42 3.876 3.960 -0.084 2 1 443 . 1 1 A 42 42 ALA C C 42 178.300 179.827 -1.527 2 1 444 . 1 1 A 42 42 ALA CA C 42 55.244 55.163 0.081 2 1 445 . 1 1 A 42 42 ALA CB C 42 17.295 18.188 -0.893 2 1 446 . 1 1 A 42 42 ALA N N 42 126.245 123.420 2.825 2 1 447 . 1 1 A 43 43 ARG H H 43 8.553 7.985 0.568 2 1 448 . 1 1 A 43 43 ARG HA H 43 3.923 4.101 -0.178 2 1 451 . 1 1 A 43 43 ARG C C 43 178.522 179.278 -0.756 2 1 452 . 1 1 A 43 43 ARG CA C 43 59.680 59.702 -0.022 2 1 453 . 1 1 A 43 43 ARG CB C 43 29.887 29.983 -0.096 2 1 454 . 1 1 A 43 43 ARG N N 43 117.705 119.179 -1.474 2 1 455 . 1 1 A 44 44 GLY H H 44 8.049 8.026 0.023 2 1 456 . 1 1 A 44 44 GLY HA2 H 44 4.066 3.802 0.264 2 1 457 . 1 1 A 44 44 GLY HA3 H 44 3.972 3.805 0.167 2 1 458 . 1 1 A 44 44 GLY CA C 44 46.710 47.424 -0.714 2 1 459 . 1 1 A 44 44 GLY N N 44 106.443 107.017 -0.574 2 1 460 . 1 1 A 45 45 GLN H H 45 8.305 7.664 0.641 2 1 461 . 1 1 A 45 45 GLN HA H 45 4.204 4.146 0.058 2 1 466 . 1 1 A 45 45 GLN C C 45 177.942 178.776 -0.834 2 1 467 . 1 1 A 45 45 GLN CA C 45 59.930 58.583 1.347 2 1 468 . 1 1 A 45 45 GLN CB C 45 28.520 28.422 0.098 2 1 470 . 1 1 A 45 45 GLN N N 45 123.780 120.981 2.798 2 1 472 . 1 1 A 46 46 ILE H H 46 8.673 7.973 0.700 2 1 473 . 1 1 A 46 46 ILE HA H 46 3.594 3.707 -0.113 2 1 483 . 1 1 A 46 46 ILE C C 46 176.649 177.956 -1.307 2 1 484 . 1 1 A 46 46 ILE CA C 46 66.299 65.477 0.822 2 1 485 . 1 1 A 46 46 ILE CB C 46 37.762 37.728 0.034 2 1 489 . 1 1 A 46 46 ILE N N 46 120.050 120.903 -0.853 2 1 490 . 1 1 A 47 47 ASN H H 47 7.866 8.496 -0.630 2 1 491 . 1 1 A 47 47 ASN HA H 47 4.525 4.442 0.083 2 1 495 . 1 1 A 47 47 ASN C C 47 176.649 177.488 -0.839 2 1 496 . 1 1 A 47 47 ASN CA C 47 55.703 56.551 -0.848 2 1 497 . 1 1 A 47 47 ASN CB C 47 37.925 38.191 -0.266 2 1 498 . 1 1 A 47 47 ASN N N 47 116.444 118.677 -2.233 2 1 500 . 1 1 A 48 48 ASP H H 48 8.185 7.913 0.272 2 1 501 . 1 1 A 48 48 ASP HA H 48 4.460 4.507 -0.047 2 1 504 . 1 1 A 48 48 ASP C C 48 176.285 178.163 -1.878 2 1 505 . 1 1 A 48 48 ASP CA C 48 56.635 57.254 -0.619 2 1 506 . 1 1 A 48 48 ASP CB C 48 41.593 41.043 0.550 2 1 507 . 1 1 A 48 48 ASP N N 48 121.725 119.429 2.296 2 1 508 . 1 1 A 49 49 TYR H H 49 8.756 8.889 -0.133 2 1 509 . 1 1 A 49 49 TYR HA H 49 3.892 4.366 -0.474 2 1 512 . 1 1 A 49 49 TYR C C 49 176.432 177.071 -0.639 2 1 513 . 1 1 A 49 49 TYR CA C 49 62.617 61.479 1.138 2 1 514 . 1 1 A 49 49 TYR CB C 49 39.188 38.664 0.524 2 1 515 . 1 1 A 49 49 TYR N N 49 121.005 121.147 -0.142 2 1 516 . 1 1 A 50 50 ILE H H 50 8.481 8.890 -0.409 2 1 517 . 1 1 A 50 50 ILE HA H 50 3.901 3.903 -0.002 2 1 527 . 1 1 A 50 50 ILE C C 50 177.407 176.997 0.410 2 1 528 . 