data_18296 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18296 _Entry.PDB_ID 2LQ6 save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 18296 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_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.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 10 10 ASN N N 317 120.101 120.101 121.334 -1.233 18296 2 1 1 . 1 1 10 10 ASN HA H 317 4.501 4.501 4.998 -0.497 18296 3 1 1 . 1 1 10 10 ASN C C 317 179.015 179.015 173.907 5.108 18296 4 1 1 . 1 1 10 10 ASN CA C 317 53.191 53.191 53.123 0.068 18296 5 1 1 . 1 1 10 10 ASN CB C 317 38.650 38.650 39.647 -0.997 18296 6 1 1 . 1 1 10 10 ASN H H 317 8.415 8.415 8.387 0.028 18296 7 1 1 . 1 1 11 11 ILE N N 318 122.869 122.869 125.000 -2.131 18296 8 1 1 . 1 1 11 11 ILE HA H 318 4.250 4.250 4.361 -0.111 18296 9 1 1 . 1 1 11 11 ILE C C 318 179.506 179.506 174.071 5.435 18296 10 1 1 . 1 1 11 11 ILE CA C 318 58.332 58.332 58.606 -0.274 18296 11 1 1 . 1 1 11 11 ILE CB C 318 38.713 38.713 37.991 0.722 18296 12 1 1 . 1 1 11 11 ILE H H 318 7.924 7.924 8.518 -0.594 18296 13 1 1 . 1 1 12 12 PRO HA H 319 4.359 4.359 4.608 -0.249 18296 14 1 1 . 1 1 12 12 PRO CA C 319 61.487 61.487 61.337 0.150 18296 15 1 1 . 1 1 12 12 PRO CB C 319 30.960 30.960 31.589 -0.629 18296 16 1 1 . 1 1 13 13 PRO HA H 320 3.968 3.968 4.287 -0.319 18296 17 1 1 . 1 1 13 13 PRO C C 320 176.730 176.730 176.694 0.036 18296 18 1 1 . 1 1 13 13 PRO CA C 320 62.874 62.874 64.223 -1.349 18296 19 1 1 . 1 1 13 13 PRO CB C 320 31.948 31.948 32.051 -0.103 18296 20 1 1 . 1 1 14 14 ALA N N 321 123.469 123.469 119.022 4.447 18296 21 1 1 . 1 1 14 14 ALA HA H 321 3.952 3.952 4.506 -0.554 18296 22 1 1 . 1 1 14 14 ALA C C 321 175.208 175.208 176.643 -1.435 18296 23 1 1 . 1 1 14 14 ALA CA C 321 52.876 52.876 51.981 0.895 18296 24 1 1 . 1 1 14 14 ALA CB C 321 18.896 18.896 18.725 0.171 18296 25 1 1 . 1 1 14 14 ALA H H 321 8.108 8.108 7.552 0.556 18296 26 1 1 . 1 1 15 15 ARG N N 322 118.725 118.725 119.732 -1.007 18296 27 1 1 . 1 1 15 15 ARG HA H 322 3.943 3.943 4.282 -0.339 18296 28 1 1 . 1 1 15 15 ARG C C 322 176.870 176.870 177.104 -0.234 18296 29 1 1 . 1 1 15 15 ARG CA C 322 56.737 56.737 57.994 -1.257 18296 30 1 1 . 1 1 15 15 ARG CB C 322 30.230 30.230 30.256 -0.026 18296 31 1 1 . 1 1 15 15 ARG H H 322 8.077 8.077 8.221 -0.144 18296 32 1 1 . 1 1 16 16 TRP N N 323 120.113 120.113 119.316 0.797 18296 33 1 1 . 1 1 16 16 TRP HA H 323 4.471 4.471 4.679 -0.208 18296 34 1 1 . 1 1 16 16 TRP C C 323 177.322 177.322 175.512 1.810 18296 35 1 1 . 1 1 16 16 TRP CA C 323 57.143 57.143 54.447 2.696 18296 36 1 1 . 1 1 16 16 TRP CB C 323 29.192 29.192 26.748 2.444 18296 37 1 1 . 1 1 16 16 TRP H H 323 7.634 7.634 7.691 -0.057 18296 38 1 1 . 1 1 17 17 LYS N N 324 121.400 121.400 122.313 -0.913 18296 39 1 1 . 1 1 17 17 LYS HA H 324 3.951 3.951 4.490 -0.539 18296 40 1 1 . 1 1 17 17 LYS C C 324 179.457 179.457 176.318 3.139 18296 41 1 1 . 1 1 17 17 LYS CA C 324 56.502 56.502 54.863 1.639 18296 42 1 1 . 1 1 17 17 LYS CB C 324 32.867 32.867 35.060 -2.193 18296 43 1 1 . 1 1 17 17 LYS H H 324 7.735 7.735 8.162 -0.427 18296 44 1 1 . 1 1 18 18 LEU N N 325 121.064 121.064 120.898 0.166 18296 45 1 1 . 1 1 18 18 LEU HA H 325 4.141 4.141 4.179 -0.038 18296 46 1 1 . 1 1 18 18 LEU C C 325 176.781 176.781 175.933 0.848 18296 47 1 1 . 1 1 18 18 LEU CA C 325 54.574 54.574 54.865 -0.291 18296 48 1 1 . 1 1 18 18 LEU CB C 325 42.252 42.252 41.043 1.209 18296 49 1 1 . 1 1 18 18 LEU H H 325 7.708 7.708 8.570 -0.862 18296 50 1 1 . 1 1 19 19 THR N N 326 117.252 117.252 116.288 0.964 18296 51 1 1 . 1 1 19 19 THR HA H 326 3.935 3.935 4.524 -0.589 18296 52 1 1 . 1 1 19 19 THR C C 326 180.854 180.854 174.412 6.442 18296 53 1 1 . 1 1 19 19 THR CA C 326 61.977 61.977 61.815 0.162 18296 54 1 1 . 1 1 19 19 THR CB C 326 70.166 70.166 69.841 0.325 18296 55 1 1 . 1 1 19 19 THR H H 326 7.915 7.915 8.024 -0.109 18296 56 1 1 . 1 1 20 20 CYS N N 327 127.254 127.254 123.253 4.001 18296 57 1 1 . 1 1 20 20 CYS HA H 327 4.324 4.324 5.001 -0.677 18296 58 1 1 . 1 1 20 20 CYS C C 327 175.898 175.898 176.336 -0.438 18296 59 1 1 . 1 1 20 20 CYS CA C 327 57.928 57.928 58.095 -0.167 18296 60 1 1 . 1 1 20 20 CYS CB C 327 31.298 31.298 28.656 2.642 18296 61 1 1 . 1 1 20 20 CYS H H 327 8.055 8.055 8.649 -0.594 18296 62 1 1 . 1 1 21 21 TYR N N 328 129.752 129.752 121.467 8.285 18296 63 1 1 . 1 1 21 21 TYR HA H 328 4.488 4.488 4.717 -0.229 18296 64 1 1 . 1 1 21 21 TYR C C 328 178.625 178.625 176.442 2.183 18296 65 1 1 . 1 1 21 21 TYR CA C 328 58.951 58.951 59.334 -0.383 18296 66 1 1 . 1 1 21 21 TYR CB C 328 37.712 37.712 38.436 -0.724 18296 67 1 1 . 1 1 21 21 TYR H H 328 9.082 9.082 8.382 0.700 18296 68 1 1 . 1 1 22 22 LEU N N 329 124.057 124.057 120.712 3.345 18296 69 1 1 . 1 1 22 22 LEU HA H 329 3.749 3.749 4.189 -0.440 18296 70 1 1 . 1 1 22 22 LEU C C 329 176.268 176.268 177.326 -1.058 18296 71 1 1 . 1 1 22 22 LEU CA C 329 56.514 56.514 55.040 1.474 18296 72 1 1 . 1 1 22 22 LEU CB C 329 42.975 42.975 42.254 0.721 18296 73 1 1 . 1 1 22 22 LEU H H 329 8.140 8.140 7.794 0.346 18296 74 1 1 . 1 1 23 23 CYS N N 330 117.734 117.734 113.826 3.908 18296 75 1 1 . 1 1 23 23 CYS HA H 330 4.741 4.741 4.667 0.074 18296 76 1 1 . 1 1 23 23 CYS C C 330 177.769 177.769 172.594 5.175 18296 77 1 1 . 1 1 23 23 CYS CA C 330 58.459 58.459 57.008 1.451 18296 78 1 1 . 1 1 23 23 CYS CB C 330 30.918 30.918 30.876 0.042 18296 79 1 1 . 1 1 23 23 CYS H H 330 7.971 7.971 7.196 0.775 18296 80 1 1 . 1 1 24 24 LYS N N 331 118.437 118.437 120.510 -2.073 18296 81 1 1 . 1 1 24 24 LYS HA H 331 3.980 3.980 4.465 -0.485 18296 82 1 1 . 1 1 24 24 LYS C C 331 178.178 178.178 175.572 2.606 18296 83 1 1 . 1 1 24 24 LYS CA C 331 57.520 57.520 56.373 1.147 18296 84 1 1 . 1 1 24 24 LYS CB C 331 29.278 29.278 32.431 -3.153 18296 85 1 1 . 1 1 24 24 LYS H H 331 7.842 7.842 8.253 -0.411 18296 86 1 1 . 1 1 25 25 GLN N N 332 118.445 118.445 121.075 -2.630 18296 87 1 1 . 1 1 25 25 GLN HA H 332 4.574 4.574 4.514 0.060 18296 88 1 1 . 1 1 25 25 GLN C C 332 177.619 177.619 174.872 2.747 18296 89 1 1 . 1 1 25 25 GLN CA C 332 54.362 54.362 54.836 -0.474 18296 90 1 1 . 1 1 25 25 GLN CB C 332 31.843 31.843 29.364 2.479 18296 91 1 1 . 1 1 25 25 GLN H H 332 8.306 8.306 8.128 0.178 18296 92 1 1 . 1 1 26 26 LYS N N 333 122.851 122.851 122.195 0.656 18296 93 1 1 . 1 1 26 26 LYS HA H 333 4.222 4.222 4.193 0.029 18296 94 1 1 . 1 1 26 26 LYS C C 333 175.456 175.456 176.540 -1.084 18296 95 1 1 . 1 1 26 26 LYS CA C 333 57.729 57.729 56.792 0.937 18296 96 1 1 . 1 1 26 26 LYS CB C 333 32.925 32.925 31.271 1.654 18296 97 1 1 . 1 1 26 26 LYS H H 333 8.545 8.545 8.566 -0.021 18296 98 1 1 . 1 1 27 27 GLY N N 334 107.216 107.216 112.726 -5.510 18296 99 1 1 . 1 1 27 27 GLY C C 334 180.017 180.017 172.900 7.117 18296 100 1 1 . 1 1 27 27 GLY CA C 334 45.559 45.559 44.918 0.641 18296 101 1 1 . 1 1 27 27 GLY H H 334 8.348 8.348 8.785 -0.437 18296 102 1 1 . 1 1 28 28 VAL N N 335 117.437 117.437 120.852 -3.415 18296 103 1 1 . 1 1 28 28 VAL HA H 335 4.133 4.133 4.327 -0.194 18296 104 1 1 . 1 1 28 28 VAL C C 335 177.439 177.439 174.906 2.533 18296 105 1 1 . 1 1 28 28 VAL CA C 335 61.502 61.502 62.313 -0.811 18296 106 1 1 . 1 1 28 28 VAL CB C 335 33.563 33.563 33.059 0.503 18296 107 1 1 . 1 1 28 28 VAL H H 335 7.867 7.867 8.407 -0.540 18296 108 1 1 . 1 1 29 29 GLY N N 336 110.723 110.723 109.719 1.004 18296 109 1 1 . 1 1 29 29 GLY C C 336 180.088 180.088 173.163 6.925 18296 110 1 1 . 1 1 29 29 GLY CA C 336 44.344 44.344 45.996 -1.652 18296 111 1 1 . 1 1 29 29 GLY H H 336 8.186 8.186 8.517 -0.331 18296 112 1 1 . 1 1 30 30 ALA N N 337 122.643 122.643 124.204 -1.561 18296 113 1 1 . 1 1 30 30 ALA HA H 337 4.193 4.193 4.870 -0.677 18296 114 1 1 . 1 1 30 30 ALA C C 337 175.274 175.274 175.600 -0.326 18296 115 1 1 . 1 1 30 30 ALA CA C 337 52.904 52.904 51.787 1.117 18296 116 1 1 . 1 1 30 30 ALA CB C 337 19.677 19.677 20.925 -1.248 18296 117 1 1 . 1 1 30 30 ALA H H 337 8.269 8.269 8.044 0.225 18296 118 1 1 . 1 1 31 31 SER N N 338 117.644 117.644 116.555 1.089 18296 119 1 1 . 1 1 31 31 SER HA H 338 4.775 4.775 4.925 -0.150 18296 120 1 1 . 1 1 31 31 SER C C 338 180.923 180.923 173.376 7.547 18296 121 1 1 . 1 1 31 31 SER CA C 338 57.406 57.406 57.121 0.285 18296 122 1 1 . 1 1 31 31 SER CB C 338 65.388 65.388 64.310 1.078 18296 123 1 1 . 1 1 31 31 SER H H 338 8.415 8.415 8.407 0.008 18296 124 1 1 . 1 1 32 32 ILE N N 339 121.240 121.240 125.080 -3.840 18296 125 1 1 . 1 1 32 32 ILE HA H 339 4.123 4.123 4.200 -0.077 18296 126 1 1 . 1 1 32 32 ILE C C 339 181.302 181.302 173.923 7.379 18296 127 1 1 . 1 1 32 32 ILE CA C 339 59.768 59.768 59.368 0.400 18296 128 1 1 . 1 1 32 32 ILE CB C 339 41.252 41.252 41.412 -0.160 18296 129 1 1 . 1 1 32 32 ILE H H 339 8.522 8.522 8.427 0.095 18296 130 1 1 . 1 1 33 33 GLN N N 340 120.384 120.384 127.605 -7.221 18296 131 1 1 . 1 1 33 33 GLN HA H 340 4.335 4.335 4.984 -0.649 18296 132 1 1 . 1 1 33 33 GLN C C 340 179.377 179.377 175.038 4.339 18296 133 1 1 . 1 1 33 33 GLN CA C 340 53.739 53.739 54.005 -0.266 18296 134 1 1 . 1 1 33 33 GLN CB C 340 32.179 32.179 31.147 1.032 18296 135 1 1 . 1 1 33 33 GLN H H 340 7.720 7.720 8.197 -0.477 18296 136 1 1 . 1 1 34 34 CYS N N 341 125.463 125.463 127.540 -2.077 18296 137 1 1 . 1 1 34 34 CYS HA H 341 4.036 4.036 4.847 -0.811 18296 138 1 1 . 1 1 34 34 CYS C C 341 178.269 178.269 176.194 2.075 18296 139 1 1 . 1 1 34 34 CYS CA C 341 60.992 60.992 59.073 1.919 18296 140 1 1 . 1 1 34 34 CYS CB C 341 32.346 32.346 27.846 4.500 18296 141 1 1 . 1 1 34 34 CYS H H 341 8.292 8.292 8.671 -0.379 18296 142 1 1 . 1 1 35 35 HIS N N 342 126.611 126.611 129.292 -2.681 18296 143 1 1 . 1 1 35 35 HIS HA H 342 4.128 4.128 4.357 -0.229 18296 144 1 1 . 1 1 35 35 HIS CA C 342 57.556 57.556 57.570 -0.014 18296 145 1 1 . 1 1 35 35 HIS CB C 342 29.945 29.945 30.709 -0.764 18296 146 1 1 . 1 1 35 35 HIS H H 342 8.722 8.722 8.984 -0.262 18296 147 1 1 . 1 1 36 36 LYS N N 343 124.049 124.049 116.039 8.010 18296 148 1 1 . 1 1 36 36 LYS HA H 343 3.940 3.940 3.928 0.012 18296 149 1 1 . 1 1 36 36 LYS C C 343 176.701 176.701 176.928 -0.227 18296 150 1 1 . 1 1 36 36 LYS CA C 343 56.155 56.155 56.609 -0.454 18296 151 1 1 . 1 1 36 36 LYS CB C 343 33.033 33.033 31.181 1.852 18296 152 1 1 . 1 1 36 36 LYS H H 343 8.567 8.567 8.137 0.430 18296 153 1 1 . 1 1 37 37 ALA N N 344 130.751 130.751 127.939 2.812 18296 154 1 1 . 1 1 37 37 ALA HA H 344 3.733 3.733 3.495 0.238 18296 155 1 1 . 1 1 37 37 ALA C C 344 175.302 175.302 177.988 -2.686 18296 156 1 1 . 1 1 37 37 ALA CA C 344 53.917 53.917 54.076 -0.159 18296 157 1 1 . 1 1 37 37 ALA CB C 344 18.206 18.206 18.507 -0.301 18296 158 1 1 . 1 1 37 37 ALA H H 344 8.363 8.363 8.510 -0.147 18296 159 1 1 . 1 1 38 38 ASN N N 345 114.094 114.094 116.196 -2.102 18296 160 1 1 . 1 1 38 38 ASN HA H 345 3.885 3.885 4.618 -0.733 18296 161 1 1 . 1 1 38 38 ASN C C 345 181.195 181.195 176.568 4.627 18296 162 1 1 . 1 1 38 38 ASN CA C 345 53.606 53.606 54.928 -1.323 18296 163 1 1 . 1 1 38 38 ASN CB C 345 37.443 37.443 38.630 -1.187 18296 164 1 1 . 1 1 38 38 ASN H H 345 8.292 8.292 8.521 -0.229 18296 165 1 1 . 1 1 39 39 CYS N N 346 121.417 121.417 118.357 3.060 18296 166 1 1 . 1 1 39 39 CYS C C 346 178.723 178.723 175.266 3.457 18296 167 1 1 . 1 1 39 39 CYS H H 346 7.283 7.283 7.840 -0.557 18296 168 1 1 . 1 1 40 40 TYR HA H 347 4.212 4.212 4.257 -0.045 18296 169 1 1 . 1 1 40 40 TYR C C 347 178.156 178.156 174.420 3.736 18296 170 1 1 . 1 1 40 40 TYR CA C 347 56.478 56.478 59.154 -2.676 18296 171 1 1 . 1 1 40 40 TYR CB C 347 37.446 37.446 35.943 1.503 18296 172 1 1 . 1 1 40 40 TYR H H 347 7.923 7.923 8.105 -0.182 18296 173 1 1 . 1 1 41 41 THR N N 348 122.674 122.674 116.681 5.993 18296 174 1 1 . 1 1 41 41 THR HA H 348 3.806 3.806 4.707 -0.901 18296 175 1 1 . 1 1 41 41 THR C C 348 182.343 182.343 173.330 9.013 18296 176 1 1 . 1 1 41 41 THR CA C 348 64.932 64.932 61.922 3.010 18296 177 1 1 . 1 1 41 41 THR CB C 348 68.772 68.772 71.196 -2.424 18296 178 1 1 . 1 1 41 41 THR H H 348 8.421 8.421 7.796 0.625 18296 179 1 1 . 1 1 42 42 ALA N N 349 130.177 130.177 128.189 1.988 18296 180 1 1 . 1 1 42 42 ALA HA H 349 4.967 4.967 5.281 -0.314 18296 181 1 1 . 1 1 42 42 ALA C C 349 176.955 176.955 176.028 0.927 18296 182 1 1 . 1 1 42 42 ALA CA C 349 49.997 49.997 50.939 -0.942 18296 183 1 1 . 1 1 42 42 ALA CB C 349 23.467 23.467 21.318 2.149 18296 184 1 1 . 1 1 42 42 ALA H H 349 8.856 8.856 8.810 0.046 18296 185 1 1 . 1 1 43 43 PHE N N 350 113.053 113.053 119.418 -6.365 18296 186 1 1 . 1 1 43 43 PHE HA H 350 5.525 5.525 4.911 0.614 18296 187 1 1 . 1 1 43 43 PHE C C 350 177.894 177.894 173.618 4.276 18296 188 1 1 . 1 1 43 43 PHE CA C 350 53.625 53.625 55.424 -1.799 18296 189 1 1 . 1 1 43 43 PHE CB C 350 39.459 39.459 40.654 -1.195 18296 190 1 1 . 1 1 43 43 PHE H H 350 7.912 7.912 8.728 -0.816 18296 191 1 1 . 1 1 44 44 HIS N N 351 118.497 118.497 116.857 1.640 18296 192 1 1 . 1 1 44 44 HIS HA H 351 4.892 4.892 5.142 -0.250 18296 193 1 1 . 1 1 44 44 HIS C C 351 176.371 176.371 176.775 -0.404 18296 194 1 1 . 1 1 44 44 HIS CA C 351 58.019 58.019 55.335 2.684 18296 195 1 1 . 1 1 44 44 HIS CB C 351 31.716 31.716 31.880 -0.164 18296 196 1 1 . 1 1 44 44 HIS H H 351 9.335 9.335 8.515 0.820 18296 197 1 1 . 1 1 45 45 VAL N N 352 124.407 124.407 121.132 3.275 18296 198 1 1 . 1 1 45 45 VAL HA H 352 3.476 3.476 3.686 -0.210 18296 199 1 1 . 1 1 45 45 VAL C C 352 175.305 175.305 177.504 -2.199 18296 200 1 1 . 1 1 45 45 VAL CA C 352 67.359 67.359 67.618 -0.259 18296 201 1 1 . 1 1 45 45 VAL CB C 352 31.627 31.627 31.919 -0.292 18296 202 1 1 . 1 1 45 45 VAL H H 352 8.654 8.654 8.172 0.482 18296 203 1 1 . 1 1 46 46 THR N N 353 111.166 111.166 115.296 -4.130 18296 204 1 1 . 1 1 46 46 THR HA H 353 3.997 3.997 4.053 -0.056 18296 205 1 1 . 1 1 46 46 THR C C 353 175.010 175.010 176.365 -1.355 18296 206 1 1 . 1 1 46 46 THR CA C 353 65.008 65.008 66.074 -1.066 18296 207 1 1 . 1 1 46 46 THR CB C 353 67.830 67.830 68.668 -0.838 18296 208 1 1 . 1 1 46 46 THR H H 353 8.370 8.370 8.295 0.075 18296 209 1 1 . 1 1 47 47 CYS N N 354 120.975 120.975 119.393 1.582 18296 210 1 1 . 1 1 47 47 CYS HA H 354 3.762 3.762 4.332 -0.570 18296 211 1 1 . 1 1 47 47 CYS C C 354 175.912 175.912 176.986 -1.074 18296 212 1 1 . 1 1 47 47 CYS CA C 354 63.372 63.372 62.309 1.063 18296 213 1 1 . 1 1 47 47 CYS CB C 354 29.076 29.076 25.793 3.283 18296 214 1 1 . 1 1 47 47 CYS H H 354 6.668 6.668 8.453 -1.785 18296 215 1 1 . 1 1 48 48 ALA N N 355 123.247 123.247 123.402 -0.155 18296 216 1 1 . 1 1 48 48 ALA HA H 355 3.511 3.511 4.037 -0.526 18296 217 1 1 . 1 1 48 48 ALA C C 355 174.031 174.031 179.458 -5.427 18296 218 1 1 . 1 1 48 48 ALA CA C 355 55.045 55.045 55.318 -0.273 18296 219 1 1 . 1 1 48 48 ALA CB C 355 19.962 19.962 18.448 1.514 18296 220 1 1 . 1 1 48 48 ALA H H 355 8.481 8.481 8.419 0.062 18296 221 1 1 . 1 1 49 49 GLN N N 356 118.150 118.150 117.627 0.523 18296 222 1 1 . 1 1 49 49 GLN HA H 356 4.003 4.003 3.997 0.006 18296 223 1 1 . 1 1 49 49 GLN C C 356 173.755 173.755 178.756 -5.001 18296 224 1 1 . 1 1 49 49 GLN CA C 356 58.728 58.728 58.835 -0.107 18296 225 1 1 . 1 1 49 49 GLN CB C 356 28.196 28.196 28.787 -0.591 18296 226 1 1 . 1 1 49 49 GLN H H 356 8.055 8.055 8.133 -0.078 18296 227 1 1 . 1 1 50 50 LYS N N 357 120.248 120.248 118.282 1.966 18296 228 1 1 . 1 1 50 50 LYS HA H 357 3.866 3.866 4.170 -0.304 18296 229 1 1 . 1 1 50 50 LYS C C 357 175.624 175.624 178.158 -2.534 18296 230 1 1 . 1 1 50 50 LYS CA C 357 58.989 58.989 58.078 0.911 18296 231 1 1 . 1 1 50 50 LYS CB C 357 32.377 32.377 32.547 -0.170 18296 232 1 1 . 1 1 50 50 LYS H H 357 7.628 7.628 7.656 -0.028 18296 233 1 1 . 1 1 51 51 ALA N N 358 118.343 118.343 120.067 -1.724 18296 234 1 1 . 1 1 51 51 ALA HA H 358 4.138 4.138 4.203 -0.065 18296 235 1 1 . 1 1 51 51 ALA C C 358 176.132 176.132 178.137 -2.005 18296 236 1 1 . 1 1 51 51 ALA CA C 358 52.263 52.263 53.380 -1.117 18296 237 1 1 . 1 1 51 51 ALA CB C 358 19.690 19.690 19.782 -0.092 18296 238 1 1 . 1 1 51 51 ALA H H 358 7.558 7.558 7.699 -0.141 18296 239 1 1 . 1 1 52 52 GLY N N 359 107.058 107.058 106.855 0.203 18296 240 1 1 . 1 1 52 52 GLY C C 359 178.221 178.221 173.998 4.223 18296 241 1 1 . 1 1 52 52 GLY CA C 359 46.323 46.323 44.798 1.525 18296 242 1 1 . 1 1 52 52 GLY H H 359 7.481 7.481 8.256 -0.775 18296 243 1 1 . 1 1 53 53 LEU N N 360 118.335 118.335 116.105 2.230 18296 244 1 1 . 1 1 53 53 LEU HA H 360 4.002 4.002 4.926 -0.924 18296 245 1 1 . 1 1 53 53 LEU C C 360 176.917 176.917 176.094 0.823 18296 246 1 1 . 1 1 53 53 LEU CA C 360 54.926 54.926 52.733 2.193 18296 247 1 1 . 1 1 53 53 LEU CB C 360 39.949 39.949 43.594 -3.646 18296 248 1 1 . 1 1 53 53 LEU H H 360 7.502 7.502 7.312 0.190 18296 249 1 1 . 1 1 54 54 TYR N N 361 124.191 124.191 120.756 3.435 18296 250 1 1 . 1 1 54 54 TYR HA H 361 4.024 4.024 4.507 -0.483 18296 251 1 1 . 1 1 54 54 TYR C C 361 178.584 178.584 174.944 3.640 18296 252 1 1 . 1 1 54 54 TYR CA C 361 59.385 59.385 58.896 0.489 18296 253 1 1 . 1 1 54 54 TYR CB C 361 39.068 39.068 39.876 -0.808 18296 254 1 1 . 1 1 54 54 TYR H H 361 9.307 9.307 8.720 0.587 18296 255 1 1 . 1 1 55 55 MET N N 362 127.473 127.473 127.513 -0.040 18296 256 1 1 . 1 1 55 55 MET HA H 362 4.953 4.953 4.506 0.447 18296 257 1 1 . 1 1 55 55 MET C C 362 179.342 179.342 174.131 5.211 18296 258 1 1 . 1 1 55 55 MET CA C 362 54.918 54.918 54.112 0.806 18296 259 1 1 . 1 1 55 55 MET CB C 362 35.857 35.857 34.627 1.230 18296 260 1 1 . 1 1 55 55 MET H H 362 7.575 7.575 7.637 -0.062 18296 261 1 1 . 1 1 56 56 LYS N N 363 124.429 124.429 126.984 -2.555 18296 262 1 1 . 1 1 56 56 LYS HA H 363 4.339 4.339 4.386 -0.047 18296 263 1 1 . 1 1 56 56 LYS C C 363 178.541 178.541 175.437 3.104 18296 264 1 1 . 1 1 56 56 LYS CA C 363 54.939 54.939 55.656 -0.717 18296 265 1 1 . 1 1 56 56 LYS CB C 363 35.977 35.977 34.379 1.598 18296 266 1 1 . 1 1 56 56 LYS H H 363 8.575 8.575 8.139 0.436 18296 267 1 1 . 1 1 57 57 MET N N 364 123.350 123.350 121.837 1.513 18296 268 1 1 . 1 1 57 57 MET HA H 364 4.801 4.801 4.635 0.166 18296 269 1 1 . 1 1 57 57 MET C C 364 178.016 178.016 174.832 3.184 18296 270 1 1 . 1 1 57 57 MET CA C 364 54.111 54.111 55.069 -0.958 18296 271 1 1 . 1 1 57 57 MET H H 364 8.484 8.484 8.395 0.089 18296 272 1 1 . 1 1 58 58 GLU N N 365 121.319 121.319 120.650 0.669 18296 273 1 1 . 1 1 58 58 GLU H H 365 8.193 8.193 8.881 -0.688 18296 274 1 1 . 1 1 59 59 PRO HA H 366 4.665 4.665 4.228 0.437 18296 275 1 1 . 1 1 59 59 PRO C C 366 176.742 176.742 176.539 0.203 18296 276 1 1 . 1 1 59 59 PRO CA C 366 62.524 62.524 62.949 -0.425 18296 277 1 1 . 1 1 59 59 PRO CB C 366 32.125 32.125 31.995 0.130 18296 278 1 1 . 1 1 60 60 VAL N N 367 122.754 122.754 118.092 4.662 18296 279 1 1 . 1 1 60 60 VAL HA H 367 4.105 4.105 4.549 -0.444 18296 280 1 1 . 1 1 60 60 VAL C C 367 178.435 178.435 174.497 3.938 18296 281 1 1 . 1 1 60 60 VAL CA C 367 61.529 61.529 60.251 1.278 18296 282 1 1 . 1 1 60 60 VAL CB C 367 34.057 34.057 32.576 1.481 18296 283 1 1 . 1 1 60 60 VAL H H 367 8.509 8.509 7.919 0.590 18296 284 1 1 . 1 1 61 61 LYS N N 368 126.381 126.381 128.787 -2.406 18296 285 1 1 . 1 1 61 61 LYS HA H 368 4.180 4.180 4.423 -0.243 18296 286 1 1 . 1 1 61 61 LYS C C 368 177.499 177.499 176.212 1.287 18296 287 1 1 . 1 1 61 61 LYS CA C 368 56.047 56.047 55.360 0.687 18296 288 1 1 . 1 1 61 61 LYS CB C 368 33.313 33.313 33.399 -0.086 18296 289 1 1 . 1 1 61 61 LYS H H 368 8.379 8.379 8.665 -0.286 18296 290 1 1 . 1 1 62 62 GLU N N 369 123.927 123.927 122.360 1.567 18296 291 1 1 . 1 1 62 62 GLU HA H 369 4.246 4.246 4.057 0.189 18296 292 1 1 . 1 1 62 62 GLU C C 369 177.861 177.861 174.754 3.107 18296 293 1 1 . 1 1 62 62 GLU CA C 369 55.596 55.596 57.792 -2.196 18296 294 1 1 . 1 1 62 62 GLU CB C 369 31.289 31.289 29.672 1.617 18296 295 1 1 . 1 1 62 62 GLU H H 369 8.355 8.355 8.784 -0.429 18296 296 1 1 . 1 1 63 63 LEU N N 370 124.406 124.406 113.917 10.489 18296 297 1 1 . 1 1 63 63 LEU HA H 370 4.356 4.356 4.971 -0.615 18296 298 1 1 . 1 1 63 63 LEU C C 370 176.026 176.026 177.091 -1.065 18296 299 1 1 . 1 1 63 63 LEU CA C 370 55.223 55.223 54.583 0.640 18296 300 1 1 . 1 1 63 63 LEU CB C 370 42.061 42.061 41.772 0.289 18296 301 1 1 . 1 1 63 63 LEU H H 370 8.419 8.419 8.344 0.075 18296 302 1 1 . 1 1 64 64 THR N N 371 114.722 114.722 116.392 -1.670 18296 303 1 1 . 1 1 64 64 THR HA H 371 4.306 4.306 4.516 -0.210 18296 304 1 1 . 1 1 64 64 THR C C 371 178.158 178.158 174.294 3.864 18296 305 1 1 . 1 1 64 64 THR CA C 371 61.196 61.196 61.671 -0.475 18296 306 1 1 . 1 1 64 64 THR CB C 371 70.416 70.416 68.984 1.432 18296 307 1 1 . 1 1 64 64 THR H H 371 7.966 7.966 7.421 0.545 18296 308 1 1 . 1 1 65 65 GLY N N 372 111.711 111.711 115.530 -3.819 18296 309 1 1 . 1 1 65 65 GLY C C 372 178.512 178.512 173.880 4.632 18296 310 1 1 . 1 1 65 65 GLY CA C 372 46.227 46.227 44.643 1.584 18296 311 1 1 . 1 1 65 65 GLY H H 372 8.565 8.565 8.299 0.266 18296 312 1 1 . 1 1 66 66 GLY N N 373 108.771 108.771 107.725 1.046 18296 313 1 1 . 1 1 66 66 GLY C C 373 178.999 178.999 174.075 4.924 18296 314 1 1 . 1 1 66 66 GLY CA C 373 45.287 45.287 44.370 0.917 18296 315 1 1 . 1 1 66 66 GLY H H 373 8.227 8.227 7.951 0.276 18296 316 1 1 . 1 1 67 67 GLY N N 374 108.901 108.901 110.598 -1.697 18296 317 1 1 . 1 1 67 67 GLY C C 374 179.721 179.721 172.698 7.023 18296 318 1 1 . 1 1 67 67 GLY CA C 374 44.987 44.987 44.679 0.308 18296 319 1 1 . 1 1 67 67 GLY H H 374 7.876 7.876 8.147 -0.271 18296 320 1 1 . 1 1 68 68 THR N N 375 114.505 114.505 116.596 -2.091 18296 321 1 1 . 1 1 68 68 THR HA H 375 4.450 4.450 4.625 -0.175 18296 322 1 1 . 1 1 68 68 THR C C 375 178.997 178.997 173.108 5.889 18296 323 1 1 . 1 1 68 68 THR CA C 375 61.900 61.900 61.590 0.310 18296 324 1 1 . 1 1 68 68 THR CB C 375 70.047 70.047 70.672 -0.625 18296 325 1 1 . 1 1 68 68 THR H H 375 8.112 8.112 8.249 -0.137 18296 326 1 1 . 1 1 69 69 THR N N 376 118.054 118.054 113.928 4.126 18296 327 1 1 . 1 1 69 69 THR HA H 376 4.302 4.302 4.006 0.296 18296 328 1 1 . 1 1 69 69 THR C C 376 180.403 180.403 174.152 6.251 18296 329 1 1 . 1 1 69 69 THR CA C 376 61.114 61.114 62.332 -1.218 18296 330 1 1 . 1 1 69 69 THR CB C 376 70.422 70.422 69.243 1.179 18296 331 1 1 . 1 1 69 69 THR H H 376 8.259 8.259 8.181 0.078 18296 332 1 1 . 1 1 70 70 PHE N N 377 122.009 122.009 126.729 -4.720 18296 333 1 1 . 1 1 70 70 PHE HA H 377 4.910 4.910 4.201 0.709 18296 334 1 1 . 1 1 70 70 PHE C C 377 177.972 177.972 174.918 3.054 18296 335 1 1 . 1 1 70 70 PHE CA C 377 57.227 57.227 59.951 -2.724 18296 336 1 1 . 1 1 70 70 PHE CB C 377 40.873 40.873 39.215 1.658 18296 337 1 1 . 1 1 70 70 PHE H H 377 8.351 8.351 8.702 -0.351 18296 338 1 1 . 1 1 71 71 SER N N 378 117.853 117.853 121.261 -3.408 18296 339 1 1 . 1 1 71 71 SER HA H 378 4.493 4.493 4.639 -0.146 18296 340 1 1 . 1 1 71 71 SER C C 378 180.063 180.063 172.315 7.748 18296 341 1 1 . 1 1 71 71 SER CA C 378 57.276 57.276 57.323 -0.047 18296 342 1 1 . 1 1 71 71 SER CB C 378 64.612 64.612 66.351 -1.739 18296 343 1 1 . 1 1 71 71 SER H H 378 8.519 8.519 8.751 -0.232 18296 344 1 1 . 1 1 72 72 VAL N N 379 120.162 120.162 120.288 -0.126 18296 345 1 1 . 1 1 72 72 VAL HA H 379 4.441 4.441 4.231 0.210 18296 346 1 1 . 1 1 72 72 VAL C C 379 178.192 178.192 174.559 3.633 18296 347 1 1 . 1 1 72 72 VAL CA C 379 61.369 61.369 60.872 0.497 18296 348 1 1 . 1 1 72 72 VAL CB C 379 33.944 33.944 33.861 0.083 18296 349 1 1 . 1 1 72 72 VAL H H 379 8.277 8.277 8.276 0.001 18296 350 1 1 . 1 1 73 73 ARG N N 380 126.538 126.538 125.301 1.237 18296 351 1 1 . 1 1 73 73 ARG HA H 380 4.430 4.430 4.527 -0.097 18296 352 1 1 . 1 1 73 73 ARG C C 380 177.524 177.524 174.348 3.176 18296 353 1 1 . 1 1 73 73 ARG CA C 380 54.744 54.744 54.974 -0.230 18296 354 1 1 . 1 1 73 73 ARG CB C 380 32.635 32.635 32.664 -0.029 18296 355 1 1 . 1 1 73 73 ARG H H 380 8.727 8.727 8.443 0.284 18296 356 1 1 . 1 1 74 74 LYS N N 381 126.485 126.485 124.697 1.788 18296 357 1 1 . 1 1 74 74 LYS HA H 381 4.613 4.613 4.629 -0.016 18296 358 1 1 . 1 1 74 74 LYS C C 381 178.050 178.050 175.431 2.619 18296 359 1 1 . 1 1 74 74 LYS CA C 381 56.325 56.325 55.504 0.821 18296 360 1 1 . 1 1 74 74 LYS CB C 381 33.149 33.149 36.216 -3.067 18296 361 1 1 . 1 1 74 74 LYS H H 381 8.636 8.636 8.430 0.206 18296 362 1 1 . 1 1 75 75 THR N N 382 120.767 120.767 120.382 0.385 18296 363 1 1 . 1 1 75 75 THR HA H 382 3.791 3.791 4.321 -0.530 18296 364 1 1 . 1 1 75 75 THR C C 382 181.578 181.578 172.792 8.786 18296 365 1 1 . 1 1 75 75 THR CA C 382 61.703 61.703 61.625 0.078 18296 366 1 1 . 1 1 75 75 THR CB C 382 70.771 70.771 68.161 2.610 18296 367 1 1 . 1 1 75 75 THR H H 382 8.544 8.544 8.165 0.379 18296 368 1 1 . 1 1 76 76 ALA N N 383 126.390 126.390 129.608 -3.218 18296 369 1 1 . 1 1 76 76 ALA HA H 383 5.358 5.358 4.670 0.688 18296 370 1 1 . 1 1 76 76 ALA C C 383 178.931 178.931 175.722 3.209 18296 371 1 1 . 1 1 76 76 ALA CA C 383 50.669 50.669 50.482 0.187 18296 372 1 1 . 1 1 76 76 ALA CB C 383 24.682 24.682 21.316 3.366 18296 373 1 1 . 1 1 76 76 ALA H H 383 7.981 7.981 8.122 -0.141 18296 374 1 1 . 1 1 77 77 TYR N N 384 116.182 116.182 121.817 -5.635 18296 375 1 1 . 1 1 77 77 TYR HA H 384 5.920 5.920 4.885 1.035 18296 376 1 1 . 1 1 77 77 TYR C C 384 177.384 177.384 176.548 0.836 18296 377 1 1 . 1 1 77 77 TYR CA C 384 56.234 56.234 57.142 -0.908 18296 378 1 1 . 1 1 77 77 TYR CB C 384 43.201 43.201 40.562 2.639 18296 379 1 1 . 1 1 77 77 TYR H H 384 7.899 7.899 7.910 -0.011 18296 380 1 1 . 1 1 78 78 CYS N N 385 121.146 121.146 118.101 3.045 18296 381 1 1 . 1 1 78 78 CYS HA H 385 4.312 4.312 3.877 0.435 18296 382 1 1 . 1 1 78 78 CYS C C 385 178.543 178.543 176.174 2.369 18296 383 1 1 . 1 1 78 78 CYS CA C 385 58.293 58.293 58.173 0.120 18296 384 1 1 . 1 1 78 78 CYS CB C 385 29.815 29.815 28.993 0.822 18296 385 1 1 . 1 1 78 78 CYS H H 385 9.855 9.855 8.506 1.349 18296 386 1 1 . 1 1 79 79 ASP N N 386 115.334 115.334 120.433 -5.099 18296 387 1 1 . 1 1 79 79 ASP HA H 386 3.946 3.946 4.592 -0.646 18296 388 1 1 . 1 1 79 79 ASP C C 386 175.510 175.510 177.249 -1.739 18296 389 1 1 . 1 1 79 79 ASP CA C 386 57.118 57.118 55.839 1.279 18296 390 1 1 . 1 1 79 79 ASP CB C 386 40.495 40.495 41.252 -0.757 18296 391 1 1 . 1 1 79 79 ASP H H 386 7.657 7.657 8.166 -0.509 18296 392 1 1 . 1 1 80 80 VAL N N 387 119.872 119.872 113.977 5.895 18296 393 1 1 . 1 1 80 80 VAL HA H 387 3.579 3.579 4.210 -0.630 18296 394 1 1 . 1 1 80 80 VAL C C 387 176.437 176.437 176.056 0.381 18296 395 1 1 . 1 1 80 80 VAL CA C 387 64.272 64.272 61.405 2.867 18296 396 1 1 . 1 1 80 80 VAL CB C 387 31.798 31.798 30.770 1.028 18296 397 1 1 . 1 1 80 80 VAL H H 387 7.601 7.601 7.183 0.418 18296 398 1 1 . 1 1 81 81 HIS N N 388 119.244 119.244 117.873 1.371 18296 399 1 1 . 1 1 81 81 HIS HA H 388 4.632 4.632 4.530 0.102 18296 400 1 1 . 1 1 81 81 HIS C C 388 180.644 180.644 175.917 4.727 18296 401 1 1 . 1 1 81 81 HIS CA C 388 56.212 56.212 58.240 -2.028 18296 402 1 1 . 1 1 81 81 HIS CB C 388 31.774 31.774 31.547 0.227 18296 403 1 1 . 1 1 81 81 HIS H H 388 7.385 7.385 7.587 -0.202 18296 404 1 1 . 1 1 82 82 THR N N 389 117.899 117.899 113.714 4.185 18296 405 1 1 . 1 1 82 82 THR HA H 389 3.733 3.733 4.465 -0.732 18296 406 1 1 . 1 1 82 82 THR C C 389 181.155 181.155 174.335 6.820 18296 407 1 1 . 1 1 82 82 THR CA C 389 61.844 61.844 64.468 -2.624 18296 408 1 1 . 1 1 82 82 THR CB C 389 70.285 70.285 67.752 2.533 18296 409 1 1 . 1 1 82 82 THR H H 389 7.133 7.133 8.139 -1.006 18296 410 1 1 . 1 1 83 83 PRO HA H 390 4.192 4.192 4.392 -0.200 18296 411 1 1 . 1 1 83 83 PRO CA C 390 61.509 61.509 64.359 -2.850 18296 412 1 1 . 1 1 83 83 PRO CB C 390 30.773 30.773 30.605 0.168 18296 413 1 1 . 1 1 84 84 PRO HA H 391 4.220 4.220 4.442 -0.222 18296 414 1 1 . 1 1 84 84 PRO C C 391 175.949 175.949 176.524 -0.575 18296 415 1 1 . 1 1 84 84 PRO CA C 391 63.032 63.032 62.243 0.789 18296 416 1 1 . 1 1 84 84 PRO CB C 391 31.983 31.983 32.220 -0.237 18296 417 1 1 . 1 1 85 85 GLY N N 392 109.626 109.626 106.382 3.244 18296 418 1 1 . 1 1 85 85 GLY C C 392 179.223 179.223 174.310 4.913 18296 419 1 1 . 1 1 85 85 GLY CA C 392 45.359 45.359 44.960 0.399 18296 420 1 1 . 1 1 85 85 GLY H H 392 8.367 8.367 8.270 0.097 18296 421 1 1 . 1 1 86 86 SER N N 393 115.675 115.675 116.290 -0.615 18296 422 1 1 . 1 1 86 86 SER HA H 393 4.354 4.354 4.377 -0.023 18296 423 1 1 . 1 1 86 86 SER C C 393 179.569 179.569 175.134 4.435 18296 424 1 1 . 1 1 86 86 SER CA C 393 58.521 58.521 59.346 -0.825 18296 425 1 1 . 1 1 86 86 SER CB C 393 63.913 63.913 63.518 0.395 18296 426 1 1 . 1 1 86 86 SER H H 393 8.022 8.022 8.188 -0.166 18296 427 1 2 . 1 1 10 10 ASN N N 317 120.101 120.101 118.515 1.586 18296 428 1 2 . 1 1 10 10 ASN HA H 317 4.501 4.501 5.323 -0.822 18296 429 1 2 . 1 1 10 10 ASN C C 317 179.015 179.015 173.525 5.490 18296 430 1 2 . 1 1 10 10 ASN CA C 317 53.191 53.191 52.325 0.866 18296 431 1 2 . 1 1 10 10 ASN CB C 317 38.650 38.650 41.173 -2.523 18296 432 1 2 . 1 1 10 10 ASN H H 317 8.415 8.415 8.693 -0.278 18296 433 1 2 . 1 1 11 11 ILE N N 318 122.869 122.869 121.705 1.164 18296 434 1 2 . 1 1 11 11 ILE HA H 318 4.250 4.250 4.403 -0.153 18296 435 1 2 . 1 1 11 11 ILE C C 318 179.506 179.506 173.888 5.618 18296 436 1 2 . 1 1 11 11 ILE CA C 318 58.332 58.332 59.085 -0.753 18296 437 1 2 . 1 1 11 11 ILE CB C 318 38.713 38.713 39.272 -0.559 18296 438 1 2 . 1 1 11 11 ILE H H 318 7.924 7.924 8.327 -0.403 18296 439 1 2 . 1 1 12 12 PRO HA H 319 4.359 4.359 4.557 -0.198 18296 440 1 2 . 1 1 12 12 PRO CA C 319 61.487 61.487 61.698 -0.211 18296 441 1 2 . 1 1 12 12 PRO CB C 319 30.960 30.960 31.365 -0.405 18296 442 1 2 . 1 1 13 13 PRO HA H 320 3.968 3.968 4.209 -0.241 18296 443 1 2 . 1 1 13 13 PRO C C 320 176.730 176.730 175.841 0.889 18296 444 1 2 . 1 1 13 13 PRO CA C 320 62.874 62.874 63.284 -0.410 18296 445 1 2 . 1 1 13 13 PRO CB C 320 31.948 31.948 30.890 1.058 18296 446 1 2 . 1 1 14 14 ALA N N 321 123.469 123.469 127.451 -3.982 18296 447 1 2 . 1 1 14 14 ALA HA H 321 3.952 3.952 4.142 -0.190 18296 448 1 2 . 1 1 14 14 ALA C C 321 175.208 175.208 176.008 -0.800 18296 449 1 2 . 1 1 14 14 ALA CA C 321 52.876 52.876 52.103 0.773 18296 450 1 2 . 1 1 14 14 ALA CB C 321 18.896 18.896 18.983 -0.087 18296 451 1 2 . 1 1 14 14 ALA H H 321 8.108 8.108 7.832 0.276 18296 452 1 2 . 1 1 15 15 ARG N N 322 118.725 118.725 118.685 0.040 18296 453 1 2 . 1 1 15 15 ARG HA H 322 3.943 3.943 4.109 -0.166 18296 454 1 2 . 1 1 15 15 ARG C C 322 176.870 176.870 175.883 0.987 18296 455 1 2 . 1 1 15 15 ARG CA C 322 56.737 56.737 57.163 -0.426 18296 456 1 2 . 1 1 15 15 ARG CB C 322 30.230 30.230 29.528 0.702 18296 457 1 2 . 1 1 15 15 ARG H H 322 8.077 8.077 8.022 0.055 18296 458 1 2 . 1 1 16 16 TRP N N 323 120.113 120.113 121.544 -1.431 18296 459 1 2 . 1 1 16 16 TRP HA H 323 4.471 4.471 4.928 -0.457 18296 460 1 2 . 1 1 16 16 TRP C C 323 177.322 177.322 176.059 1.263 18296 461 1 2 . 1 1 16 16 TRP CA C 323 57.143 57.143 55.256 1.887 18296 462 1 2 . 1 1 16 16 TRP CB C 323 29.192 29.192 27.257 1.935 18296 463 1 2 . 1 1 16 16 TRP H H 323 7.634 7.634 8.622 -0.988 18296 464 1 2 . 1 1 17 17 LYS N N 324 121.400 121.400 121.471 -0.071 18296 465 1 2 . 1 1 17 17 LYS HA H 324 3.951 3.951 4.737 -0.786 18296 466 1 2 . 1 1 17 17 LYS C C 324 179.457 179.457 175.816 3.641 18296 467 1 2 . 1 1 17 17 LYS CA C 324 56.502 56.502 55.116 1.386 18296 468 1 2 . 1 1 17 17 LYS CB C 324 32.867 32.867 35.315 -2.448 18296 469 1 2 . 1 1 17 17 LYS H H 324 7.735 7.735 8.040 -0.305 18296 470 1 2 . 1 1 18 18 LEU N N 325 121.064 121.064 122.939 -1.875 18296 471 1 2 . 1 1 18 18 LEU HA H 325 4.141 4.141 4.558 -0.417 18296 472 1 2 . 1 1 18 18 LEU C C 325 176.781 176.781 175.121 1.660 18296 473 1 2 . 1 1 18 18 LEU CA C 325 54.574 54.574 54.423 0.151 18296 474 1 2 . 1 1 18 18 LEU CB C 325 42.252 42.252 41.779 0.473 18296 475 1 2 . 1 1 18 18 LEU H H 325 7.708 7.708 8.537 -0.829 18296 476 1 2 . 1 1 19 19 THR N N 326 117.252 117.252 117.482 -0.230 18296 477 1 2 . 1 1 19 19 THR HA H 326 3.935 3.935 4.541 -0.606 18296 478 1 2 . 1 1 19 19 THR C C 326 180.854 180.854 172.886 7.968 18296 479 1 2 . 1 1 19 19 THR CA C 326 61.977 61.977 60.886 1.091 18296 480 1 2 . 1 1 19 19 THR CB C 326 70.166 70.166 71.632 -1.466 18296 481 1 2 . 1 1 19 19 THR H H 326 7.915 7.915 7.675 0.240 18296 482 1 2 . 1 1 20 20 CYS N N 327 127.254 127.254 125.866 1.388 18296 483 1 2 . 1 1 20 20 CYS HA H 327 4.324 4.324 4.891 -0.567 18296 484 1 2 . 1 1 20 20 CYS C C 327 175.898 175.898 176.735 -0.837 18296 485 1 2 . 1 1 20 20 CYS CA C 327 57.928 57.928 57.640 0.288 18296 486 1 2 . 1 1 20 20 CYS CB C 327 31.298 31.298 26.867 4.431 18296 487 1 2 . 1 1 20 20 CYS H H 327 8.055 8.055 8.724 -0.669 18296 488 1 2 . 1 1 21 21 TYR N N 328 129.752 129.752 127.251 2.501 18296 489 1 2 . 1 1 21 21 TYR HA H 328 4.488 4.488 4.375 0.113 18296 490 1 2 . 1 1 21 21 TYR C C 328 178.625 178.625 176.356 2.269 18296 491 1 2 . 1 1 21 21 TYR CA C 328 58.951 58.951 59.631 -0.680 18296 492 1 2 . 1 1 21 21 TYR CB C 328 37.712 37.712 37.647 0.065 18296 493 1 2 . 1 1 21 21 TYR H H 328 9.082 9.082 8.671 0.411 18296 494 1 2 . 1 1 22 22 LEU N N 329 124.057 124.057 118.004 6.053 18296 495 1 2 . 1 1 22 22 LEU HA H 329 3.749 3.749 4.452 -0.703 18296 496 1 2 . 1 1 22 22 LEU C C 329 176.268 176.268 176.360 -0.092 18296 497 1 2 . 1 1 22 22 LEU CA C 329 56.514 56.514 55.171 1.343 18296 498 1 2 . 1 1 22 22 LEU CB C 329 42.975 42.975 42.220 0.755 18296 499 1 2 . 1 1 22 22 LEU H H 329 8.140 8.140 7.449 0.691 18296 500 1 2 . 1 1 23 23 CYS N N 330 117.734 117.734 116.657 1.077 18296 501 1 2 . 1 1 23 23 CYS HA H 330 4.741 4.741 4.778 -0.037 18296 502 1 2 . 1 1 23 23 CYS C C 330 177.769 177.769 172.870 4.899 18296 503 1 2 . 1 1 23 23 CYS CA C 330 58.459 58.459 57.090 1.369 18296 504 1 2 . 1 1 23 23 CYS CB C 330 30.918 30.918 30.515 0.403 18296 505 1 2 . 1 1 23 23 CYS H H 330 7.971 7.971 7.659 0.312 18296 506 1 2 . 1 1 24 24 LYS N N 331 118.437 118.437 120.232 -1.795 18296 507 1 2 . 1 1 24 24 LYS HA H 331 3.980 3.980 4.512 -0.532 18296 508 1 2 . 1 1 24 24 LYS C C 331 178.178 178.178 176.095 2.083 18296 509 1 2 . 1 1 24 24 LYS CA C 331 57.520 57.520 56.737 0.783 18296 510 1 2 . 1 1 24 24 LYS CB C 331 29.278 29.278 32.658 -3.380 18296 511 1 2 . 1 1 24 24 LYS H H 331 7.842 7.842 8.634 -0.792 18296 512 1 2 . 1 1 25 25 GLN N N 332 118.445 118.445 118.580 -0.135 18296 513 1 2 . 1 1 25 25 GLN HA H 332 4.574 4.574 4.508 0.066 18296 514 1 2 . 1 1 25 25 GLN C C 332 177.619 177.619 175.550 2.069 18296 515 1 2 . 1 1 25 25 GLN CA C 332 54.362 54.362 55.327 -0.965 18296 516 1 2 . 1 1 25 25 GLN CB C 332 31.843 31.843 29.288 2.555 18296 517 1 2 . 1 1 25 25 GLN H H 332 8.306 8.306 8.306 -0.000 18296 518 1 2 . 1 1 26 26 LYS N N 333 122.851 122.851 117.224 5.627 18296 519 1 2 . 1 1 26 26 LYS HA H 333 4.222 4.222 3.971 0.251 18296 520 1 2 . 1 1 26 26 LYS C C 333 175.456 175.456 176.967 -1.511 18296 521 1 2 . 1 1 26 26 LYS CA C 333 57.729 57.729 57.129 0.600 18296 522 1 2 . 1 1 26 26 LYS CB C 333 32.925 32.925 31.578 1.347 18296 523 1 2 . 1 1 26 26 LYS H H 333 8.545 8.545 7.953 0.592 18296 524 1 2 . 1 1 27 27 GLY N N 334 107.216 107.216 107.352 -0.136 18296 525 1 2 . 1 1 27 27 GLY C C 334 180.017 180.017 174.725 5.292 18296 526 1 2 . 1 1 27 27 GLY CA C 334 45.559 45.559 45.674 -0.115 18296 527 1 2 . 1 1 27 27 GLY H H 334 8.348 8.348 8.414 -0.066 18296 528 1 2 . 1 1 28 28 VAL N N 335 117.437 117.437 120.330 -2.893 18296 529 1 2 . 1 1 28 28 VAL HA H 335 4.133 4.133 4.375 -0.242 18296 530 1 2 . 1 1 28 28 VAL C C 335 177.439 177.439 176.233 1.206 18296 531 1 2 . 1 1 28 28 VAL CA C 335 61.502 61.502 62.341 -0.839 18296 532 1 2 . 1 1 28 28 VAL CB C 335 33.563 33.563 32.616 0.947 18296 533 1 2 . 1 1 28 28 VAL H H 335 7.867 7.867 8.256 -0.389 18296 534 1 2 . 1 1 29 29 GLY N N 336 110.723 110.723 110.112 0.611 18296 535 1 2 . 1 1 29 29 GLY C C 336 180.088 180.088 173.801 6.287 18296 536 1 2 . 1 1 29 29 GLY CA C 336 44.344 44.344 45.751 -1.407 18296 537 1 2 . 1 1 29 29 GLY H H 336 8.186 8.186 8.519 -0.333 18296 538 1 2 . 1 1 30 30 ALA N N 337 122.643 122.643 125.512 -2.869 18296 539 1 2 . 1 1 30 30 ALA HA H 337 4.193 4.193 4.798 -0.605 18296 540 1 2 . 1 1 30 30 ALA C C 337 175.274 175.274 176.200 -0.926 18296 541 1 2 . 1 1 30 30 ALA CA C 337 52.904 52.904 50.882 2.022 18296 542 1 2 . 1 1 30 30 ALA CB C 337 19.677 19.677 19.847 -0.170 18296 543 1 2 . 1 1 30 30 ALA H H 337 8.269 8.269 7.922 0.347 18296 544 1 2 . 1 1 31 31 SER N N 338 117.644 117.644 117.253 0.391 18296 545 1 2 . 1 1 31 31 SER HA H 338 4.775 4.775 5.298 -0.523 18296 546 1 2 . 1 1 31 31 SER C C 338 180.923 180.923 173.460 7.463 18296 547 1 2 . 1 1 31 31 SER CA C 338 57.406 57.406 57.023 0.383 18296 548 1 2 . 1 1 31 31 SER CB C 338 65.388 65.388 65.250 0.138 18296 549 1 2 . 1 1 31 31 SER H H 338 8.415 8.415 8.480 -0.065 18296 550 1 2 . 1 1 32 32 ILE N N 339 121.240 121.240 121.583 -0.343 18296 551 1 2 . 1 1 32 32 ILE HA H 339 4.123 4.123 4.234 -0.111 18296 552 1 2 . 1 1 32 32 ILE C C 339 181.302 181.302 173.290 8.012 18296 553 1 2 . 1 1 32 32 ILE CA C 339 59.768 59.768 60.102 -0.334 18296 554 1 2 . 1 1 32 32 ILE CB C 339 41.252 41.252 41.889 -0.637 18296 555 1 2 . 1 1 32 32 ILE H H 339 8.522 8.522 8.882 -0.360 18296 556 1 2 . 1 1 33 33 GLN N N 340 120.384 120.384 126.118 -5.734 18296 557 1 2 . 1 1 33 33 GLN HA H 340 4.335 4.335 5.099 -0.764 18296 558 1 2 . 1 1 33 33 GLN C C 340 179.377 179.377 174.794 4.583 18296 559 1 2 . 1 1 33 33 GLN CA C 340 53.739 53.739 54.223 -0.484 18296 560 1 2 . 1 1 33 33 GLN CB C 340 32.179 32.179 31.457 0.722 18296 561 1 2 . 1 1 33 33 GLN H H 340 7.720 7.720 8.246 -0.526 18296 562 1 2 . 1 1 34 34 CYS N N 341 125.463 125.463 126.499 -1.036 18296 563 1 2 . 1 1 34 34 CYS HA H 341 4.036 4.036 5.029 -0.993 18296 564 1 2 . 1 1 34 34 CYS C C 341 178.269 178.269 176.454 1.815 18296 565 1 2 . 1 1 34 34 CYS CA C 341 60.992 60.992 58.886 2.106 18296 566 1 2 . 1 1 34 34 CYS CB C 341 32.346 32.346 28.026 4.320 18296 567 1 2 . 1 1 34 34 CYS H H 341 8.292 8.292 8.720 -0.428 18296 568 1 2 . 1 1 35 35 HIS N N 342 126.611 126.611 127.101 -0.490 18296 569 1 2 . 1 1 35 35 HIS HA H 342 4.128 4.128 4.369 -0.241 18296 570 1 2 . 1 1 35 35 HIS CA C 342 57.556 57.556 57.200 0.356 18296 571 1 2 . 1 1 35 35 HIS CB C 342 29.945 29.945 31.287 -1.342 18296 572 1 2 . 1 1 35 35 HIS H H 342 8.722 8.722 8.455 0.267 18296 573 1 2 . 1 1 36 36 LYS N N 343 124.049 124.049 116.172 7.877 18296 574 1 2 . 1 1 36 36 LYS HA H 343 3.940 3.940 3.938 0.002 18296 575 1 2 . 1 1 36 36 LYS C C 343 176.701 176.701 175.590 1.111 18296 576 1 2 . 1 1 36 36 LYS CA C 343 56.155 56.155 56.468 -0.313 18296 577 1 2 . 1 1 36 36 LYS CB C 343 33.033 33.033 33.006 0.027 18296 578 1 2 . 1 1 36 36 LYS H H 343 8.567 8.567 8.151 0.416 18296 579 1 2 . 1 1 37 37 ALA N N 344 130.751 130.751 127.860 2.891 18296 580 1 2 . 1 1 37 37 ALA HA H 344 3.733 3.733 3.333 0.400 18296 581 1 2 . 1 1 37 37 ALA C C 344 175.302 175.302 177.364 -2.062 18296 582 1 2 . 1 1 37 37 ALA CA C 344 53.917 53.917 53.479 0.438 18296 583 1 2 . 1 1 37 37 ALA CB C 344 18.206 18.206 18.559 -0.353 18296 584 1 2 . 1 1 37 37 ALA H H 344 8.363 8.363 8.513 -0.150 18296 585 1 2 . 1 1 38 38 ASN N N 345 114.094 114.094 116.619 -2.525 18296 586 1 2 . 1 1 38 38 ASN HA H 345 3.885 3.885 4.545 -0.660 18296 587 1 2 . 1 1 38 38 ASN C C 345 181.195 181.195 176.392 4.803 18296 588 1 2 . 1 1 38 38 ASN CA C 345 53.606 53.606 55.026 -1.420 18296 589 1 2 . 1 1 38 38 ASN CB C 345 37.443 37.443 38.465 -1.022 18296 590 1 2 . 1 1 38 38 ASN H H 345 8.292 8.292 8.345 -0.053 18296 591 1 2 . 1 1 39 39 CYS N N 346 121.417 121.417 118.373 3.044 18296 592 1 2 . 1 1 39 39 CYS C C 346 178.723 178.723 175.727 2.996 18296 593 1 2 . 1 1 39 39 CYS H H 346 7.283 7.283 7.782 -0.499 18296 594 1 2 . 1 1 40 40 TYR HA H 347 4.212 4.212 4.218 -0.006 18296 595 1 2 . 1 1 40 40 TYR C C 347 178.156 178.156 174.427 3.729 18296 596 1 2 . 1 1 40 40 TYR CA C 347 56.478 56.478 59.094 -2.616 18296 597 1 2 . 1 1 40 40 TYR CB C 347 37.446 37.446 35.569 1.877 18296 598 1 2 . 1 1 40 40 TYR H H 347 7.923 7.923 7.986 -0.063 18296 599 1 2 . 1 1 41 41 THR N N 348 122.674 122.674 115.169 7.505 18296 600 1 2 . 1 1 41 41 THR HA H 348 3.806 3.806 4.678 -0.872 18296 601 1 2 . 1 1 41 41 THR C C 348 182.343 182.343 173.046 9.297 18296 602 1 2 . 1 1 41 41 THR CA C 348 64.932 64.932 61.939 2.993 18296 603 1 2 . 1 1 41 41 THR CB C 348 68.772 68.772 71.382 -2.610 18296 604 1 2 . 1 1 41 41 THR H H 348 8.421 8.421 7.753 0.668 18296 605 1 2 . 1 1 42 42 ALA N N 349 130.177 130.177 127.048 3.129 18296 606 1 2 . 1 1 42 42 ALA HA H 349 4.967 4.967 5.454 -0.487 18296 607 1 2 . 1 1 42 42 ALA C C 349 176.955 176.955 175.754 1.201 18296 608 1 2 . 1 1 42 42 ALA CA C 349 49.997 49.997 50.667 -0.670 18296 609 1 2 . 1 1 42 42 ALA CB C 349 23.467 23.467 21.644 1.823 18296 610 1 2 . 1 1 42 42 ALA H H 349 8.856 8.856 8.892 -0.036 18296 611 1 2 . 1 1 43 43 PHE N N 350 113.053 113.053 118.381 -5.328 18296 612 1 2 . 1 1 43 43 PHE HA H 350 5.525 5.525 4.723 0.802 18296 613 1 2 . 1 1 43 43 PHE C C 350 177.894 177.894 173.115 4.779 18296 614 1 2 . 1 1 43 43 PHE CA C 350 53.625 53.625 56.258 -2.633 18296 615 1 2 . 1 1 43 43 PHE CB C 350 39.459 39.459 40.245 -0.786 18296 616 1 2 . 1 1 43 43 PHE H H 350 7.912 7.912 9.026 -1.114 18296 617 1 2 . 1 1 44 44 HIS N N 351 118.497 118.497 118.515 -0.018 18296 618 1 2 . 1 1 44 44 HIS HA H 351 4.892 4.892 5.062 -0.170 18296 619 1 2 . 1 1 44 44 HIS C C 351 176.371 176.371 176.753 -0.382 18296 620 1 2 . 1 1 44 44 HIS CA C 351 58.019 58.019 54.962 3.057 18296 621 1 2 . 1 1 44 44 HIS CB C 351 31.716 31.716 31.169 0.547 18296 622 1 2 . 1 1 44 44 HIS H H 351 9.335 9.335 8.298 1.037 18296 623 1 2 . 1 1 45 45 VAL N N 352 124.407 124.407 122.044 2.363 18296 624 1 2 . 1 1 45 45 VAL HA H 352 3.476 3.476 3.679 -0.203 18296 625 1 2 . 1 1 45 45 VAL C C 352 175.305 175.305 177.633 -2.328 18296 626 1 2 . 1 1 45 45 VAL CA C 352 67.359 67.359 66.647 0.712 18296 627 1 2 . 1 1 45 45 VAL CB C 352 31.627 31.627 31.803 -0.176 18296 628 1 2 . 1 1 45 45 VAL H H 352 8.654 8.654 8.047 0.607 18296 629 1 2 . 1 1 46 46 THR N N 353 111.166 111.166 115.573 -4.407 18296 630 1 2 . 1 1 46 46 THR HA H 353 3.997 3.997 4.109 -0.112 18296 631 1 2 . 1 1 46 46 THR C C 353 175.010 175.010 176.399 -1.389 18296 632 1 2 . 1 1 46 46 THR CA C 353 65.008 65.008 65.328 -0.320 18296 633 1 2 . 1 1 46 46 THR CB C 353 67.830 67.830 68.558 -0.728 18296 634 1 2 . 1 1 46 46 THR H H 353 8.370 8.370 8.262 0.108 18296 635 1 2 . 1 1 47 47 CYS N N 354 120.975 120.975 119.028 1.947 18296 636 1 2 . 1 1 47 47 CYS HA H 354 3.762 3.762 4.165 -0.403 18296 637 1 2 . 1 1 47 47 CYS C C 354 175.912 175.912 176.928 -1.016 18296 638 1 2 . 1 1 47 47 CYS CA C 354 63.372 63.372 62.497 0.875 18296 639 1 2 . 1 1 47 47 CYS CB C 354 29.076 29.076 25.866 3.210 18296 640 1 2 . 1 1 47 47 CYS H H 354 6.668 6.668 8.695 -2.027 18296 641 1 2 . 1 1 48 48 ALA N N 355 123.247 123.247 123.079 0.168 18296 642 1 2 . 1 1 48 48 ALA HA H 355 3.511 3.511 4.057 -0.546 18296 643 1 2 . 1 1 48 48 ALA C C 355 174.031 174.031 179.558 -5.527 18296 644 1 2 . 1 1 48 48 ALA CA C 355 55.045 55.045 55.361 -0.316 18296 645 1 2 . 1 1 48 48 ALA CB C 355 19.962 19.962 18.493 1.469 18296 646 1 2 . 1 1 48 48 ALA H H 355 8.481 8.481 8.119 0.362 18296 647 1 2 . 1 1 49 49 GLN N N 356 118.150 118.150 117.355 0.795 18296 648 1 2 . 1 1 49 49 GLN HA H 356 4.003 4.003 4.017 -0.014 18296 649 1 2 . 1 1 49 49 GLN C C 356 173.755 173.755 178.665 -4.910 18296 650 1 2 . 1 1 49 49 GLN CA C 356 58.728 58.728 58.722 0.006 18296 651 1 2 . 1 1 49 49 GLN CB C 356 28.196 28.196 28.728 -0.532 18296 652 1 2 . 1 1 49 49 GLN H H 356 8.055 8.055 7.899 0.156 18296 653 1 2 . 1 1 50 50 LYS N N 357 120.248 120.248 118.331 1.917 18296 654 1 2 . 1 1 50 50 LYS HA H 357 3.866 3.866 4.213 -0.347 18296 655 1 2 . 1 1 50 50 LYS C C 357 175.624 175.624 178.209 -2.585 18296 656 1 2 . 1 1 50 50 LYS CA C 357 58.989 58.989 57.645 1.344 18296 657 1 2 . 1 1 50 50 LYS CB C 357 32.377 32.377 32.362 0.015 18296 658 1 2 . 1 1 50 50 LYS H H 357 7.628 7.628 7.618 0.010 18296 659 1 2 . 1 1 51 51 ALA N N 358 118.343 118.343 119.926 -1.583 18296 660 1 2 . 1 1 51 51 ALA HA H 358 4.138 4.138 4.295 -0.157 18296 661 1 2 . 1 1 51 51 ALA C C 358 176.132 176.132 178.302 -2.170 18296 662 1 2 . 1 1 51 51 ALA CA C 358 52.263 52.263 53.151 -0.888 18296 663 1 2 . 1 1 51 51 ALA CB C 358 19.690 19.690 19.798 -0.108 18296 664 1 2 . 1 1 51 51 ALA H H 358 7.558 7.558 7.679 -0.121 18296 665 1 2 . 1 1 52 52 GLY N N 359 107.058 107.058 107.359 -0.301 18296 666 1 2 . 1 1 52 52 GLY C C 359 178.221 178.221 173.645 4.576 18296 667 1 2 . 1 1 52 52 GLY CA C 359 46.323 46.323 44.862 1.461 18296 668 1 2 . 1 1 52 52 GLY H H 359 7.481 7.481 8.237 -0.756 18296 669 1 2 . 1 1 53 53 LEU N N 360 118.335 118.335 116.272 2.063 18296 670 1 2 . 1 1 53 53 LEU HA H 360 4.002 4.002 4.978 -0.976 18296 671 1 2 . 1 1 53 53 LEU C C 360 176.917 176.917 176.106 0.811 18296 672 1 2 . 1 1 53 53 LEU CA C 360 54.926 54.926 52.361 2.565 18296 673 1 2 . 1 1 53 53 LEU CB C 360 39.949 39.949 43.108 -3.159 18296 674 1 2 . 1 1 53 53 LEU H H 360 7.502 7.502 7.294 0.208 18296 675 1 2 . 1 1 54 54 TYR N N 361 124.191 124.191 121.026 3.165 18296 676 1 2 . 1 1 54 54 TYR HA H 361 4.024 4.024 4.539 -0.515 18296 677 1 2 . 1 1 54 54 TYR C C 361 178.584 178.584 174.710 3.874 18296 678 1 2 . 1 1 54 54 TYR CA C 361 59.385 59.385 58.968 0.417 18296 679 1 2 . 1 1 54 54 TYR CB C 361 39.068 39.068 39.575 -0.507 18296 680 1 2 . 1 1 54 54 TYR H H 361 9.307 9.307 8.727 0.580 18296 681 1 2 . 1 1 55 55 MET N N 362 127.473 127.473 126.859 0.614 18296 682 1 2 . 1 1 55 55 MET HA H 362 4.953 4.953 4.936 0.017 18296 683 1 2 . 1 1 55 55 MET C C 362 179.342 179.342 174.283 5.059 18296 684 1 2 . 1 1 55 55 MET CA C 362 54.918 54.918 54.076 0.842 18296 685 1 2 . 1 1 55 55 MET CB C 362 35.857 35.857 36.768 -0.911 18296 686 1 2 . 1 1 55 55 MET H H 362 7.575 7.575 7.903 -0.328 18296 687 1 2 . 1 1 56 56 LYS N N 363 124.429 124.429 123.495 0.934 18296 688 1 2 . 1 1 56 56 LYS HA H 363 4.339 4.339 4.551 -0.212 18296 689 1 2 . 1 1 56 56 LYS C C 363 178.541 178.541 174.793 3.748 18296 690 1 2 . 1 1 56 56 LYS CA C 363 54.939 54.939 54.854 0.085 18296 691 1 2 . 1 1 56 56 LYS CB C 363 35.977 35.977 35.962 0.015 18296 692 1 2 . 1 1 56 56 LYS H H 363 8.575 8.575 8.976 -0.401 18296 693 1 2 . 1 1 57 57 MET N N 364 123.350 123.350 121.335 2.015 18296 694 1 2 . 1 1 57 57 MET HA H 364 4.801 4.801 5.020 -0.219 18296 695 1 2 . 1 1 57 57 MET C C 364 178.016 178.016 175.154 2.862 18296 696 1 2 . 1 1 57 57 MET CA C 364 54.111 54.111 54.942 -0.831 18296 697 1 2 . 1 1 57 57 MET H H 364 8.484 8.484 8.570 -0.086 18296 698 1 2 . 1 1 58 58 GLU N N 365 121.319 121.319 121.767 -0.448 18296 699 1 2 . 1 1 58 58 GLU H H 365 8.193 8.193 8.975 -0.782 18296 700 1 2 . 1 1 59 59 PRO HA H 366 4.665 4.665 4.451 0.214 18296 701 1 2 . 1 1 59 59 PRO C C 366 176.742 176.742 176.140 0.602 18296 702 1 2 . 1 1 59 59 PRO CA C 366 62.524 62.524 62.600 -0.076 18296 703 1 2 . 1 1 59 59 PRO CB C 366 32.125 32.125 32.266 -0.141 18296 704 1 2 . 1 1 60 60 VAL N N 367 122.754 122.754 119.473 3.281 18296 705 1 2 . 1 1 60 60 VAL HA H 367 4.105 4.105 4.557 -0.452 18296 706 1 2 . 1 1 60 60 VAL C C 367 178.435 178.435 174.728 3.707 18296 707 1 2 . 1 1 60 60 VAL CA C 367 61.529 61.529 59.346 2.183 18296 708 1 2 . 1 1 60 60 VAL CB C 367 34.057 34.057 34.868 -0.811 18296 709 1 2 . 1 1 60 60 VAL H H 367 8.509 8.509 7.897 0.612 18296 710 1 2 . 1 1 61 61 LYS N N 368 126.381 126.381 116.929 9.452 18296 711 1 2 . 1 1 61 61 LYS HA H 368 4.180 4.180 4.227 -0.047 18296 712 1 2 . 1 1 61 61 LYS C C 368 177.499 177.499 175.275 2.224 18296 713 1 2 . 1 1 61 61 LYS CA C 368 56.047 56.047 55.262 0.785 18296 714 1 2 . 1 1 61 61 LYS CB C 368 33.313 33.313 32.461 0.853 18296 715 1 2 . 1 1 61 61 LYS H H 368 8.379 8.379 8.386 -0.007 18296 716 1 2 . 1 1 62 62 GLU N N 369 123.927 123.927 118.324 5.603 18296 717 1 2 . 1 1 62 62 GLU HA H 369 4.246 4.246 4.647 -0.401 18296 718 1 2 . 1 1 62 62 GLU C C 369 177.861 177.861 174.725 3.136 18296 719 1 2 . 1 1 62 62 GLU CA C 369 55.596 55.596 55.650 -0.054 18296 720 1 2 . 1 1 62 62 GLU CB C 369 31.289 31.289 33.600 -2.311 18296 721 1 2 . 1 1 62 62 GLU H H 369 8.355 8.355 7.759 0.596 18296 722 1 2 . 1 1 63 63 LEU N N 370 124.406 124.406 122.180 2.226 18296 723 1 2 . 1 1 63 63 LEU HA H 370 4.356 4.356 4.793 -0.437 18296 724 1 2 . 1 1 63 63 LEU C C 370 176.026 176.026 177.457 -1.431 18296 725 1 2 . 1 1 63 63 LEU CA C 370 55.223 55.223 56.327 -1.104 18296 726 1 2 . 1 1 63 63 LEU CB C 370 42.061 42.061 44.422 -2.361 18296 727 1 2 . 1 1 63 63 LEU H H 370 8.419 8.419 8.896 -0.477 18296 728 1 2 . 1 1 64 64 THR N N 371 114.722 114.722 108.500 6.222 18296 729 1 2 . 1 1 64 64 THR HA H 371 4.306 4.306 4.286 0.020 18296 730 1 2 . 1 1 64 64 THR C C 371 178.158 178.158 175.117 3.041 18296 731 1 2 . 1 1 64 64 THR CA C 371 61.196 61.196 62.625 -1.429 18296 732 1 2 . 1 1 64 64 THR CB C 371 70.416 70.416 69.058 1.358 18296 733 1 2 . 1 1 64 64 THR H H 371 7.966 7.966 7.895 0.071 18296 734 1 2 . 1 1 65 65 GLY N N 372 111.711 111.711 110.126 1.585 18296 735 1 2 . 1 1 65 65 GLY C C 372 178.512 178.512 174.726 3.786 18296 736 1 2 . 1 1 65 65 GLY CA C 372 46.227 46.227 45.093 1.134 18296 737 1 2 . 1 1 65 65 GLY H H 372 8.565 8.565 8.301 0.264 18296 738 1 2 . 1 1 66 66 GLY N N 373 108.771 108.771 108.988 -0.217 18296 739 1 2 . 1 1 66 66 GLY C C 373 178.999 178.999 174.674 4.325 18296 740 1 2 . 1 1 66 66 GLY CA C 373 45.287 45.287 45.169 0.118 18296 741 1 2 . 1 1 66 66 GLY H H 373 8.227 8.227 8.784 -0.557 18296 742 1 2 . 1 1 67 67 GLY N N 374 108.901 108.901 107.864 1.037 18296 743 1 2 . 1 1 67 67 GLY C C 374 179.721 179.721 172.197 7.524 18296 744 1 2 . 1 1 67 67 GLY CA C 374 44.987 44.987 45.099 -0.112 18296 745 1 2 . 1 1 67 67 GLY H H 374 7.876 7.876 7.690 0.186 18296 746 1 2 . 1 1 68 68 THR N N 375 114.505 114.505 116.957 -2.452 18296 747 1 2 . 1 1 68 68 THR HA H 375 4.450 4.450 4.685 -0.235 18296 748 1 2 . 1 1 68 68 THR C C 375 178.997 178.997 173.591 5.406 18296 749 1 2 . 1 1 68 68 THR CA C 375 61.900 61.900 61.359 0.541 18296 750 1 2 . 1 1 68 68 THR CB C 375 70.047 70.047 70.565 -0.518 18296 751 1 2 . 1 1 68 68 THR H H 375 8.112 8.112 8.250 -0.138 18296 752 1 2 . 1 1 69 69 THR N N 376 118.054 118.054 115.785 2.269 18296 753 1 2 . 1 1 69 69 THR HA H 376 4.302 4.302 4.496 -0.194 18296 754 1 2 . 1 1 69 69 THR C C 376 180.403 180.403 173.307 7.096 18296 755 1 2 . 1 1 69 69 THR CA C 376 61.114 61.114 61.111 0.003 18296 756 1 2 . 1 1 69 69 THR CB C 376 70.422 70.422 71.109 -0.687 18296 757 1 2 . 1 1 69 69 THR H H 376 8.259 8.259 8.317 -0.058 18296 758 1 2 . 1 1 70 70 PHE N N 377 122.009 122.009 127.649 -5.640 18296 759 1 2 . 1 1 70 70 PHE HA H 377 4.910 4.910 4.699 0.211 18296 760 1 2 . 1 1 70 70 PHE C C 377 177.972 177.972 175.432 2.540 18296 761 1 2 . 1 1 70 70 PHE CA C 377 57.227 57.227 59.059 -1.832 18296 762 1 2 . 1 1 70 70 PHE CB C 377 40.873 40.873 39.208 1.665 18296 763 1 2 . 1 1 70 70 PHE H H 377 8.351 8.351 8.802 -0.451 18296 764 1 2 . 1 1 71 71 SER N N 378 117.853 117.853 120.865 -3.012 18296 765 1 2 . 1 1 71 71 SER HA H 378 4.493 4.493 4.899 -0.406 18296 766 1 2 . 1 1 71 71 SER C C 378 180.063 180.063 172.573 7.490 18296 767 1 2 . 1 1 71 71 SER CA C 378 57.276 57.276 57.336 -0.060 18296 768 1 2 . 1 1 71 71 SER CB C 378 64.612 64.612 65.760 -1.148 18296 769 1 2 . 1 1 71 71 SER H H 378 8.519 8.519 8.347 0.172 18296 770 1 2 . 1 1 72 72 VAL N N 379 120.162 120.162 119.541 0.621 18296 771 1 2 . 1 1 72 72 VAL HA H 379 4.441 4.441 4.317 0.124 18296 772 1 2 . 1 1 72 72 VAL C C 379 178.192 178.192 174.872 3.320 18296 773 1 2 . 1 1 72 72 VAL CA C 379 61.369 61.369 61.705 -0.335 18296 774 1 2 . 1 1 72 72 VAL CB C 379 33.944 33.944 34.479 -0.535 18296 775 1 2 . 1 1 72 72 VAL H H 379 8.277 8.277 8.362 -0.085 18296 776 1 2 . 1 1 73 73 ARG N N 380 126.538 126.538 124.900 1.638 18296 777 1 2 . 1 1 73 73 ARG HA H 380 4.430 4.430 4.572 -0.142 18296 778 1 2 . 1 1 73 73 ARG C C 380 177.524 177.524 174.464 3.060 18296 779 1 2 . 1 1 73 73 ARG CA C 380 54.744 54.744 55.419 -0.675 18296 780 1 2 . 1 1 73 73 ARG CB C 380 32.635 32.635 32.576 0.059 18296 781 1 2 . 1 1 73 73 ARG H H 380 8.727 8.727 8.509 0.218 18296 782 1 2 . 1 1 74 74 LYS N N 381 126.485 126.485 123.487 2.998 18296 783 1 2 . 1 1 74 74 LYS HA H 381 4.613 4.613 5.006 -0.393 18296 784 1 2 . 1 1 74 74 LYS C C 381 178.050 178.050 175.689 2.361 18296 785 1 2 . 1 1 74 74 LYS CA C 381 56.325 56.325 55.571 0.754 18296 786 1 2 . 1 1 74 74 LYS CB C 381 33.149 33.149 36.138 -2.989 18296 787 1 2 . 1 1 74 74 LYS H H 381 8.636 8.636 8.391 0.245 18296 788 1 2 . 1 1 75 75 THR N N 382 120.767 120.767 119.318 1.449 18296 789 1 2 . 1 1 75 75 THR HA H 382 3.791 3.791 4.353 -0.562 18296 790 1 2 . 1 1 75 75 THR C C 382 181.578 181.578 172.349 9.229 18296 791 1 2 . 1 1 75 75 THR CA C 382 61.703 61.703 62.052 -0.349 18296 792 1 2 . 1 1 75 75 THR CB C 382 70.771 70.771 70.765 0.006 18296 793 1 2 . 1 1 75 75 THR H H 382 8.544 8.544 8.469 0.075 18296 794 1 2 . 1 1 76 76 ALA N N 383 126.390 126.390 129.641 -3.251 18296 795 1 2 . 1 1 76 76 ALA HA H 383 5.358 5.358 5.135 0.223 18296 796 1 2 . 1 1 76 76 ALA C C 383 178.931 178.931 175.498 3.433 18296 797 1 2 . 1 1 76 76 ALA CA C 383 50.669 50.669 50.880 -0.211 18296 798 1 2 . 1 1 76 76 ALA CB C 383 24.682 24.682 21.742 2.940 18296 799 1 2 . 1 1 76 76 ALA H H 383 7.981 7.981 8.264 -0.283 18296 800 1 2 . 1 1 77 77 TYR N N 384 116.182 116.182 122.694 -6.512 18296 801 1 2 . 1 1 77 77 TYR HA H 384 5.920 5.920 4.807 1.113 18296 802 1 2 . 1 1 77 77 TYR C C 384 177.384 177.384 176.477 0.907 18296 803 1 2 . 1 1 77 77 TYR CA C 384 56.234 56.234 57.218 -0.984 18296 804 1 2 . 1 1 77 77 TYR CB C 384 43.201 43.201 39.897 3.304 18296 805 1 2 . 1 1 77 77 TYR H H 384 7.899 7.899 8.097 -0.198 18296 806 1 2 . 1 1 78 78 CYS N N 385 121.146 121.146 119.651 1.495 18296 807 1 2 . 1 1 78 78 CYS HA H 385 4.312 4.312 4.117 0.195 18296 808 1 2 . 1 1 78 78 CYS C C 385 178.543 178.543 176.611 1.932 18296 809 1 2 . 1 1 78 78 CYS CA C 385 58.293 58.293 57.985 0.308 18296 810 1 2 . 1 1 78 78 CYS CB C 385 29.815 29.815 28.648 1.167 18296 811 1 2 . 1 1 78 78 CYS H H 385 9.855 9.855 8.559 1.296 18296 812 1 2 . 1 1 79 79 ASP N N 386 115.334 115.334 121.447 -6.113 18296 813 1 2 . 1 1 79 79 ASP HA H 386 3.946 3.946 4.382 -0.436 18296 814 1 2 . 1 1 79 79 ASP C C 386 175.510 175.510 177.433 -1.923 18296 815 1 2 . 1 1 79 79 ASP CA C 386 57.118 57.118 56.885 0.233 18296 816 1 2 . 1 1 79 79 ASP CB C 386 40.495 40.495 41.233 -0.738 18296 817 1 2 . 1 1 79 79 ASP H H 386 7.657 7.657 8.086 -0.429 18296 818 1 2 . 1 1 80 80 VAL N N 387 119.872 119.872 112.648 7.224 18296 819 1 2 . 1 1 80 80 VAL HA H 387 3.579 3.579 4.076 -0.497 18296 820 1 2 . 1 1 80 80 VAL C C 387 176.437 176.437 175.634 0.803 18296 821 1 2 . 1 1 80 80 VAL CA C 387 64.272 64.272 63.015 1.257 18296 822 1 2 . 1 1 80 80 VAL CB C 387 31.798 31.798 30.564 1.234 18296 823 1 2 . 1 1 80 80 VAL H H 387 7.601 7.601 7.391 0.210 18296 824 1 2 . 1 1 81 81 HIS N N 388 119.244 119.244 119.133 0.111 18296 825 1 2 . 1 1 81 81 HIS HA H 388 4.632 4.632 4.578 0.054 18296 826 1 2 . 1 1 81 81 HIS C C 388 180.644 180.644 176.100 4.544 18296 827 1 2 . 1 1 81 81 HIS CA C 388 56.212 56.212 58.300 -2.087 18296 828 1 2 . 1 1 81 81 HIS CB C 388 31.774 31.774 31.796 -0.022 18296 829 1 2 . 1 1 81 81 HIS H H 388 7.385 7.385 7.764 -0.379 18296 830 1 2 . 1 1 82 82 THR N N 389 117.899 117.899 115.416 2.483 18296 831 1 2 . 1 1 82 82 THR HA H 389 3.733 3.733 4.418 -0.685 18296 832 1 2 . 1 1 82 82 THR C C 389 181.155 181.155 174.216 6.939 18296 833 1 2 . 1 1 82 82 THR CA C 389 61.844 61.844 64.413 -2.569 18296 834 1 2 . 1 1 82 82 THR CB C 389 70.285 70.285 67.452 2.833 18296 835 1 2 . 1 1 82 82 THR H H 389 7.133 7.133 7.699 -0.566 18296 836 1 2 . 1 1 83 83 PRO HA H 390 4.192 4.192 4.395 -0.203 18296 837 1 2 . 1 1 83 83 PRO CA C 390 61.509 61.509 64.248 -2.739 18296 838 1 2 . 1 1 83 83 PRO CB C 390 30.773 30.773 30.549 0.224 18296 839 1 2 . 1 1 84 84 PRO HA H 391 4.220 4.220 4.359 -0.139 18296 840 1 2 . 1 1 84 84 PRO C C 391 175.949 175.949 176.495 -0.546 18296 841 1 2 . 1 1 84 84 PRO CA C 391 63.032 63.032 62.445 0.587 18296 842 1 2 . 1 1 84 84 PRO CB C 391 31.983 31.983 32.150 -0.167 18296 843 1 2 . 1 1 85 85 GLY N N 392 109.626 109.626 106.238 3.388 18296 844 1 2 . 1 1 85 85 GLY C C 392 179.223 179.223 173.890 5.333 18296 845 1 2 . 1 1 85 85 GLY CA C 392 45.359 45.359 45.079 0.280 18296 846 1 2 . 1 1 85 85 GLY H H 392 8.367 8.367 8.059 0.308 18296 847 1 2 . 1 1 86 86 SER N N 393 115.675 115.675 115.736 -0.061 18296 848 1 2 . 1 1 86 86 SER HA H 393 4.354 4.354 4.888 -0.534 18296 849 1 2 . 1 1 86 86 SER C C 393 179.569 179.569 174.638 4.931 18296 850 1 2 . 1 1 86 86 SER CA C 393 58.521 58.521 58.559 -0.038 18296 851 1 2 . 1 1 86 86 SER CB C 393 63.913 63.913 63.681 0.232 18296 852 1 2 . 1 1 86 86 SER H H 393 8.022 8.022 8.736 -0.714 18296 853 1 3 . 1 1 10 10 ASN N N 317 120.101 120.101 123.619 -3.518 18296 854 1 3 . 1 1 10 10 ASN HA H 317 4.501 4.501 4.854 -0.353 18296 855 1 3 . 1 1 10 10 ASN C C 317 179.015 179.015 173.840 5.175 18296 856 1 3 . 1 1 10 10 ASN CA C 317 53.191 53.191 53.775 -0.584 18296 857 1 3 . 1 1 10 10 ASN CB C 317 38.650 38.650 39.156 -0.506 18296 858 1 3 . 1 1 10 10 ASN H H 317 8.415 8.415 8.813 -0.398 18296 859 1 3 . 1 1 11 11 ILE N N 318 122.869 122.869 116.221 6.648 18296 860 1 3 . 1 1 11 11 ILE HA H 318 4.250 4.250 4.594 -0.344 18296 861 1 3 . 1 1 11 11 ILE C C 318 179.506 179.506 173.297 6.209 18296 862 1 3 . 1 1 11 11 ILE CA C 318 58.332 58.332 59.835 -1.503 18296 863 1 3 . 1 1 11 11 ILE CB C 318 38.713 38.713 38.123 0.590 18296 864 1 3 . 1 1 11 11 ILE H H 318 7.924 7.924 7.775 0.149 18296 865 1 3 . 1 1 12 12 PRO HA H 319 4.359 4.359 4.896 -0.537 18296 866 1 3 . 1 1 12 12 PRO CA C 319 61.487 61.487 62.119 -0.632 18296 867 1 3 . 1 1 12 12 PRO CB C 319 30.960 30.960 31.529 -0.569 18296 868 1 3 . 1 1 13 13 PRO HA H 320 3.968 3.968 4.787 -0.819 18296 869 1 3 . 1 1 13 13 PRO C C 320 176.730 176.730 175.480 1.250 18296 870 1 3 . 1 1 13 13 PRO CA C 320 62.874 62.874 61.811 1.063 18296 871 1 3 . 1 1 13 13 PRO CB C 320 31.948 31.948 33.916 -1.968 18296 872 1 3 . 1 1 14 14 ALA N N 321 123.469 123.469 121.177 2.292 18296 873 1 3 . 1 1 14 14 ALA HA H 321 3.952 3.952 4.058 -0.106 18296 874 1 3 . 1 1 14 14 ALA C C 321 175.208 175.208 176.391 -1.183 18296 875 1 3 . 1 1 14 14 ALA CA C 321 52.876 52.876 51.608 1.268 18296 876 1 3 . 1 1 14 14 ALA CB C 321 18.896 18.896 18.926 -0.030 18296 877 1 3 . 1 1 14 14 ALA H H 321 8.108 8.108 7.954 0.154 18296 878 1 3 . 1 1 15 15 ARG N N 322 118.725 118.725 118.825 -0.100 18296 879 1 3 . 1 1 15 15 ARG HA H 322 3.943 3.943 4.085 -0.142 18296 880 1 3 . 1 1 15 15 ARG C C 322 176.870 176.870 175.274 1.596 18296 881 1 3 . 1 1 15 15 ARG CA C 322 56.737 56.737 56.626 0.112 18296 882 1 3 . 1 1 15 15 ARG CB C 322 30.230 30.230 29.753 0.477 18296 883 1 3 . 1 1 15 15 ARG H H 322 8.077 8.077 8.127 -0.050 18296 884 1 3 . 1 1 16 16 TRP N N 323 120.113 120.113 120.535 -0.422 18296 885 1 3 . 1 1 16 16 TRP HA H 323 4.471 4.471 4.669 -0.198 18296 886 1 3 . 1 1 16 16 TRP C C 323 177.322 177.322 176.434 0.888 18296 887 1 3 . 1 1 16 16 TRP CA C 323 57.143 57.143 55.099 2.044 18296 888 1 3 . 1 1 16 16 TRP CB C 323 29.192 29.192 27.254 1.938 18296 889 1 3 . 1 1 16 16 TRP H H 323 7.634 7.634 8.092 -0.458 18296 890 1 3 . 1 1 17 17 LYS N N 324 121.400 121.400 123.915 -2.515 18296 891 1 3 . 1 1 17 17 LYS HA H 324 3.951 3.951 4.343 -0.392 18296 892 1 3 . 1 1 17 17 LYS C C 324 179.457 179.457 176.099 3.358 18296 893 1 3 . 1 1 17 17 LYS CA C 324 56.502 56.502 56.660 -0.158 18296 894 1 3 . 1 1 17 17 LYS CB C 324 32.867 32.867 33.218 -0.351 18296 895 1 3 . 1 1 17 17 LYS H H 324 7.735 7.735 7.985 -0.250 18296 896 1 3 . 1 1 18 18 LEU N N 325 121.064 121.064 122.493 -1.429 18296 897 1 3 . 1 1 18 18 LEU HA H 325 4.141 4.141 4.786 -0.645 18296 898 1 3 . 1 1 18 18 LEU C C 325 176.781 176.781 175.944 0.837 18296 899 1 3 . 1 1 18 18 LEU CA C 325 54.574 54.574 54.158 0.416 18296 900 1 3 . 1 1 18 18 LEU CB C 325 42.252 42.252 44.185 -1.933 18296 901 1 3 . 1 1 18 18 LEU H H 325 7.708 7.708 8.045 -0.337 18296 902 1 3 . 1 1 19 19 THR N N 326 117.252 117.252 114.241 3.011 18296 903 1 3 . 1 1 19 19 THR HA H 326 3.935 3.935 4.529 -0.594 18296 904 1 3 . 1 1 19 19 THR C C 326 180.854 180.854 173.168 7.686 18296 905 1 3 . 1 1 19 19 THR CA C 326 61.977 61.977 61.063 0.914 18296 906 1 3 . 1 1 19 19 THR CB C 326 70.166 70.166 71.153 -0.987 18296 907 1 3 . 1 1 19 19 THR H H 326 7.915 7.915 8.122 -0.207 18296 908 1 3 . 1 1 20 20 CYS N N 327 127.254 127.254 123.930 3.324 18296 909 1 3 . 1 1 20 20 CYS HA H 327 4.324 4.324 4.965 -0.641 18296 910 1 3 . 1 1 20 20 CYS C C 327 175.898 175.898 177.031 -1.133 18296 911 1 3 . 1 1 20 20 CYS CA C 327 57.928 57.928 57.421 0.507 18296 912 1 3 . 1 1 20 20 CYS CB C 327 31.298 31.298 27.505 3.793 18296 913 1 3 . 1 1 20 20 CYS H H 327 8.055 8.055 8.639 -0.584 18296 914 1 3 . 1 1 21 21 TYR N N 328 129.752 129.752 127.181 2.571 18296 915 1 3 . 1 1 21 21 TYR HA H 328 4.488 4.488 4.492 -0.004 18296 916 1 3 . 1 1 21 21 TYR C C 328 178.625 178.625 176.146 2.479 18296 917 1 3 . 1 1 21 21 TYR CA C 328 58.951 58.951 59.517 -0.566 18296 918 1 3 . 1 1 21 21 TYR CB C 328 37.712 37.712 38.031 -0.319 18296 919 1 3 . 1 1 21 21 TYR H H 328 9.082 9.082 8.867 0.215 18296 920 1 3 . 1 1 22 22 LEU N N 329 124.057 124.057 118.465 5.592 18296 921 1 3 . 1 1 22 22 LEU HA H 329 3.749 3.749 4.247 -0.498 18296 922 1 3 . 1 1 22 22 LEU C C 329 176.268 176.268 177.039 -0.771 18296 923 1 3 . 1 1 22 22 LEU CA C 329 56.514 56.514 54.639 1.875 18296 924 1 3 . 1 1 22 22 LEU CB C 329 42.975 42.975 41.811 1.164 18296 925 1 3 . 1 1 22 22 LEU H H 329 8.140 8.140 7.533 0.607 18296 926 1 3 . 1 1 23 23 CYS N N 330 117.734 117.734 116.859 0.875 18296 927 1 3 . 1 1 23 23 CYS HA H 330 4.741 4.741 4.861 -0.120 18296 928 1 3 . 1 1 23 23 CYS C C 330 177.769 177.769 173.103 4.666 18296 929 1 3 . 1 1 23 23 CYS CA C 330 58.459 58.459 57.549 0.910 18296 930 1 3 . 1 1 23 23 CYS CB C 330 30.918 30.918 31.677 -0.759 18296 931 1 3 . 1 1 23 23 CYS H H 330 7.971 7.971 7.372 0.599 18296 932 1 3 . 1 1 24 24 LYS N N 331 118.437 118.437 118.111 0.326 18296 933 1 3 . 1 1 24 24 LYS HA H 331 3.980 3.980 4.454 -0.474 18296 934 1 3 . 1 1 24 24 LYS C C 331 178.178 178.178 175.635 2.543 18296 935 1 3 . 1 1 24 24 LYS CA C 331 57.520 57.520 56.394 1.126 18296 936 1 3 . 1 1 24 24 LYS CB C 331 29.278 29.278 32.396 -3.118 18296 937 1 3 . 1 1 24 24 LYS H H 331 7.842 7.842 8.336 -0.494 18296 938 1 3 . 1 1 25 25 GLN N N 332 118.445 118.445 118.493 -0.048 18296 939 1 3 . 1 1 25 25 GLN HA H 332 4.574 4.574 4.549 0.025 18296 940 1 3 . 1 1 25 25 GLN C C 332 177.619 177.619 175.080 2.539 18296 941 1 3 . 1 1 25 25 GLN CA C 332 54.362 54.362 54.357 0.005 18296 942 1 3 . 1 1 25 25 GLN CB C 332 31.843 31.843 28.832 3.011 18296 943 1 3 . 1 1 25 25 GLN H H 332 8.306 8.306 7.963 0.343 18296 944 1 3 . 1 1 26 26 LYS N N 333 122.851 122.851 124.645 -1.794 18296 945 1 3 . 1 1 26 26 LYS HA H 333 4.222 4.222 4.207 0.015 18296 946 1 3 . 1 1 26 26 LYS C C 333 175.456 175.456 176.513 -1.057 18296 947 1 3 . 1 1 26 26 LYS CA C 333 57.729 57.729 56.489 1.240 18296 948 1 3 . 1 1 26 26 LYS CB C 333 32.925 32.925 30.945 1.980 18296 949 1 3 . 1 1 26 26 LYS H H 333 8.545 8.545 8.502 0.043 18296 950 1 3 . 1 1 27 27 GLY N N 334 107.216 107.216 113.039 -5.823 18296 951 1 3 . 1 1 27 27 GLY C C 334 180.017 180.017 173.242 6.775 18296 952 1 3 . 1 1 27 27 GLY CA C 334 45.559 45.559 44.712 0.848 18296 953 1 3 . 1 1 27 27 GLY H H 334 8.348 8.348 8.206 0.142 18296 954 1 3 . 1 1 28 28 VAL N N 335 117.437 117.437 122.222 -4.785 18296 955 1 3 . 1 1 28 28 VAL HA H 335 4.133 4.133 4.215 -0.082 18296 956 1 3 . 1 1 28 28 VAL C C 335 177.439 177.439 176.468 0.971 18296 957 1 3 . 1 1 28 28 VAL CA C 335 61.502 61.502 62.185 -0.683 18296 958 1 3 . 1 1 28 28 VAL CB C 335 33.563 33.563 32.774 0.789 18296 959 1 3 . 1 1 28 28 VAL H H 335 7.867 7.867 8.160 -0.293 18296 960 1 3 . 1 1 29 29 GLY N N 336 110.723 110.723 109.063 1.660 18296 961 1 3 . 1 1 29 29 GLY C C 336 180.088 180.088 173.572 6.516 18296 962 1 3 . 1 1 29 29 GLY CA C 336 44.344 44.344 45.967 -1.623 18296 963 1 3 . 1 1 29 29 GLY H H 336 8.186 8.186 8.552 -0.366 18296 964 1 3 . 1 1 30 30 ALA N N 337 122.643 122.643 124.948 -2.305 18296 965 1 3 . 1 1 30 30 ALA HA H 337 4.193 4.193 4.835 -0.642 18296 966 1 3 . 1 1 30 30 ALA C C 337 175.274 175.274 175.999 -0.725 18296 967 1 3 . 1 1 30 30 ALA CA C 337 52.904 52.904 51.050 1.854 18296 968 1 3 . 1 1 30 30 ALA CB C 337 19.677 19.677 20.579 -0.902 18296 969 1 3 . 1 1 30 30 ALA H H 337 8.269 8.269 7.989 0.280 18296 970 1 3 . 1 1 31 31 SER N N 338 117.644 117.644 115.508 2.136 18296 971 1 3 . 1 1 31 31 SER HA H 338 4.775 4.775 4.777 -0.002 18296 972 1 3 . 1 1 31 31 SER C C 338 180.923 180.923 173.160 7.763 18296 973 1 3 . 1 1 31 31 SER CA C 338 57.406 57.406 57.589 -0.183 18296 974 1 3 . 1 1 31 31 SER CB C 338 65.388 65.388 65.418 -0.030 18296 975 1 3 . 1 1 31 31 SER H H 338 8.415 8.415 8.356 0.059 18296 976 1 3 . 1 1 32 32 ILE N N 339 121.240 121.240 123.066 -1.826 18296 977 1 3 . 1 1 32 32 ILE HA H 339 4.123 4.123 4.459 -0.336 18296 978 1 3 . 1 1 32 32 ILE C C 339 181.302 181.302 173.372 7.930 18296 979 1 3 . 1 1 32 32 ILE CA C 339 59.768 59.768 59.409 0.359 18296 980 1 3 . 1 1 32 32 ILE CB C 339 41.252 41.252 41.850 -0.598 18296 981 1 3 . 1 1 32 32 ILE H H 339 8.522 8.522 8.949 -0.427 18296 982 1 3 . 1 1 33 33 GLN N N 340 120.384 120.384 126.140 -5.756 18296 983 1 3 . 1 1 33 33 GLN HA H 340 4.335 4.335 5.089 -0.754 18296 984 1 3 . 1 1 33 33 GLN C C 340 179.377 179.377 174.966 4.411 18296 985 1 3 . 1 1 33 33 GLN CA C 340 53.739 53.739 54.311 -0.572 18296 986 1 3 . 1 1 33 33 GLN CB C 340 32.179 32.179 31.127 1.052 18296 987 1 3 . 1 1 33 33 GLN H H 340 7.720 7.720 8.277 -0.557 18296 988 1 3 . 1 1 34 34 CYS N N 341 125.463 125.463 127.823 -2.360 18296 989 1 3 . 1 1 34 34 CYS HA H 341 4.036 4.036 4.876 -0.840 18296 990 1 3 . 1 1 34 34 CYS C C 341 178.269 178.269 176.242 2.027 18296 991 1 3 . 1 1 34 34 CYS CA C 341 60.992 60.992 58.949 2.043 18296 992 1 3 . 1 1 34 34 CYS CB C 341 32.346 32.346 27.928 4.418 18296 993 1 3 . 1 1 34 34 CYS H H 341 8.292 8.292 8.837 -0.545 18296 994 1 3 . 1 1 35 35 HIS N N 342 126.611 126.611 128.217 -1.606 18296 995 1 3 . 1 1 35 35 HIS HA H 342 4.128 4.128 4.388 -0.260 18296 996 1 3 . 1 1 35 35 HIS CA C 342 57.556 57.556 57.304 0.252 18296 997 1 3 . 1 1 35 35 HIS CB C 342 29.945 29.945 31.529 -1.584 18296 998 1 3 . 1 1 35 35 HIS H H 342 8.722 8.722 8.145 0.577 18296 999 1 3 . 1 1 36 36 LYS N N 343 124.049 124.049 116.903 7.146 18296 1000 1 3 . 1 1 36 36 LYS HA H 343 3.940 3.940 3.970 -0.030 18296 1001 1 3 . 1 1 36 36 LYS C C 343 176.701 176.701 175.827 0.874 18296 1002 1 3 . 1 1 36 36 LYS CA C 343 56.155 56.155 56.471 -0.316 18296 1003 1 3 . 1 1 36 36 LYS CB C 343 33.033 33.033 32.714 0.320 18296 1004 1 3 . 1 1 36 36 LYS H H 343 8.567 8.567 8.140 0.427 18296 1005 1 3 . 1 1 37 37 ALA N N 344 130.751 130.751 127.988 2.763 18296 1006 1 3 . 1 1 37 37 ALA HA H 344 3.733 3.733 3.632 0.101 18296 1007 1 3 . 1 1 37 37 ALA C C 344 175.302 175.302 177.723 -2.421 18296 1008 1 3 . 1 1 37 37 ALA CA C 344 53.917 53.917 54.048 -0.131 18296 1009 1 3 . 