1 1 A 50 50 ILE CA C 50 63.893 63.792 0.101 2 1 529 . 1 1 A 50 50 ILE CB C 50 36.668 38.075 -1.407 2 1 533 . 1 1 A 50 50 ILE N N 50 117.237 119.949 -2.712 2 1 534 . 1 1 A 51 51 SER H H 51 7.870 8.065 -0.195 2 1 535 . 1 1 A 51 51 SER HA H 51 4.203 4.603 -0.400 2 1 538 . 1 1 A 51 51 SER C C 51 177.413 174.450 2.963 2 1 539 . 1 1 A 51 51 SER CA C 51 61.003 58.099 2.904 2 1 540 . 1 1 A 51 51 SER CB C 51 62.711 63.576 -0.865 2 1 541 . 1 1 A 51 51 SER N N 51 113.635 114.927 -1.292 2 1 542 . 1 1 A 52 52 ARG H H 52 8.386 7.775 0.611 2 1 543 . 1 1 A 52 52 ARG HA H 52 3.816 4.489 -0.673 2 1 551 . 1 1 A 52 52 ARG C C 52 178.788 175.022 3.766 2 1 552 . 1 1 A 52 52 ARG CA C 52 58.343 56.969 1.374 2 1 553 . 1 1 A 52 52 ARG CB C 52 30.053 32.654 -2.601 2 1 556 . 1 1 A 52 52 ARG N N 52 120.787 120.568 0.219 2 1 558 . 1 1 A 53 53 TYR H H 53 7.428 8.265 -0.837 2 1 559 . 1 1 A 53 53 TYR HA H 53 4.667 4.764 -0.097 2 1 562 . 1 1 A 53 53 TYR C C 53 174.743 174.988 -0.245 2 1 563 . 1 1 A 53 53 TYR CA C 53 57.922 56.344 1.578 2 1 564 . 1 1 A 53 53 TYR CB C 53 38.030 38.259 -0.229 2 1 565 . 1 1 A 53 53 TYR N N 53 115.269 118.414 -3.145 2 1 566 . 1 1 A 54 54 ARG H H 54 7.775 8.073 -0.298 2 1 567 . 1 1 A 54 54 ARG HA H 54 4.249 3.999 0.250 2 1 570 . 1 1 A 54 54 ARG C C 54 177.121 176.027 1.094 2 1 571 . 1 1 A 54 54 ARG CA C 54 58.720 56.742 1.978 2 1 572 . 1 1 A 54 54 ARG CB C 54 29.345 31.044 -1.699 2 1 573 . 1 1 A 54 54 ARG N N 54 120.518 122.517 -1.999 2 1 574 . 1 1 A 55 55 ARG H H 55 8.319 7.821 0.498 2 1 575 . 1 1 A 55 55 ARG HA H 55 4.249 4.175 0.074 2 1 577 . 1 1 A 55 55 ARG C C 55 177.395 175.839 1.556 2 1 578 . 1 1 A 55 55 ARG CA C 55 56.766 56.234 0.532 2 1 579 . 1 1 A 55 55 ARG CB C 55 29.231 30.815 -1.584 2 1 580 . 1 1 A 55 55 ARG N N 55 119.094 120.285 -1.191 2 1 581 . 1 1 A 56 56 LYS H H 56 8.062 8.431 -0.370 2 1 582 . 1 1 A 56 56 LYS HA H 56 4.069 4.488 -0.419 2 1 588 . 1 1 A 56 56 LYS C C 56 177.177 176.588 0.589 2 1 589 . 1 1 A 56 56 LYS CA C 56 56.740 56.034 0.706 2 1 590 . 1 1 A 56 56 LYS CB C 56 31.291 33.690 -2.399 2 1 594 . 1 1 A 56 56 LYS N N 56 121.271 123.154 -1.883 2 1 595 . 1 1 A 57 57 GLY H H 57 8.138 8.077 0.061 2 1 596 . 1 1 A 57 57 GLY HA2 H 57 4.055 3.960 0.095 2 1 597 . 1 1 A 57 57 GLY HA3 H 57 3.766 4.006 -0.240 2 1 598 . 1 1 A 57 57 GLY C C 57 174.196 173.978 0.218 2 1 599 . 1 1 A 57 57 GLY CA C 57 45.336 45.794 -0.458 2 1 600 . 1 1 A 57 57 GLY N N 57 108.747 108.862 -0.115 2 1 601 . 1 1 A 58 58 ASP H H 58 7.937 8.250 -0.313 2 1 602 . 1 1 A 58 58 ASP HA H 58 4.571 4.451 0.120 2 1 604 . 1 1 A 58 58 ASP CA C 58 54.548 54.425 0.123 2 1 605 . 1 1 A 58 58 ASP CB C 58 40.254 40.172 0.082 2 1 606 . 