1 1 37 37 ALA CB C 344 18.206 18.206 18.550 -0.344 18296 1010 1 3 . 1 1 37 37 ALA H H 344 8.363 8.363 8.572 -0.209 18296 1011 1 3 . 1 1 38 38 ASN N N 345 114.094 114.094 116.123 -2.029 18296 1012 1 3 . 1 1 38 38 ASN HA H 345 3.885 3.885 4.615 -0.730 18296 1013 1 3 . 1 1 38 38 ASN C C 345 181.195 181.195 176.242 4.953 18296 1014 1 3 . 1 1 38 38 ASN CA C 345 53.606 53.606 54.885 -1.278 18296 1015 1 3 . 1 1 38 38 ASN CB C 345 37.443 37.443 38.448 -1.005 18296 1016 1 3 . 1 1 38 38 ASN H H 345 8.292 8.292 8.501 -0.209 18296 1017 1 3 . 1 1 39 39 CYS N N 346 121.417 121.417 118.434 2.983 18296 1018 1 3 . 1 1 39 39 CYS C C 346 178.723 178.723 175.176 3.547 18296 1019 1 3 . 1 1 39 39 CYS H H 346 7.283 7.283 7.743 -0.460 18296 1020 1 3 . 1 1 40 40 TYR HA H 347 4.212 4.212 4.234 -0.022 18296 1021 1 3 . 1 1 40 40 TYR C C 347 178.156 178.156 174.553 3.603 18296 1022 1 3 . 1 1 40 40 TYR CA C 347 56.478 56.478 59.353 -2.875 18296 1023 1 3 . 1 1 40 40 TYR CB C 347 37.446 37.446 35.700 1.746 18296 1024 1 3 . 1 1 40 40 TYR H H 347 7.923 7.923 8.127 -0.204 18296 1025 1 3 . 1 1 41 41 THR N N 348 122.674 122.674 116.227 6.447 18296 1026 1 3 . 1 1 41 41 THR HA H 348 3.806 3.806 4.680 -0.874 18296 1027 1 3 . 1 1 41 41 THR C C 348 182.343 182.343 173.053 9.290 18296 1028 1 3 . 1 1 41 41 THR CA C 348 64.932 64.932 61.911 3.021 18296 1029 1 3 . 1 1 41 41 THR CB C 348 68.772 68.772 71.031 -2.259 18296 1030 1 3 . 1 1 41 41 THR H H 348 8.421 8.421 7.738 0.683 18296 1031 1 3 . 1 1 42 42 ALA N N 349 130.177 130.177 127.125 3.052 18296 1032 1 3 . 1 1 42 42 ALA HA H 349 4.967 4.967 5.401 -0.434 18296 1033 1 3 . 1 1 42 42 ALA C C 349 176.955 176.955 175.712 1.243 18296 1034 1 3 . 1 1 42 42 ALA CA C 349 49.997 49.997 50.664 -0.667 18296 1035 1 3 . 1 1 42 42 ALA CB C 349 23.467 23.467 21.895 1.571 18296 1036 1 3 . 1 1 42 42 ALA H H 349 8.856 8.856 8.844 0.012 18296 1037 1 3 . 1 1 43 43 PHE N N 350 113.053 113.053 117.750 -4.697 18296 1038 1 3 . 1 1 43 43 PHE HA H 350 5.525 5.525 4.924 0.601 18296 1039 1 3 . 1 1 43 43 PHE C C 350 177.894 177.894 173.637 4.257 18296 1040 1 3 . 1 1 43 43 PHE CA C 350 53.625 53.625 56.216 -2.591 18296 1041 1 3 . 1 1 43 43 PHE CB C 350 39.459 39.459 41.061 -1.602 18296 1042 1 3 . 1 1 43 43 PHE H H 350 7.912 7.912 8.964 -1.052 18296 1043 1 3 . 1 1 44 44 HIS N N 351 118.497 118.497 119.292 -0.795 18296 1044 1 3 . 1 1 44 44 HIS HA H 351 4.892 4.892 4.808 0.084 18296 1045 1 3 . 1 1 44 44 HIS C C 351 176.371 176.371 176.986 -0.615 18296 1046 1 3 . 1 1 44 44 HIS CA C 351 58.019 58.019 56.917 1.101 18296 1047 1 3 . 1 1 44 44 HIS CB C 351 31.716 31.716 30.213 1.503 18296 1048 1 3 . 1 1 44 44 HIS H H 351 9.335 9.335 8.482 0.853 18296 1049 1 3 . 1 1 45 45 VAL N N 352 124.407 124.407 121.773 2.634 18296 1050 1 3 . 1 1 45 45 VAL HA H 352 3.476 3.476 3.763 -0.287 18296 1051 1 3 . 1 1 45 45 VAL C C 352 175.305 175.305 177.782 -2.477 18296 1052 1 3 . 1 1 45 45 VAL CA C 352 67.359 67.359 66.914 0.445 18296 1053 1 3 . 1 1 45 45 VAL CB C 352 31.627 31.627 31.808 -0.181 18296 1054 1 3 . 1 1 45 45 VAL H H 352 8.654 8.654 8.401 0.253 18296 1055 1 3 . 1 1 46 46 THR N N 353 111.166 111.166 115.594 -4.428 18296 1056 1 3 . 1 1 46 46 THR HA H 353 3.997 3.997 4.401 -0.404 18296 1057 1 3 . 1 1 46 46 THR C C 353 175.010 175.010 176.483 -1.473 18296 1058 1 3 . 1 1 46 46 THR CA C 353 65.008 65.008 65.219 -0.211 18296 1059 1 3 . 1 1 46 46 THR CB C 353 67.830 67.830 68.314 -0.484 18296 1060 1 3 . 1 1 46 46 THR H H 353 8.370 8.370 8.171 0.199 18296 1061 1 3 . 1 1 47 47 CYS N N 354 120.975 120.975 119.649 1.326 18296 1062 1 3 . 1 1 47 47 CYS HA H 354 3.762 3.762 4.074 -0.312 18296 1063 1 3 . 1 1 47 47 CYS C C 354 175.912 175.912 177.163 -1.251 18296 1064 1 3 . 1 1 47 47 CYS CA C 354 63.372 63.372 62.931 0.441 18296 1065 1 3 . 1 1 47 47 CYS CB C 354 29.076 29.076 25.890 3.186 18296 1066 1 3 . 1 1 47 47 CYS H H 354 6.668 6.668 8.722 -2.054 18296 1067 1 3 . 1 1 48 48 ALA N N 355 123.247 123.247 122.629 0.618 18296 1068 1 3 . 1 1 48 48 ALA HA H 355 3.511 3.511 3.990 -0.479 18296 1069 1 3 . 1 1 48 48 ALA C C 355 174.031 174.031 179.505 -5.474 18296 1070 1 3 . 1 1 48 48 ALA CA C 355 55.045 55.045 55.305 -0.260 18296 1071 1 3 . 1 1 48 48 ALA CB C 355 19.962 19.962 18.567 1.395 18296 1072 1 3 . 1 1 48 48 ALA H H 355 8.481 8.481 8.015 0.466 18296 1073 1 3 . 1 1 49 49 GLN N N 356 118.150 118.150 117.614 0.536 18296 1074 1 3 . 1 1 49 49 GLN HA H 356 4.003 4.003 4.012 -0.009 18296 1075 1 3 . 1 1 49 49 GLN C C 356 173.755 173.755 178.584 -4.829 18296 1076 1 3 . 1 1 49 49 GLN CA C 356 58.728 58.728 58.605 0.123 18296 1077 1 3 . 1 1 49 49 GLN CB C 356 28.196 28.196 28.749 -0.553 18296 1078 1 3 . 1 1 49 49 GLN H H 356 8.055 8.055 7.768 0.287 18296 1079 1 3 . 1 1 50 50 LYS N N 357 120.248 120.248 118.312 1.936 18296 1080 1 3 . 1 1 50 50 LYS HA H 357 3.866 3.866 4.200 -0.334 18296 1081 1 3 . 1 1 50 50 LYS C C 357 175.624 175.624 178.123 -2.499 18296 1082 1 3 . 1 1 50 50 LYS CA C 357 58.989 58.989 57.855 1.134 18296 1083 1 3 . 1 1 50 50 LYS CB C 357 32.377 32.377 32.461 -0.084 18296 1084 1 3 . 1 1 50 50 LYS H H 357 7.628 7.628 7.895 -0.267 18296 1085 1 3 . 1 1 51 51 ALA N N 358 118.343 118.343 119.792 -1.449 18296 1086 1 3 . 1 1 51 51 ALA HA H 358 4.138 4.138 4.286 -0.148 18296 1087 1 3 . 1 1 51 51 ALA C C 358 176.132 176.132 178.479 -2.347 18296 1088 1 3 . 1 1 51 51 ALA CA C 358 52.263 52.263 52.937 -0.674 18296 1089 1 3 . 1 1 51 51 ALA CB C 358 19.690 19.690 19.383 0.307 18296 1090 1 3 . 1 1 51 51 ALA H H 358 7.558 7.558 7.714 -0.156 18296 1091 1 3 . 1 1 52 52 GLY N N 359 107.058 107.058 108.060 -1.002 18296 1092 1 3 . 1 1 52 52 GLY C C 359 178.221 178.221 174.226 3.995 18296 1093 1 3 . 1 1 52 52 GLY CA C 359 46.323 46.323 45.182 1.141 18296 1094 1 3 . 1 1 52 52 GLY H H 359 7.481 7.481 8.253 -0.772 18296 1095 1 3 . 1 1 53 53 LEU N N 360 118.335 118.335 115.933 2.402 18296 1096 1 3 . 1 1 53 53 LEU HA H 360 4.002 4.002 4.954 -0.952 18296 1097 1 3 . 1 1 53 53 LEU C C 360 176.917 176.917 176.207 0.710 18296 1098 1 3 . 1 1 53 53 LEU CA C 360 54.926 54.926 52.484 2.442 18296 1099 1 3 . 1 1 53 53 LEU CB C 360 39.949 39.949 42.960 -3.011 18296 1100 1 3 . 1 1 53 53 LEU H H 360 7.502 7.502 7.289 0.213 18296 1101 1 3 . 1 1 54 54 TYR N N 361 124.191 124.191 120.166 4.025 18296 1102 1 3 . 1 1 54 54 TYR HA H 361 4.024 4.024 4.616 -0.592 18296 1103 1 3 . 1 1 54 54 TYR C C 361 178.584 178.584 174.998 3.586 18296 1104 1 3 . 1 1 54 54 TYR CA C 361 59.385 59.385 58.343 1.042 18296 1105 1 3 . 1 1 54 54 TYR CB C 361 39.068 39.068 40.140 -1.072 18296 1106 1 3 . 1 1 54 54 TYR H H 361 9.307 9.307 8.596 0.711 18296 1107 1 3 . 1 1 55 55 MET N N 362 127.473 127.473 124.843 2.630 18296 1108 1 3 . 1 1 55 55 MET HA H 362 4.953 4.953 4.476 0.477 18296 1109 1 3 . 1 1 55 55 MET C C 362 179.342 179.342 174.408 4.934 18296 1110 1 3 . 1 1 55 55 MET CA C 362 54.918 54.918 54.400 0.518 18296 1111 1 3 . 1 1 55 55 MET CB C 362 35.857 35.857 36.293 -0.436 18296 1112 1 3 . 1 1 55 55 MET H H 362 7.575 7.575 7.688 -0.113 18296 1113 1 3 . 1 1 56 56 LYS N N 363 124.429 124.429 122.417 2.012 18296 1114 1 3 . 1 1 56 56 LYS HA H 363 4.339 4.339 4.709 -0.370 18296 1115 1 3 . 1 1 56 56 LYS C C 363 178.541 178.541 174.634 3.907 18296 1116 1 3 . 1 1 56 56 LYS CA C 363 54.939 54.939 54.693 0.246 18296 1117 1 3 . 1 1 56 56 LYS CB C 363 35.977 35.977 36.644 -0.667 18296 1118 1 3 . 1 1 56 56 LYS H H 363 8.575 8.575 8.966 -0.391 18296 1119 1 3 . 1 1 57 57 MET N N 364 123.350 123.350 120.857 2.493 18296 1120 1 3 . 1 1 57 57 MET HA H 364 4.801 4.801 4.809 -0.008 18296 1121 1 3 . 1 1 57 57 MET C C 364 178.016 178.016 174.992 3.024 18296 1122 1 3 . 1 1 57 57 MET CA C 364 54.111 54.111 55.404 -1.293 18296 1123 1 3 . 1 1 57 57 MET H H 364 8.484 8.484 8.585 -0.101 18296 1124 1 3 . 1 1 58 58 GLU N N 365 121.319 121.319 124.051 -2.732 18296 1125 1 3 . 1 1 58 58 GLU H H 365 8.193 8.193 9.035 -0.842 18296 1126 1 3 . 1 1 59 59 PRO HA H 366 4.665 4.665 4.295 0.370 18296 1127 1 3 . 1 1 59 59 PRO C C 366 176.742 176.742 176.104 0.638 18296 1128 1 3 . 1 1 59 59 PRO CA C 366 62.524 62.524 63.164 -0.640 18296 1129 1 3 . 1 1 59 59 PRO CB C 366 32.125 32.125 32.009 0.116 18296 1130 1 3 . 1 1 60 60 VAL N N 367 122.754 122.754 117.106 5.648 18296 1131 1 3 . 1 1 60 60 VAL HA H 367 4.105 4.105 4.490 -0.385 18296 1132 1 3 . 1 1 60 60 VAL C C 367 178.435 178.435 174.881 3.554 18296 1133 1 3 . 1 1 60 60 VAL CA C 367 61.529 61.529 60.480 1.049 18296 1134 1 3 . 1 1 60 60 VAL CB C 367 34.057 34.057 33.705 0.352 18296 1135 1 3 . 1 1 60 60 VAL H H 367 8.509 8.509 8.158 0.351 18296 1136 1 3 . 1 1 61 61 LYS N N 368 126.381 126.381 126.690 -0.309 18296 1137 1 3 . 1 1 61 61 LYS HA H 368 4.180 4.180 4.559 -0.379 18296 1138 1 3 . 1 1 61 61 LYS C C 368 177.499 177.499 176.663 0.836 18296 1139 1 3 . 1 1 61 61 LYS CA C 368 56.047 56.047 55.205 0.842 18296 1140 1 3 . 1 1 61 61 LYS CB C 368 33.313 33.313 34.555 -1.242 18296 1141 1 3 . 1 1 61 61 LYS H H 368 8.379 8.379 8.509 -0.130 18296 1142 1 3 . 1 1 62 62 GLU N N 369 123.927 123.927 116.973 6.954 18296 1143 1 3 . 1 1 62 62 GLU HA H 369 4.246 4.246 4.093 0.153 18296 1144 1 3 . 1 1 62 62 GLU C C 369 177.861 177.861 175.413 2.448 18296 1145 1 3 . 1 1 62 62 GLU CA C 369 55.596 55.596 57.553 -1.957 18296 1146 1 3 . 1 1 62 62 GLU CB C 369 31.289 31.289 29.485 1.804 18296 1147 1 3 . 1 1 62 62 GLU H H 369 8.355 8.355 8.670 -0.315 18296 1148 1 3 . 1 1 63 63 LEU N N 370 124.406 124.406 120.066 4.340 18296 1149 1 3 . 1 1 63 63 LEU HA H 370 4.356 4.356 4.558 -0.202 18296 1150 1 3 . 1 1 63 63 LEU C C 370 176.026 176.026 176.994 -0.968 18296 1151 1 3 . 1 1 63 63 LEU CA C 370 55.223 55.223 57.016 -1.793 18296 1152 1 3 . 1 1 63 63 LEU CB C 370 42.061 42.061 43.437 -1.376 18296 1153 1 3 . 1 1 63 63 LEU H H 370 8.419 8.419 8.491 -0.072 18296 1154 1 3 . 1 1 64 64 THR N N 371 114.722 114.722 111.253 3.469 18296 1155 1 3 . 1 1 64 64 THR HA H 371 4.306 4.306 4.549 -0.243 18296 1156 1 3 . 1 1 64 64 THR C C 371 178.158 178.158 174.947 3.211 18296 1157 1 3 . 1 1 64 64 THR CA C 371 61.196 61.196 61.688 -0.492 18296 1158 1 3 . 1 1 64 64 THR CB C 371 70.416 70.416 69.206 1.210 18296 1159 1 3 . 1 1 64 64 THR H H 371 7.966 7.966 7.817 0.149 18296 1160 1 3 . 1 1 65 65 GLY N N 372 111.711 111.711 111.203 0.508 18296 1161 1 3 . 1 1 65 65 GLY C C 372 178.512 178.512 174.967 3.545 18296 1162 1 3 . 1 1 65 65 GLY CA C 372 46.227 46.227 45.395 0.832 18296 1163 1 3 . 1 1 65 65 GLY H H 372 8.565 8.565 8.285 0.280 18296 1164 1 3 . 1 1 66 66 GLY N N 373 108.771 108.771 111.370 -2.599 18296 1165 1 3 . 1 1 66 66 GLY C C 373 178.999 178.999 175.514 3.485 18296 1166 1 3 . 1 1 66 66 GLY CA C 373 45.287 45.287 45.321 -0.034 18296 1167 1 3 . 1 1 66 66 GLY H H 373 8.227 8.227 8.037 0.190 18296 1168 1 3 . 1 1 67 67 GLY N N 374 108.901 108.901 107.805 1.096 18296 1169 1 3 . 1 1 67 67 GLY C C 374 179.721 179.721 173.586 6.135 18296 1170 1 3 . 1 1 67 67 GLY CA C 374 44.987 44.987 44.782 0.205 18296 1171 1 3 . 1 1 67 67 GLY H H 374 7.876 7.876 7.861 0.015 18296 1172 1 3 . 1 1 68 68 THR N N 375 114.505 114.505 113.988 0.517 18296 1173 1 3 . 1 1 68 68 THR HA H 375 4.450 4.450 4.486 -0.036 18296 1174 1 3 . 1 1 68 68 THR C C 375 178.997 178.997 172.773 6.224 18296 1175 1 3 . 1 1 68 68 THR CA C 375 61.900 61.900 61.845 0.055 18296 1176 1 3 . 1 1 68 68 THR CB C 375 70.047 70.047 69.471 0.576 18296 1177 1 3 . 1 1 68 68 THR H H 375 8.112 8.112 8.044 0.068 18296 1178 1 3 . 1 1 69 69 THR N N 376 118.054 118.054 117.506 0.548 18296 1179 1 3 . 1 1 69 69 THR HA H 376 4.302 4.302 4.369 -0.067 18296 1180 1 3 . 1 1 69 69 THR C C 376 180.403 180.403 173.670 6.733 18296 1181 1 3 . 1 1 69 69 THR CA C 376 61.114 61.114 60.802 0.312 18296 1182 1 3 . 1 1 69 69 THR CB C 376 70.422 70.422 71.091 -0.669 18296 1183 1 3 . 1 1 69 69 THR H H 376 8.259 8.259 7.860 0.399 18296 1184 1 3 . 1 1 70 70 PHE N N 377 122.009 122.009 123.315 -1.306 18296 1185 1 3 . 1 1 70 70 PHE HA H 377 4.910 4.910 4.777 0.133 18296 1186 1 3 . 1 1 70 70 PHE C C 377 177.972 177.972 174.947 3.025 18296 1187 1 3 . 1 1 70 70 PHE CA C 377 57.227 57.227 57.238 -0.011 18296 1188 1 3 . 1 1 70 70 PHE CB C 377 40.873 40.873 39.245 1.628 18296 1189 1 3 . 1 1 70 70 PHE H H 377 8.351 8.351 7.903 0.448 18296 1190 1 3 . 1 1 71 71 SER N N 378 117.853 117.853 115.975 1.878 18296 1191 1 3 . 1 1 71 71 SER HA H 378 4.493 4.493 4.780 -0.287 18296 1192 1 3 . 1 1 71 71 SER C C 378 180.063 180.063 172.758 7.305 18296 1193 1 3 . 1 1 71 71 SER CA C 378 57.276 57.276 57.950 -0.674 18296 1194 1 3 . 1 1 71 71 SER CB C 378 64.612 64.612 65.928 -1.316 18296 1195 1 3 . 1 1 71 71 SER H H 378 8.519 8.519 8.450 0.069 18296 1196 1 3 . 1 1 72 72 VAL N N 379 120.162 120.162 119.964 0.198 18296 1197 1 3 . 1 1 72 72 VAL HA H 379 4.441 4.441 4.465 -0.024 18296 1198 1 3 . 1 1 72 72 VAL C C 379 178.192 178.192 174.147 4.045 18296 1199 1 3 . 1 1 72 72 VAL CA C 379 61.369 61.369 61.211 0.158 18296 1200 1 3 . 1 1 72 72 VAL CB C 379 33.944 33.944 34.653 -0.709 18296 1201 1 3 . 1 1 72 72 VAL H H 379 8.277 8.277 8.438 -0.161 18296 1202 1 3 . 1 1 73 73 ARG N N 380 126.538 126.538 125.099 1.439 18296 1203 1 3 . 1 1 73 73 ARG HA H 380 4.430 4.430 4.626 -0.196 18296 1204 1 3 . 1 1 73 73 ARG C C 380 177.524 177.524 174.522 3.002 18296 1205 1 3 . 1 1 73 73 ARG CA C 380 54.744 54.744 54.807 -0.063 18296 1206 1 3 . 1 1 73 73 ARG CB C 380 32.635 32.635 33.151 -0.516 18296 1207 1 3 . 1 1 73 73 ARG H H 380 8.727 8.727 8.171 0.556 18296 1208 1 3 . 1 1 74 74 LYS N N 381 126.485 126.485 125.801 0.684 18296 1209 1 3 . 1 1 74 74 LYS HA H 381 4.613 4.613 4.466 0.147 18296 1210 1 3 . 1 1 74 74 LYS C C 381 178.050 178.050 175.581 2.469 18296 1211 1 3 . 1 1 74 74 LYS CA C 381 56.325 56.325 55.204 1.121 18296 1212 1 3 . 1 1 74 74 LYS CB C 381 33.149 33.149 34.452 -1.303 18296 1213 1 3 . 1 1 74 74 LYS H H 381 8.636 8.636 8.596 0.040 18296 1214 1 3 . 1 1 75 75 THR N N 382 120.767 120.767 119.099 1.668 18296 1215 1 3 . 1 1 75 75 THR HA H 382 3.791 3.791 4.345 -0.554 18296 1216 1 3 . 1 1 75 75 THR C C 382 181.578 181.578 171.651 9.927 18296 1217 1 3 . 1 1 75 75 THR CA C 382 61.703 61.703 61.345 0.358 18296 1218 1 3 . 1 1 75 75 THR CB C 382 70.771 70.771 71.495 -0.724 18296 1219 1 3 . 1 1 75 75 THR H H 382 8.544 8.544 8.257 0.287 18296 1220 1 3 . 1 1 76 76 ALA N N 383 126.390 126.390 124.296 2.094 18296 1221 1 3 . 1 1 76 76 ALA HA H 383 5.358 5.358 4.491 0.867 18296 1222 1 3 . 1 1 76 76 ALA C C 383 178.931 178.931 174.875 4.056 18296 1223 1 3 . 1 1 76 76 ALA CA C 383 50.669 50.669 51.871 -1.202 18296 1224 1 3 . 1 1 76 76 ALA CB C 383 24.682 24.682 22.315 2.367 18296 1225 1 3 . 1 1 76 76 ALA H H 383 7.981 7.981 8.292 -0.311 18296 1226 1 3 . 1 1 77 77 TYR N N 384 116.182 116.182 119.390 -3.208 18296 1227 1 3 . 1 1 77 77 TYR HA H 384 5.920 5.920 4.959 0.961 18296 1228 1 3 . 1 1 77 77 TYR C C 384 177.384 177.384 176.574 0.810 18296 1229 1 3 . 1 1 77 77 TYR CA C 384 56.234 56.234 56.395 -0.161 18296 1230 1 3 . 1 1 77 77 TYR CB C 384 43.201 43.201 40.563 2.638 18296 1231 1 3 . 1 1 77 77 TYR H H 384 7.899 7.899 7.878 0.021 18296 1232 1 3 . 1 1 78 78 CYS N N 385 121.146 121.146 120.037 1.109 18296 1233 1 3 . 1 1 78 78 CYS HA H 385 4.312 4.312 3.961 0.351 18296 1234 1 3 . 1 1 78 78 CYS C C 385 178.543 178.543 176.156 2.387 18296 1235 1 3 . 1 1 78 78 CYS CA C 385 58.293 58.293 58.525 -0.232 18296 1236 1 3 . 1 1 78 78 CYS CB C 385 29.815 29.815 28.787 1.028 18296 1237 1 3 . 1 1 78 78 CYS H H 385 9.855 9.855 8.529 1.326 18296 1238 1 3 . 1 1 79 79 ASP N N 386 115.334 115.334 121.176 -5.842 18296 1239 1 3 . 1 1 79 79 ASP HA H 386 3.946 3.946 4.442 -0.496 18296 1240 1 3 . 1 1 79 79 ASP C C 386 175.510 175.510 177.716 -2.206 18296 1241 1 3 . 1 1 79 79 ASP CA C 386 57.118 57.118 56.935 0.183 18296 1242 1 3 . 1 1 79 79 ASP CB C 386 40.495 40.495 41.316 -0.821 18296 1243 1 3 . 1 1 79 79 ASP H H 386 7.657 7.657 8.207 -0.550 18296 1244 1 3 . 1 1 80 80 VAL N N 387 119.872 119.872 113.648 6.224 18296 1245 1 3 . 1 1 80 80 VAL HA H 387 3.579 3.579 4.107 -0.528 18296 1246 1 3 . 1 1 80 80 VAL C C 387 176.437 176.437 175.902 0.535 18296 1247 1 3 . 1 1 80 80 VAL CA C 387 64.272 64.272 62.882 1.390 18296 1248 1 3 . 1 1 80 80 VAL CB C 387 31.798 31.798 30.557 1.241 18296 1249 1 3 . 1 1 80 80 VAL H H 387 7.601 7.601 7.724 -0.123 18296 1250 1 3 . 1 1 81 81 HIS N N 388 119.244 119.244 119.371 -0.127 18296 1251 1 3 . 1 1 81 81 HIS HA H 388 4.632 4.632 4.525 0.107 18296 1252 1 3 . 1 1 81 81 HIS C C 388 180.644 180.644 176.385 4.259 18296 1253 1 3 . 1 1 81 81 HIS CA C 388 56.212 56.212 58.694 -2.482 18296 1254 1 3 . 1 1 81 81 HIS CB C 388 31.774 31.774 31.477 0.297 18296 1255 1 3 . 1 1 81 81 HIS H H 388 7.385 7.385 7.596 -0.211 18296 1256 1 3 . 1 1 82 82 THR N N 389 117.899 117.899 114.262 3.637 18296 1257 1 3 . 1 1 82 82 THR HA H 389 3.733 3.733 4.343 -0.610 18296 1258 1 3 . 1 1 82 82 THR C C 389 181.155 181.155 173.977 7.178 18296 1259 1 3 . 1 1 82 82 THR CA C 389 61.844 61.844 64.472 -2.628 18296 1260 1 3 . 1 1 82 82 THR CB C 389 70.285 70.285 66.907 3.378 18296 1261 1 3 . 1 1 82 82 THR H H 389 7.133 7.133 7.719 -0.586 18296 1262 1 3 . 1 1 83 83 PRO HA H 390 4.192 4.192 4.398 -0.206 18296 1263 1 3 . 1 1 83 83 PRO CA C 390 61.509 61.509 64.287 -2.778 18296 1264 1 3 . 1 1 83 83 PRO CB C 390 30.773 30.773 30.022 0.751 18296 1265 1 3 . 1 1 84 84 PRO HA H 391 4.220 4.220 4.327 -0.107 18296 1266 1 3 . 1 1 84 84 PRO C C 391 175.949 175.949 177.444 -1.495 18296 1267 1 3 . 1 1 84 84 PRO CA C 391 63.032 63.032 63.691 -0.659 18296 1268 1 3 . 1 1 84 84 PRO CB C 391 31.983 31.983 31.435 0.548 18296 1269 1 3 . 1 1 85 85 GLY N N 392 109.626 109.626 113.431 -3.805 18296 1270 1 3 . 1 1 85 85 GLY C C 392 179.223 179.223 173.752 5.471 18296 1271 1 3 . 1 1 85 85 GLY CA C 392 45.359 45.359 44.755 0.604 18296 1272 1 3 . 1 1 85 85 GLY H H 392 8.367 8.367 8.440 -0.073 18296 1273 1 3 . 1 1 86 86 SER N N 393 115.675 115.675 115.694 -0.019 18296 1274 1 3 . 1 1 86 86 SER HA H 393 4.354 4.354 4.321 0.033 18296 1275 1 3 . 1 1 86 86 SER C C 393 179.569 179.569 173.973 5.596 18296 1276 1 3 . 1 1 86 86 SER CA C 393 58.521 58.521 59.281 -0.760 18296 1277 1 3 . 1 1 86 86 SER CB C 393 63.913 63.913 63.046 0.867 18296 1278 1 3 . 1 1 86 86 SER H H 393 8.022 8.022 8.439 -0.417 18296 1279 1 4 . 1 1 10 10 ASN N N 317 120.101 120.101 120.111 -0.010 18296 1280 1 4 . 1 1 10 10 ASN HA H 317 4.501 4.501 5.105 -0.604 18296 1281 1 4 . 1 1 10 10 ASN C C 317 179.015 179.015 174.431 4.584 18296 1282 1 4 . 1 1 10 10 ASN CA C 317 53.191 53.191 53.953 -0.762 18296 1283 1 4 . 1 1 10 10 ASN CB C 317 38.650 38.650 39.798 -1.148 18296 1284 1 4 . 1 1 10 10 ASN H H 317 8.415 8.415 8.661 -0.246 18296 1285 1 4 . 1 1 11 11 ILE N N 318 122.869 122.869 119.421 3.448 18296 1286 1 4 . 1 1 11 11 ILE HA H 318 4.250 4.250 4.713 -0.464 18296 1287 1 4 . 1 1 11 11 ILE C C 318 179.506 179.506 173.968 5.538 18296 1288 1 4 . 1 1 11 11 ILE CA C 318 58.332 58.332 59.566 -1.234 18296 1289 1 4 . 1 1 11 11 ILE CB C 318 38.713 38.713 40.440 -1.727 18296 1290 1 4 . 1 1 11 11 ILE H H 318 7.924 7.924 8.002 -0.078 18296 1291 1 4 . 1 1 12 12 PRO HA H 319 4.359 4.359 4.450 -0.091 18296 1292 1 4 . 1 1 12 12 PRO CA C 319 61.487 61.487 63.909 -2.422 18296 1293 1 4 . 1 1 12 12 PRO CB C 319 30.960 30.960 30.417 0.543 18296 1294 1 4 . 1 1 13 13 PRO HA H 320 3.968 3.968 4.493 -0.525 18296 1295 1 4 . 1 1 13 13 PRO C C 320 176.730 176.730 175.641 1.089 18296 1296 1 4 . 1 1 13 13 PRO CA C 320 62.874 62.874 62.312 0.562 18296 1297 1 4 . 1 1 13 13 PRO CB C 320 31.948 31.948 32.462 -0.514 18296 1298 1 4 . 1 1 14 14 ALA N N 321 123.469 123.469 123.672 -0.203 18296 1299 1 4 . 1 1 14 14 ALA HA H 321 3.952 3.952 4.759 -0.807 18296 1300 1 4 . 1 1 14 14 ALA C C 321 175.208 175.208 177.299 -2.091 18296 1301 1 4 . 1 1 14 14 ALA CA C 321 52.876 52.876 52.386 0.490 18296 1302 1 4 . 1 1 14 14 ALA CB C 321 18.896 18.896 19.497 -0.601 18296 1303 1 4 . 1 1 14 14 ALA H H 321 8.108 8.108 8.118 -0.010 18296 1304 1 4 . 1 1 15 15 ARG N N 322 118.725 118.725 120.179 -1.454 18296 1305 1 4 . 1 1 15 15 ARG HA H 322 3.943 3.943 4.351 -0.408 18296 1306 1 4 . 1 1 15 15 ARG C C 322 176.870 176.870 176.848 0.022 18296 1307 1 4 . 1 1 15 15 ARG CA C 322 56.737 56.737 57.917 -1.180 18296 1308 1 4 . 1 1 15 15 ARG CB C 322 30.230 30.230 30.659 -0.429 18296 1309 1 4 . 1 1 15 15 ARG H H 322 8.077 8.077 8.227 -0.150 18296 1310 1 4 . 1 1 16 16 TRP N N 323 120.113 120.113 119.888 0.225 18296 1311 1 4 . 1 1 16 16 TRP HA H 323 4.471 4.471 4.624 -0.153 18296 1312 1 4 . 1 1 16 16 TRP C C 323 177.322 177.322 175.364 1.958 18296 1313 1 4 . 1 1 16 16 TRP CA C 323 57.143 57.143 54.495 2.648 18296 1314 1 4 . 1 1 16 16 TRP CB C 323 29.192 29.192 26.776 2.416 18296 1315 1 4 . 1 1 16 16 TRP H H 323 7.634 7.634 8.239 -0.605 18296 1316 1 4 . 1 1 17 17 LYS N N 324 121.400 121.400 122.431 -1.031 18296 1317 1 4 . 1 1 17 17 LYS HA H 324 3.951 3.951 4.266 -0.315 18296 1318 1 4 . 1 1 17 17 LYS C C 324 179.457 179.457 175.455 4.002 18296 1319 1 4 . 1 1 17 17 LYS CA C 324 56.502 56.502 55.849 0.653 18296 1320 1 4 . 1 1 17 17 LYS CB C 324 32.867 32.867 32.615 0.252 18296 1321 1 4 . 1 1 17 17 LYS H H 324 7.735 7.735 7.953 -0.218 18296 1322 1 4 . 1 1 18 18 LEU N N 325 121.064 121.064 118.930 2.134 18296 1323 1 4 . 1 1 18 18 LEU HA H 325 4.141 4.141 4.032 0.109 18296 1324 1 4 . 1 1 18 18 LEU C C 325 176.781 176.781 174.882 1.899 18296 1325 1 4 . 1 1 18 18 LEU CA C 325 54.574 54.574 55.125 -0.551 18296 1326 1 4 . 1 1 18 18 LEU CB C 325 42.252 42.252 41.532 0.720 18296 1327 1 4 . 1 1 18 18 LEU H H 325 7.708 7.708 7.714 -0.006 18296 1328 1 4 . 1 1 19 19 THR N N 326 117.252 117.252 113.910 3.342 18296 1329 1 4 . 1 1 19 19 THR HA H 326 3.935 3.935 4.561 -0.626 18296 1330 1 4 . 1 1 19 19 THR C C 326 180.854 180.854 173.152 7.702 18296 1331 1 4 . 1 1 19 19 THR CA C 326 61.977 61.977 61.079 0.898 18296 1332 1 4 . 1 1 19 19 THR CB C 326 70.166 70.166 70.770 -0.604 18296 1333 1 4 . 1 1 19 19 THR H H 326 7.915 7.915 7.942 -0.027 18296 1334 1 4 . 1 1 20 20 CYS N N 327 127.254 127.254 125.564 1.690 18296 1335 1 4 . 1 1 20 20 CYS HA H 327 4.324 4.324 5.018 -0.694 18296 1336 1 4 . 1 1 20 20 CYS C C 327 175.898 175.898 176.854 -0.956 18296 1337 1 4 . 1 1 20 20 CYS CA C 327 57.928 57.928 57.391 0.537 18296 1338 1 4 . 1 1 20 20 CYS CB C 327 31.298 31.298 27.364 3.934 18296 1339 1 4 . 1 1 20 20 CYS H H 327 8.055 8.055 8.729 -0.674 18296 1340 1 4 . 1 1 21 21 TYR N N 328 129.752 129.752 127.276 2.476 18296 1341 1 4 . 1 1 21 21 TYR HA H 328 4.488 4.488 4.403 0.085 18296 1342 1 4 . 1 1 21 21 TYR C C 328 178.625 178.625 176.224 2.401 18296 1343 1 4 . 1 1 21 21 TYR CA C 328 58.951 58.951 59.785 -0.834 18296 1344 1 4 . 1 1 21 21 TYR CB C 328 37.712 37.712 37.883 -0.171 18296 1345 1 4 . 1 1 21 21 TYR H H 328 9.082 9.082 8.727 0.355 18296 1346 1 4 . 1 1 22 22 LEU N N 329 124.057 124.057 119.277 4.780 18296 1347 1 4 . 1 1 22 22 LEU HA H 329 3.749 3.749 4.393 -0.644 18296 1348 1 4 . 1 1 22 22 LEU C C 329 176.268 176.268 176.811 -0.543 18296 1349 1 4 . 1 1 22 22 LEU CA C 329 56.514 56.514 54.525 1.989 18296 1350 1 4 . 1 1 22 22 LEU CB C 329 42.975 42.975 42.097 0.878 18296 1351 1 4 . 1 1 22 22 LEU H H 329 8.140 8.140 7.462 0.678 18296 1352 1 4 . 1 1 23 23 CYS N N 330 117.734 117.734 117.099 0.635 18296 1353 1 4 . 1 1 23 23 CYS HA H 330 4.741 4.741 4.790 -0.049 18296 1354 1 4 . 1 1 23 23 CYS C C 330 177.769 177.769 172.998 4.771 18296 1355 1 4 . 1 1 23 23 CYS CA C 330 58.459 58.459 57.718 0.741 18296 1356 1 4 . 1 1 23 23 CYS CB C 330 30.918 30.918 31.401 -0.483 18296 1357 1 4 . 1 1 23 23 CYS H H 330 7.971 7.971 7.409 0.562 18296 1358 1 4 . 1 1 24 24 LYS N N 331 118.437 118.437 120.550 -2.113 18296 1359 1 4 . 1 1 24 24 LYS HA H 331 3.980 3.980 4.464 -0.484 18296 1360 1 4 . 1 1 24 24 LYS C C 331 178.178 178.178 175.243 2.935 18296 1361 1 4 . 1 1 24 24 LYS CA C 331 57.520 57.520 56.453 1.067 18296 1362 1 4 . 1 1 24 24 LYS CB C 331 29.278 29.278 32.708 -3.430 18296 1363 1 4 . 1 1 24 24 LYS H H 331 7.842 7.842 8.435 -0.593 18296 1364 1 4 . 1 1 25 25 GLN N N 332 118.445 118.445 118.199 0.246 18296 1365 1 4 . 1 1 25 25 GLN HA H 332 4.574 4.574 4.572 0.002 18296 1366 1 4 . 1 1 25 25 GLN C C 332 177.619 177.619 175.214 2.405 18296 1367 1 4 . 1 1 25 25 GLN CA C 332 54.362 54.362 54.965 -0.603 18296 1368 1 4 . 1 1 25 25 GLN CB C 332 31.843 31.843 29.983 1.860 18296 1369 1 4 . 1 1 25 25 GLN H H 332 8.306 8.306 7.957 0.349 18296 1370 1 4 . 1 1 26 26 LYS N N 333 122.851 122.851 126.808 -3.957 18296 1371 1 4 . 1 1 26 26 LYS HA H 333 4.222 4.222 4.446 -0.224 18296 1372 1 4 . 1 1 26 26 LYS C C 333 175.456 175.456 175.791 -0.335 18296 1373 1 4 . 1 1 26 26 LYS CA C 333 57.729 57.729 55.832 1.897 18296 1374 1 4 . 1 1 26 26 LYS CB C 333 32.925 32.925 31.604 1.321 18296 1375 1 4 . 1 1 26 26 LYS H H 333 8.545 8.545 8.820 -0.275 18296 1376 1 4 . 1 1 27 27 GLY N N 334 107.216 107.216 110.900 -3.684 18296 1377 1 4 . 1 1 27 27 GLY C C 334 180.017 180.017 173.611 6.406 18296 1378 1 4 . 1 1 27 27 GLY CA C 334 45.559 45.559 45.404 0.155 18296 1379 1 4 . 1 1 27 27 GLY H H 334 8.348 8.348 8.067 0.281 18296 1380 1 4 . 1 1 28 28 VAL N N 335 117.437 117.437 118.831 -1.394 18296 1381 1 4 . 1 1 28 28 VAL HA H 335 4.133 4.133 4.389 -0.256 18296 1382 1 4 . 1 1 28 28 VAL C C 335 177.439 177.439 175.399 2.040 18296 1383 1 4 . 1 1 28 28 VAL CA C 335 61.502 61.502 61.980 -0.478 18296 1384 1 4 . 1 1 28 28 VAL CB C 335 33.563 33.563 31.952 1.611 18296 1385 1 4 . 1 1 28 28 VAL H H 335 7.867 7.867 8.092 -0.225 18296 1386 1 4 . 1 1 29 29 GLY N N 336 110.723 110.723 110.992 -0.269 18296 1387 1 4 . 1 1 29 29 GLY C C 336 180.088 180.088 173.879 6.209 18296 1388 1 4 . 1 1 29 29 GLY CA C 336 44.344 44.344 45.983 -1.639 18296 1389 1 4 . 1 1 29 29 GLY H H 336 8.186 8.186 8.705 -0.519 18296 1390 1 4 . 1 1 30 30 ALA N N 337 122.643 122.643 123.184 -0.541 18296 1391 1 4 . 1 1 30 30 ALA HA H 337 4.193 4.193 4.806 -0.613 18296 1392 1 4 . 1 1 30 30 ALA C C 337 175.274 175.274 175.439 -0.165 18296 1393 1 4 . 1 1 30 30 ALA CA C 337 52.904 52.904 51.329 1.575 18296 1394 1 4 . 1 1 30 30 ALA CB C 337 19.677 19.677 20.918 -1.241 18296 1395 1 4 . 1 1 30 30 ALA H H 337 8.269 8.269 7.953 0.316 18296 1396 1 4 . 1 1 31 31 SER N N 338 117.644 117.644 115.648 1.996 18296 1397 1 4 . 1 1 31 31 SER HA H 338 4.775 4.775 4.912 -0.137 18296 1398 1 4 . 1 1 31 31 SER C C 338 180.923 180.923 173.130 7.793 18296 1399 1 4 . 1 1 31 31 SER CA C 338 57.406 57.406 57.654 -0.248 18296 1400 1 4 . 1 1 31 31 SER CB C 338 65.388 65.388 65.559 -0.171 18296 1401 1 4 . 1 1 31 31 SER H H 338 8.415 8.415 8.345 0.070 18296 1402 1 4 . 1 1 32 32 ILE N N 339 121.240 121.240 123.361 -2.121 18296 1403 1 4 . 1 1 32 32 ILE HA H 339 4.123 4.123 4.488 -0.365 18296 1404 1 4 . 1 1 32 32 ILE C C 339 181.302 181.302 173.400 7.902 18296 1405 1 4 . 1 1 32 32 ILE CA C 339 59.768 59.768 59.510 0.258 18296 1406 1 4 . 1 1 32 32 ILE CB C 339 41.252 41.252 41.727 -0.475 18296 1407 1 4 . 1 1 32 32 ILE H H 339 8.522 8.522 8.943 -0.421 18296 1408 1 4 . 1 1 33 33 GLN N N 340 120.384 120.384 126.485 -6.101 18296 1409 1 4 . 1 1 33 33 GLN HA H 340 4.335 4.335 4.915 -0.580 18296 1410 1 4 . 1 1 33 33 GLN C C 340 179.377 179.377 175.177 4.200 18296 1411 1 4 . 1 1 33 33 GLN CA C 340 53.739 53.739 54.390 -0.651 18296 1412 1 4 . 1 1 33 33 GLN CB C 340 32.179 32.179 30.912 1.268 18296 1413 1 4 . 1 1 33 33 GLN H H 340 7.720 7.720 8.293 -0.573 18296 1414 1 4 . 1 1 34 34 CYS N N 341 125.463 125.463 127.725 -2.262 18296 1415 1 4 . 1 1 34 34 CYS HA H 341 4.036 4.036 4.382 -0.346 18296 1416 1 4 . 1 1 34 34 CYS C C 341 178.269 178.269 176.132 2.137 18296 1417 1 4 . 1 1 34 34 CYS CA C 341 60.992 60.992 59.471 1.521 18296 1418 1 4 . 1 1 34 34 CYS CB C 341 32.346 32.346 27.756 4.590 18296 1419 1 4 . 1 1 34 34 CYS H H 341 8.292 8.292 9.028 -0.736 18296 1420 1 4 . 1 1 35 35 HIS N N 342 126.611 126.611 128.317 -1.706 18296 1421 1 4 . 1 1 35 35 HIS HA H 342 4.128 4.128 4.248 -0.120 18296 1422 1 4 . 1 1 35 35 HIS CA C 342 57.556 57.556 57.743 -0.187 18296 1423 1 4 . 1 1 35 35 HIS CB C 342 29.945 29.945 30.914 -0.969 18296 1424 1 4 . 1 1 35 35 HIS H H 342 8.722 8.722 8.588 0.134 18296 1425 1 4 . 1 1 36 36 LYS N N 343 124.049 124.049 117.441 6.608 18296 1426 1 4 . 1 1 36 36 LYS HA H 343 3.940 3.940 3.852 0.088 18296 1427 1 4 . 1 1 36 36 LYS C C 343 176.701 176.701 176.434 0.267 18296 1428 1 4 . 1 1 36 36 LYS CA C 343 56.155 56.155 56.376 -0.221 18296 1429 1 4 . 1 1 36 36 LYS CB C 343 33.033 33.033 32.143 0.890 18296 1430 1 4 . 1 1 36 36 LYS H H 343 8.567 8.567 8.110 0.457 18296 1431 1 4 . 1 1 37 37 ALA N N 344 130.751 130.751 128.390 2.361 18296 1432 1 4 . 1 1 37 37 ALA HA H 344 3.733 3.733 3.096 0.637 18296 1433 1 4 . 1 1 37 37 ALA C C 344 175.302 175.302 177.729 -2.427 18296 1434 1 4 . 1 1 37 37 ALA CA C 344 53.917 53.917 53.852 0.065 18296 1435 1 4 . 1 1 37 37 ALA CB C 344 18.206 18.206 18.416 -0.210 18296 1436 1 4 . 1 1 37 37 ALA H H 344 8.363 8.363 8.452 -0.089 18296 1437 1 4 . 1 1 38 38 ASN N N 345 114.094 114.094 115.716 -1.622 18296 1438 1 4 . 1 1 38 38 ASN HA H 345 3.885 3.885 4.598 -0.713 18296 1439 1 4 . 1 1 38 38 ASN C C 345 181.195 181.195 176.328 4.867 18296 1440 1 4 . 1 1 38 38 ASN CA C 345 53.606 53.606 54.955 -1.349 18296 1441 1 4 . 1 1 38 38 ASN CB C 345 37.443 37.443 38.767 -1.324 18296 1442 1 4 . 1 1 38 38 ASN H H 345 8.292 8.292 8.443 -0.151 18296 1443 1 4 . 1 1 39 39 CYS N N 346 121.417 121.417 118.128 3.289 18296 1444 1 4 . 1 1 39 39 CYS C C 346 178.723 178.723 175.257 3.466 18296 1445 1 4 . 1 1 39 39 CYS H H 346 7.283 7.283 7.660 -0.377 18296 1446 1 4 . 1 1 40 40 TYR HA H 347 4.212 4.212 4.253 -0.041 18296 1447 1 4 . 1 1 40 40 TYR C C 347 178.156 178.156 174.392 3.764 18296 1448 1 4 . 1 1 40 40 TYR CA C 347 56.478 56.478 58.880 -2.402 18296 1449 1 4 . 1 1 40 40 TYR CB C 347 37.446 37.446 35.967 1.479 18296 1450 1 4 . 1 1 40 40 TYR H H 347 7.923 7.923 8.077 -0.154 18296 1451 1 4 . 1 1 41 41 THR N N 348 122.674 122.674 117.980 4.694 18296 1452 1 4 . 1 1 41 41 THR HA H 348 3.806 3.806 4.695 -0.889 18296 1453 1 4 . 1 1 41 41 THR C C 348 182.343 182.343 173.737 8.606 18296 1454 1 4 . 1 1 41 41 THR CA C 348 64.932 64.932 62.197 2.735 18296 1455 1 4 . 1 1 41 41 THR CB C 348 68.772 68.772 69.417 -0.645 18296 1456 1 4 . 1 1 41 41 THR H H 348 8.421 8.421 7.874 0.547 18296 1457 1 4 . 1 1 42 42 ALA N N 349 130.177 130.177 131.103 -0.926 18296 1458 1 4 . 1 1 42 42 ALA HA H 349 4.967 4.967 5.255 -0.288 18296 1459 1 4 . 1 1 42 42 ALA C C 349 176.955 176.955 176.154 0.801 18296 1460 1 4 . 1 1 42 42 ALA CA C 349 49.997 49.997 50.858 -0.861 18296 1461 1 4 . 1 1 42 42 ALA CB C 349 23.467 23.467 20.598 2.869 18296 1462 1 4 . 1 1 42 42 ALA H H 349 8.856 8.856 9.016 -0.160 18296 1463 1 4 . 1 1 43 43 PHE N N 350 113.053 113.053 119.052 -5.999 18296 1464 1 4 . 1 1 43 43 PHE HA H 350 5.525 5.525 4.747 0.778 18296 1465 1 4 . 1 1 43 43 PHE C C 350 177.894 177.894 173.709 4.185 18296 1466 1 4 . 1 1 43 43 PHE CA C 350 53.625 53.625 56.222 -2.597 18296 1467 1 4 . 1 1 43 43 PHE CB C 350 39.459 39.459 41.102 -1.643 18296 1468 1 4 . 1 1 43 43 PHE H H 350 7.912 7.912 8.829 -0.917 18296 1469 1 4 . 1 1 44 44 HIS N N 351 118.497 118.497 119.784 -1.287 18296 1470 1 4 . 1 1 44 44 HIS HA H 351 4.892 4.892 4.763 0.129 18296 1471 1 4 . 1 1 44 44 HIS C C 351 176.371 176.371 177.075 -0.704 18296 1472 1 4 . 1 1 44 44 HIS CA C 351 58.019 58.019 56.970 1.049 18296 1473 1 4 . 1 1 44 44 HIS CB C 351 31.716 31.716 29.962 1.754 18296 1474 1 4 . 1 1 44 44 HIS H H 351 9.335 9.335 8.377 0.958 18296 1475 1 4 . 1 1 45 45 VAL N N 352 124.407 124.407 122.180 2.227 18296 1476 1 4 . 1 1 45 45 VAL HA H 352 3.476 3.476 3.776 -0.300 18296 1477 1 4 . 1 1 45 45 VAL C C 352 175.305 175.305 177.782 -2.477 18296 1478 1 4 . 1 1 45 45 VAL CA C 352 67.359 67.359 66.618 0.742 18296 1479 1 4 . 1 1 45 45 VAL CB C 352 31.627 31.627 31.603 0.024 18296 1480 1 4 . 1 1 45 45 VAL H H 352 8.654 8.654 8.357 0.297 18296 1481 1 4 . 1 1 46 46 THR N N 353 111.166 111.166 114.930 -3.764 18296 1482 1 4 . 1 1 46 46 THR HA H 353 3.997 3.997 4.054 -0.057 18296 1483 1 4 . 1 1 46 46 THR C C 353 175.010 175.010 175.908 -0.898 18296 1484 1 4 . 1 1 46 46 THR CA C 353 65.008 65.008 65.617 -0.609 18296 1485 1 4 . 1 1 46 46 THR CB C 353 67.830 67.830 68.516 -0.687 18296 1486 1 4 . 1 1 46 46 THR H H 353 8.370 8.370 8.354 0.016 18296 1487 1 4 . 1 1 47 47 CYS N N 354 120.975 120.975 119.731 1.244 18296 1488 1 4 . 1 1 47 47 CYS HA H 354 3.762 3.762 4.299 -0.537 18296 1489 1 4 . 1 1 47 47 CYS C C 354 175.912 175.912 177.054 -1.142 18296 1490 1 4 . 1 1 47 47 CYS CA C 354 63.372 63.372 62.361 1.011 18296 1491 1 4 . 1 1 47 47 CYS CB C 354 29.076 29.076 26.002 3.074 18296 1492 1 4 . 1 1 47 47 CYS H H 354 6.668 6.668 8.591 -1.923 18296 1493 1 4 . 1 1 48 48 ALA N N 355 123.247 123.247 123.371 -0.124 18296 1494 1 4 . 1 1 48 48 ALA HA H 355 3.511 3.511 4.073 -0.562 18296 1495 1 4 . 1 1 48 48 ALA C C 355 174.031 174.031 179.447 -5.416 18296 1496 1 4 . 1 1 48 48 ALA CA C 355 55.045 55.045 55.148 -0.103 18296 1497 1 4 . 1 1 48 48 ALA CB C 355 19.962 19.962 18.728 1.234 18296 1498 1 4 . 1 1 48 48 ALA H H 355 8.481 8.481 7.926 0.555 18296 1499 1 4 . 1 1 49 49 GLN N N 356 118.150 118.150 117.680 0.470 18296 1500 1 4 . 1 1 49 49 GLN HA H 356 4.003 4.003 4.000 0.003 18296 1501 1 4 . 1 1 49 49 GLN C C 356 173.755 173.755 178.689 -4.934 18296 1502 1 4 . 1 1 49 49 GLN CA C 356 58.728 58.728 58.859 -0.131 18296 1503 1 4 . 1 1 49 49 GLN CB C 356 28.196 28.196 28.739 -0.543 18296 1504 1 4 . 1 1 49 49 GLN H H 356 8.055 8.055 7.846 0.209 18296 1505 1 4 . 1 1 50 50 LYS N N 357 120.248 120.248 118.192 2.056 18296 1506 1 4 . 1 1 50 50 LYS HA H 357 3.866 3.866 4.191 -0.325 18296 1507 1 4 . 1 1 50 50 LYS C C 357 175.624 175.624 178.256 -2.632 18296 1508 1 4 . 1 1 50 50 LYS CA C 357 58.989 58.989 57.782 1.207 18296 1509 1 4 . 1 1 50 50 LYS CB C 357 32.377 32.377 32.806 -0.429 18296 1510 1 4 . 1 1 50 50 LYS H H 357 7.628 7.628 8.034 -0.406 18296 1511 1 4 . 1 1 51 51 ALA N N 358 118.343 118.343 120.270 -1.927 18296 1512 1 4 . 1 1 51 51 ALA HA H 358 4.138 4.138 4.220 -0.082 18296 1513 1 4 . 1 1 51 51 ALA C C 358 176.132 176.132 178.036 -1.904 18296 1514 1 4 . 1 1 51 51 ALA CA C 358 52.263 52.263 53.289 -1.026 18296 1515 1 4 . 1 1 51 51 ALA CB C 358 19.690 19.690 19.642 0.048 18296 1516 1 4 . 1 1 51 51 ALA H H 358 7.558 7.558 7.626 -0.068 18296 1517 1 4 . 1 1 52 52 GLY N N 359 107.058 107.058 106.681 0.377 18296 1518 1 4 . 1 1 52 52 GLY C C 359 178.221 178.221 173.886 4.335 18296 1519 1 4 . 1 1 52 52 GLY CA C 359 46.323 46.323 45.043 1.280 18296 1520 1 4 . 1 1 52 52 GLY H H 359 7.481 7.481 8.024 -0.543 18296 1521 1 4 . 1 1 53 53 LEU N N 360 118.335 118.335 117.655 0.680 18296 1522 1 4 . 1 1 53 53 LEU HA H 360 4.002 4.002 4.822 -0.820 18296 1523 1 4 . 1 1 53 53 LEU C C 360 176.917 176.917 176.424 0.493 18296 1524 1 4 . 1 1 53 53 LEU CA C 360 54.926 54.926 52.995 1.931 18296 1525 1 4 . 1 1 53 53 LEU CB C 360 39.949 39.949 43.451 -3.502 18296 1526 1 4 . 1 1 53 53 LEU H H 360 7.502 7.502 7.265 0.237 18296 1527 1 4 . 1 1 54 54 TYR N N 361 124.191 124.191 121.639 2.552 18296 1528 1 4 . 1 1 54 54 TYR HA H 361 4.024 4.024 4.485 -0.461 18296 1529 1 4 . 1 1 54 54 TYR C C 361 178.584 178.584 174.777 3.807 18296 1530 1 4 . 1 1 54 54 TYR CA C 361 59.385 59.385 59.097 0.288 18296 1531 1 4 . 1 1 54 54 TYR CB C 361 39.068 39.068 39.795 -0.728 18296 1532 1 4 . 1 1 54 54 TYR H H 361 9.307 9.307 8.361 0.946 18296 1533 1 4 . 1 1 55 55 MET N N 362 127.473 127.473 127.234 0.239 18296 1534 1 4 . 1 1 55 55 MET HA H 362 4.953 4.953 4.893 0.060 18296 1535 1 4 . 1 1 55 55 MET C C 362 179.342 179.342 174.391 4.951 18296 1536 1 4 . 1 1 55 55 MET CA C 362 54.918 54.918 54.117 0.801 18296 1537 1 4 . 1 1 55 55 MET CB C 362 35.857 35.857 36.259 -0.402 18296 1538 1 4 . 1 1 55 55 MET H H 362 7.575 7.575 7.783 -0.208 18296 1539 1 4 . 1 1 56 56 LYS N N 363 124.429 124.429 125.491 -1.062 18296 1540 1 4 . 1 1 56 56 LYS HA H 363 4.339 4.339 4.500 -0.161 18296 1541 1 4 . 1 1 56 56 LYS C C 363 178.541 178.541 175.055 3.486 18296 1542 1 4 . 1 1 56 56 LYS CA C 363 54.939 54.939 55.989 -1.050 18296 1543 1 4 . 1 1 56 56 LYS CB C 363 35.977 35.977 34.389 1.588 18296 1544 1 4 . 1 1 56 56 LYS H H 363 8.575 8.575 8.962 -0.387 18296 1545 1 4 . 1 1 57 57 MET N N 364 123.350 123.350 124.410 -1.060 18296 1546 1 4 . 1 1 57 57 MET HA H 364 4.801 4.801 4.805 -0.004 18296 1547 1 4 . 1 1 57 57 MET C C 364 178.016 178.016 174.967 3.049 18296 1548 1 4 . 1 1 57 57 MET CA C 364 54.111 54.111 55.233 -1.122 18296 1549 1 4 . 1 1 57 57 MET H H 364 8.484 8.484 8.685 -0.201 18296 1550 1 4 . 1 1 58 58 GLU N N 365 121.319 121.319 123.174 -1.855 18296 1551 1 4 . 1 1 58 58 GLU H H 365 8.193 8.193 9.146 -0.953 18296 1552 1 4 . 1 1 59 59 PRO HA H 366 4.665 4.665 4.286 0.379 18296 1553 1 4 . 1 1 59 59 PRO C C 366 176.742 176.742 175.919 0.823 18296 1554 1 4 . 1 1 59 59 PRO CA C 366 62.524 62.524 62.569 -0.045 18296 1555 1 4 . 1 1 59 59 PRO CB C 366 32.125 32.125 32.357 -0.232 18296 1556 1 4 . 1 1 60 60 VAL N N 367 122.754 122.754 116.901 5.853 18296 1557 1 4 . 1 1 60 60 VAL HA H 367 4.105 4.105 4.487 -0.382 18296 1558 1 4 . 1 1 60 60 VAL C C 367 178.435 178.435 174.287 4.148 18296 1559 1 4 . 1 1 60 60 VAL CA C 367 61.529 61.529 59.728 1.801 18296 1560 1 4 . 1 1 60 60 VAL CB C 367 34.057 34.057 35.162 -1.105 18296 1561 1 4 . 1 1 60 60 VAL H H 367 8.509 8.509 8.189 0.320 18296 1562 1 4 . 1 1 61 61 LYS N N 368 126.381 126.381 122.652 3.729 18296 1563 1 4 . 1 1 61 61 LYS HA H 368 4.180 4.180 4.769 -0.589 18296 1564 1 4 . 1 1 61 61 LYS C C 368 177.499 177.499 175.413 2.086 18296 1565 1 4 . 1 1 61 61 LYS CA C 368 56.047 56.047 55.270 0.777 18296 1566 1 4 . 1 1 61 61 LYS CB C 368 33.313 33.313 31.946 1.367 18296 1567 1 4 . 1 1 61 61 LYS H H 368 8.379 8.379 8.478 -0.099 18296 1568 1 4 . 1 1 62 62 GLU N N 369 123.927 123.927 119.567 4.360 18296 1569 1 4 . 1 1 62 62 GLU HA H 369 4.246 4.246 4.512 -0.266 18296 1570 1 4 . 1 1 62 62 GLU C C 369 177.861 177.861 174.480 3.381 18296 1571 1 4 . 1 1 62 62 GLU CA C 369 55.596 55.596 55.822 -0.226 18296 1572 1 4 . 1 1 62 62 GLU CB C 369 31.289 31.289 31.336 -0.047 18296 1573 1 4 . 1 1 62 62 GLU H H 369 8.355 8.355 7.827 0.528 18296 1574 1 4 . 1 1 63 63 LEU N N 370 124.406 124.406 119.430 4.976 18296 1575 1 4 . 1 1 63 63 LEU HA H 370 4.356 4.356 4.696 -0.340 18296 1576 1 4 . 1 1 63 63 LEU C C 370 176.026 176.026 176.807 -0.781 18296 1577 1 4 . 1 1 63 63 LEU CA C 370 55.223 55.223 56.587 -1.364 18296 1578 1 4 . 1 1 63 63 LEU CB C 370 42.061 42.061 43.774 -1.713 18296 1579 1 4 . 1 1 63 63 LEU H H 370 8.419 8.419 8.343 0.076 18296 1580 1 4 . 1 1 64 64 THR N N 371 114.722 114.722 109.992 4.730 18296 1581 1 4 . 1 1 64 64 THR HA H 371 4.306 4.306 4.371 -0.065 18296 1582 1 4 . 1 1 64 64 THR C C 371 178.158 178.158 173.904 4.254 18296 1583 1 4 . 1 1 64 64 THR CA C 371 61.196 61.196 62.672 -1.476 18296 1584 1 4 . 1 1 64 64 THR CB C 371 70.416 70.416 69.362 1.054 18296 1585 1 4 . 1 1 64 64 THR H H 371 7.966 7.966 7.697 0.269 18296 1586 1 4 . 1 1 65 65 GLY N N 372 111.711 111.711 108.201 3.510 18296 1587 1 4 . 1 1 65 65 GLY C C 372 178.512 178.512 174.094 4.418 18296 1588 1 4 . 1 1 65 65 GLY CA C 372 46.227 46.227 45.181 1.046 18296 1589 1 4 . 1 1 65 65 GLY H H 372 8.565 8.565 8.506 0.059 18296 1590 1 4 . 1 1 66 66 GLY N N 373 108.771 108.771 107.584 1.187 18296 1591 1 4 . 1 1 66 66 GLY C C 373 178.999 178.999 174.934 4.065 18296 1592 1 4 . 1 1 66 66 GLY CA C 373 45.287 45.287 45.493 -0.206 18296 1593 1 4 . 1 1 66 66 GLY H H 373 8.227 8.227 9.083 -0.856 18296 1594 1 4 . 1 1 67 67 GLY N N 374 108.901 108.901 110.872 -1.971 18296 1595 1 4 . 1 1 67 67 GLY C C 374 179.721 179.721 173.824 5.897 18296 1596 1 4 . 1 1 67 67 GLY CA C 374 44.987 44.987 45.367 -0.380 18296 1597 1 4 . 1 1 67 67 GLY H H 374 7.876 7.876 8.278 -0.402 18296 1598 1 4 . 1 1 68 68 THR N N 375 114.505 114.505 112.088 2.417 18296 1599 1 4 . 1 1 68 68 THR HA H 375 4.450 4.450 4.086 0.364 18296 1600 1 4 . 1 1 68 68 THR C C 375 178.997 178.997 173.263 5.734 18296 1601 1 4 . 1 1 68 68 THR CA C 375 61.900 61.900 62.497 -0.597 18296 1602 1 4 . 1 1 68 68 THR CB C 375 70.047 70.047 68.586 1.461 18296 1603 1 4 . 1 1 68 68 THR H H 375 8.112 8.112 7.857 0.255 18296 1604 1 4 . 1 1 69 69 THR N N 376 118.054 118.054 115.776 2.278 18296 1605 1 4 . 1 1 69 69 THR HA H 376 4.302 4.302 4.453 -0.151 18296 1606 1 4 . 1 1 69 69 THR C C 376 180.403 180.403 172.389 8.014 18296 1607 1 4 . 1 1 69 69 THR CA C 376 61.114 61.114 59.756 1.358 18296 1608 1 4 . 1 1 69 69 THR CB C 376 70.422 70.422 70.029 0.393 18296 1609 1 4 . 1 1 69 69 THR H H 376 8.259 8.259 7.711 0.548 18296 1610 1 4 . 1 1 70 70 PHE N N 377 122.009 122.009 120.666 1.343 18296 1611 1 4 . 1 1 70 70 PHE HA H 377 4.910 4.910 4.800 0.110 18296 1612 1 4 . 1 1 70 70 PHE C C 377 177.972 177.972 174.241 3.731 18296 1613 1 4 . 1 1 70 70 PHE CA C 377 57.227 57.227 57.194 0.033 18296 1614 1 4 . 1 1 70 70 PHE CB C 377 40.873 40.873 40.829 0.044 18296 1615 1 4 . 1 1 70 70 PHE H H 377 8.351 8.351 8.452 -0.101 18296 1616 1 4 . 1 1 71 71 SER N N 378 117.853 117.853 121.959 -4.106 18296 1617 1 4 . 1 1 71 71 SER HA H 378 4.493 4.493 4.781 -0.288 18296 1618 1 4 . 1 1 71 71 SER C C 378 180.063 180.063 172.048 8.015 18296 1619 1 4 . 1 1 71 71 SER CA C 378 57.276 57.276 56.966 0.310 18296 1620 1 4 . 1 1 71 71 SER CB C 378 64.612 64.612 66.153 -1.541 18296 1621 1 4 . 1 1 71 71 SER H H 378 8.519 8.519 8.164 0.355 18296 1622 1 4 . 1 1 72 72 VAL N N 379 120.162 120.162 119.443 0.719 18296 1623 1 4 . 1 1 72 72 VAL HA H 379 4.441 4.441 4.053 0.388 18296 1624 1 4 . 1 1 72 72 VAL C C 379 178.192 178.192 174.094 4.098 18296 1625 1 4 . 1 1 72 72 VAL CA C 379 61.369 61.369 61.652 -0.283 18296 1626 1 4 . 1 1 72 72 VAL CB C 379 33.944 33.944 35.197 -1.253 18296 1627 1 4 . 1 1 72 72 VAL H H 379 8.277 8.277 8.212 0.065 18296 1628 1 4 . 1 1 73 73 ARG N N 380 126.538 126.538 126.231 0.307 18296 1629 1 4 . 1 1 73 73 ARG HA H 380 4.430 4.430 4.646 -0.216 18296 1630 1 4 . 1 1 73 73 ARG C C 380 177.524 177.524 174.394 3.130 18296 1631 1 4 . 1 1 73 73 ARG CA C 380 54.744 54.744 54.886 -0.142 18296 1632 1 4 . 1 1 73 73 ARG CB C 380 32.635 32.635 32.031 0.604 18296 1633 1 4 . 1 1 73 73 ARG H H 380 8.727 8.727 8.269 0.458 18296 1634 1 4 . 1 1 74 74 LYS N N 381 126.485 126.485 127.073 -0.588 18296 1635 1 4 . 1 1 74 74 LYS HA H 381 4.613 4.613 5.163 -0.550 18296 1636 1 4 . 1 1 74 74 LYS C C 381 178.050 178.050 175.592 2.458 18296 1637 1 4 . 1 1 74 74 LYS CA C 381 56.325 56.325 55.004 1.321 18296 1638 1 4 . 1 1 74 74 LYS CB C 381 33.149 33.149 35.765 -2.616 18296 1639 1 4 . 1 1 74 74 LYS H H 381 8.636 8.636 8.658 -0.022 18296 1640 1 4 . 1 1 75 75 THR N N 382 120.767 120.767 118.706 2.061 18296 1641 1 4 . 1 1 75 75 THR HA H 382 3.791 3.791 4.465 -0.674 18296 1642 1 4 . 1 1 75 75 THR C C 382 181.578 181.578 171.854 9.724 18296 1643 1 4 . 1 1 75 75 THR CA C 382 61.703 61.703 60.900 0.803 18296 1644 1 4 . 1 1 75 75 THR CB C 382 70.771 70.771 71.405 -0.634 18296 1645 1 4 . 1 1 75 75 THR H H 382 8.544 8.544 8.881 -0.337 18296 1646 1 4 . 1 1 76 76 ALA N N 383 126.390 126.390 123.685 2.705 18296 1647 1 4 . 1 1 76 76 ALA HA H 383 5.358 5.358 5.062 0.296 18296 1648 1 4 . 1 1 76 76 ALA C C 383 178.931 178.931 174.929 4.002 18296 1649 1 4 . 1 1 76 76 ALA CA C 383 50.669 50.669 51.144 -0.475 18296 1650 1 4 . 1 1 76 76 ALA CB C 383 24.682 24.682 22.491 2.191 18296 1651 1 4 . 1 1 76 76 ALA H H 383 7.981 7.981 8.050 -0.069 18296 1652 1 4 . 1 1 77 77 TYR N N 384 116.182 116.182 117.429 -1.247 18296 1653 1 4 . 1 1 77 77 TYR HA H 384 5.920 5.920 5.038 0.882 18296 1654 1 4 . 1 1 77 77 TYR C C 384 177.384 177.384 175.766 1.618 18296 1655 1 4 . 1 1 77 77 TYR CA C 384 56.234 56.234 56.931 -0.697 18296 1656 1 4 . 1 1 77 77 TYR CB C 384 43.201 43.201 42.518 0.683 18296 1657 1 4 . 1 1 77 77 TYR H H 384 7.899 7.899 8.013 -0.114 18296 1658 1 4 . 1 1 78 78 CYS N N 385 121.146 121.146 117.940 3.206 18296 1659 1 4 . 1 1 78 78 CYS HA H 385 4.312 4.312 4.230 0.082 18296 1660 1 4 . 1 1 78 78 CYS C C 385 178.543 178.543 176.008 2.535 18296 1661 1 4 . 1 1 78 78 CYS CA C 385 58.293 58.293 57.962 0.331 18296 1662 1 4 . 1 1 78 78 CYS CB C 385 29.815 29.815 29.664 0.151 18296 1663 1 4 . 1 1 78 78 CYS H H 385 9.855 9.855 8.669 1.186 18296 1664 1 4 . 1 1 79 79 ASP N N 386 115.334 115.334 121.191 -5.857 18296 1665 1 4 . 1 1 79 79 ASP HA H 386 3.946 3.946 4.579 -0.633 18296 1666 1 4 . 1 1 79 79 ASP C C 386 175.510 175.510 176.977 -1.467 18296 1667 1 4 . 1 1 79 79 ASP CA C 386 57.118 57.118 55.953 1.165 18296 1668 1 4 . 1 1 79 79 ASP CB C 386 40.495 40.495 41.236 -0.741 18296 1669 1 4 . 1 1 79 79 ASP H H 386 7.657 7.657 8.259 -0.602 18296 1670 1 4 . 1 1 80 80 VAL N N 387 119.872 119.872 111.959 7.913 18296 1671 1 4 . 1 1 80 80 VAL HA H 387 3.579 3.579 4.243 -0.664 18296 1672 1 4 . 1 1 80 80 VAL C C 387 176.437 176.437 175.704 0.733 18296 1673 1 4 . 1 1 80 80 VAL CA C 387 64.272 64.272 62.563 1.709 18296 1674 1 4 . 1 1 80 80 VAL CB C 387 31.798 31.798 31.093 0.705 18296 1675 1 4 . 1 1 80 80 VAL H H 387 7.601 7.601 7.432 0.169 18296 1676 1 4 . 1 1 81 81 HIS N N 388 119.244 119.244 118.673 0.571 18296 1677 1 4 . 1 1 81 81 HIS HA H 388 4.632 4.632 4.508 0.124 18296 1678 1 4 . 1 1 81 81 HIS C C 388 180.644 180.644 176.394 4.250 18296 1679 1 4 . 1 1 81 81 HIS CA C 388 56.212 56.212 58.827 -2.615 18296 1680 1 4 . 1 1 81 81 HIS CB C 388 31.774 31.774 31.966 -0.192 18296 1681 1 4 . 1 1 81 81 HIS H H 388 7.385 7.385 7.607 -0.222 18296 1682 1 4 . 1 1 82 82 THR N N 389 117.899 117.899 114.923 2.976 18296 1683 1 4 . 1 1 82 82 THR HA H 389 3.733 3.733 4.442 -0.709 18296 1684 1 4 . 1 1 82 82 THR C C 389 181.155 181.155 173.788 7.367 18296 1685 1 4 . 1 1 82 82 THR CA C 389 61.844 61.844 64.487 -2.643 18296 1686 1 4 . 1 1 82 82 THR CB C 389 70.285 70.285 68.316 1.969 18296 1687 1 4 . 1 1 82 82 THR H H 389 7.133 7.133 8.224 -1.091 18296 1688 1 4 . 1 1 83 83 PRO HA H 390 4.192 4.192 4.404 -0.212 18296 1689 1 4 . 1 1 83 83 PRO CA C 390 61.509 61.509 63.904 -2.395 18296 1690 1 4 . 1 1 83 83 PRO CB C 390 30.773 30.773 30.491 0.282 18296 1691 1 4 . 1 1 84 84 PRO HA H 391 4.220 4.220 4.413 -0.193 18296 1692 1 4 . 1 1 84 84 PRO C C 391 175.949 175.949 176.402 -0.453 18296 1693 1 4 . 1 1 84 84 PRO CA C 391 63.032 63.032 62.852 0.180 18296 1694 1 4 . 1 1 84 84 PRO CB C 391 31.983 31.983 31.985 -0.003 18296 1695 1 4 . 1 1 85 85 GLY N N 392 109.626 109.626 109.927 -0.301 18296 1696 1 4 . 1 1 85 85 GLY C C 392 179.223 179.223 173.937 5.286 18296 1697 1 4 . 1 1 85 85 GLY CA C 392 45.359 45.359 44.986 0.373 18296 1698 1 4 . 1 1 85 85 GLY H H 392 8.367 8.367 8.184 0.183 18296 1699 1 4 . 1 1 86 86 SER N N 393 115.675 115.675 118.357 -2.682 18296 1700 1 4 . 1 1 86 86 SER HA H 393 4.354 4.354 4.477 -0.123 18296 1701 1 4 . 1 1 86 86 SER C C 393 179.569 179.569 174.618 4.951 18296 1702 1 4 . 1 1 86 86 SER CA C 393 58.521 58.521 59.537 -1.016 18296 1703 1 4 . 1 1 86 86 SER CB C 393 63.913 63.913 63.573 0.340 18296 1704 1 4 . 1 1 86 86 SER H H 393 8.022 8.022 8.425 -0.403 18296 1705 1 5 . 1 1 10 10 ASN N N 317 120.101 120.101 121.611 -1.510 18296 1706 1 5 . 1 1 10 10 ASN HA H 317 4.501 4.501 4.906 -0.405 18296 1707 1 5 . 1 1 10 10 ASN C C 317 179.015 179.015 174.367 4.648 18296 1708 1 5 . 1 1 10 10 ASN CA C 317 53.191 53.191 53.329 -0.138 18296 1709 1 5 . 1 1 10 10 ASN CB C 317 38.650 38.650 39.294 -0.644 18296 1710 1 5 . 1 1 10 10 ASN H H 317 8.415 8.415 8.455 -0.040 18296 1711 1 5 . 1 1 11 11 ILE N N 318 122.869 122.869 120.517 2.352 18296 1712 1 5 . 1 1 11 11 ILE HA H 318 4.250 4.250 4.000 0.250 18296 1713 1 5 . 1 1 11 11 ILE C C 318 179.506 179.506 173.616 5.890 18296 1714 1 5 . 1 1 11 11 ILE CA C 318 58.332 58.332 61.161 -2.829 18296 1715 1 5 . 1 1 11 11 ILE CB C 318 38.713 38.713 36.546 2.167 18296 1716 1 5 . 1 1 11 11 ILE H H 318 7.924 7.924 7.825 0.099 18296 1717 1 5 . 1 1 12 12 PRO HA H 319 4.359 4.359 4.780 -0.421 18296 1718 1 5 . 1 1 12 12 PRO CA C 319 61.487 61.487 61.296 0.191 18296 1719 1 5 . 1 1 12 12 PRO CB C 319 30.960 30.960 31.648 -0.689 18296 1720 1 5 . 1 1 13 13 PRO HA H 320 3.968 3.968 4.387 -0.419 18296 1721 1 5 . 1 1 13 13 PRO C C 320 176.730 176.730 175.681 1.049 18296 1722 1 5 . 1 1 13 13 PRO CA C 320 62.874 62.874 62.791 0.083 18296 1723 1 5 . 1 1 13 13 PRO CB C 320 31.948 31.948 31.417 0.531 18296 1724 1 5 . 1 1 14 14 ALA N N 321 123.469 123.469 127.719 -4.250 18296 1725 1 5 . 1 1 14 14 ALA HA H 321 3.952 3.952 4.140 -0.188 18296 1726 1 5 . 1 1 14 14 ALA C C 321 175.208 175.208 176.698 -1.490 18296 1727 1 5 . 1 1 14 14 ALA CA C 321 52.876 52.876 52.290 0.586 18296 1728 1 5 . 1 1 14 14 ALA CB C 321 18.896 18.896 19.379 -0.483 18296 1729 1 5 . 1 1 14 14 ALA H H 321 8.108 8.108 8.206 -0.098 18296 1730 1 5 . 1 1 15 15 ARG N N 322 118.725 118.725 121.903 -3.178 18296 1731 1 5 . 1 1 15 15 ARG HA H 322 3.943 3.943 4.405 -0.462 18296 1732 1 5 . 1 1 15 15 ARG C C 322 176.870 176.870 175.636 1.234 18296 1733 1 5 . 1 1 15 15 ARG CA C 322 56.737 56.737 54.311 2.426 18296 1734 1 5 . 1 1 15 15 ARG CB C 322 30.230 30.230 28.448 1.782 18296 1735 1 5 . 1 1 15 15 ARG H H 322 8.077 8.077 8.605 -0.528 18296 1736 1 5 . 1 1 16 16 TRP N N 323 120.113 120.113 122.863 -2.750 18296 1737 1 5 . 1 1 16 16 TRP HA H 323 4.471 4.471 4.776 -0.305 18296 1738 1 5 . 1 1 16 16 TRP C C 323 177.322 177.322 175.528 1.794 18296 1739 1 5 . 1 1 16 16 TRP CA C 323 57.143 57.143 52.810 4.333 18296 1740 1 5 . 1 1 16 16 TRP CB C 323 29.192 29.192 26.835 2.357 18296 1741 1 5 . 1 1 16 16 TRP H H 323 7.634 7.634 8.015 -0.381 18296 1742 1 5 . 1 1 17 17 LYS N N 324 121.400 121.400 123.676 -2.276 18296 1743 1 5 . 1 1 17 17 LYS HA H 324 3.951 3.951 4.459 -0.508 18296 1744 1 5 . 1 1 17 17 LYS C C 324 179.457 179.457 176.064 3.393 18296 1745 1 5 . 1 1 17 17 LYS CA C 324 56.502 56.502 56.111 0.391 18296 1746 1 5 . 1 1 17 17 LYS CB C 324 32.867 32.867 31.979 0.888 18296 1747 1 5 . 1 1 17 17 LYS H H 324 7.735 7.735 8.006 -0.271 18296 1748 1 5 . 1 1 18 18 LEU N N 325 121.064 121.064 127.184 -6.120 18296 1749 1 5 . 1 1 18 18 LEU HA H 325 4.141 4.141 4.700 -0.559 18296 1750 1 5 . 1 1 18 18 LEU C C 325 176.781 176.781 175.941 0.840 18296 1751 1 5 . 1 1 18 18 LEU CA C 325 54.574 54.574 53.923 0.651 18296 1752 1 5 . 1 1 18 18 LEU CB C 325 42.252 42.252 41.997 0.255 18296 1753 1 5 . 1 1 18 18 LEU H H 325 7.708 7.708 8.160 -0.452 18296 1754 1 5 . 1 1 19 19 THR N N 326 117.252 117.252 118.345 -1.093 18296 1755 1 5 . 1 1 19 19 THR HA H 326 3.935 3.935 4.396 -0.461 18296 1756 1 5 . 1 1 19 19 THR C C 326 180.854 180.854 173.110 7.744 18296 1757 1 5 . 1 1 19 19 THR CA C 326 61.977 61.977 61.376 0.601 18296 1758 1 5 . 1 1 19 19 THR CB C 326 70.166 70.166 70.267 -0.101 18296 1759 1 5 . 1 1 19 19 THR H H 326 7.915 7.915 8.044 -0.129 18296 1760 1 5 . 1 1 20 20 CYS N N 327 127.254 127.254 123.716 3.538 18296 1761 1 5 . 1 1 20 20 CYS HA H 327 4.324 4.324 5.051 -0.727 18296 1762 1 5 . 1 1 20 20 CYS C C 327 175.898 175.898 176.907 -1.009 18296 1763 1 5 . 1 1 20 20 CYS CA C 327 57.928 57.928 56.905 1.023 18296 1764 1 5 . 1 1 20 20 CYS CB C 327 31.298 31.298 27.944 3.354 18296 1765 1 5 . 1 1 20 20 CYS H H 327 8.055 8.055 8.515 -0.460 18296 1766 1 5 . 1 1 21 21 TYR N N 328 129.752 129.752 126.502 3.250 18296 1767 1 5 . 1 1 21 21 TYR HA H 328 4.488 4.488 4.453 0.035 18296 1768 1 5 . 1 1 21 21 TYR C C 328 178.625 178.625 176.370 2.255 18296 1769 1 5 . 1 1 21 21 TYR CA C 328 58.951 58.951 59.700 -0.749 18296 1770 1 5 . 1 1 21 21 TYR CB C 328 37.712 37.712 37.871 -0.159 18296 1771 1 5 . 1 1 21 21 TYR H H 328 9.082 9.082 8.486 0.596 18296 1772 1 5 . 1 1 22 22 LEU N N 329 124.057 124.057 118.947 5.110 18296 1773 1 5 . 1 1 22 22 LEU HA H 329 3.749 3.749 4.407 -0.658 18296 1774 1 5 . 1 1 22 22 LEU C C 329 176.268 176.268 176.910 -0.642 18296 1775 1 5 . 1 1 22 22 LEU CA C 329 56.514 56.514 54.699 1.815 18296 1776 1 5 . 1 1 22 22 LEU CB C 329 42.975 42.975 42.197 0.778 18296 1777 1 5 . 1 1 22 22 LEU H H 329 8.140 8.140 7.638 0.502 18296 1778 1 5 . 1 1 23 23 CYS N N 330 117.734 117.734 116.903 0.831 18296 1779 1 5 . 1 1 23 23 CYS HA H 330 4.741 4.741 4.825 -0.084 18296 1780 1 5 . 1 1 23 23 CYS C C 330 177.769 177.769 172.921 4.848 18296 1781 1 5 . 1 1 23 23 CYS CA C 330 58.459 58.459 57.494 0.965 18296 1782 1 5 . 1 1 23 23 CYS CB C 330 30.918 30.918 31.449 -0.531 18296 1783 1 5 . 1 1 23 23 CYS H H 330 7.971 7.971 7.281 0.690 18296 1784 1 5 . 1 1 24 24 LYS N N 331 118.437 118.437 120.257 -1.820 18296 1785 1 5 . 1 1 24 24 LYS HA H 331 3.980 3.980 4.444 -0.464 18296 1786 1 5 . 1 1 24 24 LYS C C 331 178.178 178.178 175.289 2.889 18296 1787 1 5 . 1 1 24 24 LYS CA C 331 57.520 57.520 56.586 0.934 18296 1788 1 5 . 1 1 24 24 LYS CB C 331 29.278 29.278 32.569 -3.292 18296 1789 1 5 . 1 1 24 24 LYS H H 331 7.842 7.842 8.393 -0.551 18296 1790 1 5 . 1 1 25 25 GLN N N 332 118.445 118.445 120.298 -1.853 18296 1791 1 5 . 1 1 25 25 GLN HA H 332 4.574 4.574 4.529 0.045 18296 1792 1 5 . 1 1 25 25 GLN C C 332 177.619 177.619 174.985 2.634 18296 1793 1 5 . 1 1 25 25 GLN CA C 332 54.362 54.362 54.731 -0.369 18296 1794 1 5 . 1 1 25 25 GLN CB C 332 31.843 31.843 29.838 2.005 18296 1795 1 5 . 1 1 25 25 GLN H H 332 8.306 8.306 8.022 0.284 18296 1796 1 5 . 1 1 26 26 LYS N N 333 122.851 122.851 124.334 -1.483 18296 1797 1 5 . 1 1 26 26 LYS HA H 333 4.222 4.222 4.140 0.082 18296 1798 1 5 . 1 1 26 26 LYS C C 333 175.456 175.456 176.959 -1.503 18296 1799 1 5 . 1 1 26 26 LYS CA C 333 57.729 57.729 56.923 0.806 18296 1800 1 5 . 1 1 26 26 LYS CB C 333 32.925 32.925 32.287 0.638 18296 1801 1 5 . 1 1 26 26 LYS H H 333 8.545 8.545 8.380 0.165 18296 1802 1 5 . 1 1 27 27 GLY N N 334 107.216 107.216 113.136 -5.920 18296 1803 1 5 . 1 1 27 27 GLY C C 334 180.017 180.017 173.656 6.361 18296 1804 1 5 . 1 1 27 27 GLY CA C 334 45.559 45.559 44.986 0.573 18296 1805 1 5 . 1 1 27 27 GLY H H 334 8.348 8.348 8.457 -0.109 18296 1806 1 5 . 1 1 28 28 VAL N N 335 117.437 117.437 123.082 -5.645 18296 1807 1 5 . 1 1 28 28 VAL HA H 335 4.133 4.133 4.223 -0.090 18296 1808 1 5 . 1 1 28 28 VAL C C 335 177.439 177.439 176.706 0.733 18296 1809 1 5 . 1 1 28 28 VAL CA C 335 61.502 61.502 63.027 -1.525 18296 1810 1 5 . 1 1 28 28 VAL CB C 335 33.563 33.563 32.532 1.031 18296 1811 1 5 . 1 1 28 28 VAL H H 335 7.867 7.867 8.152 -0.285 18296 1812 1 5 . 1 1 29 29 GLY N N 336 110.723 110.723 109.743 0.980 18296 1813 1 5 . 1 1 29 29 GLY C C 336 180.088 180.088 173.617 6.471 18296 1814 1 5 . 1 1 29 29 GLY CA C 336 44.344 44.344 45.909 -1.565 18296 1815 1 5 . 1 1 29 29 GLY H H 336 8.186 8.186 8.636 -0.450 18296 1816 1 5 . 1 1 30 30 ALA N N 337 122.643 122.643 125.506 -2.863 18296 1817 1 5 . 1 1 30 30 ALA HA H 337 4.193 4.193 4.723 -0.530 18296 1818 1 5 . 1 1 30 30 ALA C C 337 175.274 175.274 176.047 -0.773 18296 1819 1 5 . 1 1 30 30 ALA CA C 337 52.904 52.904 51.354 1.550 18296 1820 1 5 . 1 1 30 30 ALA CB C 337 19.677 19.677 20.211 -0.534 18296 1821 1 5 . 1 1 30 30 ALA H H 337 8.269 8.269 7.997 0.272 18296 1822 1 5 . 1 1 31 31 SER N N 338 117.644 117.644 119.299 -1.655 18296 1823 1 5 . 1 1 31 31 SER HA H 338 4.775 4.775 4.740 0.035 18296 1824 1 5 . 1 1 31 31 SER C C 338 180.923 180.923 173.278 7.645 18296 1825 1 5 . 1 1 31 31 SER CA C 338 57.406 57.406 57.223 0.183 18296 1826 1 5 . 1 1 31 31 SER CB C 338 65.388 65.388 64.480 0.908 18296 1827 1 5 . 1 1 31 31 SER H H 338 8.415 8.415 8.454 -0.039 18296 1828 1 5 . 1 1 32 32 ILE N N 339 121.240 121.240 124.630 -3.390 18296 1829 1 5 . 1 1 32 32 ILE HA H 339 4.123 4.123 4.183 -0.060 18296 1830 1 5 . 1 1 32 32 ILE C C 339 181.302 181.302 173.600 7.702 18296 1831 1 5 . 1 1 32 32 ILE CA C 339 59.768 59.768 59.664 0.104 18296 1832 1 5 . 1 1 32 32 ILE CB C 339 41.252 41.252 40.556 0.696 18296 1833 1 5 . 1 1 32 32 ILE H H 339 8.522 8.522 8.672 -0.150 18296 1834 1 5 . 1 1 33 33 GLN N N 340 120.384 120.384 126.256 -5.872 18296 1835 1 5 . 1 1 33 33 GLN HA H 340 4.335 4.335 4.989 -0.654 18296 1836 1 5 . 1 1 33 33 GLN C C 340 179.377 179.377 175.033 4.344 18296 1837 1 5 . 1 1 33 33 GLN CA C 340 53.739 53.739 54.075 -0.336 18296 1838 1 5 . 1 1 33 33 GLN CB C 340 32.179 32.179 31.415 0.764 18296 1839 1 5 . 1 1 33 33 GLN H H 340 7.720 7.720 8.122 -0.402 18296 1840 1 5 . 1 1 34 34 CYS N N 341 125.463 125.463 127.516 -2.053 18296 1841 1 5 . 1 1 34 34 CYS HA H 341 4.036 4.036 4.590 -0.554 18296 1842 1 5 . 1 1 34 34 CYS C C 341 178.269 178.269 176.147 2.122 18296 1843 1 5 . 1 1 34 34 CYS CA C 341 60.992 60.992 59.346 1.646 18296 1844 1 5 . 1 1 34 34 CYS CB C 341 32.346 32.346 27.716 4.630 18296 1845 1 5 . 1 1 34 34 CYS H H 341 8.292 8.292 8.697 -0.405 18296 1846 1 5 . 1 1 35 35 HIS N N 342 126.611 126.611 127.512 -0.901 18296 1847 1 5 . 1 1 35 35 HIS HA H 342 4.128 4.128 4.386 -0.258 18296 1848 1 5 . 1 1 35 35 HIS CA C 342 57.556 57.556 57.938 -0.382 18296 1849 1 5 . 1 1 35 35 HIS CB C 342 29.945 29.945 31.395 -1.450 18296 1850 1 5 . 1 1 35 35 HIS H H 342 8.722 8.722 8.368 0.354 18296 1851 1 5 . 1 1 36 36 LYS N N 343 124.049 124.049 117.448 6.601 18296 1852 1 5 . 1 1 36 36 LYS HA H 343 3.940 3.940 3.956 -0.016 18296 1853 1 5 . 1 1 36 36 LYS C C 343 176.701 176.701 176.408 0.293 18296 1854 1 5 . 1 1 36 36 LYS CA C 343 56.155 56.155 56.191 -0.036 18296 1855 1 5 . 1 1 36 36 LYS CB C 343 33.033 33.033 32.455 0.579 18296 1856 1 5 . 1 1 36 36 LYS H H 343 8.567 8.567 8.117 0.450 18296 1857 1 5 . 1 1 37 37 ALA N N 344 130.751 130.751 128.488 2.263 18296 1858 1 5 . 1 1 37 37 ALA HA H 344 3.733 3.733 3.129 0.604 18296 1859 1 5 . 1 1 37 37 ALA C C 344 175.302 175.302 177.725 -2.423 18296 1860 1 5 . 1 1 37 37 ALA CA C 344 53.917 53.917 53.803 0.114 18296 1861 1 5 . 1 1 37 37 ALA CB C 344 18.206 18.206 18.377 -0.171 18296 1862 1 5 . 1 1 37 37 ALA H H 344 8.363 8.363 8.471 -0.108 18296 1863 1 5 . 1 1 38 38 ASN N N 345 114.094 114.094 116.055 -1.961 18296 1864 1 5 . 1 1 38 38 ASN HA H 345 3.885 3.885 4.614 -0.729 18296 1865 1 5 . 1 1 38 38 ASN C C 345 181.195 181.195 176.449 4.746 18296 1866 1 5 . 1 1 38 38 ASN CA C 345 53.606 53.606 54.931 -1.325 18296 1867 1 5 . 1 1 38 38 ASN CB C 345 37.443 37.443 38.681 -1.238 18296 1868 1 5 . 1 1 38 38 ASN H H 345 8.292 8.292 8.499 -0.207 18296 1869 1 5 . 1 1 39 39 CYS N N 346 121.417 121.417 118.452 2.965 18296 1870 1 5 . 1 1 39 39 CYS C C 346 178.723 178.723 175.765 2.958 18296 1871 1 5 . 1 1 39 39 CYS H H 346 7.283 7.283 7.739 -0.456 18296 1872 1 5 . 1 1 40 40 TYR HA H 347 4.212 4.212 4.281 -0.069 18296 1873 1 5 . 1 1 40 40 TYR C C 347 178.156 178.156 174.378 3.778 18296 1874 1 5 . 1 1 40 40 TYR CA C 347 56.478 56.478 59.019 -2.541 18296 1875 1 5 . 1 1 40 40 TYR CB C 347 37.446 37.446 35.845 1.601 18296 1876 1 5 . 1 1 40 40 TYR H H 347 7.923 7.923 8.211 -0.288 18296 1877 1 5 . 1 1 41 41 THR N N 348 122.674 122.674 116.320 6.354 18296 1878 1 5 . 1 1 41 41 THR HA H 348 3.806 3.806 4.744 -0.938 18296 1879 1 5 . 1 1 41 41 THR C C 348 182.343 182.343 173.527 8.816 18296 1880 1 5 . 1 1 41 41 THR CA C 348 64.932 64.932 61.807 3.125 18296 1881 1 5 . 1 1 41 41 THR CB C 348 68.772 68.772 71.104 -2.332 18296 1882 1 5 . 1 1 41 41 THR H H 348 8.421 8.421 7.816 0.605 18296 1883 1 5 . 1 1 42 42 ALA N N 349 130.177 130.177 127.528 2.649 18296 1884 1 5 . 1 1 42 42 ALA HA H 349 4.967 4.967 5.356 -0.389 18296 1885 1 5 . 1 1 42 42 ALA C C 349 176.955 176.955 175.938 1.017 18296 1886 1 5 . 1 1 42 42 ALA CA C 349 49.997 49.997 50.758 -0.761 18296 1887 1 5 . 1 1 42 42 ALA CB C 349 23.467 23.467 21.629 1.838 18296 1888 1 5 . 1 1 42 42 ALA H H 349 8.856 8.856 8.778 0.078 18296 1889 1 5 . 1 1 43 43 PHE N N 350 113.053 113.053 119.016 -5.963 18296 1890 1 5 . 1 1 43 43 PHE HA H 350 5.525 5.525 4.697 0.828 18296 1891 1 5 . 1 1 43 43 PHE C C 350 177.894 177.894 173.455 4.439 18296 1892 1 5 . 1 1 43 43 PHE CA C 350 53.625 53.625 56.310 -2.685 18296 1893 1 5 . 1 1 43 43 PHE CB C 350 39.459 39.459 40.880 -1.421 18296 1894 1 5 . 1 1 43 43 PHE H H 350 7.912 7.912 8.793 -0.881 18296 1895 1 5 . 1 1 44 44 HIS N N 351 118.497 118.497 119.142 -0.645 18296 1896 1 5 . 1 1 44 44 HIS HA H 351 4.892 4.892 4.802 0.090 18296 1897 1 5 . 1 1 44 44 HIS C C 351 176.371 176.371 177.192 -0.821 18296 1898 1 5 . 1 1 44 44 HIS CA C 351 58.019 58.019 56.799 1.220 18296 1899 1 5 . 1 1 44 44 HIS CB C 351 31.716 31.716 30.215 1.501 18296 1900 1 5 . 1 1 44 44 HIS H H 351 9.335 9.335 8.332 1.003 18296 1901 1 5 . 1 1 45 45 VAL N N 352 124.407 124.407 121.583 2.824 18296 1902 1 5 . 1 1 45 45 VAL HA H 352 3.476 3.476 3.762 -0.286 18296 1903 1 5 . 1 1 45 45 VAL C C 352 175.305 175.305 177.830 -2.525 18296 1904 1 5 . 1 1 45 45 VAL CA C 352 67.359 67.359 66.811 0.548 18296 1905 1 5 . 1 1 45 45 VAL CB C 352 31.627 31.627 31.562 0.065 18296 1906 1 5 . 1 1 45 45 VAL H H 352 8.654 8.654 8.006 0.648 18296 1907 1 5 . 1 1 46 46 THR N N 353 111.166 111.166 115.186 -4.020 18296 1908 1 5 . 1 1 46 46 THR HA H 353 3.997 3.997 4.096 -0.099 18296 1909 1 5 . 1 1 46 46 THR C C 353 175.010 175.010 176.285 -1.275 18296 1910 1 5 . 1 1 46 46 THR CA C 353 65.008 65.008 65.722 -0.714 18296 1911 1 5 . 1 1 46 46 THR CB C 353 67.830 67.830 68.553 -0.723 18296 1912 1 5 . 1 1 46 46 THR H H 353 8.370 8.370 8.368 0.002 18296 1913 1 5 . 1 1 47 47 CYS N N 354 120.975 120.975 119.304 1.671 18296 1914 1 5 . 1 1 47 47 CYS HA H 354 3.762 3.762 4.332 -0.570 18296 1915 1 5 . 1 1 47 47 CYS C C 354 175.912 175.912 176.998 -1.086 18296 1916 1 5 . 1 1 47 47 CYS CA C 354 63.372 63.372 62.464 0.908 18296 1917 1 5 . 1 1 47 47 CYS CB C 354 29.076 29.076 25.784 3.292 18296 1918 1 5 . 1 1 47 47 CYS H H 354 6.668 6.668 8.466 -1.798 18296 1919 1 5 . 1 1 48 48 ALA N N 355 123.247 123.247 122.885 0.362 18296 1920 1 5 . 1 1 48 48 ALA HA H 355 3.511 3.511 4.113 -0.602 18296 1921 1 5 . 1 1 48 48 ALA C C 355 174.031 174.031 179.511 -5.480 18296 1922 1 5 . 1 1 48 48 ALA CA C 355 55.045 55.045 55.001 0.044 18296 1923 1 5 . 1 1 48 48 ALA CB C 355 19.962 19.962 18.878 1.084 18296 1924 1 5 . 1 1 48 48 ALA H H 355 8.481 8.481 7.905 0.576 18296 1925 1 5 . 1 1 49 49 GLN N N 356 118.150 118.150 117.503 0.647 18296 1926 1 5 . 1 1 49 49 GLN HA H 356 4.003 4.003 4.007 -0.004 18296 1927 1 5 . 1 1 49 49 GLN C C 356 173.755 173.755 178.664 -4.909 18296 1928 1 5 . 1 1 49 49 GLN CA C 356 58.728 58.728 58.685 0.043 18296 1929 1 5 . 1 1 49 49 GLN CB C 356 28.196 28.196 28.794 -0.598 18296 1930 1 5 . 1 1 49 49 GLN H H 356 8.055 8.055 8.128 -0.073 18296 1931 1 5 . 1 1 50 50 LYS N N 357 120.248 120.248 118.021 2.227 18296 1932 1 5 . 1 1 50 50 LYS HA H 357 3.866 3.866 4.246 -0.380 18296 1933 1 5 . 1 1 50 50 LYS C C 357 175.624 175.624 178.168 -2.544 18296 1934 1 5 . 1 1 50 50 LYS CA C 357 58.989 58.989 57.303 1.686 18296 1935 1 5 . 1 1 50 50 LYS CB C 357 32.377 32.377 32.395 -0.018 18296 1936 1 5 . 1 1 50 50 LYS H H 357 7.628 7.628 7.979 -0.351 18296 1937 1 5 . 1 1 51 51 ALA N N 358 118.343 118.343 119.609 -1.266 18296 1938 1 5 . 1 1 51 51 ALA HA H 358 4.138 4.138 4.278 -0.140 18296 1939 1 5 . 1 1 51 51 ALA C C 358 176.132 176.132 178.638 -2.506 18296 1940 1 5 . 1 1 51 51 ALA CA C 358 52.263 52.263 53.123 -0.860 18296 1941 1 5 . 1 1 51 51 ALA CB C 358 19.690 19.690 19.205 0.485 18296 1942 1 5 . 1 1 51 51 ALA H H 358 7.558 7.558 7.464 0.094 18296 1943 1 5 . 1 1 52 52 GLY N N 359 107.058 107.058 108.930 -1.872 18296 1944 1 5 . 1 1 52 52 GLY C C 359 178.221 178.221 174.567 3.654 18296 1945 1 5 . 1 1 52 52 GLY CA C 359 46.323 46.323 45.450 0.873 18296 1946 1 5 . 1 1 52 52 GLY H H 359 7.481 7.481 7.980 -0.499 18296 1947 1 5 . 1 1 53 53 LEU N N 360 118.335 118.335 117.327 1.008 18296 1948 1 5 . 1 1 53 53 LEU HA H 360 4.002 4.002 4.841 -0.839 18296 1949 1 5 . 1 1 53 53 LEU C C 360 176.917 176.917 176.378 0.539 18296 1950 1 5 . 1 1 53 53 LEU CA C 360 54.926 54.926 52.685 2.241 18296 1951 1 5 . 1 1 53 53 LEU CB C 360 39.949 39.949 42.784 -2.835 18296 1952 1 5 . 1 1 53 53 LEU H H 360 7.502 7.502 7.315 0.187 18296 1953 1 5 . 1 1 54 54 TYR N N 361 124.191 124.191 120.422 3.769 18296 1954 1 5 . 1 1 54 54 TYR HA H 361 4.024 4.024 4.423 -0.399 18296 1955 1 5 . 1 1 54 54 TYR C C 361 178.584 178.584 175.068 3.516 18296 1956 1 5 . 1 1 54 54 TYR CA C 361 59.385 59.385 59.259 0.126 18296 1957 1 5 . 1 1 54 54 TYR CB C 361 39.068 39.068 39.332 -0.264 18296 1958 1 5 . 1 1 54 54 TYR H H 361 9.307 9.307 8.667 0.640 18296 1959 1 5 . 1 1 55 55 MET N N 362 127.473 127.473 127.989 -0.516 18296 1960 1 5 . 1 1 55 55 MET HA H 362 4.953 4.953 4.549 0.404 18296 1961 1 5 . 1 1 55 55 MET C C 362 179.342 179.342 174.341 5.001 18296 1962 1 5 . 1 1 55 55 MET CA C 362 54.918 54.918 54.256 0.662 18296 1963 1 5 . 1 1 55 55 MET CB C 362 35.857 35.857 34.704 1.153 18296 1964 1 5 . 1 1 55 55 MET H H 362 7.575 7.575 7.906 -0.331 18296 1965 1 5 . 1 1 56 56 LYS N N 363 124.429 124.429 125.598 -1.169 18296 1966 1 5 . 1 1 56 56 LYS HA H 363 4.339 4.339 4.346 -0.007 18296 1967 1 5 . 1 1 56 56 LYS C C 363 178.541 178.541 174.943 3.598 18296 1968 1 5 . 1 1 56 56 LYS CA C 363 54.939 54.939 55.270 -0.332 18296 1969 1 5 . 1 1 56 56 LYS CB C 363 35.977 35.977 34.712 1.265 18296 1970 1 5 . 1 1 56 56 LYS H H 363 8.575 8.575 7.853 0.722 18296 1971 1 5 . 1 1 57 57 MET N N 364 123.350 123.350 118.610 4.740 18296 1972 1 5 . 1 1 57 57 MET HA H 364 4.801 4.801 4.886 -0.085 18296 1973 1 5 . 1 1 57 57 MET C C 364 178.016 178.016 175.209 2.807 18296 1974 1 5 . 1 1 57 57 MET CA C 364 54.111 54.111 54.817 -0.706 18296 1975 1 5 . 1 1 57 57 MET H H 364 8.484 8.484 8.268 0.216 18296 1976 1 5 . 1 1 58 58 GLU N N 365 121.319 121.319 120.172 1.147 18296 1977 1 5 . 1 1 58 58 GLU H H 365 8.193 8.193 8.687 -0.494 18296 1978 1 5 . 1 1 59 59 PRO HA H 366 4.665 4.665 4.256 0.409 18296 1979 1 5 . 1 1 59 59 PRO C C 366 176.742 176.742 175.939 0.803 18296 1980 1 5 . 1 1 59 59 PRO CA C 366 62.524 62.524 62.756 -0.232 18296 1981 1 5 . 1 1 59 59 PRO CB C 366 32.125 32.125 32.100 0.025 18296 1982 1 5 . 1 1 60 60 VAL N N 367 122.754 122.754 123.199 -0.445 18296 1983 1 5 . 1 1 60 60 VAL HA H 367 4.105 4.105 4.335 -0.230 18296 1984 1 5 . 1 1 60 60 VAL C C 367 178.435 178.435 174.277 4.158 18296 1985 1 5 . 1 1 60 60 VAL CA C 367 61.529 61.529 59.559 1.970 18296 1986 1 5 . 1 1 60 60 VAL CB C 367 34.057 34.057 35.945 -1.888 18296 1987 1 5 . 1 1 60 60 VAL H H 367 8.509 8.509 8.309 0.200 18296 1988 1 5 . 1 1 61 61 LYS N N 368 126.381 126.381 125.978 0.403 18296 1989 1 5 . 1 1 61 61 LYS HA H 368 4.180 4.180 5.297 -1.117 18296 1990 1 5 . 1 1 61 61 LYS C C 368 177.499 177.499 174.997 2.502 18296 1991 1 5 . 1 1 61 61 LYS CA C 368 56.047 56.047 55.142 0.905 18296 1992 1 5 . 1 1 61 61 LYS CB C 368 33.313 33.313 32.173 1.140 18296 1993 1 5 . 1 1 61 61 LYS H H 368 8.379 8.379 8.514 -0.135 18296 1994 1 5 . 1 1 62 62 GLU N N 369 123.927 123.927 121.586 2.341 18296 1995 1 5 . 1 1 62 62 GLU HA H 369 4.246 4.246 4.452 -0.206 18296 1996 1 5 . 1 1 62 62 GLU C C 369 177.861 177.861 174.544 3.317 18296 1997 1 5 . 1 1 62 62 GLU CA C 369 55.596 55.596 55.727 -0.131 18296 1998 1 5 . 1 1 62 62 GLU CB C 369 31.289 31.289 32.274 -0.985 18296 1999 1 5 . 1 1 62 62 GLU H H 369 8.355 8.355 8.431 -0.076 18296 2000 1 5 . 1 1 63 63 LEU N N 370 124.406 124.406 125.460 -1.054 18296 2001 1 5 . 1 1 63 63 LEU HA H 370 4.356 4.356 4.795 -0.439 18296 2002 1 5 . 1 1 63 63 LEU C C 370 176.026 176.026 175.595 0.431 18296 2003 1 5 . 1 1 63 63 LEU CA C 370 55.223 55.223 54.608 0.615 18296 2004 1 5 . 1 1 63 63 LEU CB C 370 42.061 42.061 41.645 0.416 18296 2005 1 5 . 