1 1 A 58 58 ASP N N 58 121.456 120.960 0.496 2 1 607 . 1 1 A 59 59 ALA H H 59 8.150 8.313 -0.163 2 1 608 . 1 1 A 59 59 ALA HA H 59 4.178 4.282 -0.104 2 1 612 . 1 1 A 59 59 ALA C C 59 177.927 177.948 -0.021 2 1 613 . 1 1 A 59 59 ALA CA C 59 52.751 52.851 -0.100 2 1 614 . 1 1 A 59 59 ALA CB C 59 18.062 19.518 -1.456 2 1 615 . 1 1 A 59 59 ALA N N 59 123.316 125.771 -2.455 2 1 616 . 1 1 A 60 60 GLY H H 60 8.190 8.114 0.076 2 1 617 . 1 1 A 60 60 GLY HA2 H 60 3.954 4.003 -0.049 2 1 618 . 1 1 A 60 60 GLY HA3 H 60 3.962 4.010 -0.048 2 1 619 . 1 1 A 60 60 GLY C C 60 174.572 174.695 -0.123 2 1 620 . 1 1 A 60 60 GLY CA C 60 45.301 45.559 -0.258 2 1 621 . 1 1 A 60 60 GLY N N 60 107.588 105.755 1.833 2 1 622 . 1 1 A 61 61 GLY H H 61 8.014 8.211 -0.197 2 1 623 . 1 1 A 61 61 GLY HA2 H 61 4.068 4.085 -0.018 2 1 624 . 1 1 A 61 61 GLY HA3 H 61 3.882 4.115 -0.233 2 1 625 . 1 1 A 61 61 GLY C C 61 173.560 173.779 -0.219 2 1 626 . 1 1 A 61 61 GLY CA C 61 44.784 45.232 -0.448 2 1 627 . 1 1 A 61 61 GLY N N 61 108.839 107.494 1.345 2 1 628 . 1 1 A 62 62 LEU H H 62 8.038 8.292 -0.254 2 1 629 . 1 1 A 62 62 LEU HA H 62 4.528 4.603 -0.075 2 1 636 . 1 1 A 62 62 LEU C C 62 177.058 177.358 -0.301 2 1 637 . 1 1 A 62 62 LEU CA C 62 54.038 54.314 -0.276 2 1 638 . 1 1 A 62 62 LEU CB C 62 42.254 43.252 -0.998 2 1 641 . 1 1 A 62 62 LEU N N 62 122.191 121.911 0.280 2 1 642 . 1 1 A 63 63 LYS H H 63 9.378 8.762 0.616 2 1 643 . 1 1 A 63 63 LYS HA H 63 4.223 4.282 -0.059 2 1 647 . 1 1 A 63 63 LYS C C 63 179.928 178.393 1.535 2 1 648 . 1 1 A 63 63 LYS CA C 63 58.665 58.125 0.540 2 1 649 . 1 1 A 63 63 LYS CB C 63 31.663 32.935 -1.272 2 1 651 . 1 1 A 63 63 LYS N N 63 129.582 123.135 6.447 2 1 652 . 1 1 A 64 64 SER H H 64 10.250 8.229 2.021 2 1 653 . 1 1 A 64 64 SER HA H 64 4.169 4.287 -0.118 2 1 656 . 1 1 A 64 64 SER C C 64 175.569 176.409 -0.840 2 1 657 . 1 1 A 64 64 SER CA C 64 61.010 61.857 -0.847 2 1 658 . 1 1 A 64 64 SER N N 64 117.647 115.960 1.687 2 1 659 . 1 1 A 65 65 PHE H H 65 7.035 7.994 -0.959 2 1 660 . 1 1 A 65 65 PHE HA H 65 4.444 4.209 0.235 2 1 663 . 1 1 A 65 65 PHE C C 65 176.884 177.054 -0.170 2 1 664 . 1 1 A 65 65 PHE CA C 65 61.911 61.536 0.375 2 1 665 . 1 1 A 65 65 PHE CB C 65 38.861 39.241 -0.380 2 1 666 . 1 1 A 65 65 PHE N N 65 123.056 122.828 0.228 2 1 667 . 1 1 A 66 66 THR H H 66 8.475 8.079 0.396 2 1 668 . 1 1 A 66 66 THR HA H 66 3.932 3.533 0.399 2 1 673 . 1 1 A 66 66 THR C C 66 176.884 176.567 0.317 2 1 674 . 1 1 A 66 66 THR CA C 66 66.236 66.167 0.069 2 1 675 . 1 1 A 66 66 THR CB C 66 67.993 68.414 -0.421 2 1 677 . 1 1 A 66 66 THR N N 66 115.996 114.889 1.107 2 1 678 . 1 1 A 67 67 THR H H 67 8.100 7.750 0.350 2 1 679 . 