1 1 63 63 LEU H H 370 8.419 8.419 8.609 -0.190 18296 2006 1 5 . 1 1 64 64 THR N N 371 114.722 114.722 114.324 0.398 18296 2007 1 5 . 1 1 64 64 THR HA H 371 4.306 4.306 4.457 -0.151 18296 2008 1 5 . 1 1 64 64 THR C C 371 178.158 178.158 174.836 3.322 18296 2009 1 5 . 1 1 64 64 THR CA C 371 61.196 61.196 61.257 -0.061 18296 2010 1 5 . 1 1 64 64 THR CB C 371 70.416 70.416 69.893 0.523 18296 2011 1 5 . 1 1 64 64 THR H H 371 7.966 7.966 8.398 -0.432 18296 2012 1 5 . 1 1 65 65 GLY N N 372 111.711 111.711 113.160 -1.449 18296 2013 1 5 . 1 1 65 65 GLY C C 372 178.512 178.512 174.418 4.094 18296 2014 1 5 . 1 1 65 65 GLY CA C 372 46.227 46.227 44.757 1.470 18296 2015 1 5 . 1 1 65 65 GLY H H 372 8.565 8.565 7.989 0.576 18296 2016 1 5 . 1 1 66 66 GLY N N 373 108.771 108.771 110.849 -2.078 18296 2017 1 5 . 1 1 66 66 GLY C C 373 178.999 178.999 174.888 4.111 18296 2018 1 5 . 1 1 66 66 GLY CA C 373 45.287 45.287 44.495 0.792 18296 2019 1 5 . 1 1 66 66 GLY H H 373 8.227 8.227 8.661 -0.434 18296 2020 1 5 . 1 1 67 67 GLY N N 374 108.901 108.901 107.874 1.027 18296 2021 1 5 . 1 1 67 67 GLY C C 374 179.721 179.721 174.855 4.866 18296 2022 1 5 . 1 1 67 67 GLY CA C 374 44.987 44.987 44.853 0.134 18296 2023 1 5 . 1 1 67 67 GLY H H 374 7.876 7.876 7.916 -0.040 18296 2024 1 5 . 1 1 68 68 THR N N 375 114.505 114.505 114.405 0.100 18296 2025 1 5 . 1 1 68 68 THR HA H 375 4.450 4.450 4.022 0.428 18296 2026 1 5 . 1 1 68 68 THR C C 375 178.997 178.997 174.412 4.585 18296 2027 1 5 . 1 1 68 68 THR CA C 375 61.900 61.900 63.206 -1.306 18296 2028 1 5 . 1 1 68 68 THR CB C 375 70.047 70.047 67.524 2.523 18296 2029 1 5 . 1 1 68 68 THR H H 375 8.112 8.112 8.185 -0.073 18296 2030 1 5 . 1 1 69 69 THR N N 376 118.054 118.054 111.866 6.188 18296 2031 1 5 . 1 1 69 69 THR HA H 376 4.302 4.302 3.821 0.481 18296 2032 1 5 . 1 1 69 69 THR C C 376 180.403 180.403 174.148 6.255 18296 2033 1 5 . 1 1 69 69 THR CA C 376 61.114 61.114 65.820 -4.706 18296 2034 1 5 . 1 1 69 69 THR CB C 376 70.422 70.422 67.766 2.656 18296 2035 1 5 . 1 1 69 69 THR H H 376 8.259 8.259 8.428 -0.169 18296 2036 1 5 . 1 1 70 70 PHE N N 377 122.009 122.009 125.403 -3.394 18296 2037 1 5 . 1 1 70 70 PHE HA H 377 4.910 4.910 4.829 0.081 18296 2038 1 5 . 1 1 70 70 PHE C C 377 177.972 177.972 174.346 3.626 18296 2039 1 5 . 1 1 70 70 PHE CA C 377 57.227 57.227 57.051 0.176 18296 2040 1 5 . 1 1 70 70 PHE CB C 377 40.873 40.873 40.851 0.022 18296 2041 1 5 . 1 1 70 70 PHE H H 377 8.351 8.351 8.283 0.068 18296 2042 1 5 . 1 1 71 71 SER N N 378 117.853 117.853 122.181 -4.328 18296 2043 1 5 . 1 1 71 71 SER HA H 378 4.493 4.493 4.659 -0.166 18296 2044 1 5 . 1 1 71 71 SER C C 378 180.063 180.063 171.998 8.065 18296 2045 1 5 . 1 1 71 71 SER CA C 378 57.276 57.276 56.316 0.960 18296 2046 1 5 . 1 1 71 71 SER CB C 378 64.612 64.612 66.268 -1.656 18296 2047 1 5 . 1 1 71 71 SER H H 378 8.519 8.519 8.139 0.380 18296 2048 1 5 . 1 1 72 72 VAL N N 379 120.162 120.162 120.763 -0.601 18296 2049 1 5 . 1 1 72 72 VAL HA H 379 4.441 4.441 4.211 0.230 18296 2050 1 5 . 1 1 72 72 VAL C C 379 178.192 178.192 174.528 3.664 18296 2051 1 5 . 1 1 72 72 VAL CA C 379 61.369 61.369 60.886 0.483 18296 2052 1 5 . 1 1 72 72 VAL CB C 379 33.944 33.944 33.902 0.042 18296 2053 1 5 . 1 1 72 72 VAL H H 379 8.277 8.277 8.332 -0.055 18296 2054 1 5 . 1 1 73 73 ARG N N 380 126.538 126.538 123.976 2.562 18296 2055 1 5 . 1 1 73 73 ARG HA H 380 4.430 4.430 4.528 -0.098 18296 2056 1 5 . 1 1 73 73 ARG C C 380 177.524 177.524 174.365 3.159 18296 2057 1 5 . 1 1 73 73 ARG CA C 380 54.744 54.744 55.056 -0.312 18296 2058 1 5 . 1 1 73 73 ARG CB C 380 32.635 32.635 33.590 -0.955 18296 2059 1 5 . 1 1 73 73 ARG H H 380 8.727 8.727 8.367 0.360 18296 2060 1 5 . 1 1 74 74 LYS N N 381 126.485 126.485 121.693 4.792 18296 2061 1 5 . 1 1 74 74 LYS HA H 381 4.613 4.613 4.725 -0.112 18296 2062 1 5 . 1 1 74 74 LYS C C 381 178.050 178.050 175.878 2.172 18296 2063 1 5 . 1 1 74 74 LYS CA C 381 56.325 56.325 55.702 0.623 18296 2064 1 5 . 1 1 74 74 LYS CB C 381 33.149 33.149 35.524 -2.375 18296 2065 1 5 . 1 1 74 74 LYS H H 381 8.636 8.636 8.397 0.239 18296 2066 1 5 . 1 1 75 75 THR N N 382 120.767 120.767 121.783 -1.016 18296 2067 1 5 . 1 1 75 75 THR HA H 382 3.791 3.791 4.259 -0.468 18296 2068 1 5 . 1 1 75 75 THR C C 382 181.578 181.578 172.966 8.612 18296 2069 1 5 . 1 1 75 75 THR CA C 382 61.703 61.703 61.582 0.121 18296 2070 1 5 . 1 1 75 75 THR CB C 382 70.771 70.771 68.383 2.388 18296 2071 1 5 . 1 1 75 75 THR H H 382 8.544 8.544 7.970 0.574 18296 2072 1 5 . 1 1 76 76 ALA N N 383 126.390 126.390 128.870 -2.480 18296 2073 1 5 . 1 1 76 76 ALA HA H 383 5.358 5.358 4.857 0.501 18296 2074 1 5 . 1 1 76 76 ALA C C 383 178.931 178.931 175.455 3.476 18296 2075 1 5 . 1 1 76 76 ALA CA C 383 50.669 50.669 50.462 0.207 18296 2076 1 5 . 1 1 76 76 ALA CB C 383 24.682 24.682 21.447 3.235 18296 2077 1 5 . 1 1 76 76 ALA H H 383 7.981 7.981 8.094 -0.113 18296 2078 1 5 . 1 1 77 77 TYR N N 384 116.182 116.182 119.066 -2.884 18296 2079 1 5 . 1 1 77 77 TYR HA H 384 5.920 5.920 4.865 1.055 18296 2080 1 5 . 1 1 77 77 TYR C C 384 177.384 177.384 176.012 1.372 18296 2081 1 5 . 1 1 77 77 TYR CA C 384 56.234 56.234 56.560 -0.326 18296 2082 1 5 . 1 1 77 77 TYR CB C 384 43.201 43.201 42.059 1.142 18296 2083 1 5 . 1 1 77 77 TYR H H 384 7.899 7.899 8.092 -0.193 18296 2084 1 5 . 1 1 78 78 CYS N N 385 121.146 121.146 118.356 2.790 18296 2085 1 5 . 1 1 78 78 CYS HA H 385 4.312 4.312 4.083 0.229 18296 2086 1 5 . 1 1 78 78 CYS C C 385 178.543 178.543 176.817 1.726 18296 2087 1 5 . 1 1 78 78 CYS CA C 385 58.293 58.293 58.204 0.089 18296 2088 1 5 . 1 1 78 78 CYS CB C 385 29.815 29.815 28.852 0.963 18296 2089 1 5 . 1 1 78 78 CYS H H 385 9.855 9.855 8.573 1.282 18296 2090 1 5 . 1 1 79 79 ASP N N 386 115.334 115.334 121.560 -6.226 18296 2091 1 5 . 1 1 79 79 ASP HA H 386 3.946 3.946 4.322 -0.376 18296 2092 1 5 . 1 1 79 79 ASP C C 386 175.510 175.510 177.742 -2.232 18296 2093 1 5 . 1 1 79 79 ASP CA C 386 57.118 57.118 56.484 0.634 18296 2094 1 5 . 1 1 79 79 ASP CB C 386 40.495 40.495 40.280 0.215 18296 2095 1 5 . 1 1 79 79 ASP H H 386 7.657 7.657 8.425 -0.768 18296 2096 1 5 . 1 1 80 80 VAL N N 387 119.872 119.872 114.720 5.152 18296 2097 1 5 . 1 1 80 80 VAL HA H 387 3.579 3.579 4.155 -0.576 18296 2098 1 5 . 1 1 80 80 VAL C C 387 176.437 176.437 175.479 0.958 18296 2099 1 5 . 1 1 80 80 VAL CA C 387 64.272 64.272 62.551 1.720 18296 2100 1 5 . 1 1 80 80 VAL CB C 387 31.798 31.798 29.983 1.815 18296 2101 1 5 . 1 1 80 80 VAL H H 387 7.601 7.601 7.369 0.232 18296 2102 1 5 . 1 1 81 81 HIS N N 388 119.244 119.244 120.384 -1.140 18296 2103 1 5 . 1 1 81 81 HIS HA H 388 4.632 4.632 4.557 0.075 18296 2104 1 5 . 1 1 81 81 HIS C C 388 180.644 180.644 176.350 4.294 18296 2105 1 5 . 1 1 81 81 HIS CA C 388 56.212 56.212 58.738 -2.526 18296 2106 1 5 . 1 1 81 81 HIS CB C 388 31.774 31.774 31.247 0.527 18296 2107 1 5 . 1 1 81 81 HIS H H 388 7.385 7.385 7.688 -0.303 18296 2108 1 5 . 1 1 82 82 THR N N 389 117.899 117.899 116.333 1.566 18296 2109 1 5 . 1 1 82 82 THR HA H 389 3.733 3.733 4.316 -0.583 18296 2110 1 5 . 1 1 82 82 THR C C 389 181.155 181.155 174.212 6.943 18296 2111 1 5 . 1 1 82 82 THR CA C 389 61.844 61.844 65.686 -3.842 18296 2112 1 5 . 1 1 82 82 THR CB C 389 70.285 70.285 66.484 3.801 18296 2113 1 5 . 1 1 82 82 THR H H 389 7.133 7.133 7.694 -0.561 18296 2114 1 5 . 1 1 83 83 PRO HA H 390 4.192 4.192 4.400 -0.208 18296 2115 1 5 . 1 1 83 83 PRO CA C 390 61.509 61.509 65.121 -3.612 18296 2116 1 5 . 1 1 83 83 PRO CB C 390 30.773 30.773 30.220 0.553 18296 2117 1 5 . 1 1 84 84 PRO HA H 391 4.220 4.220 4.229 -0.009 18296 2118 1 5 . 1 1 84 84 PRO C C 391 175.949 175.949 176.952 -1.003 18296 2119 1 5 . 1 1 84 84 PRO CA C 391 63.032 63.032 63.955 -0.923 18296 2120 1 5 . 1 1 84 84 PRO CB C 391 31.983 31.983 31.727 0.256 18296 2121 1 5 . 1 1 85 85 GLY N N 392 109.626 109.626 105.833 3.793 18296 2122 1 5 . 1 1 85 85 GLY C C 392 179.223 179.223 173.590 5.633 18296 2123 1 5 . 1 1 85 85 GLY CA C 392 45.359 45.359 44.243 1.116 18296 2124 1 5 . 1 1 85 85 GLY H H 392 8.367 8.367 7.489 0.878 18296 2125 1 5 . 1 1 86 86 SER N N 393 115.675 115.675 115.249 0.426 18296 2126 1 5 . 1 1 86 86 SER HA H 393 4.354 4.354 4.293 0.061 18296 2127 1 5 . 1 1 86 86 SER C C 393 179.569 179.569 172.952 6.617 18296 2128 1 5 . 1 1 86 86 SER CA C 393 58.521 58.521 58.740 -0.219 18296 2129 1 5 . 1 1 86 86 SER CB C 393 63.913 63.913 62.658 1.255 18296 2130 1 5 . 1 1 86 86 SER H H 393 8.022 8.022 8.407 -0.385 18296 2131 1 6 . 1 1 10 10 ASN N N 317 120.101 120.101 118.684 1.417 18296 2132 1 6 . 1 1 10 10 ASN HA H 317 4.501 4.501 4.886 -0.385 18296 2133 1 6 . 1 1 10 10 ASN C C 317 179.015 179.015 174.302 4.713 18296 2134 1 6 . 1 1 10 10 ASN CA C 317 53.191 53.191 53.106 0.085 18296 2135 1 6 . 1 1 10 10 ASN CB C 317 38.650 38.650 39.290 -0.640 18296 2136 1 6 . 1 1 10 10 ASN H H 317 8.415 8.415 8.226 0.189 18296 2137 1 6 . 1 1 11 11 ILE N N 318 122.869 122.869 121.632 1.237 18296 2138 1 6 . 1 1 11 11 ILE HA H 318 4.250 4.250 4.347 -0.097 18296 2139 1 6 . 1 1 11 11 ILE C C 318 179.506 179.506 174.842 4.664 18296 2140 1 6 . 1 1 11 11 ILE CA C 318 58.332 58.332 58.000 0.332 18296 2141 1 6 . 1 1 11 11 ILE CB C 318 38.713 38.713 37.669 1.044 18296 2142 1 6 . 1 1 11 11 ILE H H 318 7.924 7.924 7.705 0.219 18296 2143 1 6 . 1 1 12 12 PRO HA H 319 4.359 4.359 4.354 0.005 18296 2144 1 6 . 1 1 12 12 PRO CA C 319 61.487 61.487 64.296 -2.809 18296 2145 1 6 . 1 1 12 12 PRO CB C 319 30.960 30.960 30.766 0.194 18296 2146 1 6 . 1 1 13 13 PRO HA H 320 3.968 3.968 4.280 -0.312 18296 2147 1 6 . 1 1 13 13 PRO C C 320 176.730 176.730 175.297 1.433 18296 2148 1 6 . 1 1 13 13 PRO CA C 320 62.874 62.874 62.657 0.217 18296 2149 1 6 . 1 1 13 13 PRO CB C 320 31.948 31.948 30.022 1.926 18296 2150 1 6 . 1 1 14 14 ALA N N 321 123.469 123.469 125.115 -1.646 18296 2151 1 6 . 1 1 14 14 ALA HA H 321 3.952 3.952 4.047 -0.095 18296 2152 1 6 . 1 1 14 14 ALA C C 321 175.208 175.208 177.062 -1.854 18296 2153 1 6 . 1 1 14 14 ALA CA C 321 52.876 52.876 52.043 0.833 18296 2154 1 6 . 1 1 14 14 ALA CB C 321 18.896 18.896 19.505 -0.609 18296 2155 1 6 . 1 1 14 14 ALA H H 321 8.108 8.108 7.575 0.533 18296 2156 1 6 . 1 1 15 15 ARG N N 322 118.725 118.725 119.320 -0.595 18296 2157 1 6 . 1 1 15 15 ARG HA H 322 3.943 3.943 4.062 -0.119 18296 2158 1 6 . 1 1 15 15 ARG C C 322 176.870 176.870 176.888 -0.018 18296 2159 1 6 . 1 1 15 15 ARG CA C 322 56.737 56.737 57.790 -1.053 18296 2160 1 6 . 1 1 15 15 ARG CB C 322 30.230 30.230 30.328 -0.098 18296 2161 1 6 . 1 1 15 15 ARG H H 322 8.077 8.077 7.822 0.255 18296 2162 1 6 . 1 1 16 16 TRP N N 323 120.113 120.113 119.594 0.519 18296 2163 1 6 . 1 1 16 16 TRP HA H 323 4.471 4.471 4.757 -0.286 18296 2164 1 6 . 1 1 16 16 TRP C C 323 177.322 177.322 175.565 1.757 18296 2165 1 6 . 1 1 16 16 TRP CA C 323 57.143 57.143 53.616 3.527 18296 2166 1 6 . 1 1 16 16 TRP CB C 323 29.192 29.192 27.072 2.120 18296 2167 1 6 . 1 1 16 16 TRP H H 323 7.634 7.634 7.307 0.327 18296 2168 1 6 . 1 1 17 17 LYS N N 324 121.400 121.400 124.054 -2.654 18296 2169 1 6 . 1 1 17 17 LYS HA H 324 3.951 3.951 4.462 -0.511 18296 2170 1 6 . 1 1 17 17 LYS C C 324 179.457 179.457 175.536 3.921 18296 2171 1 6 . 1 1 17 17 LYS CA C 324 56.502 56.502 55.494 1.008 18296 2172 1 6 . 1 1 17 17 LYS CB C 324 32.867 32.867 31.274 1.593 18296 2173 1 6 . 1 1 17 17 LYS H H 324 7.735 7.735 8.007 -0.272 18296 2174 1 6 . 1 1 18 18 LEU N N 325 121.064 121.064 124.176 -3.112 18296 2175 1 6 . 1 1 18 18 LEU HA H 325 4.141 4.141 4.300 -0.159 18296 2176 1 6 . 1 1 18 18 LEU C C 325 176.781 176.781 176.201 0.580 18296 2177 1 6 . 1 1 18 18 LEU CA C 325 54.574 54.574 54.881 -0.307 18296 2178 1 6 . 1 1 18 18 LEU CB C 325 42.252 42.252 41.383 0.869 18296 2179 1 6 . 1 1 18 18 LEU H H 325 7.708 7.708 7.721 -0.013 18296 2180 1 6 . 1 1 19 19 THR N N 326 117.252 117.252 117.628 -0.376 18296 2181 1 6 . 1 1 19 19 THR HA H 326 3.935 3.935 4.503 -0.568 18296 2182 1 6 . 1 1 19 19 THR C C 326 180.854 180.854 172.834 8.020 18296 2183 1 6 . 1 1 19 19 THR CA C 326 61.977 61.977 60.664 1.313 18296 2184 1 6 . 1 1 19 19 THR CB C 326 70.166 70.166 70.679 -0.513 18296 2185 1 6 . 1 1 19 19 THR H H 326 7.915 7.915 8.046 -0.131 18296 2186 1 6 . 1 1 20 20 CYS N N 327 127.254 127.254 122.789 4.465 18296 2187 1 6 . 1 1 20 20 CYS HA H 327 4.324 4.324 5.214 -0.890 18296 2188 1 6 . 1 1 20 20 CYS C C 327 175.898 175.898 176.034 -0.136 18296 2189 1 6 . 1 1 20 20 CYS CA C 327 57.928 57.928 56.950 0.978 18296 2190 1 6 . 1 1 20 20 CYS CB C 327 31.298 31.298 29.189 2.109 18296 2191 1 6 . 1 1 20 20 CYS H H 327 8.055 8.055 8.551 -0.496 18296 2192 1 6 . 1 1 21 21 TYR N N 328 129.752 129.752 121.737 8.015 18296 2193 1 6 . 1 1 21 21 TYR HA H 328 4.488 4.488 4.554 -0.066 18296 2194 1 6 . 1 1 21 21 TYR C C 328 178.625 178.625 176.350 2.275 18296 2195 1 6 . 1 1 21 21 TYR CA C 328 58.951 58.951 58.996 -0.045 18296 2196 1 6 . 1 1 21 21 TYR CB C 328 37.712 37.712 38.000 -0.288 18296 2197 1 6 . 1 1 21 21 TYR H H 328 9.082 9.082 8.131 0.951 18296 2198 1 6 . 1 1 22 22 LEU N N 329 124.057 124.057 118.661 5.396 18296 2199 1 6 . 1 1 22 22 LEU HA H 329 3.749 3.749 4.337 -0.588 18296 2200 1 6 . 1 1 22 22 LEU C C 329 176.268 176.268 176.601 -0.333 18296 2201 1 6 . 1 1 22 22 LEU CA C 329 56.514 56.514 55.443 1.071 18296 2202 1 6 . 1 1 22 22 LEU CB C 329 42.975 42.975 42.443 0.532 18296 2203 1 6 . 1 1 22 22 LEU H H 329 8.140 8.140 7.220 0.920 18296 2204 1 6 . 1 1 23 23 CYS N N 330 117.734 117.734 116.589 1.145 18296 2205 1 6 . 1 1 23 23 CYS HA H 330 4.741 4.741 4.751 -0.010 18296 2206 1 6 . 1 1 23 23 CYS C C 330 177.769 177.769 173.158 4.611 18296 2207 1 6 . 1 1 23 23 CYS CA C 330 58.459 58.459 57.544 0.915 18296 2208 1 6 . 1 1 23 23 CYS CB C 330 30.918 30.918 31.671 -0.753 18296 2209 1 6 . 1 1 23 23 CYS H H 330 7.971 7.971 7.351 0.620 18296 2210 1 6 . 1 1 24 24 LYS N N 331 118.437 118.437 119.546 -1.109 18296 2211 1 6 . 1 1 24 24 LYS HA H 331 3.980 3.980 4.469 -0.489 18296 2212 1 6 . 1 1 24 24 LYS C C 331 178.178 178.178 175.003 3.175 18296 2213 1 6 . 1 1 24 24 LYS CA C 331 57.520 57.520 56.310 1.210 18296 2214 1 6 . 1 1 24 24 LYS CB C 331 29.278 29.278 32.621 -3.343 18296 2215 1 6 . 1 1 24 24 LYS H H 331 7.842 7.842 8.397 -0.555 18296 2216 1 6 . 1 1 25 25 GLN N N 332 118.445 118.445 120.150 -1.705 18296 2217 1 6 . 1 1 25 25 GLN HA H 332 4.574 4.574 4.579 -0.005 18296 2218 1 6 . 1 1 25 25 GLN C C 332 177.619 177.619 174.345 3.274 18296 2219 1 6 . 1 1 25 25 GLN CA C 332 54.362 54.362 54.849 -0.487 18296 2220 1 6 . 1 1 25 25 GLN CB C 332 31.843 31.843 31.297 0.546 18296 2221 1 6 . 1 1 25 25 GLN H H 332 8.306 8.306 8.095 0.211 18296 2222 1 6 . 1 1 26 26 LYS N N 333 122.851 122.851 123.998 -1.147 18296 2223 1 6 . 1 1 26 26 LYS HA H 333 4.222 4.222 4.289 -0.067 18296 2224 1 6 . 1 1 26 26 LYS C C 333 175.456 175.456 177.855 -2.399 18296 2225 1 6 . 1 1 26 26 LYS CA C 333 57.729 57.729 56.571 1.158 18296 2226 1 6 . 1 1 26 26 LYS CB C 333 32.925 32.925 32.810 0.115 18296 2227 1 6 . 1 1 26 26 LYS H H 333 8.545 8.545 8.569 -0.024 18296 2228 1 6 . 1 1 27 27 GLY N N 334 107.216 107.216 114.399 -7.183 18296 2229 1 6 . 1 1 27 27 GLY C C 334 180.017 180.017 174.824 5.193 18296 2230 1 6 . 1 1 27 27 GLY CA C 334 45.559 45.559 46.282 -0.723 18296 2231 1 6 . 1 1 27 27 GLY H H 334 8.348 8.348 8.777 -0.429 18296 2232 1 6 . 1 1 28 28 VAL N N 335 117.437 117.437 120.444 -3.007 18296 2233 1 6 . 1 1 28 28 VAL HA H 335 4.133 4.133 3.620 0.513 18296 2234 1 6 . 1 1 28 28 VAL C C 335 177.439 177.439 176.486 0.953 18296 2235 1 6 . 1 1 28 28 VAL CA C 335 61.502 61.502 64.811 -3.309 18296 2236 1 6 . 1 1 28 28 VAL CB C 335 33.563 33.563 30.496 3.067 18296 2237 1 6 . 1 1 28 28 VAL H H 335 7.867 7.867 8.131 -0.264 18296 2238 1 6 . 1 1 29 29 GLY N N 336 110.723 110.723 107.955 2.768 18296 2239 1 6 . 1 1 29 29 GLY C C 336 180.088 180.088 172.908 7.180 18296 2240 1 6 . 1 1 29 29 GLY CA C 336 44.344 44.344 45.896 -1.552 18296 2241 1 6 . 1 1 29 29 GLY H H 336 8.186 8.186 8.334 -0.148 18296 2242 1 6 . 1 1 30 30 ALA N N 337 122.643 122.643 125.456 -2.813 18296 2243 1 6 . 1 1 30 30 ALA HA H 337 4.193 4.193 4.795 -0.602 18296 2244 1 6 . 1 1 30 30 ALA C C 337 175.274 175.274 176.303 -1.029 18296 2245 1 6 . 1 1 30 30 ALA CA C 337 52.904 52.904 51.060 1.844 18296 2246 1 6 . 1 1 30 30 ALA CB C 337 19.677 19.677 20.248 -0.571 18296 2247 1 6 . 1 1 30 30 ALA H H 337 8.269 8.269 8.010 0.259 18296 2248 1 6 . 1 1 31 31 SER N N 338 117.644 117.644 116.302 1.342 18296 2249 1 6 . 1 1 31 31 SER HA H 338 4.775 4.775 4.830 -0.055 18296 2250 1 6 . 1 1 31 31 SER C C 338 180.923 180.923 172.919 8.004 18296 2251 1 6 . 1 1 31 31 SER CA C 338 57.406 57.406 57.229 0.177 18296 2252 1 6 . 1 1 31 31 SER CB C 338 65.388 65.388 66.159 -0.771 18296 2253 1 6 . 1 1 31 31 SER H H 338 8.415 8.415 8.428 -0.013 18296 2254 1 6 . 1 1 32 32 ILE N N 339 121.240 121.240 121.174 0.066 18296 2255 1 6 . 1 1 32 32 ILE HA H 339 4.123 4.123 4.354 -0.231 18296 2256 1 6 . 1 1 32 32 ILE C C 339 181.302 181.302 173.030 8.272 18296 2257 1 6 . 1 1 32 32 ILE CA C 339 59.768 59.768 59.601 0.167 18296 2258 1 6 . 1 1 32 32 ILE CB C 339 41.252 41.252 42.344 -1.092 18296 2259 1 6 . 1 1 32 32 ILE H H 339 8.522 8.522 8.933 -0.411 18296 2260 1 6 . 1 1 33 33 GLN N N 340 120.384 120.384 127.062 -6.678 18296 2261 1 6 . 1 1 33 33 GLN HA H 340 4.335 4.335 4.991 -0.656 18296 2262 1 6 . 1 1 33 33 GLN C C 340 179.377 179.377 174.778 4.599 18296 2263 1 6 . 1 1 33 33 GLN CA C 340 53.739 53.739 53.897 -0.158 18296 2264 1 6 . 1 1 33 33 GLN CB C 340 32.179 32.179 31.360 0.819 18296 2265 1 6 . 1 1 33 33 GLN H H 340 7.720 7.720 8.222 -0.502 18296 2266 1 6 . 1 1 34 34 CYS N N 341 125.463 125.463 128.316 -2.853 18296 2267 1 6 . 1 1 34 34 CYS HA H 341 4.036 4.036 4.958 -0.922 18296 2268 1 6 . 1 1 34 34 CYS C C 341 178.269 178.269 176.434 1.835 18296 2269 1 6 . 1 1 34 34 CYS CA C 341 60.992 60.992 58.817 2.175 18296 2270 1 6 . 1 1 34 34 CYS CB C 341 32.346 32.346 28.189 4.157 18296 2271 1 6 . 1 1 34 34 CYS H H 341 8.292 8.292 8.961 -0.669 18296 2272 1 6 . 1 1 35 35 HIS N N 342 126.611 126.611 128.568 -1.957 18296 2273 1 6 . 1 1 35 35 HIS HA H 342 4.128 4.128 4.278 -0.150 18296 2274 1 6 . 1 1 35 35 HIS CA C 342 57.556 57.556 57.733 -0.177 18296 2275 1 6 . 1 1 35 35 HIS CB C 342 29.945 29.945 30.985 -1.040 18296 2276 1 6 . 1 1 35 35 HIS H H 342 8.722 8.722 8.268 0.454 18296 2277 1 6 . 1 1 36 36 LYS N N 343 124.049 124.049 116.486 7.563 18296 2278 1 6 . 1 1 36 36 LYS HA H 343 3.940 3.940 3.866 0.074 18296 2279 1 6 . 1 1 36 36 LYS C C 343 176.701 176.701 175.866 0.835 18296 2280 1 6 . 1 1 36 36 LYS CA C 343 56.155 56.155 56.301 -0.146 18296 2281 1 6 . 1 1 36 36 LYS CB C 343 33.033 33.033 32.527 0.506 18296 2282 1 6 . 1 1 36 36 LYS H H 343 8.567 8.567 8.110 0.457 18296 2283 1 6 . 1 1 37 37 ALA N N 344 130.751 130.751 127.859 2.892 18296 2284 1 6 . 1 1 37 37 ALA HA H 344 3.733 3.733 3.076 0.657 18296 2285 1 6 . 1 1 37 37 ALA C C 344 175.302 175.302 177.543 -2.241 18296 2286 1 6 . 1 1 37 37 ALA CA C 344 53.917 53.917 53.675 0.242 18296 2287 1 6 . 1 1 37 37 ALA CB C 344 18.206 18.206 18.374 -0.168 18296 2288 1 6 . 1 1 37 37 ALA H H 344 8.363 8.363 8.490 -0.127 18296 2289 1 6 . 1 1 38 38 ASN N N 345 114.094 114.094 116.044 -1.950 18296 2290 1 6 . 1 1 38 38 ASN HA H 345 3.885 3.885 4.610 -0.725 18296 2291 1 6 . 1 1 38 38 ASN C C 345 181.195 181.195 176.284 4.911 18296 2292 1 6 . 1 1 38 38 ASN CA C 345 53.606 53.606 54.898 -1.292 18296 2293 1 6 . 1 1 38 38 ASN CB C 345 37.443 37.443 38.438 -0.995 18296 2294 1 6 . 1 1 38 38 ASN H H 345 8.292 8.292 8.410 -0.118 18296 2295 1 6 . 1 1 39 39 CYS N N 346 121.417 121.417 118.456 2.961 18296 2296 1 6 . 1 1 39 39 CYS C C 346 178.723 178.723 175.534 3.189 18296 2297 1 6 . 1 1 39 39 CYS H H 346 7.283 7.283 7.611 -0.328 18296 2298 1 6 . 1 1 40 40 TYR HA H 347 4.212 4.212 4.280 -0.068 18296 2299 1 6 . 1 1 40 40 TYR C C 347 178.156 178.156 174.306 3.850 18296 2300 1 6 . 1 1 40 40 TYR CA C 347 56.478 56.478 59.134 -2.656 18296 2301 1 6 . 1 1 40 40 TYR CB C 347 37.446 37.446 35.577 1.869 18296 2302 1 6 . 1 1 40 40 TYR H H 347 7.923 7.923 8.125 -0.202 18296 2303 1 6 . 1 1 41 41 THR N N 348 122.674 122.674 117.031 5.643 18296 2304 1 6 . 1 1 41 41 THR HA H 348 3.806 3.806 4.743 -0.937 18296 2305 1 6 . 1 1 41 41 THR C C 348 182.343 182.343 173.294 9.049 18296 2306 1 6 . 1 1 41 41 THR CA C 348 64.932 64.932 62.029 2.903 18296 2307 1 6 . 1 1 41 41 THR CB C 348 68.772 68.772 70.464 -1.692 18296 2308 1 6 . 1 1 41 41 THR H H 348 8.421 8.421 7.897 0.524 18296 2309 1 6 . 1 1 42 42 ALA N N 349 130.177 130.177 130.119 0.058 18296 2310 1 6 . 1 1 42 42 ALA HA H 349 4.967 4.967 5.348 -0.381 18296 2311 1 6 . 1 1 42 42 ALA C C 349 176.955 176.955 176.246 0.709 18296 2312 1 6 . 1 1 42 42 ALA CA C 349 49.997 49.997 50.617 -0.620 18296 2313 1 6 . 1 1 42 42 ALA CB C 349 23.467 23.467 21.144 2.323 18296 2314 1 6 . 1 1 42 42 ALA H H 349 8.856 8.856 9.091 -0.235 18296 2315 1 6 . 1 1 43 43 PHE N N 350 113.053 113.053 118.976 -5.923 18296 2316 1 6 . 1 1 43 43 PHE HA H 350 5.525 5.525 4.748 0.777 18296 2317 1 6 . 1 1 43 43 PHE C C 350 177.894 177.894 173.488 4.406 18296 2318 1 6 . 1 1 43 43 PHE CA C 350 53.625 53.625 56.164 -2.539 18296 2319 1 6 . 1 1 43 43 PHE CB C 350 39.459 39.459 40.898 -1.439 18296 2320 1 6 . 1 1 43 43 PHE H H 350 7.912 7.912 8.780 -0.868 18296 2321 1 6 . 1 1 44 44 HIS N N 351 118.497 118.497 119.612 -1.115 18296 2322 1 6 . 1 1 44 44 HIS HA H 351 4.892 4.892 4.956 -0.064 18296 2323 1 6 . 1 1 44 44 HIS C C 351 176.371 176.371 176.685 -0.314 18296 2324 1 6 . 1 1 44 44 HIS CA C 351 58.019 58.019 55.725 2.294 18296 2325 1 6 . 1 1 44 44 HIS CB C 351 31.716 31.716 30.448 1.268 18296 2326 1 6 . 1 1 44 44 HIS H H 351 9.335 9.335 8.304 1.031 18296 2327 1 6 . 1 1 45 45 VAL N N 352 124.407 124.407 122.039 2.368 18296 2328 1 6 . 1 1 45 45 VAL HA H 352 3.476 3.476 3.789 -0.313 18296 2329 1 6 . 1 1 45 45 VAL C C 352 175.305 175.305 178.019 -2.714 18296 2330 1 6 . 1 1 45 45 VAL CA C 352 67.359 67.359 67.116 0.243 18296 2331 1 6 . 1 1 45 45 VAL CB C 352 31.627 31.627 31.651 -0.024 18296 2332 1 6 . 1 1 45 45 VAL H H 352 8.654 8.654 8.524 0.130 18296 2333 1 6 . 1 1 46 46 THR N N 353 111.166 111.166 115.470 -4.304 18296 2334 1 6 . 1 1 46 46 THR HA H 353 3.997 3.997 4.086 -0.089 18296 2335 1 6 . 1 1 46 46 THR C C 353 175.010 175.010 176.520 -1.510 18296 2336 1 6 . 1 1 46 46 THR CA C 353 65.008 65.008 65.762 -0.754 18296 2337 1 6 . 1 1 46 46 THR CB C 353 67.830 67.830 68.756 -0.926 18296 2338 1 6 . 1 1 46 46 THR H H 353 8.370 8.370 8.253 0.117 18296 2339 1 6 . 1 1 47 47 CYS N N 354 120.975 120.975 119.311 1.664 18296 2340 1 6 . 1 1 47 47 CYS HA H 354 3.762 3.762 4.307 -0.545 18296 2341 1 6 . 1 1 47 47 CYS C C 354 175.912 175.912 177.122 -1.210 18296 2342 1 6 . 1 1 47 47 CYS CA C 354 63.372 63.372 62.482 0.890 18296 2343 1 6 . 1 1 47 47 CYS CB C 354 29.076 29.076 25.802 3.274 18296 2344 1 6 . 1 1 47 47 CYS H H 354 6.668 6.668 8.495 -1.827 18296 2345 1 6 . 1 1 48 48 ALA N N 355 123.247 123.247 122.878 0.369 18296 2346 1 6 . 1 1 48 48 ALA HA H 355 3.511 3.511 4.126 -0.615 18296 2347 1 6 . 1 1 48 48 ALA C C 355 174.031 174.031 179.508 -5.477 18296 2348 1 6 . 1 1 48 48 ALA CA C 355 55.045 55.045 54.996 0.049 18296 2349 1 6 . 1 1 48 48 ALA CB C 355 19.962 19.962 18.877 1.085 18296 2350 1 6 . 1 1 48 48 ALA H H 355 8.481 8.481 7.946 0.535 18296 2351 1 6 . 1 1 49 49 GLN N N 356 118.150 118.150 117.836 0.314 18296 2352 1 6 . 1 1 49 49 GLN HA H 356 4.003 4.003 4.016 -0.013 18296 2353 1 6 . 1 1 49 49 GLN C C 356 173.755 173.755 178.638 -4.883 18296 2354 1 6 . 1 1 49 49 GLN CA C 356 58.728 58.728 58.698 0.030 18296 2355 1 6 . 1 1 49 49 GLN CB C 356 28.196 28.196 28.802 -0.606 18296 2356 1 6 . 1 1 49 49 GLN H H 356 8.055 8.055 8.243 -0.188 18296 2357 1 6 . 1 1 50 50 LYS N N 357 120.248 120.248 117.784 2.464 18296 2358 1 6 . 1 1 50 50 LYS HA H 357 3.866 3.866 4.260 -0.394 18296 2359 1 6 . 1 1 50 50 LYS C C 357 175.624 175.624 177.881 -2.257 18296 2360 1 6 . 1 1 50 50 LYS CA C 357 58.989 58.989 57.275 1.714 18296 2361 1 6 . 1 1 50 50 LYS CB C 357 32.377 32.377 32.482 -0.105 18296 2362 1 6 . 1 1 50 50 LYS H H 357 7.628 7.628 8.007 -0.379 18296 2363 1 6 . 1 1 51 51 ALA N N 358 118.343 118.343 120.675 -2.332 18296 2364 1 6 . 1 1 51 51 ALA HA H 358 4.138 4.138 4.250 -0.112 18296 2365 1 6 . 1 1 51 51 ALA C C 358 176.132 176.132 178.171 -2.039 18296 2366 1 6 . 1 1 51 51 ALA CA C 358 52.263 52.263 53.469 -1.206 18296 2367 1 6 . 1 1 51 51 ALA CB C 358 19.690 19.690 19.877 -0.187 18296 2368 1 6 . 1 1 51 51 ALA H H 358 7.558 7.558 7.469 0.089 18296 2369 1 6 . 1 1 52 52 GLY N N 359 107.058 107.058 107.093 -0.035 18296 2370 1 6 . 1 1 52 52 GLY C C 359 178.221 178.221 173.387 4.834 18296 2371 1 6 . 1 1 52 52 GLY CA C 359 46.323 46.323 44.778 1.545 18296 2372 1 6 . 1 1 52 52 GLY H H 359 7.481 7.481 8.273 -0.792 18296 2373 1 6 . 1 1 53 53 LEU N N 360 118.335 118.335 116.280 2.055 18296 2374 1 6 . 1 1 53 53 LEU HA H 360 4.002 4.002 4.971 -0.969 18296 2375 1 6 . 1 1 53 53 LEU C C 360 176.917 176.917 176.057 0.860 18296 2376 1 6 . 1 1 53 53 LEU CA C 360 54.926 54.926 52.888 2.038 18296 2377 1 6 . 1 1 53 53 LEU CB C 360 39.949 39.949 43.493 -3.544 18296 2378 1 6 . 1 1 53 53 LEU H H 360 7.502 7.502 7.288 0.214 18296 2379 1 6 . 1 1 54 54 TYR N N 361 124.191 124.191 120.701 3.490 18296 2380 1 6 . 1 1 54 54 TYR HA H 361 4.024 4.024 4.493 -0.469 18296 2381 1 6 . 1 1 54 54 TYR C C 361 178.584 178.584 175.162 3.422 18296 2382 1 6 . 1 1 54 54 TYR CA C 361 59.385 59.385 59.206 0.179 18296 2383 1 6 . 1 1 54 54 TYR CB C 361 39.068 39.068 39.670 -0.603 18296 2384 1 6 . 1 1 54 54 TYR H H 361 9.307 9.307 8.737 0.570 18296 2385 1 6 . 1 1 55 55 MET N N 362 127.473 127.473 128.146 -0.673 18296 2386 1 6 . 1 1 55 55 MET HA H 362 4.953 4.953 4.595 0.358 18296 2387 1 6 . 1 1 55 55 MET C C 362 179.342 179.342 174.454 4.888 18296 2388 1 6 . 1 1 55 55 MET CA C 362 54.918 54.918 54.102 0.816 18296 2389 1 6 . 1 1 55 55 MET CB C 362 35.857 35.857 34.246 1.611 18296 2390 1 6 . 1 1 55 55 MET H H 362 7.575 7.575 7.866 -0.291 18296 2391 1 6 . 1 1 56 56 LYS N N 363 124.429 124.429 126.989 -2.560 18296 2392 1 6 . 1 1 56 56 LYS HA H 363 4.339 4.339 4.378 -0.039 18296 2393 1 6 . 1 1 56 56 LYS C C 363 178.541 178.541 175.004 3.537 18296 2394 1 6 . 1 1 56 56 LYS CA C 363 54.939 54.939 56.776 -1.837 18296 2395 1 6 . 1 1 56 56 LYS CB C 363 35.977 35.977 33.953 2.024 18296 2396 1 6 . 1 1 56 56 LYS H H 363 8.575 8.575 7.907 0.668 18296 2397 1 6 . 1 1 57 57 MET N N 364 123.350 123.350 120.818 2.532 18296 2398 1 6 . 1 1 57 57 MET HA H 364 4.801 4.801 4.689 0.112 18296 2399 1 6 . 1 1 57 57 MET C C 364 178.016 178.016 174.446 3.570 18296 2400 1 6 . 1 1 57 57 MET CA C 364 54.111 54.111 55.642 -1.531 18296 2401 1 6 . 1 1 57 57 MET H H 364 8.484 8.484 8.530 -0.046 18296 2402 1 6 . 1 1 58 58 GLU N N 365 121.319 121.319 122.676 -1.357 18296 2403 1 6 . 1 1 58 58 GLU H H 365 8.193 8.193 8.756 -0.563 18296 2404 1 6 . 1 1 59 59 PRO HA H 366 4.665 4.665 4.457 0.208 18296 2405 1 6 . 1 1 59 59 PRO C C 366 176.742 176.742 176.162 0.580 18296 2406 1 6 . 1 1 59 59 PRO CA C 366 62.524 62.524 62.337 0.187 18296 2407 1 6 . 1 1 59 59 PRO CB C 366 32.125 32.125 31.987 0.138 18296 2408 1 6 . 1 1 60 60 VAL N N 367 122.754 122.754 118.423 4.331 18296 2409 1 6 . 1 1 60 60 VAL HA H 367 4.105 4.105 4.359 -0.254 18296 2410 1 6 . 1 1 60 60 VAL C C 367 178.435 178.435 174.626 3.809 18296 2411 1 6 . 1 1 60 60 VAL CA C 367 61.529 61.529 60.478 1.051 18296 2412 1 6 . 1 1 60 60 VAL CB C 367 34.057 34.057 35.506 -1.449 18296 2413 1 6 . 1 1 60 60 VAL H H 367 8.509 8.509 8.465 0.044 18296 2414 1 6 . 1 1 61 61 LYS N N 368 126.381 126.381 125.369 1.012 18296 2415 1 6 . 1 1 61 61 LYS HA H 368 4.180 4.180 4.268 -0.088 18296 2416 1 6 . 1 1 61 61 LYS C C 368 177.499 177.499 176.399 1.100 18296 2417 1 6 . 1 1 61 61 LYS CA C 368 56.047 56.047 56.099 -0.051 18296 2418 1 6 . 1 1 61 61 LYS CB C 368 33.313 33.313 33.892 -0.579 18296 2419 1 6 . 1 1 61 61 LYS H H 368 8.379 8.379 8.158 0.221 18296 2420 1 6 . 1 1 62 62 GLU N N 369 123.927 123.927 114.184 9.743 18296 2421 1 6 . 1 1 62 62 GLU HA H 369 4.246 4.246 4.059 0.187 18296 2422 1 6 . 1 1 62 62 GLU C C 369 177.861 177.861 175.153 2.708 18296 2423 1 6 . 1 1 62 62 GLU CA C 369 55.596 55.596 57.651 -2.055 18296 2424 1 6 . 1 1 62 62 GLU CB C 369 31.289 31.289 29.481 1.808 18296 2425 1 6 . 1 1 62 62 GLU H H 369 8.355 8.355 8.338 0.017 18296 2426 1 6 . 1 1 63 63 LEU N N 370 124.406 124.406 119.378 5.028 18296 2427 1 6 . 1 1 63 63 LEU HA H 370 4.356 4.356 4.616 -0.260 18296 2428 1 6 . 1 1 63 63 LEU C C 370 176.026 176.026 176.188 -0.162 18296 2429 1 6 . 1 1 63 63 LEU CA C 370 55.223 55.223 55.761 -0.538 18296 2430 1 6 . 1 1 63 63 LEU CB C 370 42.061 42.061 44.614 -2.553 18296 2431 1 6 . 1 1 63 63 LEU H H 370 8.419 8.419 8.847 -0.428 18296 2432 1 6 . 1 1 64 64 THR N N 371 114.722 114.722 112.914 1.808 18296 2433 1 6 . 1 1 64 64 THR HA H 371 4.306 4.306 4.647 -0.341 18296 2434 1 6 . 1 1 64 64 THR C C 371 178.158 178.158 175.151 3.007 18296 2435 1 6 . 1 1 64 64 THR CA C 371 61.196 61.196 61.237 -0.041 18296 2436 1 6 . 1 1 64 64 THR CB C 371 70.416 70.416 71.162 -0.745 18296 2437 1 6 . 1 1 64 64 THR H H 371 7.966 7.966 7.434 0.531 18296 2438 1 6 . 1 1 65 65 GLY N N 372 111.711 111.711 109.077 2.634 18296 2439 1 6 . 1 1 65 65 GLY C C 372 178.512 178.512 174.496 4.016 18296 2440 1 6 . 1 1 65 65 GLY CA C 372 46.227 46.227 45.716 0.511 18296 2441 1 6 . 1 1 65 65 GLY H H 372 8.565 8.565 8.389 0.176 18296 2442 1 6 . 1 1 66 66 GLY N N 373 108.771 108.771 109.088 -0.317 18296 2443 1 6 . 1 1 66 66 GLY C C 373 178.999 178.999 174.286 4.713 18296 2444 1 6 . 1 1 66 66 GLY CA C 373 45.287 45.287 44.536 0.751 18296 2445 1 6 . 1 1 66 66 GLY H H 373 8.227 8.227 7.583 0.644 18296 2446 1 6 . 1 1 67 67 GLY N N 374 108.901 108.901 113.973 -5.072 18296 2447 1 6 . 1 1 67 67 GLY C C 374 179.721 179.721 172.902 6.819 18296 2448 1 6 . 1 1 67 67 GLY CA C 374 44.987 44.987 44.615 0.372 18296 2449 1 6 . 1 1 67 67 GLY H H 374 7.876 7.876 8.220 -0.344 18296 2450 1 6 . 1 1 68 68 THR N N 375 114.505 114.505 114.045 0.460 18296 2451 1 6 . 1 1 68 68 THR HA H 375 4.450 4.450 4.518 -0.068 18296 2452 1 6 . 1 1 68 68 THR C C 375 178.997 178.997 172.728 6.269 18296 2453 1 6 . 1 1 68 68 THR CA C 375 61.900 61.900 61.114 0.786 18296 2454 1 6 . 1 1 68 68 THR CB C 375 70.047 70.047 70.275 -0.228 18296 2455 1 6 . 1 1 68 68 THR H H 375 8.112 8.112 8.057 0.055 18296 2456 1 6 . 1 1 69 69 THR N N 376 118.054 118.054 114.751 3.303 18296 2457 1 6 . 1 1 69 69 THR HA H 376 4.302 4.302 4.721 -0.419 18296 2458 1 6 . 1 1 69 69 THR C C 376 180.403 180.403 173.151 7.252 18296 2459 1 6 . 1 1 69 69 THR CA C 376 61.114 61.114 59.575 1.539 18296 2460 1 6 . 1 1 69 69 THR CB C 376 70.422 70.422 70.494 -0.072 18296 2461 1 6 . 1 1 69 69 THR H H 376 8.259 8.259 8.081 0.178 18296 2462 1 6 . 1 1 70 70 PHE N N 377 122.009 122.009 119.441 2.568 18296 2463 1 6 . 1 1 70 70 PHE HA H 377 4.910 4.910 4.760 0.150 18296 2464 1 6 . 1 1 70 70 PHE C C 377 177.972 177.972 174.649 3.323 18296 2465 1 6 . 1 1 70 70 PHE CA C 377 57.227 57.227 58.279 -1.052 18296 2466 1 6 . 1 1 70 70 PHE CB C 377 40.873 40.873 41.724 -0.851 18296 2467 1 6 . 1 1 70 70 PHE H H 377 8.351 8.351 8.297 0.054 18296 2468 1 6 . 1 1 71 71 SER N N 378 117.853 117.853 116.399 1.454 18296 2469 1 6 . 1 1 71 71 SER HA H 378 4.493 4.493 4.712 -0.219 18296 2470 1 6 . 1 1 71 71 SER C C 378 180.063 180.063 172.134 7.929 18296 2471 1 6 . 1 1 71 71 SER CA C 378 57.276 57.276 57.584 -0.308 18296 2472 1 6 . 1 1 71 71 SER CB C 378 64.612 64.612 65.527 -0.915 18296 2473 1 6 . 1 1 71 71 SER H H 378 8.519 8.519 7.802 0.717 18296 2474 1 6 . 1 1 72 72 VAL N N 379 120.162 120.162 120.522 -0.360 18296 2475 1 6 . 1 1 72 72 VAL HA H 379 4.441 4.441 4.323 0.118 18296 2476 1 6 . 1 1 72 72 VAL C C 379 178.192 178.192 174.752 3.440 18296 2477 1 6 . 1 1 72 72 VAL CA C 379 61.369 61.369 61.455 -0.086 18296 2478 1 6 . 1 1 72 72 VAL CB C 379 33.944 33.944 35.433 -1.489 18296 2479 1 6 . 1 1 72 72 VAL H H 379 8.277 8.277 8.406 -0.129 18296 2480 1 6 . 1 1 73 73 ARG N N 380 126.538 126.538 124.256 2.282 18296 2481 1 6 . 1 1 73 73 ARG HA H 380 4.430 4.430 4.624 -0.194 18296 2482 1 6 . 1 1 73 73 ARG C C 380 177.524 177.524 174.830 2.694 18296 2483 1 6 . 1 1 73 73 ARG CA C 380 54.744 54.744 54.788 -0.045 18296 2484 1 6 . 1 1 73 73 ARG CB C 380 32.635 32.635 32.075 0.560 18296 2485 1 6 . 1 1 73 73 ARG H H 380 8.727 8.727 8.265 0.462 18296 2486 1 6 . 1 1 74 74 LYS N N 381 126.485 126.485 125.430 1.055 18296 2487 1 6 . 1 1 74 74 LYS HA H 381 4.613 4.613 4.487 0.126 18296 2488 1 6 . 1 1 74 74 LYS C C 381 178.050 178.050 175.996 2.054 18296 2489 1 6 . 1 1 74 74 LYS CA C 381 56.325 56.325 55.994 0.331 18296 2490 1 6 . 1 1 74 74 LYS CB C 381 33.149 33.149 33.849 -0.700 18296 2491 1 6 . 1 1 74 74 LYS H H 381 8.636 8.636 8.552 0.084 18296 2492 1 6 . 1 1 75 75 THR N N 382 120.767 120.767 120.427 0.340 18296 2493 1 6 . 1 1 75 75 THR HA H 382 3.791 3.791 4.303 -0.512 18296 2494 1 6 . 1 1 75 75 THR C C 382 181.578 181.578 172.989 8.589 18296 2495 1 6 . 1 1 75 75 THR CA C 382 61.703 61.703 61.672 0.031 18296 2496 1 6 . 1 1 75 75 THR CB C 382 70.771 70.771 69.109 1.662 18296 2497 1 6 . 1 1 75 75 THR H H 382 8.544 8.544 7.802 0.742 18296 2498 1 6 . 1 1 76 76 ALA N N 383 126.390 126.390 126.885 -0.495 18296 2499 1 6 . 1 1 76 76 ALA HA H 383 5.358 5.358 4.459 0.899 18296 2500 1 6 . 1 1 76 76 ALA C C 383 178.931 178.931 175.827 3.104 18296 2501 1 6 . 1 1 76 76 ALA CA C 383 50.669 50.669 51.240 -0.571 18296 2502 1 6 . 1 1 76 76 ALA CB C 383 24.682 24.682 20.581 4.101 18296 2503 1 6 . 1 1 76 76 ALA H H 383 7.981 7.981 7.922 0.059 18296 2504 1 6 . 1 1 77 77 TYR N N 384 116.182 116.182 119.983 -3.801 18296 2505 1 6 . 1 1 77 77 TYR HA H 384 5.920 5.920 4.847 1.073 18296 2506 1 6 . 1 1 77 77 TYR C C 384 177.384 177.384 176.372 1.012 18296 2507 1 6 . 1 1 77 77 TYR CA C 384 56.234 56.234 56.926 -0.692 18296 2508 1 6 . 1 1 77 77 TYR CB C 384 43.201 43.201 41.142 2.059 18296 2509 1 6 . 1 1 77 77 TYR H H 384 7.899 7.899 8.296 -0.397 18296 2510 1 6 . 1 1 78 78 CYS N N 385 121.146 121.146 118.711 2.435 18296 2511 1 6 . 1 1 78 78 CYS HA H 385 4.312 4.312 4.179 0.133 18296 2512 1 6 . 1 1 78 78 CYS C C 385 178.543 178.543 176.222 2.321 18296 2513 1 6 . 1 1 78 78 CYS CA C 385 58.293 58.293 58.178 0.115 18296 2514 1 6 . 1 1 78 78 CYS CB C 385 29.815 29.815 29.194 0.622 18296 2515 1 6 . 1 1 78 78 CYS H H 385 9.855 9.855 8.551 1.304 18296 2516 1 6 . 1 1 79 79 ASP N N 386 115.334 115.334 120.013 -4.679 18296 2517 1 6 . 1 1 79 79 ASP HA H 386 3.946 3.946 4.575 -0.629 18296 2518 1 6 . 1 1 79 79 ASP C C 386 175.510 175.510 176.637 -1.127 18296 2519 1 6 . 1 1 79 79 ASP CA C 386 57.118 57.118 56.293 0.825 18296 2520 1 6 . 1 1 79 79 ASP CB C 386 40.495 40.495 41.231 -0.736 18296 2521 1 6 . 1 1 79 79 ASP H H 386 7.657 7.657 8.373 -0.716 18296 2522 1 6 . 1 1 80 80 VAL N N 387 119.872 119.872 112.567 7.305 18296 2523 1 6 . 1 1 80 80 VAL HA H 387 3.579 3.579 4.118 -0.539 18296 2524 1 6 . 1 1 80 80 VAL C C 387 176.437 176.437 175.723 0.714 18296 2525 1 6 . 1 1 80 80 VAL CA C 387 64.272 64.272 62.011 2.261 18296 2526 1 6 . 1 1 80 80 VAL CB C 387 31.798 31.798 30.453 1.345 18296 2527 1 6 . 1 1 80 80 VAL H H 387 7.601 7.601 7.387 0.214 18296 2528 1 6 . 1 1 81 81 HIS N N 388 119.244 119.244 119.901 -0.657 18296 2529 1 6 . 1 1 81 81 HIS HA H 388 4.632 4.632 4.479 0.153 18296 2530 1 6 . 1 1 81 81 HIS C C 388 180.644 180.644 176.580 4.064 18296 2531 1 6 . 1 1 81 81 HIS CA C 388 56.212 56.212 59.400 -3.188 18296 2532 1 6 . 1 1 81 81 HIS CB C 388 31.774 31.774 31.577 0.197 18296 2533 1 6 . 1 1 81 81 HIS H H 388 7.385 7.385 7.596 -0.211 18296 2534 1 6 . 1 1 82 82 THR N N 389 117.899 117.899 115.109 2.790 18296 2535 1 6 . 1 1 82 82 THR HA H 389 3.733 3.733 4.259 -0.526 18296 2536 1 6 . 1 1 82 82 THR C C 389 181.155 181.155 174.139 7.016 18296 2537 1 6 . 1 1 82 82 THR CA C 389 61.844 61.844 65.814 -3.970 18296 2538 1 6 . 1 1 82 82 THR CB C 389 70.285 70.285 66.492 3.793 18296 2539 1 6 . 1 1 82 82 THR H H 389 7.133 7.133 8.079 -0.946 18296 2540 1 6 . 1 1 83 83 PRO HA H 390 4.192 4.192 4.412 -0.220 18296 2541 1 6 . 1 1 83 83 PRO CA C 390 61.509 61.509 64.977 -3.468 18296 2542 1 6 . 1 1 83 83 PRO CB C 390 30.773 30.773 30.525 0.248 18296 2543 1 6 . 1 1 84 84 PRO HA H 391 4.220 4.220 4.297 -0.077 18296 2544 1 6 . 1 1 84 84 PRO C C 391 175.949 175.949 177.715 -1.766 18296 2545 1 6 . 1 1 84 84 PRO CA C 391 63.032 63.032 63.278 -0.246 18296 2546 1 6 . 1 1 84 84 PRO CB C 391 31.983 31.983 32.016 -0.032 18296 2547 1 6 . 1 1 85 85 GLY N N 392 109.626 109.626 108.663 0.963 18296 2548 1 6 . 1 1 85 85 GLY C C 392 179.223 179.223 174.495 4.728 18296 2549 1 6 . 1 1 85 85 GLY CA C 392 45.359 45.359 46.060 -0.701 18296 2550 1 6 . 1 1 85 85 GLY H H 392 8.367 8.367 7.867 0.500 18296 2551 1 6 . 1 1 86 86 SER N N 393 115.675 115.675 115.376 0.299 18296 2552 1 6 . 1 1 86 86 SER HA H 393 4.354 4.354 4.610 -0.256 18296 2553 1 6 . 1 1 86 86 SER C C 393 179.569 179.569 174.805 4.764 18296 2554 1 6 . 1 1 86 86 SER CA C 393 58.521 58.521 57.948 0.573 18296 2555 1 6 . 1 1 86 86 SER CB C 393 63.913 63.913 64.183 -0.270 18296 2556 1 6 . 1 1 86 86 SER H H 393 8.022 8.022 8.499 -0.477 18296 2557 1 7 . 1 1 10 10 ASN N N 317 120.101 120.101 122.852 -2.751 18296 2558 1 7 . 1 1 10 10 ASN HA H 317 4.501 4.501 5.062 -0.561 18296 2559 1 7 . 1 1 10 10 ASN C C 317 179.015 179.015 173.832 5.183 18296 2560 1 7 . 1 1 10 10 ASN CA C 317 53.191 53.191 53.557 -0.366 18296 2561 1 7 . 1 1 10 10 ASN CB C 317 38.650 38.650 39.744 -1.094 18296 2562 1 7 . 1 1 10 10 ASN H H 317 8.415 8.415 8.608 -0.193 18296 2563 1 7 . 1 1 11 11 ILE N N 318 122.869 122.869 120.111 2.758 18296 2564 1 7 . 1 1 11 11 ILE HA H 318 4.250 4.250 4.541 -0.291 18296 2565 1 7 . 1 1 11 11 ILE C C 318 179.506 179.506 174.572 4.934 18296 2566 1 7 . 1 1 11 11 ILE CA C 318 58.332 58.332 58.364 -0.032 18296 2567 1 7 . 1 1 11 11 ILE CB C 318 38.713 38.713 38.435 0.278 18296 2568 1 7 . 1 1 11 11 ILE H H 318 7.924 7.924 8.148 -0.224 18296 2569 1 7 . 1 1 12 12 PRO HA H 319 4.359 4.359 4.191 0.168 18296 2570 1 7 . 1 1 12 12 PRO CA C 319 61.487 61.487 65.531 -4.044 18296 2571 1 7 . 1 1 12 12 PRO CB C 319 30.960 30.960 29.535 1.425 18296 2572 1 7 . 1 1 13 13 PRO HA H 320 3.968 3.968 4.383 -0.415 18296 2573 1 7 . 1 1 13 13 PRO C C 320 176.730 176.730 175.799 0.931 18296 2574 1 7 . 1 1 13 13 PRO CA C 320 62.874 62.874 62.330 0.544 18296 2575 1 7 . 1 1 13 13 PRO CB C 320 31.948 31.948 30.466 1.482 18296 2576 1 7 . 1 1 14 14 ALA N N 321 123.469 123.469 118.867 4.602 18296 2577 1 7 . 1 1 14 14 ALA HA H 321 3.952 3.952 4.461 -0.509 18296 2578 1 7 . 1 1 14 14 ALA C C 321 175.208 175.208 176.972 -1.764 18296 2579 1 7 . 1 1 14 14 ALA CA C 321 52.876 52.876 52.392 0.485 18296 2580 1 7 . 1 1 14 14 ALA CB C 321 18.896 18.896 18.963 -0.067 18296 2581 1 7 . 1 1 14 14 ALA H H 321 8.108 8.108 7.306 0.802 18296 2582 1 7 . 1 1 15 15 ARG N N 322 118.725 118.725 119.586 -0.861 18296 2583 1 7 . 1 1 15 15 ARG HA H 322 3.943 3.943 4.127 -0.184 18296 2584 1 7 . 1 1 15 15 ARG C C 322 176.870 176.870 176.702 0.168 18296 2585 1 7 . 1 1 15 15 ARG CA C 322 56.737 56.737 57.240 -0.503 18296 2586 1 7 . 1 1 15 15 ARG CB C 322 30.230 30.230 30.706 -0.476 18296 2587 1 7 . 1 1 15 15 ARG H H 322 8.077 8.077 7.471 0.606 18296 2588 1 7 . 1 1 16 16 TRP N N 323 120.113 120.113 118.274 1.839 18296 2589 1 7 . 1 1 16 16 TRP HA H 323 4.471 4.471 4.626 -0.155 18296 2590 1 7 . 1 1 16 16 TRP C C 323 177.322 177.322 175.733 1.589 18296 2591 1 7 . 1 1 16 16 TRP CA C 323 57.143 57.143 55.306 1.837 18296 2592 1 7 . 1 1 16 16 TRP CB C 323 29.192 29.192 26.519 2.673 18296 2593 1 7 . 1 1 16 16 TRP H H 323 7.634 7.634 7.407 0.227 18296 2594 1 7 . 1 1 17 17 LYS N N 324 121.400 121.400 122.293 -0.893 18296 2595 1 7 . 1 1 17 17 LYS HA H 324 3.951 3.951 4.549 -0.598 18296 2596 1 7 . 1 1 17 17 LYS C C 324 179.457 179.457 175.503 3.954 18296 2597 1 7 . 1 1 17 17 LYS CA C 324 56.502 56.502 55.988 0.514 18296 2598 1 7 . 1 1 17 17 LYS CB C 324 32.867 32.867 32.915 -0.048 18296 2599 1 7 . 1 1 17 17 LYS H H 324 7.735 7.735 8.434 -0.699 18296 2600 1 7 . 1 1 18 18 LEU N N 325 121.064 121.064 121.154 -0.090 18296 2601 1 7 . 1 1 18 18 LEU HA H 325 4.141 4.141 4.637 -0.496 18296 2602 1 7 . 1 1 18 18 LEU C C 325 176.781 176.781 176.896 -0.115 18296 2603 1 7 . 1 1 18 18 LEU CA C 325 54.574 54.574 54.132 0.442 18296 2604 1 7 . 1 1 18 18 LEU CB C 325 42.252 42.252 42.913 -0.662 18296 2605 1 7 . 1 1 18 18 LEU H H 325 7.708 7.708 7.792 -0.084 18296 2606 1 7 . 1 1 19 19 THR N N 326 117.252 117.252 112.919 4.333 18296 2607 1 7 . 1 1 19 19 THR HA H 326 3.935 3.935 4.562 -0.627 18296 2608 1 7 . 1 1 19 19 THR C C 326 180.854 180.854 173.323 7.531 18296 2609 1 7 . 1 1 19 19 THR CA C 326 61.977 61.977 61.071 0.906 18296 2610 1 7 . 1 1 19 19 THR CB C 326 70.166 70.166 70.751 -0.585 18296 2611 1 7 . 1 1 19 19 THR H H 326 7.915 7.915 8.041 -0.126 18296 2612 1 7 . 1 1 20 20 CYS N N 327 127.254 127.254 123.684 3.570 18296 2613 1 7 . 1 1 20 20 CYS HA H 327 4.324 4.324 5.098 -0.774 18296 2614 1 7 . 1 1 20 20 CYS C C 327 175.898 175.898 176.991 -1.093 18296 2615 1 7 . 1 1 20 20 CYS CA C 327 57.928 57.928 56.974 0.955 18296 2616 1 7 . 1 1 20 20 CYS CB C 327 31.298 31.298 28.020 3.278 18296 2617 1 7 . 1 1 20 20 CYS H H 327 8.055 8.055 8.608 -0.553 18296 2618 1 7 . 1 1 21 21 TYR N N 328 129.752 129.752 126.870 2.882 18296 2619 1 7 . 1 1 21 21 TYR HA H 328 4.488 4.488 4.506 -0.018 18296 2620 1 7 . 1 1 21 21 TYR C C 328 178.625 178.625 176.231 2.394 18296 2621 1 7 . 1 1 21 21 TYR CA C 328 58.951 58.951 59.699 -0.748 18296 2622 1 7 . 1 1 21 21 TYR CB C 328 37.712 37.712 38.131 -0.419 18296 2623 1 7 . 1 1 21 21 TYR H H 328 9.082 9.082 8.730 0.352 18296 2624 1 7 . 1 1 22 22 LEU N N 329 124.057 124.057 119.477 4.580 18296 2625 1 7 . 1 1 22 22 LEU HA H 329 3.749 3.749 4.324 -0.575 18296 2626 1 7 . 1 1 22 22 LEU C C 329 176.268 176.268 176.646 -0.378 18296 2627 1 7 . 1 1 22 22 LEU CA C 329 56.514 56.514 54.475 2.039 18296 2628 1 7 . 1 1 22 22 LEU CB C 329 42.975 42.975 41.926 1.048 18296 2629 1 7 . 1 1 22 22 LEU H H 329 8.140 8.140 7.470 0.670 18296 2630 1 7 . 1 1 23 23 CYS N N 330 117.734 117.734 116.807 0.927 18296 2631 1 7 . 1 1 23 23 CYS HA H 330 4.741 4.741 4.806 -0.064 18296 2632 1 7 . 1 1 23 23 CYS C C 330 177.769 177.769 172.947 4.822 18296 2633 1 7 . 1 1 23 23 CYS CA C 330 58.459 58.459 57.564 0.895 18296 2634 1 7 . 1 1 23 23 CYS CB C 330 30.918 30.918 31.460 -0.542 18296 2635 1 7 . 1 1 23 23 CYS H H 330 7.971 7.971 7.251 0.720 18296 2636 1 7 . 1 1 24 24 LYS N N 331 118.437 118.437 120.458 -2.021 18296 2637 1 7 . 1 1 24 24 LYS HA H 331 3.980 3.980 4.458 -0.478 18296 2638 1 7 . 1 1 24 24 LYS C C 331 178.178 178.178 175.519 2.659 18296 2639 1 7 . 1 1 24 24 LYS CA C 331 57.520 57.520 56.480 1.040 18296 2640 1 7 . 1 1 24 24 LYS CB C 331 29.278 29.278 32.602 -3.324 18296 2641 1 7 . 1 1 24 24 LYS H H 331 7.842 7.842 8.393 -0.551 18296 2642 1 7 . 1 1 25 25 GLN N N 332 118.445 118.445 118.945 -0.500 18296 2643 1 7 . 1 1 25 25 GLN HA H 332 4.574 4.574 4.619 -0.045 18296 2644 1 7 . 1 1 25 25 GLN C C 332 177.619 177.619 174.835 2.784 18296 2645 1 7 . 1 1 25 25 GLN CA C 332 54.362 54.362 54.485 -0.123 18296 2646 1 7 . 1 1 25 25 GLN CB C 332 31.843 31.843 28.805 3.038 18296 2647 1 7 . 1 1 25 25 GLN H H 332 8.306 8.306 8.124 0.182 18296 2648 1 7 . 1 1 26 26 LYS N N 333 122.851 122.851 124.908 -2.057 18296 2649 1 7 . 1 1 26 26 LYS HA H 333 4.222 4.222 4.214 0.008 18296 2650 1 7 . 1 1 26 26 LYS C C 333 175.456 175.456 177.141 -1.685 18296 2651 1 7 . 1 1 26 26 LYS CA C 333 57.729 57.729 56.651 1.078 18296 2652 1 7 . 1 1 26 26 LYS CB C 333 32.925 32.925 31.355 1.570 18296 2653 1 7 . 1 1 26 26 LYS H H 333 8.545 8.545 8.493 0.052 18296 2654 1 7 . 1 1 27 27 GLY N N 334 107.216 107.216 113.224 -6.008 18296 2655 1 7 . 1 1 27 27 GLY C C 334 180.017 180.017 173.034 6.983 18296 2656 1 7 . 1 1 27 27 GLY CA C 334 45.559 45.559 45.248 0.311 18296 2657 1 7 . 1 1 27 27 GLY H H 334 8.348 8.348 8.206 0.142 18296 2658 1 7 . 1 1 28 28 VAL N N 335 117.437 117.437 123.154 -5.717 18296 2659 1 7 . 1 1 28 28 VAL HA H 335 4.133 4.133 4.270 -0.137 18296 2660 1 7 . 1 1 28 28 VAL C C 335 177.439 177.439 174.992 2.447 18296 2661 1 7 . 1 1 28 28 VAL CA C 335 61.502 61.502 63.309 -1.807 18296 2662 1 7 . 1 1 28 28 VAL CB C 335 33.563 33.563 33.450 0.113 18296 2663 1 7 . 1 1 28 28 VAL H H 335 7.867 7.867 8.362 -0.495 18296 2664 1 7 . 1 1 29 29 GLY N N 336 110.723 110.723 110.116 0.607 18296 2665 1 7 . 1 1 29 29 GLY C C 336 180.088 180.088 173.354 6.734 18296 2666 1 7 . 1 1 29 29 GLY CA C 336 44.344 44.344 46.097 -1.753 18296 2667 1 7 . 1 1 29 29 GLY H H 336 8.186 8.186 8.600 -0.414 18296 2668 1 7 . 1 1 30 30 ALA N N 337 122.643 122.643 125.598 -2.955 18296 2669 1 7 . 1 1 30 30 ALA HA H 337 4.193 4.193 4.717 -0.524 18296 2670 1 7 . 1 1 30 30 ALA C C 337 175.274 175.274 176.116 -0.842 18296 2671 1 7 . 1 1 30 30 ALA CA C 337 52.904 52.904 50.975 1.929 18296 2672 1 7 . 1 1 30 30 ALA CB C 337 19.677 19.677 20.319 -0.642 18296 2673 1 7 . 1 1 30 30 ALA H H 337 8.269 8.269 7.992 0.277 18296 2674 1 7 . 1 1 31 31 SER N N 338 117.644 117.644 116.711 0.933 18296 2675 1 7 . 1 1 31 31 SER HA H 338 4.775 4.775 4.834 -0.059 18296 2676 1 7 . 1 1 31 31 SER C C 338 180.923 180.923 173.067 7.856 18296 2677 1 7 . 1 1 31 31 SER CA C 338 57.406 57.406 57.376 0.030 18296 2678 1 7 . 1 1 31 31 SER CB C 338 65.388 65.388 65.389 -0.001 18296 2679 1 7 . 1 1 31 31 SER H H 338 8.415 8.415 8.413 0.002 18296 2680 1 7 . 1 1 32 32 ILE N N 339 121.240 121.240 123.036 -1.796 18296 2681 1 7 . 1 1 32 32 ILE HA H 339 4.123 4.123 4.518 -0.395 18296 2682 1 7 . 1 1 32 32 ILE C C 339 181.302 181.302 173.533 7.769 18296 2683 1 7 . 1 1 32 32 ILE CA C 339 59.768 59.768 59.302 0.466 18296 2684 1 7 . 1 1 32 32 ILE CB C 339 41.252 41.252 41.865 -0.613 18296 2685 1 7 . 1 1 32 32 ILE H H 339 8.522 8.522 8.987 -0.465 18296 2686 1 7 . 1 1 33 33 GLN N N 340 120.384 120.384 125.830 -5.446 18296 2687 1 7 . 1 1 33 33 GLN HA H 340 4.335 4.335 5.120 -0.785 18296 2688 1 7 . 1 1 33 33 GLN C C 340 179.377 179.377 174.860 4.517 18296 2689 1 7 . 1 1 33 33 GLN CA C 340 53.739 53.739 54.221 -0.482 18296 2690 1 7 . 1 1 33 33 GLN CB C 340 32.179 32.179 31.217 0.962 18296 2691 1 7 . 1 1 33 33 GLN H H 340 7.720 7.720 8.284 -0.564 18296 2692 1 7 . 1 1 34 34 CYS N N 341 125.463 125.463 127.465 -2.002 18296 2693 1 7 . 1 1 34 34 CYS HA H 341 4.036 4.036 4.896 -0.860 18296 2694 1 7 . 1 1 34 34 CYS C C 341 178.269 178.269 176.370 1.899 18296 2695 1 7 . 1 1 34 34 CYS CA C 341 60.992 60.992 59.171 1.821 18296 2696 1 7 . 1 1 34 34 CYS CB C 341 32.346 32.346 27.737 4.609 18296 2697 1 7 . 1 1 34 34 CYS H H 341 8.292 8.292 8.803 -0.511 18296 2698 1 7 . 1 1 35 35 HIS N N 342 126.611 126.611 128.659 -2.048 18296 2699 1 7 . 1 1 35 35 HIS HA H 342 4.128 4.128 4.341 -0.213 18296 2700 1 7 . 1 1 35 35 HIS CA C 342 57.556 57.556 58.346 -0.790 18296 2701 1 7 . 1 1 35 35 HIS CB C 342 29.945 29.945 31.282 -1.337 18296 2702 1 7 . 1 1 35 35 HIS H H 342 8.722 8.722 8.281 0.441 18296 2703 1 7 . 1 1 36 36 LYS N N 343 124.049 124.049 118.801 5.248 18296 2704 1 7 . 1 1 36 36 LYS HA H 343 3.940 3.940 4.004 -0.064 18296 2705 1 7 . 1 1 36 36 LYS C C 343 176.701 176.701 176.638 0.063 18296 2706 1 7 . 1 1 36 36 LYS CA C 343 56.155 56.155 56.490 -0.335 18296 2707 1 7 . 1 1 36 36 LYS CB C 343 33.033 33.033 31.284 1.749 18296 2708 1 7 . 1 1 36 36 LYS H H 343 8.567 8.567 8.256 0.311 18296 2709 1 7 . 1 1 37 37 ALA N N 344 130.751 130.751 127.205 3.546 18296 2710 1 7 . 1 1 37 37 ALA HA H 344 3.733 3.733 3.112 0.621 18296 2711 1 7 . 1 1 37 37 ALA C C 344 175.302 175.302 178.226 -2.924 18296 2712 1 7 . 1 1 37 37 ALA CA C 344 53.917 53.917 54.063 -0.146 18296 2713 1 7 . 1 1 37 37 ALA CB C 344 18.206 18.206 18.306 -0.100 18296 2714 1 7 . 1 1 37 37 ALA H H 344 8.363 8.363 8.555 -0.192 18296 2715 1 7 . 1 1 38 38 ASN N N 345 114.094 114.094 115.937 -1.843 18296 2716 1 7 . 1 1 38 38 ASN HA H 345 3.885 3.885 4.592 -0.707 18296 2717 1 7 . 1 1 38 38 ASN C C 345 181.195 181.195 176.440 4.755 18296 2718 1 7 . 1 1 38 38 ASN CA C 345 53.606 53.606 55.058 -1.452 18296 2719 1 7 . 1 1 38 38 ASN CB C 345 37.443 37.443 38.706 -1.263 18296 2720 1 7 . 1 1 38 38 ASN H H 345 8.292 8.292 8.489 -0.197 18296 2721 1 7 . 1 1 39 39 CYS N N 346 121.417 121.417 118.192 3.225 18296 2722 1 7 . 1 1 39 39 CYS C C 346 178.723 178.723 175.306 3.417 18296 2723 1 7 . 1 1 39 39 CYS H H 346 7.283 7.283 7.784 -0.501 18296 2724 1 7 . 1 1 40 40 TYR HA H 347 4.212 4.212 4.242 -0.030 18296 2725 1 7 . 1 1 40 40 TYR C C 347 178.156 178.156 174.520 3.636 18296 2726 1 7 . 1 1 40 40 TYR CA C 347 56.478 56.478 59.184 -2.706 18296 2727 1 7 . 1 1 40 40 TYR CB C 347 37.446 37.446 35.770 1.677 18296 2728 1 7 . 1 1 40 40 TYR H H 347 7.923 7.923 8.115 -0.192 18296 2729 1 7 . 1 1 41 41 THR N N 348 122.674 122.674 115.411 7.263 18296 2730 1 7 . 1 1 41 41 THR HA H 348 3.806 3.806 4.729 -0.923 18296 2731 1 7 . 1 1 41 41 THR C C 348 182.343 182.343 173.349 8.994 18296 2732 1 7 . 1 1 41 41 THR CA C 348 64.932 64.932 61.709 3.223 18296 2733 1 7 . 1 1 41 41 THR CB C 348 68.772 68.772 71.350 -2.578 18296 2734 1 7 . 1 1 41 41 THR H H 348 8.421 8.421 7.762 0.659 18296 2735 1 7 . 1 1 42 42 ALA N N 349 130.177 130.177 126.814 3.363 18296 2736 1 7 . 1 1 42 42 ALA HA H 349 4.967 4.967 5.466 -0.499 18296 2737 1 7 . 1 1 42 42 ALA C C 349 176.955 176.955 176.118 0.837 18296 2738 1 7 . 1 1 42 42 ALA CA C 349 49.997 49.997 50.681 -0.684 18296 2739 1 7 . 1 1 42 42 ALA CB C 349 23.467 23.467 21.806 1.661 18296 2740 1 7 . 1 1 42 42 ALA H H 349 8.856 8.856 8.764 0.092 18296 2741 1 7 . 1 1 43 43 PHE N N 350 113.053 113.053 118.639 -5.586 18296 2742 1 7 . 1 1 43 43 PHE HA H 350 5.525 5.525 4.838 0.687 18296 2743 1 7 . 1 1 43 43 PHE C C 350 177.894 177.894 173.724 4.170 18296 2744 1 7 . 1 1 43 43 PHE CA C 350 53.625 53.625 56.473 -2.848 18296 2745 1 7 . 1 1 43 43 PHE CB C 350 39.459 39.459 41.200 -1.741 18296 2746 1 7 . 1 1 43 43 PHE H H 350 7.912 7.912 8.932 -1.020 18296 2747 1 7 . 1 1 44 44 HIS N N 351 118.497 118.497 119.949 -1.452 18296 2748 1 7 . 1 1 44 44 HIS HA H 351 4.892 4.892 4.807 0.085 18296 2749 1 7 . 1 1 44 44 HIS C C 351 176.371 176.371 177.137 -0.766 18296 2750 1 7 . 1 1 44 44 HIS CA C 351 58.019 58.019 57.104 0.915 18296 2751 1 7 . 1 1 44 44 HIS CB C 351 31.716 31.716 29.930 1.786 18296 2752 1 7 . 1 1 44 44 HIS H H 351 9.335 9.335 8.515 0.820 18296 2753 1 7 . 1 1 45 45 VAL N N 352 124.407 124.407 121.942 2.465 18296 2754 1 7 . 1 1 45 45 VAL HA H 352 3.476 3.476 3.776 -0.300 18296 2755 1 7 . 1 1 45 45 VAL C C 352 175.305 175.305 177.828 -2.523 18296 2756 1 7 . 1 1 45 45 VAL CA C 352 67.359 67.359 66.704 0.655 18296 2757 1 7 . 1 1 45 45 VAL CB C 352 31.627 31.627 31.593 0.034 18296 2758 1 7 . 1 1 45 45 VAL H H 352 8.654 8.654 7.997 0.657 18296 2759 1 7 . 1 1 46 46 THR N N 353 111.166 111.166 114.599 -3.433 18296 2760 1 7 . 1 1 46 46 THR HA H 353 3.997 3.997 4.052 -0.055 18296 2761 1 7 . 1 1 46 46 THR C C 353 175.010 175.010 175.892 -0.882 18296 2762 1 7 . 1 1 46 46 THR CA C 353 65.008 65.008 65.194 -0.185 18296 2763 1 7 . 1 1 46 46 THR CB C 353 67.830 67.830 68.189 -0.359 18296 2764 1 7 . 1 1 46 46 THR H H 353 8.370 8.370 8.421 -0.051 18296 2765 1 7 . 1 1 47 47 CYS N N 354 120.975 120.975 119.663 1.312 18296 2766 1 7 . 1 1 47 47 CYS HA H 354 3.762 3.762 4.102 -0.340 18296 2767 1 7 . 1 1 47 47 CYS C C 354 175.912 175.912 177.121 -1.209 18296 2768 1 7 . 1 1 47 47 CYS CA C 354 63.372 63.372 62.953 0.419 18296 2769 1 7 . 1 1 47 47 CYS CB C 354 29.076 29.076 25.758 3.318 18296 2770 1 7 . 1 1 47 47 CYS H H 354 6.668 6.668 8.658 -1.990 18296 2771 1 7 . 1 1 48 48 ALA N N 355 123.247 123.247 123.021 0.226 18296 2772 1 7 . 1 1 48 48 ALA HA H 355 3.511 3.511 4.050 -0.539 18296 2773 1 7 . 1 1 48 48 ALA C C 355 174.031 174.031 179.467 -5.436 18296 2774 1 7 . 1 1 48 48 ALA CA C 355 55.045 55.045 55.203 -0.158 18296 2775 1 7 . 1 1 48 48 ALA CB C 355 19.962 19.962 18.737 1.225 18296 2776 1 7 . 1 1 48 48 ALA H H 355 8.481 8.481 8.048 0.433 18296 2777 1 7 . 1 1 49 49 GLN N N 356 118.150 118.150 117.790 0.360 18296 2778 1 7 . 1 1 49 49 GLN HA H 356 4.003 4.003 4.005 -0.002 18296 2779 1 7 . 1 1 49 49 GLN C C 356 173.755 173.755 178.626 -4.871 18296 2780 1 7 . 1 1 49 49 GLN CA C 356 58.728 58.728 58.579 0.149 18296 2781 1 7 . 1 1 49 49 GLN CB C 356 28.196 28.196 28.793 -0.597 18296 2782 1 7 . 1 1 49 49 GLN H H 356 8.055 8.055 7.868 0.187 18296 2783 1 7 . 1 1 50 50 LYS N N 357 120.248 120.248 118.514 1.734 18296 2784 1 7 . 1 1 50 50 LYS HA H 357 3.866 3.866 4.172 -0.306 18296 2785 1 7 . 1 1 50 50 LYS C C 357 175.624 175.624 178.151 -2.527 18296 2786 1 7 . 1 1 50 50 LYS CA C 357 58.989 58.989 58.063 0.925 18296 2787 1 7 . 1 1 50 50 LYS CB C 357 32.377 32.377 32.486 -0.109 18296 2788 1 7 . 1 1 50 50 LYS H H 357 7.628 7.628 7.994 -0.366 18296 2789 1 7 . 1 1 51 51 ALA N N 358 118.343 118.343 119.741 -1.398 18296 2790 1 7 . 1 1 51 51 ALA HA H 358 4.138 4.138 4.236 -0.098 18296 2791 1 7 . 1 1 51 51 ALA C C 358 176.132 176.132 178.611 -2.479 18296 2792 1 7 . 1 1 51 51 ALA CA C 358 52.263 52.263 53.479 -1.216 18296 2793 1 7 . 1 1 51 51 ALA CB C 358 19.690 19.690 19.410 0.280 18296 2794 1 7 . 1 1 51 51 ALA H H 358 7.558 7.558 7.616 -0.058 18296 2795 1 7 . 1 1 52 52 GLY N N 359 107.058 107.058 105.724 1.334 18296 2796 1 7 . 1 1 52 52 GLY C C 359 178.221 178.221 174.684 3.537 18296 2797 1 7 . 1 1 52 52 GLY CA C 359 46.323 46.323 44.919 1.404 18296 2798 1 7 . 1 1 52 52 GLY H H 359 7.481 7.481 8.228 -0.747 18296 2799 1 7 . 1 1 53 53 LEU N N 360 118.335 118.335 116.613 1.722 18296 2800 1 7 . 1 1 53 53 LEU HA H 360 4.002 4.002 4.437 -0.435 18296 2801 1 7 . 1 1 53 53 LEU C C 360 176.917 176.917 176.906 0.011 18296 2802 1 7 . 1 1 53 53 LEU CA C 360 54.926 54.926 54.923 0.003 18296 2803 1 7 . 1 1 53 53 LEU CB C 360 39.949 39.949 42.290 -2.341 18296 2804 1 7 . 1 1 53 53 LEU H H 360 7.502 7.502 7.210 0.292 18296 2805 1 7 . 1 1 54 54 TYR N N 361 124.191 124.191 120.149 4.042 18296 2806 1 7 . 1 1 54 54 TYR HA H 361 4.024 4.024 4.528 -0.504 18296 2807 1 7 . 1 1 54 54 TYR C C 361 178.584 178.584 175.066 3.518 18296 2808 1 7 . 1 1 54 54 TYR CA C 361 59.385 59.385 59.236 0.149 18296 2809 1 7 . 1 1 54 54 TYR CB C 361 39.068 39.068 40.019 -0.951 18296 2810 1 7 . 1 1 54 54 TYR H H 361 9.307 9.307 8.668 0.639 18296 2811 1 7 . 1 1 55 55 MET N N 362 127.473 127.473 126.820 0.653 18296 2812 1 7 . 1 1 55 55 MET HA H 362 4.953 4.953 4.702 0.251 18296 2813 1 7 . 1 1 55 55 MET C C 362 179.342 179.342 174.311 5.031 18296 2814 1 7 . 1 1 55 55 MET CA C 362 54.918 54.918 54.253 0.665 18296 2815 1 7 . 1 1 55 55 MET CB C 362 35.857 35.857 35.474 0.383 18296 2816 1 7 . 1 1 55 55 MET H H 362 7.575 7.575 7.798 -0.223 18296 2817 1 7 . 1 1 56 56 LYS N N 363 124.429 124.429 125.066 -0.637 18296 2818 1 7 . 1 1 56 56 LYS HA H 363 4.339 4.339 4.523 -0.184 18296 2819 1 7 . 1 1 56 56 LYS C C 363 178.541 178.541 174.621 3.920 18296 2820 1 7 . 1 1 56 56 LYS CA C 363 54.939 54.939 54.905 0.034 18296 2821 1 7 . 1 1 56 56 LYS CB C 363 35.977 35.977 35.657 0.320 18296 2822 1 7 . 1 1 56 56 LYS H H 363 8.575 8.575 8.815 -0.240 18296 2823 1 7 . 1 1 57 57 MET N N 364 123.350 123.350 120.434 2.916 18296 2824 1 7 . 1 1 57 57 MET HA H 364 4.801 4.801 4.733 0.068 18296 2825 1 7 . 1 1 57 57 MET C C 364 178.016 178.016 174.443 3.573 18296 2826 1 7 . 1 1 57 57 MET CA C 364 54.111 54.111 55.452 -1.341 18296 2827 1 7 . 1 1 57 57 MET H H 364 8.484 8.484 8.567 -0.083 18296 2828 1 7 . 1 1 58 58 GLU N N 365 121.319 121.319 123.144 -1.825 18296 2829 1 7 . 1 1 58 58 GLU H H 365 8.193 8.193 8.892 -0.699 18296 2830 1 7 . 1 1 59 59 PRO HA H 366 4.665 4.665 4.385 0.280 18296 2831 1 7 . 1 1 59 59 PRO C C 366 176.742 176.742 176.651 0.091 18296 2832 1 7 . 1 1 59 59 PRO CA C 366 62.524 62.524 62.807 -0.283 18296 2833 1 7 . 1 1 59 59 PRO CB C 366 32.125 32.125 32.104 0.021 18296 2834 1 7 . 1 1 60 60 VAL N N 367 122.754 122.754 120.274 2.480 18296 2835 1 7 . 1 1 60 60 VAL HA H 367 4.105 4.105 4.436 -0.331 18296 2836 1 7 . 1 1 60 60 VAL C C 367 178.435 178.435 175.363 3.072 18296 2837 1 7 . 1 1 60 60 VAL CA C 367 61.529 61.529 61.026 0.503 18296 2838 1 7 . 1 1 60 60 VAL CB C 367 34.057 34.057 33.839 0.218 18296 2839 1 7 . 1 1 60 60 VAL H H 367 8.509 8.509 8.024 0.485 18296 2840 1 7 . 1 1 61 61 LYS N N 368 126.381 126.381 126.704 -0.323 18296 2841 1 7 . 1 1 61 61 LYS HA H 368 4.180 4.180 4.579 -0.399 18296 2842 1 7 . 1 1 61 61 LYS C C 368 177.499 177.499 175.214 2.285 18296 2843 1 7 . 1 1 61 61 LYS CA C 368 56.047 56.047 54.955 1.092 18296 2844 1 7 . 1 1 61 61 LYS CB C 368 33.313 33.313 32.506 0.807 18296 2845 1 7 . 1 1 61 61 LYS H H 368 8.379 8.379 8.803 -0.424 18296 2846 1 7 . 1 1 62 62 GLU N N 369 123.927 123.927 119.024 4.903 18296 2847 1 7 . 1 1 62 62 GLU HA H 369 4.246 4.246 4.086 0.160 18296 2848 1 7 . 1 1 62 62 GLU C C 369 177.861 177.861 176.125 1.736 18296 2849 1 7 . 1 1 62 62 GLU CA C 369 55.596 55.596 57.431 -1.835 18296 2850 1 7 . 1 1 62 62 GLU CB C 369 31.289 31.289 30.302 0.987 18296 2851 1 7 . 1 1 62 62 GLU H H 369 8.355 8.355 8.737 -0.382 18296 2852 1 7 . 1 1 63 63 LEU N N 370 124.406 124.406 119.699 4.707 18296 2853 1 7 . 1 1 63 63 LEU HA H 370 4.356 4.356 4.172 0.184 18296 2854 1 7 . 1 1 63 63 LEU C C 370 176.026 176.026 177.111 -1.085 18296 2855 1 7 . 1 1 63 63 LEU CA C 370 55.223 55.223 57.041 -1.818 18296 2856 1 7 . 1 1 63 63 LEU CB C 370 42.061 42.061 42.707 -0.646 18296 2857 1 7 . 1 1 63 63 LEU H H 370 8.419 8.419 8.566 -0.147 18296 2858 1 7 . 1 1 64 64 THR N N 371 114.722 114.722 113.088 1.634 18296 2859 1 7 . 1 1 64 64 THR HA H 371 4.306 4.306 4.422 -0.116 18296 2860 1 7 . 1 1 64 64 THR C C 371 178.158 178.158 174.293 3.865 18296 2861 1 7 . 1 1 64 64 THR CA C 371 61.196 61.196 62.157 -0.961 18296 2862 1 7 . 1 1 64 64 THR CB C 371 70.416 70.416 68.360 2.056 18296 2863 1 7 . 1 1 64 64 THR H H 371 7.966 7.966 7.726 0.240 18296 2864 1 7 . 1 1 65 65 GLY N N 372 111.711 111.711 115.574 -3.863 18296 2865 1 7 . 1 1 65 65 GLY C C 372 178.512 178.512 173.617 4.895 18296 2866 1 7 . 1 1 65 65 GLY CA C 372 46.227 46.227 45.846 0.381 18296 2867 1 7 . 1 1 65 65 GLY H H 372 8.565 8.565 8.310 0.255 18296 2868 1 7 . 1 1 66 66 GLY N N 373 108.771 108.771 109.928 -1.157 18296 2869 1 7 . 1 1 66 66 GLY C C 373 178.999 178.999 174.395 4.604 18296 2870 1 7 . 1 1 66 66 GLY CA C 373 45.287 45.287 45.632 -0.345 18296 2871 1 7 . 1 1 66 66 GLY H H 373 8.227 8.227 7.900 0.327 18296 2872 1 7 . 1 1 67 67 GLY N N 374 108.901 108.901 109.129 -0.228 18296 2873 1 7 . 1 1 67 67 GLY C C 374 179.721 179.721 173.038 6.683 18296 2874 1 7 . 1 1 67 67 GLY CA C 374 44.987 44.987 44.015 0.972 18296 2875 1 7 . 1 1 67 67 GLY H H 374 7.876 7.876 8.101 -0.225 18296 2876 1 7 . 1 1 68 68 THR N N 375 114.505 114.505 114.371 0.134 18296 2877 1 7 . 1 1 68 68 THR HA H 375 4.450 4.450 4.499 -0.049 18296 2878 1 7 . 1 1 68 68 THR C C 375 178.997 178.997 172.906 6.091 18296 2879 1 7 . 1 1 68 68 THR CA C 375 61.900 61.900 60.974 0.926 18296 2880 1 7 . 1 1 68 68 THR CB C 375 70.047 70.047 69.323 0.724 18296 2881 1 7 . 1 1 68 68 THR H H 375 8.112 8.112 7.976 0.136 18296 2882 1 7 . 1 1 69 69 THR N N 376 118.054 118.054 116.997 1.057 18296 2883 1 7 . 1 1 69 69 THR HA H 376 4.302 4.302 3.766 0.536 18296 2884 1 7 . 1 1 69 69 THR C C 376 180.403 180.403 173.597 6.806 18296 2885 1 7 . 1 1 69 69 THR CA C 376 61.114 61.114 62.964 -1.849 18296 2886 1 7 . 1 1 69 69 THR CB C 376 70.422 70.422 68.751 1.671 18296 2887 1 7 . 1 1 69 69 THR H H 376 8.259 8.259 8.206 0.053 18296 2888 1 7 . 1 1 70 70 PHE N N 377 122.009 122.009 119.455 2.554 18296 2889 1 7 . 1 1 70 70 PHE HA H 377 4.910 4.910 4.517 0.393 18296 2890 1 7 . 1 1 70 70 PHE C C 377 177.972 177.972 175.411 2.561 18296 2891 1 7 . 1 1 70 70 PHE CA C 377 57.227 57.227 58.188 -0.961 18296 2892 1 7 . 1 1 70 70 PHE CB C 377 40.873 40.873 38.391 2.482 18296 2893 1 7 . 1 1 70 70 PHE H H 377 8.351 8.351 8.062 0.289 18296 2894 1 7 . 1 1 71 71 SER N N 378 117.853 117.853 118.684 -0.831 18296 2895 1 7 . 1 1 71 71 SER HA H 378 4.493 4.493 4.671 -0.178 18296 2896 1 7 . 1 1 71 71 SER C C 378 180.063 180.063 172.149 7.914 18296 2897 1 7 . 1 1 71 71 SER CA C 378 57.276 57.276 57.903 -0.627 18296 2898 1 7 . 1 1 71 71 SER CB C 378 64.612 64.612 64.413 0.199 18296 2899 1 7 . 1 1 71 71 SER H H 378 8.519 8.519 8.684 -0.165 18296 2900 1 7 . 1 1 72 72 VAL N N 379 120.162 120.162 120.348 -0.186 18296 2901 1 7 . 1 1 72 72 VAL HA H 379 4.441 4.441 4.405 0.036 18296 2902 1 7 . 1 1 72 72 VAL C C 379 178.192 178.192 174.387 3.805 18296 2903 1 7 . 1 1 72 72 VAL CA C 379 61.369 61.369 61.388 -0.019 18296 2904 1 7 . 1 1 72 72 VAL CB C 379 33.944 33.944 34.377 -0.432 18296 2905 1 7 . 1 1 72 72 VAL H H 379 8.277 8.277 8.372 -0.095 18296 2906 1 7 . 1 1 73 73 ARG N N 380 126.538 126.538 125.511 1.027 18296 2907 1 7 . 1 1 73 73 ARG HA H 380 4.430 4.430 4.531 -0.101 18296 2908 1 7 . 1 1 73 73 ARG C C 380 177.524 177.524 174.703 2.821 18296 2909 1 7 . 1 1 73 73 ARG CA C 380 54.744 54.744 55.712 -0.968 18296 2910 1 7 . 1 1 73 73 ARG CB C 380 32.635 32.635 32.256 0.379 18296 2911 1 7 . 1 1 73 73 ARG H H 380 8.727 8.727 8.580 0.147 18296 2912 1 7 . 1 1 74 74 LYS N N 381 126.485 126.485 126.087 0.398 18296 2913 1 7 . 1 1 74 74 LYS HA H 381 4.613 4.613 4.601 0.012 18296 2914 1 7 . 1 1 74 74 LYS C C 381 178.050 178.050 175.370 2.680 18296 2915 1 7 . 1 1 74 74 LYS CA C 381 56.325 56.325 55.371 0.954 18296 2916 1 7 . 1 1 74 74 LYS CB C 381 33.149 33.149 36.079 -2.930 18296 2917 1 7 . 1 1 74 74 LYS H H 381 8.636 8.636 8.550 0.086 18296 2918 1 7 . 1 1 75 75 THR N N 382 120.767 120.767 118.002 2.765 18296 2919 1 7 . 1 1 75 75 THR HA H 382 3.791 3.791 4.439 -0.648 18296 2920 1 7 . 1 1 75 75 THR C C 382 181.578 181.578 171.911 9.667 18296 2921 1 7 . 1 1 75 75 THR CA C 382 61.703 61.703 61.513 0.190 18296 2922 1 7 . 1 1 75 75 THR CB C 382 70.771 70.771 71.724 -0.953 18296 2923 1 7 . 1 1 75 75 THR H H 382 8.544 8.544 8.301 0.243 18296 2924 1 7 . 1 1 76 76 ALA N N 383 126.390 126.390 125.194 1.196 18296 2925 1 7 . 1 1 76 76 ALA HA H 383 5.358 5.358 4.894 0.464 18296 2926 1 7 . 1 1 76 76 ALA C C 383 178.931 178.931 174.853 4.078 18296 2927 1 7 . 1 1 76 76 ALA CA C 383 50.669 50.669 51.500 -0.831 18296 2928 1 7 . 1 1 76 76 ALA CB C 383 24.682 24.682 22.392 2.290 18296 2929 1 7 . 1 1 76 76 ALA H H 383 7.981 7.981 8.379 -0.398 18296 2930 1 7 . 1 1 77 77 TYR N N 384 116.182 116.182 119.219 -3.037 18296 2931 1 7 . 1 1 77 77 TYR HA H 384 5.920 5.920 5.021 0.899 18296 2932 1 7 . 1 1 77 77 TYR C C 384 177.384 177.384 176.262 1.122 18296 2933 1 7 . 1 1 77 77 TYR CA C 384 56.234 56.234 56.649 -0.415 18296 2934 1 7 . 1 1 77 77 TYR CB C 384 43.201 43.201 41.610 1.591 18296 2935 1 7 . 1 1 77 77 TYR H H 384 7.899 7.899 8.040 -0.141 18296 2936 1 7 . 1 1 78 78 CYS N N 385 121.146 121.146 119.174 1.972 18296 2937 1 7 . 1 1 78 78 CYS HA H 385 4.312 4.312 3.929 0.383 18296 2938 1 7 . 1 1 78 78 CYS C C 385 178.543 178.543 176.298 2.245 18296 2939 1 7 . 1 1 78 78 CYS CA C 385 58.293 58.293 58.472 -0.179 18296 2940 1 7 . 1 1 78 78 CYS CB C 385 29.815 29.815 28.681 1.134 18296 2941 1 7 . 1 1 78 78 CYS H H 385 9.855 9.855 8.651 1.204 18296 2942 1 7 . 1 1 79 79 ASP N N 386 115.334 115.334 121.246 -5.912 18296 2943 1 7 . 1 1 79 79 ASP HA H 386 3.946 3.946 4.407 -0.461 18296 2944 1 7 . 1 1 79 79 ASP C C 386 175.510 175.510 177.496 -1.986 18296 2945 1 7 . 1 1 79 79 ASP CA C 386 57.118 57.118 56.903 0.215 18296 2946 1 7 . 1 1 79 79 ASP CB C 386 40.495 40.495 41.213 -0.718 18296 2947 1 7 . 1 1 79 79 ASP H H 386 7.657 7.657 8.121 -0.464 18296 2948 1 7 . 1 1 80 80 VAL N N 387 119.872 119.872 112.176 7.696 18296 2949 1 7 . 1 1 80 80 VAL HA H 387 3.579 3.579 4.070 -0.491 18296 2950 1 7 . 1 1 80 80 VAL C C 387 176.437 176.437 175.779 0.658 18296 2951 1 7 . 1 1 80 80 VAL CA C 387 64.272 64.272 62.581 1.690 18296 2952 1 7 . 1 1 80 80 VAL CB C 387 31.798 31.798 30.492 1.306 18296 2953 1 7 . 1 1 80 80 VAL H H 387 7.601 7.601 7.552 0.049 18296 2954 1 7 . 1 1 81 81 HIS N N 388 119.244 119.244 118.181 1.063 18296 2955 1 7 . 1 1 81 81 HIS HA H 388 4.632 4.632 4.633 -0.001 18296 2956 1 7 . 1 1 81 81 HIS C C 388 180.644 180.644 176.057 4.587 18296 2957 1 7 . 1 1 81 81 HIS CA C 388 56.212 56.212 57.772 -1.560 18296 2958 1 7 . 1 1 81 81 HIS CB C 388 31.774 31.774 32.053 -0.279 18296 2959 1 7 . 1 1 81 81 HIS H H 388 7.385 7.385 7.849 -0.464 18296 2960 1 7 . 1 1 82 82 THR N N 389 117.899 117.899 115.440 2.459 18296 2961 1 7 . 1 1 82 82 THR HA H 389 3.733 3.733 4.462 -0.729 18296 2962 1 7 . 1 1 82 82 THR C C 389 181.155 181.155 174.283 6.872 18296 2963 1 7 . 1 1 82 82 THR CA C 389 61.844 61.844 65.360 -3.516 18296 2964 1 7 . 1 1 82 82 THR CB C 389 70.285 70.285 67.371 2.914 18296 2965 1 7 . 1 1 82 82 THR H H 389 7.133 7.133 7.666 -0.533 18296 2966 1 7 . 1 1 83 83 PRO HA H 390 4.192 4.192 4.377 -0.185 18296 2967 1 7 . 1 1 83 83 PRO CA C 390 61.509 61.509 64.472 -2.963 18296 2968 1 7 . 1 1 83 83 PRO CB C 390 30.773 30.773 30.388 0.385 18296 2969 1 7 . 1 1 84 84 PRO HA H 391 4.220 4.220 4.405 -0.185 18296 2970 1 7 . 1 1 84 84 PRO C C 391 175.949 175.949 176.953 -1.004 18296 2971 1 7 . 1 1 84 84 PRO CA C 391 63.032 63.032 62.331 0.701 18296 2972 1 7 . 1 1 84 84 PRO CB C 391 31.983 31.983 31.956 0.027 18296 2973 1 7 . 1 1 85 85 GLY N N 392 109.626 109.626 106.455 3.171 18296 2974 1 7 . 1 1 85 85 GLY C C 392 179.223 179.223 174.675 4.548 18296 2975 1 7 . 1 1 85 85 GLY CA C 392 45.359 45.359 44.854 0.505 18296 2976 1 7 . 1 1 85 85 GLY H H 392 8.367 8.367 8.281 0.086 18296 2977 1 7 . 1 1 86 86 SER N N 393 115.675 115.675 119.921 -4.246 18296 2978 1 7 . 1 1 86 86 SER HA H 393 4.354 4.354 4.046 0.308 18296 2979 1 7 . 1 1 86 86 SER C C 393 179.569 179.569 174.114 5.455 18296 2980 1 7 . 1 1 86 86 SER CA C 393 58.521 58.521 60.254 -1.733 18296 2981 1 7 . 1 1 86 86 SER CB C 393 63.913 63.913 62.645 1.268 18296 2982 1 7 . 1 1 86 86 SER H H 393 8.022 8.022 8.583 -0.561 18296 2983 1 8 . 1 1 10 10 ASN N N 317 120.101 120.101 119.187 0.914 18296 2984 1 8 . 1 1 10 10 ASN HA H 317 4.501 4.501 4.832 -0.331 18296 2985 1 8 . 1 1 10 10 ASN C C 317 179.015 179.015 175.058 3.957 18296 2986 1 8 . 1 1 10 10 ASN CA C 317 53.191 53.191 53.343 -0.152 18296 2987 1 8 . 1 1 10 10 ASN CB C 317 38.650 38.650 40.089 -1.439 18296 2988 1 8 . 1 1 10 10 ASN H H 317 8.415 8.415 8.063 0.352 18296 2989 1 8 . 1 1 11 11 ILE N N 318 122.869 122.869 121.741 1.128 18296 2990 1 8 . 1 1 11 11 ILE HA H 318 4.250 4.250 4.035 0.215 18296 2991 1 8 . 1 1 11 11 ILE C C 318 179.506 179.506 174.770 4.736 18296 2992 1 8 . 1 1 11 11 ILE CA C 318 58.332 58.332 60.952 -2.620 18296 2993 1 8 . 1 1 11 11 ILE CB C 318 38.713 38.713 36.394 2.319 18296 2994 1 8 . 1 1 11 11 ILE H H 318 7.924 7.924 8.051 -0.127 18296 2995 1 8 . 1 1 12 12 PRO HA H 319 4.359 4.359 4.325 0.034 18296 2996 1 8 . 1 1 12 12 PRO CA C 319 61.487 61.487 64.927 -3.439 18296 2997 1 8 . 1 1 12 12 PRO CB C 319 30.960 30.960 31.027 -0.067 18296 2998 1 8 . 1 1 13 13 PRO HA H 320 3.968 3.968 4.220 -0.252 18296 2999 1 8 . 1 1 13 13 PRO C C 320 176.730 176.730 175.446 1.284 18296 3000 1 8 . 1 1 13 13 PRO CA C 320 62.874 62.874 63.187 -0.313 18296 3001 1 8 . 1 1 13 13 PRO CB C 320 31.948 31.948 30.848 1.100 18296 3002 1 8 . 1 1 14 14 ALA N N 321 123.469 123.469 127.442 -3.973 18296 3003 1 8 . 1 1 14 14 ALA HA H 321 3.952 3.952 3.523 0.429 18296 3004 1 8 . 1 1 14 14 ALA C C 321 175.208 175.208 176.679 -1.471 18296 3005 1 8 . 1 1 14 14 ALA CA C 321 52.876 52.876 51.881 0.995 18296 3006 1 8 . 1 1 14 14 ALA CB C 321 18.896 18.896 19.379 -0.483 18296 3007 1 8 . 1 1 14 14 ALA H H 321 8.108 8.108 8.076 0.032 18296 3008 1 8 . 1 1 15 15 ARG N N 322 118.725 118.725 121.541 -2.816 18296 3009 1 8 . 1 1 15 15 ARG HA H 322 3.943 3.943 4.300 -0.357 18296 3010 1 8 . 1 1 15 15 ARG C C 322 176.870 176.870 175.284 1.586 18296 3011 1 8 . 1 1 15 15 ARG CA C 322 56.737 56.737 55.569 1.168 18296 3012 1 8 . 1 1 15 15 ARG CB C 322 30.230 30.230 28.998 1.232 18296 3013 1 8 . 1 1 15 15 ARG H H 322 8.077 8.077 8.470 -0.393 18296 3014 1 8 . 1 1 16 16 TRP N N 323 120.113 120.113 122.102 -1.989 18296 3015 1 8 . 1 1 16 16 TRP HA H 323 4.471 4.471 4.912 -0.441 18296 3016 1 8 . 1 1 16 16 TRP C C 323 177.322 177.322 175.612 1.710 18296 3017 1 8 . 1 1 16 16 TRP CA C 323 57.143 57.143 53.890 3.253 18296 3018 1 8 . 1 1 16 16 TRP CB C 323 29.192 29.192 27.620 1.572 18296 3019 1 8 . 1 1 16 16 TRP H H 323 7.634 7.634 7.556 0.078 18296 3020 1 8 . 1 1 17 17 LYS N N 324 121.400 121.400 121.075 0.325 18296 3021 1 8 . 1 1 17 17 LYS HA H 324 3.951 3.951 4.722 -0.771 18296 3022 1 8 . 1 1 17 17 LYS C C 324 179.457 179.457 175.211 4.246 18296 3023 1 8 . 1 1 17 17 LYS CA C 324 56.502 56.502 55.572 0.930 18296 3024 1 8 . 1 1 17 17 LYS CB C 324 32.867 32.867 35.288 -2.421 18296 3025 1 8 . 1 1 17 17 LYS H H 324 7.735 7.735 7.807 -0.072 18296 3026 1 8 . 1 1 18 18 LEU N N 325 121.064 121.064 120.019 1.045 18296 3027 1 8 . 1 1 18 18 LEU HA H 325 4.141 4.141 4.799 -0.658 18296 3028 1 8 . 1 1 18 18 LEU C C 325 176.781 176.781 176.112 0.669 18296 3029 1 8 . 1 1 18 18 LEU CA C 325 54.574 54.574 54.880 -0.306 18296 3030 1 8 . 1 1 18 18 LEU CB C 325 42.252 42.252 43.664 -1.412 18296 3031 1 8 . 1 1 18 18 LEU H H 325 7.708 7.708 8.352 -0.644 18296 3032 1 8 . 1 1 19 19 THR N N 326 117.252 117.252 116.104 1.148 18296 3033 1 8 . 1 1 19 19 THR HA H 326 3.935 3.935 4.665 -0.730 18296 3034 1 8 . 1 1 19 19 THR C C 326 180.854 180.854 173.920 6.934 18296 3035 1 8 . 1 1 19 19 THR CA C 326 61.977 61.977 61.007 0.970 18296 3036 1 8 . 1 1 19 19 THR CB C 326 70.166 70.166 71.122 -0.956 18296 3037 1 8 . 1 1 19 19 THR H H 326 7.915 7.915 8.110 -0.195 18296 3038 1 8 . 1 1 20 20 CYS N N 327 127.254 127.254 123.350 3.904 18296 3039 1 8 . 1 1 20 20 CYS HA H 327 4.324 4.324 4.922 -0.598 18296 3040 1 8 . 1 1 20 20 CYS C C 327 175.898 175.898 176.253 -0.355 18296 3041 1 8 . 1 1 20 20 CYS CA C 327 57.928 57.928 58.629 -0.701 18296 3042 1 8 . 1 1 20 20 CYS CB C 327 31.298 31.298 28.475 2.823 18296 3043 1 8 . 1 1 20 20 CYS H H 327 8.055 8.055 8.774 -0.719 18296 3044 1 8 . 1 1 21 21 TYR N N 328 129.752 129.752 121.471 8.281 18296 3045 1 8 . 1 1 21 21 TYR HA H 328 4.488 4.488 4.705 -0.217 18296 3046 1 8 . 1 1 21 21 TYR C C 328 178.625 178.625 176.394 2.231 18296 3047 1 8 . 1 1 21 21 TYR CA C 328 58.951 58.951 59.368 -0.417 18296 3048 1 8 . 1 1 21 21 TYR CB C 328 37.712 37.712 38.523 -0.811 18296 3049 1 8 . 1 1 21 21 TYR H H 328 9.082 9.082 8.641 0.441 18296 3050 1 8 . 1 1 22 22 LEU N N 329 124.057 124.057 120.533 3.524 18296 3051 1 8 . 1 1 22 22 LEU HA H 329 3.749 3.749 4.106 -0.357 18296 3052 1 8 . 1 1 22 22 LEU C C 329 176.268 176.268 177.137 -0.869 18296 3053 1 8 . 1 1 22 22 LEU CA C 329 56.514 56.514 54.736 1.778 18296 3054 1 8 . 1 1 22 22 LEU CB C 329 42.975 42.975 42.213 0.762 18296 3055 1 8 . 1 1 22 22 LEU H H 329 8.140 8.140 7.742 0.398 18296 3056 1 8 . 1 1 23 23 CYS N N 330 117.734 117.734 113.439 4.295 18296 3057 1 8 . 1 1 23 23 CYS HA H 330 4.741 4.741 4.859 -0.118 18296 3058 1 8 . 1 1 23 23 CYS C C 330 177.769 177.769 172.802 4.967 18296 3059 1 8 . 1 1 23 23 CYS CA C 330 58.459 58.459 56.781 1.678 18296 3060 1 8 . 1 1 23 23 CYS CB C 330 30.918 30.918 31.528 -0.610 18296 3061 1 8 . 1 1 23 23 CYS H H 330 7.971 7.971 7.267 0.704 18296 3062 1 8 . 1 1 24 24 LYS N N 331 118.437 118.437 116.809 1.628 18296 3063 1 8 . 1 1 24 24 LYS HA H 331 3.980 3.980 4.549 -0.569 18296 3064 1 8 . 1 1 24 24 LYS C C 331 178.178 178.178 175.926 2.252 18296 3065 1 8 . 1 1 24 24 LYS CA C 331 57.520 57.520 56.157 1.363 18296 3066 1 8 . 1 1 24 24 LYS CB C 331 29.278 29.278 32.014 -2.736 18296 3067 1 8 . 1 1 24 24 LYS H H 331 7.842 7.842 8.225 -0.383 18296 3068 1 8 . 1 1 25 25 GLN N N 332 118.445 118.445 119.362 -0.917 18296 3069 1 8 . 1 1 25 25 GLN HA H 332 4.574 4.574 4.624 -0.050 18296 3070 1 8 . 1 1 25 25 GLN C C 332 177.619 177.619 175.085 2.534 18296 3071 1 8 . 1 1 25 25 GLN CA C 332 54.362 54.362 54.370 -0.007 18296 3072 1 8 . 1 1 25 25 GLN CB C 332 31.843 31.843 28.717 3.126 18296 3073 1 8 . 1 1 25 25 GLN H H 332 8.306 8.306 7.970 0.336 18296 3074 1 8 . 1 1 26 26 LYS N N 333 122.851 122.851 123.043 -0.192 18296 3075 1 8 . 1 1 26 26 LYS HA H 333 4.222 4.222 4.233 -0.011 18296 3076 1 8 . 1 1 26 26 LYS C C 333 175.456 175.456 177.258 -1.802 18296 3077 1 8 . 1 1 26 26 LYS CA C 333 57.729 57.729 56.972 0.757 18296 3078 1 8 . 1 1 26 26 LYS CB C 333 32.925 32.925 31.994 0.931 18296 3079 1 8 . 1 1 26 26 LYS H H 333 8.545 8.545 8.441 0.104 18296 3080 1 8 . 1 1 27 27 GLY N N 334 107.216 107.216 113.002 -5.786 18296 3081 1 8 . 1 1 27 27 GLY C C 334 180.017 180.017 173.511 6.506 18296 3082 1 8 . 1 1 27 27 GLY CA C 334 45.559 45.559 45.124 0.435 18296 3083 1 8 . 1 1 27 27 GLY H H 334 8.348 8.348 8.741 -0.393 18296 3084 1 8 . 1 1 28 28 VAL N N 335 117.437 117.437 122.925 -5.488 18296 3085 1 8 . 1 1 28 28 VAL HA H 335 4.133 4.133 4.203 -0.070 18296 3086 1 8 . 1 1 28 28 VAL C C 335 177.439 177.439 176.031 1.408 18296 3087 1 8 . 1 1 28 28 VAL CA C 335 61.502 61.502 62.019 -0.517 18296 3088 1 8 . 1 1 28 28 VAL CB C 335 33.563 33.563 32.539 1.024 18296 3089 1 8 . 1 1 28 28 VAL H H 335 7.867 7.867 8.443 -0.576 18296 3090 1 8 . 1 1 29 29 GLY N N 336 110.723 110.723 109.680 1.043 18296 3091 1 8 . 1 1 29 29 GLY C C 336 180.088 180.088 173.322 6.766 18296 3092 1 8 . 1 1 29 29 GLY CA C 336 44.344 44.344 45.924 -1.580 18296 3093 1 8 . 1 1 29 29 GLY H H 336 8.186 8.186 8.564 -0.378 18296 3094 1 8 . 1 1 30 30 ALA N N 337 122.643 122.643 125.003 -2.360 18296 3095 1 8 . 1 1 30 30 ALA HA H 337 4.193 4.193 4.812 -0.619 18296 3096 1 8 . 1 1 30 30 ALA C C 337 175.274 175.274 176.106 -0.832 18296 3097 1 8 . 1 1 30 30 ALA CA C 337 52.904 52.904 51.533 1.371 18296 3098 1 8 . 1 1 30 30 ALA CB C 337 19.677 19.677 20.660 -0.983 18296 3099 1 8 . 1 1 30 30 ALA H H 337 8.269 8.269 7.959 0.310 18296 3100 1 8 . 1 1 31 31 SER N N 338 117.644 117.644 116.996 0.648 18296 3101 1 8 . 1 1 31 31 SER HA H 338 4.775 4.775 5.133 -0.358 18296 3102 1 8 . 1 1 31 31 SER C C 338 180.923 180.923 173.333 7.590 18296 3103 1 8 . 1 1 31 31 SER CA C 338 57.406 57.406 57.072 0.334 18296 3104 1 8 . 1 1 31 31 SER CB C 338 65.388 65.388 65.388 0.001 18296 3105 1 8 . 1 1 31 31 SER H H 338 8.415 8.415 8.415 -0.000 18296 3106 1 8 . 1 1 32 32 ILE N N 339 121.240 121.240 121.201 0.039 18296 3107 1 8 . 1 1 32 32 ILE HA H 339 4.123 4.123 4.341 -0.218 18296 3108 1 8 . 1 1 32 32 ILE C C 339 181.302 181.302 173.249 8.053 18296 3109 1 8 . 1 1 32 32 ILE CA C 339 59.768 59.768 60.381 -0.613 18296 3110 1 8 . 1 1 32 32 ILE CB C 339 41.252 41.252 41.771 -0.519 18296 3111 1 8 . 1 1 32 32 ILE H H 339 8.522 8.522 8.946 -0.424 18296 3112 1 8 . 1 1 33 33 GLN N N 340 120.384 120.384 125.147 -4.763 18296 3113 1 8 . 1 1 33 33 GLN HA H 340 4.335 4.335 4.957 -0.622 18296 3114 1 8 . 1 1 33 33 GLN C C 340 179.377 179.377 174.708 4.669 18296 3115 1 8 . 1 1 33 33 GLN CA C 340 53.739 53.739 54.351 -0.612 18296 3116 1 8 . 1 1 33 33 GLN CB C 340 32.179 32.179 31.568 0.611 18296 3117 1 8 . 1 1 33 33 GLN H H 340 7.720 7.720 8.239 -0.519 18296 3118 1 8 . 1 1 34 34 CYS N N 341 125.463 125.463 125.976 -0.513 18296 3119 1 8 . 1 1 34 34 CYS HA H 341 4.036 4.036 4.796 -0.760 18296 3120 1 8 . 1 1 34 34 CYS C C 341 178.269 178.269 176.397 1.872 18296 3121 1 8 . 1 1 34 34 CYS CA C 341 60.992 60.992 59.367 1.625 18296 3122 1 8 . 1 1 34 34 CYS CB C 341 32.346 32.346 27.813 4.533 18296 3123 1 8 . 1 1 34 34 CYS H H 341 8.292 8.292 8.588 -0.296 18296 3124 1 8 . 1 1 35 35 HIS N N 342 126.611 126.611 129.261 -2.650 18296 3125 1 8 . 1 1 35 35 HIS HA H 342 4.128 4.128 4.370 -0.242 18296 3126 1 8 . 1 1 35 35 HIS CA C 342 57.556 57.556 57.336 0.220 18296 3127 1 8 . 1 1 35 35 HIS CB C 342 29.945 29.945 30.647 -0.702 18296 3128 1 8 . 1 1 35 35 HIS H H 342 8.722 8.722 8.679 0.043 18296 3129 1 8 . 1 1 36 36 LYS N N 343 124.049 124.049 117.341 6.708 18296 3130 1 8 . 1 1 36 36 LYS HA H 343 3.940 3.940 3.934 0.006 18296 3131 1 8 . 1 1 36 36 LYS C C 343 176.701 176.701 176.846 -0.145 18296 3132 1 8 . 1 1 36 36 LYS CA C 343 56.155 56.155 56.432 -0.277 18296 3133 1 8 . 1 1 36 36 LYS CB C 343 33.033 33.033 32.206 0.827 18296 3134 1 8 . 1 1 36 36 LYS H H 343 8.567 8.567 8.158 0.409 18296 3135 1 8 . 1 1 37 37 ALA N N 344 130.751 130.751 128.600 2.151 18296 3136 1 8 . 1 1 37 37 ALA HA H 344 3.733 3.733 3.261 0.472 18296 3137 1 8 . 1 1 37 37 ALA C C 344 175.302 175.302 177.685 -2.383 18296 3138 1 8 . 1 1 37 37 ALA CA C 344 53.917 53.917 53.833 0.084 18296 3139 1 8 . 1 1 37 37 ALA CB C 344 18.206 18.206 18.447 -0.241 18296 3140 1 8 . 1 1 37 37 ALA H H 344 8.363 8.363 8.500 -0.137 18296 3141 1 8 . 1 1 38 38 ASN N N 345 114.094 114.094 116.024 -1.930 18296 3142 1 8 . 1 1 38 38 ASN HA H 345 3.885 3.885 4.601 -0.716 18296 3143 1 8 . 1 1 38 38 ASN C C 345 181.195 181.195 176.447 4.748 18296 3144 1 8 . 1 1 38 38 ASN CA C 345 53.606 53.606 55.064 -1.458 18296 3145 1 8 . 1 1 38 38 ASN CB C 345 37.443 37.443 38.719 -1.276 18296 3146 1 8 . 1 1 38 38 ASN H H 345 8.292 8.292 8.469 -0.177 18296 3147 1 8 . 1 1 39 39 CYS N N 346 121.417 121.417 118.387 3.030 18296 3148 1 8 . 1 1 39 39 CYS C C 346 178.723 178.723 175.794 2.929 18296 3149 1 8 . 1 1 39 39 CYS H H 346 7.283 7.283 7.771 -0.488 18296 3150 1 8 . 1 1 40 40 TYR HA H 347 4.212 4.212 4.277 -0.065 18296 3151 1 8 . 1 1 40 40 TYR C C 347 178.156 178.156 174.366 3.790 18296 3152 1 8 . 1 1 40 40 TYR CA C 347 56.478 56.478 58.945 -2.467 18296 3153 1 8 . 1 1 40 40 TYR CB C 347 37.446 37.446 35.893 1.553 18296 3154 1 8 . 1 1 40 40 TYR H H 347 7.923 7.923 8.109 -0.186 18296 3155 1 8 . 1 1 41 41 THR N N 348 122.674 122.674 116.443 6.231 18296 3156 1 8 . 1 1 41 41 THR HA H 348 3.806 3.806 4.702 -0.896 18296 3157 1 8 . 1 1 41 41 THR C C 348 182.343 182.343 173.550 8.793 18296 3158 1 8 . 1 1 41 41 THR CA C 348 64.932 64.932 61.232 3.700 18296 3159 1 8 . 1 1 41 41 THR CB C 348 68.772 68.772 70.829 -2.057 18296 3160 1 8 . 1 1 41 41 THR H H 348 8.421 8.421 7.793 0.628 18296 3161 1 8 . 1 1 42 42 ALA N N 349 130.177 130.177 127.543 2.634 18296 3162 1 8 . 1 1 42 42 ALA HA H 349 4.967 4.967 5.191 -0.224 18296 3163 1 8 . 1 1 42 42 ALA C C 349 176.955 176.955 175.909 1.046 18296 3164 1 8 . 1 1 42 42 ALA CA C 349 49.997 49.997 51.002 -1.004 18296 3165 1 8 . 1 1 42 42 ALA CB C 349 23.467 23.467 21.381 2.086 18296 3166 1 8 . 1 1 42 42 ALA H H 349 8.856 8.856 8.682 0.174 18296 3167 1 8 . 1 1 43 43 PHE N N 350 113.053 113.053 119.091 -6.038 18296 3168 1 8 . 1 1 43 43 PHE HA H 350 5.525 5.525 4.950 0.575 18296 3169 1 8 . 1 1 43 43 PHE C C 350 177.894 177.894 173.527 4.367 18296 3170 1 8 . 1 1 43 43 PHE CA C 350 53.625 53.625 55.730 -2.105 18296 3171 1 8 . 1 1 43 43 PHE CB C 350 39.459 39.459 40.567 -1.108 18296 3172 1 8 . 1 1 43 43 PHE H H 350 7.912 7.912 8.901 -0.989 18296 3173 1 8 . 1 1 44 44 HIS N N 351 118.497 118.497 118.041 0.456 18296 3174 1 8 . 1 1 44 44 HIS HA H 351 4.892 4.892 5.034 -0.142 18296 3175 1 8 . 1 1 44 44 HIS C C 351 176.371 176.371 176.754 -0.383 18296 3176 1 8 . 1 1 44 44 HIS CA C 351 58.019 58.019 55.174 2.845 18296 3177 1 8 . 1 1 44 44 HIS CB C 351 31.716 31.716 31.725 -0.009 18296 3178 1 8 . 1 1 44 44 HIS H H 351 9.335 9.335 8.583 0.752 18296 3179 1 8 . 1 1 45 45 VAL N N 352 124.407 124.407 121.412 2.995 18296 3180 1 8 . 1 1 45 45 VAL HA H 352 3.476 3.476 3.679 -0.203 18296 3181 1 8 . 1 1 45 45 VAL C C 352 175.305 175.305 177.562 -2.257 18296 3182 1 8 . 1 1 45 45 VAL CA C 352 67.359 67.359 67.227 0.132 18296 3183 1 8 . 1 1 45 45 VAL CB C 352 31.627 31.627 31.816 -0.188 18296 3184 1 8 . 1 1 45 45 VAL H H 352 8.654 8.654 8.194 0.460 18296 3185 1 8 . 1 1 46 46 THR N N 353 111.166 111.166 114.969 -3.803 18296 3186 1 8 . 1 1 46 46 THR HA H 353 3.997 3.997 3.984 0.013 18296 3187 1 8 . 1 1 46 46 THR C C 353 175.010 175.010 176.074 -1.064 18296 3188 1 8 . 1 1 46 46 THR CA C 353 65.008 65.008 66.384 -1.376 18296 3189 1 8 . 1 1 46 46 THR CB C 353 67.830 67.830 68.638 -0.808 18296 3190 1 8 . 1 1 46 46 THR H H 353 8.370 8.370 8.430 -0.060 18296 3191 1 8 . 1 1 47 47 CYS N N 354 120.975 120.975 119.518 1.457 18296 3192 1 8 . 1 1 47 47 CYS HA H 354 3.762 3.762 4.250 -0.488 18296 3193 1 8 . 1 1 47 47 CYS C C 354 175.912 175.912 177.255 -1.343 18296 3194 1 8 . 1 1 47 47 CYS CA C 354 63.372 63.372 62.526 0.846 18296 3195 1 8 . 1 1 47 47 CYS CB C 354 29.076 29.076 25.925 3.151 18296 3196 1 8 . 1 1 47 47 CYS H H 354 6.668 6.668 8.558 -1.890 18296 3197 1 8 . 1 1 48 48 ALA N N 355 123.247 123.247 122.538 0.709 18296 3198 1 8 . 1 1 48 48 ALA HA H 355 3.511 3.511 4.113 -0.602 18296 3199 1 8 . 1 1 48 48 ALA C C 355 174.031 174.031 179.448 -5.417 18296 3200 1 8 . 1 1 48 48 ALA CA C 355 55.045 55.045 54.796 0.249 18296 3201 1 8 . 1 1 48 48 ALA CB C 355 19.962 19.962 18.926 1.036 18296 3202 1 8 . 1 1 48 48 ALA H H 355 8.481 8.481 8.270 0.211 18296 3203 1 8 . 1 1 49 49 GLN N N 356 118.150 118.150 118.488 -0.338 18296 3204 1 8 . 1 1 49 49 GLN HA H 356 4.003 4.003 4.007 -0.004 18296 3205 1 8 . 1 1 49 49 GLN C C 356 173.755 173.755 178.573 -4.818 18296 3206 1 8 . 1 1 49 49 GLN CA C 356 58.728 58.728 58.811 -0.083 18296 3207 1 8 . 1 1 49 49 GLN CB C 356 28.196 28.196 28.866 -0.670 18296 3208 1 8 . 1 1 49 49 GLN H H 356 8.055 8.055 8.429 -0.374 18296 3209 1 8 . 1 1 50 50 LYS N N 357 120.248 120.248 117.896 2.352 18296 3210 1 8 . 1 1 50 50 LYS HA H 357 3.866 3.866 4.168 -0.302 18296 3211 1 8 . 1 1 50 50 LYS C C 357 175.624 175.624 178.164 -2.540 18296 3212 1 8 . 1 1 50 50 LYS CA C 357 58.989 58.989 57.808 1.181 18296 3213 1 8 . 1 1 50 50 LYS CB C 357 32.377 32.377 32.685 -0.308 18296 3214 1 8 . 1 1 50 50 LYS H H 357 7.628 7.628 8.138 -0.510 18296 3215 1 8 . 1 1 51 51 ALA N N 358 118.343 118.343 120.025 -1.682 18296 3216 1 8 . 1 1 51 51 ALA HA H 358 4.138 4.138 4.226 -0.088 18296 3217 1 8 . 1 1 51 51 ALA C C 358 176.132 176.132 178.161 -2.029 18296 3218 1 8 . 1 1 51 51 ALA CA C 358 52.263 52.263 53.211 -0.948 18296 3219 1 8 . 1 1 51 51 ALA CB C 358 19.690 19.690 19.746 -0.056 18296 3220 1 8 . 1 1 51 51 ALA H H 358 7.558 7.558 7.349 0.209 18296 3221 1 8 . 1 1 52 52 GLY N N 359 107.058 107.058 107.068 -0.010 18296 3222 1 8 . 1 1 52 52 GLY C C 359 178.221 178.221 173.537 4.684 18296 3223 1 8 . 1 1 52 52 GLY CA C 359 46.323 46.323 44.937 1.386 18296 3224 1 8 . 1 1 52 52 GLY H H 359 7.481 7.481 8.099 -0.618 18296 3225 1 8 . 1 1 53 53 LEU N N 360 118.335 118.335 115.968 2.367 18296 3226 1 8 . 1 1 53 53 LEU HA H 360 4.002 4.002 4.970 -0.968 18296 3227 1 8 . 1 1 53 53 LEU C C 360 176.917 176.917 176.051 0.866 18296 3228 1 8 . 1 1 53 53 LEU CA C 360 54.926 54.926 52.411 2.515 18296 3229 1 8 . 1 1 53 53 LEU CB C 360 39.949 39.949 43.295 -3.346 18296 3230 1 8 . 1 1 53 53 LEU H H 360 7.502 7.502 7.285 0.217 18296 3231 1 8 . 1 1 54 54 TYR N N 361 124.191 124.191 120.733 3.458 18296 3232 1 8 . 1 1 54 54 TYR HA H 361 4.024 4.024 4.536 -0.512 18296 3233 1 8 . 1 1 54 54 TYR C C 361 178.584 178.584 174.848 3.736 18296 3234 1 8 . 1 1 54 54 TYR CA C 361 59.385 59.385 59.146 0.239 18296 3235 1 8 . 1 1 54 54 TYR CB C 361 39.068 39.068 39.541 -0.473 18296 3236 1 8 . 1 1 54 54 TYR H H 361 9.307 9.307 8.757 0.550 18296 3237 1 8 . 1 1 55 55 MET N N 362 127.473 127.473 127.764 -0.291 18296 3238 1 8 . 1 1 55 55 MET HA H 362 4.953 4.953 4.552 0.401 18296 3239 1 8 . 1 1 55 55 MET C C 362 179.342 179.342 174.372 4.970 18296 3240 1 8 . 1 1 55 55 MET CA C 362 54.918 54.918 53.848 1.070 18296 3241 1 8 . 1 1 55 55 MET CB C 362 35.857 35.857 34.888 0.969 18296 3242 1 8 . 1 1 55 55 MET H H 362 7.575 7.575 7.857 -0.282 18296 3243 1 8 . 1 1 56 56 LYS N N 363 124.429 124.429 125.498 -1.069 18296 3244 1 8 . 1 1 56 56 LYS HA H 363 4.339 4.339 4.178 0.161 18296 3245 1 8 . 1 1 56 56 LYS C C 363 178.541 178.541 175.509 3.032 18296 3246 1 8 . 1 1 56 56 LYS CA C 363 54.939 54.939 56.123 -1.184 18296 3247 1 8 . 1 1 56 56 LYS CB C 363 35.977 35.977 33.867 2.110 18296 3248 1 8 . 1 1 56 56 LYS H H 363 8.575 8.575 7.909 0.666 18296 3249 1 8 . 1 1 57 57 MET N N 364 123.350 123.350 122.498 0.852 18296 3250 1 8 . 1 1 57 57 MET HA H 364 4.801 4.801 4.851 -0.050 18296 3251 1 8 . 1 1 57 57 MET C C 364 178.016 178.016 175.546 2.470 18296 3252 1 8 . 1 1 57 57 MET CA C 364 54.111 54.111 54.657 -0.546 18296 3253 1 8 . 1 1 57 57 MET H H 364 8.484 8.484 8.405 0.079 18296 3254 1 8 . 1 1 58 58 GLU N N 365 121.319 121.319 121.065 0.254 18296 3255 1 8 . 1 1 58 58 GLU H H 365 8.193 8.193 8.920 -0.727 18296 3256 1 8 . 1 1 59 59 PRO HA H 366 4.665 4.665 4.381 0.284 18296 3257 1 8 . 1 1 59 59 PRO C C 366 176.742 176.742 176.448 0.294 18296 3258 1 8 . 1 1 59 59 PRO CA C 366 62.524 62.524 62.161 0.363 18296 3259 1 8 . 1 1 59 59 PRO CB C 366 32.125 32.125 32.279 -0.154 18296 3260 1 8 . 1 1 60 60 VAL N N 367 122.754 122.754 118.078 4.676 18296 3261 1 8 . 1 1 60 60 VAL HA H 367 4.105 4.105 4.453 -0.348 18296 3262 1 8 . 1 1 60 60 VAL C C 367 178.435 178.435 174.571 3.864 18296 3263 1 8 . 1 1 60 60 VAL CA C 367 61.529 61.529 60.915 0.614 18296 3264 1 8 . 1 1 60 60 VAL CB C 367 34.057 34.057 33.056 1.001 18296 3265 1 8 . 1 1 60 60 VAL H H 367 8.509 8.509 8.637 -0.128 18296 3266 1 8 . 1 1 61 61 LYS N N 368 126.381 126.381 125.096 1.285 18296 3267 1 8 . 1 1 61 61 LYS HA H 368 4.180 4.180 4.743 -0.563 18296 3268 1 8 . 1 1 61 61 LYS C C 368 177.499 177.499 176.628 0.871 18296 3269 1 8 . 1 1 61 61 LYS CA C 368 56.047 56.047 54.795 1.252 18296 3270 1 8 . 1 1 61 61 LYS CB C 368 33.313 33.313 34.270 -0.957 18296 3271 1 8 . 1 1 61 61 LYS H H 368 8.379 8.379 8.038 0.341 18296 3272 1 8 . 1 1 62 62 GLU N N 369 123.927 123.927 116.899 7.028 18296 3273 1 8 . 1 1 62 62 GLU HA H 369 4.246 4.246 3.984 0.262 18296 3274 1 8 . 1 1 62 62 GLU C C 369 177.861 177.861 177.603 0.258 18296 3275 1 8 . 1 1 62 62 GLU CA C 369 55.596 55.596 57.081 -1.485 18296 3276 1 8 . 1 1 62 62 GLU CB C 369 31.289 31.289 30.150 1.139 18296 3277 1 8 . 1 1 62 62 GLU H H 369 8.355 8.355 8.265 0.089 18296 3278 1 8 . 1 1 63 63 LEU N N 370 124.406 124.406 120.122 4.284 18296 3279 1 8 . 1 1 63 63 LEU HA H 370 4.356 4.356 4.246 0.110 18296 3280 1 8 . 1 1 63 63 LEU C C 370 176.026 176.026 177.177 -1.151 18296 3281 1 8 . 1 1 63 63 LEU CA C 370 55.223 55.223 57.413 -2.190 18296 3282 1 8 . 1 1 63 63 LEU CB C 370 42.061 42.061 42.341 -0.280 18296 3283 1 8 . 1 1 63 63 LEU H H 370 8.419 8.419 8.475 -0.056 18296 3284 1 8 . 1 1 64 64 THR N N 371 114.722 114.722 112.815 1.907 18296 3285 1 8 . 1 1 64 64 THR HA H 371 4.306 4.306 4.411 -0.105 18296 3286 1 8 . 1 1 64 64 THR C C 371 178.158 178.158 174.211 3.947 18296 3287 1 8 . 1 1 64 64 THR CA C 371 61.196 61.196 62.272 -1.076 18296 3288 1 8 . 1 1 64 64 THR CB C 371 70.416 70.416 69.219 1.197 18296 3289 1 8 . 1 1 64 64 THR H H 371 7.966 7.966 7.621 0.345 18296 3290 1 8 . 1 1 65 65 GLY N N 372 111.711 111.711 114.645 -2.934 18296 3291 1 8 . 1 1 65 65 GLY C C 372 178.512 178.512 173.643 4.869 18296 3292 1 8 . 1 1 65 65 GLY CA C 372 46.227 46.227 44.665 1.562 18296 3293 1 8 . 1 1 65 65 GLY H H 372 8.565 8.565 8.131 0.434 18296 3294 1 8 . 1 1 66 66 GLY N N 373 108.771 108.771 109.996 -1.225 18296 3295 1 8 . 1 1 66 66 GLY C C 373 178.999 178.999 173.706 5.293 18296 3296 1 8 . 1 1 66 66 GLY CA C 373 45.287 45.287 43.991 1.296 18296 3297 1 8 . 1 1 66 66 GLY H H 373 8.227 8.227 8.647 -0.420 18296 3298 1 8 . 1 1 67 67 GLY N N 374 108.901 108.901 107.323 1.578 18296 3299 1 8 . 1 1 67 67 GLY C C 374 179.721 179.721 172.358 7.363 18296 3300 1 8 . 1 1 67 67 GLY CA C 374 44.987 44.987 44.981 0.006 18296 3301 1 8 . 1 1 67 67 GLY H H 374 7.876 7.876 7.503 0.373 18296 3302 1 8 . 1 1 68 68 THR N N 375 114.505 114.505 112.669 1.836 18296 3303 1 8 . 1 1 68 68 THR HA H 375 4.450 4.450 4.863 -0.413 18296 3304 1 8 . 1 1 68 68 THR C C 375 178.997 178.997 175.403 3.594 18296 3305 1 8 . 1 1 68 68 THR CA C 375 61.900 61.900 60.424 1.476 18296 3306 1 8 . 1 1 68 68 THR CB C 375 70.047 70.047 71.297 -1.250 18296 3307 1 8 . 1 1 68 68 THR H H 375 8.112 8.112 8.147 -0.035 18296 3308 1 8 . 1 1 69 69 THR N N 376 118.054 118.054 115.357 2.697 18296 3309 1 8 . 1 1 69 69 THR HA H 376 4.302 4.302 3.801 0.501 18296 3310 1 8 . 1 1 69 69 THR C C 376 180.403 180.403 174.181 6.222 18296 3311 1 8 . 1 1 69 69 THR CA C 376 61.114 61.114 64.955 -3.841 18296 3312 1 8 . 1 1 69 69 THR CB C 376 70.422 70.422 68.083 2.339 18296 3313 1 8 . 1 1 69 69 THR H H 376 8.259 8.259 8.726 -0.467 18296 3314 1 8 . 1 1 70 70 PHE N N 377 122.009 122.009 124.105 -2.096 18296 3315 1 8 . 1 1 70 70 PHE HA H 377 4.910 4.910 4.843 0.067 18296 3316 1 8 . 1 1 70 70 PHE C C 377 177.972 177.972 174.363 3.609 18296 3317 1 8 . 1 1 70 70 PHE CA C 377 57.227 57.227 57.028 0.199 18296 3318 1 8 . 1 1 70 70 PHE CB C 377 40.873 40.873 40.995 -0.122 18296 3319 1 8 . 1 1 70 70 PHE H H 377 8.351 8.351 7.984 0.367 18296 3320 1 8 . 1 1 71 71 SER N N 378 117.853 117.853 122.021 -4.168 18296 3321 1 8 . 1 1 71 71 SER HA H 378 4.493 4.493 4.579 -0.086 18296 3322 1 8 . 1 1 71 71 SER C C 378 180.063 180.063 172.564 7.499 18296 3323 1 8 . 1 1 71 71 SER CA C 378 57.276 57.276 57.762 -0.486 18296 3324 1 8 . 1 1 71 71 SER CB C 378 64.612 64.612 64.325 0.287 18296 3325 1 8 . 1 1 71 71 SER H H 378 8.519 8.519 8.338 0.181 18296 3326 1 8 . 1 1 72 72 VAL N N 379 120.162 120.162 123.571 -3.409 18296 3327 1 8 . 1 1 72 72 VAL HA H 379 4.441 4.441 4.071 0.370 18296 3328 1 8 . 1 1 72 72 VAL C C 379 178.192 178.192 174.785 3.407 18296 3329 1 8 . 1 1 72 72 VAL CA C 379 61.369 61.369 61.354 0.015 18296 3330 1 8 . 1 1 72 72 VAL CB C 379 33.944 33.944 32.618 1.326 18296 3331 1 8 . 1 1 72 72 VAL H H 379 8.277 8.277 8.199 0.078 18296 3332 1 8 . 1 1 73 73 ARG N N 380 126.538 126.538 125.546 0.992 18296 3333 1 8 . 1 1 73 73 ARG HA H 380 4.430 4.430 4.567 -0.137 18296 3334 1 8 . 1 1 73 73 ARG C C 380 177.524 177.524 174.304 3.220 18296 3335 1 8 . 1 1 73 73 ARG CA C 380 54.744 54.744 54.909 -0.165 18296 3336 1 8 . 1 1 73 73 ARG CB C 380 32.635 32.635 33.390 -0.755 18296 3337 1 8 . 1 1 73 73 ARG H H 380 8.727 8.727 8.458 0.269 18296 3338 1 8 . 1 1 74 74 LYS N N 381 126.485 126.485 121.907 4.578 18296 3339 1 8 . 1 1 74 74 LYS HA H 381 4.613 4.613 4.739 -0.126 18296 3340 1 8 . 1 1 74 74 LYS C C 381 178.050 178.050 175.764 2.286 18296 3341 1 8 . 1 1 74 74 LYS CA C 381 56.325 56.325 56.134 0.191 18296 3342 1 8 . 1 1 74 74 LYS CB C 381 33.149 33.149 36.293 -3.144 18296 3343 1 8 . 1 1 74 74 LYS H H 381 8.636 8.636 8.465 0.171 18296 3344 1 8 . 1 1 75 75 THR N N 382 120.767 120.767 119.756 1.011 18296 3345 1 8 . 1 1 75 75 THR HA H 382 3.791 3.791 4.179 -0.388 18296 3346 1 8 . 1 1 75 75 THR C C 382 181.578 181.578 172.770 8.808 18296 3347 1 8 . 1 1 75 75 THR CA C 382 61.703 61.703 61.335 0.368 18296 3348 1 8 . 1 1 75 75 THR CB C 382 70.771 70.771 69.315 1.456 18296 3349 1 8 . 1 1 75 75 THR H H 382 8.544 8.544 8.207 0.337 18296 3350 1 8 . 1 1 76 76 ALA N N 383 126.390 126.390 126.829 -0.439 18296 3351 1 8 . 1 1 76 76 ALA HA H 383 5.358 5.358 4.585 0.773 18296 3352 1 8 . 1 1 76 76 ALA C C 383 178.931 178.931 175.855 3.076 18296 3353 1 8 . 1 1 76 76 ALA CA C 383 50.669 50.669 50.959 -0.290 18296 3354 1 8 . 1 1 76 76 ALA CB C 383 24.682 24.682 20.937 3.745 18296 3355 1 8 . 1 1 76 76 ALA H H 383 7.981 7.981 7.891 0.090 18296 3356 1 8 . 1 1 77 77 TYR N N 384 116.182 116.182 120.532 -4.350 18296 3357 1 8 . 1 1 77 77 TYR HA H 384 5.920 5.920 4.895 1.025 18296 3358 1 8 . 1 1 77 77 TYR C C 384 177.384 177.384 176.564 0.820 18296 3359 1 8 . 1 1 77 77 TYR CA C 384 56.234 56.234 57.211 -0.977 18296 3360 1 8 . 1 1 77 77 TYR CB C 384 43.201 43.201 41.251 1.950 18296 3361 1 8 . 1 1 77 77 TYR H H 384 7.899 7.899 8.212 -0.313 18296 3362 1 8 . 1 1 78 78 CYS N N 385 121.146 121.146 117.711 3.435 18296 3363 1 8 . 1 1 78 78 CYS HA H 385 4.312 4.312 3.995 0.317 18296 3364 1 8 . 1 1 78 78 CYS C C 385 178.543 178.543 176.001 2.542 18296 3365 1 8 . 1 1 78 78 CYS CA C 385 58.293 58.293 58.007 0.286 18296 3366 1 8 . 1 1 78 78 CYS CB C 385 29.815 29.815 28.875 0.940 18296 3367 1 8 . 1 1 78 78 CYS H H 385 9.855 9.855 8.530 1.325 18296 3368 1 8 . 1 1 79 79 ASP N N 386 115.334 115.334 120.824 -5.490 18296 3369 1 8 . 1 1 79 79 ASP HA H 386 3.946 3.946 4.572 -0.626 18296 3370 1 8 . 1 1 79 79 ASP C C 386 175.510 175.510 177.538 -2.028 18296 3371 1 8 . 1 1 79 79 ASP CA C 386 57.118 57.118 56.491 0.627 18296 3372 1 8 . 1 1 79 79 ASP CB C 386 40.495 40.495 41.550 -1.055 18296 3373 1 8 . 1 1 79 79 ASP H H 386 7.657 7.657 8.155 -0.498 18296 3374 1 8 . 1 1 80 80 VAL N N 387 119.872 119.872 113.997 5.875 18296 3375 1 8 . 1 1 80 80 VAL HA H 387 3.579 3.579 4.123 -0.544 18296 3376 1 8 . 1 1 80 80 VAL C C 387 176.437 176.437 175.692 0.745 18296 3377 1 8 . 1 1 80 80 VAL CA C 387 64.272 64.272 62.529 1.743 18296 3378 1 8 . 1 1 80 80 VAL CB C 387 31.798 31.798 30.296 1.502 18296 3379 1 8 . 1 1 80 80 VAL H H 387 7.601 7.601 7.595 0.006 18296 3380 1 8 . 1 1 81 81 HIS N N 388 119.244 119.244 119.013 0.231 18296 3381 1 8 . 1 1 81 81 HIS HA H 388 4.632 4.632 4.521 0.111 18296 3382 1 8 . 1 1 81 81 HIS C C 388 180.644 180.644 176.237 4.407 18296 3383 1 8 . 1 1 81 81 HIS CA C 388 56.212 56.212 58.542 -2.330 18296 3384 1 8 . 1 1 81 81 HIS CB C 388 31.774 31.774 31.744 0.030 18296 3385 1 8 . 1 1 81 81 HIS H H 388 7.385 7.385 7.667 -0.282 18296 3386 1 8 . 1 1 82 82 THR N N 389 117.899 117.899 115.210 2.689 18296 3387 1 8 . 1 1 82 82 THR HA H 389 3.733 3.733 4.324 -0.591 18296 3388 1 8 . 1 1 82 82 THR C C 389 181.155 181.155 174.354 6.801 18296 3389 1 8 . 1 1 82 82 THR CA C 389 61.844 61.844 65.102 -3.258 18296 3390 1 8 . 1 1 82 82 THR CB C 389 70.285 70.285 67.874 2.411 18296 3391 1 8 . 1 1 82 82 THR H H 389 7.133 7.133 7.600 -0.467 18296 3392 1 8 . 1 1 83 83 PRO HA H 390 4.192 4.192 4.414 -0.222 18296 3393 1 8 . 1 1 83 83 PRO CA C 390 61.509 61.509 63.919 -2.410 18296 3394 1 8 . 1 1 83 83 PRO CB C 390 30.773 30.773 30.360 0.413 18296 3395 1 8 . 1 1 84 84 PRO HA H 391 4.220 4.220 4.421 -0.201 18296 3396 1 8 . 1 1 84 84 PRO C C 391 175.949 175.949 176.480 -0.531 18296 3397 1 8 . 1 1 84 84 PRO CA C 391 63.032 63.032 62.771 0.261 18296 3398 1 8 . 1 1 84 84 PRO CB C 391 31.983 31.983 31.918 0.065 18296 3399 1 8 . 1 1 85 85 GLY N N 392 109.626 109.626 111.234 -1.608 18296 3400 1 8 . 1 1 85 85 GLY C C 392 179.223 179.223 173.395 5.828 18296 3401 1 8 . 1 1 85 85 GLY CA C 392 45.359 45.359 44.637 0.722 18296 3402 1 8 . 1 1 85 85 GLY H H 392 8.367 8.367 8.194 0.173 18296 3403 1 8 . 1 1 86 86 SER N N 393 115.675 115.675 115.749 -0.074 18296 3404 1 8 . 1 1 86 86 SER HA H 393 4.354 4.354 4.346 0.008 18296 3405 1 8 . 1 1 86 86 SER C C 393 179.569 179.569 173.912 5.657 18296 3406 1 8 . 1 1 86 86 SER CA C 393 58.521 58.521 58.283 0.238 18296 3407 1 8 . 1 1 86 86 SER CB C 393 63.913 63.913 63.346 0.566 18296 3408 1 8 . 1 1 86 86 SER H H 393 8.022 8.022 8.542 -0.520 18296 3409 1 9 . 1 1 10 10 ASN N N 317 120.101 120.101 120.217 -0.116 18296 3410 1 9 . 1 1 10 10 ASN HA H 317 4.501 4.501 5.014 -0.513 18296 3411 1 9 . 1 1 10 10 ASN C C 317 179.015 179.015 174.440 4.575 18296 3412 1 9 . 1 1 10 10 ASN CA C 317 53.191 53.191 53.517 -0.325 18296 3413 1 9 . 1 1 10 10 ASN CB C 317 38.650 38.650 39.658 -1.008 18296 3414 1 9 . 1 1 10 10 ASN H H 317 8.415 8.415 8.887 -0.472 18296 3415 1 9 . 1 1 11 11 ILE N N 318 122.869 122.869 122.505 0.364 18296 3416 1 9 . 1 1 11 11 ILE HA H 318 4.250 4.250 4.413 -0.163 18296 3417 1 9 . 1 1 11 11 ILE C C 318 179.506 179.506 173.709 5.797 18296 3418 1 9 . 1 1 11 11 ILE CA C 318 58.332 58.332 58.276 0.056 18296 3419 1 9 . 1 1 11 11 ILE CB C 318 38.713 38.713 38.705 0.008 18296 3420 1 9 . 1 1 11 11 ILE H H 318 7.924 7.924 7.615 0.309 18296 3421 1 9 . 1 1 12 12 PRO HA H 319 4.359 4.359 4.738 -0.379 18296 3422 1 9 . 1 1 12 12 PRO CA C 319 61.487 61.487 61.682 -0.195 18296 3423 1 9 . 1 1 12 12 PRO CB C 319 30.960 30.960 31.214 -0.254 18296 3424 1 9 . 1 1 13 13 PRO HA H 320 3.968 3.968 4.376 -0.408 18296 3425 1 9 . 1 1 13 13 PRO C C 320 176.730 176.730 176.897 -0.167 18296 3426 1 9 . 1 1 13 13 PRO CA C 320 62.874 62.874 64.450 -1.576 18296 3427 1 9 . 1 1 13 13 PRO CB C 320 31.948 31.948 32.176 -0.228 18296 3428 1 9 . 1 1 14 14 ALA N N 321 123.469 123.469 117.346 6.123 18296 3429 1 9 . 1 1 14 14 ALA HA H 321 3.952 3.952 4.593 -0.641 18296 3430 1 9 . 1 1 14 14 ALA C C 321 175.208 175.208 175.713 -0.505 18296 3431 1 9 . 1 1 14 14 ALA CA C 321 52.876 52.876 52.566 0.310 18296 3432 1 9 . 1 1 14 14 ALA CB C 321 18.896 18.896 18.951 -0.055 18296 3433 1 9 . 1 1 14 14 ALA H H 321 8.108 8.108 8.043 0.065 18296 3434 1 9 . 1 1 15 15 ARG N N 322 118.725 118.725 119.800 -1.075 18296 3435 1 9 . 1 1 15 15 ARG HA H 322 3.943 3.943 4.527 -0.584 18296 3436 1 9 . 1 1 15 15 ARG C C 322 176.870 176.870 175.742 1.128 18296 3437 1 9 . 1 1 15 15 ARG CA C 322 56.737 56.737 55.547 1.190 18296 3438 1 9 . 1 1 15 15 ARG CB C 322 30.230 30.230 30.167 0.063 18296 3439 1 9 . 1 1 15 15 ARG H H 322 8.077 8.077 8.276 -0.199 18296 3440 1 9 . 1 1 16 16 TRP N N 323 120.113 120.113 119.036 1.077 18296 3441 1 9 . 1 1 16 16 TRP HA H 323 4.471 4.471 4.862 -0.391 18296 3442 1 9 . 1 1 16 16 TRP C C 323 177.322 177.322 174.806 2.516 18296 3443 1 9 . 1 1 16 16 TRP CA C 323 57.143 57.143 55.475 1.668 18296 3444 1 9 . 1 1 16 16 TRP CB C 323 29.192 29.192 29.234 -0.042 18296 3445 1 9 . 1 1 16 16 TRP H H 323 7.634 7.634 7.733 -0.099 18296 3446 1 9 . 1 1 17 17 LYS N N 324 121.400 121.400 121.452 -0.052 18296 3447 1 9 . 1 1 17 17 LYS HA H 324 3.951 3.951 4.350 -0.399 18296 3448 1 9 . 1 1 17 17 LYS C C 324 179.457 179.457 175.780 3.677 18296 3449 1 9 . 1 1 17 17 LYS CA C 324 56.502 56.502 55.109 1.393 18296 3450 1 9 . 1 1 17 17 LYS CB C 324 32.867 32.867 35.239 -2.372 18296 3451 1 9 . 1 1 17 17 LYS H H 324 7.735 7.735 7.970 -0.235 18296 3452 1 9 . 1 1 18 18 LEU N N 325 121.064 121.064 120.061 1.003 18296 3453 1 9 . 1 1 18 18 LEU HA H 325 4.141 4.141 4.385 -0.244 18296 3454 1 9 . 1 1 18 18 LEU C C 325 176.781 176.781 175.818 0.963 18296 3455 1 9 . 1 1 18 18 LEU CA C 325 54.574 54.574 55.320 -0.746 18296 3456 1 9 . 1 1 18 18 LEU CB C 325 42.252 42.252 42.355 -0.103 18296 3457 1 9 . 1 1 18 18 LEU H H 325 7.708 7.708 8.194 -0.486 18296 3458 1 9 . 1 1 19 19 THR N N 326 117.252 117.252 115.885 1.367 18296 3459 1 9 . 1 1 19 19 THR HA H 326 3.935 3.935 4.371 -0.436 18296 3460 1 9 . 1 1 19 19 THR C C 326 180.854 180.854 173.578 7.276 18296 3461 1 9 . 1 1 19 19 THR CA C 326 61.977 61.977 61.197 0.780 18296 3462 1 9 . 1 1 19 19 THR CB C 326 70.166 70.166 71.177 -1.010 18296 3463 1 9 . 1 1 19 19 THR H H 326 7.915 7.915 7.978 -0.063 18296 3464 1 9 . 1 1 20 20 CYS N N 327 127.254 127.254 124.742 2.512 18296 3465 1 9 . 1 1 20 20 CYS HA H 327 4.324 4.324 4.645 -0.321 18296 3466 1 9 . 1 1 20 20 CYS C C 327 175.898 175.898 176.172 -0.274 18296 3467 1 9 . 1 1 20 20 CYS CA C 327 57.928 57.928 58.470 -0.542 18296 3468 1 9 . 1 1 20 20 CYS CB C 327 31.298 31.298 27.706 3.592 18296 3469 1 9 . 1 1 20 20 CYS H H 327 8.055 8.055 8.708 -0.653 18296 3470 1 9 . 1 1 21 21 TYR N N 328 129.752 129.752 123.093 6.659 18296 3471 1 9 . 1 1 21 21 TYR HA H 328 4.488 4.488 4.507 -0.019 18296 3472 1 9 . 1 1 21 21 TYR C C 328 178.625 178.625 176.349 2.276 18296 3473 1 9 . 1 1 21 21 TYR CA C 328 58.951 58.951 59.008 -0.057 18296 3474 1 9 . 1 1 21 21 TYR CB C 328 37.712 37.712 38.010 -0.298 18296 3475 1 9 . 1 1 21 21 TYR H H 328 9.082 9.082 7.732 1.350 18296 3476 1 9 . 1 1 22 22 LEU N N 329 124.057 124.057 118.257 5.800 18296 3477 1 9 . 1 1 22 22 LEU HA H 329 3.749 3.749 4.364 -0.615 18296 3478 1 9 . 1 1 22 22 LEU C C 329 176.268 176.268 176.818 -0.550 18296 3479 1 9 . 1 1 22 22 LEU CA C 329 56.514 56.514 55.063 1.451 18296 3480 1 9 . 1 1 22 22 LEU CB C 329 42.975 42.975 41.993 0.982 18296 3481 1 9 . 1 1 22 22 LEU H H 329 8.140 8.140 7.418 0.722 18296 3482 1 9 . 1 1 23 23 CYS N N 330 117.734 117.734 116.123 1.611 18296 3483 1 9 . 1 1 23 23 CYS HA H 330 4.741 4.741 4.694 0.047 18296 3484 1 9 . 1 1 23 23 CYS C C 330 177.769 177.769 173.162 4.607 18296 3485 1 9 . 1 1 23 23 CYS CA C 330 58.459 58.459 57.678 0.781 18296 3486 1 9 . 1 1 23 23 CYS CB C 330 30.918 30.918 31.811 -0.894 18296 3487 1 9 . 1 1 23 23 CYS H H 330 7.971 7.971 6.992 0.979 18296 3488 1 9 . 1 1 24 24 LYS N N 331 118.437 118.437 118.591 -0.154 18296 3489 1 9 . 1 1 24 24 LYS HA H 331 3.980 3.980 4.449 -0.469 18296 3490 1 9 . 1 1 24 24 LYS C C 331 178.178 178.178 175.437 2.741 18296 3491 1 9 . 1 1 24 24 LYS CA C 331 57.520 57.520 56.421 1.099 18296 3492 1 9 . 1 1 24 24 LYS CB C 331 29.278 29.278 32.871 -3.593 18296 3493 1 9 . 1 1 24 24 LYS H H 331 7.842 7.842 8.384 -0.542 18296 3494 1 9 . 1 1 25 25 GLN N N 332 118.445 118.445 119.269 -0.824 18296 3495 1 9 . 1 1 25 25 GLN HA H 332 4.574 4.574 4.527 0.047 18296 3496 1 9 . 1 1 25 25 GLN C C 332 177.619 177.619 174.803 2.816 18296 3497 1 9 . 1 1 25 25 GLN CA C 332 54.362 54.362 55.059 -0.697 18296 3498 1 9 . 1 1 25 25 GLN CB C 332 31.843 31.843 28.967 2.876 18296 3499 1 9 . 1 1 25 25 GLN H H 332 8.306 8.306 8.177 0.129 18296 3500 1 9 . 1 1 26 26 LYS N N 333 122.851 122.851 121.980 0.871 18296 3501 1 9 . 1 1 26 26 LYS HA H 333 4.222 4.222 4.171 0.051 18296 3502 1 9 . 1 1 26 26 LYS C C 333 175.456 175.456 176.613 -1.157 18296 3503 1 9 . 1 1 26 26 LYS CA C 333 57.729 57.729 56.602 1.127 18296 3504 1 9 . 1 1 26 26 LYS CB C 333 32.925 32.925 31.220 1.705 18296 3505 1 9 . 1 1 26 26 LYS H H 333 8.545 8.545 8.449 0.096 18296 3506 1 9 . 1 1 27 27 GLY N N 334 107.216 107.216 113.794 -6.578 18296 3507 1 9 . 1 1 27 27 GLY C C 334 180.017 180.017 173.723 6.294 18296 3508 1 9 . 1 1 27 27 GLY CA C 334 45.559 45.559 45.053 0.506 18296 3509 1 9 . 1 1 27 27 GLY H H 334 8.348 8.348 8.554 -0.206 18296 3510 1 9 . 1 1 28 28 VAL N N 335 117.437 117.437 117.312 0.125 18296 3511 1 9 . 1 1 28 28 VAL HA H 335 4.133 4.133 4.508 -0.375 18296 3512 1 9 . 1 1 28 28 VAL C C 335 177.439 177.439 175.554 1.885 18296 3513 1 9 . 1 1 28 28 VAL CA C 335 61.502 61.502 62.382 -0.880 18296 3514 1 9 . 1 1 28 28 VAL CB C 335 33.563 33.563 32.584 0.979 18296 3515 1 9 . 1 1 28 28 VAL H H 335 7.867 7.867 8.265 -0.398 18296 3516 1 9 . 1 1 29 29 GLY N N 336 110.723 110.723 110.419 0.304 18296 3517 1 9 . 1 1 29 29 GLY C C 336 180.088 180.088 173.593 6.495 18296 3518 1 9 . 1 1 29 29 GLY CA C 336 44.344 44.344 46.013 -1.669 18296 3519 1 9 . 1 1 29 29 GLY H H 336 8.186 8.186 8.499 -0.313 18296 3520 1 9 . 1 1 30 30 ALA N N 337 122.643 122.643 122.859 -0.216 18296 3521 1 9 . 1 1 30 30 ALA HA H 337 4.193 4.193 4.665 -0.472 18296 3522 1 9 . 1 1 30 30 ALA C C 337 175.274 175.274 175.189 0.085 18296 3523 1 9 . 1 1 30 30 ALA CA C 337 52.904 52.904 52.073 0.831 18296 3524 1 9 . 1 1 30 30 ALA CB C 337 19.677 19.677 20.454 -0.777 18296 3525 1 9 . 1 1 30 30 ALA H H 337 8.269 8.269 7.823 0.446 18296 3526 1 9 . 1 1 31 31 SER N N 338 117.644 117.644 116.881 0.763 18296 3527 1 9 . 1 1 31 31 SER HA H 338 4.775 4.775 4.656 0.119 18296 3528 1 9 . 1 1 31 31 SER C C 338 180.923 180.923 173.275 7.648 18296 3529 1 9 . 1 1 31 31 SER CA C 338 57.406 57.406 57.485 -0.079 18296 3530 1 9 . 1 1 31 31 SER CB C 338 65.388 65.388 64.702 0.686 18296 3531 1 9 . 1 1 31 31 SER H H 338 8.415 8.415 8.352 0.063 18296 3532 1 9 . 1 1 32 32 ILE N N 339 121.240 121.240 124.859 -3.619 18296 3533 1 9 . 1 1 32 32 ILE HA H 339 4.123 4.123 4.161 -0.038 18296 3534 1 9 . 1 1 32 32 ILE C C 339 181.302 181.302 173.654 7.648 18296 3535 1 9 . 1 1 32 32 ILE CA C 339 59.768 59.768 59.789 -0.021 18296 3536 1 9 . 1 1 32 32 ILE CB C 339 41.252 41.252 40.421 0.831 18296 3537 1 9 . 1 1 32 32 ILE H H 339 8.522 8.522 8.593 -0.071 18296 3538 1 9 . 1 1 33 33 GLN N N 340 120.384 120.384 127.276 -6.892 18296 3539 1 9 . 1 1 33 33 GLN HA H 340 4.335 4.335 4.829 -0.494 18296 3540 1 9 . 1 1 33 33 GLN C C 340 179.377 179.377 174.965 4.412 18296 3541 1 9 . 1 1 33 33 GLN CA C 340 53.739 53.739 54.086 -0.347 18296 3542 1 9 . 1 1 33 33 GLN CB C 340 32.179 32.179 31.383 0.796 18296 3543 1 9 . 1 1 33 33 GLN H H 340 7.720 7.720 8.144 -0.424 18296 3544 1 9 . 1 1 34 34 CYS N N 341 125.463 125.463 127.320 -1.857 18296 3545 1 9 . 1 1 34 34 CYS HA H 341 4.036 4.036 4.844 -0.808 18296 3546 1 9 . 1 1 34 34 CYS C C 341 178.269 178.269 176.108 2.161 18296 3547 1 9 . 1 1 34 34 CYS CA C 341 60.992 60.992 58.957 2.035 18296 3548 1 9 . 1 1 34 34 CYS CB C 341 32.346 32.346 27.927 4.419 18296 3549 1 9 . 1 1 34 34 CYS H H 341 8.292 8.292 8.720 -0.428 18296 3550 1 9 . 1 1 35 35 HIS N N 342 126.611 126.611 128.676 -2.065 18296 3551 1 9 . 1 1 35 35 HIS HA H 342 4.128 4.128 4.348 -0.220 18296 3552 1 9 . 1 1 35 35 HIS CA C 342 57.556 57.556 57.745 -0.189 18296 3553 1 9 . 1 1 35 35 HIS CB C 342 29.945 29.945 30.662 -0.717 18296 3554 1 9 . 1 1 35 35 HIS H H 342 8.722 8.722 8.961 -0.239 18296 3555 1 9 . 1 1 36 36 LYS N N 343 124.049 124.049 117.263 6.786 18296 3556 1 9 . 1 1 36 36 LYS HA H 343 3.940 3.940 3.913 0.027 18296 3557 1 9 . 1 1 36 36 LYS C C 343 176.701 176.701 176.901 -0.200 18296 3558 1 9 . 1 1 36 36 LYS CA C 343 56.155 56.155 56.422 -0.267 18296 3559 1 9 . 1 1 36 36 LYS CB C 343 33.033 33.033 32.053 0.980 18296 3560 1 9 . 1 1 36 36 LYS H H 343 8.567 8.567 8.042 0.525 18296 3561 1 9 . 1 1 37 37 ALA N N 344 130.751 130.751 128.790 1.961 18296 3562 1 9 . 1 1 37 37 ALA HA H 344 3.733 3.733 3.424 0.309 18296 3563 1 9 . 1 1 37 37 ALA C C 344 175.302 175.302 177.779 -2.477 18296 3564 1 9 . 1 1 37 37 ALA CA C 344 53.917 53.917 53.999 -0.083 18296 3565 1 9 . 1 1 37 37 ALA CB C 344 18.206 18.206 18.506 -0.300 18296 3566 1 9 . 1 1 37 37 ALA H H 344 8.363 8.363 8.510 -0.147 18296 3567 1 9 . 1 1 38 38 ASN N N 345 114.094 114.094 116.050 -1.956 18296 3568 1 9 . 1 1 38 38 ASN HA H 345 3.885 3.885 4.621 -0.736 18296 3569 1 9 . 1 1 38 38 ASN C C 345 181.195 181.195 176.482 4.713 18296 3570 1 9 . 1 1 38 38 ASN CA C 345 53.606 53.606 55.083 -1.477 18296 3571 1 9 . 1 1 38 38 ASN CB C 345 37.443 37.443 38.685 -1.242 18296 3572 1 9 . 1 1 38 38 ASN H H 345 8.292 8.292 8.516 -0.224 18296 3573 1 9 . 1 1 39 39 CYS N N 346 121.417 121.417 118.269 3.148 18296 3574 1 9 . 1 1 39 39 CYS C C 346 178.723 178.723 175.345 3.378 18296 3575 1 9 . 1 1 39 39 CYS H H 346 7.283 7.283 7.827 -0.544 18296 3576 1 9 . 1 1 40 40 TYR HA H 347 4.212 4.212 4.252 -0.040 18296 3577 1 9 . 1 1 40 40 TYR C C 347 178.156 178.156 174.515 3.641 18296 3578 1 9 . 1 1 40 40 TYR CA C 347 56.478 56.478 59.278 -2.800 18296 3579 1 9 . 1 1 40 40 TYR CB C 347 37.446 37.446 35.780 1.666 18296 3580 1 9 . 1 1 40 40 TYR H H 347 7.923 7.923 8.146 -0.223 18296 3581 1 9 . 1 1 41 41 THR N N 348 122.674 122.674 115.460 7.214 18296 3582 1 9 . 1 1 41 41 THR HA H 348 3.806 3.806 4.734 -0.928 18296 3583 1 9 . 1 1 41 41 THR C C 348 182.343 182.343 172.906 9.437 18296 3584 1 9 . 1 1 41 41 THR CA C 348 64.932 64.932 61.884 3.048 18296 3585 1 9 . 1 1 41 41 THR CB C 348 68.772 68.772 71.430 -2.658 18296 3586 1 9 . 1 1 41 41 THR H H 348 8.421 8.421 7.763 0.658 18296 3587 1 9 . 1 1 42 42 ALA N N 349 130.177 130.177 126.775 3.402 18296 3588 1 9 . 1 1 42 42 ALA HA H 349 4.967 4.967 5.357 -0.390 18296 3589 1 9 . 1 1 42 42 ALA C C 349 176.955 176.955 176.021 0.934 18296 3590 1 9 . 1 1 42 42 ALA CA C 349 49.997 49.997 50.541 -0.544 18296 3591 1 9 . 1 1 42 42 ALA CB C 349 23.467 23.467 21.747 1.720 18296 3592 1 9 . 1 1 42 42 ALA H H 349 8.856 8.856 8.954 -0.098 18296 3593 1 9 . 1 1 43 43 PHE N N 350 113.053 113.053 118.047 -4.994 18296 3594 1 9 . 1 1 43 43 PHE HA H 350 5.525 5.525 4.657 0.868 18296 3595 1 9 . 1 1 43 43 PHE C C 350 177.894 177.894 173.717 4.177 18296 3596 1 9 . 1 1 43 43 PHE CA C 350 53.625 53.625 56.422 -2.797 18296 3597 1 9 . 1 1 43 43 PHE CB C 350 39.459 39.459 40.737 -1.278 18296 3598 1 9 . 1 1 43 43 PHE H H 350 7.912 7.912 8.732 -0.820 18296 3599 1 9 . 1 1 44 44 HIS N N 351 118.497 118.497 120.094 -1.597 18296 3600 1 9 . 1 1 44 44 HIS HA H 351 4.892 4.892 4.698 0.194 18296 3601 1 9 . 1 1 44 44 HIS C C 351 176.371 176.371 177.135 -0.764 18296 3602 1 9 . 1 1 44 44 HIS CA C 351 58.019 58.019 57.132 0.887 18296 3603 1 9 . 1 1 44 44 HIS CB C 351 31.716 31.716 30.139 1.577 18296 3604 1 9 . 1 1 44 44 HIS H H 351 9.335 9.335 8.421 0.914 18296 3605 1 9 . 1 1 45 45 VAL N N 352 124.407 124.407 121.642 2.765 18296 3606 1 9 . 1 1 45 45 VAL HA H 352 3.476 3.476 3.790 -0.314 18296 3607 1 9 . 1 1 45 45 VAL C C 352 175.305 175.305 177.983 -2.678 18296 3608 1 9 . 1 1 45 45 VAL CA C 352 67.359 67.359 66.657 0.702 18296 3609 1 9 . 1 1 45 45 VAL CB C 352 31.627 31.627 31.170 0.457 18296 3610 1 9 . 1 1 45 45 VAL H H 352 8.654 8.654 8.088 0.566 18296 3611 1 9 . 1 1 46 46 THR N N 353 111.166 111.166 114.886 -3.720 18296 3612 1 9 . 1 1 46 46 THR HA H 353 3.997 3.997 3.974 0.023 18296 3613 1 9 . 1 1 46 46 THR C C 353 175.010 175.010 176.118 -1.108 18296 3614 1 9 . 1 1 46 46 THR CA C 353 65.008 65.008 66.433 -1.425 18296 3615 1 9 . 1 1 46 46 THR CB C 353 67.830 67.830 68.633 -0.803 18296 3616 1 9 . 1 1 46 46 THR H H 353 8.370 8.370 8.521 -0.151 18296 3617 1 9 . 1 1 47 47 CYS N N 354 120.975 120.975 119.462 1.513 18296 3618 1 9 . 1 1 47 47 CYS HA H 354 3.762 3.762 4.322 -0.560 18296 3619 1 9 . 1 1 47 47 CYS C C 354 175.912 175.912 177.077 -1.165 18296 3620 1 9 . 1 1 47 47 CYS CA C 354 63.372 63.372 62.390 0.982 18296 3621 1 9 . 1 1 47 47 CYS CB C 354 29.076 29.076 25.797 3.279 18296 3622 1 9 . 1 1 47 47 CYS H H 354 6.668 6.668 8.476 -1.808 18296 3623 1 9 . 1 1 48 48 ALA N N 355 123.247 123.247 122.849 0.398 18296 3624 1 9 . 1 1 48 48 ALA HA H 355 3.511 3.511 4.094 -0.583 18296 3625 1 9 . 1 1 48 48 ALA C C 355 174.031 174.031 179.362 -5.331 18296 3626 1 9 . 1 1 48 48 ALA CA C 355 55.045 55.045 54.783 0.262 18296 3627 1 9 . 1 1 48 48 ALA CB C 355 19.962 19.962 18.924 1.038 18296 3628 1 9 . 1 1 48 48 ALA H H 355 8.481 8.481 8.174 0.307 18296 3629 1 9 . 1 1 49 49 GLN N N 356 118.150 118.150 118.106 0.044 18296 3630 1 9 . 1 1 49 49 GLN HA H 356 4.003 4.003 3.985 0.018 18296 3631 1 9 . 1 1 49 49 GLN C C 356 173.755 173.755 178.424 -4.669 18296 3632 1 9 . 1 1 49 49 GLN CA C 356 58.728 58.728 58.853 -0.125 18296 3633 1 9 . 1 1 49 49 GLN CB C 356 28.196 28.196 28.771 -0.575 18296 3634 1 9 . 1 1 49 49 GLN H H 356 8.055 8.055 8.344 -0.289 18296 3635 1 9 . 1 1 50 50 LYS N N 357 120.248 120.248 117.911 2.337 18296 3636 1 9 . 1 1 50 50 LYS HA H 357 3.866 3.866 4.179 -0.313 18296 3637 1 9 . 1 1 50 50 LYS C C 357 175.624 175.624 178.305 -2.681 18296 3638 1 9 . 1 1 50 50 LYS CA C 357 58.989 58.989 57.897 1.092 18296 3639 1 9 . 1 1 50 50 LYS CB C 357 32.377 32.377 32.722 -0.345 18296 3640 1 9 . 1 1 50 50 LYS H H 357 7.628 7.628 7.969 -0.341 18296 3641 1 9 . 1 1 51 51 ALA N N 358 118.343 118.343 119.724 -1.381 18296 3642 1 9 . 1 1 51 51 ALA HA H 358 4.138 4.138 4.233 -0.095 18296 3643 1 9 . 1 1 51 51 ALA C C 358 176.132 176.132 178.446 -2.314 18296 3644 1 9 . 1 1 51 51 ALA CA C 358 52.263 52.263 53.116 -0.853 18296 3645 1 9 . 1 1 51 51 ALA CB C 358 19.690 19.690 19.369 0.321 18296 3646 1 9 . 1 1 51 51 ALA H H 358 7.558 7.558 7.401 0.157 18296 3647 1 9 . 1 1 52 52 GLY N N 359 107.058 107.058 107.970 -0.912 18296 3648 1 9 . 1 1 52 52 GLY C C 359 178.221 178.221 174.358 3.863 18296 3649 1 9 . 1 1 52 52 GLY CA C 359 46.323 46.323 45.237 1.086 18296 3650 1 9 . 1 1 52 52 GLY H H 359 7.481 7.481 8.129 -0.647 18296 3651 1 9 . 1 1 53 53 LEU N N 360 118.335 118.335 116.058 2.277 18296 3652 1 9 . 1 1 53 53 LEU HA H 360 4.002 4.002 4.884 -0.882 18296 3653 1 9 . 1 1 53 53 LEU C C 360 176.917 176.917 176.522 0.395 18296 3654 1 9 . 1 1 53 53 LEU CA C 360 54.926 54.926 52.171 2.755 18296 3655 1 9 . 1 1 53 53 LEU CB C 360 39.949 39.949 42.929 -2.980 18296 3656 1 9 . 1 1 53 53 LEU H H 360 7.502 7.502 7.290 0.212 18296 3657 1 9 . 1 1 54 54 TYR N N 361 124.191 124.191 120.428 3.763 18296 3658 1 9 . 1 1 54 54 TYR HA H 361 4.024 4.024 4.409 -0.385 18296 3659 1 9 . 1 1 54 54 TYR C C 361 178.584 178.584 174.960 3.624 18296 3660 1 9 . 1 1 54 54 TYR CA C 361 59.385 59.385 59.425 -0.040 18296 3661 1 9 . 1 1 54 54 TYR CB C 361 39.068 39.068 39.335 -0.267 18296 3662 1 9 . 1 1 54 54 TYR H H 361 9.307 9.307 8.678 0.629 18296 3663 1 9 . 1 1 55 55 MET N N 362 127.473 127.473 127.133 0.340 18296 3664 1 9 . 1 1 55 55 MET HA H 362 4.953 4.953 4.532 0.421 18296 3665 1 9 . 1 1 55 55 MET C C 362 179.342 179.342 174.314 5.028 18296 3666 1 9 . 1 1 55 55 MET CA C 362 54.918 54.918 54.396 0.522 18296 3667 1 9 . 1 1 55 55 MET CB C 362 35.857 35.857 35.545 0.312 18296 3668 1 9 . 1 1 55 55 MET H H 362 7.575 7.575 7.970 -0.395 18296 3669 1 9 . 1 1 56 56 LYS N N 363 124.429 124.429 125.704 -1.275 18296 3670 1 9 . 1 1 56 56 LYS HA H 363 4.339 4.339 4.500 -0.161 18296 3671 1 9 . 1 1 56 56 LYS C C 363 178.541 178.541 174.464 4.077 18296 3672 1 9 . 1 1 56 56 LYS CA C 363 54.939 54.939 55.081 -0.142 18296 3673 1 9 . 1 1 56 56 LYS CB C 363 35.977 35.977 35.663 0.314 18296 3674 1 9 . 1 1 56 56 LYS H H 363 8.575 8.575 8.846 -0.271 18296 3675 1 9 . 1 1 57 57 MET N N 364 123.350 123.350 120.888 2.462 18296 3676 1 9 . 1 1 57 57 MET HA H 364 4.801 4.801 4.596 0.205 18296 3677 1 9 . 1 1 57 57 MET C C 364 178.016 178.016 174.519 3.497 18296 3678 1 9 . 1 1 57 57 MET CA C 364 54.111 54.111 55.375 -1.264 18296 3679 1 9 . 1 1 57 57 MET H H 364 8.484 8.484 8.493 -0.009 18296 3680 1 9 . 1 1 58 58 GLU N N 365 121.319 121.319 123.347 -2.028 18296 3681 1 9 . 1 1 58 58 GLU H H 365 8.193 8.193 8.769 -0.576 18296 3682 1 9 . 1 1 59 59 PRO HA H 366 4.665 4.665 4.338 0.327 18296 3683 1 9 . 1 1 59 59 PRO C C 366 176.742 176.742 175.653 1.089 18296 3684 1 9 . 1 1 59 59 PRO CA C 366 62.524 62.524 62.296 0.228 18296 3685 1 9 . 1 1 59 59 PRO CB C 366 32.125 32.125 33.118 -0.993 18296 3686 1 9 . 1 1 60 60 VAL N N 367 122.754 122.754 116.844 5.910 18296 3687 1 9 . 1 1 60 60 VAL HA H 367 4.105 4.105 4.259 -0.154 18296 3688 1 9 . 1 1 60 60 VAL C C 367 178.435 178.435 174.101 4.334 18296 3689 1 9 . 1 1 60 60 VAL CA C 367 61.529 61.529 60.412 1.117 18296 3690 1 9 . 1 1 60 60 VAL CB C 367 34.057 34.057 35.378 -1.321 18296 3691 1 9 . 1 1 60 60 VAL H H 367 8.509 8.509 7.790 0.719 18296 3692 1 9 . 1 1 61 61 LYS N N 368 126.381 126.381 125.316 1.065 18296 3693 1 9 . 1 1 61 61 LYS HA H 368 4.180 4.180 5.410 -1.230 18296 3694 1 9 . 1 1 61 61 LYS C C 368 177.499 177.499 175.192 2.307 18296 3695 1 9 . 1 1 61 61 LYS CA C 368 56.047 56.047 55.147 0.900 18296 3696 1 9 . 1 1 61 61 LYS CB C 368 33.313 33.313 32.829 0.484 18296 3697 1 9 . 1 1 61 61 LYS H H 368 8.379 8.379 8.402 -0.023 18296 3698 1 9 . 1 1 62 62 GLU N N 369 123.927 123.927 123.038 0.889 18296 3699 1 9 . 1 1 62 62 GLU HA H 369 4.246 4.246 4.522 -0.276 18296 3700 1 9 . 1 1 62 62 GLU C C 369 177.861 177.861 176.076 1.785 18296 3701 1 9 . 1 1 62 62 GLU CA C 369 55.596 55.596 55.982 -0.386 18296 3702 1 9 . 1 1 62 62 GLU CB C 369 31.289 31.289 31.259 0.031 18296 3703 1 9 . 1 1 62 62 GLU H H 369 8.355 8.355 8.613 -0.258 18296 3704 1 9 . 1 1 63 63 LEU N N 370 124.406 124.406 117.436 6.970 18296 3705 1 9 . 1 1 63 63 LEU HA H 370 4.356 4.356 4.367 -0.011 18296 3706 1 9 . 1 1 63 63 LEU C C 370 176.026 176.026 176.441 -0.415 18296 3707 1 9 . 1 1 63 63 LEU CA C 370 55.223 55.223 57.033 -1.810 18296 3708 1 9 . 1 1 63 63 LEU CB C 370 42.061 42.061 41.422 0.639 18296 3709 1 9 . 1 1 63 63 LEU H H 370 8.419 8.419 8.659 -0.240 18296 3710 1 9 . 1 1 64 64 THR N N 371 114.722 114.722 112.112 2.610 18296 3711 1 9 . 1 1 64 64 THR HA H 371 4.306 4.306 4.522 -0.216 18296 3712 1 9 . 1 1 64 64 THR C C 371 178.158 178.158 175.208 2.950 18296 3713 1 9 . 1 1 64 64 THR CA C 371 61.196 61.196 60.447 0.749 18296 3714 1 9 . 1 1 64 64 THR CB C 371 70.416 70.416 70.641 -0.226 18296 3715 1 9 . 1 1 64 64 THR H H 371 7.966 7.966 7.597 0.369 18296 3716 1 9 . 1 1 65 65 GLY N N 372 111.711 111.711 108.268 3.443 18296 3717 1 9 . 1 1 65 65 GLY C C 372 178.512 178.512 175.185 3.327 18296 3718 1 9 . 1 1 65 65 GLY CA C 372 46.227 46.227 44.755 1.472 18296 3719 1 9 . 1 1 65 65 GLY H H 372 8.565 8.565 8.434 0.131 18296 3720 1 9 . 1 1 66 66 GLY N N 373 108.771 108.771 110.024 -1.253 18296 3721 1 9 . 1 1 66 66 GLY C C 373 178.999 178.999 175.123 3.876 18296 3722 1 9 . 1 1 66 66 GLY CA C 373 45.287 45.287 44.760 0.527 18296 3723 1 9 . 1 1 66 66 GLY H H 373 8.227 8.227 8.164 0.063 18296 3724 1 9 . 1 1 67 67 GLY N N 374 108.901 108.901 110.107 -1.206 18296 3725 1 9 . 1 1 67 67 GLY C C 374 179.721 179.721 173.000 6.721 18296 3726 1 9 . 1 1 67 67 GLY CA C 374 44.987 44.987 44.543 0.444 18296 3727 1 9 . 1 1 67 67 GLY H H 374 7.876 7.876 8.273 -0.397 18296 3728 1 9 . 1 1 68 68 THR N N 375 114.505 114.505 115.144 -0.639 18296 3729 1 9 . 1 1 68 68 THR HA H 375 4.450 4.450 4.748 -0.298 18296 3730 1 9 . 1 1 68 68 THR C C 375 178.997 178.997 174.937 4.060 18296 3731 1 9 . 1 1 68 68 THR CA C 375 61.900 61.900 61.456 0.444 18296 3732 1 9 . 1 1 68 68 THR CB C 375 70.047 70.047 69.958 0.089 18296 3733 1 9 . 1 1 68 68 THR H H 375 8.112 8.112 8.112 -0.000 18296 3734 1 9 . 1 1 69 69 THR N N 376 118.054 118.054 119.757 -1.703 18296 3735 1 9 . 1 1 69 69 THR HA H 376 4.302 4.302 3.778 0.524 18296 3736 1 9 . 1 1 69 69 THR C C 376 180.403 180.403 174.227 6.176 18296 3737 1 9 . 1 1 69 69 THR CA C 376 61.114 61.114 65.130 -4.016 18296 3738 1 9 . 1 1 69 69 THR CB C 376 70.422 70.422 67.725 2.697 18296 3739 1 9 . 1 1 69 69 THR H H 376 8.259 8.259 8.541 -0.282 18296 3740 1 9 . 1 1 70 70 PHE N N 377 122.009 122.009 125.668 -3.659 18296 3741 1 9 . 1 1 70 70 PHE HA H 377 4.910 4.910 5.090 -0.180 18296 3742 1 9 . 1 1 70 70 PHE C C 377 177.972 177.972 175.710 2.262 18296 3743 1 9 . 1 1 70 70 PHE CA C 377 57.227 57.227 57.047 0.180 18296 3744 1 9 . 1 1 70 70 PHE CB C 377 40.873 40.873 40.112 0.761 18296 3745 1 9 . 1 1 70 70 PHE H H 377 8.351 8.351 8.039 0.312 18296 3746 1 9 . 1 1 71 71 SER N N 378 117.853 117.853 122.399 -4.546 18296 3747 1 9 . 1 1 71 71 SER HA H 378 4.493 4.493 4.838 -0.345 18296 3748 1 9 . 1 1 71 71 SER C C 378 180.063 180.063 172.952 7.111 18296 3749 1 9 . 1 1 71 71 SER CA C 378 57.276 57.276 56.598 0.678 18296 3750 1 9 . 1 1 71 71 SER CB C 378 64.612 64.612 65.431 -0.819 18296 3751 1 9 . 1 1 71 71 SER H H 378 8.519 8.519 8.487 0.032 18296 3752 1 9 . 1 1 72 72 VAL N N 379 120.162 120.162 119.006 1.156 18296 3753 1 9 . 1 1 72 72 VAL HA H 379 4.441 4.441 4.477 -0.036 18296 3754 1 9 . 1 1 72 72 VAL C C 379 178.192 178.192 174.516 3.676 18296 3755 1 9 . 1 1 72 72 VAL CA C 379 61.369 61.369 61.193 0.176 18296 3756 1 9 . 1 1 72 72 VAL CB C 379 33.944 33.944 34.142 -0.198 18296 3757 1 9 . 1 1 72 72 VAL H H 379 8.277 8.277 8.168 0.109 18296 3758 1 9 . 1 1 73 73 ARG N N 380 126.538 126.538 126.027 0.511 18296 3759 1 9 . 1 1 73 73 ARG HA H 380 4.430 4.430 4.599 -0.169 18296 3760 1 9 . 1 1 73 73 ARG C C 380 177.524 177.524 174.320 3.204 18296 3761 1 9 . 1 1 73 73 ARG CA C 380 54.744 54.744 55.341 -0.597 18296 3762 1 9 . 1 1 73 73 ARG CB C 380 32.635 32.635 32.856 -0.221 18296 3763 1 9 . 1 1 73 73 ARG H H 380 8.727 8.727 8.381 0.346 18296 3764 1 9 . 1 1 74 74 LYS N N 381 126.485 126.485 127.725 -1.240 18296 3765 1 9 . 1 1 74 74 LYS HA H 381 4.613 4.613 4.492 0.121 18296 3766 1 9 . 1 1 74 74 LYS C C 381 178.050 178.050 175.545 2.505 18296 3767 1 9 . 1 1 74 74 LYS CA C 381 56.325 56.325 55.086 1.239 18296 3768 1 9 . 1 1 74 74 LYS CB C 381 33.149 33.149 34.135 -0.986 18296 3769 1 9 . 1 1 74 74 LYS H H 381 8.636 8.636 8.468 0.168 18296 3770 1 9 . 1 1 75 75 THR N N 382 120.767 120.767 122.122 -1.355 18296 3771 1 9 . 1 1 75 75 THR HA H 382 3.791 3.791 4.404 -0.613 18296 3772 1 9 . 1 1 75 75 THR C C 382 181.578 181.578 172.221 9.357 18296 3773 1 9 . 1 1 75 75 THR CA C 382 61.703 61.703 61.739 -0.036 18296 3774 1 9 . 1 1 75 75 THR CB C 382 70.771 70.771 70.998 -0.227 18296 3775 1 9 . 1 1 75 75 THR H H 382 8.544 8.544 8.019 0.525 18296 3776 1 9 . 1 1 76 76 ALA N N 383 126.390 126.390 128.667 -2.277 18296 3777 1 9 . 1 1 76 76 ALA HA H 383 5.358 5.358 4.805 0.553 18296 3778 1 9 . 1 1 76 76 ALA C C 383 178.931 178.931 175.626 3.305 18296 3779 1 9 . 1 1 76 76 ALA CA C 383 50.669 50.669 51.308 -0.639 18296 3780 1 9 . 1 1 76 76 ALA CB C 383 24.682 24.682 21.726 2.956 18296 3781 1 9 . 1 1 76 76 ALA H H 383 7.981 7.981 8.261 -0.280 18296 3782 1 9 . 1 1 77 77 TYR N N 384 116.182 116.182 122.033 -5.851 18296 3783 1 9 . 1 1 77 77 TYR HA H 384 5.920 5.920 4.847 1.073 18296 3784 1 9 . 1 1 77 77 TYR C C 384 177.384 177.384 176.502 0.882 18296 3785 1 9 . 1 1 77 77 TYR CA C 384 56.234 56.234 57.458 -1.224 18296 3786 1 9 . 1 1 77 77 TYR CB C 384 43.201 43.201 40.061 3.140 18296 3787 1 9 . 1 1 77 77 TYR H H 384 7.899 7.899 7.801 0.098 18296 3788 1 9 . 1 1 78 78 CYS N N 385 121.146 121.146 117.346 3.800 18296 3789 1 9 . 1 1 78 78 CYS HA H 385 4.312 4.312 4.040 0.272 18296 3790 1 9 . 1 1 78 78 CYS C C 385 178.543 178.543 175.962 2.581 18296 3791 1 9 . 1 1 78 78 CYS CA C 385 58.293 58.293 57.898 0.395 18296 3792 1 9 . 1 1 78 78 CYS CB C 385 29.815 29.815 29.558 0.257 18296 3793 1 9 . 1 1 78 78 CYS H H 385 9.855 9.855 8.546 1.309 18296 3794 1 9 . 1 1 79 79 ASP N N 386 115.334 115.334 121.003 -5.669 18296 3795 1 9 . 1 1 79 79 ASP HA H 386 3.946 3.946 4.422 -0.476 18296 3796 1 9 . 1 1 79 79 ASP C C 386 175.510 175.510 177.566 -2.056 18296 3797 1 9 . 1 1 79 79 ASP CA C 386 57.118 57.118 56.815 0.303 18296 3798 1 9 . 1 1 79 79 ASP CB C 386 40.495 40.495 41.353 -0.858 18296 3799 1 9 . 1 1 79 79 ASP H H 386 7.657 7.657 8.261 -0.604 18296 3800 1 9 . 1 1 80 80 VAL N N 387 119.872 119.872 112.828 7.044 18296 3801 1 9 . 1 1 80 80 VAL HA H 387 3.579 3.579 4.101 -0.522 18296 3802 1 9 . 1 1 80 80 VAL C C 387 176.437 176.437 175.870 0.567 18296 3803 1 9 . 1 1 80 80 VAL CA C 387 64.272 64.272 63.150 1.123 18296 3804 1 9 . 1 1 80 80 VAL CB C 387 31.798 31.798 30.969 0.829 18296 3805 1 9 . 1 1 80 80 VAL H H 387 7.601 7.601 7.544 0.057 18296 3806 1 9 . 1 1 81 81 HIS N N 388 119.244 119.244 118.625 0.619 18296 3807 1 9 . 1 1 81 81 HIS HA H 388 4.632 4.632 4.589 0.043 18296 3808 1 9 . 1 1 81 81 HIS C C 388 180.644 180.644 176.243 4.401 18296 3809 1 9 . 1 1 81 81 HIS CA C 388 56.212 56.212 57.418 -1.206 18296 3810 1 9 . 1 1 81 81 HIS CB C 388 31.774 31.774 31.508 0.266 18296 3811 1 9 . 1 1 81 81 HIS H H 388 7.385 7.385 7.624 -0.239 18296 3812 1 9 . 1 1 82 82 THR N N 389 117.899 117.899 115.295 2.604 18296 3813 1 9 . 1 1 82 82 THR HA H 389 3.733 3.733 4.420 -0.687 18296 3814 1 9 . 1 1 82 82 THR C C 389 181.155 181.155 173.993 7.162 18296 3815 1 9 . 1 1 82 82 THR CA C 389 61.844 61.844 64.178 -2.334 18296 3816 1 9 . 1 1 82 82 THR CB C 389 70.285 70.285 67.699 2.586 18296 3817 1 9 . 1 1 82 82 THR H H 389 7.133 7.133 7.636 -0.503 18296 3818 1 9 . 1 1 83 83 PRO HA H 390 4.192 4.192 4.452 -0.260 18296 3819 1 9 . 1 1 83 83 PRO CA C 390 61.509 61.509 63.836 -2.327 18296 3820 1 9 . 1 1 83 83 PRO CB C 390 30.773 30.773 30.293 0.481 18296 3821 1 9 . 1 1 84 84 PRO HA H 391 4.220 4.220 4.320 -0.100 18296 3822 1 9 . 1 1 84 84 PRO C C 391 175.949 175.949 176.293 -0.344 18296 3823 1 9 . 1 1 84 84 PRO CA C 391 63.032 63.032 63.531 -0.499 18296 3824 1 9 . 1 1 84 84 PRO CB C 391 31.983 31.983 31.630 0.353 18296 3825 1 9 . 1 1 85 85 GLY N N 392 109.626 109.626 109.789 -0.163 18296 3826 1 9 . 1 1 85 85 GLY C C 392 179.223 179.223 172.887 6.336 18296 3827 1 9 . 1 1 85 85 GLY CA C 392 45.359 45.359 44.863 0.496 18296 3828 1 9 . 1 1 85 85 GLY H H 392 8.367 8.367 7.961 0.406 18296 3829 1 9 . 1 1 86 86 SER N N 393 115.675 115.675 115.543 0.132 18296 3830 1 9 . 1 1 86 86 SER HA H 393 4.354 4.354 4.897 -0.543 18296 3831 1 9 . 1 1 86 86 SER C C 393 179.569 179.569 174.236 5.333 18296 3832 1 9 . 1 1 86 86 SER CA C 393 58.521 58.521 58.400 0.121 18296 3833 1 9 . 1 1 86 86 SER CB C 393 63.913 63.913 64.303 -0.390 18296 3834 1 9 . 1 1 86 86 SER H H 393 8.022 8.022 8.266 -0.244 18296 3835 1 10 . 1 1 10 10 ASN N N 317 120.101 120.101 122.953 -2.852 18296 3836 1 10 . 1 1 10 10 ASN HA H 317 4.501 4.501 4.816 -0.315 18296 3837 1 10 . 1 1 10 10 ASN C C 317 179.015 179.015 174.400 4.615 18296 3838 1 10 . 1 1 10 10 ASN CA C 317 53.191 53.191 53.960 -0.769 18296 3839 1 10 . 1 1 10 10 ASN CB C 317 38.650 38.650 38.743 -0.093 18296 3840 1 10 . 1 1 10 10 ASN H H 317 8.415 8.415 8.916 -0.501 18296 3841 1 10 . 1 1 11 11 ILE N N 318 122.869 122.869 117.003 5.866 18296 3842 1 10 . 1 1 11 11 ILE HA H 318 4.250 4.250 4.513 -0.263 18296 3843 1 10 . 1 1 11 11 ILE C C 318 179.506 179.506 173.924 5.582 18296 3844 1 10 . 1 1 11 11 ILE CA C 318 58.332 58.332 58.309 0.023 18296 3845 1 10 . 1 1 11 11 ILE CB C 318 38.713 38.713 40.156 -1.443 18296 3846 1 10 . 1 1 11 11 ILE H H 318 7.924 7.924 7.574 0.350 18296 3847 1 10 . 1 1 12 12 PRO HA H 319 4.359 4.359 4.490 -0.131 18296 3848 1 10 . 1 1 12 12 PRO CA C 319 61.487 61.487 63.653 -2.166 18296 3849 1 10 . 1 1 12 12 PRO CB C 319 30.960 30.960 31.002 -0.042 18296 3850 1 10 . 1 1 13 13 PRO HA H 320 3.968 3.968 4.385 -0.417 18296 3851 1 10 . 1 1 13 13 PRO C C 320 176.730 176.730 175.668 1.062 18296 3852 1 10 . 1 1 13 13 PRO CA C 320 62.874 62.874 63.215 -0.341 18296 3853 1 10 . 1 1 13 13 PRO CB C 320 31.948 31.948 30.886 1.062 18296 3854 1 10 . 1 1 14 14 ALA N N 321 123.469 123.469 126.608 -3.139 18296 3855 1 10 . 1 1 14 14 ALA HA H 321 3.952 3.952 4.836 -0.884 18296 3856 1 10 . 1 1 14 14 ALA C C 321 175.208 175.208 177.215 -2.007 18296 3857 1 10 . 1 1 14 14 ALA CA C 321 52.876 52.876 52.582 0.294 18296 3858 1 10 . 1 1 14 14 ALA CB C 321 18.896 18.896 19.777 -0.881 18296 3859 1 10 . 1 1 14 14 ALA H H 321 8.108 8.108 7.831 0.277 18296 3860 1 10 . 1 1 15 15 ARG N N 322 118.725 118.725 119.189 -0.464 18296 3861 1 10 . 1 1 15 15 ARG HA H 322 3.943 3.943 4.269 -0.326 18296 3862 1 10 . 1 1 15 15 ARG C C 322 176.870 176.870 176.644 0.226 18296 3863 1 10 . 1 1 15 15 ARG CA C 322 56.737 56.737 57.713 -0.976 18296 3864 1 10 . 1 1 15 15 ARG CB C 322 30.230 30.230 30.460 -0.230 18296 3865 1 10 . 1 1 15 15 ARG H H 322 8.077 8.077 8.417 -0.340 18296 3866 1 10 . 1 1 16 16 TRP N N 323 120.113 120.113 121.549 -1.436 18296 3867 1 10 . 1 1 16 16 TRP HA H 323 4.471 4.471 4.724 -0.253 18296 3868 1 10 . 1 1 16 16 TRP C C 323 177.322 177.322 175.142 2.180 18296 3869 1 10 . 1 1 16 16 TRP CA C 323 57.143 57.143 55.221 1.922 18296 3870 1 10 . 1 1 16 16 TRP CB C 323 29.192 29.192 27.334 1.859 18296 3871 1 10 . 1 1 16 16 TRP H H 323 7.634 7.634 8.483 -0.849 18296 3872 1 10 . 1 1 17 17 LYS N N 324 121.400 121.400 121.564 -0.164 18296 3873 1 10 . 1 1 17 17 LYS HA H 324 3.951 3.951 4.532 -0.581 18296 3874 1 10 . 1 1 17 17 LYS C C 324 179.457 179.457 175.589 3.868 18296 3875 1 10 . 1 1 17 17 LYS CA C 324 56.502 56.502 54.788 1.714 18296 3876 1 10 . 1 1 17 17 LYS CB C 324 32.867 32.867 35.258 -2.391 18296 3877 1 10 . 1 1 17 17 LYS H H 324 7.735 7.735 8.011 -0.276 18296 3878 1 10 . 1 1 18 18 LEU N N 325 121.064 121.064 121.561 -0.497 18296 3879 1 10 . 1 1 18 18 LEU HA H 325 4.141 4.141 4.664 -0.523 18296 3880 1 10 . 1 1 18 18 LEU C C 325 176.781 176.781 177.344 -0.563 18296 3881 1 10 . 1 1 18 18 LEU CA C 325 54.574 54.574 53.838 0.736 18296 3882 1 10 . 1 1 18 18 LEU CB C 325 42.252 42.252 42.194 0.058 18296 3883 1 10 . 1 1 18 18 LEU H H 325 7.708 7.708 8.434 -0.726 18296 3884 1 10 . 1 1 19 19 THR N N 326 117.252 117.252 114.866 2.386 18296 3885 1 10 . 1 1 19 19 THR HA H 326 3.935 3.935 4.498 -0.563 18296 3886 1 10 . 1 1 19 19 THR C C 326 180.854 180.854 172.950 7.904 18296 3887 1 10 . 1 1 19 19 THR CA C 326 61.977 61.977 61.208 0.769 18296 3888 1 10 . 1 1 19 19 THR CB C 326 70.166 70.166 70.379 -0.213 18296 3889 1 10 . 1 1 19 19 THR H H 326 7.915 7.915 8.197 -0.282 18296 3890 1 10 . 1 1 20 20 CYS N N 327 127.254 127.254 123.854 3.400 18296 3891 1 10 . 1 1 20 20 CYS HA H 327 4.324 4.324 5.114 -0.790 18296 3892 1 10 . 1 1 20 20 CYS C C 327 175.898 175.898 176.638 -0.740 18296 3893 1 10 . 1 1 20 20 CYS CA C 327 57.928 57.928 56.761 1.167 18296 3894 1 10 . 1 1 20 20 CYS CB C 327 31.298 31.298 28.352 2.946 18296 3895 1 10 . 1 1 20 20 CYS H H 327 8.055 8.055 8.570 -0.515 18296 3896 1 10 . 1 1 21 21 TYR N N 328 129.752 129.752 125.954 3.798 18296 3897 1 10 . 1 1 21 21 TYR HA H 328 4.488 4.488 4.488 0.000 18296 3898 1 10 . 1 1 21 21 TYR C C 328 178.625 178.625 176.329 2.296 18296 3899 1 10 . 1 1 21 21 TYR CA C 328 58.951 58.951 59.737 -0.786 18296 3900 1 10 . 1 1 21 21 TYR CB C 328 37.712 37.712 37.967 -0.255 18296 3901 1 10 . 1 1 21 21 TYR H H 328 9.082 9.082 8.640 0.442 18296 3902 1 10 . 1 1 22 22 LEU N N 329 124.057 124.057 117.977 6.080 18296 3903 1 10 . 1 1 22 22 LEU HA H 329 3.749 3.749 4.483 -0.734 18296 3904 1 10 . 1 1 22 22 LEU C C 329 176.268 176.268 176.128 0.140 18296 3905 1 10 . 1 1 22 22 LEU CA C 329 56.514 56.514 54.647 1.867 18296 3906 1 10 . 1 1 22 22 LEU CB C 329 42.975 42.975 41.863 1.112 18296 3907 1 10 . 1 1 22 22 LEU H H 329 8.140 8.140 7.238 0.902 18296 3908 1 10 . 1 1 23 23 CYS N N 330 117.734 117.734 116.578 1.156 18296 3909 1 10 . 1 1 23 23 CYS HA H 330 4.741 4.741 4.808 -0.067 18296 3910 1 10 . 1 1 23 23 CYS C C 330 177.769 177.769 172.540 5.229 18296 3911 1 10 . 1 1 23 23 CYS CA C 330 58.459 58.459 57.230 1.228 18296 3912 1 10 . 1 1 23 23 CYS CB C 330 30.918 30.918 30.855 0.063 18296 3913 1 10 . 1 1 23 23 CYS H H 330 7.971 7.971 7.163 0.808 18296 3914 1 10 . 1 1 24 24 LYS N N 331 118.437 118.437 120.448 -2.011 18296 3915 1 10 . 1 1 24 24 LYS HA H 331 3.980 3.980 4.462 -0.482 18296 3916 1 10 . 1 1 24 24 LYS C C 331 178.178 178.178 175.109 3.069 18296 3917 1 10 . 1 1 24 24 LYS CA C 331 57.520 57.520 56.512 1.008 18296 3918 1 10 . 1 1 24 24 LYS CB C 331 29.278 29.278 32.711 -3.433 18296 3919 1 10 . 1 1 24 24 LYS H H 331 7.842 7.842 8.344 -0.502 18296 3920 1 10 . 1 1 25 25 GLN N N 332 118.445 118.445 119.352 -0.907 18296 3921 1 10 . 1 1 25 25 GLN HA H 332 4.574 4.574 4.578 -0.004 18296 3922 1 10 . 1 1 25 25 GLN C C 332 177.619 177.619 175.019 2.600 18296 3923 1 10 . 1 1 25 25 GLN CA C 332 54.362 54.362 54.778 -0.416 18296 3924 1 10 . 1 1 25 25 GLN CB C 332 31.843 31.843 30.201 1.642 18296 3925 1 10 . 1 1 25 25 GLN H H 332 8.306 8.306 8.229 0.077 18296 3926 1 10 . 1 1 26 26 LYS N N 333 122.851 122.851 123.809 -0.958 18296 3927 1 10 . 1 1 26 26 LYS HA H 333 4.222 4.222 4.322 -0.100 18296 3928 1 10 . 1 1 26 26 LYS C C 333 175.456 175.456 176.705 -1.249 18296 3929 1 10 . 1 1 26 26 LYS CA C 333 57.729 57.729 56.356 1.373 18296 3930 1 10 . 1 1 26 26 LYS CB C 333 32.925 32.925 30.905 2.020 18296 3931 1 10 . 1 1 26 26 LYS H H 333 8.545 8.545 8.513 0.032 18296 3932 1 10 . 1 1 27 27 GLY N N 334 107.216 107.216 113.427 -6.211 18296 3933 1 10 . 1 1 27 27 GLY C C 334 180.017 180.017 173.349 6.668 18296 3934 1 10 . 1 1 27 27 GLY CA C 334 45.559 45.559 45.312 0.247 18296 3935 1 10 . 1 1 27 27 GLY H H 334 8.348 8.348 8.209 0.139 18296 3936 1 10 . 1 1 28 28 VAL N N 335 117.437 117.437 123.848 -6.411 18296 3937 1 10 . 1 1 28 28 VAL HA H 335 4.133 4.133 4.369 -0.236 18296 3938 1 10 . 1 1 28 28 VAL C C 335 177.439 177.439 175.381 2.058 18296 3939 1 10 . 1 1 28 28 VAL CA C 335 61.502 61.502 63.858 -2.356 18296 3940 1 10 . 1 1 28 28 VAL CB C 335 33.563 33.563 33.504 0.059 18296 3941 1 10 . 1 1 28 28 VAL H H 335 7.867 7.867 8.557 -0.690 18296 3942 1 10 . 1 1 29 29 GLY N N 336 110.723 110.723 110.268 0.455 18296 3943 1 10 . 1 1 29 29 GLY C C 336 180.088 180.088 173.525 6.563 18296 3944 1 10 . 1 1 29 29 GLY CA C 336 44.344 44.344 46.025 -1.681 18296 3945 1 10 . 1 1 29 29 GLY H H 336 8.186 8.186 8.658 -0.472 18296 3946 1 10 . 1 1 30 30 ALA N N 337 122.643 122.643 125.392 -2.749 18296 3947 1 10 . 1 1 30 30 ALA HA H 337 4.193 4.193 4.772 -0.579 18296 3948 1 10 . 1 1 30 30 ALA C C 337 175.274 175.274 176.114 -0.840 18296 3949 1 10 . 1 1 30 30 ALA CA C 337 52.904 52.904 51.339 1.565 18296 3950 1 10 . 1 1 30 30 ALA CB C 337 19.677 19.677 20.130 -0.453 18296 3951 1 10 . 1 1 30 30 ALA H H 337 8.269 8.269 8.007 0.262 18296 3952 1 10 . 1 1 31 31 SER N N 338 117.644 117.644 119.405 -1.761 18296 3953 1 10 . 1 1 31 31 SER HA H 338 4.775 4.775 4.817 -0.042 18296 3954 1 10 . 1 1 31 31 SER C C 338 180.923 180.923 173.267 7.656 18296 3955 1 10 . 1 1 31 31 SER CA C 338 57.406 57.406 57.033 0.373 18296 3956 1 10 . 1 1 31 31 SER CB C 338 65.388 65.388 65.456 -0.068 18296 3957 1 10 . 1 1 31 31 SER H H 338 8.415 8.415 8.509 -0.094 18296 3958 1 10 . 1 1 32 32 ILE N N 339 121.240 121.240 121.846 -0.606 18296 3959 1 10 . 1 1 32 32 ILE HA H 339 4.123 4.123 4.357 -0.234 18296 3960 1 10 . 1 1 32 32 ILE C C 339 181.302 181.302 172.898 8.404 18296 3961 1 10 . 1 1 32 32 ILE CA C 339 59.768 59.768 59.627 0.142 18296 3962 1 10 . 1 1 32 32 ILE CB C 339 41.252 41.252 41.326 -0.074 18296 3963 1 10 . 1 1 32 32 ILE H H 339 8.522 8.522 8.867 -0.345 18296 3964 1 10 . 1 1 33 33 GLN N N 340 120.384 120.384 124.599 -4.215 18296 3965 1 10 . 1 1 33 33 GLN HA H 340 4.335 4.335 4.816 -0.481 18296 3966 1 10 . 1 1 33 33 GLN C C 340 179.377 179.377 174.485 4.892 18296 3967 1 10 . 1 1 33 33 GLN CA C 340 53.739 53.739 54.350 -0.611 18296 3968 1 10 . 1 1 33 33 GLN CB C 340 32.179 32.179 31.982 0.197 18296 3969 1 10 . 1 1 33 33 GLN H H 340 7.720 7.720 8.222 -0.502 18296 3970 1 10 . 1 1 34 34 CYS N N 341 125.463 125.463 127.034 -1.571 18296 3971 1 10 . 1 1 34 34 CYS HA H 341 4.036 4.036 4.765 -0.729 18296 3972 1 10 . 1 1 34 34 CYS C C 341 178.269 178.269 176.264 2.005 18296 3973 1 10 . 1 1 34 34 CYS CA C 341 60.992 60.992 58.799 2.193 18296 3974 1 10 . 1 1 34 34 CYS CB C 341 32.346 32.346 28.113 4.233 18296 3975 1 10 . 1 1 34 34 CYS H H 341 8.292 8.292 8.628 -0.336 18296 3976 1 10 . 1 1 35 35 HIS N N 342 126.611 126.611 127.275 -0.664 18296 3977 1 10 . 1 1 35 35 HIS HA H 342 4.128 4.128 4.312 -0.184 18296 3978 1 10 . 1 1 35 35 HIS CA C 342 57.556 57.556 57.328 0.228 18296 3979 1 10 . 1 1 35 35 HIS CB C 342 29.945 29.945 31.471 -1.526 18296 3980 1 10 . 1 1 35 35 HIS H H 342 8.722 8.722 8.356 0.366 18296 3981 1 10 . 1 1 36 36 LYS N N 343 124.049 124.049 117.233 6.816 18296 3982 1 10 . 1 1 36 36 LYS HA H 343 3.940 3.940 3.901 0.039 18296 3983 1 10 . 1 1 36 36 LYS C C 343 176.701 176.701 175.943 0.758 18296 3984 1 10 . 1 1 36 36 LYS CA C 343 56.155 56.155 56.026 0.129 18296 3985 1 10 . 1 1 36 36 LYS CB C 343 33.033 33.033 32.571 0.462 18296 3986 1 10 . 1 1 36 36 LYS H H 343 8.567 8.567 7.975 0.592 18296 3987 1 10 . 1 1 37 37 ALA N N 344 130.751 130.751 128.576 2.175 18296 3988 1 10 . 1 1 37 37 ALA HA H 344 3.733 3.733 3.210 0.523 18296 3989 1 10 . 1 1 37 37 ALA C C 344 175.302 175.302 177.695 -2.393 18296 3990 1 10 . 1 1 37 37 ALA CA C 344 53.917 53.917 53.708 0.209 18296 3991 1 10 . 1 1 37 37 ALA CB C 344 18.206 18.206 18.356 -0.150 18296 3992 1 10 . 1 1 37 37 ALA H H 344 8.363 8.363 8.459 -0.096 18296 3993 1 10 . 1 1 38 38 ASN N N 345 114.094 114.094 115.946 -1.852 18296 3994 1 10 . 