1 1 A 67 67 THR HA H 67 3.979 4.020 -0.041 2 1 684 . 1 1 A 67 67 THR CA C 67 66.516 66.097 0.419 2 1 685 . 1 1 A 67 67 THR CB C 67 68.188 68.203 -0.015 2 1 687 . 1 1 A 67 67 THR N N 67 120.365 115.066 5.299 2 1 688 . 1 1 A 68 68 MET H H 68 8.134 7.868 0.266 2 1 689 . 1 1 A 68 68 MET HA H 68 4.429 3.913 0.516 2 1 697 . 1 1 A 68 68 MET C C 68 177.682 178.471 -0.789 2 1 698 . 1 1 A 68 68 MET CA C 68 56.239 58.918 -2.679 2 1 699 . 1 1 A 68 68 MET CB C 68 30.516 32.223 -1.707 2 1 702 . 1 1 A 68 68 MET N N 68 120.545 119.568 0.977 2 1 703 . 1 1 A 69 69 GLN H H 69 9.139 7.242 1.897 2 1 704 . 1 1 A 69 69 GLN HA H 69 3.694 4.077 -0.383 2 1 711 . 1 1 A 69 69 GLN C C 69 177.433 178.515 -1.082 2 1 712 . 1 1 A 69 69 GLN CA C 69 59.779 58.430 1.349 2 1 713 . 1 1 A 69 69 GLN CB C 69 28.547 28.096 0.451 2 1 715 . 1 1 A 69 69 GLN N N 69 120.358 118.746 1.612 2 1 717 . 1 1 A 70 70 THR H H 70 7.809 7.807 0.002 2 1 718 . 1 1 A 70 70 THR HA H 70 3.979 3.887 0.092 2 1 723 . 1 1 A 70 70 THR C C 70 176.394 176.333 0.061 2 1 724 . 1 1 A 70 70 THR CA C 70 66.028 66.541 -0.514 2 1 725 . 1 1 A 70 70 THR CB C 70 68.198 68.831 -0.633 2 1 727 . 1 1 A 70 70 THR N N 70 116.198 116.813 -0.615 2 1 728 . 1 1 A 71 71 ALA H H 71 7.859 8.568 -0.708 2 1 729 . 1 1 A 71 71 ALA HA H 71 3.994 4.119 -0.124 2 1 733 . 1 1 A 71 71 ALA CA C 71 54.902 55.015 -0.113 2 1 734 . 1 1 A 71 71 ALA CB C 71 17.926 18.160 -0.234 2 1 735 . 1 1 A 71 71 ALA N N 71 126.667 124.252 2.415 2 1 736 . 1 1 A 72 72 LEU H H 72 9.261 7.973 1.288 2 1 737 . 1 1 A 72 72 LEU HA H 72 3.915 4.054 -0.139 2 1 743 . 1 1 A 72 72 LEU C C 72 179.219 178.654 0.565 2 1 744 . 1 1 A 72 72 LEU CA C 72 58.406 58.111 0.295 2 1 745 . 1 1 A 72 72 LEU CB C 72 38.744 41.614 -2.870 2 1 747 . 1 1 A 72 72 LEU N N 72 119.657 120.335 -0.678 2 1 748 . 1 1 A 73 73 ASN H H 73 8.542 7.961 0.581 2 1 749 . 1 1 A 73 73 ASN HA H 73 4.606 4.467 0.139 2 1 754 . 1 1 A 73 73 ASN CA C 73 55.711 56.345 -0.634 2 1 755 . 1 1 A 73 73 ASN CB C 73 37.398 38.305 -0.907 2 1 756 . 1 1 A 73 73 ASN N N 73 118.851 117.453 1.398 2 1 758 . 1 1 A 74 74 SER H H 74 7.849 7.821 0.028 2 1 759 . 1 1 A 74 74 SER HA H 74 4.379 4.197 0.182 2 1 762 . 1 1 A 74 74 SER C C 74 175.881 176.849 -0.968 2 1 763 . 1 1 A 74 74 SER CA C 74 61.405 61.758 -0.353 2 1 764 . 1 1 A 74 74 SER N N 74 118.042 115.646 2.396 2 1 765 . 1 1 A 75 75 LEU H H 75 8.084 8.941 -0.857 2 1 766 . 1 1 A 75 75 LEU HA H 75 4.181 4.038 0.143 2 1 773 . 1 1 A 75 75 LEU C C 75 176.899 178.928 -2.029 2 1 774 . 1 1 A 75 75 LEU CA C 75 56.746 58.075 -1.329 2 1 775 . 1 1 A 75 75 LEU CB C 75 41.896 41.597 0.299 2 1 777 . 1 1 A 75 75 LEU N N 75 124.099 120.540 3.559 2 1 778 . 