1 1 38 38 ASN HA H 345 3.885 3.885 4.605 -0.720 18296 3995 1 10 . 1 1 38 38 ASN C C 345 181.195 181.195 176.414 4.781 18296 3996 1 10 . 1 1 38 38 ASN CA C 345 53.606 53.606 54.982 -1.376 18296 3997 1 10 . 1 1 38 38 ASN CB C 345 37.443 37.443 38.754 -1.311 18296 3998 1 10 . 1 1 38 38 ASN H H 345 8.292 8.292 8.456 -0.164 18296 3999 1 10 . 1 1 39 39 CYS N N 346 121.417 121.417 118.479 2.938 18296 4000 1 10 . 1 1 39 39 CYS C C 346 178.723 178.723 175.833 2.890 18296 4001 1 10 . 1 1 39 39 CYS H H 346 7.283 7.283 7.756 -0.473 18296 4002 1 10 . 1 1 40 40 TYR HA H 347 4.212 4.212 4.267 -0.055 18296 4003 1 10 . 1 1 40 40 TYR C C 347 178.156 178.156 174.435 3.721 18296 4004 1 10 . 1 1 40 40 TYR CA C 347 56.478 56.478 59.135 -2.657 18296 4005 1 10 . 1 1 40 40 TYR CB C 347 37.446 37.446 35.570 1.876 18296 4006 1 10 . 1 1 40 40 TYR H H 347 7.923 7.923 8.090 -0.167 18296 4007 1 10 . 1 1 41 41 THR N N 348 122.674 122.674 115.393 7.281 18296 4008 1 10 . 1 1 41 41 THR HA H 348 3.806 3.806 4.732 -0.926 18296 4009 1 10 . 1 1 41 41 THR C C 348 182.343 182.343 173.171 9.172 18296 4010 1 10 . 1 1 41 41 THR CA C 348 64.932 64.932 61.604 3.328 18296 4011 1 10 . 1 1 41 41 THR CB C 348 68.772 68.772 71.260 -2.488 18296 4012 1 10 . 1 1 41 41 THR H H 348 8.421 8.421 7.754 0.667 18296 4013 1 10 . 1 1 42 42 ALA N N 349 130.177 130.177 127.151 3.026 18296 4014 1 10 . 1 1 42 42 ALA HA H 349 4.967 4.967 5.364 -0.397 18296 4015 1 10 . 1 1 42 42 ALA C C 349 176.955 176.955 175.958 0.997 18296 4016 1 10 . 1 1 42 42 ALA CA C 349 49.997 49.997 50.767 -0.770 18296 4017 1 10 . 1 1 42 42 ALA CB C 349 23.467 23.467 21.660 1.807 18296 4018 1 10 . 1 1 42 42 ALA H H 349 8.856 8.856 8.787 0.069 18296 4019 1 10 . 1 1 43 43 PHE N N 350 113.053 113.053 118.923 -5.870 18296 4020 1 10 . 1 1 43 43 PHE HA H 350 5.525 5.525 4.779 0.746 18296 4021 1 10 . 1 1 43 43 PHE C C 350 177.894 177.894 173.402 4.492 18296 4022 1 10 . 1 1 43 43 PHE CA C 350 53.625 53.625 56.312 -2.687 18296 4023 1 10 . 1 1 43 43 PHE CB C 350 39.459 39.459 40.834 -1.375 18296 4024 1 10 . 1 1 43 43 PHE H H 350 7.912 7.912 8.989 -1.077 18296 4025 1 10 . 1 1 44 44 HIS N N 351 118.497 118.497 118.415 0.082 18296 4026 1 10 . 1 1 44 44 HIS HA H 351 4.892 4.892 4.835 0.057 18296 4027 1 10 . 1 1 44 44 HIS C C 351 176.371 176.371 176.831 -0.460 18296 4028 1 10 . 1 1 44 44 HIS CA C 351 58.019 58.019 57.051 0.968 18296 4029 1 10 . 1 1 44 44 HIS CB C 351 31.716 31.716 30.218 1.498 18296 4030 1 10 . 1 1 44 44 HIS H H 351 9.335 9.335 8.474 0.861 18296 4031 1 10 . 1 1 45 45 VAL N N 352 124.407 124.407 122.589 1.818 18296 4032 1 10 . 1 1 45 45 VAL HA H 352 3.476 3.476 3.721 -0.245 18296 4033 1 10 . 1 1 45 45 VAL C C 352 175.305 175.305 177.645 -2.340 18296 4034 1 10 . 1 1 45 45 VAL CA C 352 67.359 67.359 67.544 -0.185 18296 4035 1 10 . 1 1 45 45 VAL CB C 352 31.627 31.627 31.794 -0.167 18296 4036 1 10 . 1 1 45 45 VAL H H 352 8.654 8.654 8.156 0.498 18296 4037 1 10 . 1 1 46 46 THR N N 353 111.166 111.166 115.943 -4.777 18296 4038 1 10 . 1 1 46 46 THR HA H 353 3.997 3.997 4.209 -0.212 18296 4039 1 10 . 1 1 46 46 THR C C 353 175.010 175.010 176.314 -1.304 18296 4040 1 10 . 1 1 46 46 THR CA C 353 65.008 65.008 65.607 -0.599 18296 4041 1 10 . 1 1 46 46 THR CB C 353 67.830 67.830 68.308 -0.478 18296 4042 1 10 . 1 1 46 46 THR H H 353 8.370 8.370 8.270 0.100 18296 4043 1 10 . 1 1 47 47 CYS N N 354 120.975 120.975 119.414 1.561 18296 4044 1 10 . 1 1 47 47 CYS HA H 354 3.762 3.762 4.112 -0.350 18296 4045 1 10 . 1 1 47 47 CYS C C 354 175.912 175.912 177.126 -1.214 18296 4046 1 10 . 1 1 47 47 CYS CA C 354 63.372 63.372 62.779 0.593 18296 4047 1 10 . 1 1 47 47 CYS CB C 354 29.076 29.076 25.793 3.283 18296 4048 1 10 . 1 1 47 47 CYS H H 354 6.668 6.668 8.658 -1.990 18296 4049 1 10 . 1 1 48 48 ALA N N 355 123.247 123.247 123.316 -0.069 18296 4050 1 10 . 1 1 48 48 ALA HA H 355 3.511 3.511 4.099 -0.588 18296 4051 1 10 . 1 1 48 48 ALA C C 355 174.031 174.031 179.548 -5.517 18296 4052 1 10 . 1 1 48 48 ALA CA C 355 55.045 55.045 55.283 -0.238 18296 4053 1 10 . 1 1 48 48 ALA CB C 355 19.962 19.962 18.710 1.252 18296 4054 1 10 . 1 1 48 48 ALA H H 355 8.481 8.481 7.961 0.520 18296 4055 1 10 . 1 1 49 49 GLN N N 356 118.150 118.150 117.769 0.381 18296 4056 1 10 . 1 1 49 49 GLN HA H 356 4.003 4.003 3.997 0.006 18296 4057 1 10 . 1 1 49 49 GLN C C 356 173.755 173.755 178.708 -4.953 18296 4058 1 10 . 1 1 49 49 GLN CA C 356 58.728 58.728 58.732 -0.004 18296 4059 1 10 . 1 1 49 49 GLN CB C 356 28.196 28.196 28.709 -0.513 18296 4060 1 10 . 1 1 49 49 GLN H H 356 8.055 8.055 7.872 0.183 18296 4061 1 10 . 1 1 50 50 LYS N N 357 120.248 120.248 118.951 1.297 18296 4062 1 10 . 1 1 50 50 LYS HA H 357 3.866 3.866 4.153 -0.287 18296 4063 1 10 . 1 1 50 50 LYS C C 357 175.624 175.624 178.504 -2.880 18296 4064 1 10 . 1 1 50 50 LYS CA C 357 58.989 58.989 58.132 0.857 18296 4065 1 10 . 1 1 50 50 LYS CB C 357 32.377 32.377 32.712 -0.336 18296 4066 1 10 . 1 1 50 50 LYS H H 357 7.628 7.628 7.761 -0.133 18296 4067 1 10 . 1 1 51 51 ALA N N 358 118.343 118.343 119.450 -1.107 18296 4068 1 10 . 1 1 51 51 ALA HA H 358 4.138 4.138 4.211 -0.073 18296 4069 1 10 . 1 1 51 51 ALA C C 358 176.132 176.132 178.257 -2.125 18296 4070 1 10 . 1 1 51 51 ALA CA C 358 52.263 52.263 53.302 -1.039 18296 4071 1 10 . 1 1 51 51 ALA CB C 358 19.690 19.690 19.352 0.338 18296 4072 1 10 . 1 1 51 51 ALA H H 358 7.558 7.558 7.851 -0.293 18296 4073 1 10 . 1 1 52 52 GLY N N 359 107.058 107.058 106.265 0.793 18296 4074 1 10 . 1 1 52 52 GLY C C 359 178.221 178.221 174.627 3.594 18296 4075 1 10 . 1 1 52 52 GLY CA C 359 46.323 46.323 45.218 1.105 18296 4076 1 10 . 1 1 52 52 GLY H H 359 7.481 7.481 8.146 -0.665 18296 4077 1 10 . 1 1 53 53 LEU N N 360 118.335 118.335 116.159 2.176 18296 4078 1 10 . 1 1 53 53 LEU HA H 360 4.002 4.002 4.542 -0.540 18296 4079 1 10 . 1 1 53 53 LEU C C 360 176.917 176.917 176.747 0.170 18296 4080 1 10 . 1 1 53 53 LEU CA C 360 54.926 54.926 54.335 0.591 18296 4081 1 10 . 1 1 53 53 LEU CB C 360 39.949 39.949 42.535 -2.586 18296 4082 1 10 . 1 1 53 53 LEU H H 360 7.502 7.502 7.239 0.263 18296 4083 1 10 . 1 1 54 54 TYR N N 361 124.191 124.191 121.478 2.713 18296 4084 1 10 . 1 1 54 54 TYR HA H 361 4.024 4.024 4.489 -0.465 18296 4085 1 10 . 1 1 54 54 TYR C C 361 178.584 178.584 175.082 3.502 18296 4086 1 10 . 1 1 54 54 TYR CA C 361 59.385 59.385 59.673 -0.288 18296 4087 1 10 . 1 1 54 54 TYR CB C 361 39.068 39.068 39.475 -0.407 18296 4088 1 10 . 1 1 54 54 TYR H H 361 9.307 9.307 8.684 0.623 18296 4089 1 10 . 1 1 55 55 MET N N 362 127.473 127.473 126.613 0.860 18296 4090 1 10 . 1 1 55 55 MET HA H 362 4.953 4.953 4.637 0.316 18296 4091 1 10 . 1 1 55 55 MET C C 362 179.342 179.342 174.609 4.733 18296 4092 1 10 . 1 1 55 55 MET CA C 362 54.918 54.918 54.151 0.767 18296 4093 1 10 . 1 1 55 55 MET CB C 362 35.857 35.857 36.208 -0.351 18296 4094 1 10 . 1 1 55 55 MET H H 362 7.575 7.575 7.847 -0.272 18296 4095 1 10 . 1 1 56 56 LYS N N 363 124.429 124.429 122.411 2.018 18296 4096 1 10 . 1 1 56 56 LYS HA H 363 4.339 4.339 4.635 -0.296 18296 4097 1 10 . 1 1 56 56 LYS C C 363 178.541 178.541 174.788 3.753 18296 4098 1 10 . 1 1 56 56 LYS CA C 363 54.939 54.939 54.532 0.407 18296 4099 1 10 . 1 1 56 56 LYS CB C 363 35.977 35.977 36.079 -0.102 18296 4100 1 10 . 1 1 56 56 LYS H H 363 8.575 8.575 8.521 0.054 18296 4101 1 10 . 1 1 57 57 MET N N 364 123.350 123.350 119.937 3.413 18296 4102 1 10 . 1 1 57 57 MET HA H 364 4.801 4.801 4.608 0.193 18296 4103 1 10 . 1 1 57 57 MET C C 364 178.016 178.016 174.587 3.429 18296 4104 1 10 . 1 1 57 57 MET CA C 364 54.111 54.111 55.463 -1.352 18296 4105 1 10 . 1 1 57 57 MET H H 364 8.484 8.484 8.550 -0.066 18296 4106 1 10 . 1 1 58 58 GLU N N 365 121.319 121.319 123.070 -1.751 18296 4107 1 10 . 1 1 58 58 GLU H H 365 8.193 8.193 8.444 -0.251 18296 4108 1 10 . 1 1 59 59 PRO HA H 366 4.665 4.665 4.475 0.190 18296 4109 1 10 . 1 1 59 59 PRO C C 366 176.742 176.742 175.474 1.268 18296 4110 1 10 . 1 1 59 59 PRO CA C 366 62.524 62.524 62.533 -0.009 18296 4111 1 10 . 1 1 59 59 PRO CB C 366 32.125 32.125 32.462 -0.337 18296 4112 1 10 . 1 1 60 60 VAL N N 367 122.754 122.754 121.477 1.277 18296 4113 1 10 . 1 1 60 60 VAL HA H 367 4.105 4.105 4.577 -0.472 18296 4114 1 10 . 1 1 60 60 VAL C C 367 178.435 178.435 174.165 4.270 18296 4115 1 10 . 1 1 60 60 VAL CA C 367 61.529 61.529 58.881 2.648 18296 4116 1 10 . 1 1 60 60 VAL CB C 367 34.057 34.057 36.036 -1.979 18296 4117 1 10 . 1 1 60 60 VAL H H 367 8.509 8.509 8.066 0.443 18296 4118 1 10 . 1 1 61 61 LYS N N 368 126.381 126.381 121.652 4.729 18296 4119 1 10 . 1 1 61 61 LYS HA H 368 4.180 4.180 4.726 -0.546 18296 4120 1 10 . 1 1 61 61 LYS C C 368 177.499 177.499 176.662 0.837 18296 4121 1 10 . 1 1 61 61 LYS CA C 368 56.047 56.047 55.014 1.033 18296 4122 1 10 . 1 1 61 61 LYS CB C 368 33.313 33.313 33.582 -0.269 18296 4123 1 10 . 1 1 61 61 LYS H H 368 8.379 8.379 8.188 0.191 18296 4124 1 10 . 1 1 62 62 GLU N N 369 123.927 123.927 116.538 7.389 18296 4125 1 10 . 1 1 62 62 GLU HA H 369 4.246 4.246 3.950 0.296 18296 4126 1 10 . 1 1 62 62 GLU C C 369 177.861 177.861 175.171 2.690 18296 4127 1 10 . 1 1 62 62 GLU CA C 369 55.596 55.596 58.234 -2.638 18296 4128 1 10 . 1 1 62 62 GLU CB C 369 31.289 31.289 29.552 1.737 18296 4129 1 10 . 1 1 62 62 GLU H H 369 8.355 8.355 8.395 -0.040 18296 4130 1 10 . 1 1 63 63 LEU N N 370 124.406 124.406 117.787 6.619 18296 4131 1 10 . 1 1 63 63 LEU HA H 370 4.356 4.356 4.537 -0.181 18296 4132 1 10 . 1 1 63 63 LEU C C 370 176.026 176.026 175.740 0.286 18296 4133 1 10 . 1 1 63 63 LEU CA C 370 55.223 55.223 56.082 -0.859 18296 4134 1 10 . 1 1 63 63 LEU CB C 370 42.061 42.061 45.442 -3.381 18296 4135 1 10 . 1 1 63 63 LEU H H 370 8.419 8.419 8.221 0.198 18296 4136 1 10 . 1 1 64 64 THR N N 371 114.722 114.722 110.819 3.903 18296 4137 1 10 . 1 1 64 64 THR HA H 371 4.306 4.306 4.586 -0.280 18296 4138 1 10 . 1 1 64 64 THR C C 371 178.158 178.158 175.039 3.119 18296 4139 1 10 . 1 1 64 64 THR CA C 371 61.196 61.196 60.427 0.769 18296 4140 1 10 . 1 1 64 64 THR CB C 371 70.416 70.416 71.415 -0.999 18296 4141 1 10 . 1 1 64 64 THR H H 371 7.966 7.966 8.225 -0.259 18296 4142 1 10 . 1 1 65 65 GLY N N 372 111.711 111.711 107.884 3.827 18296 4143 1 10 . 1 1 65 65 GLY C C 372 178.512 178.512 175.156 3.356 18296 4144 1 10 . 1 1 65 65 GLY CA C 372 46.227 46.227 46.297 -0.070 18296 4145 1 10 . 1 1 65 65 GLY H H 372 8.565 8.565 8.505 0.060 18296 4146 1 10 . 1 1 66 66 GLY N N 373 108.771 108.771 108.974 -0.203 18296 4147 1 10 . 1 1 66 66 GLY C C 373 178.999 178.999 174.621 4.378 18296 4148 1 10 . 1 1 66 66 GLY CA C 373 45.287 45.287 44.783 0.504 18296 4149 1 10 . 1 1 66 66 GLY H H 373 8.227 8.227 8.081 0.146 18296 4150 1 10 . 1 1 67 67 GLY N N 374 108.901 108.901 110.712 -1.811 18296 4151 1 10 . 1 1 67 67 GLY C C 374 179.721 179.721 173.270 6.451 18296 4152 1 10 . 1 1 67 67 GLY CA C 374 44.987 44.987 45.139 -0.152 18296 4153 1 10 . 1 1 67 67 GLY H H 374 7.876 7.876 7.691 0.185 18296 4154 1 10 . 1 1 68 68 THR N N 375 114.505 114.505 120.926 -6.421 18296 4155 1 10 . 1 1 68 68 THR HA H 375 4.450 4.450 4.569 -0.119 18296 4156 1 10 . 1 1 68 68 THR C C 375 178.997 178.997 173.684 5.313 18296 4157 1 10 . 1 1 68 68 THR CA C 375 61.900 61.900 61.563 0.337 18296 4158 1 10 . 1 1 68 68 THR CB C 375 70.047 70.047 70.097 -0.051 18296 4159 1 10 . 1 1 68 68 THR H H 375 8.112 8.112 8.225 -0.113 18296 4160 1 10 . 1 1 69 69 THR N N 376 118.054 118.054 119.597 -1.543 18296 4161 1 10 . 1 1 69 69 THR HA H 376 4.302 4.302 4.587 -0.285 18296 4162 1 10 . 1 1 69 69 THR C C 376 180.403 180.403 172.562 7.841 18296 4163 1 10 . 1 1 69 69 THR CA C 376 61.114 61.114 60.614 0.500 18296 4164 1 10 . 1 1 69 69 THR CB C 376 70.422 70.422 69.599 0.823 18296 4165 1 10 . 1 1 69 69 THR H H 376 8.259 8.259 8.143 0.116 18296 4166 1 10 . 1 1 70 70 PHE N N 377 122.009 122.009 117.970 4.039 18296 4167 1 10 . 1 1 70 70 PHE HA H 377 4.910 4.910 4.952 -0.042 18296 4168 1 10 . 1 1 70 70 PHE C C 377 177.972 177.972 174.734 3.238 18296 4169 1 10 . 1 1 70 70 PHE CA C 377 57.227 57.227 55.799 1.428 18296 4170 1 10 . 1 1 70 70 PHE CB C 377 40.873 40.873 40.913 -0.040 18296 4171 1 10 . 1 1 70 70 PHE H H 377 8.351 8.351 7.598 0.753 18296 4172 1 10 . 1 1 71 71 SER N N 378 117.853 117.853 114.898 2.955 18296 4173 1 10 . 1 1 71 71 SER HA H 378 4.493 4.493 4.870 -0.377 18296 4174 1 10 . 1 1 71 71 SER C C 378 180.063 180.063 172.514 7.549 18296 4175 1 10 . 1 1 71 71 SER CA C 378 57.276 57.276 57.951 -0.675 18296 4176 1 10 . 1 1 71 71 SER CB C 378 64.612 64.612 65.910 -1.298 18296 4177 1 10 . 1 1 71 71 SER H H 378 8.519 8.519 8.695 -0.176 18296 4178 1 10 . 1 1 72 72 VAL N N 379 120.162 120.162 119.597 0.565 18296 4179 1 10 . 1 1 72 72 VAL HA H 379 4.441 4.441 4.286 0.155 18296 4180 1 10 . 1 1 72 72 VAL C C 379 178.192 178.192 174.362 3.830 18296 4181 1 10 . 1 1 72 72 VAL CA C 379 61.369 61.369 61.961 -0.592 18296 4182 1 10 . 1 1 72 72 VAL CB C 379 33.944 33.944 34.806 -0.862 18296 4183 1 10 . 1 1 72 72 VAL H H 379 8.277 8.277 8.386 -0.109 18296 4184 1 10 . 1 1 73 73 ARG N N 380 126.538 126.538 124.706 1.832 18296 4185 1 10 . 1 1 73 73 ARG HA H 380 4.430 4.430 4.727 -0.297 18296 4186 1 10 . 1 1 73 73 ARG C C 380 177.524 177.524 174.772 2.752 18296 4187 1 10 . 1 1 73 73 ARG CA C 380 54.744 54.744 54.970 -0.226 18296 4188 1 10 . 1 1 73 73 ARG CB C 380 32.635 32.635 31.644 0.991 18296 4189 1 10 . 1 1 73 73 ARG H H 380 8.727 8.727 8.410 0.317 18296 4190 1 10 . 1 1 74 74 LYS N N 381 126.485 126.485 125.716 0.769 18296 4191 1 10 . 1 1 74 74 LYS HA H 381 4.613 4.613 4.337 0.276 18296 4192 1 10 . 1 1 74 74 LYS C C 381 178.050 178.050 176.095 1.955 18296 4193 1 10 . 1 1 74 74 LYS CA C 381 56.325 56.325 55.870 0.455 18296 4194 1 10 . 1 1 74 74 LYS CB C 381 33.149 33.149 33.549 -0.400 18296 4195 1 10 . 1 1 74 74 LYS H H 381 8.636 8.636 8.563 0.073 18296 4196 1 10 . 1 1 75 75 THR N N 382 120.767 120.767 122.474 -1.707 18296 4197 1 10 . 1 1 75 75 THR HA H 382 3.791 3.791 4.330 -0.539 18296 4198 1 10 . 1 1 75 75 THR C C 382 181.578 181.578 172.462 9.116 18296 4199 1 10 . 1 1 75 75 THR CA C 382 61.703 61.703 61.684 0.019 18296 4200 1 10 . 1 1 75 75 THR CB C 382 70.771 70.771 69.867 0.904 18296 4201 1 10 . 1 1 75 75 THR H H 382 8.544 8.544 8.046 0.498 18296 4202 1 10 . 1 1 76 76 ALA N N 383 126.390 126.390 129.104 -2.714 18296 4203 1 10 . 1 1 76 76 ALA HA H 383 5.358 5.358 4.661 0.697 18296 4204 1 10 . 1 1 76 76 ALA C C 383 178.931 178.931 175.489 3.442 18296 4205 1 10 . 1 1 76 76 ALA CA C 383 50.669 50.669 50.605 0.064 18296 4206 1 10 . 1 1 76 76 ALA CB C 383 24.682 24.682 21.523 3.159 18296 4207 1 10 . 1 1 76 76 ALA H H 383 7.981 7.981 8.333 -0.352 18296 4208 1 10 . 1 1 77 77 TYR N N 384 116.182 116.182 119.461 -3.279 18296 4209 1 10 . 1 1 77 77 TYR HA H 384 5.920 5.920 4.964 0.956 18296 4210 1 10 . 1 1 77 77 TYR C C 384 177.384 177.384 176.083 1.301 18296 4211 1 10 . 1 1 77 77 TYR CA C 384 56.234 56.234 56.757 -0.523 18296 4212 1 10 . 1 1 77 77 TYR CB C 384 43.201 43.201 41.333 1.868 18296 4213 1 10 . 1 1 77 77 TYR H H 384 7.899 7.899 8.350 -0.451 18296 4214 1 10 . 1 1 78 78 CYS N N 385 121.146 121.146 118.296 2.850 18296 4215 1 10 . 1 1 78 78 CYS HA H 385 4.312 4.312 4.059 0.253 18296 4216 1 10 . 1 1 78 78 CYS C C 385 178.543 178.543 176.148 2.395 18296 4217 1 10 . 1 1 78 78 CYS CA C 385 58.293 58.293 58.425 -0.132 18296 4218 1 10 . 1 1 78 78 CYS CB C 385 29.815 29.815 29.054 0.761 18296 4219 1 10 . 1 1 78 78 CYS H H 385 9.855 9.855 8.585 1.270 18296 4220 1 10 . 1 1 79 79 ASP N N 386 115.334 115.334 120.839 -5.505 18296 4221 1 10 . 1 1 79 79 ASP HA H 386 3.946 3.946 4.554 -0.608 18296 4222 1 10 . 1 1 79 79 ASP C C 386 175.510 175.510 177.533 -2.023 18296 4223 1 10 . 1 1 79 79 ASP CA C 386 57.118 57.118 56.316 0.802 18296 4224 1 10 . 1 1 79 79 ASP CB C 386 40.495 40.495 41.391 -0.896 18296 4225 1 10 . 1 1 79 79 ASP H H 386 7.657 7.657 8.280 -0.623 18296 4226 1 10 . 1 1 80 80 VAL N N 387 119.872 119.872 113.007 6.865 18296 4227 1 10 . 1 1 80 80 VAL HA H 387 3.579 3.579 4.105 -0.526 18296 4228 1 10 . 1 1 80 80 VAL C C 387 176.437 176.437 175.914 0.523 18296 4229 1 10 . 1 1 80 80 VAL CA C 387 64.272 64.272 63.145 1.127 18296 4230 1 10 . 1 1 80 80 VAL CB C 387 31.798 31.798 30.982 0.816 18296 4231 1 10 . 1 1 80 80 VAL H H 387 7.601 7.601 7.512 0.089 18296 4232 1 10 . 1 1 81 81 HIS N N 388 119.244 119.244 119.447 -0.203 18296 4233 1 10 . 1 1 81 81 HIS HA H 388 4.632 4.632 4.558 0.074 18296 4234 1 10 . 1 1 81 81 HIS C C 388 180.644 180.644 176.239 4.405 18296 4235 1 10 . 1 1 81 81 HIS CA C 388 56.212 56.212 59.347 -3.135 18296 4236 1 10 . 1 1 81 81 HIS CB C 388 31.774 31.774 31.572 0.202 18296 4237 1 10 . 1 1 81 81 HIS H H 388 7.385 7.385 7.794 -0.409 18296 4238 1 10 . 1 1 82 82 THR N N 389 117.899 117.899 114.593 3.306 18296 4239 1 10 . 1 1 82 82 THR HA H 389 3.733 3.733 4.499 -0.766 18296 4240 1 10 . 1 1 82 82 THR C C 389 181.155 181.155 174.058 7.097 18296 4241 1 10 . 1 1 82 82 THR CA C 389 61.844 61.844 65.704 -3.860 18296 4242 1 10 . 1 1 82 82 THR CB C 389 70.285 70.285 67.160 3.125 18296 4243 1 10 . 1 1 82 82 THR H H 389 7.133 7.133 7.655 -0.522 18296 4244 1 10 . 1 1 83 83 PRO HA H 390 4.192 4.192 4.324 -0.132 18296 4245 1 10 . 1 1 83 83 PRO CA C 390 61.509 61.509 64.151 -2.642 18296 4246 1 10 . 1 1 83 83 PRO CB C 390 30.773 30.773 30.097 0.676 18296 4247 1 10 . 1 1 84 84 PRO HA H 391 4.220 4.220 4.353 -0.133 18296 4248 1 10 . 1 1 84 84 PRO C C 391 175.949 175.949 176.990 -1.041 18296 4249 1 10 . 1 1 84 84 PRO CA C 391 63.032 63.032 62.599 0.433 18296 4250 1 10 . 1 1 84 84 PRO CB C 391 31.983 31.983 31.979 0.004 18296 4251 1 10 . 1 1 85 85 GLY N N 392 109.626 109.626 107.961 1.665 18296 4252 1 10 . 1 1 85 85 GLY C C 392 179.223 179.223 173.842 5.381 18296 4253 1 10 . 1 1 85 85 GLY CA C 392 45.359 45.359 45.087 0.272 18296 4254 1 10 . 1 1 85 85 GLY H H 392 8.367 8.367 8.484 -0.117 18296 4255 1 10 . 1 1 86 86 SER N N 393 115.675 115.675 119.774 -4.099 18296 4256 1 10 . 1 1 86 86 SER HA H 393 4.354 4.354 4.570 -0.216 18296 4257 1 10 . 1 1 86 86 SER C C 393 179.569 179.569 174.784 4.785 18296 4258 1 10 . 1 1 86 86 SER CA C 393 58.521 58.521 58.239 0.282 18296 4259 1 10 . 1 1 86 86 SER CB C 393 63.913 63.913 64.151 -0.238 18296 4260 1 10 . 1 1 86 86 SER H H 393 8.022 8.022 8.407 -0.385 18296 4261 1 11 . 1 1 10 10 ASN N N 317 120.101 120.101 118.142 1.959 18296 4262 1 11 . 1 1 10 10 ASN HA H 317 4.501 4.501 4.972 -0.471 18296 4263 1 11 . 1 1 10 10 ASN C C 317 179.015 179.015 174.407 4.608 18296 4264 1 11 . 1 1 10 10 ASN CA C 317 53.191 53.191 53.066 0.126 18296 4265 1 11 . 1 1 10 10 ASN CB C 317 38.650 38.650 40.514 -1.864 18296 4266 1 11 . 1 1 10 10 ASN H H 317 8.415 8.415 8.283 0.132 18296 4267 1 11 . 1 1 11 11 ILE N N 318 122.869 122.869 125.289 -2.420 18296 4268 1 11 . 1 1 11 11 ILE HA H 318 4.250 4.250 4.271 -0.021 18296 4269 1 11 . 1 1 11 11 ILE C C 318 179.506 179.506 174.168 5.338 18296 4270 1 11 . 1 1 11 11 ILE CA C 318 58.332 58.332 59.552 -1.220 18296 4271 1 11 . 1 1 11 11 ILE CB C 318 38.713 38.713 37.553 1.160 18296 4272 1 11 . 1 1 11 11 ILE H H 318 7.924 7.924 8.106 -0.182 18296 4273 1 11 . 1 1 12 12 PRO HA H 319 4.359 4.359 4.748 -0.389 18296 4274 1 11 . 1 1 12 12 PRO CA C 319 61.487 61.487 61.388 0.099 18296 4275 1 11 . 1 1 12 12 PRO CB C 319 30.960 30.960 31.430 -0.470 18296 4276 1 11 . 1 1 13 13 PRO HA H 320 3.968 3.968 4.403 -0.435 18296 4277 1 11 . 1 1 13 13 PRO C C 320 176.730 176.730 175.928 0.802 18296 4278 1 11 . 1 1 13 13 PRO CA C 320 62.874 62.874 62.963 -0.089 18296 4279 1 11 . 1 1 13 13 PRO CB C 320 31.948 31.948 32.250 -0.302 18296 4280 1 11 . 1 1 14 14 ALA N N 321 123.469 123.469 127.144 -3.675 18296 4281 1 11 . 1 1 14 14 ALA HA H 321 3.952 3.952 4.122 -0.170 18296 4282 1 11 . 1 1 14 14 ALA C C 321 175.208 175.208 177.160 -1.952 18296 4283 1 11 . 1 1 14 14 ALA CA C 321 52.876 52.876 52.295 0.581 18296 4284 1 11 . 1 1 14 14 ALA CB C 321 18.896 18.896 19.436 -0.540 18296 4285 1 11 . 1 1 14 14 ALA H H 321 8.108 8.108 8.176 -0.068 18296 4286 1 11 . 1 1 15 15 ARG N N 322 118.725 118.725 122.488 -3.763 18296 4287 1 11 . 1 1 15 15 ARG HA H 322 3.943 3.943 4.517 -0.574 18296 4288 1 11 . 1 1 15 15 ARG C C 322 176.870 176.870 175.558 1.312 18296 4289 1 11 . 1 1 15 15 ARG CA C 322 56.737 56.737 54.794 1.944 18296 4290 1 11 . 1 1 15 15 ARG CB C 322 30.230 30.230 28.408 1.822 18296 4291 1 11 . 1 1 15 15 ARG H H 322 8.077 8.077 8.645 -0.568 18296 4292 1 11 . 1 1 16 16 TRP N N 323 120.113 120.113 123.292 -3.179 18296 4293 1 11 . 1 1 16 16 TRP HA H 323 4.471 4.471 4.815 -0.344 18296 4294 1 11 . 1 1 16 16 TRP C C 323 177.322 177.322 174.938 2.384 18296 4295 1 11 . 1 1 16 16 TRP CA C 323 57.143 57.143 53.117 4.026 18296 4296 1 11 . 1 1 16 16 TRP CB C 323 29.192 29.192 27.620 1.572 18296 4297 1 11 . 1 1 16 16 TRP H H 323 7.634 7.634 8.007 -0.373 18296 4298 1 11 . 1 1 17 17 LYS N N 324 121.400 121.400 123.250 -1.850 18296 4299 1 11 . 1 1 17 17 LYS HA H 324 3.951 3.951 4.469 -0.518 18296 4300 1 11 . 1 1 17 17 LYS C C 324 179.457 179.457 175.905 3.552 18296 4301 1 11 . 1 1 17 17 LYS CA C 324 56.502 56.502 55.341 1.161 18296 4302 1 11 . 1 1 17 17 LYS CB C 324 32.867 32.867 33.266 -0.399 18296 4303 1 11 . 1 1 17 17 LYS H H 324 7.735 7.735 7.874 -0.139 18296 4304 1 11 . 1 1 18 18 LEU N N 325 121.064 121.064 121.202 -0.138 18296 4305 1 11 . 1 1 18 18 LEU HA H 325 4.141 4.141 4.859 -0.718 18296 4306 1 11 . 1 1 18 18 LEU C C 325 176.781 176.781 175.915 0.866 18296 4307 1 11 . 1 1 18 18 LEU CA C 325 54.574 54.574 53.566 1.008 18296 4308 1 11 . 1 1 18 18 LEU CB C 325 42.252 42.252 42.859 -0.607 18296 4309 1 11 . 1 1 18 18 LEU H H 325 7.708 7.708 7.977 -0.269 18296 4310 1 11 . 1 1 19 19 THR N N 326 117.252 117.252 115.473 1.779 18296 4311 1 11 . 1 1 19 19 THR HA H 326 3.935 3.935 4.614 -0.679 18296 4312 1 11 . 1 1 19 19 THR C C 326 180.854 180.854 173.156 7.698 18296 4313 1 11 . 1 1 19 19 THR CA C 326 61.977 61.977 61.603 0.374 18296 4314 1 11 . 1 1 19 19 THR CB C 326 70.166 70.166 70.126 0.040 18296 4315 1 11 . 1 1 19 19 THR H H 326 7.915 7.915 8.167 -0.252 18296 4316 1 11 . 1 1 20 20 CYS N N 327 127.254 127.254 121.992 5.262 18296 4317 1 11 . 1 1 20 20 CYS HA H 327 4.324 4.324 5.246 -0.922 18296 4318 1 11 . 1 1 20 20 CYS C C 327 175.898 175.898 175.862 0.036 18296 4319 1 11 . 1 1 20 20 CYS CA C 327 57.928 57.928 56.355 1.573 18296 4320 1 11 . 1 1 20 20 CYS CB C 327 31.298 31.298 29.669 1.629 18296 4321 1 11 . 1 1 20 20 CYS H H 327 8.055 8.055 8.497 -0.442 18296 4322 1 11 . 1 1 21 21 TYR N N 328 129.752 129.752 120.865 8.887 18296 4323 1 11 . 1 1 21 21 TYR HA H 328 4.488 4.488 4.692 -0.204 18296 4324 1 11 . 1 1 21 21 TYR C C 328 178.625 178.625 176.734 1.891 18296 4325 1 11 . 1 1 21 21 TYR CA C 328 58.951 58.951 59.219 -0.268 18296 4326 1 11 . 1 1 21 21 TYR CB C 328 37.712 37.712 38.544 -0.832 18296 4327 1 11 . 1 1 21 21 TYR H H 328 9.082 9.082 8.173 0.909 18296 4328 1 11 . 1 1 22 22 LEU N N 329 124.057 124.057 118.261 5.796 18296 4329 1 11 . 1 1 22 22 LEU HA H 329 3.749 3.749 4.300 -0.551 18296 4330 1 11 . 1 1 22 22 LEU C C 329 176.268 176.268 176.493 -0.225 18296 4331 1 11 . 1 1 22 22 LEU CA C 329 56.514 56.514 55.372 1.142 18296 4332 1 11 . 1 1 22 22 LEU CB C 329 42.975 42.975 42.231 0.744 18296 4333 1 11 . 1 1 22 22 LEU H H 329 8.140 8.140 7.333 0.807 18296 4334 1 11 . 1 1 23 23 CYS N N 330 117.734 117.734 116.066 1.668 18296 4335 1 11 . 1 1 23 23 CYS HA H 330 4.741 4.741 4.744 -0.003 18296 4336 1 11 . 1 1 23 23 CYS C C 330 177.769 177.769 172.586 5.183 18296 4337 1 11 . 1 1 23 23 CYS CA C 330 58.459 58.459 56.744 1.715 18296 4338 1 11 . 1 1 23 23 CYS CB C 330 30.918 30.918 30.597 0.321 18296 4339 1 11 . 1 1 23 23 CYS H H 330 7.971 7.971 7.173 0.798 18296 4340 1 11 . 1 1 24 24 LYS N N 331 118.437 118.437 119.879 -1.442 18296 4341 1 11 . 1 1 24 24 LYS HA H 331 3.980 3.980 4.471 -0.491 18296 4342 1 11 . 1 1 24 24 LYS C C 331 178.178 178.178 175.043 3.135 18296 4343 1 11 . 1 1 24 24 LYS CA C 331 57.520 57.520 56.343 1.177 18296 4344 1 11 . 1 1 24 24 LYS CB C 331 29.278 29.278 32.444 -3.166 18296 4345 1 11 . 1 1 24 24 LYS H H 331 7.842 7.842 8.332 -0.490 18296 4346 1 11 . 1 1 25 25 GLN N N 332 118.445 118.445 119.823 -1.378 18296 4347 1 11 . 1 1 25 25 GLN HA H 332 4.574 4.574 4.535 0.039 18296 4348 1 11 . 1 1 25 25 GLN C C 332 177.619 177.619 175.198 2.421 18296 4349 1 11 . 1 1 25 25 GLN CA C 332 54.362 54.362 55.207 -0.845 18296 4350 1 11 . 1 1 25 25 GLN CB C 332 31.843 31.843 30.804 1.039 18296 4351 1 11 . 1 1 25 25 GLN H H 332 8.306 8.306 8.231 0.075 18296 4352 1 11 . 1 1 26 26 LYS N N 333 122.851 122.851 123.057 -0.206 18296 4353 1 11 . 1 1 26 26 LYS HA H 333 4.222 4.222 4.446 -0.224 18296 4354 1 11 . 1 1 26 26 LYS C C 333 175.456 175.456 176.549 -1.093 18296 4355 1 11 . 1 1 26 26 LYS CA C 333 57.729 57.729 56.114 1.615 18296 4356 1 11 . 1 1 26 26 LYS CB C 333 32.925 32.925 30.797 2.128 18296 4357 1 11 . 1 1 26 26 LYS H H 333 8.545 8.545 8.680 -0.135 18296 4358 1 11 . 1 1 27 27 GLY N N 334 107.216 107.216 111.685 -4.469 18296 4359 1 11 . 1 1 27 27 GLY C C 334 180.017 180.017 173.314 6.703 18296 4360 1 11 . 1 1 27 27 GLY CA C 334 45.559 45.559 45.088 0.471 18296 4361 1 11 . 1 1 27 27 GLY H H 334 8.348 8.348 8.334 0.014 18296 4362 1 11 . 1 1 28 28 VAL N N 335 117.437 117.437 116.973 0.464 18296 4363 1 11 . 1 1 28 28 VAL HA H 335 4.133 4.133 4.404 -0.271 18296 4364 1 11 . 1 1 28 28 VAL C C 335 177.439 177.439 175.496 1.943 18296 4365 1 11 . 1 1 28 28 VAL CA C 335 61.502 61.502 62.608 -1.107 18296 4366 1 11 . 1 1 28 28 VAL CB C 335 33.563 33.563 32.891 0.672 18296 4367 1 11 . 1 1 28 28 VAL H H 335 7.867 7.867 8.071 -0.204 18296 4368 1 11 . 1 1 29 29 GLY N N 336 110.723 110.723 110.129 0.594 18296 4369 1 11 . 1 1 29 29 GLY C C 336 180.088 180.088 173.918 6.170 18296 4370 1 11 . 1 1 29 29 GLY CA C 336 44.344 44.344 45.891 -1.547 18296 4371 1 11 . 1 1 29 29 GLY H H 336 8.186 8.186 8.576 -0.390 18296 4372 1 11 . 1 1 30 30 ALA N N 337 122.643 122.643 124.547 -1.904 18296 4373 1 11 . 1 1 30 30 ALA HA H 337 4.193 4.193 4.780 -0.587 18296 4374 1 11 . 1 1 30 30 ALA C C 337 175.274 175.274 175.738 -0.464 18296 4375 1 11 . 1 1 30 30 ALA CA C 337 52.904 52.904 51.368 1.536 18296 4376 1 11 . 1 1 30 30 ALA CB C 337 19.677 19.677 20.831 -1.154 18296 4377 1 11 . 1 1 30 30 ALA H H 337 8.269 8.269 7.904 0.365 18296 4378 1 11 . 1 1 31 31 SER N N 338 117.644 117.644 115.910 1.734 18296 4379 1 11 . 1 1 31 31 SER HA H 338 4.775 4.775 4.520 0.255 18296 4380 1 11 . 1 1 31 31 SER C C 338 180.923 180.923 173.018 7.905 18296 4381 1 11 . 1 1 31 31 SER CA C 338 57.406 57.406 57.618 -0.213 18296 4382 1 11 . 1 1 31 31 SER CB C 338 65.388 65.388 64.804 0.584 18296 4383 1 11 . 1 1 31 31 SER H H 338 8.415 8.415 8.308 0.107 18296 4384 1 11 . 1 1 32 32 ILE N N 339 121.240 121.240 123.977 -2.737 18296 4385 1 11 . 1 1 32 32 ILE HA H 339 4.123 4.123 4.185 -0.062 18296 4386 1 11 . 1 1 32 32 ILE C C 339 181.302 181.302 173.437 7.865 18296 4387 1 11 . 1 1 32 32 ILE CA C 339 59.768 59.768 58.856 0.912 18296 4388 1 11 . 1 1 32 32 ILE CB C 339 41.252 41.252 41.225 0.027 18296 4389 1 11 . 1 1 32 32 ILE H H 339 8.522 8.522 8.735 -0.213 18296 4390 1 11 . 1 1 33 33 GLN N N 340 120.384 120.384 124.921 -4.537 18296 4391 1 11 . 1 1 33 33 GLN HA H 340 4.335 4.335 4.656 -0.321 18296 4392 1 11 . 1 1 33 33 GLN C C 340 179.377 179.377 174.763 4.614 18296 4393 1 11 . 1 1 33 33 GLN CA C 340 53.739 53.739 54.266 -0.527 18296 4394 1 11 . 1 1 33 33 GLN CB C 340 32.179 32.179 31.683 0.496 18296 4395 1 11 . 1 1 33 33 GLN H H 340 7.720 7.720 8.059 -0.339 18296 4396 1 11 . 1 1 34 34 CYS N N 341 125.463 125.463 126.852 -1.389 18296 4397 1 11 . 1 1 34 34 CYS HA H 341 4.036 4.036 4.867 -0.831 18296 4398 1 11 . 1 1 34 34 CYS C C 341 178.269 178.269 176.422 1.847 18296 4399 1 11 . 1 1 34 34 CYS CA C 341 60.992 60.992 59.001 1.991 18296 4400 1 11 . 1 1 34 34 CYS CB C 341 32.346 32.346 28.137 4.209 18296 4401 1 11 . 1 1 34 34 CYS H H 341 8.292 8.292 8.661 -0.369 18296 4402 1 11 . 1 1 35 35 HIS N N 342 126.611 126.611 128.387 -1.776 18296 4403 1 11 . 1 1 35 35 HIS HA H 342 4.128 4.128 4.350 -0.222 18296 4404 1 11 . 1 1 35 35 HIS CA C 342 57.556 57.556 57.678 -0.122 18296 4405 1 11 . 1 1 35 35 HIS CB C 342 29.945 29.945 31.084 -1.139 18296 4406 1 11 . 1 1 35 35 HIS H H 342 8.722 8.722 8.700 0.022 18296 4407 1 11 . 1 1 36 36 LYS N N 343 124.049 124.049 116.927 7.122 18296 4408 1 11 . 1 1 36 36 LYS HA H 343 3.940 3.940 3.882 0.058 18296 4409 1 11 . 1 1 36 36 LYS C C 343 176.701 176.701 176.033 0.668 18296 4410 1 11 . 1 1 36 36 LYS CA C 343 56.155 56.155 56.093 0.062 18296 4411 1 11 . 1 1 36 36 LYS CB C 343 33.033 33.033 32.419 0.614 18296 4412 1 11 . 1 1 36 36 LYS H H 343 8.567 8.567 7.993 0.574 18296 4413 1 11 . 1 1 37 37 ALA N N 344 130.751 130.751 128.547 2.204 18296 4414 1 11 . 1 1 37 37 ALA HA H 344 3.733 3.733 3.154 0.579 18296 4415 1 11 . 1 1 37 37 ALA C C 344 175.302 175.302 177.685 -2.383 18296 4416 1 11 . 1 1 37 37 ALA CA C 344 53.917 53.917 53.694 0.223 18296 4417 1 11 . 1 1 37 37 ALA CB C 344 18.206 18.206 18.371 -0.165 18296 4418 1 11 . 1 1 37 37 ALA H H 344 8.363 8.363 8.462 -0.099 18296 4419 1 11 . 1 1 38 38 ASN N N 345 114.094 114.094 115.831 -1.737 18296 4420 1 11 . 1 1 38 38 ASN HA H 345 3.885 3.885 4.603 -0.718 18296 4421 1 11 . 1 1 38 38 ASN C C 345 181.195 181.195 176.332 4.863 18296 4422 1 11 . 1 1 38 38 ASN CA C 345 53.606 53.606 54.944 -1.338 18296 4423 1 11 . 1 1 38 38 ASN CB C 345 37.443 37.443 38.775 -1.331 18296 4424 1 11 . 1 1 38 38 ASN H H 345 8.292 8.292 8.448 -0.156 18296 4425 1 11 . 1 1 39 39 CYS N N 346 121.417 121.417 118.229 3.188 18296 4426 1 11 . 1 1 39 39 CYS C C 346 178.723 178.723 175.289 3.434 18296 4427 1 11 . 1 1 39 39 CYS H H 346 7.283 7.283 7.741 -0.458 18296 4428 1 11 . 1 1 40 40 TYR HA H 347 4.212 4.212 4.263 -0.051 18296 4429 1 11 . 1 1 40 40 TYR C C 347 178.156 178.156 174.689 3.467 18296 4430 1 11 . 1 1 40 40 TYR CA C 347 56.478 56.478 59.323 -2.845 18296 4431 1 11 . 1 1 40 40 TYR CB C 347 37.446 37.446 35.546 1.900 18296 4432 1 11 . 1 1 40 40 TYR H H 347 7.923 7.923 8.069 -0.146 18296 4433 1 11 . 1 1 41 41 THR N N 348 122.674 122.674 115.870 6.804 18296 4434 1 11 . 1 1 41 41 THR HA H 348 3.806 3.806 4.715 -0.909 18296 4435 1 11 . 1 1 41 41 THR C C 348 182.343 182.343 173.072 9.271 18296 4436 1 11 . 1 1 41 41 THR CA C 348 64.932 64.932 61.867 3.065 18296 4437 1 11 . 1 1 41 41 THR CB C 348 68.772 68.772 71.134 -2.362 18296 4438 1 11 . 1 1 41 41 THR H H 348 8.421 8.421 7.770 0.651 18296 4439 1 11 . 1 1 42 42 ALA N N 349 130.177 130.177 126.870 3.307 18296 4440 1 11 . 1 1 42 42 ALA HA H 349 4.967 4.967 5.133 -0.166 18296 4441 1 11 . 1 1 42 42 ALA C C 349 176.955 176.955 175.886 1.069 18296 4442 1 11 . 1 1 42 42 ALA CA C 349 49.997 49.997 50.587 -0.590 18296 4443 1 11 . 1 1 42 42 ALA CB C 349 23.467 23.467 21.666 1.800 18296 4444 1 11 . 1 1 42 42 ALA H H 349 8.856 8.856 8.822 0.034 18296 4445 1 11 . 1 1 43 43 PHE N N 350 113.053 113.053 118.213 -5.160 18296 4446 1 11 . 1 1 43 43 PHE HA H 350 5.525 5.525 4.660 0.865 18296 4447 1 11 . 1 1 43 43 PHE C C 350 177.894 177.894 173.359 4.535 18296 4448 1 11 . 1 1 43 43 PHE CA C 350 53.625 53.625 56.186 -2.561 18296 4449 1 11 . 1 1 43 43 PHE CB C 350 39.459 39.459 40.746 -1.287 18296 4450 1 11 . 1 1 43 43 PHE H H 350 7.912 7.912 8.769 -0.857 18296 4451 1 11 . 1 1 44 44 HIS N N 351 118.497 118.497 119.715 -1.218 18296 4452 1 11 . 1 1 44 44 HIS HA H 351 4.892 4.892 4.896 -0.004 18296 4453 1 11 . 1 1 44 44 HIS C C 351 176.371 176.371 176.416 -0.045 18296 4454 1 11 . 1 1 44 44 HIS CA C 351 58.019 58.019 55.700 2.319 18296 4455 1 11 . 1 1 44 44 HIS CB C 351 31.716 31.716 30.313 1.403 18296 4456 1 11 . 1 1 44 44 HIS H H 351 9.335 9.335 8.107 1.228 18296 4457 1 11 . 1 1 45 45 VAL N N 352 124.407 124.407 123.932 0.475 18296 4458 1 11 . 1 1 45 45 VAL HA H 352 3.476 3.476 3.818 -0.342 18296 4459 1 11 . 1 1 45 45 VAL C C 352 175.305 175.305 177.833 -2.528 18296 4460 1 11 . 1 1 45 45 VAL CA C 352 67.359 67.359 66.849 0.510 18296 4461 1 11 . 1 1 45 45 VAL CB C 352 31.627 31.627 31.208 0.419 18296 4462 1 11 . 1 1 45 45 VAL H H 352 8.654 8.654 8.743 -0.089 18296 4463 1 11 . 1 1 46 46 THR N N 353 111.166 111.166 115.557 -4.391 18296 4464 1 11 . 1 1 46 46 THR HA H 353 3.997 3.997 4.130 -0.133 18296 4465 1 11 . 1 1 46 46 THR C C 353 175.010 175.010 176.138 -1.128 18296 4466 1 11 . 1 1 46 46 THR CA C 353 65.008 65.008 65.536 -0.528 18296 4467 1 11 . 1 1 46 46 THR CB C 353 67.830 67.830 68.652 -0.822 18296 4468 1 11 . 1 1 46 46 THR H H 353 8.370 8.370 8.404 -0.034 18296 4469 1 11 . 1 1 47 47 CYS N N 354 120.975 120.975 117.380 3.595 18296 4470 1 11 . 1 1 47 47 CYS HA H 354 3.762 3.762 4.297 -0.535 18296 4471 1 11 . 1 1 47 47 CYS C C 354 175.912 175.912 176.648 -0.736 18296 4472 1 11 . 1 1 47 47 CYS CA C 354 63.372 63.372 59.830 3.542 18296 4473 1 11 . 1 1 47 47 CYS CB C 354 29.076 29.076 25.995 3.080 18296 4474 1 11 . 1 1 47 47 CYS H H 354 6.668 6.668 8.525 -1.857 18296 4475 1 11 . 1 1 48 48 ALA N N 355 123.247 123.247 125.411 -2.164 18296 4476 1 11 . 1 1 48 48 ALA HA H 355 3.511 3.511 4.002 -0.491 18296 4477 1 11 . 1 1 48 48 ALA C C 355 174.031 174.031 179.424 -5.393 18296 4478 1 11 . 1 1 48 48 ALA CA C 355 55.045 55.045 55.047 -0.002 18296 4479 1 11 . 1 1 48 48 ALA CB C 355 19.962 19.962 18.661 1.301 18296 4480 1 11 . 1 1 48 48 ALA H H 355 8.481 8.481 8.552 -0.071 18296 4481 1 11 . 1 1 49 49 GLN N N 356 118.150 118.150 117.704 0.446 18296 4482 1 11 . 1 1 49 49 GLN HA H 356 4.003 4.003 4.037 -0.034 18296 4483 1 11 . 1 1 49 49 GLN C C 356 173.755 173.755 178.457 -4.702 18296 4484 1 11 . 1 1 49 49 GLN CA C 356 58.728 58.728 58.903 -0.175 18296 4485 1 11 . 1 1 49 49 GLN CB C 356 28.196 28.196 28.824 -0.628 18296 4486 1 11 . 1 1 49 49 GLN H H 356 8.055 8.055 8.268 -0.213 18296 4487 1 11 . 1 1 50 50 LYS N N 357 120.248 120.248 118.250 1.998 18296 4488 1 11 . 1 1 50 50 LYS HA H 357 3.866 3.866 4.169 -0.303 18296 4489 1 11 . 1 1 50 50 LYS C C 357 175.624 175.624 178.096 -2.472 18296 4490 1 11 . 1 1 50 50 LYS CA C 357 58.989 58.989 57.690 1.300 18296 4491 1 11 . 1 1 50 50 LYS CB C 357 32.377 32.377 32.295 0.082 18296 4492 1 11 . 1 1 50 50 LYS H H 357 7.628 7.628 7.562 0.066 18296 4493 1 11 . 1 1 51 51 ALA N N 358 118.343 118.343 120.436 -2.093 18296 4494 1 11 . 1 1 51 51 ALA HA H 358 4.138 4.138 4.242 -0.104 18296 4495 1 11 . 1 1 51 51 ALA C C 358 176.132 176.132 178.321 -2.189 18296 4496 1 11 . 1 1 51 51 ALA CA C 358 52.263 52.263 53.427 -1.164 18296 4497 1 11 . 1 1 51 51 ALA CB C 358 19.690 19.690 19.732 -0.042 18296 4498 1 11 . 1 1 51 51 ALA H H 358 7.558 7.558 7.450 0.108 18296 4499 1 11 . 1 1 52 52 GLY N N 359 107.058 107.058 106.849 0.209 18296 4500 1 11 . 1 1 52 52 GLY C C 359 178.221 178.221 173.941 4.280 18296 4501 1 11 . 1 1 52 52 GLY CA C 359 46.323 46.323 44.730 1.593 18296 4502 1 11 . 1 1 52 52 GLY H H 359 7.481 7.481 8.086 -0.605 18296 4503 1 11 . 1 1 53 53 LEU N N 360 118.335 118.335 116.987 1.348 18296 4504 1 11 . 1 1 53 53 LEU HA H 360 4.002 4.002 4.840 -0.838 18296 4505 1 11 . 1 1 53 53 LEU C C 360 176.917 176.917 176.134 0.783 18296 4506 1 11 . 1 1 53 53 LEU CA C 360 54.926 54.926 52.587 2.339 18296 4507 1 11 . 1 1 53 53 LEU CB C 360 39.949 39.949 43.070 -3.121 18296 4508 1 11 . 1 1 53 53 LEU H H 360 7.502 7.502 7.372 0.130 18296 4509 1 11 . 1 1 54 54 TYR N N 361 124.191 124.191 120.342 3.849 18296 4510 1 11 . 1 1 54 54 TYR HA H 361 4.024 4.024 4.569 -0.545 18296 4511 1 11 . 1 1 54 54 TYR C C 361 178.584 178.584 174.949 3.635 18296 4512 1 11 . 1 1 54 54 TYR CA C 361 59.385 59.385 58.577 0.808 18296 4513 1 11 . 1 1 54 54 TYR CB C 361 39.068 39.068 40.196 -1.128 18296 4514 1 11 . 1 1 54 54 TYR H H 361 9.307 9.307 8.624 0.683 18296 4515 1 11 . 1 1 55 55 MET N N 362 127.473 127.473 126.603 0.870 18296 4516 1 11 . 1 1 55 55 MET HA H 362 4.953 4.953 4.535 0.418 18296 4517 1 11 . 1 1 55 55 MET C C 362 179.342 179.342 174.186 5.156 18296 4518 1 11 . 1 1 55 55 MET CA C 362 54.918 54.918 54.131 0.787 18296 4519 1 11 . 1 1 55 55 MET CB C 362 35.857 35.857 35.254 0.603 18296 4520 1 11 . 1 1 55 55 MET H H 362 7.575 7.575 7.732 -0.157 18296 4521 1 11 . 1 1 56 56 LYS N N 363 124.429 124.429 125.275 -0.846 18296 4522 1 11 . 1 1 56 56 LYS HA H 363 4.339 4.339 4.449 -0.110 18296 4523 1 11 . 1 1 56 56 LYS C C 363 178.541 178.541 175.205 3.336 18296 4524 1 11 . 1 1 56 56 LYS CA C 363 54.939 54.939 55.573 -0.634 18296 4525 1 11 . 1 1 56 56 LYS CB C 363 35.977 35.977 34.621 1.355 18296 4526 1 11 . 1 1 56 56 LYS H H 363 8.575 8.575 8.011 0.564 18296 4527 1 11 . 1 1 57 57 MET N N 364 123.350 123.350 122.757 0.593 18296 4528 1 11 . 1 1 57 57 MET HA H 364 4.801 4.801 4.568 0.233 18296 4529 1 11 . 1 1 57 57 MET C C 364 178.016 178.016 174.617 3.399 18296 4530 1 11 . 1 1 57 57 MET CA C 364 54.111 54.111 55.377 -1.266 18296 4531 1 11 . 1 1 57 57 MET H H 364 8.484 8.484 8.583 -0.099 18296 4532 1 11 . 1 1 58 58 GLU N N 365 121.319 121.319 123.467 -2.148 18296 4533 1 11 . 1 1 58 58 GLU H H 365 8.193 8.193 8.620 -0.427 18296 4534 1 11 . 1 1 59 59 PRO HA H 366 4.665 4.665 4.531 0.134 18296 4535 1 11 . 1 1 59 59 PRO C C 366 176.742 176.742 176.263 0.479 18296 4536 1 11 . 1 1 59 59 PRO CA C 366 62.524 62.524 62.381 0.143 18296 4537 1 11 . 1 1 59 59 PRO CB C 366 32.125 32.125 32.285 -0.160 18296 4538 1 11 . 1 1 60 60 VAL N N 367 122.754 122.754 117.873 4.881 18296 4539 1 11 . 1 1 60 60 VAL HA H 367 4.105 4.105 4.297 -0.192 18296 4540 1 11 . 1 1 60 60 VAL C C 367 178.435 178.435 174.295 4.140 18296 4541 1 11 . 1 1 60 60 VAL CA C 367 61.529 61.529 60.003 1.526 18296 4542 1 11 . 1 1 60 60 VAL CB C 367 34.057 34.057 35.270 -1.213 18296 4543 1 11 . 1 1 60 60 VAL H H 367 8.509 8.509 8.708 -0.199 18296 4544 1 11 . 1 1 61 61 LYS N N 368 126.381 126.381 125.082 1.299 18296 4545 1 11 . 1 1 61 61 LYS HA H 368 4.180 4.180 3.584 0.596 18296 4546 1 11 . 1 1 61 61 LYS C C 368 177.499 177.499 175.585 1.914 18296 4547 1 11 . 1 1 61 61 LYS CA C 368 56.047 56.047 55.573 0.474 18296 4548 1 11 . 1 1 61 61 LYS CB C 368 33.313 33.313 33.151 0.162 18296 4549 1 11 . 1 1 61 61 LYS H H 368 8.379 8.379 8.321 0.058 18296 4550 1 11 . 1 1 62 62 GLU N N 369 123.927 123.927 124.099 -0.172 18296 4551 1 11 . 1 1 62 62 GLU HA H 369 4.246 4.246 4.544 -0.298 18296 4552 1 11 . 1 1 62 62 GLU C C 369 177.861 177.861 176.197 1.664 18296 4553 1 11 . 1 1 62 62 GLU CA C 369 55.596 55.596 55.471 0.125 18296 4554 1 11 . 1 1 62 62 GLU CB C 369 31.289 31.289 31.664 -0.375 18296 4555 1 11 . 1 1 62 62 GLU H H 369 8.355 8.355 8.544 -0.189 18296 4556 1 11 . 1 1 63 63 LEU N N 370 124.406 124.406 117.390 7.016 18296 4557 1 11 . 1 1 63 63 LEU HA H 370 4.356 4.356 4.598 -0.242 18296 4558 1 11 . 1 1 63 63 LEU C C 370 176.026 176.026 176.384 -0.358 18296 4559 1 11 . 1 1 63 63 LEU CA C 370 55.223 55.223 55.990 -0.767 18296 4560 1 11 . 1 1 63 63 LEU CB C 370 42.061 42.061 44.645 -2.584 18296 4561 1 11 . 1 1 63 63 LEU H H 370 8.419 8.419 8.482 -0.063 18296 4562 1 11 . 1 1 64 64 THR N N 371 114.722 114.722 113.591 1.131 18296 4563 1 11 . 1 1 64 64 THR HA H 371 4.306 4.306 4.198 0.108 18296 4564 1 11 . 1 1 64 64 THR C C 371 178.158 178.158 175.208 2.950 18296 4565 1 11 . 1 1 64 64 THR CA C 371 61.196 61.196 64.135 -2.939 18296 4566 1 11 . 1 1 64 64 THR CB C 371 70.416 70.416 69.304 1.112 18296 4567 1 11 . 1 1 64 64 THR H H 371 7.966 7.966 7.704 0.262 18296 4568 1 11 . 1 1 65 65 GLY N N 372 111.711 111.711 108.994 2.717 18296 4569 1 11 . 1 1 65 65 GLY C C 372 178.512 178.512 175.186 3.326 18296 4570 1 11 . 1 1 65 65 GLY CA C 372 46.227 46.227 44.371 1.856 18296 4571 1 11 . 1 1 65 65 GLY H H 372 8.565 8.565 8.659 -0.094 18296 4572 1 11 . 1 1 66 66 GLY N N 373 108.771 108.771 110.213 -1.442 18296 4573 1 11 . 1 1 66 66 GLY C C 373 178.999 178.999 174.732 4.267 18296 4574 1 11 . 1 1 66 66 GLY CA C 373 45.287 45.287 45.225 0.062 18296 4575 1 11 . 1 1 66 66 GLY H H 373 8.227 8.227 8.141 0.086 18296 4576 1 11 . 1 1 67 67 GLY N N 374 108.901 108.901 112.398 -3.497 18296 4577 1 11 . 1 1 67 67 GLY C C 374 179.721 179.721 173.152 6.569 18296 4578 1 11 . 1 1 67 67 GLY CA C 374 44.987 44.987 45.118 -0.131 18296 4579 1 11 . 1 1 67 67 GLY H H 374 7.876 7.876 8.404 -0.528 18296 4580 1 11 . 1 1 68 68 THR N N 375 114.505 114.505 110.045 4.460 18296 4581 1 11 . 1 1 68 68 THR HA H 375 4.450 4.450 4.648 -0.198 18296 4582 1 11 . 1 1 68 68 THR C C 375 178.997 178.997 173.195 5.802 18296 4583 1 11 . 1 1 68 68 THR CA C 375 61.900 61.900 60.739 1.161 18296 4584 1 11 . 1 1 68 68 THR CB C 375 70.047 70.047 71.223 -1.176 18296 4585 1 11 . 1 1 68 68 THR H H 375 8.112 8.112 7.779 0.333 18296 4586 1 11 . 1 1 69 69 THR N N 376 118.054 118.054 114.361 3.693 18296 4587 1 11 . 1 1 69 69 THR HA H 376 4.302 4.302 4.524 -0.222 18296 4588 1 11 . 1 1 69 69 THR C C 376 180.403 180.403 172.549 7.854 18296 4589 1 11 . 1 1 69 69 THR CA C 376 61.114 61.114 62.265 -1.151 18296 4590 1 11 . 1 1 69 69 THR CB C 376 70.422 70.422 71.084 -0.662 18296 4591 1 11 . 1 1 69 69 THR H H 376 8.259 8.259 7.970 0.289 18296 4592 1 11 . 1 1 70 70 PHE N N 377 122.009 122.009 122.976 -0.967 18296 4593 1 11 . 1 1 70 70 PHE HA H 377 4.910 4.910 4.633 0.277 18296 4594 1 11 . 1 1 70 70 PHE C C 377 177.972 177.972 174.759 3.213 18296 4595 1 11 . 1 1 70 70 PHE CA C 377 57.227 57.227 57.947 -0.720 18296 4596 1 11 . 1 1 70 70 PHE CB C 377 40.873 40.873 41.272 -0.398 18296 4597 1 11 . 1 1 70 70 PHE H H 377 8.351 8.351 8.634 -0.283 18296 4598 1 11 . 1 1 71 71 SER N N 378 117.853 117.853 118.994 -1.141 18296 4599 1 11 . 1 1 71 71 SER HA H 378 4.493 4.493 4.775 -0.282 18296 4600 1 11 . 1 1 71 71 SER C C 378 180.063 180.063 172.727 7.336 18296 4601 1 11 . 1 1 71 71 SER CA C 378 57.276 57.276 57.867 -0.591 18296 4602 1 11 . 1 1 71 71 SER CB C 378 64.612 64.612 64.591 0.021 18296 4603 1 11 . 1 1 71 71 SER H H 378 8.519 8.519 8.346 0.173 18296 4604 1 11 . 1 1 72 72 VAL N N 379 120.162 120.162 125.216 -5.054 18296 4605 1 11 . 1 1 72 72 VAL HA H 379 4.441 4.441 4.217 0.224 18296 4606 1 11 . 1 1 72 72 VAL C C 379 178.192 178.192 175.573 2.619 18296 4607 1 11 . 1 1 72 72 VAL CA C 379 61.369 61.369 61.943 -0.574 18296 4608 1 11 . 1 1 72 72 VAL CB C 379 33.944 33.944 33.047 0.897 18296 4609 1 11 . 1 1 72 72 VAL H H 379 8.277 8.277 8.492 -0.215 18296 4610 1 11 . 1 1 73 73 ARG N N 380 126.538 126.538 126.993 -0.455 18296 4611 1 11 . 1 1 73 73 ARG HA H 380 4.430 4.430 4.736 -0.306 18296 4612 1 11 . 1 1 73 73 ARG C C 380 177.524 177.524 175.035 2.489 18296 4613 1 11 . 1 1 73 73 ARG CA C 380 54.744 54.744 54.621 0.123 18296 4614 1 11 . 1 1 73 73 ARG CB C 380 32.635 32.635 31.212 1.423 18296 4615 1 11 . 1 1 73 73 ARG H H 380 8.727 8.727 8.197 0.530 18296 4616 1 11 . 1 1 74 74 LYS N N 381 126.485 126.485 126.654 -0.169 18296 4617 1 11 . 1 1 74 74 LYS HA H 381 4.613 4.613 4.695 -0.082 18296 4618 1 11 . 1 1 74 74 LYS C C 381 178.050 178.050 175.893 2.157 18296 4619 1 11 . 1 1 74 74 LYS CA C 381 56.325 56.325 55.515 0.810 18296 4620 1 11 . 1 1 74 74 LYS CB C 381 33.149 33.149 34.105 -0.956 18296 4621 1 11 . 1 1 74 74 LYS H H 381 8.636 8.636 8.674 -0.038 18296 4622 1 11 . 1 1 75 75 THR N N 382 120.767 120.767 121.847 -1.080 18296 4623 1 11 . 1 1 75 75 THR HA H 382 3.791 3.791 4.184 -0.393 18296 4624 1 11 . 1 1 75 75 THR C C 382 181.578 181.578 172.739 8.839 18296 4625 1 11 . 1 1 75 75 THR CA C 382 61.703 61.703 61.801 -0.098 18296 4626 1 11 . 1 1 75 75 THR CB C 382 70.771 70.771 69.052 1.719 18296 4627 1 11 . 1 1 75 75 THR H H 382 8.544 8.544 8.213 0.331 18296 4628 1 11 . 1 1 76 76 ALA N N 383 126.390 126.390 128.999 -2.609 18296 4629 1 11 . 1 1 76 76 ALA HA H 383 5.358 5.358 4.626 0.732 18296 4630 1 11 . 1 1 76 76 ALA C C 383 178.931 178.931 176.107 2.824 18296 4631 1 11 . 1 1 76 76 ALA CA C 383 50.669 50.669 51.132 -0.463 18296 4632 1 11 . 1 1 76 76 ALA CB C 383 24.682 24.682 19.939 4.743 18296 4633 1 11 . 1 1 76 76 ALA H H 383 7.981 7.981 8.137 -0.156 18296 4634 1 11 . 1 1 77 77 TYR N N 384 116.182 116.182 123.724 -7.542 18296 4635 1 11 . 1 1 77 77 TYR HA H 384 5.920 5.920 4.686 1.234 18296 4636 1 11 . 1 1 77 77 TYR C C 384 177.384 177.384 176.889 0.495 18296 4637 1 11 . 1 1 77 77 TYR CA C 384 56.234 56.234 56.878 -0.644 18296 4638 1 11 . 1 1 77 77 TYR CB C 384 43.201 43.201 39.502 3.699 18296 4639 1 11 . 1 1 77 77 TYR H H 384 7.899 7.899 7.851 0.048 18296 4640 1 11 . 1 1 78 78 CYS N N 385 121.146 121.146 118.198 2.948 18296 4641 1 11 . 1 1 78 78 CYS HA H 385 4.312 4.312 3.874 0.438 18296 4642 1 11 . 1 1 78 78 CYS C C 385 178.543 178.543 176.312 2.231 18296 4643 1 11 . 1 1 78 78 CYS CA C 385 58.293 58.293 57.898 0.395 18296 4644 1 11 . 1 1 78 78 CYS CB C 385 29.815 29.815 29.002 0.814 18296 4645 1 11 . 1 1 78 78 CYS H H 385 9.855 9.855 8.452 1.403 18296 4646 1 11 . 1 1 79 79 ASP N N 386 115.334 115.334 121.076 -5.742 18296 4647 1 11 . 1 1 79 79 ASP HA H 386 3.946 3.946 4.508 -0.562 18296 4648 1 11 . 1 1 79 79 ASP C C 386 175.510 175.510 177.709 -2.199 18296 4649 1 11 . 1 1 79 79 ASP CA C 386 57.118 57.118 56.465 0.653 18296 4650 1 11 . 1 1 79 79 ASP CB C 386 40.495 40.495 41.356 -0.861 18296 4651 1 11 . 1 1 79 79 ASP H H 386 7.657 7.657 8.099 -0.442 18296 4652 1 11 . 1 1 80 80 VAL N N 387 119.872 119.872 112.519 7.353 18296 4653 1 11 . 1 1 80 80 VAL HA H 387 3.579 3.579 4.029 -0.450 18296 4654 1 11 . 1 1 80 80 VAL C C 387 176.437 176.437 175.998 0.439 18296 4655 1 11 . 1 1 80 80 VAL CA C 387 64.272 64.272 63.334 0.938 18296 4656 1 11 . 1 1 80 80 VAL CB C 387 31.798 31.798 31.126 0.672 18296 4657 1 11 . 1 1 80 80 VAL H H 387 7.601 7.601 7.448 0.153 18296 4658 1 11 . 1 1 81 81 HIS N N 388 119.244 119.244 118.898 0.346 18296 4659 1 11 . 1 1 81 81 HIS HA H 388 4.632 4.632 4.524 0.108 18296 4660 1 11 . 1 1 81 81 HIS C C 388 180.644 180.644 176.320 4.324 18296 4661 1 11 . 1 1 81 81 HIS CA C 388 56.212 56.212 58.245 -2.033 18296 4662 1 11 . 1 1 81 81 HIS CB C 388 31.774 31.774 31.529 0.246 18296 4663 1 11 . 1 1 81 81 HIS H H 388 7.385 7.385 7.832 -0.447 18296 4664 1 11 . 1 1 82 82 THR N N 389 117.899 117.899 114.398 3.501 18296 4665 1 11 . 1 1 82 82 THR HA H 389 3.733 3.733 4.396 -0.663 18296 4666 1 11 . 1 1 82 82 THR C C 389 181.155 181.155 174.281 6.874 18296 4667 1 11 . 1 1 82 82 THR CA C 389 61.844 61.844 65.995 -4.151 18296 4668 1 11 . 1 1 82 82 THR CB C 389 70.285 70.285 67.506 2.779 18296 4669 1 11 . 1 1 82 82 THR H H 389 7.133 7.133 7.795 -0.662 18296 4670 1 11 . 1 1 83 83 PRO HA H 390 4.192 4.192 4.347 -0.155 18296 4671 1 11 . 1 1 83 83 PRO CA C 390 61.509 61.509 63.796 -2.287 18296 4672 1 11 . 1 1 83 83 PRO CB C 390 30.773 30.773 30.366 0.407 18296 4673 1 11 . 1 1 84 84 PRO HA H 391 4.220 4.220 4.295 -0.075 18296 4674 1 11 . 1 1 84 84 PRO C C 391 175.949 175.949 176.443 -0.494 18296 4675 1 11 . 1 1 84 84 PRO CA C 391 63.032 63.032 63.122 -0.090 18296 4676 1 11 . 1 1 84 84 PRO CB C 391 31.983 31.983 32.186 -0.203 18296 4677 1 11 . 1 1 85 85 GLY N N 392 109.626 109.626 107.412 2.214 18296 4678 1 11 . 1 1 85 85 GLY C C 392 179.223 179.223 173.875 5.348 18296 4679 1 11 . 1 1 85 85 GLY CA C 392 45.359 45.359 44.402 0.957 18296 4680 1 11 . 1 1 85 85 GLY H H 392 8.367 8.367 7.908 0.459 18296 4681 1 11 . 1 1 86 86 SER N N 393 115.675 115.675 118.056 -2.381 18296 4682 1 11 . 1 1 86 86 SER HA H 393 4.354 4.354 4.832 -0.478 18296 4683 1 11 . 1 1 86 86 SER C C 393 179.569 179.569 174.126 5.443 18296 4684 1 11 . 1 1 86 86 SER CA C 393 58.521 58.521 58.242 0.279 18296 4685 1 11 . 1 1 86 86 SER CB C 393 63.913 63.913 62.488 1.425 18296 4686 1 11 . 1 1 86 86 SER H H 393 8.022 8.022 8.416 -0.394 18296 4687 1 12 . 1 1 10 10 ASN N N 317 120.101 120.101 120.283 -0.182 18296 4688 1 12 . 1 1 10 10 ASN HA H 317 4.501 4.501 4.839 -0.338 18296 4689 1 12 . 1 1 10 10 ASN C C 317 179.015 179.015 175.177 3.838 18296 4690 1 12 . 1 1 10 10 ASN CA C 317 53.191 53.191 53.331 -0.140 18296 4691 1 12 . 1 1 10 10 ASN CB C 317 38.650 38.650 39.517 -0.867 18296 4692 1 12 . 1 1 10 10 ASN H H 317 8.415 8.415 8.705 -0.290 18296 4693 1 12 . 1 1 11 11 ILE N N 318 122.869 122.869 119.425 3.444 18296 4694 1 12 . 1 1 11 11 ILE HA H 318 4.250 4.250 4.659 -0.409 18296 4695 1 12 . 1 1 11 11 ILE C C 318 179.506 179.506 173.588 5.918 18296 4696 1 12 . 1 1 11 11 ILE CA C 318 58.332 58.332 58.815 -0.483 18296 4697 1 12 . 1 1 11 11 ILE CB C 318 38.713 38.713 38.950 -0.237 18296 4698 1 12 . 1 1 11 11 ILE H H 318 7.924 7.924 7.865 0.059 18296 4699 1 12 . 1 1 12 12 PRO HA H 319 4.359 4.359 4.712 -0.353 18296 4700 1 12 . 1 1 12 12 PRO CA C 319 61.487 61.487 61.925 -0.438 18296 4701 1 12 . 1 1 12 12 PRO CB C 319 30.960 30.960 31.240 -0.280 18296 4702 1 12 . 1 1 13 13 PRO HA H 320 3.968 3.968 4.370 -0.402 18296 4703 1 12 . 1 1 13 13 PRO C C 320 176.730 176.730 175.875 0.855 18296 4704 1 12 . 1 1 13 13 PRO CA C 320 62.874 62.874 62.309 0.565 18296 4705 1 12 . 1 1 13 13 PRO CB C 320 31.948 31.948 32.790 -0.842 18296 4706 1 12 . 1 1 14 14 ALA N N 321 123.469 123.469 121.776 1.693 18296 4707 1 12 . 1 1 14 14 ALA HA H 321 3.952 3.952 3.950 0.002 18296 4708 1 12 . 1 1 14 14 ALA C C 321 175.208 175.208 176.523 -1.315 18296 4709 1 12 . 1 1 14 14 ALA CA C 321 52.876 52.876 51.491 1.385 18296 4710 1 12 . 1 1 14 14 ALA CB C 321 18.896 18.896 18.459 0.437 18296 4711 1 12 . 1 1 14 14 ALA H H 321 8.108 8.108 7.810 0.298 18296 4712 1 12 . 1 1 15 15 ARG N N 322 118.725 118.725 118.502 0.223 18296 4713 1 12 . 1 1 15 15 ARG HA H 322 3.943 3.943 4.171 -0.228 18296 4714 1 12 . 1 1 15 15 ARG C C 322 176.870 176.870 175.022 1.848 18296 4715 1 12 . 1 1 15 15 ARG CA C 322 56.737 56.737 56.674 0.063 18296 4716 1 12 . 1 1 15 15 ARG CB C 322 30.230 30.230 29.306 0.924 18296 4717 1 12 . 1 1 15 15 ARG H H 322 8.077 8.077 8.160 -0.083 18296 4718 1 12 . 1 1 16 16 TRP N N 323 120.113 120.113 118.551 1.562 18296 4719 1 12 . 1 1 16 16 TRP HA H 323 4.471 4.471 4.847 -0.376 18296 4720 1 12 . 1 1 16 16 TRP C C 323 177.322 177.322 175.002 2.320 18296 4721 1 12 . 1 1 16 16 TRP CA C 323 57.143 57.143 53.416 3.727 18296 4722 1 12 . 1 1 16 16 TRP CB C 323 29.192 29.192 28.358 0.834 18296 4723 1 12 . 1 1 16 16 TRP H H 323 7.634 7.634 7.901 -0.267 18296 4724 1 12 . 1 1 17 17 LYS N N 324 121.400 121.400 121.146 0.254 18296 4725 1 12 . 1 1 17 17 LYS HA H 324 3.951 3.951 4.355 -0.404 18296 4726 1 12 . 1 1 17 17 LYS C C 324 179.457 179.457 177.176 2.281 18296 4727 1 12 . 1 1 17 17 LYS CA C 324 56.502 56.502 55.753 0.749 18296 4728 1 12 . 1 1 17 17 LYS CB C 324 32.867 32.867 33.875 -1.008 18296 4729 1 12 . 1 1 17 17 LYS H H 324 7.735 7.735 7.985 -0.250 18296 4730 1 12 . 1 1 18 18 LEU N N 325 121.064 121.064 123.104 -2.040 18296 4731 1 12 . 1 1 18 18 LEU HA H 325 4.141 4.141 4.374 -0.233 18296 4732 1 12 . 1 1 18 18 LEU C C 325 176.781 176.781 175.181 1.600 18296 4733 1 12 . 1 1 18 18 LEU CA C 325 54.574 54.574 54.834 -0.260 18296 4734 1 12 . 1 1 18 18 LEU CB C 325 42.252 42.252 40.794 1.458 18296 4735 1 12 . 1 1 18 18 LEU H H 325 7.708 7.708 8.655 -0.947 18296 4736 1 12 . 1 1 19 19 THR N N 326 117.252 117.252 116.575 0.677 18296 4737 1 12 . 1 1 19 19 THR HA H 326 3.935 3.935 4.542 -0.607 18296 4738 1 12 . 1 1 19 19 THR C C 326 180.854 180.854 172.545 8.309 18296 4739 1 12 . 1 1 19 19 THR CA C 326 61.977 61.977 61.046 0.931 18296 4740 1 12 . 1 1 19 19 THR CB C 326 70.166 70.166 71.492 -1.325 18296 4741 1 12 . 1 1 19 19 THR H H 326 7.915 7.915 7.782 0.133 18296 4742 1 12 . 1 1 20 20 CYS N N 327 127.254 127.254 123.270 3.984 18296 4743 1 12 . 1 1 20 20 CYS HA H 327 4.324 4.324 5.224 -0.900 18296 4744 1 12 . 1 1 20 20 CYS C C 327 175.898 175.898 176.858 -0.960 18296 4745 1 12 . 1 1 20 20 CYS CA C 327 57.928 57.928 57.042 0.886 18296 4746 1 12 . 1 1 20 20 CYS CB C 327 31.298 31.298 28.019 3.279 18296 4747 1 12 . 1 1 20 20 CYS H H 327 8.055 8.055 8.608 -0.553 18296 4748 1 12 . 1 1 21 21 TYR N N 328 129.752 129.752 126.675 3.077 18296 4749 1 12 . 1 1 21 21 TYR HA H 328 4.488 4.488 4.541 -0.053 18296 4750 1 12 . 1 1 21 21 TYR C C 328 178.625 178.625 176.230 2.395 18296 4751 1 12 . 1 1 21 21 TYR CA C 328 58.951 58.951 59.658 -0.707 18296 4752 1 12 . 1 1 21 21 TYR CB C 328 37.712 37.712 38.012 -0.300 18296 4753 1 12 . 1 1 21 21 TYR H H 328 9.082 9.082 8.869 0.213 18296 4754 1 12 . 1 1 22 22 LEU N N 329 124.057 124.057 119.522 4.535 18296 4755 1 12 . 1 1 22 22 LEU HA H 329 3.749 3.749 4.386 -0.637 18296 4756 1 12 . 1 1 22 22 LEU C C 329 176.268 176.268 176.720 -0.452 18296 4757 1 12 . 1 1 22 22 LEU CA C 329 56.514 56.514 54.511 2.003 18296 4758 1 12 . 1 1 22 22 LEU CB C 329 42.975 42.975 41.974 1.001 18296 4759 1 12 . 1 1 22 22 LEU H H 329 8.140 8.140 7.569 0.571 18296 4760 1 12 . 1 1 23 23 CYS N N 330 117.734 117.734 116.921 0.813 18296 4761 1 12 . 1 1 23 23 CYS HA H 330 4.741 4.741 4.834 -0.093 18296 4762 1 12 . 1 1 23 23 CYS C C 330 177.769 177.769 172.977 4.792 18296 4763 1 12 . 1 1 23 23 CYS CA C 330 58.459 58.459 57.524 0.935 18296 4764 1 12 . 1 1 23 23 CYS CB C 330 30.918 30.918 31.459 -0.541 18296 4765 1 12 . 1 1 23 23 CYS H H 330 7.971 7.971 7.248 0.723 18296 4766 1 12 . 1 1 24 24 LYS N N 331 118.437 118.437 120.429 -1.992 18296 4767 1 12 . 1 1 24 24 LYS HA H 331 3.980 3.980 4.461 -0.481 18296 4768 1 12 . 1 1 24 24 LYS C C 331 178.178 178.178 175.296 2.882 18296 4769 1 12 . 1 1 24 24 LYS CA C 331 57.520 57.520 56.540 0.980 18296 4770 1 12 . 1 1 24 24 LYS CB C 331 29.278 29.278 32.622 -3.344 18296 4771 1 12 . 1 1 24 24 LYS H H 331 7.842 7.842 8.387 -0.545 18296 4772 1 12 . 1 1 25 25 GLN N N 332 118.445 118.445 120.086 -1.641 18296 4773 1 12 . 1 1 25 25 GLN HA H 332 4.574 4.574 4.511 0.063 18296 4774 1 12 . 1 1 25 25 GLN C C 332 177.619 177.619 174.920 2.699 18296 4775 1 12 . 1 1 25 25 GLN CA C 332 54.362 54.362 54.943 -0.581 18296 4776 1 12 . 1 1 25 25 GLN CB C 332 31.843 31.843 30.081 1.762 18296 4777 1 12 . 1 1 25 25 GLN H H 332 8.306 8.306 8.028 0.278 18296 4778 1 12 . 1 1 26 26 LYS N N 333 122.851 122.851 123.815 -0.964 18296 4779 1 12 . 1 1 26 26 LYS HA H 333 4.222 4.222 4.182 0.040 18296 4780 1 12 . 1 1 26 26 LYS C C 333 175.456 175.456 176.802 -1.346 18296 4781 1 12 . 1 1 26 26 LYS CA C 333 57.729 57.729 56.507 1.222 18296 4782 1 12 . 1 1 26 26 LYS CB C 333 32.925 32.925 31.256 1.669 18296 4783 1 12 . 1 1 26 26 LYS H H 333 8.545 8.545 8.465 0.080 18296 4784 1 12 . 1 1 27 27 GLY N N 334 107.216 107.216 112.311 -5.095 18296 4785 1 12 . 1 1 27 27 GLY C C 334 180.017 180.017 173.160 6.857 18296 4786 1 12 . 1 1 27 27 GLY CA C 334 45.559 45.559 45.101 0.458 18296 4787 1 12 . 1 1 27 27 GLY H H 334 8.348 8.348 8.256 0.092 18296 4788 1 12 . 1 1 28 28 VAL N N 335 117.437 117.437 122.781 -5.344 18296 4789 1 12 . 1 1 28 28 VAL HA H 335 4.133 4.133 4.216 -0.083 18296 4790 1 12 . 1 1 28 28 VAL C C 335 177.439 177.439 175.524 1.915 18296 4791 1 12 . 1 1 28 28 VAL CA C 335 61.502 61.502 63.494 -1.992 18296 4792 1 12 . 1 1 28 28 VAL CB C 335 33.563 33.563 32.824 0.739 18296 4793 1 12 . 1 1 28 28 VAL H H 335 7.867 7.867 8.261 -0.394 18296 4794 1 12 . 1 1 29 29 GLY N N 336 110.723 110.723 109.956 0.767 18296 4795 1 12 . 1 1 29 29 GLY C C 336 180.088 180.088 173.538 6.550 18296 4796 1 12 . 1 1 29 29 GLY CA C 336 44.344 44.344 46.240 -1.896 18296 4797 1 12 . 1 1 29 29 GLY H H 336 8.186 8.186 8.529 -0.343 18296 4798 1 12 . 1 1 30 30 ALA N N 337 122.643 122.643 125.965 -3.322 18296 4799 1 12 . 1 1 30 30 ALA HA H 337 4.193 4.193 4.744 -0.551 18296 4800 1 12 . 1 1 30 30 ALA C C 337 175.274 175.274 176.437 -1.163 18296 4801 1 12 . 1 1 30 30 ALA CA C 337 52.904 52.904 50.977 1.927 18296 4802 1 12 . 1 1 30 30 ALA CB C 337 19.677 19.677 19.856 -0.179 18296 4803 1 12 . 1 1 30 30 ALA H H 337 8.269 8.269 8.032 0.237 18296 4804 1 12 . 1 1 31 31 SER N N 338 117.644 117.644 119.449 -1.805 18296 4805 1 12 . 1 1 31 31 SER HA H 338 4.775 4.775 4.772 0.003 18296 4806 1 12 . 1 1 31 31 SER C C 338 180.923 180.923 173.102 7.821 18296 4807 1 12 . 1 1 31 31 SER CA C 338 57.406 57.406 57.484 -0.078 18296 4808 1 12 . 1 1 31 31 SER CB C 338 65.388 65.388 64.517 0.871 18296 4809 1 12 . 1 1 31 31 SER H H 338 8.415 8.415 8.565 -0.150 18296 4810 1 12 . 1 1 32 32 ILE N N 339 121.240 121.240 124.156 -2.916 18296 4811 1 12 . 1 1 32 32 ILE HA H 339 4.123 4.123 4.327 -0.204 18296 4812 1 12 . 1 1 32 32 ILE C C 339 181.302 181.302 173.306 7.996 18296 4813 1 12 . 1 1 32 32 ILE CA C 339 59.768 59.768 59.215 0.553 18296 4814 1 12 . 1 1 32 32 ILE CB C 339 41.252 41.252 41.425 -0.173 18296 4815 1 12 . 1 1 32 32 ILE H H 339 8.522 8.522 8.894 -0.372 18296 4816 1 12 . 1 1 33 33 GLN N N 340 120.384 120.384 125.098 -4.714 18296 4817 1 12 . 1 1 33 33 GLN HA H 340 4.335 4.335 4.927 -0.592 18296 4818 1 12 . 1 1 33 33 GLN C C 340 179.377 179.377 174.752 4.625 18296 4819 1 12 . 1 1 33 33 GLN CA C 340 53.739 53.739 54.320 -0.581 18296 4820 1 12 . 1 1 33 33 GLN CB C 340 32.179 32.179 32.201 -0.022 18296 4821 1 12 . 1 1 33 33 GLN H H 340 7.720 7.720 8.158 -0.438 18296 4822 1 12 . 1 1 34 34 CYS N N 341 125.463 125.463 126.289 -0.826 18296 4823 1 12 . 1 1 34 34 CYS HA H 341 4.036 4.036 4.809 -0.773 18296 4824 1 12 . 1 1 34 34 CYS C C 341 178.269 178.269 176.002 2.267 18296 4825 1 12 . 1 1 34 34 CYS CA C 341 60.992 60.992 58.792 2.200 18296 4826 1 12 . 1 1 34 34 CYS CB C 341 32.346 32.346 27.991 4.355 18296 4827 1 12 . 1 1 34 34 CYS H H 341 8.292 8.292 8.882 -0.590 18296 4828 1 12 . 1 1 35 35 HIS N N 342 126.611 126.611 128.541 -1.930 18296 4829 1 12 . 1 1 35 35 HIS HA H 342 4.128 4.128 4.311 -0.183 18296 4830 1 12 . 1 1 35 35 HIS CA C 342 57.556 57.556 57.723 -0.167 18296 4831 1 12 . 1 1 35 35 HIS CB C 342 29.945 29.945 30.804 -0.859 18296 4832 1 12 . 1 1 35 35 HIS H H 342 8.722 8.722 8.828 -0.106 18296 4833 1 12 . 1 1 36 36 LYS N N 343 124.049 124.049 116.207 7.842 18296 4834 1 12 . 1 1 36 36 LYS HA H 343 3.940 3.940 3.911 0.029 18296 4835 1 12 . 1 1 36 36 LYS C C 343 176.701 176.701 176.243 0.458 18296 4836 1 12 . 1 1 36 36 LYS CA C 343 56.155 56.155 56.630 -0.475 18296 4837 1 12 . 1 1 36 36 LYS CB C 343 33.033 33.033 31.701 1.332 18296 4838 1 12 . 1 1 36 36 LYS H H 343 8.567 8.567 8.153 0.414 18296 4839 1 12 . 1 1 37 37 ALA N N 344 130.751 130.751 127.982 2.769 18296 4840 1 12 . 1 1 37 37 ALA HA H 344 3.733 3.733 3.417 0.316 18296 4841 1 12 . 1 1 37 37 ALA C C 344 175.302 175.302 177.884 -2.582 18296 4842 1 12 . 1 1 37 37 ALA CA C 344 53.917 53.917 54.068 -0.151 18296 4843 1 12 . 1 1 37 37 ALA CB C 344 18.206 18.206 18.471 -0.265 18296 4844 1 12 . 1 1 37 37 ALA H H 344 8.363 8.363 8.503 -0.140 18296 4845 1 12 . 1 1 38 38 ASN N N 345 114.094 114.094 116.461 -2.367 18296 4846 1 12 . 1 1 38 38 ASN HA H 345 3.885 3.885 4.597 -0.712 18296 4847 1 12 . 1 1 38 38 ASN C C 345 181.195 181.195 176.494 4.701 18296 4848 1 12 . 1 1 38 38 ASN CA C 345 53.606 53.606 55.128 -1.522 18296 4849 1 12 . 1 1 38 38 ASN CB C 345 37.443 37.443 38.379 -0.936 18296 4850 1 12 . 1 1 38 38 ASN H H 345 8.292 8.292 8.481 -0.189 18296 4851 1 12 . 1 1 39 39 CYS N N 346 121.417 121.417 118.433 2.984 18296 4852 1 12 . 1 1 39 39 CYS C C 346 178.723 178.723 175.223 3.500 18296 4853 1 12 . 1 1 39 39 CYS H H 346 7.283 7.283 7.808 -0.525 18296 4854 1 12 . 1 1 40 40 TYR HA H 347 4.212 4.212 4.212 -0.000 18296 4855 1 12 . 1 1 40 40 TYR C C 347 178.156 178.156 174.367 3.789 18296 4856 1 12 . 1 1 40 40 TYR CA C 347 56.478 56.478 59.041 -2.563 18296 4857 1 12 . 1 1 40 40 TYR CB C 347 37.446 37.446 35.957 1.489 18296 4858 1 12 . 1 1 40 40 TYR H H 347 7.923 7.923 8.138 -0.215 18296 4859 1 12 . 1 1 41 41 THR N N 348 122.674 122.674 117.246 5.428 18296 4860 1 12 . 1 1 41 41 THR HA H 348 3.806 3.806 4.732 -0.926 18296 4861 1 12 . 1 1 41 41 THR C C 348 182.343 182.343 173.443 8.900 18296 4862 1 12 . 1 1 41 41 THR CA C 348 64.932 64.932 61.483 3.449 18296 4863 1 12 . 1 1 41 41 THR CB C 348 68.772 68.772 70.775 -2.003 18296 4864 1 12 . 1 1 41 41 THR H H 348 8.421 8.421 7.781 0.640 18296 4865 1 12 . 1 1 42 42 ALA N N 349 130.177 130.177 127.966 2.211 18296 4866 1 12 . 1 1 42 42 ALA HA H 349 4.967 4.967 5.289 -0.322 18296 4867 1 12 . 1 1 42 42 ALA C C 349 176.955 176.955 176.021 0.934 18296 4868 1 12 . 1 1 42 42 ALA CA C 349 49.997 49.997 50.857 -0.860 18296 4869 1 12 . 1 1 42 42 ALA CB C 349 23.467 23.467 21.555 1.912 18296 4870 1 12 . 1 1 42 42 ALA H H 349 8.856 8.856 8.767 0.089 18296 4871 1 12 . 1 1 43 43 PHE N N 350 113.053 113.053 119.044 -5.991 18296 4872 1 12 . 1 1 43 43 PHE HA H 350 5.525 5.525 4.831 0.694 18296 4873 1 12 . 1 1 43 43 PHE C C 350 177.894 177.894 173.239 4.655 18296 4874 1 12 . 1 1 43 43 PHE CA C 350 53.625 53.625 56.425 -2.800 18296 4875 1 12 . 1 1 43 43 PHE CB C 350 39.459 39.459 40.830 -1.371 18296 4876 1 12 . 1 1 43 43 PHE H H 350 7.912 7.912 9.009 -1.097 18296 4877 1 12 . 1 1 44 44 HIS N N 351 118.497 118.497 118.795 -0.298 18296 4878 1 12 . 1 1 44 44 HIS HA H 351 4.892 4.892 5.019 -0.127 18296 4879 1 12 . 1 1 44 44 HIS C C 351 176.371 176.371 176.816 -0.445 18296 4880 1 12 . 1 1 44 44 HIS CA C 351 58.019 58.019 55.648 2.371 18296 4881 1 12 . 1 1 44 44 HIS CB C 351 31.716 31.716 30.582 1.134 18296 4882 1 12 . 1 1 44 44 HIS H H 351 9.335 9.335 8.546 0.789 18296 4883 1 12 . 1 1 45 45 VAL N N 352 124.407 124.407 122.284 2.123 18296 4884 1 12 . 1 1 45 45 VAL HA H 352 3.476 3.476 3.627 -0.151 18296 4885 1 12 . 1 1 45 45 VAL C C 352 175.305 175.305 177.562 -2.257 18296 4886 1 12 . 1 1 45 45 VAL CA C 352 67.359 67.359 66.816 0.543 18296 4887 1 12 . 1 1 45 45 VAL CB C 352 31.627 31.627 31.850 -0.223 18296 4888 1 12 . 1 1 45 45 VAL H H 352 8.654 8.654 8.048 0.606 18296 4889 1 12 . 1 1 46 46 THR N N 353 111.166 111.166 114.544 -3.378 18296 4890 1 12 . 1 1 46 46 THR HA H 353 3.997 3.997 4.022 -0.025 18296 4891 1 12 . 1 1 46 46 THR C C 353 175.010 175.010 175.961 -0.951 18296 4892 1 12 . 1 1 46 46 THR CA C 353 65.008 65.008 66.127 -1.119 18296 4893 1 12 . 1 1 46 46 THR CB C 353 67.830 67.830 68.535 -0.705 18296 4894 1 12 . 1 1 46 46 THR H H 353 8.370 8.370 8.325 0.045 18296 4895 1 12 . 1 1 47 47 CYS N N 354 120.975 120.975 119.479 1.496 18296 4896 1 12 . 1 1 47 47 CYS HA H 354 3.762 3.762 4.101 -0.339 18296 4897 1 12 . 1 1 47 47 CYS C C 354 175.912 175.912 177.054 -1.142 18296 4898 1 12 . 1 1 47 47 CYS CA C 354 63.372 63.372 63.064 0.308 18296 4899 1 12 . 1 1 47 47 CYS CB C 354 29.076 29.076 25.733 3.343 18296 4900 1 12 . 1 1 47 47 CYS H H 354 6.668 6.668 8.581 -1.913 18296 4901 1 12 . 1 1 48 48 ALA N N 355 123.247 123.247 122.892 0.355 18296 4902 1 12 . 1 1 48 48 ALA HA H 355 3.511 3.511 4.056 -0.545 18296 4903 1 12 . 1 1 48 48 ALA C C 355 174.031 174.031 179.539 -5.508 18296 4904 1 12 . 1 1 48 48 ALA CA C 355 55.045 55.045 55.238 -0.193 18296 4905 1 12 . 1 1 48 48 ALA CB C 355 19.962 19.962 18.746 1.216 18296 4906 1 12 . 1 1 48 48 ALA H H 355 8.481 8.481 8.045 0.436 18296 4907 1 12 . 1 1 49 49 GLN N N 356 118.150 118.150 117.245 0.905 18296 4908 1 12 . 1 1 49 49 GLN HA H 356 4.003 4.003 3.970 0.033 18296 4909 1 12 . 1 1 49 49 GLN C C 356 173.755 173.755 178.860 -5.105 18296 4910 1 12 . 1 1 49 49 GLN CA C 356 58.728 58.728 58.821 -0.093 18296 4911 1 12 . 1 1 49 49 GLN CB C 356 28.196 28.196 28.575 -0.379 18296 4912 1 12 . 1 1 49 49 GLN H H 356 8.055 8.055 7.870 0.185 18296 4913 1 12 . 1 1 50 50 LYS N N 357 120.248 120.248 118.986 1.262 18296 4914 1 12 . 1 1 50 50 LYS HA H 357 3.866 3.866 4.159 -0.293 18296 4915 1 12 . 1 1 50 50 LYS C C 357 175.624 175.624 178.543 -2.919 18296 4916 1 12 . 1 1 50 50 LYS CA C 357 58.989 58.989 58.106 0.883 18296 4917 1 12 . 1 1 50 50 LYS CB C 357 32.377 32.377 32.618 -0.241 18296 4918 1 12 . 1 1 50 50 LYS H H 357 7.628 7.628 7.799 -0.171 18296 4919 1 12 . 1 1 51 51 ALA N N 358 118.343 118.343 119.773 -1.430 18296 4920 1 12 . 1 1 51 51 ALA HA H 358 4.138 4.138 4.228 -0.090 18296 4921 1 12 . 1 1 51 51 ALA C C 358 176.132 176.132 178.280 -2.148 18296 4922 1 12 . 1 1 51 51 ALA CA C 358 52.263 52.263 53.260 -0.997 18296 4923 1 12 . 1 1 51 51 ALA CB C 358 19.690 19.690 19.577 0.113 18296 4924 1 12 . 1 1 51 51 ALA H H 358 7.558 7.558 7.694 -0.136 18296 4925 1 12 . 1 1 52 52 GLY N N 359 107.058 107.058 107.034 0.024 18296 4926 1 12 . 1 1 52 52 GLY C C 359 178.221 178.221 173.756 4.465 18296 4927 1 12 . 1 1 52 52 GLY CA C 359 46.323 46.323 44.968 1.355 18296 4928 1 12 . 1 1 52 52 GLY H H 359 7.481 7.481 8.122 -0.641 18296 4929 1 12 . 1 1 53 53 LEU N N 360 118.335 118.335 116.211 2.124 18296 4930 1 12 . 1 1 53 53 LEU HA H 360 4.002 4.002 4.967 -0.965 18296 4931 1 12 . 1 1 53 53 LEU C C 360 176.917 176.917 176.054 0.863 18296 4932 1 12 . 1 1 53 53 LEU CA C 360 54.926 54.926 52.370 2.556 18296 4933 1 12 . 1 1 53 53 LEU CB C 360 39.949 39.949 43.092 -3.143 18296 4934 1 12 . 1 1 53 53 LEU H H 360 7.502 7.502 7.307 0.195 18296 4935 1 12 . 1 1 54 54 TYR N N 361 124.191 124.191 120.321 3.870 18296 4936 1 12 . 1 1 54 54 TYR HA H 361 4.024 4.024 4.529 -0.505 18296 4937 1 12 . 1 1 54 54 TYR C C 361 178.584 178.584 174.964 3.620 18296 4938 1 12 . 1 1 54 54 TYR CA C 361 59.385 59.385 58.859 0.526 18296 4939 1 12 . 1 1 54 54 TYR CB C 361 39.068 39.068 39.593 -0.525 18296 4940 1 12 . 1 1 54 54 TYR H H 361 9.307 9.307 8.590 0.717 18296 4941 1 12 . 1 1 55 55 MET N N 362 127.473 127.473 126.328 1.145 18296 4942 1 12 . 1 1 55 55 MET HA H 362 4.953 4.953 4.556 0.397 18296 4943 1 12 . 1 1 55 55 MET C C 362 179.342 179.342 174.371 4.971 18296 4944 1 12 . 1 1 55 55 MET CA C 362 54.918 54.918 54.173 0.744 18296 4945 1 12 . 1 1 55 55 MET CB C 362 35.857 35.857 35.284 0.573 18296 4946 1 12 . 1 1 55 55 MET H H 362 7.575 7.575 7.748 -0.173 18296 4947 1 12 . 1 1 56 56 LYS N N 363 124.429 124.429 124.456 -0.027 18296 4948 1 12 . 1 1 56 56 LYS HA H 363 4.339 4.339 4.427 -0.088 18296 4949 1 12 . 1 1 56 56 LYS C C 363 178.541 178.541 175.144 3.397 18296 4950 1 12 . 1 1 56 56 LYS CA C 363 54.939 54.939 55.147 -0.208 18296 4951 1 12 . 1 1 56 56 LYS CB C 363 35.977 35.977 35.457 0.520 18296 4952 1 12 . 1 1 56 56 LYS H H 363 8.575 8.575 8.091 0.484 18296 4953 1 12 . 1 1 57 57 MET N N 364 123.350 123.350 119.578 3.772 18296 4954 1 12 . 1 1 57 57 MET HA H 364 4.801 4.801 4.556 0.245 18296 4955 1 12 . 1 1 57 57 MET C C 364 178.016 178.016 174.762 3.254 18296 4956 1 12 . 1 1 57 57 MET CA C 364 54.111 54.111 55.339 -1.228 18296 4957 1 12 . 1 1 57 57 MET H H 364 8.484 8.484 8.362 0.122 18296 4958 1 12 . 1 1 58 58 GLU N N 365 121.319 121.319 122.584 -1.265 18296 4959 1 12 . 1 1 58 58 GLU H H 365 8.193 8.193 8.517 -0.324 18296 4960 1 12 . 1 1 59 59 PRO HA H 366 4.665 4.665 4.338 0.327 18296 4961 1 12 . 1 1 59 59 PRO C C 366 176.742 176.742 176.218 0.524 18296 4962 1 12 . 1 1 59 59 PRO CA C 366 62.524 62.524 62.426 0.098 18296 4963 1 12 . 1 1 59 59 PRO CB C 366 32.125 32.125 32.384 -0.259 18296 4964 1 12 . 1 1 60 60 VAL N N 367 122.754 122.754 116.847 5.907 18296 4965 1 12 . 1 1 60 60 VAL HA H 367 4.105 4.105 4.501 -0.396 18296 4966 1 12 . 1 1 60 60 VAL C C 367 178.435 178.435 174.268 4.167 18296 4967 1 12 . 1 1 60 60 VAL CA C 367 61.529 61.529 59.972 1.557 18296 4968 1 12 . 1 1 60 60 VAL CB C 367 34.057 34.057 34.963 -0.906 18296 4969 1 12 . 1 1 60 60 VAL H H 367 8.509 8.509 8.634 -0.125 18296 4970 1 12 . 1 1 61 61 LYS N N 368 126.381 126.381 125.949 0.432 18296 4971 1 12 . 1 1 61 61 LYS HA H 368 4.180 4.180 4.978 -0.798 18296 4972 1 12 . 1 1 61 61 LYS C C 368 177.499 177.499 175.377 2.122 18296 4973 1 12 . 1 1 61 61 LYS CA C 368 56.047 56.047 54.766 1.281 18296 4974 1 12 . 1 1 61 61 LYS CB C 368 33.313 33.313 34.454 -1.141 18296 4975 1 12 . 1 1 61 61 LYS H H 368 8.379 8.379 8.448 -0.069 18296 4976 1 12 . 1 1 62 62 GLU N N 369 123.927 123.927 123.691 0.236 18296 4977 1 12 . 1 1 62 62 GLU HA H 369 4.246 4.246 4.645 -0.399 18296 4978 1 12 . 1 1 62 62 GLU C C 369 177.861 177.861 176.476 1.385 18296 4979 1 12 . 1 1 62 62 GLU CA C 369 55.596 55.596 55.441 0.155 18296 4980 1 12 . 1 1 62 62 GLU CB C 369 31.289 31.289 32.685 -1.396 18296 4981 1 12 . 1 1 62 62 GLU H H 369 8.355 8.355 8.561 -0.206 18296 4982 1 12 . 1 1 63 63 LEU N N 370 124.406 124.406 116.749 7.657 18296 4983 1 12 . 1 1 63 63 LEU HA H 370 4.356 4.356 4.750 -0.394 18296 4984 1 12 . 1 1 63 63 LEU C C 370 176.026 176.026 177.085 -1.059 18296 4985 1 12 . 1 1 63 63 LEU CA C 370 55.223 55.223 55.724 -0.501 18296 4986 1 12 . 1 1 63 63 LEU CB C 370 42.061 42.061 43.034 -0.973 18296 4987 1 12 . 1 1 63 63 LEU H H 370 8.419 8.419 8.470 -0.051 18296 4988 1 12 . 1 1 64 64 THR N N 371 114.722 114.722 113.839 0.883 18296 4989 1 12 . 1 1 64 64 THR HA H 371 4.306 4.306 4.468 -0.162 18296 4990 1 12 . 1 1 64 64 THR C C 371 178.158 178.158 173.285 4.873 18296 4991 1 12 . 1 1 64 64 THR CA C 371 61.196 61.196 62.371 -1.175 18296 4992 1 12 . 1 1 64 64 THR CB C 371 70.416 70.416 69.053 1.363 18296 4993 1 12 . 1 1 64 64 THR H H 371 7.966 7.966 7.750 0.216 18296 4994 1 12 . 1 1 65 65 GLY N N 372 111.711 111.711 109.297 2.414 18296 4995 1 12 . 1 1 65 65 GLY C C 372 178.512 178.512 174.479 4.033 18296 4996 1 12 . 1 1 65 65 GLY CA C 372 46.227 46.227 45.138 1.089 18296 4997 1 12 . 1 1 65 65 GLY H H 372 8.565 8.565 7.989 0.576 18296 4998 1 12 . 1 1 66 66 GLY N N 373 108.771 108.771 110.970 -2.199 18296 4999 1 12 . 1 1 66 66 GLY C C 373 178.999 178.999 175.481 3.518 18296 5000 1 12 . 1 1 66 66 GLY CA C 373 45.287 45.287 46.303 -1.016 18296 5001 1 12 . 1 1 66 66 GLY H H 373 8.227 8.227 8.046 0.181 18296 5002 1 12 . 1 1 67 67 GLY N N 374 108.901 108.901 108.707 0.194 18296 5003 1 12 . 1 1 67 67 GLY C C 374 179.721 179.721 174.118 5.603 18296 5004 1 12 . 1 1 67 67 GLY CA C 374 44.987 44.987 44.899 0.088 18296 5005 1 12 . 1 1 67 67 GLY H H 374 7.876 7.876 7.710 0.166 18296 5006 1 12 . 1 1 68 68 THR N N 375 114.505 114.505 115.373 -0.868 18296 5007 1 12 . 1 1 68 68 THR HA H 375 4.450 4.450 4.079 0.371 18296 5008 1 12 . 1 1 68 68 THR C C 375 178.997 178.997 174.024 4.973 18296 5009 1 12 . 1 1 68 68 THR CA C 375 61.900 61.900 63.032 -1.132 18296 5010 1 12 . 1 1 68 68 THR CB C 375 70.047 70.047 68.443 1.604 18296 5011 1 12 . 1 1 68 68 THR H H 375 8.112 8.112 8.534 -0.422 18296 5012 1 12 . 1 1 69 69 THR N N 376 118.054 118.054 111.826 6.228 18296 5013 1 12 . 1 1 69 69 THR HA H 376 4.302 4.302 4.040 0.262 18296 5014 1 12 . 1 1 69 69 THR C C 376 180.403 180.403 174.527 5.876 18296 5015 1 12 . 1 1 69 69 THR CA C 376 61.114 61.114 64.535 -3.421 18296 5016 1 12 . 1 1 69 69 THR CB C 376 70.422 70.422 67.818 2.604 18296 5017 1 12 . 1 1 69 69 THR H H 376 8.259 8.259 8.163 0.096 18296 5018 1 12 . 1 1 70 70 PHE N N 377 122.009 122.009 125.336 -3.327 18296 5019 1 12 . 1 1 70 70 PHE HA H 377 4.910 4.910 4.706 0.204 18296 5020 1 12 . 1 1 70 70 PHE C C 377 177.972 177.972 175.029 2.943 18296 5021 1 12 . 1 1 70 70 PHE CA C 377 57.227 57.227 58.123 -0.896 18296 5022 1 12 . 1 1 70 70 PHE CB C 377 40.873 40.873 41.037 -0.164 18296 5023 1 12 . 1 1 70 70 PHE H H 377 8.351 8.351 8.094 0.257 18296 5024 1 12 . 1 1 71 71 SER N N 378 117.853 117.853 121.011 -3.158 18296 5025 1 12 . 1 1 71 71 SER HA H 378 4.493 4.493 4.736 -0.243 18296 5026 1 12 . 1 1 71 71 SER C C 378 180.063 180.063 171.851 8.212 18296 5027 1 12 . 1 1 71 71 SER CA C 378 57.276 57.276 57.216 0.060 18296 5028 1 12 . 1 1 71 71 SER CB C 378 64.612 64.612 65.127 -0.515 18296 5029 1 12 . 1 1 71 71 SER H H 378 8.519 8.519 8.276 0.243 18296 5030 1 12 . 1 1 72 72 VAL N N 379 120.162 120.162 121.898 -1.736 18296 5031 1 12 . 1 1 72 72 VAL HA H 379 4.441 4.441 4.213 0.228 18296 5032 1 12 . 1 1 72 72 VAL C C 379 178.192 178.192 174.566 3.626 18296 5033 1 12 . 1 1 72 72 VAL CA C 379 61.369 61.369 61.398 -0.029 18296 5034 1 12 . 1 1 72 72 VAL CB C 379 33.944 33.944 34.164 -0.220 18296 5035 1 12 . 1 1 72 72 VAL H H 379 8.277 8.277 8.398 -0.121 18296 5036 1 12 . 1 1 73 73 ARG N N 380 126.538 126.538 125.715 0.823 18296 5037 1 12 . 1 1 73 73 ARG HA H 380 4.430 4.430 4.648 -0.218 18296 5038 1 12 . 1 1 73 73 ARG C C 380 177.524 177.524 175.119 2.405 18296 5039 1 12 . 1 1 73 73 ARG CA C 380 54.744 54.744 54.741 0.003 18296 5040 1 12 . 1 1 73 73 ARG CB C 380 32.635 32.635 31.368 1.267 18296 5041 1 12 . 1 1 73 73 ARG H H 380 8.727 8.727 8.098 0.629 18296 5042 1 12 . 1 1 74 74 LYS N N 381 126.485 126.485 125.923 0.562 18296 5043 1 12 . 1 1 74 74 LYS HA H 381 4.613 4.613 4.454 0.159 18296 5044 1 12 . 1 1 74 74 LYS C C 381 178.050 178.050 176.335 1.715 18296 5045 1 12 . 1 1 74 74 LYS CA C 381 56.325 56.325 56.012 0.313 18296 5046 1 12 . 1 1 74 74 LYS CB C 381 33.149 33.149 33.314 -0.165 18296 5047 1 12 . 1 1 74 74 LYS H H 381 8.636 8.636 8.508 0.128 18296 5048 1 12 . 1 1 75 75 THR N N 382 120.767 120.767 121.205 -0.438 18296 5049 1 12 . 1 1 75 75 THR HA H 382 3.791 3.791 4.101 -0.310 18296 5050 1 12 . 1 1 75 75 THR C C 382 181.578 181.578 173.168 8.410 18296 5051 1 12 . 1 1 75 75 THR CA C 382 61.703 61.703 62.421 -0.718 18296 5052 1 12 . 1 1 75 75 THR CB C 382 70.771 70.771 67.985 2.786 18296 5053 1 12 . 1 1 75 75 THR H H 382 8.544 8.544 8.469 0.075 18296 5054 1 12 . 1 1 76 76 ALA N N 383 126.390 126.390 128.983 -2.593 18296 5055 1 12 . 1 1 76 76 ALA HA H 383 5.358 5.358 4.729 0.629 18296 5056 1 12 . 1 1 76 76 ALA C C 383 178.931 178.931 176.085 2.846 18296 5057 1 12 . 1 1 76 76 ALA CA C 383 50.669 50.669 50.624 0.045 18296 5058 1 12 . 1 1 76 76 ALA CB C 383 24.682 24.682 20.587 4.095 18296 5059 1 12 . 1 1 76 76 ALA H H 383 7.981 7.981 7.488 0.493 18296 5060 1 12 . 1 1 77 77 TYR N N 384 116.182 116.182 123.475 -7.293 18296 5061 1 12 . 1 1 77 77 TYR HA H 384 5.920 5.920 4.730 1.190 18296 5062 1 12 . 1 1 77 77 TYR C C 384 177.384 177.384 176.429 0.955 18296 5063 1 12 . 1 1 77 77 TYR CA C 384 56.234 56.234 57.296 -1.062 18296 5064 1 12 . 1 1 77 77 TYR CB C 384 43.201 43.201 39.680 3.521 18296 5065 1 12 . 1 1 77 77 TYR H H 384 7.899 7.899 7.890 0.009 18296 5066 1 12 . 1 1 78 78 CYS N N 385 121.146 121.146 118.307 2.839 18296 5067 1 12 . 1 1 78 78 CYS HA H 385 4.312 4.312 3.918 0.394 18296 5068 1 12 . 1 1 78 78 CYS C C 385 178.543 178.543 176.130 2.413 18296 5069 1 12 . 1 1 78 78 CYS CA C 385 58.293 58.293 58.540 -0.247 18296 5070 1 12 . 1 1 78 78 CYS CB C 385 29.815 29.815 28.880 0.935 18296 5071 1 12 . 1 1 78 78 CYS H H 385 9.855 9.855 8.535 1.320 18296 5072 1 12 . 1 1 79 79 ASP N N 386 115.334 115.334 121.172 -5.838 18296 5073 1 12 . 1 1 79 79 ASP HA H 386 3.946 3.946 4.450 -0.504 18296 5074 1 12 . 1 1 79 79 ASP C C 386 175.510 175.510 177.379 -1.869 18296 5075 1 12 . 1 1 79 79 ASP CA C 386 57.118 57.118 56.866 0.252 18296 5076 1 12 . 1 1 79 79 ASP CB C 386 40.495 40.495 41.331 -0.836 18296 5077 1 12 . 1 1 79 79 ASP H H 386 7.657 7.657 8.500 -0.843 18296 5078 1 12 . 1 1 80 80 VAL N N 387 119.872 119.872 113.520 6.352 18296 5079 1 12 . 1 1 80 80 VAL HA H 387 3.579 3.579 4.064 -0.485 18296 5080 1 12 . 1 1 80 80 VAL C C 387 176.437 176.437 175.759 0.678 18296 5081 1 12 . 1 1 80 80 VAL CA C 387 64.272 64.272 62.288 1.984 18296 5082 1 12 . 1 1 80 80 VAL CB C 387 31.798 31.798 29.874 1.924 18296 5083 1 12 . 1 1 80 80 VAL H H 387 7.601 7.601 7.759 -0.158 18296 5084 1 12 . 1 1 81 81 HIS N N 388 119.244 119.244 118.530 0.714 18296 5085 1 12 . 1 1 81 81 HIS HA H 388 4.632 4.632 4.633 -0.001 18296 5086 1 12 . 1 1 81 81 HIS C C 388 180.644 180.644 176.766 3.878 18296 5087 1 12 . 1 1 81 81 HIS CA C 388 56.212 56.212 58.288 -2.076 18296 5088 1 12 . 1 1 81 81 HIS CB C 388 31.774 31.774 32.367 -0.593 18296 5089 1 12 . 1 1 81 81 HIS H H 388 7.385 7.385 7.508 -0.123 18296 5090 1 12 . 1 1 82 82 THR N N 389 117.899 117.899 114.765 3.134 18296 5091 1 12 . 1 1 82 82 THR HA H 389 3.733 3.733 4.353 -0.620 18296 5092 1 12 . 1 1 82 82 THR C C 389 181.155 181.155 173.753 7.402 18296 5093 1 12 . 1 1 82 82 THR CA C 389 61.844 61.844 65.550 -3.707 18296 5094 1 12 . 1 1 82 82 THR CB C 389 70.285 70.285 67.457 2.829 18296 5095 1 12 . 1 1 82 82 THR H H 389 7.133 7.133 7.670 -0.537 18296 5096 1 12 . 1 1 83 83 PRO HA H 390 4.192 4.192 4.416 -0.224 18296 5097 1 12 . 1 1 83 83 PRO CA C 390 61.509 61.509 65.138 -3.629 18296 5098 1 12 . 1 1 83 83 PRO CB C 390 30.773 30.773 30.747 0.026 18296 5099 1 12 . 1 1 84 84 PRO HA H 391 4.220 4.220 4.438 -0.218 18296 5100 1 12 . 1 1 84 84 PRO C C 391 175.949 175.949 177.082 -1.133 18296 5101 1 12 . 1 1 84 84 PRO CA C 391 63.032 63.032 63.400 -0.368 18296 5102 1 12 . 1 1 84 84 PRO CB C 391 31.983 31.983 32.095 -0.112 18296 5103 1 12 . 1 1 85 85 GLY N N 392 109.626 109.626 107.658 1.968 18296 5104 1 12 . 1 1 85 85 GLY C C 392 179.223 179.223 173.276 5.947 18296 5105 1 12 . 1 1 85 85 GLY CA C 392 45.359 45.359 43.412 1.947 18296 5106 1 12 . 1 1 85 85 GLY H H 392 8.367 8.367 7.610 0.757 18296 5107 1 12 . 1 1 86 86 SER N N 393 115.675 115.675 112.008 3.667 18296 5108 1 12 . 1 1 86 86 SER HA H 393 4.354 4.354 4.100 0.254 18296 5109 1 12 . 1 1 86 86 SER C C 393 179.569 179.569 173.903 5.666 18296 5110 1 12 . 1 1 86 86 SER CA C 393 58.521 58.521 59.079 -0.558 18296 5111 1 12 . 1 1 86 86 SER CB C 393 63.913 63.913 61.924 1.989 18296 5112 1 12 . 1 1 86 86 SER H H 393 8.022 8.022 8.548 -0.526 18296 5113 1 13 . 1 1 10 10 ASN N N 317 120.101 120.101 117.619 2.482 18296 5114 1 13 . 1 1 10 10 ASN HA H 317 4.501 4.501 4.952 -0.451 18296 5115 1 13 . 1 1 10 10 ASN C C 317 179.015 179.015 173.621 5.394 18296 5116 1 13 . 1 1 10 10 ASN CA C 317 53.191 53.191 52.409 0.782 18296 5117 1 13 . 1 1 10 10 ASN CB C 317 38.650 38.650 39.596 -0.946 18296 5118 1 13 . 1 1 10 10 ASN H H 317 8.415 8.415 8.182 0.233 18296 5119 1 13 . 1 1 11 11 ILE N N 318 122.869 122.869 122.491 0.378 18296 5120 1 13 . 1 1 11 11 ILE HA H 318 4.250 4.250 4.444 -0.194 18296 5121 1 13 . 1 1 11 11 ILE C C 318 179.506 179.506 175.469 4.037 18296 5122 1 13 . 1 1 11 11 ILE CA C 318 58.332 58.332 58.765 -0.433 18296 5123 1 13 . 1 1 11 11 ILE CB C 318 38.713 38.713 38.045 0.667 18296 5124 1 13 . 1 1 11 11 ILE H H 318 7.924 7.924 8.409 -0.485 18296 5125 1 13 . 1 1 12 12 PRO HA H 319 4.359 4.359 4.347 0.012 18296 5126 1 13 . 1 1 12 12 PRO CA C 319 61.487 61.487 65.703 -4.216 18296 5127 1 13 . 1 1 12 12 PRO CB C 319 30.960 30.960 29.977 0.983 18296 5128 1 13 . 1 1 13 13 PRO HA H 320 3.968 3.968 4.515 -0.547 18296 5129 1 13 . 1 1 13 13 PRO C C 320 176.730 176.730 175.892 0.838 18296 5130 1 13 . 1 1 13 13 PRO CA C 320 62.874 62.874 62.817 0.057 18296 5131 1 13 . 1 1 13 13 PRO CB C 320 31.948 31.948 31.272 0.676 18296 5132 1 13 . 1 1 14 14 ALA N N 321 123.469 123.469 120.835 2.634 18296 5133 1 13 . 1 1 14 14 ALA HA H 321 3.952 3.952 4.685 -0.733 18296 5134 1 13 . 1 1 14 14 ALA C C 321 175.208 175.208 177.272 -2.064 18296 5135 1 13 . 1 1 14 14 ALA CA C 321 52.876 52.876 52.041 0.835 18296 5136 1 13 . 1 1 14 14 ALA CB C 321 18.896 18.896 19.262 -0.366 18296 5137 1 13 . 1 1 14 14 ALA H H 321 8.108 8.108 7.563 0.545 18296 5138 1 13 . 1 1 15 15 ARG N N 322 118.725 118.725 119.557 -0.832 18296 5139 1 13 . 1 1 15 15 ARG HA H 322 3.943 3.943 4.148 -0.205 18296 5140 1 13 . 1 1 15 15 ARG C C 322 176.870 176.870 176.944 -0.074 18296 5141 1 13 . 1 1 15 15 ARG CA C 322 56.737 56.737 58.428 -1.691 18296 5142 1 13 . 1 1 15 15 ARG CB C 322 30.230 30.230 30.257 -0.027 18296 5143 1 13 . 1 1 15 15 ARG H H 322 8.077 8.077 7.840 0.237 18296 5144 1 13 . 1 1 16 16 TRP N N 323 120.113 120.113 118.814 1.299 18296 5145 1 13 . 1 1 16 16 TRP HA H 323 4.471 4.471 4.880 -0.409 18296 5146 1 13 . 1 1 16 16 TRP C C 323 177.322 177.322 174.884 2.438 18296 5147 1 13 . 1 1 16 16 TRP CA C 323 57.143 57.143 53.901 3.242 18296 5148 1 13 . 1 1 16 16 TRP CB C 323 29.192 29.192 27.751 1.441 18296 5149 1 13 . 1 1 16 16 TRP H H 323 7.634 7.634 7.944 -0.310 18296 5150 1 13 . 1 1 17 17 LYS N N 324 121.400 121.400 122.747 -1.347 18296 5151 1 13 . 1 1 17 17 LYS HA H 324 3.951 3.951 4.250 -0.299 18296 5152 1 13 . 1 1 17 17 LYS C C 324 179.457 179.457 175.085 4.372 18296 5153 1 13 . 1 1 17 17 LYS CA C 324 56.502 56.502 55.601 0.901 18296 5154 1 13 . 1 1 17 17 LYS CB C 324 32.867 32.867 32.325 0.542 18296 5155 1 13 . 1 1 17 17 LYS H H 324 7.735 7.735 7.513 0.222 18296 5156 1 13 . 1 1 18 18 LEU N N 325 121.064 121.064 125.682 -4.618 18296 5157 1 13 . 1 1 18 18 LEU HA H 325 4.141 4.141 4.535 -0.394 18296 5158 1 13 . 1 1 18 18 LEU C C 325 176.781 176.781 176.088 0.693 18296 5159 1 13 . 1 1 18 18 LEU CA C 325 54.574 54.574 54.099 0.475 18296 5160 1 13 . 1 1 18 18 LEU CB C 325 42.252 42.252 42.291 -0.039 18296 5161 1 13 . 1 1 18 18 LEU H H 325 7.708 7.708 8.215 -0.507 18296 5162 1 13 . 1 1 19 19 THR N N 326 117.252 117.252 118.017 -0.765 18296 5163 1 13 . 1 1 19 19 THR HA H 326 3.935 3.935 4.521 -0.586 18296 5164 1 13 . 1 1 19 19 THR C C 326 180.854 180.854 173.569 7.285 18296 5165 1 13 . 1 1 19 19 THR CA C 326 61.977 61.977 61.061 0.916 18296 5166 1 13 . 1 1 19 19 THR CB C 326 70.166 70.166 70.759 -0.593 18296 5167 1 13 . 1 1 19 19 THR H H 326 7.915 7.915 8.203 -0.288 18296 5168 1 13 . 1 1 20 20 CYS N N 327 127.254 127.254 123.652 3.602 18296 5169 1 13 . 1 1 20 20 CYS HA H 327 4.324 4.324 4.926 -0.602 18296 5170 1 13 . 1 1 20 20 CYS C C 327 175.898 175.898 176.733 -0.835 18296 5171 1 13 . 1 1 20 20 CYS CA C 327 57.928 57.928 57.052 0.876 18296 5172 1 13 . 1 1 20 20 CYS CB C 327 31.298 31.298 27.640 3.658 18296 5173 1 13 . 1 1 20 20 CYS H H 327 8.055 8.055 8.497 -0.442 18296 5174 1 13 . 1 1 21 21 TYR N N 328 129.752 129.752 125.823 3.929 18296 5175 1 13 . 1 1 21 21 TYR HA H 328 4.488 4.488 4.400 0.088 18296 5176 1 13 . 1 1 21 21 TYR C C 328 178.625 178.625 175.856 2.769 18296 5177 1 13 . 1 1 21 21 TYR CA C 328 58.951 58.951 59.219 -0.268 18296 5178 1 13 . 1 1 21 21 TYR CB C 328 37.712 37.712 37.717 -0.005 18296 5179 1 13 . 1 1 21 21 TYR H H 328 9.082 9.082 8.096 0.986 18296 5180 1 13 . 1 1 22 22 LEU N N 329 124.057 124.057 118.361 5.696 18296 5181 1 13 . 1 1 22 22 LEU HA H 329 3.749 3.749 4.398 -0.649 18296 5182 1 13 . 1 1 22 22 LEU C C 329 176.268 176.268 176.839 -0.571 18296 5183 1 13 . 1 1 22 22 LEU CA C 329 56.514 56.514 54.824 1.690 18296 5184 1 13 . 1 1 22 22 LEU CB C 329 42.975 42.975 42.042 0.932 18296 5185 1 13 . 1 1 22 22 LEU H H 329 8.140 8.140 7.410 0.730 18296 5186 1 13 . 1 1 23 23 CYS N N 330 117.734 117.734 116.882 0.852 18296 5187 1 13 . 1 1 23 23 CYS HA H 330 4.741 4.741 4.811 -0.070 18296 5188 1 13 . 1 1 23 23 CYS C C 330 177.769 177.769 172.968 4.801 18296 5189 1 13 . 1 1 23 23 CYS CA C 330 58.459 58.459 57.578 0.881 18296 5190 1 13 . 1 1 23 23 CYS CB C 330 30.918 30.918 31.437 -0.519 18296 5191 1 13 . 1 1 23 23 CYS H H 330 7.971 7.971 7.289 0.682 18296 5192 1 13 . 1 1 24 24 LYS N N 331 118.437 118.437 119.871 -1.434 18296 5193 1 13 . 1 1 24 24 LYS HA H 331 3.980 3.980 4.437 -0.457 18296 5194 1 13 . 1 1 24 24 LYS C C 331 178.178 178.178 175.367 2.811 18296 5195 1 13 . 1 1 24 24 LYS CA C 331 57.520 57.520 56.548 0.972 18296 5196 1 13 . 1 1 24 24 LYS CB C 331 29.278 29.278 32.849 -3.571 18296 5197 1 13 . 1 1 24 24 LYS H H 331 7.842 7.842 8.371 -0.529 18296 5198 1 13 . 1 1 25 25 GLN N N 332 118.445 118.445 119.789 -1.344 18296 5199 1 13 . 1 1 25 25 GLN HA H 332 4.574 4.574 4.572 0.002 18296 5200 1 13 . 1 1 25 25 GLN C C 332 177.619 177.619 174.693 2.926 18296 5201 1 13 . 1 1 25 25 GLN CA C 332 54.362 54.362 55.017 -0.655 18296 5202 1 13 . 1 1 25 25 GLN CB C 332 31.843 31.843 30.480 1.363 18296 5203 1 13 . 1 1 25 25 GLN H H 332 8.306 8.306 8.070 0.236 18296 5204 1 13 . 1 1 26 26 LYS N N 333 122.851 122.851 123.418 -0.567 18296 5205 1 13 . 1 1 26 26 LYS HA H 333 4.222 4.222 4.369 -0.147 18296 5206 1 13 . 1 1 26 26 LYS C C 333 175.456 175.456 176.976 -1.520 18296 5207 1 13 . 1 1 26 26 LYS CA C 333 57.729 57.729 56.676 1.053 18296 5208 1 13 . 1 1 26 26 LYS CB C 333 32.925 32.925 32.267 0.657 18296 5209 1 13 . 1 1 26 26 LYS H H 333 8.545 8.545 8.635 -0.090 18296 5210 1 13 . 1 1 27 27 GLY N N 334 107.216 107.216 113.287 -6.071 18296 5211 1 13 . 1 1 27 27 GLY C C 334 180.017 180.017 174.426 5.591 18296 5212 1 13 . 1 1 27 27 GLY CA C 334 45.559 45.559 45.134 0.425 18296 5213 1 13 . 1 1 27 27 GLY H H 334 8.348 8.348 8.867 -0.519 18296 5214 1 13 . 1 1 28 28 VAL N N 335 117.437 117.437 116.030 1.407 18296 5215 1 13 . 1 1 28 28 VAL HA H 335 4.133 4.133 4.304 -0.171 18296 5216 1 13 . 1 1 28 28 VAL C C 335 177.439 177.439 176.326 1.113 18296 5217 1 13 . 1 1 28 28 VAL CA C 335 61.502 61.502 62.892 -1.389 18296 5218 1 13 . 1 1 28 28 VAL CB C 335 33.563 33.563 32.474 1.089 18296 5219 1 13 . 1 1 28 28 VAL H H 335 7.867 7.867 8.445 -0.578 18296 5220 1 13 . 1 1 29 29 GLY N N 336 110.723 110.723 109.848 0.875 18296 5221 1 13 . 1 1 29 29 GLY C C 336 180.088 180.088 173.614 6.474 18296 5222 1 13 . 1 1 29 29 GLY CA C 336 44.344 44.344 45.765 -1.421 18296 5223 1 13 . 1 1 29 29 GLY H H 336 8.186 8.186 8.469 -0.283 18296 5224 1 13 . 1 1 30 30 ALA N N 337 122.643 122.643 125.540 -2.897 18296 5225 1 13 . 1 1 30 30 ALA HA H 337 4.193 4.193 4.813 -0.620 18296 5226 1 13 . 1 1 30 30 ALA C C 337 175.274 175.274 175.998 -0.724 18296 5227 1 13 . 1 1 30 30 ALA CA C 337 52.904 52.904 51.230 1.674 18296 5228 1 13 . 1 1 30 30 ALA CB C 337 19.677 19.677 20.546 -0.869 18296 5229 1 13 . 1 1 30 30 ALA H H 337 8.269 8.269 8.038 0.231 18296 5230 1 13 . 1 1 31 31 SER N N 338 117.644 117.644 117.563 0.081 18296 5231 1 13 . 1 1 31 31 SER HA H 338 4.775 4.775 4.650 0.125 18296 5232 1 13 . 1 1 31 31 SER C C 338 180.923 180.923 173.401 7.522 18296 5233 1 13 . 1 1 31 31 SER CA C 338 57.406 57.406 57.363 0.043 18296 5234 1 13 . 1 1 31 31 SER CB C 338 65.388 65.388 64.358 1.030 18296 5235 1 13 . 1 1 31 31 SER H H 338 8.415 8.415 8.422 -0.007 18296 5236 1 13 . 1 1 32 32 ILE N N 339 121.240 121.240 124.894 -3.654 18296 5237 1 13 . 1 1 32 32 ILE HA H 339 4.123 4.123 4.270 -0.147 18296 5238 1 13 . 1 1 32 32 ILE C C 339 181.302 181.302 173.599 7.703 18296 5239 1 13 . 1 1 32 32 ILE CA C 339 59.768 59.768 59.250 0.518 18296 5240 1 13 . 1 1 32 32 ILE CB C 339 41.252 41.252 40.949 0.303 18296 5241 1 13 . 1 1 32 32 ILE H H 339 8.522 8.522 8.704 -0.182 18296 5242 1 13 . 1 1 33 33 GLN N N 340 120.384 120.384 126.129 -5.745 18296 5243 1 13 . 1 1 33 33 GLN HA H 340 4.335 4.335 4.955 -0.620 18296 5244 1 13 . 1 1 33 33 GLN C C 340 179.377 179.377 174.924 4.453 18296 5245 1 13 . 1 1 33 33 GLN CA C 340 53.739 53.739 54.043 -0.304 18296 5246 1 13 . 1 1 33 33 GLN CB C 340 32.179 32.179 31.530 0.649 18296 5247 1 13 . 1 1 33 33 GLN H H 340 7.720 7.720 8.169 -0.449 18296 5248 1 13 . 1 1 34 34 CYS N N 341 125.463 125.463 127.209 -1.746 18296 5249 1 13 . 1 1 34 34 CYS HA H 341 4.036 4.036 4.534 -0.498 18296 5250 1 13 . 1 1 34 34 CYS C C 341 178.269 178.269 176.140 2.129 18296 5251 1 13 . 1 1 34 34 CYS CA C 341 60.992 60.992 59.561 1.431 18296 5252 1 13 . 1 1 34 34 CYS CB C 341 32.346 32.346 27.641 4.705 18296 5253 1 13 . 1 1 34 34 CYS H H 341 8.292 8.292 8.695 -0.403 18296 5254 1 13 . 1 1 35 35 HIS N N 342 126.611 126.611 129.361 -2.750 18296 5255 1 13 . 1 1 35 35 HIS HA H 342 4.128 4.128 4.310 -0.182 18296 5256 1 13 . 1 1 35 35 HIS CA C 342 57.556 57.556 58.425 -0.869 18296 5257 1 13 . 1 1 35 35 HIS CB C 342 29.945 29.945 30.870 -0.925 18296 5258 1 13 . 1 1 35 35 HIS H H 342 8.722 8.722 8.558 0.164 18296 5259 1 13 . 1 1 36 36 LYS N N 343 124.049 124.049 117.839 6.210 18296 5260 1 13 . 1 1 36 36 LYS HA H 343 3.940 3.940 3.987 -0.047 18296 5261 1 13 . 1 1 36 36 LYS C C 343 176.701 176.701 176.407 0.294 18296 5262 1 13 . 1 1 36 36 LYS CA C 343 56.155 56.155 56.177 -0.022 18296 5263 1 13 . 1 1 36 36 LYS CB C 343 33.033 33.033 32.393 0.640 18296 5264 1 13 . 1 1 36 36 LYS H H 343 8.567 8.567 8.053 0.514 18296 5265 1 13 . 1 1 37 37 ALA N N 344 130.751 130.751 128.424 2.327 18296 5266 1 13 . 1 1 37 37 ALA HA H 344 3.733 3.733 3.197 0.536 18296 5267 1 13 . 1 1 37 37 ALA C C 344 175.302 175.302 177.747 -2.445 18296 5268 1 13 . 1 1 37 37 ALA CA C 344 53.917 53.917 53.692 0.225 18296 5269 1 13 . 1 1 37 37 ALA CB C 344 18.206 18.206 18.352 -0.145 18296 5270 1 13 . 1 1 37 37 ALA H H 344 8.363 8.363 8.492 -0.129 18296 5271 1 13 . 1 1 38 38 ASN N N 345 114.094 114.094 115.869 -1.775 18296 5272 1 13 . 1 1 38 38 ASN HA H 345 3.885 3.885 4.611 -0.726 18296 5273 1 13 . 1 1 38 38 ASN C C 345 181.195 181.195 176.403 4.792 18296 5274 1 13 . 1 1 38 38 ASN CA C 345 53.606 53.606 55.012 -1.406 18296 5275 1 13 . 1 1 38 38 ASN CB C 345 37.443 37.443 38.770 -1.327 18296 5276 1 13 . 1 1 38 38 ASN H H 345 8.292 8.292 8.464 -0.172 18296 5277 1 13 . 1 1 39 39 CYS N N 346 121.417 121.417 118.313 3.104 18296 5278 1 13 . 1 1 39 39 CYS C C 346 178.723 178.723 175.757 2.966 18296 5279 1 13 . 1 1 39 39 CYS H H 346 7.283 7.283 7.664 -0.381 18296 5280 1 13 . 1 1 40 40 TYR HA H 347 4.212 4.212 4.270 -0.058 18296 5281 1 13 . 1 1 40 40 TYR C C 347 178.156 178.156 174.373 3.783 18296 5282 1 13 . 1 1 40 40 TYR CA C 347 56.478 56.478 59.131 -2.653 18296 5283 1 13 . 1 1 40 40 TYR CB C 347 37.446 37.446 35.646 1.800 18296 5284 1 13 . 1 1 40 40 TYR H H 347 7.923 7.923 8.064 -0.141 18296 5285 1 13 . 1 1 41 41 THR N N 348 122.674 122.674 116.009 6.665 18296 5286 1 13 . 1 1 41 41 THR HA H 348 3.806 3.806 4.758 -0.952 18296 5287 1 13 . 1 1 41 41 THR C C 348 182.343 182.343 173.259 9.084 18296 5288 1 13 . 1 1 41 41 THR CA C 348 64.932 64.932 61.871 3.061 18296 5289 1 13 . 1 1 41 41 THR CB C 348 68.772 68.772 71.295 -2.523 18296 5290 1 13 . 1 1 41 41 THR H H 348 8.421 8.421 7.810 0.611 18296 5291 1 13 . 1 1 42 42 ALA N N 349 130.177 130.177 127.913 2.264 18296 5292 1 13 . 1 1 42 42 ALA HA H 349 4.967 4.967 5.316 -0.349 18296 5293 1 13 . 1 1 42 42 ALA C C 349 176.955 176.955 176.030 0.925 18296 5294 1 13 . 1 1 42 42 ALA CA C 349 49.997 49.997 50.722 -0.725 18296 5295 1 13 . 1 1 42 42 ALA CB C 349 23.467 23.467 21.441 2.026 18296 5296 1 13 . 1 1 42 42 ALA H H 349 8.856 8.856 8.855 0.001 18296 5297 1 13 . 1 1 43 43 PHE N N 350 113.053 113.053 119.176 -6.123 18296 5298 1 13 . 1 1 43 43 PHE HA H 350 5.525 5.525 4.678 0.847 18296 5299 1 13 . 1 1 43 43 PHE C C 350 177.894 177.894 173.405 4.489 18296 5300 1 13 . 1 1 43 43 PHE CA C 350 53.625 53.625 56.330 -2.705 18296 5301 1 13 . 1 1 43 43 PHE CB C 350 39.459 39.459 40.876 -1.417 18296 5302 1 13 . 1 1 43 43 PHE H H 350 7.912 7.912 8.852 -0.940 18296 5303 1 13 . 1 1 44 44 HIS N N 351 118.497 118.497 118.845 -0.348 18296 5304 1 13 . 1 1 44 44 HIS HA H 351 4.892 4.892 4.807 0.085 18296 5305 1 13 . 1 1 44 44 HIS C C 351 176.371 176.371 176.898 -0.527 18296 5306 1 13 . 1 1 44 44 HIS CA C 351 58.019 58.019 57.053 0.966 18296 5307 1 13 . 1 1 44 44 HIS CB C 351 31.716 31.716 30.144 1.572 18296 5308 1 13 . 1 1 44 44 HIS H H 351 9.335 9.335 8.302 1.033 18296 5309 1 13 . 1 1 45 45 VAL N N 352 124.407 124.407 122.249 2.158 18296 5310 1 13 . 1 1 45 45 VAL HA H 352 3.476 3.476 3.777 -0.301 18296 5311 1 13 . 1 1 45 45 VAL C C 352 175.305 175.305 177.733 -2.428 18296 5312 1 13 . 1 1 45 45 VAL CA C 352 67.359 67.359 66.367 0.992 18296 5313 1 13 . 1 1 45 45 VAL CB C 352 31.627 31.627 31.427 0.200 18296 5314 1 13 . 1 1 45 45 VAL H H 352 8.654 8.654 8.132 0.522 18296 5315 1 13 . 1 1 46 46 THR N N 353 111.166 111.166 115.231 -4.065 18296 5316 1 13 . 1 1 46 46 THR HA H 353 3.997 3.997 3.975 0.021 18296 5317 1 13 . 1 1 46 46 THR C C 353 175.010 175.010 175.983 -0.973 18296 5318 1 13 . 1 1 46 46 THR CA C 353 65.008 65.008 65.934 -0.926 18296 5319 1 13 . 1 1 46 46 THR CB C 353 67.830 67.830 68.511 -0.681 18296 5320 1 13 . 1 1 46 46 THR H H 353 8.370 8.370 8.425 -0.055 18296 5321 1 13 . 1 1 47 47 CYS N N 354 120.975 120.975 119.249 1.726 18296 5322 1 13 . 1 1 47 47 CYS HA H 354 3.762 3.762 4.380 -0.618 18296 5323 1 13 . 1 1 47 47 CYS C C 354 175.912 175.912 176.993 -1.081 18296 5324 1 13 . 1 1 47 47 CYS CA C 354 63.372 63.372 62.095 1.277 18296 5325 1 13 . 1 1 47 47 CYS CB C 354 29.076 29.076 25.820 3.256 18296 5326 1 13 . 1 1 47 47 CYS H H 354 6.668 6.668 8.515 -1.847 18296 5327 1 13 . 1 1 48 48 ALA N N 355 123.247 123.247 123.648 -0.401 18296 5328 1 13 . 1 1 48 48 ALA HA H 355 3.511 3.511 4.120 -0.609 18296 5329 1 13 . 1 1 48 48 ALA C C 355 174.031 174.031 179.231 -5.200 18296 5330 1 13 . 1 1 48 48 ALA CA C 355 55.045 55.045 55.178 -0.134 18296 5331 1 13 . 1 1 48 48 ALA CB C 355 19.962 19.962 19.032 0.930 18296 5332 1 13 . 1 1 48 48 ALA H H 355 8.481 8.481 7.818 0.663 18296 5333 1 13 . 1 1 49 49 GLN N N 356 118.150 118.150 117.199 0.951 18296 5334 1 13 . 1 1 49 49 GLN HA H 356 4.003 4.003 3.976 0.027 18296 5335 1 13 . 1 1 49 49 GLN C C 356 173.755 173.755 178.323 -4.568 18296 5336 1 13 . 1 1 49 49 GLN CA C 356 58.728 58.728 58.367 0.360 18296 5337 1 13 . 1 1 49 49 GLN CB C 356 28.196 28.196 28.261 -0.065 18296 5338 1 13 . 1 1 49 49 GLN H H 356 8.055 8.055 7.920 0.135 18296 5339 1 13 . 1 1 50 50 LYS N N 357 120.248 120.248 119.025 1.223 18296 5340 1 13 . 1 1 50 50 LYS HA H 357 3.866 3.866 4.175 -0.309 18296 5341 1 13 . 1 1 50 50 LYS C C 357 175.624 175.624 178.148 -2.524 18296 5342 1 13 . 1 1 50 50 LYS CA C 357 58.989 58.989 57.698 1.291 18296 5343 1 13 . 1 1 50 50 LYS CB C 357 32.377 32.377 32.620 -0.243 18296 5344 1 13 . 1 1 50 50 LYS H H 357 7.628 7.628 7.948 -0.320 18296 5345 1 13 . 1 1 51 51 ALA N N 358 118.343 118.343 119.950 -1.607 18296 5346 1 13 . 1 1 51 51 ALA HA H 358 4.138 4.138 4.256 -0.118 18296 5347 1 13 . 1 1 51 51 ALA C C 358 176.132 176.132 178.112 -1.980 18296 5348 1 13 . 1 1 51 51 ALA CA C 358 52.263 52.263 53.091 -0.828 18296 5349 1 13 . 1 1 51 51 ALA CB C 358 19.690 19.690 19.718 -0.028 18296 5350 1 13 . 1 1 51 51 ALA H H 358 7.558 7.558 7.422 0.136 18296 5351 1 13 . 1 1 52 52 GLY N N 359 107.058 107.058 107.168 -0.110 18296 5352 1 13 . 1 1 52 52 GLY C C 359 178.221 178.221 173.572 4.649 18296 5353 1 13 . 1 1 52 52 GLY CA C 359 46.323 46.323 44.961 1.362 18296 5354 1 13 . 1 1 52 52 GLY H H 359 7.481 7.481 8.044 -0.563 18296 5355 1 13 . 1 1 53 53 LEU N N 360 118.335 118.335 115.764 2.571 18296 5356 1 13 . 1 1 53 53 LEU HA H 360 4.002 4.002 4.997 -0.995 18296 5357 1 13 . 1 1 53 53 LEU C C 360 176.917 176.917 176.194 0.723 18296 5358 1 13 . 1 1 53 53 LEU CA C 360 54.926 54.926 52.061 2.865 18296 5359 1 13 . 1 1 53 53 LEU CB C 360 39.949 39.949 43.272 -3.323 18296 5360 1 13 . 1 1 53 53 LEU H H 360 7.502 7.502 7.267 0.235 18296 5361 1 13 . 1 1 54 54 TYR N N 361 124.191 124.191 120.894 3.297 18296 5362 1 13 . 1 1 54 54 TYR HA H 361 4.024 4.024 4.480 -0.456 18296 5363 1 13 . 1 1 54 54 TYR C C 361 178.584 178.584 174.654 3.930 18296 5364 1 13 . 1 1 54 54 TYR CA C 361 59.385 59.385 59.119 0.266 18296 5365 1 13 . 1 1 54 54 TYR CB C 361 39.068 39.068 39.183 -0.115 18296 5366 1 13 . 1 1 54 54 TYR H H 361 9.307 9.307 8.729 0.578 18296 5367 1 13 . 1 1 55 55 MET N N 362 127.473 127.473 128.328 -0.855 18296 5368 1 13 . 1 1 55 55 MET HA H 362 4.953 4.953 4.601 0.351 18296 5369 1 13 . 1 1 55 55 MET C C 362 179.342 179.342 174.235 5.107 18296 5370 1 13 . 1 1 55 55 MET CA C 362 54.918 54.918 54.143 0.775 18296 5371 1 13 . 1 1 55 55 MET CB C 362 35.857 35.857 34.496 1.361 18296 5372 1 13 . 1 1 55 55 MET H H 362 7.575 7.575 8.085 -0.510 18296 5373 1 13 . 1 1 56 56 LYS N N 363 124.429 124.429 126.257 -1.828 18296 5374 1 13 . 1 1 56 56 LYS HA H 363 4.339 4.339 4.313 0.026 18296 5375 1 13 . 1 1 56 56 LYS C C 363 178.541 178.541 175.407 3.134 18296 5376 1 13 . 1 1 56 56 LYS CA C 363 54.939 54.939 55.727 -0.788 18296 5377 1 13 . 1 1 56 56 LYS CB C 363 35.977 35.977 34.176 1.801 18296 5378 1 13 . 1 1 56 56 LYS H H 363 8.575 8.575 7.985 0.590 18296 5379 1 13 . 1 1 57 57 MET N N 364 123.350 123.350 121.319 2.031 18296 5380 1 13 . 1 1 57 57 MET HA H 364 4.801 4.801 4.892 -0.091 18296 5381 1 13 . 1 1 57 57 MET C C 364 178.016 178.016 175.596 2.420 18296 5382 1 13 . 1 1 57 57 MET CA C 364 54.111 54.111 55.199 -1.087 18296 5383 1 13 . 1 1 57 57 MET H H 364 8.484 8.484 8.344 0.140 18296 5384 1 13 . 1 1 58 58 GLU N N 365 121.319 121.319 119.600 1.719 18296 5385 1 13 . 1 1 58 58 GLU H H 365 8.193 8.193 8.657 -0.464 18296 5386 1 13 . 1 1 59 59 PRO HA H 366 4.665 4.665 4.402 0.263 18296 5387 1 13 . 1 1 59 59 PRO C C 366 176.742 176.742 176.315 0.427 18296 5388 1 13 . 1 1 59 59 PRO CA C 366 62.524 62.524 62.598 -0.074 18296 5389 1 13 . 1 1 59 59 PRO CB C 366 32.125 32.125 32.196 -0.071 18296 5390 1 13 . 1 1 60 60 VAL N N 367 122.754 122.754 119.483 3.271 18296 5391 1 13 . 1 1 60 60 VAL HA H 367 4.105 4.105 4.438 -0.333 18296 5392 1 13 . 1 1 60 60 VAL C C 367 178.435 178.435 174.455 3.980 18296 5393 1 13 . 1 1 60 60 VAL CA C 367 61.529 61.529 60.998 0.531 18296 5394 1 13 . 1 1 60 60 VAL CB C 367 34.057 34.057 32.546 1.511 18296 5395 1 13 . 1 1 60 60 VAL H H 367 8.509 8.509 8.789 -0.280 18296 5396 1 13 . 1 1 61 61 LYS N N 368 126.381 126.381 127.093 -0.712 18296 5397 1 13 . 1 1 61 61 LYS HA H 368 4.180 4.180 4.649 -0.469 18296 5398 1 13 . 1 1 61 61 LYS C C 368 177.499 177.499 176.236 1.263 18296 5399 1 13 . 1 1 61 61 LYS CA C 368 56.047 56.047 55.606 0.441 18296 5400 1 13 . 1 1 61 61 LYS CB C 368 33.313 33.313 34.208 -0.895 18296 5401 1 13 . 1 1 61 61 LYS H H 368 8.379 8.379 8.251 0.128 18296 5402 1 13 . 1 1 62 62 GLU N N 369 123.927 123.927 118.234 5.693 18296 5403 1 13 . 1 1 62 62 GLU HA H 369 4.246 4.246 4.197 0.049 18296 5404 1 13 . 1 1 62 62 GLU C C 369 177.861 177.861 175.123 2.738 18296 5405 1 13 . 1 1 62 62 GLU CA C 369 55.596 55.596 57.050 -1.454 18296 5406 1 13 . 1 1 62 62 GLU CB C 369 31.289 31.289 29.865 1.424 18296 5407 1 13 . 1 1 62 62 GLU H H 369 8.355 8.355 8.411 -0.056 18296 5408 1 13 . 1 1 63 63 LEU N N 370 124.406 124.406 120.111 4.295 18296 5409 1 13 . 1 1 63 63 LEU HA H 370 4.356 4.356 4.462 -0.106 18296 5410 1 13 . 1 1 63 63 LEU C C 370 176.026 176.026 176.308 -0.282 18296 5411 1 13 . 1 1 63 63 LEU CA C 370 55.223 55.223 55.629 -0.406 18296 5412 1 13 . 1 1 63 63 LEU CB C 370 42.061 42.061 43.418 -1.357 18296 5413 1 13 . 1 1 63 63 LEU H H 370 8.419 8.419 8.680 -0.261 18296 5414 1 13 . 1 1 64 64 THR N N 371 114.722 114.722 113.970 0.752 18296 5415 1 13 . 1 1 64 64 THR HA H 371 4.306 4.306 4.277 0.029 18296 5416 1 13 . 1 1 64 64 THR C C 371 178.158 178.158 175.036 3.122 18296 5417 1 13 . 1 1 64 64 THR CA C 371 61.196 61.196 63.290 -2.094 18296 5418 1 13 . 1 1 64 64 THR CB C 371 70.416 70.416 67.876 2.540 18296 5419 1 13 . 1 1 64 64 THR H H 371 7.966 7.966 8.065 -0.099 18296 5420 1 13 . 1 1 65 65 GLY N N 372 111.711 111.711 113.361 -1.650 18296 5421 1 13 . 1 1 65 65 GLY C C 372 178.512 178.512 174.930 3.582 18296 5422 1 13 . 1 1 65 65 GLY CA C 372 46.227 46.227 45.031 1.196 18296 5423 1 13 . 1 1 65 65 GLY H H 372 8.565 8.565 8.638 -0.073 18296 5424 1 13 . 1 1 66 66 GLY N N 373 108.771 108.771 106.664 2.107 18296 5425 1 13 . 1 1 66 66 GLY C C 373 178.999 178.999 174.615 4.384 18296 5426 1 13 . 1 1 66 66 GLY CA C 373 45.287 45.287 45.327 -0.040 18296 5427 1 13 . 1 1 66 66 GLY H H 373 8.227 8.227 8.250 -0.023 18296 5428 1 13 . 1 1 67 67 GLY N N 374 108.901 108.901 109.791 -0.890 18296 5429 1 13 . 1 1 67 67 GLY C C 374 179.721 179.721 173.940 5.781 18296 5430 1 13 . 1 1 67 67 GLY CA C 374 44.987 44.987 45.431 -0.444 18296 5431 1 13 . 1 1 67 67 GLY H H 374 7.876 7.876 8.304 -0.428 18296 5432 1 13 . 1 1 68 68 THR N N 375 114.505 114.505 116.353 -1.848 18296 5433 1 13 . 1 1 68 68 THR HA H 375 4.450 4.450 4.158 0.292 18296 5434 1 13 . 1 1 68 68 THR C C 375 178.997 178.997 172.957 6.040 18296 5435 1 13 . 1 1 68 68 THR CA C 375 61.900 61.900 63.349 -1.449 18296 5436 1 13 . 1 1 68 68 THR CB C 375 70.047 70.047 68.376 1.671 18296 5437 1 13 . 1 1 68 68 THR H H 375 8.112 8.112 7.979 0.133 18296 5438 1 13 . 1 1 69 69 THR N N 376 118.054 118.054 117.285 0.769 18296 5439 1 13 . 1 1 69 69 THR HA H 376 4.302 4.302 4.359 -0.057 18296 5440 1 13 . 1 1 69 69 THR C C 376 180.403 180.403 173.123 7.280 18296 5441 1 13 . 1 1 69 69 THR CA C 376 61.114 61.114 59.726 1.388 18296 5442 1 13 . 1 1 69 69 THR CB C 376 70.422 70.422 70.749 -0.327 18296 5443 1 13 . 1 1 69 69 THR H H 376 8.259 8.259 7.734 0.525 18296 5444 1 13 . 1 1 70 70 PHE N N 377 122.009 122.009 123.416 -1.407 18296 5445 1 13 . 1 1 70 70 PHE HA H 377 4.910 4.910 4.774 0.136 18296 5446 1 13 . 1 1 70 70 PHE C C 377 177.972 177.972 174.862 3.110 18296 5447 1 13 . 1 1 70 70 PHE CA C 377 57.227 57.227 56.686 0.541 18296 5448 1 13 . 1 1 70 70 PHE CB C 377 40.873 40.873 39.085 1.788 18296 5449 1 13 . 1 1 70 70 PHE H H 377 8.351 8.351 7.987 0.364 18296 5450 1 13 . 1 1 71 71 SER N N 378 117.853 117.853 118.069 -0.216 18296 5451 1 13 . 1 1 71 71 SER HA H 378 4.493 4.493 4.895 -0.402 18296 5452 1 13 . 1 1 71 71 SER C C 378 180.063 180.063 171.991 8.072 18296 5453 1 13 . 1 1 71 71 SER CA C 378 57.276 57.276 57.644 -0.368 18296 5454 1 13 . 1 1 71 71 SER CB C 378 64.612 64.612 64.734 -0.122 18296 5455 1 13 . 1 1 71 71 SER H H 378 8.519 8.519 8.504 0.015 18296 5456 1 13 . 1 1 72 72 VAL N N 379 120.162 120.162 117.772 2.390 18296 5457 1 13 . 1 1 72 72 VAL HA H 379 4.441 4.441 4.518 -0.077 18296 5458 1 13 . 1 1 72 72 VAL C C 379 178.192 178.192 174.781 3.411 18296 5459 1 13 . 1 1 72 72 VAL CA C 379 61.369 61.369 61.146 0.223 18296 5460 1 13 . 1 1 72 72 VAL CB C 379 33.944 33.944 35.217 -1.272 18296 5461 1 13 . 1 1 72 72 VAL H H 379 8.277 8.277 8.314 -0.037 18296 5462 1 13 . 1 1 73 73 ARG N N 380 126.538 126.538 123.601 2.937 18296 5463 1 13 . 1 1 73 73 ARG HA H 380 4.430 4.430 4.693 -0.263 18296 5464 1 13 . 1 1 73 73 ARG C C 380 177.524 177.524 174.683 2.841 18296 5465 1 13 . 1 1 73 73 ARG CA C 380 54.744 54.744 55.164 -0.420 18296 5466 1 13 . 1 1 73 73 ARG CB C 380 32.635 32.635 33.864 -1.229 18296 5467 1 13 . 1 1 73 73 ARG H H 380 8.727 8.727 7.959 0.768 18296 5468 1 13 . 1 1 74 74 LYS N N 381 126.485 126.485 121.441 5.044 18296 5469 1 13 . 1 1 74 74 LYS HA H 381 4.613 4.613 4.802 -0.189 18296 5470 1 13 . 1 1 74 74 LYS C C 381 178.050 178.050 175.601 2.449 18296 5471 1 13 . 1 1 74 74 LYS CA C 381 56.325 56.325 55.407 0.917 18296 5472 1 13 . 1 1 74 74 LYS CB C 381 33.149 33.149 36.279 -3.130 18296 5473 1 13 . 1 1 74 74 LYS H H 381 8.636 8.636 8.421 0.215 18296 5474 1 13 . 1 1 75 75 THR N N 382 120.767 120.767 119.004 1.763 18296 5475 1 13 . 1 1 75 75 THR HA H 382 3.791 3.791 4.368 -0.577 18296 5476 1 13 . 1 1 75 75 THR C C 382 181.578 181.578 173.054 8.524 18296 5477 1 13 . 1 1 75 75 THR CA C 382 61.703 61.703 61.754 -0.051 18296 5478 1 13 . 1 1 75 75 THR CB C 382 70.771 70.771 69.129 1.642 18296 5479 1 13 . 1 1 75 75 THR H H 382 8.544 8.544 8.265 0.279 18296 5480 1 13 . 1 1 76 76 ALA N N 383 126.390 126.390 127.659 -1.269 18296 5481 1 13 . 1 1 76 76 ALA HA H 383 5.358 5.358 4.886 0.472 18296 5482 1 13 . 1 1 76 76 ALA C C 383 178.931 178.931 175.293 3.638 18296 5483 1 13 . 1 1 76 76 ALA CA C 383 50.669 50.669 50.556 0.113 18296 5484 1 13 . 1 1 76 76 ALA CB C 383 24.682 24.682 21.678 3.004 18296 5485 1 13 . 1 1 76 76 ALA H H 383 7.981 7.981 7.988 -0.007 18296 5486 1 13 . 1 1 77 77 TYR N N 384 116.182 116.182 116.809 -0.627 18296 5487 1 13 . 1 1 77 77 TYR HA H 384 5.920 5.920 4.911 1.009 18296 5488 1 13 . 1 1 77 77 TYR C C 384 177.384 177.384 175.848 1.536 18296 5489 1 13 . 1 1 77 77 TYR CA C 384 56.234 56.234 56.775 -0.541 18296 5490 1 13 . 1 1 77 77 TYR CB C 384 43.201 43.201 42.646 0.555 18296 5491 1 13 . 1 1 77 77 TYR H H 384 7.899 7.899 8.351 -0.452 18296 5492 1 13 . 1 1 78 78 CYS N N 385 121.146 121.146 118.418 2.728 18296 5493 1 13 . 1 1 78 78 CYS HA H 385 4.312 4.312 4.050 0.262 18296 5494 1 13 . 1 1 78 78 CYS C C 385 178.543 178.543 176.307 2.236 18296 5495 1 13 . 1 1 78 78 CYS CA C 385 58.293 58.293 58.503 -0.210 18296 5496 1 13 . 1 1 78 78 CYS CB C 385 29.815 29.815 28.923 0.892 18296 5497 1 13 . 1 1 78 78 CYS H H 385 9.855 9.855 8.699 1.156 18296 5498 1 13 . 1 1 79 79 ASP N N 386 115.334 115.334 121.129 -5.795 18296 5499 1 13 . 1 1 79 79 ASP HA H 386 3.946 3.946 4.415 -0.469 18296 5500 1 13 . 1 1 79 79 ASP C C 386 175.510 175.510 177.743 -2.233 18296 5501 1 13 . 1 1 79 79 ASP CA C 386 57.118 57.118 57.220 -0.102 18296 5502 1 13 . 1 1 79 79 ASP CB C 386 40.495 40.495 41.344 -0.849 18296 5503 1 13 . 1 1 79 79 ASP H H 386 7.657 7.657 8.262 -0.605 18296 5504 1 13 . 1 1 80 80 VAL N N 387 119.872 119.872 112.347 7.525 18296 5505 1 13 . 1 1 80 80 VAL HA H 387 3.579 3.579 4.040 -0.461 18296 5506 1 13 . 1 1 80 80 VAL C C 387 176.437 176.437 175.944 0.493 18296 5507 1 13 . 1 1 80 80 VAL CA C 387 64.272 64.272 63.303 0.969 18296 5508 1 13 . 1 1 80 80 VAL CB C 387 31.798 31.798 31.043 0.755 18296 5509 1 13 . 1 1 80 80 VAL H H 387 7.601 7.601 7.540 0.061 18296 5510 1 13 . 1 1 81 81 HIS N N 388 119.244 119.244 119.114 0.130 18296 5511 1 13 . 1 1 81 81 HIS HA H 388 4.632 4.632 4.573 0.059 18296 5512 1 13 . 1 1 81 81 HIS C C 388 180.644 180.644 176.257 4.387 18296 5513 1 13 . 1 1 81 81 HIS CA C 388 56.212 56.212 58.857 -2.645 18296 5514 1 13 . 1 1 81 81 HIS CB C 388 31.774 31.774 31.927 -0.153 18296 5515 1 13 . 1 1 81 81 HIS H H 388 7.385 7.385 7.711 -0.326 18296 5516 1 13 . 1 1 82 82 THR N N 389 117.899 117.899 115.143 2.756 18296 5517 1 13 . 1 1 82 82 THR HA H 389 3.733 3.733 4.367 -0.634 18296 5518 1 13 . 1 1 82 82 THR C C 389 181.155 181.155 174.497 6.658 18296 5519 1 13 . 1 1 82 82 THR CA C 389 61.844 61.844 64.408 -2.564 18296 5520 1 13 . 1 1 82 82 THR CB C 389 70.285 70.285 66.723 3.562 18296 5521 1 13 . 1 1 82 82 THR H H 389 7.133 7.133 7.669 -0.536 18296 5522 1 13 . 1 1 83 83 PRO HA H 390 4.192 4.192 4.370 -0.178 18296 5523 1 13 . 1 1 83 83 PRO CA C 390 61.509 61.509 64.211 -2.702 18296 5524 1 13 . 1 1 83 83 PRO CB C 390 30.773 30.773 30.341 0.432 18296 5525 1 13 . 1 1 84 84 PRO HA H 391 4.220 4.220 4.425 -0.205 18296 5526 1 13 . 1 1 84 84 PRO C C 391 175.949 175.949 177.294 -1.345 18296 5527 1 13 . 1 1 84 84 PRO CA C 391 63.032 63.032 62.283 0.749 18296 5528 1 13 . 1 1 84 84 PRO CB C 391 31.983 31.983 32.004 -0.021 18296 5529 1 13 . 1 1 85 85 GLY N N 392 109.626 109.626 107.927 1.699 18296 5530 1 13 . 1 1 85 85 GLY C C 392 179.223 179.223 173.729 5.494 18296 5531 1 13 . 1 1 85 85 GLY CA C 392 45.359 45.359 44.975 0.384 18296 5532 1 13 . 1 1 85 85 GLY H H 392 8.367 8.367 8.617 -0.250 18296 5533 1 13 . 1 1 86 86 SER N N 393 115.675 115.675 116.756 -1.081 18296 5534 1 13 . 1 1 86 86 SER HA H 393 4.354 4.354 4.815 -0.461 18296 5535 1 13 . 1 1 86 86 SER C C 393 179.569 179.569 173.814 5.755 18296 5536 1 13 . 1 1 86 86 SER CA C 393 58.521 58.521 57.387 1.134 18296 5537 1 13 . 1 1 86 86 SER CB C 393 63.913 63.913 65.257 -1.344 18296 5538 1 13 . 1 1 86 86 SER H H 393 8.022 8.022 7.667 0.355 18296 5539 1 14 . 1 1 10 10 ASN N N 317 120.101 120.101 120.629 -0.528 18296 5540 1 14 . 1 1 10 10 ASN HA H 317 4.501 4.501 4.954 -0.453 18296 5541 1 14 . 1 1 10 10 ASN C C 317 179.015 179.015 173.436 5.579 18296 5542 1 14 . 1 1 10 10 ASN CA C 317 53.191 53.191 52.625 0.566 18296 5543 1 14 . 1 1 10 10 ASN CB C 317 38.650 38.650 39.392 -0.742 18296 5544 1 14 . 1 1 10 10 ASN H H 317 8.415 8.415 8.767 -0.352 18296 5545 1 14 . 1 1 11 11 ILE N N 318 122.869 122.869 119.717 3.152 18296 5546 1 14 . 1 1 11 11 ILE HA H 318 4.250 4.250 4.380 -0.130 18296 5547 1 14 . 1 1 11 11 ILE C C 318 179.506 179.506 174.593 4.913 18296 5548 1 14 . 1 1 11 11 ILE CA C 318 58.332 58.332 60.243 -1.911 18296 5549 1 14 . 1 1 11 11 ILE CB C 318 38.713 38.713 37.845 0.868 18296 5550 1 14 . 1 1 11 11 ILE H H 318 7.924 7.924 8.267 -0.343 18296 5551 1 14 . 1 1 12 12 PRO HA H 319 4.359 4.359 4.408 -0.049 18296 5552 1 14 . 1 1 12 12 PRO CA C 319 61.487 61.487 64.415 -2.928 18296 5553 1 14 . 1 1 12 12 PRO CB C 319 30.960 30.960 30.257 0.703 18296 5554 1 14 . 1 1 13 13 PRO HA H 320 3.968 3.968 4.486 -0.518 18296 5555 1 14 . 1 1 13 13 PRO C C 320 176.730 176.730 175.487 1.243 18296 5556 1 14 . 1 1 13 13 PRO CA C 320 62.874 62.874 63.444 -0.570 18296 5557 1 14 . 1 1 13 13 PRO CB C 320 31.948 31.948 32.536 -0.588 18296 5558 1 14 . 1 1 14 14 ALA N N 321 123.469 123.469 124.081 -0.612 18296 5559 1 14 . 1 1 14 14 ALA HA H 321 3.952 3.952 4.027 -0.075 18296 5560 1 14 . 1 1 14 14 ALA C C 321 175.208 175.208 176.396 -1.188 18296 5561 1 14 . 1 1 14 14 ALA CA C 321 52.876 52.876 51.647 1.229 18296 5562 1 14 . 1 1 14 14 ALA CB C 321 18.896 18.896 19.499 -0.603 18296 5563 1 14 . 1 1 14 14 ALA H H 321 8.108 8.108 8.134 -0.026 18296 5564 1 14 . 1 1 15 15 ARG N N 322 118.725 118.725 120.981 -2.256 18296 5565 1 14 . 1 1 15 15 ARG HA H 322 3.943 3.943 4.276 -0.333 18296 5566 1 14 . 1 1 15 15 ARG C C 322 176.870 176.870 175.661 1.209 18296 5567 1 14 . 1 1 15 15 ARG CA C 322 56.737 56.737 56.233 0.504 18296 5568 1 14 . 1 1 15 15 ARG CB C 322 30.230 30.230 30.306 -0.076 18296 5569 1 14 . 1 1 15 15 ARG H H 322 8.077 8.077 8.223 -0.146 18296 5570 1 14 . 1 1 16 16 TRP N N 323 120.113 120.113 126.941 -6.828 18296 5571 1 14 . 1 1 16 16 TRP HA H 323 4.471 4.471 4.848 -0.377 18296 5572 1 14 . 1 1 16 16 TRP C C 323 177.322 177.322 175.730 1.592 18296 5573 1 14 . 1 1 16 16 TRP CA C 323 57.143 57.143 54.589 2.554 18296 5574 1 14 . 1 1 16 16 TRP CB C 323 29.192 29.192 28.282 0.909 18296 5575 1 14 . 1 1 16 16 TRP H H 323 7.634 7.634 8.571 -0.937 18296 5576 1 14 . 1 1 17 17 LYS N N 324 121.400 121.400 123.568 -2.168 18296 5577 1 14 . 1 1 17 17 LYS HA H 324 3.951 3.951 4.517 -0.566 18296 5578 1 14 . 1 1 17 17 LYS C C 324 179.457 179.457 176.357 3.100 18296 5579 1 14 . 1 1 17 17 LYS CA C 324 56.502 56.502 56.263 0.239 18296 5580 1 14 . 1 1 17 17 LYS CB C 324 32.867 32.867 32.755 0.112 18296 5581 1 14 . 1 1 17 17 LYS H H 324 7.735 7.735 8.404 -0.669 18296 5582 1 14 . 1 1 18 18 LEU N N 325 121.064 121.064 128.631 -7.567 18296 5583 1 14 . 1 1 18 18 LEU HA H 325 4.141 4.141 4.718 -0.577 18296 5584 1 14 . 1 1 18 18 LEU C C 325 176.781 176.781 176.153 0.628 18296 5585 1 14 . 1 1 18 18 LEU CA C 325 54.574 54.574 54.151 0.423 18296 5586 1 14 . 1 1 18 18 LEU CB C 325 42.252 42.252 42.390 -0.138 18296 5587 1 14 . 1 1 18 18 LEU H H 325 7.708 7.708 8.453 -0.745 18296 5588 1 14 . 1 1 19 19 THR N N 326 117.252 117.252 118.105 -0.853 18296 5589 1 14 . 1 1 19 19 THR HA H 326 3.935 3.935 4.394 -0.459 18296 5590 1 14 . 1 1 19 19 THR C C 326 180.854 180.854 173.657 7.197 18296 5591 1 14 . 1 1 19 19 THR CA C 326 61.977 61.977 61.807 0.170 18296 5592 1 14 . 1 1 19 19 THR CB C 326 70.166 70.166 69.908 0.258 18296 5593 1 14 . 1 1 19 19 THR H H 326 7.915 7.915 8.047 -0.132 18296 5594 1 14 . 1 1 20 20 CYS N N 327 127.254 127.254 124.211 3.043 18296 5595 1 14 . 1 1 20 20 CYS HA H 327 4.324 4.324 4.958 -0.634 18296 5596 1 14 . 1 1 20 20 CYS C C 327 175.898 175.898 176.039 -0.141 18296 5597 1 14 . 1 1 20 20 CYS CA C 327 57.928 57.928 57.198 0.730 18296 5598 1 14 . 1 1 20 20 CYS CB C 327 31.298 31.298 28.916 2.382 18296 5599 1 14 . 1 1 20 20 CYS H H 327 8.055 8.055 8.515 -0.460 18296 5600 1 14 . 1 1 21 21 TYR N N 328 129.752 129.752 121.172 8.580 18296 5601 1 14 . 1 1 21 21 TYR HA H 328 4.488 4.488 4.599 -0.111 18296 5602 1 14 . 1 1 21 21 TYR C C 328 178.625 178.625 176.761 1.864 18296 5603 1 14 . 1 1 21 21 TYR CA C 328 58.951 58.951 59.346 -0.395 18296 5604 1 14 . 1 1 21 21 TYR CB C 328 37.712 37.712 38.221 -0.509 18296 5605 1 14 . 1 1 21 21 TYR H H 328 9.082 9.082 8.136 0.946 18296 5606 1 14 . 1 1 22 22 LEU N N 329 124.057 124.057 118.782 5.275 18296 5607 1 14 . 1 1 22 22 LEU HA H 329 3.749 3.749 4.347 -0.598 18296 5608 1 14 . 1 1 22 22 LEU C C 329 176.268 176.268 177.190 -0.922 18296 5609 1 14 . 1 1 22 22 LEU CA C 329 56.514 56.514 54.971 1.542 18296 5610 1 14 . 1 1 22 22 LEU CB C 329 42.975 42.975 41.791 1.184 18296 5611 1 14 . 1 1 22 22 LEU H H 329 8.140 8.140 7.853 0.287 18296 5612 1 14 . 1 1 23 23 CYS N N 330 117.734 117.734 116.469 1.265 18296 5613 1 14 . 1 1 23 23 CYS HA H 330 4.741 4.741 4.866 -0.125 18296 5614 1 14 . 1 1 23 23 CYS C C 330 177.769 177.769 173.216 4.553 18296 5615 1 14 . 1 1 23 23 CYS CA C 330 58.459 58.459 57.398 1.061 18296 5616 1 14 . 1 1 23 23 CYS CB C 330 30.918 30.918 31.948 -1.030 18296 5617 1 14 . 1 1 23 23 CYS H H 330 7.971 7.971 7.160 0.811 18296 5618 1 14 . 1 1 24 24 LYS N N 331 118.437 118.437 116.806 1.631 18296 5619 1 14 . 1 1 24 24 LYS HA H 331 3.980 3.980 4.427 -0.447 18296 5620 1 14 . 1 1 24 24 LYS C C 331 178.178 178.178 175.103 3.075 18296 5621 1 14 . 1 1 24 24 LYS CA C 331 57.520 57.520 56.374 1.146 18296 5622 1 14 . 1 1 24 24 LYS CB C 331 29.278 29.278 32.468 -3.190 18296 5623 1 14 . 1 1 24 24 LYS H H 331 7.842 7.842 8.323 -0.481 18296 5624 1 14 . 1 1 25 25 GLN N N 332 118.445 118.445 120.852 -2.407 18296 5625 1 14 . 1 1 25 25 GLN HA H 332 4.574 4.574 4.507 0.067 18296 5626 1 14 . 1 1 25 25 GLN C C 332 177.619 177.619 174.770 2.849 18296 5627 1 14 . 1 1 25 25 GLN CA C 332 54.362 54.362 55.070 -0.708 18296 5628 1 14 . 1 1 25 25 GLN CB C 332 31.843 31.843 29.953 1.890 18296 5629 1 14 . 1 1 25 25 GLN H H 332 8.306 8.306 8.276 0.030 18296 5630 1 14 . 1 1 26 26 LYS N N 333 122.851 122.851 122.750 0.101 18296 5631 1 14 . 1 1 26 26 LYS HA H 333 4.222 4.222 4.194 0.028 18296 5632 1 14 . 1 1 26 26 LYS C C 333 175.456 175.456 176.748 -1.292 18296 5633 1 14 . 1 1 26 26 LYS CA C 333 57.729 57.729 56.629 1.101 18296 5634 1 14 . 1 1 26 26 LYS CB C 333 32.925 32.925 31.094 1.831 18296 5635 1 14 . 1 1 26 26 LYS H H 333 8.545 8.545 8.642 -0.097 18296 5636 1 14 . 1 1 27 27 GLY N N 334 107.216 107.216 113.281 -6.065 18296 5637 1 14 . 1 1 27 27 GLY C C 334 180.017 180.017 174.017 6.000 18296 5638 1 14 . 1 1 27 27 GLY CA C 334 45.559 45.559 44.948 0.611 18296 5639 1 14 . 1 1 27 27 GLY H H 334 8.348 8.348 8.558 -0.210 18296 5640 1 14 . 1 1 28 28 VAL N N 335 117.437 117.437 118.830 -1.393 18296 5641 1 14 . 1 1 28 28 VAL HA H 335 4.133 4.133 4.410 -0.277 18296 5642 1 14 . 1 1 28 28 VAL C C 335 177.439 177.439 176.285 1.154 18296 5643 1 14 . 1 1 28 28 VAL CA C 335 61.502 61.502 62.957 -1.455 18296 5644 1 14 . 1 1 28 28 VAL CB C 335 33.563 33.563 32.748 0.815 18296 5645 1 14 . 1 1 28 28 VAL H H 335 7.867 7.867 8.415 -0.548 18296 5646 1 14 . 1 1 29 29 GLY N N 336 110.723 110.723 108.399 2.324 18296 5647 1 14 . 1 1 29 29 GLY C C 336 180.088 180.088 173.552 6.536 18296 5648 1 14 . 1 1 29 29 GLY CA C 336 44.344 44.344 45.787 -1.443 18296 5649 1 14 . 1 1 29 29 GLY H H 336 8.186 8.186 8.594 -0.408 18296 5650 1 14 . 1 1 30 30 ALA N N 337 122.643 122.643 125.065 -2.422 18296 5651 1 14 . 1 1 30 30 ALA HA H 337 4.193 4.193 4.871 -0.678 18296 5652 1 14 . 1 1 30 30 ALA C C 337 175.274 175.274 175.931 -0.657 18296 5653 1 14 . 1 1 30 30 ALA CA C 337 52.904 52.904 51.669 1.235 18296 5654 1 14 . 1 1 30 30 ALA CB C 337 19.677 19.677 20.547 -0.870 18296 5655 1 14 . 1 1 30 30 ALA H H 337 8.269 8.269 8.084 0.185 18296 5656 1 14 . 1 1 31 31 SER N N 338 117.644 117.644 117.066 0.578 18296 5657 1 14 . 1 1 31 31 SER HA H 338 4.775 4.775 4.626 0.149 18296 5658 1 14 . 1 1 31 31 SER C C 338 180.923 180.923 172.971 7.952 18296 5659 1 14 . 1 1 31 31 SER CA C 338 57.406 57.406 57.631 -0.225 18296 5660 1 14 . 1 1 31 31 SER CB C 338 65.388 65.388 64.624 0.764 18296 5661 1 14 . 1 1 31 31 SER H H 338 8.415 8.415 8.421 -0.006 18296 5662 1 14 . 1 1 32 32 ILE N N 339 121.240 121.240 123.908 -2.668 18296 5663 1 14 . 1 1 32 32 ILE HA H 339 4.123 4.123 4.181 -0.058 18296 5664 1 14 . 1 1 32 32 ILE C C 339 181.302 181.302 173.728 7.574 18296 5665 1 14 . 1 1 32 32 ILE CA C 339 59.768 59.768 59.797 -0.029 18296 5666 1 14 . 1 1 32 32 ILE CB C 339 41.252 41.252 40.391 0.861 18296 5667 1 14 . 1 1 32 32 ILE H H 339 8.522 8.522 8.723 -0.201 18296 5668 1 14 . 1 1 33 33 GLN N N 340 120.384 120.384 125.196 -4.812 18296 5669 1 14 . 1 1 33 33 GLN HA H 340 4.335 4.335 4.803 -0.468 18296 5670 1 14 . 1 1 33 33 GLN C C 340 179.377 179.377 174.843 4.534 18296 5671 1 14 . 1 1 33 33 GLN CA C 340 53.739 53.739 54.338 -0.599 18296 5672 1 14 . 1 1 33 33 GLN CB C 340 32.179 32.179 31.490 0.689 18296 5673 1 14 . 1 1 33 33 GLN H H 340 7.720 7.720 8.058 -0.338 18296 5674 1 14 . 1 1 34 34 CYS N N 341 125.463 125.463 126.670 -1.207 18296 5675 1 14 . 1 1 34 34 CYS HA H 341 4.036 4.036 4.696 -0.660 18296 5676 1 14 . 1 1 34 34 CYS C C 341 178.269 178.269 176.314 1.955 18296 5677 1 14 . 1 1 34 34 CYS CA C 341 60.992 60.992 59.136 1.856 18296 5678 1 14 . 1 1 34 34 CYS CB C 341 32.346 32.346 28.030 4.316 18296 5679 1 14 . 1 1 34 34 CYS H H 341 8.292 8.292 8.768 -0.476 18296 5680 1 14 . 1 1 35 35 HIS N N 342 126.611 126.611 128.560 -1.949 18296 5681 1 14 . 1 1 35 35 HIS HA H 342 4.128 4.128 4.286 -0.158 18296 5682 1 14 . 1 1 35 35 HIS CA C 342 57.556 57.556 57.601 -0.045 18296 5683 1 14 . 1 1 35 35 HIS CB C 342 29.945 29.945 31.079 -1.135 18296 5684 1 14 . 1 1 35 35 HIS H H 342 8.722 8.722 8.315 0.407 18296 5685 1 14 . 1 1 36 36 LYS N N 343 124.049 124.049 117.081 6.968 18296 5686 1 14 . 1 1 36 36 LYS HA H 343 3.940 3.940 3.892 0.048 18296 5687 1 14 . 1 1 36 36 LYS C C 343 176.701 176.701 176.222 0.479 18296 5688 1 14 . 1 1 36 36 LYS CA C 343 56.155 56.155 56.018 0.137 18296 5689 1 14 . 1 1 36 36 LYS CB C 343 33.033 33.033 32.890 0.143 18296 5690 1 14 . 1 1 36 36 LYS H H 343 8.567 8.567 7.968 0.599 18296 5691 1 14 . 1 1 37 37 ALA N N 344 130.751 130.751 129.042 1.709 18296 5692 1 14 . 1 1 37 37 ALA HA H 344 3.733 3.733 4.064 -0.331 18296 5693 1 14 . 1 1 37 37 ALA C C 344 175.302 175.302 177.912 -2.610 18296 5694 1 14 . 1 1 37 37 ALA CA C 344 53.917 53.917 54.013 -0.096 18296 5695 1 14 . 1 1 37 37 ALA CB C 344 18.206 18.206 18.662 -0.456 18296 5696 1 14 . 1 1 37 37 ALA H H 344 8.363 8.363 8.619 -0.256 18296 5697 1 14 . 1 1 38 38 ASN N N 345 114.094 114.094 117.093 -2.999 18296 5698 1 14 . 1 1 38 38 ASN HA H 345 3.885 3.885 4.575 -0.690 18296 5699 1 14 . 1 1 38 38 ASN C C 345 181.195 181.195 176.627 4.568 18296 5700 1 14 . 1 1 38 38 ASN CA C 345 53.606 53.606 55.303 -1.697 18296 5701 1 14 . 1 1 38 38 ASN CB C 345 37.443 37.443 38.539 -1.096 18296 5702 1 14 . 1 1 38 38 ASN H H 345 8.292 8.292 8.591 -0.299 18296 5703 1 14 . 1 1 39 39 CYS N N 346 121.417 121.417 117.764 3.653 18296 5704 1 14 . 1 1 39 39 CYS C C 346 178.723 178.723 175.309 3.414 18296 5705 1 14 . 1 1 39 39 CYS H H 346 7.283 7.283 7.855 -0.572 18296 5706 1 14 . 1 1 40 40 TYR HA H 347 4.212 4.212 4.229 -0.017 18296 5707 1 14 . 1 1 40 40 TYR C C 347 178.156 178.156 174.341 3.815 18296 5708 1 14 . 1 1 40 40 TYR CA C 347 56.478 56.478 59.274 -2.796 18296 5709 1 14 . 1 1 40 40 TYR CB C 347 37.446 37.446 35.952 1.494 18296 5710 1 14 . 1 1 40 40 TYR H H 347 7.923 7.923 8.141 -0.218 18296 5711 1 14 . 1 1 41 41 THR N N 348 122.674 122.674 116.732 5.942 18296 5712 1 14 . 1 1 41 41 THR HA H 348 3.806 3.806 4.767 -0.961 18296 5713 1 14 . 1 1 41 41 THR C C 348 182.343 182.343 172.994 9.349 18296 5714 1 14 . 1 1 41 41 THR CA C 348 64.932 64.932 61.934 2.998 18296 5715 1 14 . 1 1 41 41 THR CB C 348 68.772 68.772 71.119 -2.347 18296 5716 1 14 . 1 1 41 41 THR H H 348 8.421 8.421 7.707 0.714 18296 5717 1 14 . 1 1 42 42 ALA N N 349 130.177 130.177 127.203 2.974 18296 5718 1 14 . 1 1 42 42 ALA HA H 349 4.967 4.967 5.299 -0.332 18296 5719 1 14 . 1 1 42 42 ALA C C 349 176.955 176.955 175.931 1.024 18296 5720 1 14 . 1 1 42 42 ALA CA C 349 49.997 49.997 50.676 -0.679 18296 5721 1 14 . 1 1 42 42 ALA CB C 349 23.467 23.467 21.799 1.668 18296 5722 1 14 . 1 1 42 42 ALA H H 349 8.856 8.856 8.892 -0.036 18296 5723 1 14 . 1 1 43 43 PHE N N 350 113.053 113.053 118.850 -5.797 18296 5724 1 14 . 1 1 43 43 PHE HA H 350 5.525 5.525 4.692 0.833 18296 5725 1 14 . 1 1 43 43 PHE C C 350 177.894 177.894 173.444 4.450 18296 5726 1 14 . 1 1 43 43 PHE CA C 350 53.625 53.625 56.316 -2.692 18296 5727 1 14 . 1 1 43 43 PHE CB C 350 39.459 39.459 40.782 -1.323 18296 5728 1 14 . 1 1 43 43 PHE H H 350 7.912 7.912 8.926 -1.014 18296 5729 1 14 . 1 1 44 44 HIS N N 351 118.497 118.497 119.250 -0.753 18296 5730 1 14 . 1 1 44 44 HIS HA H 351 4.892 4.892 4.783 0.109 18296 5731 1 14 . 1 1 44 44 HIS C C 351 176.371 176.371 177.076 -0.705 18296 5732 1 14 . 1 1 44 44 HIS CA C 351 58.019 58.019 56.575 1.444 18296 5733 1 14 . 1 1 44 44 HIS CB C 351 31.716 31.716 30.177 1.539 18296 5734 1 14 . 1 1 44 44 HIS H H 351 9.335 9.335 8.445 0.890 18296 5735 1 14 . 1 1 45 45 VAL N N 352 124.407 124.407 121.812 2.595 18296 5736 1 14 . 1 1 45 45 VAL HA H 352 3.476 3.476 3.777 -0.301 18296 5737 1 14 . 1 1 45 45 VAL C C 352 175.305 175.305 177.773 -2.468 18296 5738 1 14 . 1 1 45 45 VAL CA C 352 67.359 67.359 66.825 0.534 18296 5739 1 14 . 1 1 45 45 VAL CB C 352 31.627 31.627 31.290 0.337 18296 5740 1 14 . 1 1 45 45 VAL H H 352 8.654 8.654 8.501 0.153 18296 5741 1 14 . 1 1 46 46 THR N N 353 111.166 111.166 115.836 -4.670 18296 5742 1 14 . 1 1 46 46 THR HA H 353 3.997 3.997 4.407 -0.410 18296 5743 1 14 . 1 1 46 46 THR C C 353 175.010 175.010 176.769 -1.759 18296 5744 1 14 . 1 1 46 46 THR CA C 353 65.008 65.008 65.433 -0.425 18296 5745 1 14 . 1 1 46 46 THR CB C 353 67.830 67.830 68.388 -0.558 18296 5746 1 14 . 1 1 46 46 THR H H 353 8.370 8.370 8.340 0.030 18296 5747 1 14 . 1 1 47 47 CYS N N 354 120.975 120.975 119.434 1.541 18296 5748 1 14 . 1 1 47 47 CYS HA H 354 3.762 3.762 4.327 -0.565 18296 5749 1 14 . 1 1 47 47 CYS C C 354 175.912 175.912 177.011 -1.099 18296 5750 1 14 . 1 1 47 47 CYS CA C 354 63.372 63.372 62.502 0.870 18296 5751 1 14 . 1 1 47 47 CYS CB C 354 29.076 29.076 26.109 2.967 18296 5752 1 14 . 1 1 47 47 CYS H H 354 6.668 6.668 8.524 -1.856 18296 5753 1 14 . 1 1 48 48 ALA N N 355 123.247 123.247 122.881 0.366 18296 5754 1 14 . 1 1 48 48 ALA HA H 355 3.511 3.511 4.071 -0.560 18296 5755 1 14 . 1 1 48 48 ALA C C 355 174.031 174.031 179.516 -5.485 18296 5756 1 14 . 1 1 48 48 ALA CA C 355 55.045 55.045 55.090 -0.045 18296 5757 1 14 . 1 1 48 48 ALA CB C 355 19.962 19.962 18.774 1.188 18296 5758 1 14 . 1 1 48 48 ALA H H 355 8.481 8.481 7.923 0.558 18296 5759 1 14 . 1 1 49 49 GLN N N 356 118.150 118.150 117.721 0.429 18296 5760 1 14 . 1 1 49 49 GLN HA H 356 4.003 4.003 4.005 -0.002 18296 5761 1 14 . 1 1 49 49 GLN C C 356 173.755 173.755 178.587 -4.832 18296 5762 1 14 . 1 1 49 49 GLN CA C 356 58.728 58.728 58.665 0.063 18296 5763 1 14 . 1 1 49 49 GLN CB C 356 28.196 28.196 28.765 -0.569 18296 5764 1 14 . 1 1 49 49 GLN H H 356 8.055 8.055 8.002 0.053 18296 5765 1 14 . 1 1 50 50 LYS N N 357 120.248 120.248 118.189 2.059 18296 5766 1 14 . 1 1 50 50 LYS HA H 357 3.866 3.866 4.223 -0.357 18296 5767 1 14 . 1 1 50 50 LYS C C 357 175.624 175.624 178.103 -2.479 18296 5768 1 14 . 1 1 50 50 LYS CA C 357 58.989 58.989 57.406 1.583 18296 5769 1 14 . 1 1 50 50 LYS CB C 357 32.377 32.377 32.396 -0.019 18296 5770 1 14 . 1 1 50 50 LYS H H 357 7.628 7.628 7.963 -0.335 18296 5771 1 14 . 1 1 51 51 ALA N N 358 118.343 118.343 119.530 -1.187 18296 5772 1 14 . 1 1 51 51 ALA HA H 358 4.138 4.138 4.251 -0.113 18296 5773 1 14 . 1 1 51 51 ALA C C 358 176.132 176.132 178.164 -2.032 18296 5774 1 14 . 1 1 51 51 ALA CA C 358 52.263 52.263 52.837 -0.574 18296 5775 1 14 . 1 1 51 51 ALA CB C 358 19.690 19.690 19.303 0.387 18296 5776 1 14 . 1 1 51 51 ALA H H 358 7.558 7.558 7.508 0.050 18296 5777 1 14 . 1 1 52 52 GLY N N 359 107.058 107.058 108.094 -1.036 18296 5778 1 14 . 1 1 52 52 GLY C C 359 178.221 178.221 174.630 3.591 18296 5779 1 14 . 1 1 52 52 GLY CA C 359 46.323 46.323 45.555 0.768 18296 5780 1 14 . 1 1 52 52 GLY H H 359 7.481 7.481 7.917 -0.436 18296 5781 1 14 . 1 1 53 53 LEU N N 360 118.335 118.335 117.596 0.739 18296 5782 1 14 . 1 1 53 53 LEU HA H 360 4.002 4.002 4.868 -0.866 18296 5783 1 14 . 1 1 53 53 LEU C C 360 176.917 176.917 176.512 0.405 18296 5784 1 14 . 1 1 53 53 LEU CA C 360 54.926 54.926 52.934 1.992 18296 5785 1 14 . 1 1 53 53 LEU CB C 360 39.949 39.949 43.654 -3.705 18296 5786 1 14 . 1 1 53 53 LEU H H 360 7.502 7.502 7.314 0.188 18296 5787 1 14 . 1 1 54 54 TYR N N 361 124.191 124.191 121.113 3.078 18296 5788 1 14 . 1 1 54 54 TYR HA H 361 4.024 4.024 4.398 -0.374 18296 5789 1 14 . 1 1 54 54 TYR C C 361 178.584 178.584 175.120 3.464 18296 5790 1 14 . 1 1 54 54 TYR CA C 361 59.385 59.385 59.165 0.220 18296 5791 1 14 . 1 1 54 54 TYR CB C 361 39.068 39.068 39.874 -0.806 18296 5792 1 14 . 1 1 54 54 TYR H H 361 9.307 9.307 8.678 0.629 18296 5793 1 14 . 1 1 55 55 MET N N 362 127.473 127.473 127.652 -0.179 18296 5794 1 14 . 1 1 55 55 MET HA H 362 4.953 4.953 4.589 0.364 18296 5795 1 14 . 1 1 55 55 MET C C 362 179.342 179.342 174.394 4.948 18296 5796 1 14 . 1 1 55 55 MET CA C 362 54.918 54.918 54.131 0.787 18296 5797 1 14 . 1 1 55 55 MET CB C 362 35.857 35.857 35.052 0.805 18296 5798 1 14 . 1 1 55 55 MET H H 362 7.575 7.575 7.960 -0.385 18296 5799 1 14 . 1 1 56 56 LYS N N 363 124.429 124.429 125.333 -0.904 18296 5800 1 14 . 1 1 56 56 LYS HA H 363 4.339 4.339 4.485 -0.146 18296 5801 1 14 . 1 1 56 56 LYS C C 363 178.541 178.541 175.174 3.367 18296 5802 1 14 . 1 1 56 56 LYS CA C 363 54.939 54.939 55.264 -0.325 18296 5803 1 14 . 1 1 56 56 LYS CB C 363 35.977 35.977 34.983 0.994 18296 5804 1 14 . 1 1 56 56 LYS H H 363 8.575 8.575 8.287 0.288 18296 5805 1 14 . 1 1 57 57 MET N N 364 123.350 123.350 120.770 2.580 18296 5806 1 14 . 1 1 57 57 MET HA H 364 4.801 4.801 4.619 0.182 18296 5807 1 14 . 1 1 57 57 MET C C 364 178.016 178.016 174.765 3.251 18296 5808 1 14 . 1 1 57 57 MET CA C 364 54.111 54.111 55.092 -0.981 18296 5809 1 14 . 1 1 57 57 MET H H 364 8.484 8.484 8.477 0.007 18296 5810 1 14 . 1 1 58 58 GLU N N 365 121.319 121.319 122.880 -1.561 18296 5811 1 14 . 1 1 58 58 GLU H H 365 8.193 8.193 9.140 -0.947 18296 5812 1 14 . 1 1 59 59 PRO HA H 366 4.665 4.665 4.283 0.382 18296 5813 1 14 . 1 1 59 59 PRO C C 366 176.742 176.742 176.076 0.666 18296 5814 1 14 . 1 1 59 59 PRO CA C 366 62.524 62.524 62.313 0.210 18296 5815 1 14 . 1 1 59 59 PRO CB C 366 32.125 32.125 32.190 -0.065 18296 5816 1 14 . 1 1 60 60 VAL N N 367 122.754 122.754 115.629 7.125 18296 5817 1 14 . 1 1 60 60 VAL HA H 367 4.105 4.105 4.437 -0.332 18296 5818 1 14 . 1 1 60 60 VAL C C 367 178.435 178.435 174.506 3.929 18296 5819 1 14 . 1 1 60 60 VAL CA C 367 61.529 61.529 60.866 0.663 18296 5820 1 14 . 1 1 60 60 VAL CB C 367 34.057 34.057 33.981 0.076 18296 5821 1 14 . 1 1 60 60 VAL H H 367 8.509 8.509 8.639 -0.130 18296 5822 1 14 . 1 1 61 61 LYS N N 368 126.381 126.381 126.492 -0.111 18296 5823 1 14 . 1 1 61 61 LYS HA H 368 4.180 4.180 4.918 -0.738 18296 5824 1 14 . 1 1 61 61 LYS C C 368 177.499 177.499 176.568 0.931 18296 5825 1 14 . 1 1 61 61 LYS CA C 368 56.047 56.047 55.394 0.653 18296 5826 1 14 . 1 1 61 61 LYS CB C 368 33.313 33.313 34.396 -1.083 18296 5827 1 14 . 1 1 61 61 LYS H H 368 8.379 8.379 8.328 0.051 18296 5828 1 14 . 1 1 62 62 GLU N N 369 123.927 123.927 115.382 8.545 18296 5829 1 14 . 1 1 62 62 GLU HA H 369 4.246 4.246 4.025 0.221 18296 5830 1 14 . 1 1 62 62 GLU C C 369 177.861 177.861 175.975 1.886 18296 5831 1 14 . 1 1 62 62 GLU CA C 369 55.596 55.596 57.189 -1.593 18296 5832 1 14 . 1 1 62 62 GLU CB C 369 31.289 31.289 29.590 1.699 18296 5833 1 14 . 1 1 62 62 GLU H H 369 8.355 8.355 8.548 -0.193 18296 5834 1 14 . 1 1 63 63 LEU N N 370 124.406 124.406 115.829 8.577 18296 5835 1 14 . 1 1 63 63 LEU HA H 370 4.356 4.356 4.962 -0.606 18296 5836 1 14 . 1 1 63 63 LEU C C 370 176.026 176.026 177.410 -1.384 18296 5837 1 14 . 1 1 63 63 LEU CA C 370 55.223 55.223 55.216 0.007 18296 5838 1 14 . 1 1 63 63 LEU CB C 370 42.061 42.061 41.733 0.328 18296 5839 1 14 . 1 1 63 63 LEU H H 370 8.419 8.419 8.618 -0.199 18296 5840 1 14 . 1 1 64 64 THR N N 371 114.722 114.722 113.342 1.380 18296 5841 1 14 . 1 1 64 64 THR HA H 371 4.306 4.306 4.491 -0.185 18296 5842 1 14 . 1 1 64 64 THR C C 371 178.158 178.158 174.650 3.508 18296 5843 1 14 . 1 1 64 64 THR CA C 371 61.196 61.196 61.792 -0.596 18296 5844 1 14 . 1 1 64 64 THR CB C 371 70.416 70.416 68.568 1.848 18296 5845 1 14 . 1 1 64 64 THR H H 371 7.966 7.966 7.691 0.275 18296 5846 1 14 . 1 1 65 65 GLY N N 372 111.711 111.711 108.978 2.733 18296 5847 1 14 . 1 1 65 65 GLY C C 372 178.512 178.512 173.686 4.826 18296 5848 1 14 . 1 1 65 65 GLY CA C 372 46.227 46.227 45.579 0.648 18296 5849 1 14 . 1 1 65 65 GLY H H 372 8.565 8.565 8.040 0.525 18296 5850 1 14 . 1 1 66 66 GLY N N 373 108.771 108.771 107.679 1.092 18296 5851 1 14 . 1 1 66 66 GLY C C 373 178.999 178.999 172.944 6.055 18296 5852 1 14 . 1 1 66 66 GLY CA C 373 45.287 45.287 45.634 -0.347 18296 5853 1 14 . 1 1 66 66 GLY H H 373 8.227 8.227 7.670 0.557 18296 5854 1 14 . 1 1 67 67 GLY N N 374 108.901 108.901 110.556 -1.655 18296 5855 1 14 . 1 1 67 67 GLY C C 374 179.721 179.721 172.681 7.040 18296 5856 1 14 . 1 1 67 67 GLY CA C 374 44.987 44.987 46.299 -1.312 18296 5857 1 14 . 1 1 67 67 GLY H H 374 7.876 7.876 7.929 -0.053 18296 5858 1 14 . 1 1 68 68 THR N N 375 114.505 114.505 115.810 -1.305 18296 5859 1 14 . 1 1 68 68 THR HA H 375 4.450 4.450 4.883 -0.433 18296 5860 1 14 . 1 1 68 68 THR C C 375 178.997 178.997 174.679 4.318 18296 5861 1 14 . 1 1 68 68 THR CA C 375 61.900 61.900 60.840 1.060 18296 5862 1 14 . 1 1 68 68 THR CB C 375 70.047 70.047 69.727 0.320 18296 5863 1 14 . 1 1 68 68 THR H H 375 8.112 8.112 7.827 0.285 18296 5864 1 14 . 1 1 69 69 THR N N 376 118.054 118.054 117.124 0.930 18296 5865 1 14 . 1 1 69 69 THR HA H 376 4.302 4.302 3.857 0.445 18296 5866 1 14 . 1 1 69 69 THR C C 376 180.403 180.403 173.630 6.773 18296 5867 1 14 . 1 1 69 69 THR CA C 376 61.114 61.114 65.552 -4.438 18296 5868 1 14 . 1 1 69 69 THR CB C 376 70.422 70.422 67.492 2.930 18296 5869 1 14 . 1 1 69 69 THR H H 376 8.259 8.259 8.748 -0.489 18296 5870 1 14 . 1 1 70 70 PHE N N 377 122.009 122.009 124.933 -2.924 18296 5871 1 14 . 1 1 70 70 PHE HA H 377 4.910 4.910 4.742 0.168 18296 5872 1 14 . 1 1 70 70 PHE C C 377 177.972 177.972 174.346 3.626 18296 5873 1 14 . 1 1 70 70 PHE CA C 377 57.227 57.227 57.257 -0.030 18296 5874 1 14 . 1 1 70 70 PHE CB C 377 40.873 40.873 40.568 0.305 18296 5875 1 14 . 1 1 70 70 PHE H H 377 8.351 8.351 8.180 0.171 18296 5876 1 14 . 1 1 71 71 SER N N 378 117.853 117.853 120.446 -2.593 18296 5877 1 14 . 1 1 71 71 SER HA H 378 4.493 4.493 4.785 -0.292 18296 5878 1 14 . 1 1 71 71 SER C C 378 180.063 180.063 172.214 7.849 18296 5879 1 14 . 1 1 71 71 SER CA C 378 57.276 57.276 57.054 0.222 18296 5880 1 14 . 1 1 71 71 SER CB C 378 64.612 64.612 66.691 -2.079 18296 5881 1 14 . 1 1 71 71 SER H H 378 8.519 8.519 8.148 0.371 18296 5882 1 14 . 1 1 72 72 VAL N N 379 120.162 120.162 119.960 0.202 18296 5883 1 14 . 1 1 72 72 VAL HA H 379 4.441 4.441 4.154 0.287 18296 5884 1 14 . 1 1 72 72 VAL C C 379 178.192 178.192 174.519 3.673 18296 5885 1 14 . 1 1 72 72 VAL CA C 379 61.369 61.369 61.540 -0.171 18296 5886 1 14 . 1 1 72 72 VAL CB C 379 33.944 33.944 34.669 -0.724 18296 5887 1 14 . 1 1 72 72 VAL H H 379 8.277 8.277 8.226 0.051 18296 5888 1 14 . 1 1 73 73 ARG N N 380 126.538 126.538 124.905 1.633 18296 5889 1 14 . 1 1 73 73 ARG HA H 380 4.430 4.430 4.637 -0.207 18296 5890 1 14 . 1 1 73 73 ARG C C 380 177.524 177.524 174.295 3.229 18296 5891 1 14 . 1 1 73 73 ARG CA C 380 54.744 54.744 54.532 0.211 18296 5892 1 14 . 1 1 73 73 ARG CB C 380 32.635 32.635 33.511 -0.876 18296 5893 1 14 . 1 1 73 73 ARG H H 380 8.727 8.727 8.194 0.533 18296 5894 1 14 . 1 1 74 74 LYS N N 381 126.485 126.485 125.804 0.681 18296 5895 1 14 . 1 1 74 74 LYS HA H 381 4.613 4.613 4.581 0.032 18296 5896 1 14 . 1 1 74 74 LYS C C 381 178.050 178.050 175.686 2.364 18296 5897 1 14 . 1 1 74 74 LYS CA C 381 56.325 56.325 55.322 1.003 18296 5898 1 14 . 1 1 74 74 LYS CB C 381 33.149 33.149 35.078 -1.929 18296 5899 1 14 . 1 1 74 74 LYS H H 381 8.636 8.636 8.564 0.072 18296 5900 1 14 . 1 1 75 75 THR N N 382 120.767 120.767 121.178 -0.411 18296 5901 1 14 . 1 1 75 75 THR HA H 382 3.791 3.791 4.200 -0.409 18296 5902 1 14 . 1 1 75 75 THR C C 382 181.578 181.578 172.308 9.270 18296 5903 1 14 . 1 1 75 75 THR CA C 382 61.703 61.703 61.617 0.086 18296 5904 1 14 . 1 1 75 75 THR CB C 382 70.771 70.771 69.307 1.464 18296 5905 1 14 . 1 1 75 75 THR H H 382 8.544 8.544 8.143 0.401 18296 5906 1 14 . 1 1 76 76 ALA N N 383 126.390 126.390 128.764 -2.374 18296 5907 1 14 . 1 1 76 76 ALA HA H 383 5.358 5.358 4.634 0.724 18296 5908 1 14 . 1 1 76 76 ALA C C 383 178.931 178.931 175.583 3.348 18296 5909 1 14 . 1 1 76 76 ALA CA C 383 50.669 50.669 50.437 0.232 18296 5910 1 14 . 1 1 76 76 ALA CB C 383 24.682 24.682 21.516 3.166 18296 5911 1 14 . 1 1 76 76 ALA H H 383 7.981 7.981 8.147 -0.166 18296 5912 1 14 . 1 1 77 77 TYR N N 384 116.182 116.182 119.320 -3.138 18296 5913 1 14 . 1 1 77 77 TYR HA H 384 5.920 5.920 4.828 1.092 18296 5914 1 14 . 1 1 77 77 TYR C C 384 177.384 177.384 176.534 0.850 18296 5915 1 14 . 1 1 77 77 TYR CA C 384 56.234 56.234 56.785 -0.551 18296 5916 1 14 . 1 1 77 77 TYR CB C 384 43.201 43.201 41.142 2.059 18296 5917 1 14 . 1 1 77 77 TYR H H 384 7.899 7.899 7.895 0.004 18296 5918 1 14 . 1 1 78 78 CYS N N 385 121.146 121.146 117.606 3.540 18296 5919 1 14 . 1 1 78 78 CYS HA H 385 4.312 4.312 4.133 0.179 18296 5920 1 14 . 1 1 78 78 CYS C C 385 178.543 178.543 176.845 1.698 18296 5921 1 14 . 1 1 78 78 CYS CA C 385 58.293 58.293 57.697 0.596 18296 5922 1 14 . 1 1 78 78 CYS CB C 385 29.815 29.815 29.556 0.259 18296 5923 1 14 . 1 1 78 78 CYS H H 385 9.855 9.855 8.517 1.338 18296 5924 1 14 . 1 1 79 79 ASP N N 386 115.334 115.334 121.195 -5.861 18296 5925 1 14 . 1 1 79 79 ASP HA H 386 3.946 3.946 4.318 -0.372 18296 5926 1 14 . 1 1 79 79 ASP C C 386 175.510 175.510 177.588 -2.078 18296 5927 1 14 . 1 1 79 79 ASP CA C 386 57.118 57.118 56.574 0.544 18296 5928 1 14 . 1 1 79 79 ASP CB C 386 40.495 40.495 40.282 0.213 18296 5929 1 14 . 1 1 79 79 ASP H H 386 7.657 7.657 8.126 -0.469 18296 5930 1 14 . 1 1 80 80 VAL N N 387 119.872 119.872 114.197 5.675 18296 5931 1 14 . 1 1 80 80 VAL HA H 387 3.579 3.579 4.109 -0.530 18296 5932 1 14 . 1 1 80 80 VAL C C 387 176.437 176.437 175.609 0.828 18296 5933 1 14 . 1 1 80 80 VAL CA C 387 64.272 64.272 62.030 2.242 18296 5934 1 14 . 1 1 80 80 VAL CB C 387 31.798 31.798 30.510 1.288 18296 5935 1 14 . 1 1 80 80 VAL H H 387 7.601 7.601 7.397 0.204 18296 5936 1 14 . 1 1 81 81 HIS N N 388 119.244 119.244 118.647 0.597 18296 5937 1 14 . 1 1 81 81 HIS HA H 388 4.632 4.632 4.580 0.052 18296 5938 1 14 . 1 1 81 81 HIS C C 388 180.644 180.644 176.327 4.317 18296 5939 1 14 . 1 1 81 81 HIS CA C 388 56.212 56.212 57.844 -1.633 18296 5940 1 14 . 1 1 81 81 HIS CB C 388 31.774 31.774 31.907 -0.133 18296 5941 1 14 . 1 1 81 81 HIS H H 388 7.385 7.385 7.576 -0.191 18296 5942 1 14 . 1 1 82 82 THR N N 389 117.899 117.899 115.749 2.150 18296 5943 1 14 . 1 1 82 82 THR HA H 389 3.733 3.733 4.470 -0.737 18296 5944 1 14 . 1 1 82 82 THR C C 389 181.155 181.155 174.016 7.139 18296 5945 1 14 . 1 1 82 82 THR CA C 389 61.844 61.844 64.495 -2.651 18296 5946 1 14 . 1 1 82 82 THR CB C 389 70.285 70.285 67.934 2.351 18296 5947 1 14 . 1 1 82 82 THR H H 389 7.133 7.133 7.632 -0.499 18296 5948 1 14 . 1 1 83 83 PRO HA H 390 4.192 4.192 4.333 -0.141 18296 5949 1 14 . 1 1 83 83 PRO CA C 390 61.509 61.509 64.119 -2.610 18296 5950 1 14 . 1 1 83 83 PRO CB C 390 30.773 30.773 30.243 0.530 18296 5951 1 14 . 1 1 84 84 PRO HA H 391 4.220 4.220 4.217 0.003 18296 5952 1 14 . 1 1 84 84 PRO C C 391 175.949 175.949 177.140 -1.191 18296 5953 1 14 . 1 1 84 84 PRO CA C 391 63.032 63.032 63.645 -0.613 18296 5954 1 14 . 1 1 84 84 PRO CB C 391 31.983 31.983 31.826 0.157 18296 5955 1 14 . 1 1 85 85 GLY N N 392 109.626 109.626 110.645 -1.019 18296 5956 1 14 . 1 1 85 85 GLY C C 392 179.223 179.223 173.533 5.690 18296 5957 1 14 . 