1 1 A 76 76 ALA H H 76 8.695 8.070 0.625 2 1 779 . 1 1 A 76 76 ALA HA H 76 4.134 4.168 -0.034 2 1 783 . 1 1 A 76 76 ALA C C 76 180.159 180.199 -0.040 2 1 784 . 1 1 A 76 76 ALA CA C 76 55.315 55.364 -0.049 2 1 785 . 1 1 A 76 76 ALA CB C 76 17.624 18.357 -0.733 2 1 786 . 1 1 A 76 76 ALA N N 76 121.934 121.305 0.629 2 1 787 . 1 1 A 77 77 GLY H H 77 8.198 8.373 -0.175 2 1 788 . 1 1 A 77 77 GLY HA2 H 77 3.917 3.634 0.283 2 1 789 . 1 1 A 77 77 GLY HA3 H 77 3.925 3.665 0.260 2 1 790 . 1 1 A 77 77 GLY C C 77 175.177 175.624 -0.447 2 1 791 . 1 1 A 77 77 GLY CA C 77 46.066 47.188 -1.122 2 1 792 . 1 1 A 77 77 GLY N N 77 105.613 106.263 -0.650 2 1 793 . 1 1 A 78 78 TYR H H 78 7.973 8.076 -0.103 2 1 794 . 1 1 A 78 78 TYR HA H 78 4.326 4.239 0.087 2 1 797 . 1 1 A 78 78 TYR C C 78 176.705 177.484 -0.779 2 1 798 . 1 1 A 78 78 TYR CA C 78 61.280 60.772 0.508 2 1 799 . 1 1 A 78 78 TYR CB C 78 37.737 38.692 -0.955 2 1 800 . 1 1 A 78 78 TYR N N 78 123.680 123.110 0.570 2 1 801 . 1 1 A 79 79 TYR H H 79 8.347 7.947 0.400 2 1 802 . 1 1 A 79 79 TYR HA H 79 4.750 4.014 0.736 2 1 805 . 1 1 A 79 79 TYR C C 79 178.135 176.729 1.406 2 1 806 . 1 1 A 79 79 TYR CA C 79 57.389 60.521 -3.132 2 1 807 . 1 1 A 79 79 TYR CB C 79 36.796 38.737 -1.941 2 1 808 . 1 1 A 79 79 TYR N N 79 119.870 120.194 -0.324 2 1 809 . 1 1 A 80 80 THR H H 80 8.180 7.985 0.195 2 1 810 . 1 1 A 80 80 THR HA H 80 4.208 3.879 0.329 2 1 815 . 1 1 A 80 80 THR C C 80 175.302 174.810 0.492 2 1 816 . 1 1 A 80 80 THR CA C 80 64.276 63.600 0.676 2 1 817 . 1 1 A 80 80 THR CB C 80 69.098 68.750 0.348 2 1 819 . 1 1 A 80 80 THR N N 80 114.967 114.109 0.859 2 1 820 . 1 1 A 81 81 SER H H 81 8.027 8.024 0.003 2 1 821 . 1 1 A 81 81 SER HA H 81 4.214 4.394 -0.180 2 1 824 . 1 1 A 81 81 SER C C 81 174.305 173.965 0.340 2 1 825 . 1 1 A 81 81 SER CA C 81 60.578 58.444 2.134 2 1 826 . 1 1 A 81 81 SER CB C 81 63.385 63.940 -0.555 2 1 827 . 1 1 A 81 81 SER N N 81 116.664 116.584 0.080 2 1 828 . 1 1 A 82 82 TYR H H 82 8.396 8.140 0.256 2 1 829 . 1 1 A 82 82 TYR HA H 82 4.612 4.384 0.228 2 1 832 . 1 1 A 82 82 TYR C C 82 176.069 175.868 0.201 2 1 833 . 1 1 A 82 82 TYR CA C 82 57.676 59.141 -1.465 2 1 834 . 1 1 A 82 82 TYR CB C 82 38.160 38.639 -0.479 2 1 835 . 1 1 A 82 82 TYR N N 82 119.325 120.839 -1.514 2 1 836 . 1 1 A 83 83 GLY H H 83 7.982 7.934 0.048 2 1 837 . 1 1 A 83 83 GLY HA2 H 83 4.021 3.816 0.205 2 1 838 . 1 1 A 83 83 GLY HA3 H 83 3.877 3.929 -0.052 2 1 839 . 1 1 A 83 83 GLY C C 83 178.820 173.824 4.996 2 1 840 . 1 1 A 83 83 GLY CA C 83 46.170 45.574 0.596 2 1 841 . 1 1 A 83 83 GLY N N 83 111.287 107.419 3.868 2 1 842 . 1 1 A 84 84 ALA H H 84 8.505 8.356 0.149 2 1 843 . 1 1 A 84 84 ALA HA H 84 4.619 4.424 0.195 2 1 847 . 1 1 A 84 84 ALA C C 84 176.933 176.741 0.192 2 1 848 . 1 1 A 84 84 ALA CA C 84 51.514 51.635 -0.121 2 1 849 . 1 1 A 84 84 ALA CB C 84 18.109 18.546 -0.437 2 1 850 . 1 1 A 84 84 ALA N N 84 126.408 124.991 1.417 2 1 851 . 1 1 A 85 85 ARG H H 85 8.057 8.030 0.027 2 1 852 . 1 1 A 85 85 ARG HA H 85 4.696 4.635 0.061 2 1 854 . 1 1 A 85 85 ARG CA C 85 53.887 55.369 -1.482 2 1 855 . 1 1 A 85 85 ARG CB C 85 30.500 31.858 -1.358 2 1 856 . 1 1 A 85 85 ARG N N 85 123.060 117.429 5.631 2 1 857 . 1 1 A 86 86 PRO HA H 86 4.426 4.507 -0.081 2 1 862 . 1 1 A 86 86 PRO CA C 86 62.541 62.870 -0.329 2 1 863 . 1 1 A 86 86 PRO CB C 86 31.477 31.933 -0.456 2 1 864 . 1 1 A 87 87 ILE H H 87 8.449 8.409 0.040 2 1 865 . 1 1 A 87 87 ILE HA H 87 3.821 4.377 -0.556 2 1 875 . 1 1 A 87 87 ILE CA C 87 58.300 59.421 -1.121 2 1 876 . 1 1 A 87 87 ILE CB C 87 37.630 38.533 -0.903 2 1 880 . 1 1 A 87 87 ILE N N 87 125.558 123.705 1.853 2 1 881 . 1 1 A 88 88 PRO HA H 88 4.425 4.511 -0.086 2 1 884 . 1 1 A 88 88 PRO C C 88 177.001 177.691 -0.690 2 1 885 . 1 1 A 88 88 PRO CA C 88 62.298 62.973 -0.675 2 1 886 . 1 1 A 88 88 PRO CB C 88 32.070 32.645 -0.575 2 1 887 . 1 1 A 89 89 GLU H H 89 8.861 8.679 0.182 2 1 888 . 1 1 A 89 89 GLU HA H 89 3.871 3.967 -0.096 2 1 891 . 1 1 A 89 89 GLU C C 89 177.756 178.535 -0.779 2 1 892 . 1 1 A 89 89 GLU CA C 89 59.711 59.546 0.165 2 1 893 . 1 1 A 89 89 GLU CB C 89 29.119 29.249 -0.130 2 1 894 . 1 1 A 89 89 GLU N N 89 125.518 122.595 2.923 2 1 895 . 1 1 A 90 90 LYS H H 90 8.827 7.835 0.992 2 1 896 . 1 1 A 90 90 LYS HA H 90 3.969 4.061 -0.092 2 1 899 . 1 1 A 90 90 LYS C C 90 178.672 179.254 -0.582 2 1 900 . 1 1 A 90 90 LYS CA C 90 59.423 59.237 0.186 2 1 901 . 1 1 A 90 90 LYS CB C 90 31.820 32.327 -0.507 2 1 902 . 1 1 A 90 90 LYS N N 90 117.281 119.805 -2.524 2 1 903 . 1 1 A 91 91 LEU H H 91 6.857 8.054 -1.197 2 1 904 . 1 1 A 91 91 LEU HA H 91 4.212 4.018 0.194 2 1 911 . 1 1 A 91 91 LEU CA C 91 56.390 57.693 -1.303 2 1 912 . 1 1 A 91 91 LEU CB C 91 40.627 41.258 -0.631 2 1 915 . 1 1 A 91 91 LEU N N 91 120.818 119.786 1.032 2 1 916 . 1 1 A 92 92 LYS H H 92 8.156 8.566 -0.410 2 1 917 . 1 1 A 92 92 LYS HA H 92 3.558 3.916 -0.358 2 1 925 . 1 1 A 92 92 LYS C C 92 177.480 178.744 -1.264 2 1 926 . 1 1 A 92 92 LYS CA C 92 60.613 59.723 0.890 2 1 927 . 1 1 A 92 92 LYS CB C 92 31.812 32.307 -0.495 2 1 931 . 1 1 A 92 92 LYS N N 92 120.663 119.755 0.908 2 1 932 . 1 1 A 93 93 LYS H H 93 8.156 8.813 -0.657 2 1 933 . 1 1 A 93 93 LYS HA H 93 4.032 3.957 0.075 2 1 936 . 1 1 A 93 93 LYS C C 93 178.757 178.785 -0.028 2 1 937 . 1 1 A 93 93 LYS CA C 93 58.546 59.466 -0.920 2 1 938 . 