1 1 85 85 GLY CA C 392 45.359 45.359 44.473 0.886 18296 5958 1 14 . 1 1 85 85 GLY H H 392 8.367 8.367 8.402 -0.035 18296 5959 1 14 . 1 1 86 86 SER N N 393 115.675 115.675 116.282 -0.607 18296 5960 1 14 . 1 1 86 86 SER HA H 393 4.354 4.354 4.635 -0.281 18296 5961 1 14 . 1 1 86 86 SER C C 393 179.569 179.569 173.889 5.680 18296 5962 1 14 . 1 1 86 86 SER CA C 393 58.521 58.521 57.737 0.784 18296 5963 1 14 . 1 1 86 86 SER CB C 393 63.913 63.913 64.008 -0.095 18296 5964 1 14 . 1 1 86 86 SER H H 393 8.022 8.022 8.133 -0.111 18296 5965 1 15 . 1 1 10 10 ASN N N 317 120.101 120.101 120.710 -0.609 18296 5966 1 15 . 1 1 10 10 ASN HA H 317 4.501 4.501 4.843 -0.342 18296 5967 1 15 . 1 1 10 10 ASN C C 317 179.015 179.015 174.493 4.522 18296 5968 1 15 . 1 1 10 10 ASN CA C 317 53.191 53.191 52.924 0.267 18296 5969 1 15 . 1 1 10 10 ASN CB C 317 38.650 38.650 38.101 0.549 18296 5970 1 15 . 1 1 10 10 ASN H H 317 8.415 8.415 8.622 -0.207 18296 5971 1 15 . 1 1 11 11 ILE N N 318 122.869 122.869 115.487 7.382 18296 5972 1 15 . 1 1 11 11 ILE HA H 318 4.250 4.250 4.660 -0.410 18296 5973 1 15 . 1 1 11 11 ILE C C 318 179.506 179.506 174.900 4.606 18296 5974 1 15 . 1 1 11 11 ILE CA C 318 58.332 58.332 58.323 0.009 18296 5975 1 15 . 1 1 11 11 ILE CB C 318 38.713 38.713 38.578 0.135 18296 5976 1 15 . 1 1 11 11 ILE H H 318 7.924 7.924 7.641 0.283 18296 5977 1 15 . 1 1 12 12 PRO HA H 319 4.359 4.359 4.358 0.001 18296 5978 1 15 . 1 1 12 12 PRO CA C 319 61.487 61.487 63.820 -2.333 18296 5979 1 15 . 1 1 12 12 PRO CB C 319 30.960 30.960 29.911 1.049 18296 5980 1 15 . 1 1 13 13 PRO HA H 320 3.968 3.968 4.356 -0.388 18296 5981 1 15 . 1 1 13 13 PRO C C 320 176.730 176.730 175.918 0.812 18296 5982 1 15 . 1 1 13 13 PRO CA C 320 62.874 62.874 63.161 -0.287 18296 5983 1 15 . 1 1 13 13 PRO CB C 320 31.948 31.948 32.062 -0.114 18296 5984 1 15 . 1 1 14 14 ALA N N 321 123.469 123.469 124.497 -1.028 18296 5985 1 15 . 1 1 14 14 ALA HA H 321 3.952 3.952 4.359 -0.407 18296 5986 1 15 . 1 1 14 14 ALA C C 321 175.208 175.208 176.721 -1.513 18296 5987 1 15 . 1 1 14 14 ALA CA C 321 52.876 52.876 51.659 1.217 18296 5988 1 15 . 1 1 14 14 ALA CB C 321 18.896 18.896 19.684 -0.788 18296 5989 1 15 . 1 1 14 14 ALA H H 321 8.108 8.108 8.082 0.026 18296 5990 1 15 . 1 1 15 15 ARG N N 322 118.725 118.725 120.537 -1.812 18296 5991 1 15 . 1 1 15 15 ARG HA H 322 3.943 3.943 4.248 -0.305 18296 5992 1 15 . 1 1 15 15 ARG C C 322 176.870 176.870 175.945 0.925 18296 5993 1 15 . 1 1 15 15 ARG CA C 322 56.737 56.737 56.037 0.700 18296 5994 1 15 . 1 1 15 15 ARG CB C 322 30.230 30.230 30.667 -0.437 18296 5995 1 15 . 1 1 15 15 ARG H H 322 8.077 8.077 7.921 0.156 18296 5996 1 15 . 1 1 16 16 TRP N N 323 120.113 120.113 123.744 -3.631 18296 5997 1 15 . 1 1 16 16 TRP HA H 323 4.471 4.471 4.920 -0.449 18296 5998 1 15 . 1 1 16 16 TRP C C 323 177.322 177.322 175.893 1.429 18296 5999 1 15 . 1 1 16 16 TRP CA C 323 57.143 57.143 55.172 1.971 18296 6000 1 15 . 1 1 16 16 TRP CB C 323 29.192 29.192 29.265 -0.073 18296 6001 1 15 . 1 1 16 16 TRP H H 323 7.634 7.634 8.383 -0.749 18296 6002 1 15 . 1 1 17 17 LYS N N 324 121.400 121.400 119.884 1.516 18296 6003 1 15 . 1 1 17 17 LYS HA H 324 3.951 3.951 4.505 -0.554 18296 6004 1 15 . 1 1 17 17 LYS C C 324 179.457 179.457 176.358 3.099 18296 6005 1 15 . 1 1 17 17 LYS CA C 324 56.502 56.502 55.635 0.867 18296 6006 1 15 . 1 1 17 17 LYS CB C 324 32.867 32.867 33.793 -0.926 18296 6007 1 15 . 1 1 17 17 LYS H H 324 7.735 7.735 7.763 -0.028 18296 6008 1 15 . 1 1 18 18 LEU N N 325 121.064 121.064 119.332 1.732 18296 6009 1 15 . 1 1 18 18 LEU HA H 325 4.141 4.141 4.508 -0.367 18296 6010 1 15 . 1 1 18 18 LEU C C 325 176.781 176.781 176.466 0.315 18296 6011 1 15 . 1 1 18 18 LEU CA C 325 54.574 54.574 55.554 -0.980 18296 6012 1 15 . 1 1 18 18 LEU CB C 325 42.252 42.252 42.035 0.217 18296 6013 1 15 . 1 1 18 18 LEU H H 325 7.708 7.708 8.213 -0.505 18296 6014 1 15 . 1 1 19 19 THR N N 326 117.252 117.252 111.850 5.402 18296 6015 1 15 . 1 1 19 19 THR HA H 326 3.935 3.935 4.419 -0.484 18296 6016 1 15 . 1 1 19 19 THR C C 326 180.854 180.854 173.908 6.946 18296 6017 1 15 . 1 1 19 19 THR CA C 326 61.977 61.977 60.230 1.747 18296 6018 1 15 . 1 1 19 19 THR CB C 326 70.166 70.166 71.207 -1.040 18296 6019 1 15 . 1 1 19 19 THR H H 326 7.915 7.915 7.797 0.118 18296 6020 1 15 . 1 1 20 20 CYS N N 327 127.254 127.254 124.541 2.713 18296 6021 1 15 . 1 1 20 20 CYS HA H 327 4.324 4.324 4.878 -0.554 18296 6022 1 15 . 1 1 20 20 CYS C C 327 175.898 175.898 177.109 -1.211 18296 6023 1 15 . 1 1 20 20 CYS CA C 327 57.928 57.928 58.043 -0.115 18296 6024 1 15 . 1 1 20 20 CYS CB C 327 31.298 31.298 27.973 3.325 18296 6025 1 15 . 1 1 20 20 CYS H H 327 8.055 8.055 8.710 -0.655 18296 6026 1 15 . 1 1 21 21 TYR N N 328 129.752 129.752 126.701 3.051 18296 6027 1 15 . 1 1 21 21 TYR HA H 328 4.488 4.488 4.413 0.075 18296 6028 1 15 . 1 1 21 21 TYR C C 328 178.625 178.625 176.365 2.260 18296 6029 1 15 . 1 1 21 21 TYR CA C 328 58.951 58.951 59.666 -0.715 18296 6030 1 15 . 1 1 21 21 TYR CB C 328 37.712 37.712 37.784 -0.072 18296 6031 1 15 . 1 1 21 21 TYR H H 328 9.082 9.082 8.669 0.413 18296 6032 1 15 . 1 1 22 22 LEU N N 329 124.057 124.057 119.160 4.897 18296 6033 1 15 . 1 1 22 22 LEU HA H 329 3.749 3.749 4.456 -0.707 18296 6034 1 15 . 1 1 22 22 LEU C C 329 176.268 176.268 176.827 -0.559 18296 6035 1 15 . 1 1 22 22 LEU CA C 329 56.514 56.514 54.661 1.853 18296 6036 1 15 . 1 1 22 22 LEU CB C 329 42.975 42.975 42.341 0.634 18296 6037 1 15 . 1 1 22 22 LEU H H 329 8.140 8.140 7.622 0.518 18296 6038 1 15 . 1 1 23 23 CYS N N 330 117.734 117.734 116.998 0.736 18296 6039 1 15 . 1 1 23 23 CYS HA H 330 4.741 4.741 4.837 -0.096 18296 6040 1 15 . 1 1 23 23 CYS C C 330 177.769 177.769 172.909 4.860 18296 6041 1 15 . 1 1 23 23 CYS CA C 330 58.459 58.459 57.505 0.954 18296 6042 1 15 . 1 1 23 23 CYS CB C 330 30.918 30.918 31.433 -0.515 18296 6043 1 15 . 1 1 23 23 CYS H H 330 7.971 7.971 7.330 0.641 18296 6044 1 15 . 1 1 24 24 LYS N N 331 118.437 118.437 120.004 -1.567 18296 6045 1 15 . 1 1 24 24 LYS HA H 331 3.980 3.980 4.444 -0.464 18296 6046 1 15 . 1 1 24 24 LYS C C 331 178.178 178.178 176.000 2.178 18296 6047 1 15 . 1 1 24 24 LYS CA C 331 57.520 57.520 56.706 0.814 18296 6048 1 15 . 1 1 24 24 LYS CB C 331 29.278 29.278 32.653 -3.375 18296 6049 1 15 . 1 1 24 24 LYS H H 331 7.842 7.842 8.440 -0.598 18296 6050 1 15 . 1 1 25 25 GLN N N 332 118.445 118.445 118.745 -0.300 18296 6051 1 15 . 1 1 25 25 GLN HA H 332 4.574 4.574 4.527 0.047 18296 6052 1 15 . 1 1 25 25 GLN C C 332 177.619 177.619 175.814 1.805 18296 6053 1 15 . 1 1 25 25 GLN CA C 332 54.362 54.362 55.421 -1.059 18296 6054 1 15 . 1 1 25 25 GLN CB C 332 31.843 31.843 29.474 2.369 18296 6055 1 15 . 1 1 25 25 GLN H H 332 8.306 8.306 8.484 -0.178 18296 6056 1 15 . 1 1 26 26 LYS N N 333 122.851 122.851 117.767 5.084 18296 6057 1 15 . 1 1 26 26 LYS HA H 333 4.222 4.222 3.872 0.350 18296 6058 1 15 . 1 1 26 26 LYS C C 333 175.456 175.456 176.222 -0.766 18296 6059 1 15 . 1 1 26 26 LYS CA C 333 57.729 57.729 58.853 -1.124 18296 6060 1 15 . 1 1 26 26 LYS CB C 333 32.925 32.925 31.200 1.725 18296 6061 1 15 . 1 1 26 26 LYS H H 333 8.545 8.545 8.580 -0.035 18296 6062 1 15 . 1 1 27 27 GLY N N 334 107.216 107.216 105.610 1.606 18296 6063 1 15 . 1 1 27 27 GLY C C 334 180.017 180.017 173.312 6.705 18296 6064 1 15 . 1 1 27 27 GLY CA C 334 45.559 45.559 45.117 0.442 18296 6065 1 15 . 1 1 27 27 GLY H H 334 8.348 8.348 7.983 0.365 18296 6066 1 15 . 1 1 28 28 VAL N N 335 117.437 117.437 117.763 -0.326 18296 6067 1 15 . 1 1 28 28 VAL HA H 335 4.133 4.133 4.443 -0.310 18296 6068 1 15 . 1 1 28 28 VAL C C 335 177.439 177.439 176.275 1.164 18296 6069 1 15 . 1 1 28 28 VAL CA C 335 61.502 61.502 62.244 -0.742 18296 6070 1 15 . 1 1 28 28 VAL CB C 335 33.563 33.563 32.794 0.769 18296 6071 1 15 . 1 1 28 28 VAL H H 335 7.867 7.867 8.481 -0.614 18296 6072 1 15 . 1 1 29 29 GLY N N 336 110.723 110.723 109.979 0.744 18296 6073 1 15 . 1 1 29 29 GLY C C 336 180.088 180.088 173.970 6.118 18296 6074 1 15 . 1 1 29 29 GLY CA C 336 44.344 44.344 45.807 -1.463 18296 6075 1 15 . 1 1 29 29 GLY H H 336 8.186 8.186 8.657 -0.471 18296 6076 1 15 . 1 1 30 30 ALA N N 337 122.643 122.643 125.287 -2.644 18296 6077 1 15 . 1 1 30 30 ALA HA H 337 4.193 4.193 4.744 -0.551 18296 6078 1 15 . 1 1 30 30 ALA C C 337 175.274 175.274 176.064 -0.790 18296 6079 1 15 . 1 1 30 30 ALA CA C 337 52.904 52.904 51.383 1.521 18296 6080 1 15 . 1 1 30 30 ALA CB C 337 19.677 19.677 20.514 -0.837 18296 6081 1 15 . 1 1 30 30 ALA H H 337 8.269 8.269 7.926 0.343 18296 6082 1 15 . 1 1 31 31 SER N N 338 117.644 117.644 118.396 -0.752 18296 6083 1 15 . 1 1 31 31 SER HA H 338 4.775 4.775 4.649 0.126 18296 6084 1 15 . 1 1 31 31 SER C C 338 180.923 180.923 172.882 8.041 18296 6085 1 15 . 1 1 31 31 SER CA C 338 57.406 57.406 57.273 0.133 18296 6086 1 15 . 1 1 31 31 SER CB C 338 65.388 65.388 65.097 0.292 18296 6087 1 15 . 1 1 31 31 SER H H 338 8.415 8.415 8.435 -0.020 18296 6088 1 15 . 1 1 32 32 ILE N N 339 121.240 121.240 123.760 -2.520 18296 6089 1 15 . 1 1 32 32 ILE HA H 339 4.123 4.123 4.252 -0.129 18296 6090 1 15 . 1 1 32 32 ILE C C 339 181.302 181.302 173.467 7.835 18296 6091 1 15 . 1 1 32 32 ILE CA C 339 59.768 59.768 58.905 0.863 18296 6092 1 15 . 1 1 32 32 ILE CB C 339 41.252 41.252 41.053 0.199 18296 6093 1 15 . 1 1 32 32 ILE H H 339 8.522 8.522 8.856 -0.334 18296 6094 1 15 . 1 1 33 33 GLN N N 340 120.384 120.384 127.867 -7.483 18296 6095 1 15 . 1 1 33 33 GLN HA H 340 4.335 4.335 4.752 -0.417 18296 6096 1 15 . 1 1 33 33 GLN C C 340 179.377 179.377 175.310 4.067 18296 6097 1 15 . 1 1 33 33 GLN CA C 340 53.739 53.739 54.319 -0.581 18296 6098 1 15 . 1 1 33 33 GLN CB C 340 32.179 32.179 30.153 2.026 18296 6099 1 15 . 1 1 33 33 GLN H H 340 7.720 7.720 8.321 -0.601 18296 6100 1 15 . 1 1 34 34 CYS N N 341 125.463 125.463 127.891 -2.428 18296 6101 1 15 . 1 1 34 34 CYS HA H 341 4.036 4.036 4.590 -0.554 18296 6102 1 15 . 1 1 34 34 CYS C C 341 178.269 178.269 175.859 2.410 18296 6103 1 15 . 1 1 34 34 CYS CA C 341 60.992 60.992 59.322 1.670 18296 6104 1 15 . 1 1 34 34 CYS CB C 341 32.346 32.346 28.224 4.122 18296 6105 1 15 . 1 1 34 34 CYS H H 341 8.292 8.292 9.035 -0.743 18296 6106 1 15 . 1 1 35 35 HIS N N 342 126.611 126.611 127.694 -1.083 18296 6107 1 15 . 1 1 35 35 HIS HA H 342 4.128 4.128 4.243 -0.115 18296 6108 1 15 . 1 1 35 35 HIS CA C 342 57.556 57.556 57.563 -0.007 18296 6109 1 15 . 1 1 35 35 HIS CB C 342 29.945 29.945 30.954 -1.009 18296 6110 1 15 . 1 1 35 35 HIS H H 342 8.722 8.722 8.711 0.011 18296 6111 1 15 . 1 1 36 36 LYS N N 343 124.049 124.049 116.207 7.842 18296 6112 1 15 . 1 1 36 36 LYS HA H 343 3.940 3.940 3.903 0.037 18296 6113 1 15 . 1 1 36 36 LYS C C 343 176.701 176.701 175.987 0.714 18296 6114 1 15 . 1 1 36 36 LYS CA C 343 56.155 56.155 56.662 -0.507 18296 6115 1 15 . 1 1 36 36 LYS CB C 343 33.033 33.033 31.933 1.100 18296 6116 1 15 . 1 1 36 36 LYS H H 343 8.567 8.567 8.322 0.245 18296 6117 1 15 . 1 1 37 37 ALA N N 344 130.751 130.751 127.230 3.521 18296 6118 1 15 . 1 1 37 37 ALA HA H 344 3.733 3.733 3.029 0.704 18296 6119 1 15 . 1 1 37 37 ALA C C 344 175.302 175.302 177.733 -2.431 18296 6120 1 15 . 1 1 37 37 ALA CA C 344 53.917 53.917 53.825 0.092 18296 6121 1 15 . 1 1 37 37 ALA CB C 344 18.206 18.206 18.424 -0.218 18296 6122 1 15 . 1 1 37 37 ALA H H 344 8.363 8.363 8.492 -0.129 18296 6123 1 15 . 1 1 38 38 ASN N N 345 114.094 114.094 116.080 -1.986 18296 6124 1 15 . 1 1 38 38 ASN HA H 345 3.885 3.885 4.603 -0.718 18296 6125 1 15 . 1 1 38 38 ASN C C 345 181.195 181.195 176.280 4.915 18296 6126 1 15 . 1 1 38 38 ASN CA C 345 53.606 53.606 54.861 -1.255 18296 6127 1 15 . 1 1 38 38 ASN CB C 345 37.443 37.443 38.425 -0.982 18296 6128 1 15 . 1 1 38 38 ASN H H 345 8.292 8.292 8.414 -0.122 18296 6129 1 15 . 1 1 39 39 CYS N N 346 121.417 121.417 118.523 2.894 18296 6130 1 15 . 1 1 39 39 CYS C C 346 178.723 178.723 175.483 3.240 18296 6131 1 15 . 1 1 39 39 CYS H H 346 7.283 7.283 7.593 -0.310 18296 6132 1 15 . 1 1 40 40 TYR HA H 347 4.212 4.212 4.276 -0.064 18296 6133 1 15 . 1 1 40 40 TYR C C 347 178.156 178.156 174.274 3.882 18296 6134 1 15 . 1 1 40 40 TYR CA C 347 56.478 56.478 58.962 -2.484 18296 6135 1 15 . 1 1 40 40 TYR CB C 347 37.446 37.446 35.716 1.730 18296 6136 1 15 . 1 1 40 40 TYR H H 347 7.923 7.923 8.122 -0.199 18296 6137 1 15 . 1 1 41 41 THR N N 348 122.674 122.674 117.361 5.313 18296 6138 1 15 . 1 1 41 41 THR HA H 348 3.806 3.806 4.703 -0.897 18296 6139 1 15 . 1 1 41 41 THR C C 348 182.343 182.343 173.619 8.724 18296 6140 1 15 . 1 1 41 41 THR CA C 348 64.932 64.932 62.434 2.498 18296 6141 1 15 . 1 1 41 41 THR CB C 348 68.772 68.772 69.950 -1.178 18296 6142 1 15 . 1 1 41 41 THR H H 348 8.421 8.421 7.927 0.494 18296 6143 1 15 . 1 1 42 42 ALA N N 349 130.177 130.177 131.028 -0.851 18296 6144 1 15 . 1 1 42 42 ALA HA H 349 4.967 4.967 5.223 -0.256 18296 6145 1 15 . 1 1 42 42 ALA C C 349 176.955 176.955 176.071 0.884 18296 6146 1 15 . 1 1 42 42 ALA CA C 349 49.997 49.997 50.788 -0.791 18296 6147 1 15 . 1 1 42 42 ALA CB C 349 23.467 23.467 20.532 2.935 18296 6148 1 15 . 1 1 42 42 ALA H H 349 8.856 8.856 9.086 -0.230 18296 6149 1 15 . 1 1 43 43 PHE N N 350 113.053 113.053 119.821 -6.768 18296 6150 1 15 . 1 1 43 43 PHE HA H 350 5.525 5.525 4.669 0.856 18296 6151 1 15 . 1 1 43 43 PHE C C 350 177.894 177.894 173.841 4.053 18296 6152 1 15 . 1 1 43 43 PHE CA C 350 53.625 53.625 55.873 -2.248 18296 6153 1 15 . 1 1 43 43 PHE CB C 350 39.459 39.459 40.802 -1.343 18296 6154 1 15 . 1 1 43 43 PHE H H 350 7.912 7.912 8.700 -0.788 18296 6155 1 15 . 1 1 44 44 HIS N N 351 118.497 118.497 120.220 -1.723 18296 6156 1 15 . 1 1 44 44 HIS HA H 351 4.892 4.892 4.778 0.114 18296 6157 1 15 . 1 1 44 44 HIS C C 351 176.371 176.371 177.279 -0.908 18296 6158 1 15 . 1 1 44 44 HIS CA C 351 58.019 58.019 57.026 0.993 18296 6159 1 15 . 1 1 44 44 HIS CB C 351 31.716 31.716 30.018 1.698 18296 6160 1 15 . 1 1 44 44 HIS H H 351 9.335 9.335 8.340 0.995 18296 6161 1 15 . 1 1 45 45 VAL N N 352 124.407 124.407 121.902 2.505 18296 6162 1 15 . 1 1 45 45 VAL HA H 352 3.476 3.476 3.795 -0.319 18296 6163 1 15 . 1 1 45 45 VAL C C 352 175.305 175.305 177.912 -2.607 18296 6164 1 15 . 1 1 45 45 VAL CA C 352 67.359 67.359 66.609 0.750 18296 6165 1 15 . 1 1 45 45 VAL CB C 352 31.627 31.627 31.210 0.417 18296 6166 1 15 . 1 1 45 45 VAL H H 352 8.654 8.654 7.994 0.660 18296 6167 1 15 . 1 1 46 46 THR N N 353 111.166 111.166 115.082 -3.916 18296 6168 1 15 . 1 1 46 46 THR HA H 353 3.997 3.997 4.012 -0.015 18296 6169 1 15 . 1 1 46 46 THR C C 353 175.010 175.010 175.993 -0.983 18296 6170 1 15 . 1 1 46 46 THR CA C 353 65.008 65.008 66.349 -1.341 18296 6171 1 15 . 1 1 46 46 THR CB C 353 67.830 67.830 68.555 -0.725 18296 6172 1 15 . 1 1 46 46 THR H H 353 8.370 8.370 8.519 -0.149 18296 6173 1 15 . 1 1 47 47 CYS N N 354 120.975 120.975 119.403 1.572 18296 6174 1 15 . 1 1 47 47 CYS HA H 354 3.762 3.762 4.332 -0.570 18296 6175 1 15 . 1 1 47 47 CYS C C 354 175.912 175.912 177.037 -1.125 18296 6176 1 15 . 1 1 47 47 CYS CA C 354 63.372 63.372 62.521 0.851 18296 6177 1 15 . 1 1 47 47 CYS CB C 354 29.076 29.076 25.770 3.306 18296 6178 1 15 . 1 1 47 47 CYS H H 354 6.668 6.668 8.516 -1.848 18296 6179 1 15 . 1 1 48 48 ALA N N 355 123.247 123.247 122.857 0.390 18296 6180 1 15 . 1 1 48 48 ALA HA H 355 3.511 3.511 4.192 -0.681 18296 6181 1 15 . 1 1 48 48 ALA C C 355 174.031 174.031 179.429 -5.398 18296 6182 1 15 . 1 1 48 48 ALA CA C 355 55.045 55.045 54.915 0.130 18296 6183 1 15 . 1 1 48 48 ALA CB C 355 19.962 19.962 18.903 1.059 18296 6184 1 15 . 1 1 48 48 ALA H H 355 8.481 8.481 8.009 0.472 18296 6185 1 15 . 1 1 49 49 GLN N N 356 118.150 118.150 118.238 -0.088 18296 6186 1 15 . 1 1 49 49 GLN HA H 356 4.003 4.003 4.010 -0.007 18296 6187 1 15 . 1 1 49 49 GLN C C 356 173.755 173.755 178.666 -4.911 18296 6188 1 15 . 1 1 49 49 GLN CA C 356 58.728 58.728 58.762 -0.034 18296 6189 1 15 . 1 1 49 49 GLN CB C 356 28.196 28.196 28.857 -0.661 18296 6190 1 15 . 1 1 49 49 GLN H H 356 8.055 8.055 8.120 -0.065 18296 6191 1 15 . 1 1 50 50 LYS N N 357 120.248 120.248 118.371 1.877 18296 6192 1 15 . 1 1 50 50 LYS HA H 357 3.866 3.866 4.181 -0.315 18296 6193 1 15 . 1 1 50 50 LYS C C 357 175.624 175.624 178.347 -2.723 18296 6194 1 15 . 1 1 50 50 LYS CA C 357 58.989 58.989 57.987 1.002 18296 6195 1 15 . 1 1 50 50 LYS CB C 357 32.377 32.377 32.502 -0.124 18296 6196 1 15 . 1 1 50 50 LYS H H 357 7.628 7.628 7.989 -0.361 18296 6197 1 15 . 1 1 51 51 ALA N N 358 118.343 118.343 120.069 -1.726 18296 6198 1 15 . 1 1 51 51 ALA HA H 358 4.138 4.138 4.233 -0.095 18296 6199 1 15 . 1 1 51 51 ALA C C 358 176.132 176.132 178.460 -2.328 18296 6200 1 15 . 1 1 51 51 ALA CA C 358 52.263 52.263 53.241 -0.978 18296 6201 1 15 . 1 1 51 51 ALA CB C 358 19.690 19.690 19.322 0.368 18296 6202 1 15 . 1 1 51 51 ALA H H 358 7.558 7.558 7.432 0.126 18296 6203 1 15 . 1 1 52 52 GLY N N 359 107.058 107.058 107.097 -0.039 18296 6204 1 15 . 1 1 52 52 GLY C C 359 178.221 178.221 174.146 4.075 18296 6205 1 15 . 1 1 52 52 GLY CA C 359 46.323 46.323 45.068 1.255 18296 6206 1 15 . 1 1 52 52 GLY H H 359 7.481 7.481 8.073 -0.592 18296 6207 1 15 . 1 1 53 53 LEU N N 360 118.335 118.335 115.841 2.494 18296 6208 1 15 . 1 1 53 53 LEU HA H 360 4.002 4.002 4.851 -0.849 18296 6209 1 15 . 1 1 53 53 LEU C C 360 176.917 176.917 176.431 0.486 18296 6210 1 15 . 1 1 53 53 LEU CA C 360 54.926 54.926 52.292 2.634 18296 6211 1 15 . 1 1 53 53 LEU CB C 360 39.949 39.949 42.759 -2.810 18296 6212 1 15 . 1 1 53 53 LEU H H 360 7.502 7.502 7.300 0.202 18296 6213 1 15 . 1 1 54 54 TYR N N 361 124.191 124.191 120.744 3.447 18296 6214 1 15 . 1 1 54 54 TYR HA H 361 4.024 4.024 4.505 -0.481 18296 6215 1 15 . 1 1 54 54 TYR C C 361 178.584 178.584 174.869 3.715 18296 6216 1 15 . 1 1 54 54 TYR CA C 361 59.385 59.385 59.097 0.288 18296 6217 1 15 . 1 1 54 54 TYR CB C 361 39.068 39.068 39.351 -0.283 18296 6218 1 15 . 1 1 54 54 TYR H H 361 9.307 9.307 8.679 0.628 18296 6219 1 15 . 1 1 55 55 MET N N 362 127.473 127.473 127.776 -0.303 18296 6220 1 15 . 1 1 55 55 MET HA H 362 4.953 4.953 4.659 0.294 18296 6221 1 15 . 1 1 55 55 MET C C 362 179.342 179.342 174.580 4.762 18296 6222 1 15 . 1 1 55 55 MET CA C 362 54.918 54.918 54.332 0.586 18296 6223 1 15 . 1 1 55 55 MET CB C 362 35.857 35.857 35.821 0.036 18296 6224 1 15 . 1 1 55 55 MET H H 362 7.575 7.575 8.080 -0.505 18296 6225 1 15 . 1 1 56 56 LYS N N 363 124.429 124.429 124.437 -0.008 18296 6226 1 15 . 1 1 56 56 LYS HA H 363 4.339 4.339 4.549 -0.210 18296 6227 1 15 . 1 1 56 56 LYS C C 363 178.541 178.541 174.985 3.556 18296 6228 1 15 . 1 1 56 56 LYS CA C 363 54.939 54.939 55.317 -0.378 18296 6229 1 15 . 1 1 56 56 LYS CB C 363 35.977 35.977 35.342 0.635 18296 6230 1 15 . 1 1 56 56 LYS H H 363 8.575 8.575 8.813 -0.238 18296 6231 1 15 . 1 1 57 57 MET N N 364 123.350 123.350 121.482 1.868 18296 6232 1 15 . 1 1 57 57 MET HA H 364 4.801 4.801 4.716 0.085 18296 6233 1 15 . 1 1 57 57 MET C C 364 178.016 178.016 174.666 3.350 18296 6234 1 15 . 1 1 57 57 MET CA C 364 54.111 54.111 55.648 -1.537 18296 6235 1 15 . 1 1 57 57 MET H H 364 8.484 8.484 8.571 -0.087 18296 6236 1 15 . 1 1 58 58 GLU N N 365 121.319 121.319 124.112 -2.793 18296 6237 1 15 . 1 1 58 58 GLU H H 365 8.193 8.193 9.001 -0.808 18296 6238 1 15 . 1 1 59 59 PRO HA H 366 4.665 4.665 4.380 0.285 18296 6239 1 15 . 1 1 59 59 PRO C C 366 176.742 176.742 176.056 0.686 18296 6240 1 15 . 1 1 59 59 PRO CA C 366 62.524 62.524 62.245 0.279 18296 6241 1 15 . 1 1 59 59 PRO CB C 366 32.125 32.125 32.548 -0.423 18296 6242 1 15 . 1 1 60 60 VAL N N 367 122.754 122.754 117.362 5.392 18296 6243 1 15 . 1 1 60 60 VAL HA H 367 4.105 4.105 4.517 -0.412 18296 6244 1 15 . 1 1 60 60 VAL C C 367 178.435 178.435 174.140 4.295 18296 6245 1 15 . 1 1 60 60 VAL CA C 367 61.529 61.529 60.627 0.902 18296 6246 1 15 . 1 1 60 60 VAL CB C 367 34.057 34.057 34.812 -0.755 18296 6247 1 15 . 1 1 60 60 VAL H H 367 8.509 8.509 8.989 -0.480 18296 6248 1 15 . 1 1 61 61 LYS N N 368 126.381 126.381 124.840 1.541 18296 6249 1 15 . 1 1 61 61 LYS HA H 368 4.180 4.180 4.932 -0.752 18296 6250 1 15 . 1 1 61 61 LYS C C 368 177.499 177.499 176.243 1.256 18296 6251 1 15 . 1 1 61 61 LYS CA C 368 56.047 56.047 54.871 1.176 18296 6252 1 15 . 1 1 61 61 LYS CB C 368 33.313 33.313 34.859 -1.546 18296 6253 1 15 . 1 1 61 61 LYS H H 368 8.379 8.379 8.433 -0.054 18296 6254 1 15 . 1 1 62 62 GLU N N 369 123.927 123.927 119.245 4.682 18296 6255 1 15 . 1 1 62 62 GLU HA H 369 4.246 4.246 4.026 0.220 18296 6256 1 15 . 1 1 62 62 GLU C C 369 177.861 177.861 177.081 0.780 18296 6257 1 15 . 1 1 62 62 GLU CA C 369 55.596 55.596 57.194 -1.598 18296 6258 1 15 . 1 1 62 62 GLU CB C 369 31.289 31.289 29.581 1.708 18296 6259 1 15 . 1 1 62 62 GLU H H 369 8.355 8.355 8.639 -0.284 18296 6260 1 15 . 1 1 63 63 LEU N N 370 124.406 124.406 112.455 11.951 18296 6261 1 15 . 1 1 63 63 LEU HA H 370 4.356 4.356 4.573 -0.217 18296 6262 1 15 . 1 1 63 63 LEU C C 370 176.026 176.026 177.172 -1.146 18296 6263 1 15 . 1 1 63 63 LEU CA C 370 55.223 55.223 56.570 -1.347 18296 6264 1 15 . 1 1 63 63 LEU CB C 370 42.061 42.061 42.151 -0.090 18296 6265 1 15 . 1 1 63 63 LEU H H 370 8.419 8.419 8.467 -0.048 18296 6266 1 15 . 1 1 64 64 THR N N 371 114.722 114.722 111.422 3.300 18296 6267 1 15 . 1 1 64 64 THR HA H 371 4.306 4.306 4.265 0.041 18296 6268 1 15 . 1 1 64 64 THR C C 371 178.158 178.158 175.833 2.325 18296 6269 1 15 . 1 1 64 64 THR CA C 371 61.196 61.196 62.807 -1.611 18296 6270 1 15 . 1 1 64 64 THR CB C 371 70.416 70.416 68.430 1.986 18296 6271 1 15 . 1 1 64 64 THR H H 371 7.966 7.966 7.557 0.409 18296 6272 1 15 . 1 1 65 65 GLY N N 372 111.711 111.711 115.943 -4.232 18296 6273 1 15 . 1 1 65 65 GLY C C 372 178.512 178.512 173.580 4.932 18296 6274 1 15 . 1 1 65 65 GLY CA C 372 46.227 46.227 45.083 1.145 18296 6275 1 15 . 1 1 65 65 GLY H H 372 8.565 8.565 8.560 0.005 18296 6276 1 15 . 1 1 66 66 GLY N N 373 108.771 108.771 109.751 -0.980 18296 6277 1 15 . 1 1 66 66 GLY C C 373 178.999 178.999 174.689 4.310 18296 6278 1 15 . 1 1 66 66 GLY CA C 373 45.287 45.287 45.944 -0.657 18296 6279 1 15 . 1 1 66 66 GLY H H 373 8.227 8.227 8.107 0.120 18296 6280 1 15 . 1 1 67 67 GLY N N 374 108.901 108.901 110.094 -1.193 18296 6281 1 15 . 1 1 67 67 GLY C C 374 179.721 179.721 173.204 6.517 18296 6282 1 15 . 1 1 67 67 GLY CA C 374 44.987 44.987 44.947 0.040 18296 6283 1 15 . 1 1 67 67 GLY H H 374 7.876 7.876 8.126 -0.250 18296 6284 1 15 . 1 1 68 68 THR N N 375 114.505 114.505 116.713 -2.208 18296 6285 1 15 . 1 1 68 68 THR HA H 375 4.450 4.450 4.728 -0.278 18296 6286 1 15 . 1 1 68 68 THR C C 375 178.997 178.997 174.399 4.598 18296 6287 1 15 . 1 1 68 68 THR CA C 375 61.900 61.900 61.508 0.392 18296 6288 1 15 . 1 1 68 68 THR CB C 375 70.047 70.047 70.896 -0.849 18296 6289 1 15 . 1 1 68 68 THR H H 375 8.112 8.112 7.771 0.341 18296 6290 1 15 . 1 1 69 69 THR N N 376 118.054 118.054 117.446 0.608 18296 6291 1 15 . 1 1 69 69 THR HA H 376 4.302 4.302 3.921 0.381 18296 6292 1 15 . 1 1 69 69 THR C C 376 180.403 180.403 173.705 6.698 18296 6293 1 15 . 1 1 69 69 THR CA C 376 61.114 61.114 65.191 -4.077 18296 6294 1 15 . 1 1 69 69 THR CB C 376 70.422 70.422 67.459 2.963 18296 6295 1 15 . 1 1 69 69 THR H H 376 8.259 8.259 8.844 -0.585 18296 6296 1 15 . 1 1 70 70 PHE N N 377 122.009 122.009 125.669 -3.660 18296 6297 1 15 . 1 1 70 70 PHE HA H 377 4.910 4.910 4.779 0.131 18296 6298 1 15 . 1 1 70 70 PHE C C 377 177.972 177.972 174.771 3.201 18296 6299 1 15 . 1 1 70 70 PHE CA C 377 57.227 57.227 57.358 -0.131 18296 6300 1 15 . 1 1 70 70 PHE CB C 377 40.873 40.873 40.170 0.703 18296 6301 1 15 . 1 1 70 70 PHE H H 377 8.351 8.351 8.142 0.209 18296 6302 1 15 . 1 1 71 71 SER N N 378 117.853 117.853 122.865 -5.012 18296 6303 1 15 . 1 1 71 71 SER HA H 378 4.493 4.493 4.790 -0.297 18296 6304 1 15 . 1 1 71 71 SER C C 378 180.063 180.063 172.111 7.952 18296 6305 1 15 . 1 1 71 71 SER CA C 378 57.276 57.276 57.421 -0.145 18296 6306 1 15 . 1 1 71 71 SER CB C 378 64.612 64.612 65.875 -1.263 18296 6307 1 15 . 1 1 71 71 SER H H 378 8.519 8.519 8.647 -0.128 18296 6308 1 15 . 1 1 72 72 VAL N N 379 120.162 120.162 122.899 -2.737 18296 6309 1 15 . 1 1 72 72 VAL HA H 379 4.441 4.441 4.220 0.222 18296 6310 1 15 . 1 1 72 72 VAL C C 379 178.192 178.192 174.929 3.263 18296 6311 1 15 . 1 1 72 72 VAL CA C 379 61.369 61.369 61.004 0.365 18296 6312 1 15 . 1 1 72 72 VAL CB C 379 33.944 33.944 34.460 -0.516 18296 6313 1 15 . 1 1 72 72 VAL H H 379 8.277 8.277 8.343 -0.066 18296 6314 1 15 . 1 1 73 73 ARG N N 380 126.538 126.538 125.124 1.414 18296 6315 1 15 . 1 1 73 73 ARG HA H 380 4.430 4.430 4.513 -0.083 18296 6316 1 15 . 1 1 73 73 ARG C C 380 177.524 177.524 174.633 2.891 18296 6317 1 15 . 1 1 73 73 ARG CA C 380 54.744 54.744 55.266 -0.522 18296 6318 1 15 . 1 1 73 73 ARG CB C 380 32.635 32.635 32.017 0.617 18296 6319 1 15 . 1 1 73 73 ARG H H 380 8.727 8.727 8.444 0.283 18296 6320 1 15 . 1 1 74 74 LYS N N 381 126.485 126.485 125.616 0.869 18296 6321 1 15 . 1 1 74 74 LYS HA H 381 4.613 4.613 4.500 0.113 18296 6322 1 15 . 1 1 74 74 LYS C C 381 178.050 178.050 175.604 2.446 18296 6323 1 15 . 1 1 74 74 LYS CA C 381 56.325 56.325 55.208 1.117 18296 6324 1 15 . 1 1 74 74 LYS CB C 381 33.149 33.149 34.772 -1.623 18296 6325 1 15 . 1 1 74 74 LYS H H 381 8.636 8.636 8.547 0.089 18296 6326 1 15 . 1 1 75 75 THR N N 382 120.767 120.767 120.695 0.072 18296 6327 1 15 . 1 1 75 75 THR HA H 382 3.791 3.791 4.288 -0.497 18296 6328 1 15 . 1 1 75 75 THR C C 382 181.578 181.578 171.873 9.705 18296 6329 1 15 . 1 1 75 75 THR CA C 382 61.703 61.703 61.788 -0.085 18296 6330 1 15 . 1 1 75 75 THR CB C 382 70.771 70.771 70.648 0.123 18296 6331 1 15 . 1 1 75 75 THR H H 382 8.544 8.544 8.266 0.278 18296 6332 1 15 . 1 1 76 76 ALA N N 383 126.390 126.390 129.144 -2.754 18296 6333 1 15 . 1 1 76 76 ALA HA H 383 5.358 5.358 4.681 0.677 18296 6334 1 15 . 1 1 76 76 ALA C C 383 178.931 178.931 175.606 3.325 18296 6335 1 15 . 1 1 76 76 ALA CA C 383 50.669 50.669 50.647 0.022 18296 6336 1 15 . 1 1 76 76 ALA CB C 383 24.682 24.682 21.820 2.862 18296 6337 1 15 . 1 1 76 76 ALA H H 383 7.981 7.981 8.223 -0.242 18296 6338 1 15 . 1 1 77 77 TYR N N 384 116.182 116.182 120.600 -4.418 18296 6339 1 15 . 1 1 77 77 TYR HA H 384 5.920 5.920 4.893 1.027 18296 6340 1 15 . 1 1 77 77 TYR C C 384 177.384 177.384 176.610 0.774 18296 6341 1 15 . 1 1 77 77 TYR CA C 384 56.234 56.234 56.685 -0.451 18296 6342 1 15 . 1 1 77 77 TYR CB C 384 43.201 43.201 40.636 2.565 18296 6343 1 15 . 1 1 77 77 TYR H H 384 7.899 7.899 7.982 -0.083 18296 6344 1 15 . 1 1 78 78 CYS N N 385 121.146 121.146 116.701 4.445 18296 6345 1 15 . 1 1 78 78 CYS HA H 385 4.312 4.312 4.406 -0.094 18296 6346 1 15 . 1 1 78 78 CYS C C 385 178.543 178.543 175.993 2.550 18296 6347 1 15 . 1 1 78 78 CYS CA C 385 58.293 58.293 57.526 0.767 18296 6348 1 15 . 1 1 78 78 CYS CB C 385 29.815 29.815 29.337 0.478 18296 6349 1 15 . 1 1 78 78 CYS H H 385 9.855 9.855 8.838 1.017 18296 6350 1 15 . 1 1 79 79 ASP N N 386 115.334 115.334 120.181 -4.847 18296 6351 1 15 . 1 1 79 79 ASP HA H 386 3.946 3.946 4.577 -0.631 18296 6352 1 15 . 1 1 79 79 ASP C C 386 175.510 175.510 176.386 -0.876 18296 6353 1 15 . 1 1 79 79 ASP CA C 386 57.118 57.118 55.295 1.823 18296 6354 1 15 . 1 1 79 79 ASP CB C 386 40.495 40.495 40.395 0.100 18296 6355 1 15 . 1 1 79 79 ASP H H 386 7.657 7.657 8.620 -0.963 18296 6356 1 15 . 1 1 80 80 VAL N N 387 119.872 119.872 118.402 1.470 18296 6357 1 15 . 1 1 80 80 VAL HA H 387 3.579 3.579 4.171 -0.592 18296 6358 1 15 . 1 1 80 80 VAL C C 387 176.437 176.437 175.378 1.059 18296 6359 1 15 . 1 1 80 80 VAL CA C 387 64.272 64.272 61.030 3.242 18296 6360 1 15 . 1 1 80 80 VAL CB C 387 31.798 31.798 32.068 -0.270 18296 6361 1 15 . 1 1 80 80 VAL H H 387 7.601 7.601 7.150 0.451 18296 6362 1 15 . 1 1 81 81 HIS N N 388 119.244 119.244 118.297 0.947 18296 6363 1 15 . 1 1 81 81 HIS HA H 388 4.632 4.632 4.484 0.148 18296 6364 1 15 . 1 1 81 81 HIS C C 388 180.644 180.644 176.827 3.817 18296 6365 1 15 . 1 1 81 81 HIS CA C 388 56.212 56.212 59.004 -2.792 18296 6366 1 15 . 1 1 81 81 HIS CB C 388 31.774 31.774 31.547 0.227 18296 6367 1 15 . 1 1 81 81 HIS H H 388 7.385 7.385 7.564 -0.179 18296 6368 1 15 . 1 1 82 82 THR N N 389 117.899 117.899 114.666 3.233 18296 6369 1 15 . 1 1 82 82 THR HA H 389 3.733 3.733 4.318 -0.585 18296 6370 1 15 . 1 1 82 82 THR C C 389 181.155 181.155 174.147 7.008 18296 6371 1 15 . 1 1 82 82 THR CA C 389 61.844 61.844 65.143 -3.299 18296 6372 1 15 . 1 1 82 82 THR CB C 389 70.285 70.285 66.732 3.553 18296 6373 1 15 . 1 1 82 82 THR H H 389 7.133 7.133 8.381 -1.248 18296 6374 1 15 . 1 1 83 83 PRO HA H 390 4.192 4.192 4.408 -0.216 18296 6375 1 15 . 1 1 83 83 PRO CA C 390 61.509 61.509 64.981 -3.472 18296 6376 1 15 . 1 1 83 83 PRO CB C 390 30.773 30.773 30.608 0.165 18296 6377 1 15 . 1 1 84 84 PRO HA H 391 4.220 4.220 4.365 -0.145 18296 6378 1 15 . 1 1 84 84 PRO C C 391 175.949 175.949 177.534 -1.585 18296 6379 1 15 . 1 1 84 84 PRO CA C 391 63.032 63.032 63.044 -0.012 18296 6380 1 15 . 1 1 84 84 PRO CB C 391 31.983 31.983 32.052 -0.069 18296 6381 1 15 . 1 1 85 85 GLY N N 392 109.626 109.626 110.290 -0.664 18296 6382 1 15 . 1 1 85 85 GLY C C 392 179.223 179.223 174.695 4.528 18296 6383 1 15 . 1 1 85 85 GLY CA C 392 45.359 45.359 45.373 -0.014 18296 6384 1 15 . 1 1 85 85 GLY H H 392 8.367 8.367 7.855 0.512 18296 6385 1 15 . 1 1 86 86 SER N N 393 115.675 115.675 115.948 -0.273 18296 6386 1 15 . 1 1 86 86 SER HA H 393 4.354 4.354 4.466 -0.112 18296 6387 1 15 . 1 1 86 86 SER C C 393 179.569 179.569 174.911 4.658 18296 6388 1 15 . 1 1 86 86 SER CA C 393 58.521 58.521 58.285 0.235 18296 6389 1 15 . 1 1 86 86 SER CB C 393 63.913 63.913 63.977 -0.064 18296 6390 1 15 . 1 1 86 86 SER H H 393 8.022 8.022 8.093 -0.071 18296 6391 1 16 . 1 1 10 10 ASN N N 317 120.101 120.101 121.861 -1.760 18296 6392 1 16 . 1 1 10 10 ASN HA H 317 4.501 4.501 5.010 -0.509 18296 6393 1 16 . 1 1 10 10 ASN C C 317 179.015 179.015 174.101 4.914 18296 6394 1 16 . 1 1 10 10 ASN CA C 317 53.191 53.191 53.012 0.179 18296 6395 1 16 . 1 1 10 10 ASN CB C 317 38.650 38.650 38.104 0.546 18296 6396 1 16 . 1 1 10 10 ASN H H 317 8.415 8.415 8.508 -0.093 18296 6397 1 16 . 1 1 11 11 ILE N N 318 122.869 122.869 120.141 2.728 18296 6398 1 16 . 1 1 11 11 ILE HA H 318 4.250 4.250 4.744 -0.494 18296 6399 1 16 . 1 1 11 11 ILE C C 318 179.506 179.506 174.288 5.218 18296 6400 1 16 . 1 1 11 11 ILE CA C 318 58.332 58.332 58.186 0.146 18296 6401 1 16 . 1 1 11 11 ILE CB C 318 38.713 38.713 39.945 -1.232 18296 6402 1 16 . 1 1 11 11 ILE H H 318 7.924 7.924 7.752 0.172 18296 6403 1 16 . 1 1 12 12 PRO HA H 319 4.359 4.359 4.440 -0.081 18296 6404 1 16 . 1 1 12 12 PRO CA C 319 61.487 61.487 64.580 -3.093 18296 6405 1 16 . 1 1 12 12 PRO CB C 319 30.960 30.960 30.020 0.940 18296 6406 1 16 . 1 1 13 13 PRO HA H 320 3.968 3.968 4.471 -0.503 18296 6407 1 16 . 1 1 13 13 PRO C C 320 176.730 176.730 175.583 1.147 18296 6408 1 16 . 1 1 13 13 PRO CA C 320 62.874 62.874 62.854 0.020 18296 6409 1 16 . 1 1 13 13 PRO CB C 320 31.948 31.948 29.753 2.195 18296 6410 1 16 . 1 1 14 14 ALA N N 321 123.469 123.469 124.133 -0.664 18296 6411 1 16 . 1 1 14 14 ALA HA H 321 3.952 3.952 4.446 -0.494 18296 6412 1 16 . 1 1 14 14 ALA C C 321 175.208 175.208 176.034 -0.826 18296 6413 1 16 . 1 1 14 14 ALA CA C 321 52.876 52.876 52.383 0.493 18296 6414 1 16 . 1 1 14 14 ALA CB C 321 18.896 18.896 20.094 -1.198 18296 6415 1 16 . 1 1 14 14 ALA H H 321 8.108 8.108 8.280 -0.172 18296 6416 1 16 . 1 1 15 15 ARG N N 322 118.725 118.725 119.033 -0.308 18296 6417 1 16 . 1 1 15 15 ARG HA H 322 3.943 3.943 4.464 -0.521 18296 6418 1 16 . 1 1 15 15 ARG C C 322 176.870 176.870 175.844 1.026 18296 6419 1 16 . 1 1 15 15 ARG CA C 322 56.737 56.737 55.716 1.021 18296 6420 1 16 . 1 1 15 15 ARG CB C 322 30.230 30.230 31.038 -0.808 18296 6421 1 16 . 1 1 15 15 ARG H H 322 8.077 8.077 8.022 0.055 18296 6422 1 16 . 1 1 16 16 TRP N N 323 120.113 120.113 121.929 -1.816 18296 6423 1 16 . 1 1 16 16 TRP HA H 323 4.471 4.471 4.964 -0.493 18296 6424 1 16 . 1 1 16 16 TRP C C 323 177.322 177.322 176.291 1.031 18296 6425 1 16 . 1 1 16 16 TRP CA C 323 57.143 57.143 55.388 1.755 18296 6426 1 16 . 1 1 16 16 TRP CB C 323 29.192 29.192 28.069 1.123 18296 6427 1 16 . 1 1 16 16 TRP H H 323 7.634 7.634 8.726 -1.093 18296 6428 1 16 . 1 1 17 17 LYS N N 324 121.400 121.400 120.333 1.067 18296 6429 1 16 . 1 1 17 17 LYS HA H 324 3.951 3.951 4.538 -0.587 18296 6430 1 16 . 1 1 17 17 LYS C C 324 179.457 179.457 175.752 3.705 18296 6431 1 16 . 1 1 17 17 LYS CA C 324 56.502 56.502 55.421 1.081 18296 6432 1 16 . 1 1 17 17 LYS CB C 324 32.867 32.867 34.832 -1.965 18296 6433 1 16 . 1 1 17 17 LYS H H 324 7.735 7.735 7.593 0.141 18296 6434 1 16 . 1 1 18 18 LEU N N 325 121.064 121.064 120.777 0.287 18296 6435 1 16 . 1 1 18 18 LEU HA H 325 4.141 4.141 4.077 0.064 18296 6436 1 16 . 1 1 18 18 LEU C C 325 176.781 176.781 175.141 1.640 18296 6437 1 16 . 1 1 18 18 LEU CA C 325 54.574 54.574 55.406 -0.832 18296 6438 1 16 . 1 1 18 18 LEU CB C 325 42.252 42.252 42.071 0.181 18296 6439 1 16 . 1 1 18 18 LEU H H 325 7.708 7.708 8.539 -0.831 18296 6440 1 16 . 1 1 19 19 THR N N 326 117.252 117.252 117.093 0.159 18296 6441 1 16 . 1 1 19 19 THR HA H 326 3.935 3.935 4.525 -0.590 18296 6442 1 16 . 1 1 19 19 THR C C 326 180.854 180.854 173.269 7.585 18296 6443 1 16 . 1 1 19 19 THR CA C 326 61.977 61.977 61.185 0.792 18296 6444 1 16 . 1 1 19 19 THR CB C 326 70.166 70.166 70.703 -0.537 18296 6445 1 16 . 1 1 19 19 THR H H 326 7.915 7.915 7.989 -0.074 18296 6446 1 16 . 1 1 20 20 CYS N N 327 127.254 127.254 123.444 3.810 18296 6447 1 16 . 1 1 20 20 CYS HA H 327 4.324 4.324 5.163 -0.839 18296 6448 1 16 . 1 1 20 20 CYS C C 327 175.898 175.898 176.692 -0.794 18296 6449 1 16 . 1 1 20 20 CYS CA C 327 57.928 57.928 56.574 1.354 18296 6450 1 16 . 1 1 20 20 CYS CB C 327 31.298 31.298 28.318 2.980 18296 6451 1 16 . 1 1 20 20 CYS H H 327 8.055 8.055 8.530 -0.475 18296 6452 1 16 . 1 1 21 21 TYR N N 328 129.752 129.752 125.019 4.733 18296 6453 1 16 . 1 1 21 21 TYR HA H 328 4.488 4.488 4.500 -0.012 18296 6454 1 16 . 1 1 21 21 TYR C C 328 178.625 178.625 175.914 2.711 18296 6455 1 16 . 1 1 21 21 TYR CA C 328 58.951 58.951 59.215 -0.264 18296 6456 1 16 . 1 1 21 21 TYR CB C 328 37.712 37.712 37.914 -0.202 18296 6457 1 16 . 1 1 21 21 TYR H H 328 9.082 9.082 8.025 1.057 18296 6458 1 16 . 1 1 22 22 LEU N N 329 124.057 124.057 118.559 5.498 18296 6459 1 16 . 1 1 22 22 LEU HA H 329 3.749 3.749 4.416 -0.667 18296 6460 1 16 . 1 1 22 22 LEU C C 329 176.268 176.268 176.712 -0.444 18296 6461 1 16 . 1 1 22 22 LEU CA C 329 56.514 56.514 54.804 1.710 18296 6462 1 16 . 1 1 22 22 LEU CB C 329 42.975 42.975 42.040 0.935 18296 6463 1 16 . 1 1 22 22 LEU H H 329 8.140 8.140 7.507 0.633 18296 6464 1 16 . 1 1 23 23 CYS N N 330 117.734 117.734 116.655 1.079 18296 6465 1 16 . 1 1 23 23 CYS HA H 330 4.741 4.741 4.682 0.059 18296 6466 1 16 . 1 1 23 23 CYS C C 330 177.769 177.769 172.749 5.020 18296 6467 1 16 . 1 1 23 23 CYS CA C 330 58.459 58.459 57.982 0.477 18296 6468 1 16 . 1 1 23 23 CYS CB C 330 30.918 30.918 31.323 -0.405 18296 6469 1 16 . 1 1 23 23 CYS H H 330 7.971 7.971 7.142 0.829 18296 6470 1 16 . 1 1 24 24 LYS N N 331 118.437 118.437 119.340 -0.903 18296 6471 1 16 . 1 1 24 24 LYS HA H 331 3.980 3.980 4.442 -0.462 18296 6472 1 16 . 1 1 24 24 LYS C C 331 178.178 178.178 175.385 2.793 18296 6473 1 16 . 1 1 24 24 LYS CA C 331 57.520 57.520 56.409 1.111 18296 6474 1 16 . 1 1 24 24 LYS CB C 331 29.278 29.278 32.970 -3.692 18296 6475 1 16 . 1 1 24 24 LYS H H 331 7.842 7.842 8.348 -0.505 18296 6476 1 16 . 1 1 25 25 GLN N N 332 118.445 118.445 119.411 -0.966 18296 6477 1 16 . 1 1 25 25 GLN HA H 332 4.574 4.574 4.469 0.105 18296 6478 1 16 . 1 1 25 25 GLN C C 332 177.619 177.619 174.650 2.969 18296 6479 1 16 . 1 1 25 25 GLN CA C 332 54.362 54.362 54.613 -0.251 18296 6480 1 16 . 1 1 25 25 GLN CB C 332 31.843 31.843 29.320 2.523 18296 6481 1 16 . 1 1 25 25 GLN H H 332 8.306 8.306 7.979 0.327 18296 6482 1 16 . 1 1 26 26 LYS N N 333 122.851 122.851 124.779 -1.928 18296 6483 1 16 . 1 1 26 26 LYS HA H 333 4.222 4.222 4.300 -0.078 18296 6484 1 16 . 1 1 26 26 LYS C C 333 175.456 175.456 176.989 -1.533 18296 6485 1 16 . 1 1 26 26 LYS CA C 333 57.729 57.729 56.492 1.237 18296 6486 1 16 . 1 1 26 26 LYS CB C 333 32.925 32.925 32.137 0.788 18296 6487 1 16 . 1 1 26 26 LYS H H 333 8.545 8.545 8.437 0.108 18296 6488 1 16 . 1 1 27 27 GLY N N 334 107.216 107.216 112.222 -5.006 18296 6489 1 16 . 1 1 27 27 GLY C C 334 180.017 180.017 173.235 6.782 18296 6490 1 16 . 1 1 27 27 GLY CA C 334 45.559 45.559 44.730 0.829 18296 6491 1 16 . 1 1 27 27 GLY H H 334 8.348 8.348 8.480 -0.132 18296 6492 1 16 . 1 1 28 28 VAL N N 335 117.437 117.437 123.806 -6.369 18296 6493 1 16 . 1 1 28 28 VAL HA H 335 4.133 4.133 4.081 0.052 18296 6494 1 16 . 1 1 28 28 VAL C C 335 177.439 177.439 176.516 0.923 18296 6495 1 16 . 1 1 28 28 VAL CA C 335 61.502 61.502 62.693 -1.191 18296 6496 1 16 . 1 1 28 28 VAL CB C 335 33.563 33.563 32.639 0.924 18296 6497 1 16 . 1 1 28 28 VAL H H 335 7.867 7.867 8.159 -0.292 18296 6498 1 16 . 1 1 29 29 GLY N N 336 110.723 110.723 109.234 1.489 18296 6499 1 16 . 1 1 29 29 GLY C C 336 180.088 180.088 173.782 6.306 18296 6500 1 16 . 1 1 29 29 GLY CA C 336 44.344 44.344 46.119 -1.775 18296 6501 1 16 . 1 1 29 29 GLY H H 336 8.186 8.186 8.526 -0.340 18296 6502 1 16 . 1 1 30 30 ALA N N 337 122.643 122.643 126.145 -3.502 18296 6503 1 16 . 1 1 30 30 ALA HA H 337 4.193 4.193 4.791 -0.598 18296 6504 1 16 . 1 1 30 30 ALA C C 337 175.274 175.274 176.143 -0.869 18296 6505 1 16 . 1 1 30 30 ALA CA C 337 52.904 52.904 51.104 1.800 18296 6506 1 16 . 1 1 30 30 ALA CB C 337 19.677 19.677 19.322 0.355 18296 6507 1 16 . 1 1 30 30 ALA H H 337 8.269 8.269 8.124 0.145 18296 6508 1 16 . 1 1 31 31 SER N N 338 117.644 117.644 119.338 -1.694 18296 6509 1 16 . 1 1 31 31 SER HA H 338 4.775 4.775 4.816 -0.041 18296 6510 1 16 . 1 1 31 31 SER C C 338 180.923 180.923 173.425 7.498 18296 6511 1 16 . 1 1 31 31 SER CA C 338 57.406 57.406 57.280 0.126 18296 6512 1 16 . 1 1 31 31 SER CB C 338 65.388 65.388 64.828 0.560 18296 6513 1 16 . 1 1 31 31 SER H H 338 8.415 8.415 8.518 -0.103 18296 6514 1 16 . 1 1 32 32 ILE N N 339 121.240 121.240 124.078 -2.838 18296 6515 1 16 . 1 1 32 32 ILE HA H 339 4.123 4.123 4.247 -0.124 18296 6516 1 16 . 1 1 32 32 ILE C C 339 181.302 181.302 173.159 8.143 18296 6517 1 16 . 1 1 32 32 ILE CA C 339 59.768 59.768 59.169 0.600 18296 6518 1 16 . 1 1 32 32 ILE CB C 339 41.252 41.252 41.717 -0.465 18296 6519 1 16 . 1 1 32 32 ILE H H 339 8.522 8.522 8.866 -0.344 18296 6520 1 16 . 1 1 33 33 GLN N N 340 120.384 120.384 126.928 -6.544 18296 6521 1 16 . 1 1 33 33 GLN HA H 340 4.335 4.335 4.942 -0.607 18296 6522 1 16 . 1 1 33 33 GLN C C 340 179.377 179.377 174.934 4.443 18296 6523 1 16 . 1 1 33 33 GLN CA C 340 53.739 53.739 54.281 -0.542 18296 6524 1 16 . 1 1 33 33 GLN CB C 340 32.179 32.179 31.343 0.836 18296 6525 1 16 . 1 1 33 33 GLN H H 340 7.720 7.720 8.250 -0.530 18296 6526 1 16 . 1 1 34 34 CYS N N 341 125.463 125.463 127.156 -1.693 18296 6527 1 16 . 1 1 34 34 CYS HA H 341 4.036 4.036 4.742 -0.706 18296 6528 1 16 . 1 1 34 34 CYS C C 341 178.269 178.269 176.243 2.026 18296 6529 1 16 . 1 1 34 34 CYS CA C 341 60.992 60.992 58.893 2.099 18296 6530 1 16 . 1 1 34 34 CYS CB C 341 32.346 32.346 28.080 4.266 18296 6531 1 16 . 1 1 34 34 CYS H H 341 8.292 8.292 8.816 -0.524 18296 6532 1 16 . 1 1 35 35 HIS N N 342 126.611 126.611 127.181 -0.570 18296 6533 1 16 . 1 1 35 35 HIS HA H 342 4.128 4.128 4.273 -0.145 18296 6534 1 16 . 1 1 35 35 HIS CA C 342 57.556 57.556 57.148 0.408 18296 6535 1 16 . 1 1 35 35 HIS CB C 342 29.945 29.945 31.111 -1.167 18296 6536 1 16 . 1 1 35 35 HIS H H 342 8.722 8.722 8.415 0.307 18296 6537 1 16 . 1 1 36 36 LYS N N 343 124.049 124.049 116.201 7.848 18296 6538 1 16 . 1 1 36 36 LYS HA H 343 3.940 3.940 3.986 -0.046 18296 6539 1 16 . 1 1 36 36 LYS C C 343 176.701 176.701 176.002 0.699 18296 6540 1 16 . 1 1 36 36 LYS CA C 343 56.155 56.155 56.574 -0.419 18296 6541 1 16 . 1 1 36 36 LYS CB C 343 33.033 33.033 32.484 0.549 18296 6542 1 16 . 1 1 36 36 LYS H H 343 8.567 8.567 8.341 0.226 18296 6543 1 16 . 1 1 37 37 ALA N N 344 130.751 130.751 128.414 2.337 18296 6544 1 16 . 1 1 37 37 ALA HA H 344 3.733 3.733 3.319 0.414 18296 6545 1 16 . 1 1 37 37 ALA C C 344 175.302 175.302 177.750 -2.448 18296 6546 1 16 . 1 1 37 37 ALA CA C 344 53.917 53.917 53.894 0.023 18296 6547 1 16 . 1 1 37 37 ALA CB C 344 18.206 18.206 18.431 -0.225 18296 6548 1 16 . 1 1 37 37 ALA H H 344 8.363 8.363 8.502 -0.139 18296 6549 1 16 . 1 1 38 38 ASN N N 345 114.094 114.094 115.987 -1.893 18296 6550 1 16 . 1 1 38 38 ASN HA H 345 3.885 3.885 4.651 -0.766 18296 6551 1 16 . 1 1 38 38 ASN C C 345 181.195 181.195 176.482 4.713 18296 6552 1 16 . 1 1 38 38 ASN CA C 345 53.606 53.606 54.817 -1.211 18296 6553 1 16 . 1 1 38 38 ASN CB C 345 37.443 37.443 38.744 -1.301 18296 6554 1 16 . 1 1 38 38 ASN H H 345 8.292 8.292 8.518 -0.226 18296 6555 1 16 . 1 1 39 39 CYS N N 346 121.417 121.417 118.710 2.707 18296 6556 1 16 . 1 1 39 39 CYS C C 346 178.723 178.723 175.816 2.907 18296 6557 1 16 . 1 1 39 39 CYS H H 346 7.283 7.283 7.814 -0.531 18296 6558 1 16 . 1 1 40 40 TYR HA H 347 4.212 4.212 4.302 -0.090 18296 6559 1 16 . 1 1 40 40 TYR C C 347 178.156 178.156 174.494 3.662 18296 6560 1 16 . 1 1 40 40 TYR CA C 347 56.478 56.478 59.196 -2.718 18296 6561 1 16 . 1 1 40 40 TYR CB C 347 37.446 37.446 35.817 1.629 18296 6562 1 16 . 1 1 40 40 TYR H H 347 7.923 7.923 8.222 -0.299 18296 6563 1 16 . 1 1 41 41 THR N N 348 122.674 122.674 116.647 6.027 18296 6564 1 16 . 1 1 41 41 THR HA H 348 3.806 3.806 4.738 -0.932 18296 6565 1 16 . 1 1 41 41 THR C C 348 182.343 182.343 173.290 9.053 18296 6566 1 16 . 1 1 41 41 THR CA C 348 64.932 64.932 61.891 3.041 18296 6567 1 16 . 1 1 41 41 THR CB C 348 68.772 68.772 70.850 -2.078 18296 6568 1 16 . 1 1 41 41 THR H H 348 8.421 8.421 7.823 0.598 18296 6569 1 16 . 1 1 42 42 ALA N N 349 130.177 130.177 127.444 2.733 18296 6570 1 16 . 1 1 42 42 ALA HA H 349 4.967 4.967 5.252 -0.285 18296 6571 1 16 . 1 1 42 42 ALA C C 349 176.955 176.955 175.973 0.982 18296 6572 1 16 . 1 1 42 42 ALA CA C 349 49.997 49.997 50.861 -0.864 18296 6573 1 16 . 1 1 42 42 ALA CB C 349 23.467 23.467 21.693 1.774 18296 6574 1 16 . 1 1 42 42 ALA H H 349 8.856 8.856 8.831 0.025 18296 6575 1 16 . 1 1 43 43 PHE N N 350 113.053 113.053 119.170 -6.117 18296 6576 1 16 . 1 1 43 43 PHE HA H 350 5.525 5.525 4.736 0.789 18296 6577 1 16 . 1 1 43 43 PHE C C 350 177.894 177.894 173.228 4.666 18296 6578 1 16 . 1 1 43 43 PHE CA C 350 53.625 53.625 56.143 -2.518 18296 6579 1 16 . 1 1 43 43 PHE CB C 350 39.459 39.459 40.612 -1.153 18296 6580 1 16 . 1 1 43 43 PHE H H 350 7.912 7.912 8.998 -1.086 18296 6581 1 16 . 1 1 44 44 HIS N N 351 118.497 118.497 118.695 -0.198 18296 6582 1 16 . 1 1 44 44 HIS HA H 351 4.892 4.892 5.003 -0.111 18296 6583 1 16 . 1 1 44 44 HIS C C 351 176.371 176.371 176.914 -0.543 18296 6584 1 16 . 1 1 44 44 HIS CA C 351 58.019 58.019 55.913 2.106 18296 6585 1 16 . 1 1 44 44 HIS CB C 351 31.716 31.716 30.621 1.095 18296 6586 1 16 . 1 1 44 44 HIS H H 351 9.335 9.335 8.470 0.865 18296 6587 1 16 . 1 1 45 45 VAL N N 352 124.407 124.407 121.755 2.652 18296 6588 1 16 . 1 1 45 45 VAL HA H 352 3.476 3.476 3.585 -0.109 18296 6589 1 16 . 1 1 45 45 VAL C C 352 175.305 175.305 177.643 -2.338 18296 6590 1 16 . 1 1 45 45 VAL CA C 352 67.359 67.359 66.857 0.502 18296 6591 1 16 . 1 1 45 45 VAL CB C 352 31.627 31.627 31.749 -0.122 18296 6592 1 16 . 1 1 45 45 VAL H H 352 8.654 8.654 8.343 0.311 18296 6593 1 16 . 1 1 46 46 THR N N 353 111.166 111.166 114.871 -3.705 18296 6594 1 16 . 1 1 46 46 THR HA H 353 3.997 3.997 4.006 -0.009 18296 6595 1 16 . 1 1 46 46 THR C C 353 175.010 175.010 175.937 -0.927 18296 6596 1 16 . 1 1 46 46 THR CA C 353 65.008 65.008 65.726 -0.718 18296 6597 1 16 . 1 1 46 46 THR CB C 353 67.830 67.830 68.329 -0.499 18296 6598 1 16 . 1 1 46 46 THR H H 353 8.370 8.370 8.388 -0.018 18296 6599 1 16 . 1 1 47 47 CYS N N 354 120.975 120.975 119.421 1.554 18296 6600 1 16 . 1 1 47 47 CYS HA H 354 3.762 3.762 4.329 -0.567 18296 6601 1 16 . 1 1 47 47 CYS C C 354 175.912 175.912 177.019 -1.107 18296 6602 1 16 . 1 1 47 47 CYS CA C 354 63.372 63.372 62.439 0.933 18296 6603 1 16 . 1 1 47 47 CYS CB C 354 29.076 29.076 25.733 3.343 18296 6604 1 16 . 1 1 47 47 CYS H H 354 6.668 6.668 8.463 -1.795 18296 6605 1 16 . 1 1 48 48 ALA N N 355 123.247 123.247 123.327 -0.080 18296 6606 1 16 . 1 1 48 48 ALA HA H 355 3.511 3.511 4.126 -0.615 18296 6607 1 16 . 1 1 48 48 ALA C C 355 174.031 174.031 179.596 -5.565 18296 6608 1 16 . 1 1 48 48 ALA CA C 355 55.045 55.045 55.307 -0.262 18296 6609 1 16 . 1 1 48 48 ALA CB C 355 19.962 19.962 18.720 1.242 18296 6610 1 16 . 1 1 48 48 ALA H H 355 8.481 8.481 7.955 0.526 18296 6611 1 16 . 1 1 49 49 GLN N N 356 118.150 118.150 117.510 0.640 18296 6612 1 16 . 1 1 49 49 GLN HA H 356 4.003 4.003 4.038 -0.035 18296 6613 1 16 . 1 1 49 49 GLN C C 356 173.755 173.755 178.544 -4.789 18296 6614 1 16 . 1 1 49 49 GLN CA C 356 58.728 58.728 58.416 0.312 18296 6615 1 16 . 1 1 49 49 GLN CB C 356 28.196 28.196 28.805 -0.609 18296 6616 1 16 . 1 1 49 49 GLN H H 356 8.055 8.055 7.860 0.195 18296 6617 1 16 . 1 1 50 50 LYS N N 357 120.248 120.248 118.344 1.904 18296 6618 1 16 . 1 1 50 50 LYS HA H 357 3.866 3.866 4.257 -0.391 18296 6619 1 16 . 1 1 50 50 LYS C C 357 175.624 175.624 178.069 -2.445 18296 6620 1 16 . 1 1 50 50 LYS CA C 357 58.989 58.989 57.239 1.750 18296 6621 1 16 . 1 1 50 50 LYS CB C 357 32.377 32.377 32.397 -0.020 18296 6622 1 16 . 1 1 50 50 LYS H H 357 7.628 7.628 7.846 -0.218 18296 6623 1 16 . 1 1 51 51 ALA N N 358 118.343 118.343 119.775 -1.432 18296 6624 1 16 . 1 1 51 51 ALA HA H 358 4.138 4.138 4.319 -0.181 18296 6625 1 16 . 1 1 51 51 ALA C C 358 176.132 176.132 178.506 -2.374 18296 6626 1 16 . 1 1 51 51 ALA CA C 358 52.263 52.263 53.129 -0.866 18296 6627 1 16 . 1 1 51 51 ALA CB C 358 19.690 19.690 19.504 0.186 18296 6628 1 16 . 1 1 51 51 ALA H H 358 7.558 7.558 7.675 -0.117 18296 6629 1 16 . 1 1 52 52 GLY N N 359 107.058 107.058 106.723 0.335 18296 6630 1 16 . 1 1 52 52 GLY C C 359 178.221 178.221 174.513 3.708 18296 6631 1 16 . 1 1 52 52 GLY CA C 359 46.323 46.323 45.007 1.316 18296 6632 1 16 . 1 1 52 52 GLY H H 359 7.481 7.481 8.193 -0.712 18296 6633 1 16 . 1 1 53 53 LEU N N 360 118.335 118.335 116.147 2.188 18296 6634 1 16 . 1 1 53 53 LEU HA H 360 4.002 4.002 4.658 -0.656 18296 6635 1 16 . 1 1 53 53 LEU C C 360 176.917 176.917 176.538 0.379 18296 6636 1 16 . 1 1 53 53 LEU CA C 360 54.926 54.926 53.918 1.008 18296 6637 1 16 . 1 1 53 53 LEU CB C 360 39.949 39.949 42.574 -2.624 18296 6638 1 16 . 1 1 53 53 LEU H H 360 7.502 7.502 7.317 0.185 18296 6639 1 16 . 1 1 54 54 TYR N N 361 124.191 124.191 121.016 3.175 18296 6640 1 16 . 1 1 54 54 TYR HA H 361 4.024 4.024 4.461 -0.437 18296 6641 1 16 . 1 1 54 54 TYR C C 361 178.584 178.584 175.036 3.548 18296 6642 1 16 . 1 1 54 54 TYR CA C 361 59.385 59.385 59.677 -0.292 18296 6643 1 16 . 1 1 54 54 TYR CB C 361 39.068 39.068 39.693 -0.625 18296 6644 1 16 . 1 1 54 54 TYR H H 361 9.307 9.307 8.557 0.750 18296 6645 1 16 . 1 1 55 55 MET N N 362 127.473 127.473 127.402 0.071 18296 6646 1 16 . 1 1 55 55 MET HA H 362 4.953 4.953 4.581 0.372 18296 6647 1 16 . 1 1 55 55 MET C C 362 179.342 179.342 174.244 5.098 18296 6648 1 16 . 1 1 55 55 MET CA C 362 54.918 54.918 53.864 1.054 18296 6649 1 16 . 1 1 55 55 MET CB C 362 35.857 35.857 35.059 0.798 18296 6650 1 16 . 1 1 55 55 MET H H 362 7.575 7.575 7.692 -0.117 18296 6651 1 16 . 1 1 56 56 LYS N N 363 124.429 124.429 125.487 -1.058 18296 6652 1 16 . 1 1 56 56 LYS HA H 363 4.339 4.339 4.356 -0.017 18296 6653 1 16 . 1 1 56 56 LYS C C 363 178.541 178.541 175.194 3.347 18296 6654 1 16 . 1 1 56 56 LYS CA C 363 54.939 54.939 55.293 -0.354 18296 6655 1 16 . 1 1 56 56 LYS CB C 363 35.977 35.977 34.634 1.343 18296 6656 1 16 . 1 1 56 56 LYS H H 363 8.575 8.575 8.200 0.375 18296 6657 1 16 . 1 1 57 57 MET N N 364 123.350 123.350 121.137 2.213 18296 6658 1 16 . 1 1 57 57 MET HA H 364 4.801 4.801 4.698 0.103 18296 6659 1 16 . 1 1 57 57 MET C C 364 178.016 178.016 175.460 2.556 18296 6660 1 16 . 1 1 57 57 MET CA C 364 54.111 54.111 54.663 -0.552 18296 6661 1 16 . 1 1 57 57 MET H H 364 8.484 8.484 8.463 0.021 18296 6662 1 16 . 1 1 58 58 GLU N N 365 121.319 121.319 119.432 1.887 18296 6663 1 16 . 1 1 58 58 GLU H H 365 8.193 8.193 8.612 -0.419 18296 6664 1 16 . 1 1 59 59 PRO HA H 366 4.665 4.665 4.445 0.220 18296 6665 1 16 . 1 1 59 59 PRO C C 366 176.742 176.742 176.370 0.372 18296 6666 1 16 . 1 1 59 59 PRO CA C 366 62.524 62.524 62.253 0.271 18296 6667 1 16 . 1 1 59 59 PRO CB C 366 32.125 32.125 32.355 -0.230 18296 6668 1 16 . 1 1 60 60 VAL N N 367 122.754 122.754 118.342 4.412 18296 6669 1 16 . 1 1 60 60 VAL HA H 367 4.105 4.105 4.362 -0.257 18296 6670 1 16 . 1 1 60 60 VAL C C 367 178.435 178.435 174.376 4.059 18296 6671 1 16 . 1 1 60 60 VAL CA C 367 61.529 61.529 60.819 0.710 18296 6672 1 16 . 1 1 60 60 VAL CB C 367 34.057 34.057 32.981 1.076 18296 6673 1 16 . 1 1 60 60 VAL H H 367 8.509 8.509 8.592 -0.083 18296 6674 1 16 . 1 1 61 61 LYS N N 368 126.381 126.381 126.975 -0.594 18296 6675 1 16 . 1 1 61 61 LYS HA H 368 4.180 4.180 4.183 -0.003 18296 6676 1 16 . 1 1 61 61 LYS C C 368 177.499 177.499 176.650 0.849 18296 6677 1 16 . 1 1 61 61 LYS CA C 368 56.047 56.047 55.744 0.303 18296 6678 1 16 . 1 1 61 61 LYS CB C 368 33.313 33.313 33.217 0.096 18296 6679 1 16 . 1 1 61 61 LYS H H 368 8.379 8.379 8.210 0.169 18296 6680 1 16 . 1 1 62 62 GLU N N 369 123.927 123.927 118.370 5.557 18296 6681 1 16 . 1 1 62 62 GLU HA H 369 4.246 4.246 4.100 0.146 18296 6682 1 16 . 1 1 62 62 GLU C C 369 177.861 177.861 176.383 1.478 18296 6683 1 16 . 1 1 62 62 GLU CA C 369 55.596 55.596 56.979 -1.383 18296 6684 1 16 . 1 1 62 62 GLU CB C 369 31.289 31.289 30.285 1.004 18296 6685 1 16 . 1 1 62 62 GLU H H 369 8.355 8.355 8.402 -0.047 18296 6686 1 16 . 1 1 63 63 LEU N N 370 124.406 124.406 120.189 4.217 18296 6687 1 16 . 1 1 63 63 LEU HA H 370 4.356 4.356 4.561 -0.205 18296 6688 1 16 . 1 1 63 63 LEU C C 370 176.026 176.026 177.246 -1.220 18296 6689 1 16 . 1 1 63 63 LEU CA C 370 55.223 55.223 57.146 -1.923 18296 6690 1 16 . 1 1 63 63 LEU CB C 370 42.061 42.061 42.724 -0.663 18296 6691 1 16 . 1 1 63 63 LEU H H 370 8.419 8.419 8.526 -0.107 18296 6692 1 16 . 1 1 64 64 THR N N 371 114.722 114.722 109.932 4.790 18296 6693 1 16 . 1 1 64 64 THR HA H 371 4.306 4.306 4.335 -0.029 18296 6694 1 16 . 1 1 64 64 THR C C 371 178.158 178.158 174.599 3.559 18296 6695 1 16 . 1 1 64 64 THR CA C 371 61.196 61.196 62.330 -1.134 18296 6696 1 16 . 1 1 64 64 THR CB C 371 70.416 70.416 70.673 -0.257 18296 6697 1 16 . 1 1 64 64 THR H H 371 7.966 7.966 7.589 0.377 18296 6698 1 16 . 1 1 65 65 GLY N N 372 111.711 111.711 110.771 0.940 18296 6699 1 16 . 1 1 65 65 GLY C C 372 178.512 178.512 173.838 4.674 18296 6700 1 16 . 1 1 65 65 GLY CA C 372 46.227 46.227 45.369 0.858 18296 6701 1 16 . 1 1 65 65 GLY H H 372 8.565 8.565 8.126 0.439 18296 6702 1 16 . 1 1 66 66 GLY N N 373 108.771 108.771 109.400 -0.629 18296 6703 1 16 . 1 1 66 66 GLY C C 373 178.999 178.999 175.926 3.073 18296 6704 1 16 . 1 1 66 66 GLY CA C 373 45.287 45.287 45.990 -0.704 18296 6705 1 16 . 1 1 66 66 GLY H H 373 8.227 8.227 8.093 0.134 18296 6706 1 16 . 1 1 67 67 GLY N N 374 108.901 108.901 109.542 -0.641 18296 6707 1 16 . 1 1 67 67 GLY C C 374 179.721 179.721 174.104 5.617 18296 6708 1 16 . 1 1 67 67 GLY CA C 374 44.987 44.987 46.038 -1.051 18296 6709 1 16 . 1 1 67 67 GLY H H 374 7.876 7.876 8.391 -0.515 18296 6710 1 16 . 1 1 68 68 THR N N 375 114.505 114.505 113.959 0.546 18296 6711 1 16 . 1 1 68 68 THR HA H 375 4.450 4.450 4.203 0.247 18296 6712 1 16 . 1 1 68 68 THR C C 375 178.997 178.997 172.864 6.133 18296 6713 1 16 . 1 1 68 68 THR CA C 375 61.900 61.900 62.922 -1.022 18296 6714 1 16 . 1 1 68 68 THR CB C 375 70.047 70.047 69.294 0.753 18296 6715 1 16 . 1 1 68 68 THR H H 375 8.112 8.112 7.836 0.276 18296 6716 1 16 . 1 1 69 69 THR N N 376 118.054 118.054 115.507 2.547 18296 6717 1 16 . 1 1 69 69 THR HA H 376 4.302 4.302 4.544 -0.242 18296 6718 1 16 . 1 1 69 69 THR C C 376 180.403 180.403 173.080 7.323 18296 6719 1 16 . 1 1 69 69 THR CA C 376 61.114 61.114 61.092 0.022 18296 6720 1 16 . 1 1 69 69 THR CB C 376 70.422 70.422 70.938 -0.516 18296 6721 1 16 . 1 1 69 69 THR H H 376 8.259 8.259 7.922 0.337 18296 6722 1 16 . 1 1 70 70 PHE N N 377 122.009 122.009 127.535 -5.526 18296 6723 1 16 . 1 1 70 70 PHE HA H 377 4.910 4.910 4.620 0.290 18296 6724 1 16 . 1 1 70 70 PHE C C 377 177.972 177.972 175.242 2.730 18296 6725 1 16 . 1 1 70 70 PHE CA C 377 57.227 57.227 58.564 -1.337 18296 6726 1 16 . 1 1 70 70 PHE CB C 377 40.873 40.873 39.961 0.912 18296 6727 1 16 . 1 1 70 70 PHE H H 377 8.351 8.351 8.714 -0.363 18296 6728 1 16 . 1 1 71 71 SER N N 378 117.853 117.853 121.692 -3.839 18296 6729 1 16 . 1 1 71 71 SER HA H 378 4.493 4.493 4.777 -0.284 18296 6730 1 16 . 1 1 71 71 SER C C 378 180.063 180.063 172.121 7.942 18296 6731 1 16 . 1 1 71 71 SER CA C 378 57.276 57.276 58.418 -1.142 18296 6732 1 16 . 1 1 71 71 SER CB C 378 64.612 64.612 65.778 -1.165 18296 6733 1 16 . 1 1 71 71 SER H H 378 8.519 8.519 8.056 0.463 18296 6734 1 16 . 1 1 72 72 VAL N N 379 120.162 120.162 121.080 -0.918 18296 6735 1 16 . 1 1 72 72 VAL HA H 379 4.441 4.441 4.331 0.110 18296 6736 1 16 . 1 1 72 72 VAL C C 379 178.192 178.192 174.828 3.364 18296 6737 1 16 . 1 1 72 72 VAL CA C 379 61.369 61.369 61.587 -0.218 18296 6738 1 16 . 1 1 72 72 VAL CB C 379 33.944 33.944 35.029 -1.085 18296 6739 1 16 . 1 1 72 72 VAL H H 379 8.277 8.277 8.358 -0.081 18296 6740 1 16 . 1 1 73 73 ARG N N 380 126.538 126.538 125.382 1.156 18296 6741 1 16 . 1 1 73 73 ARG HA H 380 4.430 4.430 4.658 -0.228 18296 6742 1 16 . 1 1 73 73 ARG C C 380 177.524 177.524 174.502 3.022 18296 6743 1 16 . 1 1 73 73 ARG CA C 380 54.744 54.744 54.969 -0.225 18296 6744 1 16 . 1 1 73 73 ARG CB C 380 32.635 32.635 31.979 0.656 18296 6745 1 16 . 1 1 73 73 ARG H H 380 8.727 8.727 8.142 0.585 18296 6746 1 16 . 1 1 74 74 LYS N N 381 126.485 126.485 123.872 2.613 18296 6747 1 16 . 1 1 74 74 LYS HA H 381 4.613 4.613 4.538 0.075 18296 6748 1 16 . 1 1 74 74 LYS C C 381 178.050 178.050 175.836 2.214 18296 6749 1 16 . 1 1 74 74 LYS CA C 381 56.325 56.325 55.281 1.044 18296 6750 1 16 . 1 1 74 74 LYS CB C 381 33.149 33.149 34.905 -1.756 18296 6751 1 16 . 1 1 74 74 LYS H H 381 8.636 8.636 8.334 0.302 18296 6752 1 16 . 1 1 75 75 THR N N 382 120.767 120.767 119.939 0.828 18296 6753 1 16 . 1 1 75 75 THR HA H 382 3.791 3.791 4.247 -0.456 18296 6754 1 16 . 1 1 75 75 THR C C 382 181.578 181.578 172.579 8.999 18296 6755 1 16 . 1 1 75 75 THR CA C 382 61.703 61.703 61.858 -0.155 18296 6756 1 16 . 1 1 75 75 THR CB C 382 70.771 70.771 69.153 1.618 18296 6757 1 16 . 1 1 75 75 THR H H 382 8.544 8.544 8.385 0.159 18296 6758 1 16 . 1 1 76 76 ALA N N 383 126.390 126.390 129.122 -2.732 18296 6759 1 16 . 1 1 76 76 ALA HA H 383 5.358 5.358 4.694 0.664 18296 6760 1 16 . 1 1 76 76 ALA C C 383 178.931 178.931 175.812 3.119 18296 6761 1 16 . 1 1 76 76 ALA CA C 383 50.669 50.669 50.941 -0.272 18296 6762 1 16 . 1 1 76 76 ALA CB C 383 24.682 24.682 20.613 4.069 18296 6763 1 16 . 1 1 76 76 ALA H H 383 7.981 7.981 8.136 -0.155 18296 6764 1 16 . 1 1 77 77 TYR N N 384 116.182 116.182 123.380 -7.198 18296 6765 1 16 . 1 1 77 77 TYR HA H 384 5.920 5.920 4.693 1.227 18296 6766 1 16 . 1 1 77 77 TYR C C 384 177.384 177.384 176.657 0.727 18296 6767 1 16 . 1 1 77 77 TYR CA C 384 56.234 56.234 57.655 -1.421 18296 6768 1 16 . 1 1 77 77 TYR CB C 384 43.201 43.201 40.031 3.170 18296 6769 1 16 . 1 1 77 77 TYR H H 384 7.899 7.899 8.088 -0.189 18296 6770 1 16 . 1 1 78 78 CYS N N 385 121.146 121.146 118.881 2.265 18296 6771 1 16 . 1 1 78 78 CYS HA H 385 4.312 4.312 4.074 0.238 18296 6772 1 16 . 1 1 78 78 CYS C C 385 178.543 178.543 176.699 1.844 18296 6773 1 16 . 1 1 78 78 CYS CA C 385 58.293 58.293 57.879 0.414 18296 6774 1 16 . 1 1 78 78 CYS CB C 385 29.815 29.815 29.194 0.621 18296 6775 1 16 . 1 1 78 78 CYS H H 385 9.855 9.855 8.409 1.446 18296 6776 1 16 . 1 1 79 79 ASP N N 386 115.334 115.334 121.043 -5.709 18296 6777 1 16 . 1 1 79 79 ASP HA H 386 3.946 3.946 4.363 -0.417 18296 6778 1 16 . 1 1 79 79 ASP C C 386 175.510 175.510 177.388 -1.878 18296 6779 1 16 . 1 1 79 79 ASP CA C 386 57.118 57.118 56.395 0.723 18296 6780 1 16 . 1 1 79 79 ASP CB C 386 40.495 40.495 40.451 0.044 18296 6781 1 16 . 1 1 79 79 ASP H H 386 7.657 7.657 8.410 -0.753 18296 6782 1 16 . 1 1 80 80 VAL N N 387 119.872 119.872 117.105 2.767 18296 6783 1 16 . 1 1 80 80 VAL HA H 387 3.579 3.579 4.024 -0.445 18296 6784 1 16 . 1 1 80 80 VAL C C 387 176.437 176.437 175.595 0.842 18296 6785 1 16 . 1 1 80 80 VAL CA C 387 64.272 64.272 62.199 2.073 18296 6786 1 16 . 1 1 80 80 VAL CB C 387 31.798 31.798 31.446 0.352 18296 6787 1 16 . 1 1 80 80 VAL H H 387 7.601 7.601 7.469 0.132 18296 6788 1 16 . 1 1 81 81 HIS N N 388 119.244 119.244 117.582 1.662 18296 6789 1 16 . 1 1 81 81 HIS HA H 388 4.632 4.632 4.617 0.015 18296 6790 1 16 . 1 1 81 81 HIS C C 388 180.644 180.644 176.123 4.521 18296 6791 1 16 . 1 1 81 81 HIS CA C 388 56.212 56.212 57.753 -1.541 18296 6792 1 16 . 1 1 81 81 HIS CB C 388 31.774 31.774 31.692 0.082 18296 6793 1 16 . 1 1 81 81 HIS H H 388 7.385 7.385 7.702 -0.317 18296 6794 1 16 . 1 1 82 82 THR N N 389 117.899 117.899 114.767 3.132 18296 6795 1 16 . 1 1 82 82 THR HA H 389 3.733 3.733 4.474 -0.741 18296 6796 1 16 . 1 1 82 82 THR C C 389 181.155 181.155 173.931 7.224 18296 6797 1 16 . 1 1 82 82 THR CA C 389 61.844 61.844 64.016 -2.172 18296 6798 1 16 . 1 1 82 82 THR CB C 389 70.285 70.285 68.687 1.598 18296 6799 1 16 . 1 1 82 82 THR H H 389 7.133 7.133 7.658 -0.525 18296 6800 1 16 . 1 1 83 83 PRO HA H 390 4.192 4.192 4.429 -0.237 18296 6801 1 16 . 1 1 83 83 PRO CA C 390 61.509 61.509 63.787 -2.278 18296 6802 1 16 . 1 1 83 83 PRO CB C 390 30.773 30.773 30.371 0.402 18296 6803 1 16 . 1 1 84 84 PRO HA H 391 4.220 4.220 4.431 -0.211 18296 6804 1 16 . 1 1 84 84 PRO C C 391 175.949 175.949 176.732 -0.783 18296 6805 1 16 . 1 1 84 84 PRO CA C 391 63.032 63.032 62.873 0.159 18296 6806 1 16 . 1 1 84 84 PRO CB C 391 31.983 31.983 31.690 0.293 18296 6807 1 16 . 1 1 85 85 GLY N N 392 109.626 109.626 111.369 -1.743 18296 6808 1 16 . 1 1 85 85 GLY C C 392 179.223 179.223 174.941 4.282 18296 6809 1 16 . 1 1 85 85 GLY CA C 392 45.359 45.359 45.261 0.098 18296 6810 1 16 . 1 1 85 85 GLY H H 392 8.367 8.367 8.477 -0.110 18296 6811 1 16 . 1 1 86 86 SER N N 393 115.675 115.675 115.344 0.331 18296 6812 1 16 . 1 1 86 86 SER HA H 393 4.354 4.354 4.667 -0.313 18296 6813 1 16 . 1 1 86 86 SER C C 393 179.569 179.569 174.783 4.786 18296 6814 1 16 . 1 1 86 86 SER CA C 393 58.521 58.521 58.146 0.375 18296 6815 1 16 . 1 1 86 86 SER CB C 393 63.913 63.913 63.473 0.440 18296 6816 1 16 . 1 1 86 86 SER H H 393 8.022 8.022 7.872 0.150 18296 6817 1 17 . 1 1 10 10 ASN N N 317 120.101 120.101 118.929 1.172 18296 6818 1 17 . 1 1 10 10 ASN HA H 317 4.501 4.501 4.978 -0.477 18296 6819 1 17 . 1 1 10 10 ASN C C 317 179.015 179.015 173.519 5.496 18296 6820 1 17 . 1 1 10 10 ASN CA C 317 53.191 53.191 53.270 -0.079 18296 6821 1 17 . 1 1 10 10 ASN CB C 317 38.650 38.650 40.204 -1.554 18296 6822 1 17 . 1 1 10 10 ASN H H 317 8.415 8.415 8.292 0.123 18296 6823 1 17 . 1 1 11 11 ILE N N 318 122.869 122.869 119.409 3.460 18296 6824 1 17 . 1 1 11 11 ILE HA H 318 4.250 4.250 4.565 -0.315 18296 6825 1 17 . 1 1 11 11 ILE C C 318 179.506 179.506 173.713 5.793 18296 6826 1 17 . 1 1 11 11 ILE CA C 318 58.332 58.332 58.375 -0.043 18296 6827 1 17 . 1 1 11 11 ILE CB C 318 38.713 38.713 36.979 1.734 18296 6828 1 17 . 1 1 11 11 ILE H H 318 7.924 7.924 7.793 0.131 18296 6829 1 17 . 1 1 12 12 PRO HA H 319 4.359 4.359 4.490 -0.131 18296 6830 1 17 . 1 1 12 12 PRO CA C 319 61.487 61.487 62.473 -0.986 18296 6831 1 17 . 1 1 12 12 PRO CB C 319 30.960 30.960 31.430 -0.471 18296 6832 1 17 . 1 1 13 13 PRO HA H 320 3.968 3.968 4.483 -0.515 18296 6833 1 17 . 1 1 13 13 PRO C C 320 176.730 176.730 176.353 0.377 18296 6834 1 17 . 1 1 13 13 PRO CA C 320 62.874 62.874 63.016 -0.142 18296 6835 1 17 . 1 1 13 13 PRO CB C 320 31.948 31.948 32.396 -0.448 18296 6836 1 17 . 1 1 14 14 ALA N N 321 123.469 123.469 125.691 -2.222 18296 6837 1 17 . 1 1 14 14 ALA HA H 321 3.952 3.952 4.596 -0.644 18296 6838 1 17 . 1 1 14 14 ALA C C 321 175.208 175.208 177.707 -2.499 18296 6839 1 17 . 1 1 14 14 ALA CA C 321 52.876 52.876 52.782 0.094 18296 6840 1 17 . 1 1 14 14 ALA CB C 321 18.896 18.896 20.111 -1.215 18296 6841 1 17 . 1 1 14 14 ALA H H 321 8.108 8.108 8.187 -0.079 18296 6842 1 17 . 1 1 15 15 ARG N N 322 118.725 118.725 123.825 -5.100 18296 6843 1 17 . 1 1 15 15 ARG HA H 322 3.943 3.943 4.449 -0.506 18296 6844 1 17 . 1 1 15 15 ARG C C 322 176.870 176.870 175.712 1.158 18296 6845 1 17 . 1 1 15 15 ARG CA C 322 56.737 56.737 56.180 0.557 18296 6846 1 17 . 1 1 15 15 ARG CB C 322 30.230 30.230 29.487 0.743 18296 6847 1 17 . 1 1 15 15 ARG H H 322 8.077 8.077 8.540 -0.463 18296 6848 1 17 . 1 1 16 16 TRP N N 323 120.113 120.113 121.346 -1.233 18296 6849 1 17 . 1 1 16 16 TRP HA H 323 4.471 4.471 4.954 -0.483 18296 6850 1 17 . 1 1 16 16 TRP C C 323 177.322 177.322 174.686 2.636 18296 6851 1 17 . 1 1 16 16 TRP CA C 323 57.143 57.143 54.558 2.585 18296 6852 1 17 . 1 1 16 16 TRP CB C 323 29.192 29.192 28.943 0.249 18296 6853 1 17 . 1 1 16 16 TRP H H 323 7.634 7.634 7.727 -0.093 18296 6854 1 17 . 1 1 17 17 LYS N N 324 121.400 121.400 122.219 -0.819 18296 6855 1 17 . 1 1 17 17 LYS HA H 324 3.951 3.951 4.191 -0.240 18296 6856 1 17 . 1 1 17 17 LYS C C 324 179.457 179.457 175.415 4.042 18296 6857 1 17 . 1 1 17 17 LYS CA C 324 56.502 56.502 55.472 1.030 18296 6858 1 17 . 1 1 17 17 LYS CB C 324 32.867 32.867 33.252 -0.385 18296 6859 1 17 . 1 1 17 17 LYS H H 324 7.735 7.735 7.838 -0.103 18296 6860 1 17 . 1 1 18 18 LEU N N 325 121.064 121.064 128.822 -7.758 18296 6861 1 17 . 1 1 18 18 LEU HA H 325 4.141 4.141 4.566 -0.425 18296 6862 1 17 . 1 1 18 18 LEU C C 325 176.781 176.781 175.893 0.888 18296 6863 1 17 . 1 1 18 18 LEU CA C 325 54.574 54.574 53.824 0.750 18296 6864 1 17 . 1 1 18 18 LEU CB C 325 42.252 42.252 42.011 0.241 18296 6865 1 17 . 1 1 18 18 LEU H H 325 7.708 7.708 8.567 -0.859 18296 6866 1 17 . 1 1 19 19 THR N N 326 117.252 117.252 119.532 -2.280 18296 6867 1 17 . 1 1 19 19 THR HA H 326 3.935 3.935 4.390 -0.455 18296 6868 1 17 . 1 1 19 19 THR C C 326 180.854 180.854 173.178 7.676 18296 6869 1 17 . 1 1 19 19 THR CA C 326 61.977 61.977 61.507 0.470 18296 6870 1 17 . 1 1 19 19 THR CB C 326 70.166 70.166 69.757 0.409 18296 6871 1 17 . 1 1 19 19 THR H H 326 7.915 7.915 8.143 -0.228 18296 6872 1 17 . 1 1 20 20 CYS N N 327 127.254 127.254 124.511 2.743 18296 6873 1 17 . 1 1 20 20 CYS HA H 327 4.324 4.324 5.119 -0.795 18296 6874 1 17 . 1 1 20 20 CYS C C 327 175.898 175.898 176.090 -0.192 18296 6875 1 17 . 1 1 20 20 CYS CA C 327 57.928 57.928 57.372 0.556 18296 6876 1 17 . 1 1 20 20 CYS CB C 327 31.298 31.298 28.652 2.646 18296 6877 1 17 . 1 1 20 20 CYS H H 327 8.055 8.055 8.622 -0.567 18296 6878 1 17 . 1 1 21 21 TYR N N 328 129.752 129.752 122.134 7.618 18296 6879 1 17 . 1 1 21 21 TYR HA H 328 4.488 4.488 4.632 -0.144 18296 6880 1 17 . 1 1 21 21 TYR C C 328 178.625 178.625 176.497 2.128 18296 6881 1 17 . 1 1 21 21 TYR CA C 328 58.951 58.951 58.825 0.126 18296 6882 1 17 . 1 1 21 21 TYR CB C 328 37.712 37.712 38.173 -0.461 18296 6883 1 17 . 1 1 21 21 TYR H H 328 9.082 9.082 8.147 0.935 18296 6884 1 17 . 1 1 22 22 LEU N N 329 124.057 124.057 119.226 4.831 18296 6885 1 17 . 1 1 22 22 LEU HA H 329 3.749 3.749 4.329 -0.580 18296 6886 1 17 . 1 1 22 22 LEU C C 329 176.268 176.268 176.739 -0.471 18296 6887 1 17 . 1 1 22 22 LEU CA C 329 56.514 56.514 54.987 1.527 18296 6888 1 17 . 1 1 22 22 LEU CB C 329 42.975 42.975 42.248 0.727 18296 6889 1 17 . 1 1 22 22 LEU H H 329 8.140 8.140 7.512 0.628 18296 6890 1 17 . 1 1 23 23 CYS N N 330 117.734 117.734 116.628 1.106 18296 6891 1 17 . 1 1 23 23 CYS HA H 330 4.741 4.741 4.761 -0.020 18296 6892 1 17 . 1 1 23 23 CYS C C 330 177.769 177.769 173.040 4.729 18296 6893 1 17 . 1 1 23 23 CYS CA C 330 58.459 58.459 57.321 1.138 18296 6894 1 17 . 1 1 23 23 CYS CB C 330 30.918 30.918 31.577 -0.659 18296 6895 1 17 . 1 1 23 23 CYS H H 330 7.971 7.971 7.373 0.598 18296 6896 1 17 . 1 1 24 24 LYS N N 331 118.437 118.437 119.962 -1.525 18296 6897 1 17 . 1 1 24 24 LYS HA H 331 3.980 3.980 4.430 -0.450 18296 6898 1 17 . 1 1 24 24 LYS C C 331 178.178 178.178 175.103 3.075 18296 6899 1 17 . 1 1 24 24 LYS CA C 331 57.520 57.520 56.392 1.128 18296 6900 1 17 . 1 1 24 24 LYS CB C 331 29.278 29.278 32.584 -3.306 18296 6901 1 17 . 1 1 24 24 LYS H H 331 7.842 7.842 8.334 -0.492 18296 6902 1 17 . 1 1 25 25 GLN N N 332 118.445 118.445 120.325 -1.880 18296 6903 1 17 . 1 1 25 25 GLN HA H 332 4.574 4.574 4.533 0.041 18296 6904 1 17 . 1 1 25 25 GLN C C 332 177.619 177.619 174.287 3.332 18296 6905 1 17 . 1 1 25 25 GLN CA C 332 54.362 54.362 55.002 -0.640 18296 6906 1 17 . 1 1 25 25 GLN CB C 332 31.843 31.843 30.420 1.423 18296 6907 1 17 . 1 1 25 25 GLN H H 332 8.306 8.306 8.114 0.192 18296 6908 1 17 . 1 1 26 26 LYS N N 333 122.851 122.851 123.559 -0.708 18296 6909 1 17 . 1 1 26 26 LYS HA H 333 4.222 4.222 4.403 -0.181 18296 6910 1 17 . 1 1 26 26 LYS C C 333 175.456 175.456 177.059 -1.603 18296 6911 1 17 . 1 1 26 26 LYS CA C 333 57.729 57.729 56.481 1.248 18296 6912 1 17 . 1 1 26 26 LYS CB C 333 32.925 32.925 32.079 0.846 18296 6913 1 17 . 1 1 26 26 LYS H H 333 8.545 8.545 8.282 0.263 18296 6914 1 17 . 1 1 27 27 GLY N N 334 107.216 107.216 113.613 -6.397 18296 6915 1 17 . 1 1 27 27 GLY C C 334 180.017 180.017 174.135 5.882 18296 6916 1 17 . 1 1 27 27 GLY CA C 334 45.559 45.559 45.294 0.265 18296 6917 1 17 . 1 1 27 27 GLY H H 334 8.348 8.348 8.401 -0.053 18296 6918 1 17 . 1 1 28 28 VAL N N 335 117.437 117.437 119.897 -2.460 18296 6919 1 17 . 1 1 28 28 VAL HA H 335 4.133 4.133 4.362 -0.229 18296 6920 1 17 . 1 1 28 28 VAL C C 335 177.439 177.439 176.186 1.253 18296 6921 1 17 . 1 1 28 28 VAL CA C 335 61.502 61.502 62.873 -1.371 18296 6922 1 17 . 1 1 28 28 VAL CB C 335 33.563 33.563 32.012 1.551 18296 6923 1 17 . 1 1 28 28 VAL H H 335 7.867 7.867 8.287 -0.420 18296 6924 1 17 . 1 1 29 29 GLY N N 336 110.723 110.723 110.584 0.139 18296 6925 1 17 . 1 1 29 29 GLY C C 336 180.088 180.088 173.727 6.361 18296 6926 1 17 . 1 1 29 29 GLY CA C 336 44.344 44.344 45.833 -1.489 18296 6927 1 17 . 1 1 29 29 GLY H H 336 8.186 8.186 8.593 -0.407 18296 6928 1 17 . 1 1 30 30 ALA N N 337 122.643 122.643 122.832 -0.189 18296 6929 1 17 . 1 1 30 30 ALA HA H 337 4.193 4.193 4.609 -0.416 18296 6930 1 17 . 1 1 30 30 ALA C C 337 175.274 175.274 175.215 0.059 18296 6931 1 17 . 1 1 30 30 ALA CA C 337 52.904 52.904 52.077 0.827 18296 6932 1 17 . 1 1 30 30 ALA CB C 337 19.677 19.677 19.905 -0.228 18296 6933 1 17 . 1 1 30 30 ALA H H 337 8.269 8.269 7.843 0.426 18296 6934 1 17 . 1 1 31 31 SER N N 338 117.644 117.644 118.115 -0.471 18296 6935 1 17 . 1 1 31 31 SER HA H 338 4.775 4.775 5.034 -0.259 18296 6936 1 17 . 1 1 31 31 SER C C 338 180.923 180.923 172.877 8.046 18296 6937 1 17 . 1 1 31 31 SER CA C 338 57.406 57.406 57.313 0.093 18296 6938 1 17 . 1 1 31 31 SER CB C 338 65.388 65.388 65.817 -0.429 18296 6939 1 17 . 