1 1 A 93 93 LYS CB C 93 31.726 32.220 -0.494 2 1 939 . 1 1 A 93 93 LYS N N 93 116.478 118.930 -2.452 2 1 940 . 1 1 A 94 94 ARG H H 94 7.287 8.162 -0.875 2 1 941 . 1 1 A 94 94 ARG HA H 94 4.032 4.053 -0.021 2 1 948 . 1 1 A 94 94 ARG C C 94 177.872 178.736 -0.864 2 1 949 . 1 1 A 94 94 ARG CA C 94 58.639 59.135 -0.496 2 1 950 . 1 1 A 94 94 ARG CB C 94 29.490 30.136 -0.646 2 1 953 . 1 1 A 94 94 ARG N N 94 120.980 119.165 1.815 2 1 955 . 1 1 A 95 95 LEU H H 95 8.365 9.134 -0.769 2 1 956 . 1 1 A 95 95 LEU HA H 95 3.597 3.880 -0.283 2 1 960 . 1 1 A 95 95 LEU C C 95 177.342 179.191 -1.849 2 1 961 . 1 1 A 95 95 LEU CA C 95 57.009 57.483 -0.474 2 1 962 . 1 1 A 95 95 LEU CB C 95 40.718 41.092 -0.374 2 1 964 . 1 1 A 95 95 LEU N N 95 119.611 119.581 0.030 2 1 965 . 1 1 A 96 96 GLN H H 96 8.126 9.032 -0.906 2 1 966 . 1 1 A 96 96 GLN HA H 96 4.033 4.108 -0.075 2 1 972 . 1 1 A 96 96 GLN C C 96 179.502 178.234 1.268 2 1 973 . 1 1 A 96 96 GLN CA C 96 58.743 58.935 -0.192 2 1 974 . 1 1 A 96 96 GLN CB C 96 27.315 28.396 -1.081 2 1 976 . 1 1 A 96 96 GLN N N 96 115.986 119.415 -3.429 2 1 978 . 1 1 A 97 97 LEU H H 97 7.574 8.890 -1.316 2 1 979 . 1 1 A 97 97 LEU HA H 97 4.176 4.228 -0.052 2 1 983 . 1 1 A 97 97 LEU CA C 97 57.816 57.592 0.224 2 1 984 . 1 1 A 97 97 LEU CB C 97 41.107 41.913 -0.806 2 1 985 . 1 1 A 97 97 LEU N N 97 121.721 121.144 0.577 2 1 986 . 1 1 A 98 98 GLU H H 98 8.180 8.960 -0.780 2 1 987 . 1 1 A 98 98 GLU HA H 98 3.970 3.969 0.001 2 1 989 . 1 1 A 98 98 GLU C C 98 178.852 178.996 -0.144 2 1 990 . 1 1 A 98 98 GLU CA C 98 59.074 59.442 -0.368 2 1 991 . 1 1 A 98 98 GLU CB C 98 28.376 29.275 -0.899 2 1 992 . 1 1 A 98 98 GLU N N 98 122.418 119.386 3.032 2 1 993 . 1 1 A 99 99 PHE H H 99 8.995 9.090 -0.095 2 1 994 . 1 1 A 99 99 PHE HA H 99 4.560 4.146 0.414 2 1 997 . 1 1 A 99 99 PHE C C 99 178.050 177.945 0.105 2 1 998 . 1 1 A 99 99 PHE CA C 99 57.595 61.083 -3.488 2 1 999 . 1 1 A 99 99 PHE CB C 99 36.788 39.159 -2.371 2 1 1000 . 1 1 A 99 99 PHE N N 99 118.943 120.716 -1.773 2 1 1001 . 1 1 A 100 100 THR H H 100 7.985 9.096 -1.111 2 1 1002 . 1 1 A 100 100 THR HA H 100 4.097 3.849 0.248 2 1 1007 . 1 1 A 100 100 THR CA C 100 66.567 65.610 0.957 2 1 1008 . 1 1 A 100 100 THR CB C 100 68.200 68.458 -0.258 2 1 1010 . 1 1 A 100 100 THR N N 100 117.633 113.735 3.898 2 1 1011 . 1 1 A 101 101 GLN H H 101 8.160 8.791 -0.631 2 1 1012 . 1 1 A 101 101 GLN HA H 101 4.017 4.064 -0.047 2 1 1018 . 1 1 A 101 101 GLN C C 101 179.034 177.757 1.276 2 1 1019 . 1 1 A 101 101 GLN CA C 101 58.649 58.030 0.619 2 1 1020 . 1 1 A 101 101 GLN CB C 101 27.541 28.706 -1.165 2 1 1022 . 1 1 A 101 101 GLN N N 101 122.138 120.599 1.539 2 1 1024 . 1 1 A 102 102 ALA H H 102 8.768 8.804 -0.036 2 1 1025 . 1 1 A 102 102 ALA HA H 102 4.036 4.141 -0.105 2 1 1029 . 1 1 A 102 102 ALA C C 102 178.466 178.975 -0.509 2 1 1030 . 1 1 A 102 102 ALA CA C 102 55.525 55.017 0.508 2 1 1031 . 1 1 A 102 102 ALA CB C 102 18.046 18.876 -0.830 2 1 1032 . 1 1 A 102 102 ALA N N 102 124.541 122.325 2.216 2 1 1033 . 1 1 A 103 103 GLU H H 103 8.552 9.079 -0.527 2 1 1034 . 1 1 A 103 103 GLU HA H 103 3.680 3.935 -0.255 2 1 1039 . 1 1 A 103 103 GLU C C 103 178.447 178.562 -0.115 2 1 1040 . 1 1 A 103 103 GLU CA C 103 59.802 59.281 0.521 2 1 1041 . 1 1 A 103 103 GLU CB C 103 29.672 29.078 0.594 2 1 1043 . 1 1 A 103 103 GLU N N 103 120.048 118.657 1.391 2 1 1044 . 1 1 A 104 104 ARG H H 104 8.242 8.380 -0.138 2 1 1045 . 1 1 A 104 104 ARG HA H 104 4.214 4.021 0.193 2 1 1048 . 1 1 A 104 104 ARG C C 104 178.958 178.452 0.506 2 1 1049 . 1 1 A 104 104 ARG CA C 104 58.135 59.270 -1.135 2 1 1050 . 1 1 A 104 104 ARG CB C 104 29.742 29.881 -0.139 2 1 1051 . 1 1 A 104 104 ARG N N 104 119.448 120.160 -0.712 2 1 1052 . 1 1 A 105 105 SER H H 105 8.087 7.926 0.161 2 1 1053 . 1 1 A 105 105 SER HA H 105 4.290 4.238 0.052 2 1 1056 . 1 1 A 105 105 SER CA C 105 61.917 61.623 0.294 2 1 1057 . 1 1 A 105 105 SER N N 105 117.329 114.716 2.613 2 1 1058 . 1 1 A 106 106 ILE H H 106 8.403 7.866 0.537 2 1 1059 . 1 1 A 106 106 ILE HA H 106 4.113 3.636 0.477 2 1 1069 . 1 1 A 106 106 ILE CA C 106 61.487 65.027 -3.540 2 1 1070 . 1 1 A 106 106 ILE CB C 106 35.600 37.496 -1.896 2 1 1074 . 1 1 A 106 106 ILE N N 106 124.394 121.503 2.891 2 1 1075 . 1 1 A 107 107 GLU H H 107 8.187 7.986 0.201 2 1 1076 . 1 1 A 107 107 GLU HA H 107 4.126 4.158 -0.032 2 1 1079 . 1 1 A 107 107 GLU C C 107 177.494 176.756 0.738 2 1 1080 . 1 1 A 107 107 GLU CA C 107 58.849 58.339 0.510 2 1 1081 . 1 1 A 107 107 GLU CB C 107 29.052 29.750 -0.698 2 1 1082 . 1 1 A 107 107 GLU N N 107 123.223 120.621 2.602 2 1 1083 . 1 1 A 108 108 ARG H H 108 7.651 7.940 -0.289 2 1 1084 . 1 1 A 108 108 ARG HA H 108 4.431 4.199 0.232 2 1 1090 . 1 1 A 108 108 ARG C C 108 175.927 176.456 -0.529 2 1 1091 . 1 1 A 108 108 ARG CA C 108 55.584 56.835 -1.251 2 1 1092 . 1 1 A 108 108 ARG CB C 108 30.806 29.733 1.073 2 1 1094 . 1 1 A 108 108 ARG N N 108 117.394 117.355 0.039 2 1 1095 . 1 1 A 109 109 GLY H H 109 8.190 7.914 0.276 2 1 1096 . 1 1 A 109 109 GLY HA2 H 109 4.141 4.006 0.135 2 1 1097 . 1 1 A 109 109 GLY HA3 H 109 4.060 4.009 0.051 2 1 1098 . 1 1 A 109 109 GLY C C 109 174.031 174.381 -0.350 2 1 1099 . 1 1 A 109 109 GLY CA C 109 45.823 45.657 0.166 2 1 1100 . 1 1 A 109 109 GLY N N 109 110.712 107.197 3.515 2 stop_ save_