1 1 31 31 SER H H 338 8.415 8.415 8.340 0.075 18296 6940 1 17 . 1 1 32 32 ILE N N 339 121.240 121.240 122.480 -1.240 18296 6941 1 17 . 1 1 32 32 ILE HA H 339 4.123 4.123 4.201 -0.078 18296 6942 1 17 . 1 1 32 32 ILE C C 339 181.302 181.302 173.680 7.622 18296 6943 1 17 . 1 1 32 32 ILE CA C 339 59.768 59.768 59.252 0.516 18296 6944 1 17 . 1 1 32 32 ILE CB C 339 41.252 41.252 40.960 0.292 18296 6945 1 17 . 1 1 32 32 ILE H H 339 8.522 8.522 8.570 -0.048 18296 6946 1 17 . 1 1 33 33 GLN N N 340 120.384 120.384 127.399 -7.015 18296 6947 1 17 . 1 1 33 33 GLN HA H 340 4.335 4.335 4.673 -0.338 18296 6948 1 17 . 1 1 33 33 GLN C C 340 179.377 179.377 175.137 4.240 18296 6949 1 17 . 1 1 33 33 GLN CA C 340 53.739 53.739 54.528 -0.789 18296 6950 1 17 . 1 1 33 33 GLN CB C 340 32.179 32.179 30.433 1.746 18296 6951 1 17 . 1 1 33 33 GLN H H 340 7.720 7.720 8.255 -0.535 18296 6952 1 17 . 1 1 34 34 CYS N N 341 125.463 125.463 127.296 -1.833 18296 6953 1 17 . 1 1 34 34 CYS HA H 341 4.036 4.036 4.673 -0.637 18296 6954 1 17 . 1 1 34 34 CYS C C 341 178.269 178.269 176.246 2.023 18296 6955 1 17 . 1 1 34 34 CYS CA C 341 60.992 60.992 59.702 1.290 18296 6956 1 17 . 1 1 34 34 CYS CB C 341 32.346 32.346 27.521 4.825 18296 6957 1 17 . 1 1 34 34 CYS H H 341 8.292 8.292 8.766 -0.474 18296 6958 1 17 . 1 1 35 35 HIS N N 342 126.611 126.611 129.743 -3.132 18296 6959 1 17 . 1 1 35 35 HIS HA H 342 4.128 4.128 4.315 -0.187 18296 6960 1 17 . 1 1 35 35 HIS CA C 342 57.556 57.556 58.212 -0.656 18296 6961 1 17 . 1 1 35 35 HIS CB C 342 29.945 29.945 30.890 -0.945 18296 6962 1 17 . 1 1 35 35 HIS H H 342 8.722 8.722 8.802 -0.080 18296 6963 1 17 . 1 1 36 36 LYS N N 343 124.049 124.049 116.257 7.792 18296 6964 1 17 . 1 1 36 36 LYS HA H 343 3.940 3.940 3.943 -0.003 18296 6965 1 17 . 1 1 36 36 LYS C C 343 176.701 176.701 176.229 0.472 18296 6966 1 17 . 1 1 36 36 LYS CA C 343 56.155 56.155 56.471 -0.316 18296 6967 1 17 . 1 1 36 36 LYS CB C 343 33.033 33.033 32.441 0.592 18296 6968 1 17 . 1 1 36 36 LYS H H 343 8.567 8.567 8.130 0.437 18296 6969 1 17 . 1 1 37 37 ALA N N 344 130.751 130.751 128.878 1.873 18296 6970 1 17 . 1 1 37 37 ALA HA H 344 3.733 3.733 3.619 0.114 18296 6971 1 17 . 1 1 37 37 ALA C C 344 175.302 175.302 177.816 -2.514 18296 6972 1 17 . 1 1 37 37 ALA CA C 344 53.917 53.917 54.026 -0.109 18296 6973 1 17 . 1 1 37 37 ALA CB C 344 18.206 18.206 18.522 -0.316 18296 6974 1 17 . 1 1 37 37 ALA H H 344 8.363 8.363 8.561 -0.198 18296 6975 1 17 . 1 1 38 38 ASN N N 345 114.094 114.094 116.758 -2.664 18296 6976 1 17 . 1 1 38 38 ASN HA H 345 3.885 3.885 4.587 -0.702 18296 6977 1 17 . 1 1 38 38 ASN C C 345 181.195 181.195 176.452 4.743 18296 6978 1 17 . 1 1 38 38 ASN CA C 345 53.606 53.606 55.142 -1.536 18296 6979 1 17 . 1 1 38 38 ASN CB C 345 37.443 37.443 38.389 -0.946 18296 6980 1 17 . 1 1 38 38 ASN H H 345 8.292 8.292 8.541 -0.249 18296 6981 1 17 . 1 1 39 39 CYS N N 346 121.417 121.417 118.566 2.851 18296 6982 1 17 . 1 1 39 39 CYS C C 346 178.723 178.723 175.158 3.565 18296 6983 1 17 . 1 1 39 39 CYS H H 346 7.283 7.283 7.637 -0.354 18296 6984 1 17 . 1 1 40 40 TYR HA H 347 4.212 4.212 4.243 -0.031 18296 6985 1 17 . 1 1 40 40 TYR C C 347 178.156 178.156 174.556 3.600 18296 6986 1 17 . 1 1 40 40 TYR CA C 347 56.478 56.478 59.279 -2.801 18296 6987 1 17 . 1 1 40 40 TYR CB C 347 37.446 37.446 35.820 1.626 18296 6988 1 17 . 1 1 40 40 TYR H H 347 7.923 7.923 8.245 -0.322 18296 6989 1 17 . 1 1 41 41 THR N N 348 122.674 122.674 116.030 6.644 18296 6990 1 17 . 1 1 41 41 THR HA H 348 3.806 3.806 4.688 -0.882 18296 6991 1 17 . 1 1 41 41 THR C C 348 182.343 182.343 172.698 9.645 18296 6992 1 17 . 1 1 41 41 THR CA C 348 64.932 64.932 62.603 2.329 18296 6993 1 17 . 1 1 41 41 THR CB C 348 68.772 68.772 71.472 -2.700 18296 6994 1 17 . 1 1 41 41 THR H H 348 8.421 8.421 7.776 0.645 18296 6995 1 17 . 1 1 42 42 ALA N N 349 130.177 130.177 127.046 3.131 18296 6996 1 17 . 1 1 42 42 ALA HA H 349 4.967 4.967 5.133 -0.167 18296 6997 1 17 . 1 1 42 42 ALA C C 349 176.955 176.955 175.775 1.180 18296 6998 1 17 . 1 1 42 42 ALA CA C 349 49.997 49.997 50.405 -0.408 18296 6999 1 17 . 1 1 42 42 ALA CB C 349 23.467 23.467 21.691 1.776 18296 7000 1 17 . 1 1 42 42 ALA H H 349 8.856 8.856 8.949 -0.093 18296 7001 1 17 . 1 1 43 43 PHE N N 350 113.053 113.053 116.932 -3.879 18296 7002 1 17 . 1 1 43 43 PHE HA H 350 5.525 5.525 4.658 0.867 18296 7003 1 17 . 1 1 43 43 PHE C C 350 177.894 177.894 173.775 4.119 18296 7004 1 17 . 1 1 43 43 PHE CA C 350 53.625 53.625 56.248 -2.623 18296 7005 1 17 . 1 1 43 43 PHE CB C 350 39.459 39.459 40.588 -1.129 18296 7006 1 17 . 1 1 43 43 PHE H H 350 7.912 7.912 8.195 -0.283 18296 7007 1 17 . 1 1 44 44 HIS N N 351 118.497 118.497 120.058 -1.561 18296 7008 1 17 . 1 1 44 44 HIS HA H 351 4.892 4.892 4.605 0.287 18296 7009 1 17 . 1 1 44 44 HIS C C 351 176.371 176.371 177.190 -0.819 18296 7010 1 17 . 1 1 44 44 HIS CA C 351 58.019 58.019 57.402 0.617 18296 7011 1 17 . 1 1 44 44 HIS CB C 351 31.716 31.716 30.115 1.601 18296 7012 1 17 . 1 1 44 44 HIS H H 351 9.335 9.335 8.498 0.837 18296 7013 1 17 . 1 1 45 45 VAL N N 352 124.407 124.407 122.018 2.389 18296 7014 1 17 . 1 1 45 45 VAL HA H 352 3.476 3.476 3.777 -0.301 18296 7015 1 17 . 1 1 45 45 VAL C C 352 175.305 175.305 177.967 -2.662 18296 7016 1 17 . 1 1 45 45 VAL CA C 352 67.359 67.359 66.826 0.533 18296 7017 1 17 . 1 1 45 45 VAL CB C 352 31.627 31.627 31.015 0.612 18296 7018 1 17 . 1 1 45 45 VAL H H 352 8.654 8.654 8.539 0.115 18296 7019 1 17 . 1 1 46 46 THR N N 353 111.166 111.166 115.479 -4.313 18296 7020 1 17 . 1 1 46 46 THR HA H 353 3.997 3.997 4.060 -0.063 18296 7021 1 17 . 1 1 46 46 THR C C 353 175.010 175.010 176.604 -1.594 18296 7022 1 17 . 1 1 46 46 THR CA C 353 65.008 65.008 65.802 -0.794 18296 7023 1 17 . 1 1 46 46 THR CB C 353 67.830 67.830 68.581 -0.751 18296 7024 1 17 . 1 1 46 46 THR H H 353 8.370 8.370 8.545 -0.175 18296 7025 1 17 . 1 1 47 47 CYS N N 354 120.975 120.975 119.462 1.513 18296 7026 1 17 . 1 1 47 47 CYS HA H 354 3.762 3.762 4.319 -0.557 18296 7027 1 17 . 1 1 47 47 CYS C C 354 175.912 175.912 177.047 -1.135 18296 7028 1 17 . 1 1 47 47 CYS CA C 354 63.372 63.372 62.445 0.927 18296 7029 1 17 . 1 1 47 47 CYS CB C 354 29.076 29.076 25.877 3.199 18296 7030 1 17 . 1 1 47 47 CYS H H 354 6.668 6.668 8.480 -1.812 18296 7031 1 17 . 1 1 48 48 ALA N N 355 123.247 123.247 123.270 -0.023 18296 7032 1 17 . 1 1 48 48 ALA HA H 355 3.511 3.511 4.051 -0.540 18296 7033 1 17 . 1 1 48 48 ALA C C 355 174.031 174.031 179.427 -5.396 18296 7034 1 17 . 1 1 48 48 ALA CA C 355 55.045 55.045 55.140 -0.095 18296 7035 1 17 . 1 1 48 48 ALA CB C 355 19.962 19.962 18.717 1.245 18296 7036 1 17 . 1 1 48 48 ALA H H 355 8.481 8.481 8.309 0.172 18296 7037 1 17 . 1 1 49 49 GLN N N 356 118.150 118.150 118.075 0.075 18296 7038 1 17 . 1 1 49 49 GLN HA H 356 4.003 4.003 4.002 0.001 18296 7039 1 17 . 1 1 49 49 GLN C C 356 173.755 173.755 178.553 -4.798 18296 7040 1 17 . 1 1 49 49 GLN CA C 356 58.728 58.728 58.760 -0.032 18296 7041 1 17 . 1 1 49 49 GLN CB C 356 28.196 28.196 28.782 -0.587 18296 7042 1 17 . 1 1 49 49 GLN H H 356 8.055 8.055 8.140 -0.085 18296 7043 1 17 . 1 1 50 50 LYS N N 357 120.248 120.248 118.512 1.736 18296 7044 1 17 . 1 1 50 50 LYS HA H 357 3.866 3.866 4.153 -0.287 18296 7045 1 17 . 1 1 50 50 LYS C C 357 175.624 175.624 178.426 -2.802 18296 7046 1 17 . 1 1 50 50 LYS CA C 357 58.989 58.989 58.239 0.750 18296 7047 1 17 . 1 1 50 50 LYS CB C 357 32.377 32.377 32.671 -0.294 18296 7048 1 17 . 1 1 50 50 LYS H H 357 7.628 7.628 7.820 -0.192 18296 7049 1 17 . 1 1 51 51 ALA N N 358 118.343 118.343 120.286 -1.943 18296 7050 1 17 . 1 1 51 51 ALA HA H 358 4.138 4.138 4.205 -0.067 18296 7051 1 17 . 1 1 51 51 ALA C C 358 176.132 176.132 178.329 -2.197 18296 7052 1 17 . 1 1 51 51 ALA CA C 358 52.263 52.263 53.466 -1.203 18296 7053 1 17 . 1 1 51 51 ALA CB C 358 19.690 19.690 19.632 0.058 18296 7054 1 17 . 1 1 51 51 ALA H H 358 7.558 7.558 7.544 0.014 18296 7055 1 17 . 1 1 52 52 GLY N N 359 107.058 107.058 106.747 0.311 18296 7056 1 17 . 1 1 52 52 GLY C C 359 178.221 178.221 174.124 4.097 18296 7057 1 17 . 1 1 52 52 GLY CA C 359 46.323 46.323 44.896 1.427 18296 7058 1 17 . 1 1 52 52 GLY H H 359 7.481 7.481 8.299 -0.818 18296 7059 1 17 . 1 1 53 53 LEU N N 360 118.335 118.335 115.929 2.406 18296 7060 1 17 . 1 1 53 53 LEU HA H 360 4.002 4.002 5.009 -1.007 18296 7061 1 17 . 1 1 53 53 LEU C C 360 176.917 176.917 176.290 0.627 18296 7062 1 17 . 1 1 53 53 LEU CA C 360 54.926 54.926 52.739 2.187 18296 7063 1 17 . 1 1 53 53 LEU CB C 360 39.949 39.949 43.085 -3.136 18296 7064 1 17 . 1 1 53 53 LEU H H 360 7.502 7.502 7.283 0.219 18296 7065 1 17 . 1 1 54 54 TYR N N 361 124.191 124.191 120.267 3.924 18296 7066 1 17 . 1 1 54 54 TYR HA H 361 4.024 4.024 4.576 -0.552 18296 7067 1 17 . 1 1 54 54 TYR C C 361 178.584 178.584 174.722 3.862 18296 7068 1 17 . 1 1 54 54 TYR CA C 361 59.385 59.385 58.715 0.669 18296 7069 1 17 . 1 1 54 54 TYR CB C 361 39.068 39.068 39.966 -0.898 18296 7070 1 17 . 1 1 54 54 TYR H H 361 9.307 9.307 8.732 0.575 18296 7071 1 17 . 1 1 55 55 MET N N 362 127.473 127.473 127.193 0.280 18296 7072 1 17 . 1 1 55 55 MET HA H 362 4.953 4.953 4.563 0.390 18296 7073 1 17 . 1 1 55 55 MET C C 362 179.342 179.342 174.295 5.047 18296 7074 1 17 . 1 1 55 55 MET CA C 362 54.918 54.918 54.011 0.907 18296 7075 1 17 . 1 1 55 55 MET CB C 362 35.857 35.857 35.503 0.354 18296 7076 1 17 . 1 1 55 55 MET H H 362 7.575 7.575 7.787 -0.212 18296 7077 1 17 . 1 1 56 56 LYS N N 363 124.429 124.429 125.199 -0.770 18296 7078 1 17 . 1 1 56 56 LYS HA H 363 4.339 4.339 4.330 0.009 18296 7079 1 17 . 1 1 56 56 LYS C C 363 178.541 178.541 175.449 3.092 18296 7080 1 17 . 1 1 56 56 LYS CA C 363 54.939 54.939 56.123 -1.184 18296 7081 1 17 . 1 1 56 56 LYS CB C 363 35.977 35.977 34.159 1.818 18296 7082 1 17 . 1 1 56 56 LYS H H 363 8.575 8.575 7.960 0.615 18296 7083 1 17 . 1 1 57 57 MET N N 364 123.350 123.350 121.902 1.448 18296 7084 1 17 . 1 1 57 57 MET HA H 364 4.801 4.801 4.866 -0.065 18296 7085 1 17 . 1 1 57 57 MET C C 364 178.016 178.016 175.058 2.958 18296 7086 1 17 . 1 1 57 57 MET CA C 364 54.111 54.111 55.286 -1.175 18296 7087 1 17 . 1 1 57 57 MET H H 364 8.484 8.484 8.396 0.088 18296 7088 1 17 . 1 1 58 58 GLU N N 365 121.319 121.319 122.666 -1.347 18296 7089 1 17 . 1 1 58 58 GLU H H 365 8.193 8.193 8.976 -0.783 18296 7090 1 17 . 1 1 59 59 PRO HA H 366 4.665 4.665 5.018 -0.353 18296 7091 1 17 . 1 1 59 59 PRO C C 366 176.742 176.742 175.597 1.145 18296 7092 1 17 . 1 1 59 59 PRO CA C 366 62.524 62.524 61.396 1.128 18296 7093 1 17 . 1 1 59 59 PRO CB C 366 32.125 32.125 32.805 -0.680 18296 7094 1 17 . 1 1 60 60 VAL N N 367 122.754 122.754 121.546 1.208 18296 7095 1 17 . 1 1 60 60 VAL HA H 367 4.105 4.105 4.228 -0.123 18296 7096 1 17 . 1 1 60 60 VAL C C 367 178.435 178.435 173.561 4.874 18296 7097 1 17 . 1 1 60 60 VAL CA C 367 61.529 61.529 60.265 1.264 18296 7098 1 17 . 1 1 60 60 VAL CB C 367 34.057 34.057 36.078 -2.021 18296 7099 1 17 . 1 1 60 60 VAL H H 367 8.509 8.509 8.422 0.087 18296 7100 1 17 . 1 1 61 61 LYS N N 368 126.381 126.381 126.322 0.059 18296 7101 1 17 . 1 1 61 61 LYS HA H 368 4.180 4.180 4.206 -0.026 18296 7102 1 17 . 1 1 61 61 LYS C C 368 177.499 177.499 175.238 2.261 18296 7103 1 17 . 1 1 61 61 LYS CA C 368 56.047 56.047 56.028 0.019 18296 7104 1 17 . 1 1 61 61 LYS CB C 368 33.313 33.313 32.640 0.673 18296 7105 1 17 . 1 1 61 61 LYS H H 368 8.379 8.379 8.352 0.027 18296 7106 1 17 . 1 1 62 62 GLU N N 369 123.927 123.927 124.711 -0.784 18296 7107 1 17 . 1 1 62 62 GLU HA H 369 4.246 4.246 4.667 -0.421 18296 7108 1 17 . 1 1 62 62 GLU C C 369 177.861 177.861 176.108 1.753 18296 7109 1 17 . 1 1 62 62 GLU CA C 369 55.596 55.596 55.187 0.409 18296 7110 1 17 . 1 1 62 62 GLU CB C 369 31.289 31.289 33.010 -1.721 18296 7111 1 17 . 1 1 62 62 GLU H H 369 8.355 8.355 8.435 -0.080 18296 7112 1 17 . 1 1 63 63 LEU N N 370 124.406 124.406 115.795 8.611 18296 7113 1 17 . 1 1 63 63 LEU HA H 370 4.356 4.356 4.858 -0.502 18296 7114 1 17 . 1 1 63 63 LEU C C 370 176.026 176.026 177.012 -0.986 18296 7115 1 17 . 1 1 63 63 LEU CA C 370 55.223 55.223 55.347 -0.124 18296 7116 1 17 . 1 1 63 63 LEU CB C 370 42.061 42.061 43.310 -1.249 18296 7117 1 17 . 1 1 63 63 LEU H H 370 8.419 8.419 8.490 -0.071 18296 7118 1 17 . 1 1 64 64 THR N N 371 114.722 114.722 115.455 -0.733 18296 7119 1 17 . 1 1 64 64 THR HA H 371 4.306 4.306 3.898 0.408 18296 7120 1 17 . 1 1 64 64 THR C C 371 178.158 178.158 174.298 3.860 18296 7121 1 17 . 1 1 64 64 THR CA C 371 61.196 61.196 63.779 -2.583 18296 7122 1 17 . 1 1 64 64 THR CB C 371 70.416 70.416 67.563 2.853 18296 7123 1 17 . 1 1 64 64 THR H H 371 7.966 7.966 8.428 -0.462 18296 7124 1 17 . 1 1 65 65 GLY N N 372 111.711 111.711 107.153 4.558 18296 7125 1 17 . 1 1 65 65 GLY C C 372 178.512 178.512 173.963 4.549 18296 7126 1 17 . 1 1 65 65 GLY CA C 372 46.227 46.227 45.870 0.357 18296 7127 1 17 . 1 1 65 65 GLY H H 372 8.565 8.565 8.049 0.516 18296 7128 1 17 . 1 1 66 66 GLY N N 373 108.771 108.771 110.006 -1.235 18296 7129 1 17 . 1 1 66 66 GLY C C 373 178.999 178.999 175.819 3.180 18296 7130 1 17 . 1 1 66 66 GLY CA C 373 45.287 45.287 45.180 0.107 18296 7131 1 17 . 1 1 66 66 GLY H H 373 8.227 8.227 8.578 -0.351 18296 7132 1 17 . 1 1 67 67 GLY N N 374 108.901 108.901 110.036 -1.135 18296 7133 1 17 . 1 1 67 67 GLY C C 374 179.721 179.721 173.792 5.929 18296 7134 1 17 . 1 1 67 67 GLY CA C 374 44.987 44.987 45.086 -0.099 18296 7135 1 17 . 1 1 67 67 GLY H H 374 7.876 7.876 8.358 -0.482 18296 7136 1 17 . 1 1 68 68 THR N N 375 114.505 114.505 110.370 4.135 18296 7137 1 17 . 1 1 68 68 THR HA H 375 4.450 4.450 4.513 -0.063 18296 7138 1 17 . 1 1 68 68 THR C C 375 178.997 178.997 172.912 6.085 18296 7139 1 17 . 1 1 68 68 THR CA C 375 61.900 61.900 61.420 0.480 18296 7140 1 17 . 1 1 68 68 THR CB C 375 70.047 70.047 71.106 -1.059 18296 7141 1 17 . 1 1 68 68 THR H H 375 8.112 8.112 7.673 0.439 18296 7142 1 17 . 1 1 69 69 THR N N 376 118.054 118.054 115.189 2.865 18296 7143 1 17 . 1 1 69 69 THR HA H 376 4.302 4.302 4.697 -0.395 18296 7144 1 17 . 1 1 69 69 THR C C 376 180.403 180.403 173.015 7.388 18296 7145 1 17 . 1 1 69 69 THR CA C 376 61.114 61.114 60.051 1.063 18296 7146 1 17 . 1 1 69 69 THR CB C 376 70.422 70.422 70.647 -0.225 18296 7147 1 17 . 1 1 69 69 THR H H 376 8.259 8.259 8.985 -0.726 18296 7148 1 17 . 1 1 70 70 PHE N N 377 122.009 122.009 119.330 2.679 18296 7149 1 17 . 1 1 70 70 PHE HA H 377 4.910 4.910 4.724 0.186 18296 7150 1 17 . 1 1 70 70 PHE C C 377 177.972 177.972 174.001 3.971 18296 7151 1 17 . 1 1 70 70 PHE CA C 377 57.227 57.227 56.663 0.564 18296 7152 1 17 . 1 1 70 70 PHE CB C 377 40.873 40.873 42.301 -1.428 18296 7153 1 17 . 1 1 70 70 PHE H H 377 8.351 8.351 8.466 -0.115 18296 7154 1 17 . 1 1 71 71 SER N N 378 117.853 117.853 117.477 0.376 18296 7155 1 17 . 1 1 71 71 SER HA H 378 4.493 4.493 4.682 -0.189 18296 7156 1 17 . 1 1 71 71 SER C C 378 180.063 180.063 172.653 7.410 18296 7157 1 17 . 1 1 71 71 SER CA C 378 57.276 57.276 57.918 -0.642 18296 7158 1 17 . 1 1 71 71 SER CB C 378 64.612 64.612 64.266 0.346 18296 7159 1 17 . 1 1 71 71 SER H H 378 8.519 8.519 7.753 0.766 18296 7160 1 17 . 1 1 72 72 VAL N N 379 120.162 120.162 123.262 -3.100 18296 7161 1 17 . 1 1 72 72 VAL HA H 379 4.441 4.441 4.190 0.251 18296 7162 1 17 . 1 1 72 72 VAL C C 379 178.192 178.192 175.260 2.932 18296 7163 1 17 . 1 1 72 72 VAL CA C 379 61.369 61.369 61.415 -0.046 18296 7164 1 17 . 1 1 72 72 VAL CB C 379 33.944 33.944 32.512 1.432 18296 7165 1 17 . 1 1 72 72 VAL H H 379 8.277 8.277 8.457 -0.180 18296 7166 1 17 . 1 1 73 73 ARG N N 380 126.538 126.538 126.084 0.454 18296 7167 1 17 . 1 1 73 73 ARG HA H 380 4.430 4.430 4.544 -0.114 18296 7168 1 17 . 1 1 73 73 ARG C C 380 177.524 177.524 174.889 2.635 18296 7169 1 17 . 1 1 73 73 ARG CA C 380 54.744 54.744 54.985 -0.241 18296 7170 1 17 . 1 1 73 73 ARG CB C 380 32.635 32.635 31.657 0.978 18296 7171 1 17 . 1 1 73 73 ARG H H 380 8.727 8.727 8.495 0.232 18296 7172 1 17 . 1 1 74 74 LYS N N 381 126.485 126.485 124.781 1.704 18296 7173 1 17 . 1 1 74 74 LYS HA H 381 4.613 4.613 4.923 -0.310 18296 7174 1 17 . 1 1 74 74 LYS C C 381 178.050 178.050 175.838 2.212 18296 7175 1 17 . 1 1 74 74 LYS CA C 381 56.325 56.325 55.143 1.182 18296 7176 1 17 . 1 1 74 74 LYS CB C 381 33.149 33.149 35.089 -1.940 18296 7177 1 17 . 1 1 74 74 LYS H H 381 8.636 8.636 8.496 0.140 18296 7178 1 17 . 1 1 75 75 THR N N 382 120.767 120.767 118.695 2.072 18296 7179 1 17 . 1 1 75 75 THR HA H 382 3.791 3.791 4.364 -0.573 18296 7180 1 17 . 1 1 75 75 THR C C 382 181.578 181.578 172.965 8.613 18296 7181 1 17 . 1 1 75 75 THR CA C 382 61.703 61.703 61.780 -0.077 18296 7182 1 17 . 1 1 75 75 THR CB C 382 70.771 70.771 69.613 1.158 18296 7183 1 17 . 1 1 75 75 THR H H 382 8.544 8.544 8.077 0.467 18296 7184 1 17 . 1 1 76 76 ALA N N 383 126.390 126.390 127.648 -1.258 18296 7185 1 17 . 1 1 76 76 ALA HA H 383 5.358 5.358 4.465 0.893 18296 7186 1 17 . 1 1 76 76 ALA C C 383 178.931 178.931 175.489 3.442 18296 7187 1 17 . 1 1 76 76 ALA CA C 383 50.669 50.669 50.731 -0.062 18296 7188 1 17 . 1 1 76 76 ALA CB C 383 24.682 24.682 21.483 3.200 18296 7189 1 17 . 1 1 76 76 ALA H H 383 7.981 7.981 7.928 0.053 18296 7190 1 17 . 1 1 77 77 TYR N N 384 116.182 116.182 118.133 -1.951 18296 7191 1 17 . 1 1 77 77 TYR HA H 384 5.920 5.920 4.992 0.928 18296 7192 1 17 . 1 1 77 77 TYR C C 384 177.384 177.384 175.815 1.569 18296 7193 1 17 . 1 1 77 77 TYR CA C 384 56.234 56.234 56.531 -0.297 18296 7194 1 17 . 1 1 77 77 TYR CB C 384 43.201 43.201 41.983 1.218 18296 7195 1 17 . 1 1 77 77 TYR H H 384 7.899 7.899 8.153 -0.254 18296 7196 1 17 . 1 1 78 78 CYS N N 385 121.146 121.146 118.656 2.490 18296 7197 1 17 . 1 1 78 78 CYS HA H 385 4.312 4.312 3.983 0.329 18296 7198 1 17 . 1 1 78 78 CYS C C 385 178.543 178.543 176.351 2.192 18296 7199 1 17 . 1 1 78 78 CYS CA C 385 58.293 58.293 58.659 -0.366 18296 7200 1 17 . 1 1 78 78 CYS CB C 385 29.815 29.815 29.016 0.799 18296 7201 1 17 . 1 1 78 78 CYS H H 385 9.855 9.855 8.670 1.185 18296 7202 1 17 . 1 1 79 79 ASP N N 386 115.334 115.334 121.275 -5.941 18296 7203 1 17 . 1 1 79 79 ASP HA H 386 3.946 3.946 4.497 -0.551 18296 7204 1 17 . 1 1 79 79 ASP C C 386 175.510 175.510 177.531 -2.021 18296 7205 1 17 . 1 1 79 79 ASP CA C 386 57.118 57.118 56.282 0.836 18296 7206 1 17 . 1 1 79 79 ASP CB C 386 40.495 40.495 41.179 -0.684 18296 7207 1 17 . 1 1 79 79 ASP H H 386 7.657 7.657 8.676 -1.019 18296 7208 1 17 . 1 1 80 80 VAL N N 387 119.872 119.872 111.974 7.898 18296 7209 1 17 . 1 1 80 80 VAL HA H 387 3.579 3.579 4.166 -0.587 18296 7210 1 17 . 1 1 80 80 VAL C C 387 176.437 176.437 176.020 0.417 18296 7211 1 17 . 1 1 80 80 VAL CA C 387 64.272 64.272 63.156 1.116 18296 7212 1 17 . 1 1 80 80 VAL CB C 387 31.798 31.798 31.046 0.752 18296 7213 1 17 . 1 1 80 80 VAL H H 387 7.601 7.601 7.496 0.105 18296 7214 1 17 . 1 1 81 81 HIS N N 388 119.244 119.244 119.089 0.155 18296 7215 1 17 . 1 1 81 81 HIS HA H 388 4.632 4.632 4.528 0.104 18296 7216 1 17 . 1 1 81 81 HIS C C 388 180.644 180.644 176.286 4.358 18296 7217 1 17 . 1 1 81 81 HIS CA C 388 56.212 56.212 58.575 -2.363 18296 7218 1 17 . 1 1 81 81 HIS CB C 388 31.774 31.774 31.841 -0.067 18296 7219 1 17 . 1 1 81 81 HIS H H 388 7.385 7.385 7.610 -0.225 18296 7220 1 17 . 1 1 82 82 THR N N 389 117.899 117.899 115.073 2.826 18296 7221 1 17 . 1 1 82 82 THR HA H 389 3.733 3.733 4.351 -0.618 18296 7222 1 17 . 1 1 82 82 THR C C 389 181.155 181.155 174.201 6.954 18296 7223 1 17 . 1 1 82 82 THR CA C 389 61.844 61.844 64.276 -2.432 18296 7224 1 17 . 1 1 82 82 THR CB C 389 70.285 70.285 67.306 2.979 18296 7225 1 17 . 1 1 82 82 THR H H 389 7.133 7.133 7.850 -0.717 18296 7226 1 17 . 1 1 83 83 PRO HA H 390 4.192 4.192 4.408 -0.216 18296 7227 1 17 . 1 1 83 83 PRO CA C 390 61.509 61.509 63.963 -2.454 18296 7228 1 17 . 1 1 83 83 PRO CB C 390 30.773 30.773 30.548 0.225 18296 7229 1 17 . 1 1 84 84 PRO HA H 391 4.220 4.220 4.434 -0.214 18296 7230 1 17 . 1 1 84 84 PRO C C 391 175.949 175.949 176.234 -0.285 18296 7231 1 17 . 1 1 84 84 PRO CA C 391 63.032 63.032 62.105 0.927 18296 7232 1 17 . 1 1 84 84 PRO CB C 391 31.983 31.983 32.508 -0.524 18296 7233 1 17 . 1 1 85 85 GLY N N 392 109.626 109.626 106.747 2.879 18296 7234 1 17 . 1 1 85 85 GLY C C 392 179.223 179.223 173.995 5.228 18296 7235 1 17 . 1 1 85 85 GLY CA C 392 45.359 45.359 44.891 0.468 18296 7236 1 17 . 1 1 85 85 GLY H H 392 8.367 8.367 8.190 0.177 18296 7237 1 17 . 1 1 86 86 SER N N 393 115.675 115.675 118.467 -2.792 18296 7238 1 17 . 1 1 86 86 SER HA H 393 4.354 4.354 4.591 -0.237 18296 7239 1 17 . 1 1 86 86 SER C C 393 179.569 179.569 175.149 4.420 18296 7240 1 17 . 1 1 86 86 SER CA C 393 58.521 58.521 58.915 -0.394 18296 7241 1 17 . 1 1 86 86 SER CB C 393 63.913 63.913 63.700 0.213 18296 7242 1 17 . 1 1 86 86 SER H H 393 8.022 8.022 8.386 -0.364 18296 7243 1 18 . 1 1 10 10 ASN N N 317 120.101 120.101 120.114 -0.013 18296 7244 1 18 . 1 1 10 10 ASN HA H 317 4.501 4.501 5.111 -0.610 18296 7245 1 18 . 1 1 10 10 ASN C C 317 179.015 179.015 174.763 4.252 18296 7246 1 18 . 1 1 10 10 ASN CA C 317 53.191 53.191 52.676 0.515 18296 7247 1 18 . 1 1 10 10 ASN CB C 317 38.650 38.650 40.125 -1.475 18296 7248 1 18 . 1 1 10 10 ASN H H 317 8.415 8.415 8.428 -0.013 18296 7249 1 18 . 1 1 11 11 ILE N N 318 122.869 122.869 120.850 2.019 18296 7250 1 18 . 1 1 11 11 ILE HA H 318 4.250 4.250 4.220 0.030 18296 7251 1 18 . 1 1 11 11 ILE C C 318 179.506 179.506 175.230 4.276 18296 7252 1 18 . 1 1 11 11 ILE CA C 318 58.332 58.332 61.609 -3.277 18296 7253 1 18 . 1 1 11 11 ILE CB C 318 38.713 38.713 36.077 2.636 18296 7254 1 18 . 1 1 11 11 ILE H H 318 7.924 7.924 8.422 -0.498 18296 7255 1 18 . 1 1 12 12 PRO HA H 319 4.359 4.359 4.711 -0.352 18296 7256 1 18 . 1 1 12 12 PRO CA C 319 61.487 61.487 61.516 -0.029 18296 7257 1 18 . 1 1 12 12 PRO CB C 319 30.960 30.960 31.201 -0.241 18296 7258 1 18 . 1 1 13 13 PRO HA H 320 3.968 3.968 4.376 -0.408 18296 7259 1 18 . 1 1 13 13 PRO C C 320 176.730 176.730 176.182 0.548 18296 7260 1 18 . 1 1 13 13 PRO CA C 320 62.874 62.874 62.775 0.099 18296 7261 1 18 . 1 1 13 13 PRO CB C 320 31.948 31.948 32.235 -0.287 18296 7262 1 18 . 1 1 14 14 ALA N N 321 123.469 123.469 125.013 -1.544 18296 7263 1 18 . 1 1 14 14 ALA HA H 321 3.952 3.952 4.053 -0.101 18296 7264 1 18 . 1 1 14 14 ALA C C 321 175.208 175.208 176.037 -0.829 18296 7265 1 18 . 1 1 14 14 ALA CA C 321 52.876 52.876 51.839 1.037 18296 7266 1 18 . 1 1 14 14 ALA CB C 321 18.896 18.896 19.569 -0.673 18296 7267 1 18 . 1 1 14 14 ALA H H 321 8.108 8.108 7.840 0.268 18296 7268 1 18 . 1 1 15 15 ARG N N 322 118.725 118.725 121.440 -2.715 18296 7269 1 18 . 1 1 15 15 ARG HA H 322 3.943 3.943 4.098 -0.155 18296 7270 1 18 . 1 1 15 15 ARG C C 322 176.870 176.870 175.703 1.167 18296 7271 1 18 . 1 1 15 15 ARG CA C 322 56.737 56.737 56.257 0.480 18296 7272 1 18 . 1 1 15 15 ARG CB C 322 30.230 30.230 29.785 0.445 18296 7273 1 18 . 1 1 15 15 ARG H H 322 8.077 8.077 8.155 -0.078 18296 7274 1 18 . 1 1 16 16 TRP N N 323 120.113 120.113 128.817 -8.704 18296 7275 1 18 . 1 1 16 16 TRP HA H 323 4.471 4.471 4.806 -0.335 18296 7276 1 18 . 1 1 16 16 TRP C C 323 177.322 177.322 175.516 1.806 18296 7277 1 18 . 1 1 16 16 TRP CA C 323 57.143 57.143 54.241 2.902 18296 7278 1 18 . 1 1 16 16 TRP CB C 323 29.192 29.192 27.396 1.796 18296 7279 1 18 . 1 1 16 16 TRP H H 323 7.634 7.634 8.363 -0.729 18296 7280 1 18 . 1 1 17 17 LYS N N 324 121.400 121.400 118.113 3.287 18296 7281 1 18 . 1 1 17 17 LYS HA H 324 3.951 3.951 3.909 0.042 18296 7282 1 18 . 1 1 17 17 LYS C C 324 179.457 179.457 175.652 3.805 18296 7283 1 18 . 1 1 17 17 LYS CA C 324 56.502 56.502 56.965 -0.463 18296 7284 1 18 . 1 1 17 17 LYS CB C 324 32.867 32.867 32.639 0.228 18296 7285 1 18 . 1 1 17 17 LYS H H 324 7.735 7.735 7.763 -0.028 18296 7286 1 18 . 1 1 18 18 LEU N N 325 121.064 121.064 119.698 1.366 18296 7287 1 18 . 1 1 18 18 LEU HA H 325 4.141 4.141 4.348 -0.207 18296 7288 1 18 . 1 1 18 18 LEU C C 325 176.781 176.781 176.241 0.540 18296 7289 1 18 . 1 1 18 18 LEU CA C 325 54.574 54.574 55.433 -0.859 18296 7290 1 18 . 1 1 18 18 LEU CB C 325 42.252 42.252 40.772 1.480 18296 7291 1 18 . 1 1 18 18 LEU H H 325 7.708 7.708 8.244 -0.536 18296 7292 1 18 . 1 1 19 19 THR N N 326 117.252 117.252 117.097 0.155 18296 7293 1 18 . 1 1 19 19 THR HA H 326 3.935 3.935 4.601 -0.666 18296 7294 1 18 . 1 1 19 19 THR C C 326 180.854 180.854 174.316 6.538 18296 7295 1 18 . 1 1 19 19 THR CA C 326 61.977 61.977 60.974 1.003 18296 7296 1 18 . 1 1 19 19 THR CB C 326 70.166 70.166 70.518 -0.352 18296 7297 1 18 . 1 1 19 19 THR H H 326 7.915 7.915 7.652 0.263 18296 7298 1 18 . 1 1 20 20 CYS N N 327 127.254 127.254 121.359 5.895 18296 7299 1 18 . 1 1 20 20 CYS HA H 327 4.324 4.324 5.035 -0.711 18296 7300 1 18 . 1 1 20 20 CYS C C 327 175.898 175.898 176.428 -0.530 18296 7301 1 18 . 1 1 20 20 CYS CA C 327 57.928 57.928 58.447 -0.519 18296 7302 1 18 . 1 1 20 20 CYS CB C 327 31.298 31.298 28.853 2.445 18296 7303 1 18 . 1 1 20 20 CYS H H 327 8.055 8.055 8.847 -0.792 18296 7304 1 18 . 1 1 21 21 TYR N N 328 129.752 129.752 119.904 9.848 18296 7305 1 18 . 1 1 21 21 TYR HA H 328 4.488 4.488 4.763 -0.275 18296 7306 1 18 . 1 1 21 21 TYR C C 328 178.625 178.625 176.390 2.235 18296 7307 1 18 . 1 1 21 21 TYR CA C 328 58.951 58.951 59.371 -0.420 18296 7308 1 18 . 1 1 21 21 TYR CB C 328 37.712 37.712 38.575 -0.863 18296 7309 1 18 . 1 1 21 21 TYR H H 328 9.082 9.082 8.582 0.500 18296 7310 1 18 . 1 1 22 22 LEU N N 329 124.057 124.057 120.562 3.495 18296 7311 1 18 . 1 1 22 22 LEU HA H 329 3.749 3.749 4.174 -0.425 18296 7312 1 18 . 1 1 22 22 LEU C C 329 176.268 176.268 176.223 0.045 18296 7313 1 18 . 1 1 22 22 LEU CA C 329 56.514 56.514 55.244 1.270 18296 7314 1 18 . 1 1 22 22 LEU CB C 329 42.975 42.975 42.264 0.711 18296 7315 1 18 . 1 1 22 22 LEU H H 329 8.140 8.140 7.433 0.707 18296 7316 1 18 . 1 1 23 23 CYS N N 330 117.734 117.734 115.334 2.400 18296 7317 1 18 . 1 1 23 23 CYS HA H 330 4.741 4.741 4.762 -0.021 18296 7318 1 18 . 1 1 23 23 CYS C C 330 177.769 177.769 172.784 4.985 18296 7319 1 18 . 1 1 23 23 CYS CA C 330 58.459 58.459 56.233 2.226 18296 7320 1 18 . 1 1 23 23 CYS CB C 330 30.918 30.918 30.215 0.703 18296 7321 1 18 . 1 1 23 23 CYS H H 330 7.971 7.971 7.477 0.494 18296 7322 1 18 . 1 1 24 24 LYS N N 331 118.437 118.437 121.099 -2.662 18296 7323 1 18 . 1 1 24 24 LYS HA H 331 3.980 3.980 4.657 -0.677 18296 7324 1 18 . 1 1 24 24 LYS C C 331 178.178 178.178 175.630 2.548 18296 7325 1 18 . 1 1 24 24 LYS CA C 331 57.520 57.520 56.262 1.258 18296 7326 1 18 . 1 1 24 24 LYS CB C 331 29.278 29.278 31.973 -2.695 18296 7327 1 18 . 1 1 24 24 LYS H H 331 7.842 7.842 8.411 -0.569 18296 7328 1 18 . 1 1 25 25 GLN N N 332 118.445 118.445 119.412 -0.967 18296 7329 1 18 . 1 1 25 25 GLN HA H 332 4.574 4.574 4.637 -0.063 18296 7330 1 18 . 1 1 25 25 GLN C C 332 177.619 177.619 175.393 2.226 18296 7331 1 18 . 1 1 25 25 GLN CA C 332 54.362 54.362 54.669 -0.307 18296 7332 1 18 . 1 1 25 25 GLN CB C 332 31.843 31.843 31.763 0.080 18296 7333 1 18 . 1 1 25 25 GLN H H 332 8.306 8.306 7.930 0.376 18296 7334 1 18 . 1 1 26 26 LYS N N 333 122.851 122.851 116.012 6.839 18296 7335 1 18 . 1 1 26 26 LYS HA H 333 4.222 4.222 4.455 -0.233 18296 7336 1 18 . 1 1 26 26 LYS C C 333 175.456 175.456 175.891 -0.435 18296 7337 1 18 . 1 1 26 26 LYS CA C 333 57.729 57.729 56.663 1.066 18296 7338 1 18 . 1 1 26 26 LYS CB C 333 32.925 32.925 32.909 0.016 18296 7339 1 18 . 1 1 26 26 LYS H H 333 8.545 8.545 8.446 0.099 18296 7340 1 18 . 1 1 27 27 GLY N N 334 107.216 107.216 109.905 -2.689 18296 7341 1 18 . 1 1 27 27 GLY C C 334 180.017 180.017 173.591 6.426 18296 7342 1 18 . 1 1 27 27 GLY CA C 334 45.559 45.559 45.173 0.386 18296 7343 1 18 . 1 1 27 27 GLY H H 334 8.348 8.348 8.293 0.055 18296 7344 1 18 . 1 1 28 28 VAL N N 335 117.437 117.437 124.776 -7.339 18296 7345 1 18 . 1 1 28 28 VAL HA H 335 4.133 4.133 4.206 -0.073 18296 7346 1 18 . 1 1 28 28 VAL C C 335 177.439 177.439 176.175 1.264 18296 7347 1 18 . 1 1 28 28 VAL CA C 335 61.502 61.502 62.838 -1.336 18296 7348 1 18 . 1 1 28 28 VAL CB C 335 33.563 33.563 32.841 0.722 18296 7349 1 18 . 1 1 28 28 VAL H H 335 7.867 7.867 8.266 -0.399 18296 7350 1 18 . 1 1 29 29 GLY N N 336 110.723 110.723 108.845 1.878 18296 7351 1 18 . 1 1 29 29 GLY C C 336 180.088 180.088 173.457 6.631 18296 7352 1 18 . 1 1 29 29 GLY CA C 336 44.344 44.344 46.154 -1.810 18296 7353 1 18 . 1 1 29 29 GLY H H 336 8.186 8.186 8.478 -0.292 18296 7354 1 18 . 1 1 30 30 ALA N N 337 122.643 122.643 122.744 -0.101 18296 7355 1 18 . 1 1 30 30 ALA HA H 337 4.193 4.193 4.789 -0.596 18296 7356 1 18 . 1 1 30 30 ALA C C 337 175.274 175.274 175.266 0.008 18296 7357 1 18 . 1 1 30 30 ALA CA C 337 52.904 52.904 51.715 1.189 18296 7358 1 18 . 1 1 30 30 ALA CB C 337 19.677 19.677 20.689 -1.012 18296 7359 1 18 . 1 1 30 30 ALA H H 337 8.269 8.269 7.844 0.425 18296 7360 1 18 . 1 1 31 31 SER N N 338 117.644 117.644 115.764 1.880 18296 7361 1 18 . 1 1 31 31 SER HA H 338 4.775 4.775 4.852 -0.077 18296 7362 1 18 . 1 1 31 31 SER C C 338 180.923 180.923 173.193 7.730 18296 7363 1 18 . 1 1 31 31 SER CA C 338 57.406 57.406 57.520 -0.114 18296 7364 1 18 . 1 1 31 31 SER CB C 338 65.388 65.388 65.233 0.155 18296 7365 1 18 . 1 1 31 31 SER H H 338 8.415 8.415 8.350 0.065 18296 7366 1 18 . 1 1 32 32 ILE N N 339 121.240 121.240 123.983 -2.743 18296 7367 1 18 . 1 1 32 32 ILE HA H 339 4.123 4.123 4.324 -0.201 18296 7368 1 18 . 1 1 32 32 ILE C C 339 181.302 181.302 173.560 7.742 18296 7369 1 18 . 1 1 32 32 ILE CA C 339 59.768 59.768 59.071 0.697 18296 7370 1 18 . 1 1 32 32 ILE CB C 339 41.252 41.252 41.262 -0.010 18296 7371 1 18 . 1 1 32 32 ILE H H 339 8.522 8.522 8.886 -0.364 18296 7372 1 18 . 1 1 33 33 GLN N N 340 120.384 120.384 125.193 -4.809 18296 7373 1 18 . 1 1 33 33 GLN HA H 340 4.335 4.335 4.833 -0.498 18296 7374 1 18 . 1 1 33 33 GLN C C 340 179.377 179.377 174.694 4.683 18296 7375 1 18 . 1 1 33 33 GLN CA C 340 53.739 53.739 54.441 -0.702 18296 7376 1 18 . 1 1 33 33 GLN CB C 340 32.179 32.179 31.947 0.232 18296 7377 1 18 . 1 1 33 33 GLN H H 340 7.720 7.720 8.202 -0.482 18296 7378 1 18 . 1 1 34 34 CYS N N 341 125.463 125.463 126.185 -0.722 18296 7379 1 18 . 1 1 34 34 CYS HA H 341 4.036 4.036 4.750 -0.714 18296 7380 1 18 . 1 1 34 34 CYS C C 341 178.269 178.269 176.196 2.073 18296 7381 1 18 . 1 1 34 34 CYS CA C 341 60.992 60.992 58.965 2.027 18296 7382 1 18 . 1 1 34 34 CYS CB C 341 32.346 32.346 28.147 4.199 18296 7383 1 18 . 1 1 34 34 CYS H H 341 8.292 8.292 8.610 -0.318 18296 7384 1 18 . 1 1 35 35 HIS N N 342 126.611 126.611 128.208 -1.597 18296 7385 1 18 . 1 1 35 35 HIS HA H 342 4.128 4.128 4.329 -0.201 18296 7386 1 18 . 1 1 35 35 HIS CA C 342 57.556 57.556 57.643 -0.087 18296 7387 1 18 . 1 1 35 35 HIS CB C 342 29.945 29.945 30.994 -1.049 18296 7388 1 18 . 1 1 35 35 HIS H H 342 8.722 8.722 8.823 -0.101 18296 7389 1 18 . 1 1 36 36 LYS N N 343 124.049 124.049 116.284 7.765 18296 7390 1 18 . 1 1 36 36 LYS HA H 343 3.940 3.940 3.914 0.026 18296 7391 1 18 . 1 1 36 36 LYS C C 343 176.701 176.701 176.204 0.497 18296 7392 1 18 . 1 1 36 36 LYS CA C 343 56.155 56.155 56.398 -0.243 18296 7393 1 18 . 1 1 36 36 LYS CB C 343 33.033 33.033 32.502 0.532 18296 7394 1 18 . 1 1 36 36 LYS H H 343 8.567 8.567 8.133 0.434 18296 7395 1 18 . 1 1 37 37 ALA N N 344 130.751 130.751 128.001 2.750 18296 7396 1 18 . 1 1 37 37 ALA HA H 344 3.733 3.733 3.563 0.170 18296 7397 1 18 . 1 1 37 37 ALA C C 344 175.302 175.302 177.780 -2.478 18296 7398 1 18 . 1 1 37 37 ALA CA C 344 53.917 53.917 53.981 -0.064 18296 7399 1 18 . 1 1 37 37 ALA CB C 344 18.206 18.206 18.442 -0.236 18296 7400 1 18 . 1 1 37 37 ALA H H 344 8.363 8.363 8.545 -0.182 18296 7401 1 18 . 1 1 38 38 ASN N N 345 114.094 114.094 116.378 -2.284 18296 7402 1 18 . 1 1 38 38 ASN HA H 345 3.885 3.885 4.597 -0.712 18296 7403 1 18 . 1 1 38 38 ASN C C 345 181.195 181.195 176.433 4.762 18296 7404 1 18 . 1 1 38 38 ASN CA C 345 53.606 53.606 55.035 -1.429 18296 7405 1 18 . 1 1 38 38 ASN CB C 345 37.443 37.443 38.384 -0.941 18296 7406 1 18 . 1 1 38 38 ASN H H 345 8.292 8.292 8.485 -0.193 18296 7407 1 18 . 1 1 39 39 CYS N N 346 121.417 121.417 118.394 3.023 18296 7408 1 18 . 1 1 39 39 CYS C C 346 178.723 178.723 175.197 3.526 18296 7409 1 18 . 1 1 39 39 CYS H H 346 7.283 7.283 7.790 -0.507 18296 7410 1 18 . 1 1 40 40 TYR HA H 347 4.212 4.212 4.262 -0.050 18296 7411 1 18 . 1 1 40 40 TYR C C 347 178.156 178.156 174.410 3.746 18296 7412 1 18 . 1 1 40 40 TYR CA C 347 56.478 56.478 59.101 -2.623 18296 7413 1 18 . 1 1 40 40 TYR CB C 347 37.446 37.446 35.948 1.498 18296 7414 1 18 . 1 1 40 40 TYR H H 347 7.923 7.923 8.108 -0.185 18296 7415 1 18 . 1 1 41 41 THR N N 348 122.674 122.674 116.258 6.416 18296 7416 1 18 . 1 1 41 41 THR HA H 348 3.806 3.806 4.720 -0.914 18296 7417 1 18 . 1 1 41 41 THR C C 348 182.343 182.343 173.323 9.020 18296 7418 1 18 . 1 1 41 41 THR CA C 348 64.932 64.932 61.720 3.212 18296 7419 1 18 . 1 1 41 41 THR CB C 348 68.772 68.772 71.230 -2.458 18296 7420 1 18 . 1 1 41 41 THR H H 348 8.421 8.421 7.769 0.652 18296 7421 1 18 . 1 1 42 42 ALA N N 349 130.177 130.177 127.660 2.517 18296 7422 1 18 . 1 1 42 42 ALA HA H 349 4.967 4.967 5.295 -0.328 18296 7423 1 18 . 1 1 42 42 ALA C C 349 176.955 176.955 175.781 1.174 18296 7424 1 18 . 1 1 42 42 ALA CA C 349 49.997 49.997 51.009 -1.012 18296 7425 1 18 . 1 1 42 42 ALA CB C 349 23.467 23.467 21.398 2.069 18296 7426 1 18 . 1 1 42 42 ALA H H 349 8.856 8.856 8.732 0.124 18296 7427 1 18 . 1 1 43 43 PHE N N 350 113.053 113.053 119.405 -6.352 18296 7428 1 18 . 1 1 43 43 PHE HA H 350 5.525 5.525 5.023 0.502 18296 7429 1 18 . 1 1 43 43 PHE C C 350 177.894 177.894 173.669 4.225 18296 7430 1 18 . 1 1 43 43 PHE CA C 350 53.625 53.625 55.447 -1.822 18296 7431 1 18 . 1 1 43 43 PHE CB C 350 39.459 39.459 40.642 -1.183 18296 7432 1 18 . 1 1 43 43 PHE H H 350 7.912 7.912 8.923 -1.011 18296 7433 1 18 . 1 1 44 44 HIS N N 351 118.497 118.497 117.819 0.678 18296 7434 1 18 . 1 1 44 44 HIS HA H 351 4.892 4.892 4.980 -0.088 18296 7435 1 18 . 1 1 44 44 HIS C C 351 176.371 176.371 176.866 -0.495 18296 7436 1 18 . 1 1 44 44 HIS CA C 351 58.019 58.019 55.667 2.352 18296 7437 1 18 . 1 1 44 44 HIS CB C 351 31.716 31.716 31.105 0.611 18296 7438 1 18 . 1 1 44 44 HIS H H 351 9.335 9.335 8.412 0.923 18296 7439 1 18 . 1 1 45 45 VAL N N 352 124.407 124.407 120.878 3.529 18296 7440 1 18 . 1 1 45 45 VAL HA H 352 3.476 3.476 3.693 -0.217 18296 7441 1 18 . 1 1 45 45 VAL C C 352 175.305 175.305 177.597 -2.292 18296 7442 1 18 . 1 1 45 45 VAL CA C 352 67.359 67.359 66.832 0.527 18296 7443 1 18 . 1 1 45 45 VAL CB C 352 31.627 31.627 31.853 -0.226 18296 7444 1 18 . 1 1 45 45 VAL H H 352 8.654 8.654 8.605 0.049 18296 7445 1 18 . 1 1 46 46 THR N N 353 111.166 111.166 115.298 -4.132 18296 7446 1 18 . 1 1 46 46 THR HA H 353 3.997 3.997 4.048 -0.051 18296 7447 1 18 . 1 1 46 46 THR C C 353 175.010 175.010 176.444 -1.434 18296 7448 1 18 . 1 1 46 46 THR CA C 353 65.008 65.008 65.652 -0.644 18296 7449 1 18 . 1 1 46 46 THR CB C 353 67.830 67.830 68.665 -0.835 18296 7450 1 18 . 1 1 46 46 THR H H 353 8.370 8.370 8.231 0.139 18296 7451 1 18 . 1 1 47 47 CYS N N 354 120.975 120.975 118.819 2.156 18296 7452 1 18 . 1 1 47 47 CYS HA H 354 3.762 3.762 4.147 -0.385 18296 7453 1 18 . 1 1 47 47 CYS C C 354 175.912 175.912 176.840 -0.928 18296 7454 1 18 . 1 1 47 47 CYS CA C 354 63.372 63.372 62.538 0.834 18296 7455 1 18 . 1 1 47 47 CYS CB C 354 29.076 29.076 25.709 3.366 18296 7456 1 18 . 1 1 47 47 CYS H H 354 6.668 6.668 8.649 -1.981 18296 7457 1 18 . 1 1 48 48 ALA N N 355 123.247 123.247 123.071 0.176 18296 7458 1 18 . 1 1 48 48 ALA HA H 355 3.511 3.511 4.127 -0.616 18296 7459 1 18 . 1 1 48 48 ALA C C 355 174.031 174.031 179.632 -5.601 18296 7460 1 18 . 1 1 48 48 ALA CA C 355 55.045 55.045 55.243 -0.198 18296 7461 1 18 . 1 1 48 48 ALA CB C 355 19.962 19.962 18.800 1.162 18296 7462 1 18 . 1 1 48 48 ALA H H 355 8.481 8.481 8.023 0.458 18296 7463 1 18 . 1 1 49 49 GLN N N 356 118.150 118.150 117.133 1.017 18296 7464 1 18 . 1 1 49 49 GLN HA H 356 4.003 4.003 4.036 -0.033 18296 7465 1 18 . 1 1 49 49 GLN C C 356 173.755 173.755 178.442 -4.687 18296 7466 1 18 . 1 1 49 49 GLN CA C 356 58.728 58.728 58.577 0.151 18296 7467 1 18 . 1 1 49 49 GLN CB C 356 28.196 28.196 28.653 -0.457 18296 7468 1 18 . 1 1 49 49 GLN H H 356 8.055 8.055 7.850 0.205 18296 7469 1 18 . 1 1 50 50 LYS N N 357 120.248 120.248 118.775 1.473 18296 7470 1 18 . 1 1 50 50 LYS HA H 357 3.866 3.866 4.187 -0.321 18296 7471 1 18 . 1 1 50 50 LYS C C 357 175.624 175.624 178.350 -2.726 18296 7472 1 18 . 1 1 50 50 LYS CA C 357 58.989 58.989 58.011 0.978 18296 7473 1 18 . 1 1 50 50 LYS CB C 357 32.377 32.377 32.422 -0.045 18296 7474 1 18 . 1 1 50 50 LYS H H 357 7.628 7.628 7.672 -0.044 18296 7475 1 18 . 1 1 51 51 ALA N N 358 118.343 118.343 119.916 -1.573 18296 7476 1 18 . 1 1 51 51 ALA HA H 358 4.138 4.138 4.217 -0.079 18296 7477 1 18 . 1 1 51 51 ALA C C 358 176.132 176.132 178.181 -2.049 18296 7478 1 18 . 1 1 51 51 ALA CA C 358 52.263 52.263 53.389 -1.126 18296 7479 1 18 . 1 1 51 51 ALA CB C 358 19.690 19.690 19.713 -0.023 18296 7480 1 18 . 1 1 51 51 ALA H H 358 7.558 7.558 7.760 -0.202 18296 7481 1 18 . 1 1 52 52 GLY N N 359 107.058 107.058 107.152 -0.094 18296 7482 1 18 . 1 1 52 52 GLY C C 359 178.221 178.221 173.813 4.408 18296 7483 1 18 . 1 1 52 52 GLY CA C 359 46.323 46.323 44.981 1.342 18296 7484 1 18 . 1 1 52 52 GLY H H 359 7.481 7.481 8.187 -0.706 18296 7485 1 18 . 1 1 53 53 LEU N N 360 118.335 118.335 115.926 2.409 18296 7486 1 18 . 1 1 53 53 LEU HA H 360 4.002 4.002 4.932 -0.930 18296 7487 1 18 . 1 1 53 53 LEU C C 360 176.917 176.917 176.065 0.852 18296 7488 1 18 . 1 1 53 53 LEU CA C 360 54.926 54.926 52.927 1.999 18296 7489 1 18 . 1 1 53 53 LEU CB C 360 39.949 39.949 43.258 -3.309 18296 7490 1 18 . 1 1 53 53 LEU H H 360 7.502 7.502 7.300 0.202 18296 7491 1 18 . 1 1 54 54 TYR N N 361 124.191 124.191 121.194 2.997 18296 7492 1 18 . 1 1 54 54 TYR HA H 361 4.024 4.024 4.568 -0.544 18296 7493 1 18 . 1 1 54 54 TYR C C 361 178.584 178.584 174.773 3.811 18296 7494 1 18 . 1 1 54 54 TYR CA C 361 59.385 59.385 58.784 0.601 18296 7495 1 18 . 1 1 54 54 TYR CB C 361 39.068 39.068 40.105 -1.036 18296 7496 1 18 . 1 1 54 54 TYR H H 361 9.307 9.307 8.763 0.544 18296 7497 1 18 . 1 1 55 55 MET N N 362 127.473 127.473 125.342 2.131 18296 7498 1 18 . 1 1 55 55 MET HA H 362 4.953 4.953 4.597 0.356 18296 7499 1 18 . 1 1 55 55 MET C C 362 179.342 179.342 174.703 4.639 18296 7500 1 18 . 1 1 55 55 MET CA C 362 54.918 54.918 54.146 0.772 18296 7501 1 18 . 1 1 55 55 MET CB C 362 35.857 35.857 35.029 0.828 18296 7502 1 18 . 1 1 55 55 MET H H 362 7.575 7.575 7.836 -0.261 18296 7503 1 18 . 1 1 56 56 LYS N N 363 124.429 124.429 124.974 -0.545 18296 7504 1 18 . 1 1 56 56 LYS HA H 363 4.339 4.339 4.496 -0.157 18296 7505 1 18 . 1 1 56 56 LYS C C 363 178.541 178.541 175.313 3.228 18296 7506 1 18 . 1 1 56 56 LYS CA C 363 54.939 54.939 56.028 -1.089 18296 7507 1 18 . 1 1 56 56 LYS CB C 363 35.977 35.977 34.235 1.742 18296 7508 1 18 . 1 1 56 56 LYS H H 363 8.575 8.575 8.019 0.556 18296 7509 1 18 . 1 1 57 57 MET N N 364 123.350 123.350 119.422 3.928 18296 7510 1 18 . 1 1 57 57 MET HA H 364 4.801 4.801 4.626 0.175 18296 7511 1 18 . 1 1 57 57 MET C C 364 178.016 178.016 174.357 3.659 18296 7512 1 18 . 1 1 57 57 MET CA C 364 54.111 54.111 55.714 -1.603 18296 7513 1 18 . 1 1 57 57 MET H H 364 8.484 8.484 8.446 0.038 18296 7514 1 18 . 1 1 58 58 GLU N N 365 121.319 121.319 122.669 -1.350 18296 7515 1 18 . 1 1 58 58 GLU H H 365 8.193 8.193 8.570 -0.377 18296 7516 1 18 . 1 1 59 59 PRO HA H 366 4.665 4.665 4.230 0.435 18296 7517 1 18 . 1 1 59 59 PRO C C 366 176.742 176.742 176.321 0.421 18296 7518 1 18 . 1 1 59 59 PRO CA C 366 62.524 62.524 63.331 -0.807 18296 7519 1 18 . 1 1 59 59 PRO CB C 366 32.125 32.125 31.721 0.404 18296 7520 1 18 . 1 1 60 60 VAL N N 367 122.754 122.754 119.442 3.312 18296 7521 1 18 . 1 1 60 60 VAL HA H 367 4.105 4.105 4.521 -0.416 18296 7522 1 18 . 1 1 60 60 VAL C C 367 178.435 178.435 174.637 3.798 18296 7523 1 18 . 1 1 60 60 VAL CA C 367 61.529 61.529 59.248 2.281 18296 7524 1 18 . 1 1 60 60 VAL CB C 367 34.057 34.057 34.960 -0.903 18296 7525 1 18 . 1 1 60 60 VAL H H 367 8.509 8.509 8.519 -0.010 18296 7526 1 18 . 1 1 61 61 LYS N N 368 126.381 126.381 120.035 6.346 18296 7527 1 18 . 1 1 61 61 LYS HA H 368 4.180 4.180 4.407 -0.227 18296 7528 1 18 . 1 1 61 61 LYS C C 368 177.499 177.499 175.524 1.975 18296 7529 1 18 . 1 1 61 61 LYS CA C 368 56.047 56.047 55.270 0.777 18296 7530 1 18 . 1 1 61 61 LYS CB C 368 33.313 33.313 35.130 -1.817 18296 7531 1 18 . 1 1 61 61 LYS H H 368 8.379 8.379 8.364 0.015 18296 7532 1 18 . 1 1 62 62 GLU N N 369 123.927 123.927 117.842 6.085 18296 7533 1 18 . 1 1 62 62 GLU HA H 369 4.246 4.246 4.562 -0.316 18296 7534 1 18 . 1 1 62 62 GLU C C 369 177.861 177.861 174.564 3.297 18296 7535 1 18 . 1 1 62 62 GLU CA C 369 55.596 55.596 56.062 -0.466 18296 7536 1 18 . 1 1 62 62 GLU CB C 369 31.289 31.289 32.726 -1.437 18296 7537 1 18 . 1 1 62 62 GLU H H 369 8.355 8.355 8.364 -0.009 18296 7538 1 18 . 1 1 63 63 LEU N N 370 124.406 124.406 121.017 3.389 18296 7539 1 18 . 1 1 63 63 LEU HA H 370 4.356 4.356 4.908 -0.552 18296 7540 1 18 . 1 1 63 63 LEU C C 370 176.026 176.026 175.347 0.679 18296 7541 1 18 . 1 1 63 63 LEU CA C 370 55.223 55.223 55.993 -0.770 18296 7542 1 18 . 1 1 63 63 LEU CB C 370 42.061 42.061 42.206 -0.145 18296 7543 1 18 . 1 1 63 63 LEU H H 370 8.419 8.419 8.583 -0.164 18296 7544 1 18 . 1 1 64 64 THR N N 371 114.722 114.722 116.199 -1.477 18296 7545 1 18 . 1 1 64 64 THR HA H 371 4.306 4.306 4.401 -0.095 18296 7546 1 18 . 1 1 64 64 THR C C 371 178.158 178.158 175.234 2.924 18296 7547 1 18 . 1 1 64 64 THR CA C 371 61.196 61.196 62.255 -1.059 18296 7548 1 18 . 1 1 64 64 THR CB C 371 70.416 70.416 69.781 0.635 18296 7549 1 18 . 1 1 64 64 THR H H 371 7.966 7.966 7.742 0.224 18296 7550 1 18 . 1 1 65 65 GLY N N 372 111.711 111.711 110.048 1.663 18296 7551 1 18 . 1 1 65 65 GLY C C 372 178.512 178.512 175.182 3.330 18296 7552 1 18 . 1 1 65 65 GLY CA C 372 46.227 46.227 45.044 1.183 18296 7553 1 18 . 1 1 65 65 GLY H H 372 8.565 8.565 8.181 0.384 18296 7554 1 18 . 1 1 66 66 GLY N N 373 108.771 108.771 114.424 -5.653 18296 7555 1 18 . 1 1 66 66 GLY C C 373 178.999 178.999 174.892 4.107 18296 7556 1 18 . 1 1 66 66 GLY CA C 373 45.287 45.287 45.419 -0.132 18296 7557 1 18 . 1 1 66 66 GLY H H 373 8.227 8.227 8.007 0.220 18296 7558 1 18 . 1 1 67 67 GLY N N 374 108.901 108.901 110.432 -1.531 18296 7559 1 18 . 1 1 67 67 GLY C C 374 179.721 179.721 173.866 5.855 18296 7560 1 18 . 1 1 67 67 GLY CA C 374 44.987 44.987 44.407 0.580 18296 7561 1 18 . 1 1 67 67 GLY H H 374 7.876 7.876 8.092 -0.216 18296 7562 1 18 . 1 1 68 68 THR N N 375 114.505 114.505 116.438 -1.933 18296 7563 1 18 . 1 1 68 68 THR HA H 375 4.450 4.450 4.428 0.022 18296 7564 1 18 . 1 1 68 68 THR C C 375 178.997 178.997 174.572 4.425 18296 7565 1 18 . 1 1 68 68 THR CA C 375 61.900 61.900 64.426 -2.526 18296 7566 1 18 . 1 1 68 68 THR CB C 375 70.047 70.047 69.485 0.562 18296 7567 1 18 . 1 1 68 68 THR H H 375 8.112 8.112 8.163 -0.051 18296 7568 1 18 . 1 1 69 69 THR N N 376 118.054 118.054 116.887 1.167 18296 7569 1 18 . 1 1 69 69 THR HA H 376 4.302 4.302 4.634 -0.332 18296 7570 1 18 . 1 1 69 69 THR C C 376 180.403 180.403 173.534 6.869 18296 7571 1 18 . 1 1 69 69 THR CA C 376 61.114 61.114 60.896 0.218 18296 7572 1 18 . 1 1 69 69 THR CB C 376 70.422 70.422 71.162 -0.740 18296 7573 1 18 . 1 1 69 69 THR H H 376 8.259 8.259 8.331 -0.072 18296 7574 1 18 . 1 1 70 70 PHE N N 377 122.009 122.009 128.185 -6.176 18296 7575 1 18 . 1 1 70 70 PHE HA H 377 4.910 4.910 4.482 0.428 18296 7576 1 18 . 1 1 70 70 PHE C C 377 177.972 177.972 175.479 2.493 18296 7577 1 18 . 1 1 70 70 PHE CA C 377 57.227 57.227 59.401 -2.174 18296 7578 1 18 . 1 1 70 70 PHE CB C 377 40.873 40.873 39.775 1.098 18296 7579 1 18 . 1 1 70 70 PHE H H 377 8.351 8.351 8.894 -0.543 18296 7580 1 18 . 1 1 71 71 SER N N 378 117.853 117.853 124.129 -6.276 18296 7581 1 18 . 1 1 71 71 SER HA H 378 4.493 4.493 4.735 -0.242 18296 7582 1 18 . 1 1 71 71 SER C C 378 180.063 180.063 172.393 7.670 18296 7583 1 18 . 1 1 71 71 SER CA C 378 57.276 57.276 57.668 -0.392 18296 7584 1 18 . 1 1 71 71 SER CB C 378 64.612 64.612 65.092 -0.480 18296 7585 1 18 . 1 1 71 71 SER H H 378 8.519 8.519 8.547 -0.028 18296 7586 1 18 . 1 1 72 72 VAL N N 379 120.162 120.162 123.828 -3.666 18296 7587 1 18 . 1 1 72 72 VAL HA H 379 4.441 4.441 4.101 0.340 18296 7588 1 18 . 1 1 72 72 VAL C C 379 178.192 178.192 175.564 2.628 18296 7589 1 18 . 1 1 72 72 VAL CA C 379 61.369 61.369 61.626 -0.257 18296 7590 1 18 . 1 1 72 72 VAL CB C 379 33.944 33.944 33.314 0.630 18296 7591 1 18 . 1 1 72 72 VAL H H 379 8.277 8.277 8.412 -0.135 18296 7592 1 18 . 1 1 73 73 ARG N N 380 126.538 126.538 125.950 0.588 18296 7593 1 18 . 1 1 73 73 ARG HA H 380 4.430 4.430 4.578 -0.148 18296 7594 1 18 . 1 1 73 73 ARG C C 380 177.524 177.524 174.968 2.556 18296 7595 1 18 . 1 1 73 73 ARG CA C 380 54.744 54.744 54.650 0.094 18296 7596 1 18 . 1 1 73 73 ARG CB C 380 32.635 32.635 31.315 1.320 18296 7597 1 18 . 1 1 73 73 ARG H H 380 8.727 8.727 8.426 0.301 18296 7598 1 18 . 1 1 74 74 LYS N N 381 126.485 126.485 126.480 0.005 18296 7599 1 18 . 1 1 74 74 LYS HA H 381 4.613 4.613 4.446 0.167 18296 7600 1 18 . 1 1 74 74 LYS C C 381 178.050 178.050 175.850 2.200 18296 7601 1 18 . 1 1 74 74 LYS CA C 381 56.325 56.325 55.710 0.615 18296 7602 1 18 . 1 1 74 74 LYS CB C 381 33.149 33.149 33.963 -0.814 18296 7603 1 18 . 1 1 74 74 LYS H H 381 8.636 8.636 8.572 0.064 18296 7604 1 18 . 1 1 75 75 THR N N 382 120.767 120.767 121.466 -0.699 18296 7605 1 18 . 1 1 75 75 THR HA H 382 3.791 3.791 4.233 -0.442 18296 7606 1 18 . 1 1 75 75 THR C C 382 181.578 181.578 172.615 8.963 18296 7607 1 18 . 1 1 75 75 THR CA C 382 61.703 61.703 61.276 0.427 18296 7608 1 18 . 1 1 75 75 THR CB C 382 70.771 70.771 69.196 1.575 18296 7609 1 18 . 1 1 75 75 THR H H 382 8.544 8.544 8.287 0.257 18296 7610 1 18 . 1 1 76 76 ALA N N 383 126.390 126.390 128.714 -2.324 18296 7611 1 18 . 1 1 76 76 ALA HA H 383 5.358 5.358 4.662 0.696 18296 7612 1 18 . 1 1 76 76 ALA C C 383 178.931 178.931 175.989 2.942 18296 7613 1 18 . 1 1 76 76 ALA CA C 383 50.669 50.669 50.837 -0.168 18296 7614 1 18 . 1 1 76 76 ALA CB C 383 24.682 24.682 20.677 4.005 18296 7615 1 18 . 1 1 76 76 ALA H H 383 7.981 7.981 8.263 -0.282 18296 7616 1 18 . 1 1 77 77 TYR N N 384 116.182 116.182 122.406 -6.224 18296 7617 1 18 . 1 1 77 77 TYR HA H 384 5.920 5.920 4.700 1.220 18296 7618 1 18 . 1 1 77 77 TYR C C 384 177.384 177.384 176.680 0.704 18296 7619 1 18 . 1 1 77 77 TYR CA C 384 56.234 56.234 57.393 -1.159 18296 7620 1 18 . 1 1 77 77 TYR CB C 384 43.201 43.201 40.078 3.123 18296 7621 1 18 . 1 1 77 77 TYR H H 384 7.899 7.899 7.846 0.053 18296 7622 1 18 . 1 1 78 78 CYS N N 385 121.146 121.146 117.857 3.289 18296 7623 1 18 . 1 1 78 78 CYS HA H 385 4.312 4.312 4.152 0.160 18296 7624 1 18 . 1 1 78 78 CYS C C 385 178.543 178.543 176.185 2.358 18296 7625 1 18 . 1 1 78 78 CYS CA C 385 58.293 58.293 58.248 0.045 18296 7626 1 18 . 1 1 78 78 CYS CB C 385 29.815 29.815 28.863 0.952 18296 7627 1 18 . 1 1 78 78 CYS H H 385 9.855 9.855 8.485 1.370 18296 7628 1 18 . 1 1 79 79 ASP N N 386 115.334 115.334 120.142 -4.808 18296 7629 1 18 . 1 1 79 79 ASP HA H 386 3.946 3.946 4.568 -0.622 18296 7630 1 18 . 1 1 79 79 ASP C C 386 175.510 175.510 177.362 -1.852 18296 7631 1 18 . 1 1 79 79 ASP CA C 386 57.118 57.118 56.214 0.904 18296 7632 1 18 . 1 1 79 79 ASP CB C 386 40.495 40.495 41.390 -0.895 18296 7633 1 18 . 1 1 79 79 ASP H H 386 7.657 7.657 8.313 -0.656 18296 7634 1 18 . 1 1 80 80 VAL N N 387 119.872 119.872 117.268 2.604 18296 7635 1 18 . 1 1 80 80 VAL HA H 387 3.579 3.579 3.983 -0.404 18296 7636 1 18 . 1 1 80 80 VAL C C 387 176.437 176.437 175.613 0.824 18296 7637 1 18 . 1 1 80 80 VAL CA C 387 64.272 64.272 62.539 1.733 18296 7638 1 18 . 1 1 80 80 VAL CB C 387 31.798 31.798 31.497 0.301 18296 7639 1 18 . 1 1 80 80 VAL H H 387 7.601 7.601 7.362 0.239 18296 7640 1 18 . 1 1 81 81 HIS N N 388 119.244 119.244 118.469 0.775 18296 7641 1 18 . 1 1 81 81 HIS HA H 388 4.632 4.632 4.505 0.127 18296 7642 1 18 . 1 1 81 81 HIS C C 388 180.644 180.644 176.139 4.505 18296 7643 1 18 . 1 1 81 81 HIS CA C 388 56.212 56.212 58.565 -2.353 18296 7644 1 18 . 1 1 81 81 HIS CB C 388 31.774 31.774 31.158 0.616 18296 7645 1 18 . 1 1 81 81 HIS H H 388 7.385 7.385 7.796 -0.411 18296 7646 1 18 . 1 1 82 82 THR N N 389 117.899 117.899 114.105 3.794 18296 7647 1 18 . 1 1 82 82 THR HA H 389 3.733 3.733 4.377 -0.644 18296 7648 1 18 . 1 1 82 82 THR C C 389 181.155 181.155 173.987 7.168 18296 7649 1 18 . 1 1 82 82 THR CA C 389 61.844 61.844 64.231 -2.387 18296 7650 1 18 . 1 1 82 82 THR CB C 389 70.285 70.285 67.568 2.717 18296 7651 1 18 . 1 1 82 82 THR H H 389 7.133 7.133 8.017 -0.884 18296 7652 1 18 . 1 1 83 83 PRO HA H 390 4.192 4.192 4.363 -0.171 18296 7653 1 18 . 1 1 83 83 PRO CA C 390 61.509 61.509 63.971 -2.462 18296 7654 1 18 . 1 1 83 83 PRO CB C 390 30.773 30.773 30.345 0.428 18296 7655 1 18 . 1 1 84 84 PRO HA H 391 4.220 4.220 4.367 -0.147 18296 7656 1 18 . 1 1 84 84 PRO C C 391 175.949 175.949 176.262 -0.313 18296 7657 1 18 . 1 1 84 84 PRO CA C 391 63.032 63.032 62.860 0.172 18296 7658 1 18 . 1 1 84 84 PRO CB C 391 31.983 31.983 32.204 -0.221 18296 7659 1 18 . 1 1 85 85 GLY N N 392 109.626 109.626 107.228 2.398 18296 7660 1 18 . 1 1 85 85 GLY C C 392 179.223 179.223 172.883 6.340 18296 7661 1 18 . 1 1 85 85 GLY CA C 392 45.359 45.359 44.633 0.726 18296 7662 1 18 . 1 1 85 85 GLY H H 392 8.367 8.367 7.897 0.470 18296 7663 1 18 . 1 1 86 86 SER N N 393 115.675 115.675 115.766 -0.091 18296 7664 1 18 . 1 1 86 86 SER HA H 393 4.354 4.354 4.836 -0.482 18296 7665 1 18 . 1 1 86 86 SER C C 393 179.569 179.569 174.535 5.034 18296 7666 1 18 . 1 1 86 86 SER CA C 393 58.521 58.521 57.885 0.636 18296 7667 1 18 . 1 1 86 86 SER CB C 393 63.913 63.913 63.816 0.097 18296 7668 1 18 . 1 1 86 86 SER H H 393 8.022 8.022 8.320 -0.298 18296 7669 1 19 . 1 1 10 10 ASN N N 317 120.101 120.101 119.148 0.953 18296 7670 1 19 . 1 1 10 10 ASN HA H 317 4.501 4.501 4.742 -0.241 18296 7671 1 19 . 1 1 10 10 ASN C C 317 179.015 179.015 174.036 4.979 18296 7672 1 19 . 1 1 10 10 ASN CA C 317 53.191 53.191 53.536 -0.345 18296 7673 1 19 . 1 1 10 10 ASN CB C 317 38.650 38.650 39.763 -1.113 18296 7674 1 19 . 1 1 10 10 ASN H H 317 8.415 8.415 8.518 -0.103 18296 7675 1 19 . 1 1 11 11 ILE N N 318 122.869 122.869 120.687 2.182 18296 7676 1 19 . 1 1 11 11 ILE HA H 318 4.250 4.250 4.618 -0.368 18296 7677 1 19 . 1 1 11 11 ILE C C 318 179.506 179.506 174.085 5.421 18296 7678 1 19 . 1 1 11 11 ILE CA C 318 58.332 58.332 59.557 -1.225 18296 7679 1 19 . 1 1 11 11 ILE CB C 318 38.713 38.713 38.369 0.344 18296 7680 1 19 . 1 1 11 11 ILE H H 318 7.924 7.924 7.925 -0.001 18296 7681 1 19 . 1 1 12 12 PRO HA H 319 4.359 4.359 4.393 -0.034 18296 7682 1 19 . 1 1 12 12 PRO CA C 319 61.487 61.487 64.472 -2.985 18296 7683 1 19 . 1 1 12 12 PRO CB C 319 30.960 30.960 30.269 0.691 18296 7684 1 19 . 1 1 13 13 PRO HA H 320 3.968 3.968 4.460 -0.492 18296 7685 1 19 . 1 1 13 13 PRO C C 320 176.730 176.730 175.534 1.196 18296 7686 1 19 . 1 1 13 13 PRO CA C 320 62.874 62.874 63.479 -0.605 18296 7687 1 19 . 1 1 13 13 PRO CB C 320 31.948 31.948 32.520 -0.572 18296 7688 1 19 . 1 1 14 14 ALA N N 321 123.469 123.469 125.387 -1.918 18296 7689 1 19 . 1 1 14 14 ALA HA H 321 3.952 3.952 4.190 -0.238 18296 7690 1 19 . 1 1 14 14 ALA C C 321 175.208 175.208 176.324 -1.116 18296 7691 1 19 . 1 1 14 14 ALA CA C 321 52.876 52.876 51.617 1.259 18296 7692 1 19 . 1 1 14 14 ALA CB C 321 18.896 18.896 19.590 -0.695 18296 7693 1 19 . 1 1 14 14 ALA H H 321 8.108 8.108 8.098 0.010 18296 7694 1 19 . 1 1 15 15 ARG N N 322 118.725 118.725 121.830 -3.105 18296 7695 1 19 . 1 1 15 15 ARG HA H 322 3.943 3.943 4.089 -0.146 18296 7696 1 19 . 1 1 15 15 ARG C C 322 176.870 176.870 175.949 0.921 18296 7697 1 19 . 1 1 15 15 ARG CA C 322 56.737 56.737 56.090 0.646 18296 7698 1 19 . 1 1 15 15 ARG CB C 322 30.230 30.230 29.908 0.322 18296 7699 1 19 . 1 1 15 15 ARG H H 322 8.077 8.077 8.241 -0.164 18296 7700 1 19 . 1 1 16 16 TRP N N 323 120.113 120.113 126.658 -6.545 18296 7701 1 19 . 1 1 16 16 TRP HA H 323 4.471 4.471 4.891 -0.420 18296 7702 1 19 . 1 1 16 16 TRP C C 323 177.322 177.322 175.357 1.965 18296 7703 1 19 . 1 1 16 16 TRP CA C 323 57.143 57.143 52.635 4.508 18296 7704 1 19 . 1 1 16 16 TRP CB C 323 29.192 29.192 27.528 1.664 18296 7705 1 19 . 1 1 16 16 TRP H H 323 7.634 7.634 7.805 -0.171 18296 7706 1 19 . 1 1 17 17 LYS N N 324 121.400 121.400 124.370 -2.970 18296 7707 1 19 . 1 1 17 17 LYS HA H 324 3.951 3.951 4.543 -0.592 18296 7708 1 19 . 1 1 17 17 LYS C C 324 179.457 179.457 175.649 3.808 18296 7709 1 19 . 1 1 17 17 LYS CA C 324 56.502 56.502 56.106 0.396 18296 7710 1 19 . 1 1 17 17 LYS CB C 324 32.867 32.867 31.667 1.200 18296 7711 1 19 . 1 1 17 17 LYS H H 324 7.735 7.735 8.009 -0.274 18296 7712 1 19 . 1 1 18 18 LEU N N 325 121.064 121.064 125.312 -4.248 18296 7713 1 19 . 1 1 18 18 LEU HA H 325 4.141 4.141 4.634 -0.493 18296 7714 1 19 . 1 1 18 18 LEU C C 325 176.781 176.781 175.044 1.737 18296 7715 1 19 . 1 1 18 18 LEU CA C 325 54.574 54.574 55.472 -0.898 18296 7716 1 19 . 1 1 18 18 LEU CB C 325 42.252 42.252 45.462 -3.210 18296 7717 1 19 . 1 1 18 18 LEU H H 325 7.708 7.708 7.789 -0.081 18296 7718 1 19 . 1 1 19 19 THR N N 326 117.252 117.252 117.015 0.237 18296 7719 1 19 . 1 1 19 19 THR HA H 326 3.935 3.935 4.604 -0.669 18296 7720 1 19 . 1 1 19 19 THR C C 326 180.854 180.854 172.870 7.984 18296 7721 1 19 . 1 1 19 19 THR CA C 326 61.977 61.977 61.004 0.973 18296 7722 1 19 . 1 1 19 19 THR CB C 326 70.166 70.166 71.432 -1.266 18296 7723 1 19 . 1 1 19 19 THR H H 326 7.915 7.915 7.984 -0.069 18296 7724 1 19 . 1 1 20 20 CYS N N 327 127.254 127.254 124.074 3.180 18296 7725 1 19 . 1 1 20 20 CYS HA H 327 4.324 4.324 5.346 -1.022 18296 7726 1 19 . 1 1 20 20 CYS C C 327 175.898 175.898 176.991 -1.093 18296 7727 1 19 . 1 1 20 20 CYS CA C 327 57.928 57.928 56.694 1.234 18296 7728 1 19 . 1 1 20 20 CYS CB C 327 31.298 31.298 28.561 2.736 18296 7729 1 19 . 1 1 20 20 CYS H H 327 8.055 8.055 8.869 -0.814 18296 7730 1 19 . 1 1 21 21 TYR N N 328 129.752 129.752 125.892 3.860 18296 7731 1 19 . 1 1 21 21 TYR HA H 328 4.488 4.488 4.533 -0.045 18296 7732 1 19 . 1 1 21 21 TYR C C 328 178.625 178.625 176.303 2.322 18296 7733 1 19 . 1 1 21 21 TYR CA C 328 58.951 58.951 59.656 -0.705 18296 7734 1 19 . 1 1 21 21 TYR CB C 328 37.712 37.712 37.928 -0.216 18296 7735 1 19 . 1 1 21 21 TYR H H 328 9.082 9.082 8.744 0.338 18296 7736 1 19 . 1 1 22 22 LEU N N 329 124.057 124.057 119.347 4.710 18296 7737 1 19 . 1 1 22 22 LEU HA H 329 3.749 3.749 4.416 -0.667 18296 7738 1 19 . 1 1 22 22 LEU C C 329 176.268 176.268 176.782 -0.514 18296 7739 1 19 . 1 1 22 22 LEU CA C 329 56.514 56.514 54.602 1.912 18296 7740 1 19 . 1 1 22 22 LEU CB C 329 42.975 42.975 42.104 0.871 18296 7741 1 19 . 1 1 22 22 LEU H H 329 8.140 8.140 7.638 0.502 18296 7742 1 19 . 1 1 23 23 CYS N N 330 117.734 117.734 116.764 0.970 18296 7743 1 19 . 1 1 23 23 CYS HA H 330 4.741 4.741 4.827 -0.086 18296 7744 1 19 . 1 1 23 23 CYS C C 330 177.769 177.769 172.869 4.900 18296 7745 1 19 . 1 1 23 23 CYS CA C 330 58.459 58.459 57.389 1.070 18296 7746 1 19 . 1 1 23 23 CYS CB C 330 30.918 30.918 31.554 -0.636 18296 7747 1 19 . 1 1 23 23 CYS H H 330 7.971 7.971 7.180 0.791 18296 7748 1 19 . 1 1 24 24 LYS N N 331 118.437 118.437 120.925 -2.488 18296 7749 1 19 . 1 1 24 24 LYS HA H 331 3.980 3.980 4.524 -0.544 18296 7750 1 19 . 1 1 24 24 LYS C C 331 178.178 178.178 175.209 2.969 18296 7751 1 19 . 1 1 24 24 LYS CA C 331 57.520 57.520 56.442 1.078 18296 7752 1 19 . 1 1 24 24 LYS CB C 331 29.278 29.278 31.718 -2.440 18296 7753 1 19 . 1 1 24 24 LYS H H 331 7.842 7.842 8.460 -0.618 18296 7754 1 19 . 1 1 25 25 GLN N N 332 118.445 118.445 119.479 -1.034 18296 7755 1 19 . 1 1 25 25 GLN HA H 332 4.574 4.574 4.687 -0.113 18296 7756 1 19 . 1 1 25 25 GLN C C 332 177.619 177.619 173.950 3.669 18296 7757 1 19 . 1 1 25 25 GLN CA C 332 54.362 54.362 54.816 -0.454 18296 7758 1 19 . 1 1 25 25 GLN CB C 332 31.843 31.843 30.770 1.073 18296 7759 1 19 . 1 1 25 25 GLN H H 332 8.306 8.306 8.143 0.163 18296 7760 1 19 . 1 1 26 26 LYS N N 333 122.851 122.851 118.338 4.513 18296 7761 1 19 . 1 1 26 26 LYS HA H 333 4.222 4.222 4.516 -0.294 18296 7762 1 19 . 1 1 26 26 LYS C C 333 175.456 175.456 175.760 -0.304 18296 7763 1 19 . 1 1 26 26 LYS CA C 333 57.729 57.729 56.543 1.186 18296 7764 1 19 . 1 1 26 26 LYS CB C 333 32.925 32.925 32.832 0.093 18296 7765 1 19 . 1 1 26 26 LYS H H 333 8.545 8.545 8.234 0.311 18296 7766 1 19 . 1 1 27 27 GLY N N 334 107.216 107.216 113.844 -6.628 18296 7767 1 19 . 1 1 27 27 GLY C C 334 180.017 180.017 174.192 5.825 18296 7768 1 19 . 1 1 27 27 GLY CA C 334 45.559 45.559 44.944 0.615 18296 7769 1 19 . 1 1 27 27 GLY H H 334 8.348 8.348 8.594 -0.246 18296 7770 1 19 . 1 1 28 28 VAL N N 335 117.437 117.437 120.130 -2.693 18296 7771 1 19 . 1 1 28 28 VAL HA H 335 4.133 4.133 4.341 -0.208 18296 7772 1 19 . 1 1 28 28 VAL C C 335 177.439 177.439 176.237 1.202 18296 7773 1 19 . 1 1 28 28 VAL CA C 335 61.502 61.502 62.989 -1.487 18296 7774 1 19 . 1 1 28 28 VAL CB C 335 33.563 33.563 32.478 1.085 18296 7775 1 19 . 1 1 28 28 VAL H H 335 7.867 7.867 8.094 -0.227 18296 7776 1 19 . 1 1 29 29 GLY N N 336 110.723 110.723 110.826 -0.103 18296 7777 1 19 . 1 1 29 29 GLY C C 336 180.088 180.088 173.740 6.348 18296 7778 1 19 . 1 1 29 29 GLY CA C 336 44.344 44.344 45.916 -1.572 18296 7779 1 19 . 1 1 29 29 GLY H H 336 8.186 8.186 8.587 -0.401 18296 7780 1 19 . 1 1 30 30 ALA N N 337 122.643 122.643 125.397 -2.754 18296 7781 1 19 . 1 1 30 30 ALA HA H 337 4.193 4.193 4.835 -0.642 18296 7782 1 19 . 1 1 30 30 ALA C C 337 175.274 175.274 175.925 -0.651 18296 7783 1 19 . 1 1 30 30 ALA CA C 337 52.904 52.904 51.180 1.724 18296 7784 1 19 . 1 1 30 30 ALA CB C 337 19.677 19.677 20.423 -0.746 18296 7785 1 19 . 1 1 30 30 ALA H H 337 8.269 8.269 7.988 0.281 18296 7786 1 19 . 1 1 31 31 SER N N 338 117.644 117.644 116.223 1.421 18296 7787 1 19 . 1 1 31 31 SER HA H 338 4.775 4.775 5.241 -0.466 18296 7788 1 19 . 1 1 31 31 SER C C 338 180.923 180.923 173.271 7.652 18296 7789 1 19 . 1 1 31 31 SER CA C 338 57.406 57.406 57.025 0.381 18296 7790 1 19 . 1 1 31 31 SER CB C 338 65.388 65.388 65.863 -0.475 18296 7791 1 19 . 1 1 31 31 SER H H 338 8.415 8.415 8.378 0.037 18296 7792 1 19 . 1 1 32 32 ILE N N 339 121.240 121.240 120.393 0.847 18296 7793 1 19 . 1 1 32 32 ILE HA H 339 4.123 4.123 4.282 -0.159 18296 7794 1 19 . 1 1 32 32 ILE C C 339 181.302 181.302 172.952 8.350 18296 7795 1 19 . 1 1 32 32 ILE CA C 339 59.768 59.768 60.477 -0.709 18296 7796 1 19 . 1 1 32 32 ILE CB C 339 41.252 41.252 40.726 0.526 18296 7797 1 19 . 1 1 32 32 ILE H H 339 8.522 8.522 8.936 -0.414 18296 7798 1 19 . 1 1 33 33 GLN N N 340 120.384 120.384 123.930 -3.546 18296 7799 1 19 . 1 1 33 33 GLN HA H 340 4.335 4.335 4.936 -0.601 18296 7800 1 19 . 1 1 33 33 GLN C C 340 179.377 179.377 174.475 4.902 18296 7801 1 19 . 1 1 33 33 GLN CA C 340 53.739 53.739 54.468 -0.729 18296 7802 1 19 . 1 1 33 33 GLN CB C 340 32.179 32.179 32.614 -0.435 18296 7803 1 19 . 1 1 33 33 GLN H H 340 7.720 7.720 8.187 -0.467 18296 7804 1 19 . 1 1 34 34 CYS N N 341 125.463 125.463 125.980 -0.517 18296 7805 1 19 . 1 1 34 34 CYS HA H 341 4.036 4.036 4.997 -0.961 18296 7806 1 19 . 1 1 34 34 CYS C C 341 178.269 178.269 176.327 1.942 18296 7807 1 19 . 1 1 34 34 CYS CA C 341 60.992 60.992 58.546 2.446 18296 7808 1 19 . 1 1 34 34 CYS CB C 341 32.346 32.346 28.057 4.289 18296 7809 1 19 . 1 1 34 34 CYS H H 341 8.292 8.292 8.768 -0.476 18296 7810 1 19 . 1 1 35 35 HIS N N 342 126.611 126.611 128.191 -1.580 18296 7811 1 19 . 1 1 35 35 HIS HA H 342 4.128 4.128 4.344 -0.216 18296 7812 1 19 . 1 1 35 35 HIS CA C 342 57.556 57.556 57.632 -0.076 18296 7813 1 19 . 1 1 35 35 HIS CB C 342 29.945 29.945 31.072 -1.127 18296 7814 1 19 . 1 1 35 35 HIS H H 342 8.722 8.722 8.805 -0.083 18296 7815 1 19 . 1 1 36 36 LYS N N 343 124.049 124.049 117.016 7.033 18296 7816 1 19 . 1 1 36 36 LYS HA H 343 3.940 3.940 3.868 0.072 18296 7817 1 19 . 1 1 36 36 LYS C C 343 176.701 176.701 175.917 0.784 18296 7818 1 19 . 1 1 36 36 LYS CA C 343 56.155 56.155 56.058 0.097 18296 7819 1 19 . 1 1 36 36 LYS CB C 343 33.033 33.033 32.578 0.455 18296 7820 1 19 . 1 1 36 36 LYS H H 343 8.567 8.567 7.969 0.598 18296 7821 1 19 . 1 1 37 37 ALA N N 344 130.751 130.751 128.589 2.162 18296 7822 1 19 . 1 1 37 37 ALA HA H 344 3.733 3.733 3.218 0.515 18296 7823 1 19 . 1 1 37 37 ALA C C 344 175.302 175.302 177.538 -2.236 18296 7824 1 19 . 1 1 37 37 ALA CA C 344 53.917 53.917 53.588 0.329 18296 7825 1 19 . 1 1 37 37 ALA CB C 344 18.206 18.206 18.405 -0.200 18296 7826 1 19 . 1 1 37 37 ALA H H 344 8.363 8.363 8.454 -0.091 18296 7827 1 19 . 1 1 38 38 ASN N N 345 114.094 114.094 116.263 -2.169 18296 7828 1 19 . 1 1 38 38 ASN HA H 345 3.885 3.885 4.618 -0.733 18296 7829 1 19 . 1 1 38 38 ASN C C 345 181.195 181.195 176.411 4.784 18296 7830 1 19 . 1 1 38 38 ASN CA C 345 53.606 53.606 54.890 -1.284 18296 7831 1 19 . 1 1 38 38 ASN CB C 345 37.443 37.443 38.786 -1.343 18296 7832 1 19 . 1 1 38 38 ASN H H 345 8.292 8.292 8.438 -0.146 18296 7833 1 19 . 1 1 39 39 CYS N N 346 121.417 121.417 118.525 2.892 18296 7834 1 19 . 1 1 39 39 CYS C C 346 178.723 178.723 175.798 2.925 18296 7835 1 19 . 1 1 39 39 CYS H H 346 7.283 7.283 7.719 -0.436 18296 7836 1 19 . 1 1 40 40 TYR HA H 347 4.212 4.212 4.294 -0.082 18296 7837 1 19 . 1 1 40 40 TYR C C 347 178.156 178.156 174.380 3.776 18296 7838 1 19 . 1 1 40 40 TYR CA C 347 56.478 56.478 58.958 -2.480 18296 7839 1 19 . 1 1 40 40 TYR CB C 347 37.446 37.446 35.836 1.610 18296 7840 1 19 . 1 1 40 40 TYR H H 347 7.923 7.923 8.115 -0.192 18296 7841 1 19 . 1 1 41 41 THR N N 348 122.674 122.674 116.197 6.477 18296 7842 1 19 . 1 1 41 41 THR HA H 348 3.806 3.806 4.717 -0.911 18296 7843 1 19 . 1 1 41 41 THR C C 348 182.343 182.343 173.178 9.165 18296 7844 1 19 . 1 1 41 41 THR CA C 348 64.932 64.932 61.550 3.382 18296 7845 1 19 . 1 1 41 41 THR CB C 348 68.772 68.772 70.858 -2.086 18296 7846 1 19 . 1 1 41 41 THR H H 348 8.421 8.421 7.854 0.567 18296 7847 1 19 . 1 1 42 42 ALA N N 349 130.177 130.177 127.495 2.682 18296 7848 1 19 . 1 1 42 42 ALA HA H 349 4.967 4.967 5.405 -0.438 18296 7849 1 19 . 1 1 42 42 ALA C C 349 176.955 176.955 175.706 1.249 18296 7850 1 19 . 1 1 42 42 ALA CA C 349 49.997 49.997 50.736 -0.739 18296 7851 1 19 . 1 1 42 42 ALA CB C 349 23.467 23.467 21.696 1.771 18296 7852 1 19 . 1 1 42 42 ALA H H 349 8.856 8.856 8.934 -0.078 18296 7853 1 19 . 1 1 43 43 PHE N N 350 113.053 113.053 118.489 -5.436 18296 7854 1 19 . 1 1 43 43 PHE HA H 350 5.525 5.525 4.808 0.717 18296 7855 1 19 . 1 1 43 43 PHE C C 350 177.894 177.894 173.214 4.680 18296 7856 1 19 . 1 1 43 43 PHE CA C 350 53.625 53.625 56.318 -2.693 18296 7857 1 19 . 1 1 43 43 PHE CB C 350 39.459 39.459 40.553 -1.094 18296 7858 1 19 . 1 1 43 43 PHE H H 350 7.912 7.912 8.974 -1.062 18296 7859 1 19 . 1 1 44 44 HIS N N 351 118.497 118.497 119.286 -0.789 18296 7860 1 19 . 1 1 44 44 HIS HA H 351 4.892 4.892 5.011 -0.119 18296 7861 1 19 . 1 1 44 44 HIS C C 351 176.371 176.371 176.552 -0.181 18296 7862 1 19 . 1 1 44 44 HIS CA C 351 58.019 58.019 55.148 2.871 18296 7863 1 19 . 1 1 44 44 HIS CB C 351 31.716 31.716 30.838 0.878 18296 7864 1 19 . 1 1 44 44 HIS H H 351 9.335 9.335 8.315 1.020 18296 7865 1 19 . 1 1 45 45 VAL N N 352 124.407 124.407 121.852 2.555 18296 7866 1 19 . 1 1 45 45 VAL HA H 352 3.476 3.476 3.746 -0.270 18296 7867 1 19 . 1 1 45 45 VAL C C 352 175.305 175.305 177.966 -2.661 18296 7868 1 19 . 1 1 45 45 VAL CA C 352 67.359 67.359 66.814 0.545 18296 7869 1 19 . 1 1 45 45 VAL CB C 352 31.627 31.627 31.346 0.281 18296 7870 1 19 . 1 1 45 45 VAL H H 352 8.654 8.654 8.549 0.105 18296 7871 1 19 . 1 1 46 46 THR N N 353 111.166 111.166 115.672 -4.506 18296 7872 1 19 . 1 1 46 46 THR HA H 353 3.997 3.997 4.137 -0.140 18296 7873 1 19 . 1 1 46 46 THR C C 353 175.010 175.010 176.658 -1.648 18296 7874 1 19 . 1 1 46 46 THR CA C 353 65.008 65.008 64.887 0.121 18296 7875 1 19 . 1 1 46 46 THR CB C 353 67.830 67.830 68.407 -0.577 18296 7876 1 19 . 1 1 46 46 THR H H 353 8.370 8.370 8.256 0.114 18296 7877 1 19 . 1 1 47 47 CYS N N 354 120.975 120.975 119.734 1.241 18296 7878 1 19 . 1 1 47 47 CYS HA H 354 3.762 3.762 4.304 -0.542 18296 7879 1 19 . 1 1 47 47 CYS C C 354 175.912 175.912 176.997 -1.085 18296 7880 1 19 . 1 1 47 47 CYS CA C 354 63.372 63.372 62.518 0.854 18296 7881 1 19 . 1 1 47 47 CYS CB C 354 29.076 29.076 25.904 3.172 18296 7882 1 19 . 1 1 47 47 CYS H H 354 6.668 6.668 8.495 -1.827 18296 7883 1 19 . 1 1 48 48 ALA N N 355 123.247 123.247 123.164 0.083 18296 7884 1 19 . 1 1 48 48 ALA HA H 355 3.511 3.511 4.154 -0.643 18296 7885 1 19 . 1 1 48 48 ALA C C 355 174.031 174.031 179.605 -5.574 18296 7886 1 19 . 1 1 48 48 ALA CA C 355 55.045 55.045 55.214 -0.169 18296 7887 1 19 . 1 1 48 48 ALA CB C 355 19.962 19.962 18.821 1.141 18296 7888 1 19 . 1 1 48 48 ALA H H 355 8.481 8.481 8.029 0.452 18296 7889 1 19 . 1 1 49 49 GLN N N 356 118.150 118.150 117.562 0.588 18296 7890 1 19 . 1 1 49 49 GLN HA H 356 4.003 4.003 4.045 -0.042 18296 7891 1 19 . 1 1 49 49 GLN C C 356 173.755 173.755 178.486 -4.731 18296 7892 1 19 . 1 1 49 49 GLN CA C 356 58.728 58.728 58.486 0.242 18296 7893 1 19 . 1 1 49 49 GLN CB C 356 28.196 28.196 28.844 -0.648 18296 7894 1 19 . 1 1 49 49 GLN H H 356 8.055 8.055 7.873 0.182 18296 7895 1 19 . 1 1 50 50 LYS N N 357 120.248 120.248 118.195 2.053 18296 7896 1 19 . 1 1 50 50 LYS HA H 357 3.866 3.866 4.230 -0.364 18296 7897 1 19 . 1 1 50 50 LYS C C 357 175.624 175.624 178.136 -2.512 18296 7898 1 19 . 1 1 50 50 LYS CA C 357 58.989 58.989 57.791 1.198 18296 7899 1 19 . 1 1 50 50 LYS CB C 357 32.377 32.377 32.517 -0.140 18296 7900 1 19 . 1 1 50 50 LYS H H 357 7.628 7.628 7.856 -0.228 18296 7901 1 19 . 1 1 51 51 ALA N N 358 118.343 118.343 120.187 -1.844 18296 7902 1 19 . 1 1 51 51 ALA HA H 358 4.138 4.138 4.283 -0.145 18296 7903 1 19 . 1 1 51 51 ALA C C 358 176.132 176.132 178.334 -2.202 18296 7904 1 19 . 1 1 51 51 ALA CA C 358 52.263 52.263 53.192 -0.929 18296 7905 1 19 . 1 1 51 51 ALA CB C 358 19.690 19.690 19.618 0.072 18296 7906 1 19 . 1 1 51 51 ALA H H 358 7.558 7.558 7.701 -0.143 18296 7907 1 19 . 1 1 52 52 GLY N N 359 107.058 107.058 107.256 -0.198 18296 7908 1 19 . 1 1 52 52 GLY C C 359 178.221 178.221 173.699 4.522 18296 7909 1 19 . 1 1 52 52 GLY CA C 359 46.323 46.323 44.929 1.394 18296 7910 1 19 . 1 1 52 52 GLY H H 359 7.481 7.481 8.187 -0.706 18296 7911 1 19 . 1 1 53 53 LEU N N 360 118.335 118.335 116.135 2.200 18296 7912 1 19 . 1 1 53 53 LEU HA H 360 4.002 4.002 4.927 -0.925 18296 7913 1 19 . 1 1 53 53 LEU C C 360 176.917 176.917 176.143 0.774 18296 7914 1 19 . 1 1 53 53 LEU CA C 360 54.926 54.926 52.733 2.193 18296 7915 1 19 . 1 1 53 53 LEU CB C 360 39.949 39.949 43.058 -3.109 18296 7916 1 19 . 1 1 53 53 LEU H H 360 7.502 7.502 7.271 0.231 18296 7917 1 19 . 1 1 54 54 TYR N N 361 124.191 124.191 120.169 4.022 18296 7918 1 19 . 1 1 54 54 TYR HA H 361 4.024 4.024 4.524 -0.500 18296 7919 1 19 . 1 1 54 54 TYR C C 361 178.584 178.584 175.041 3.543 18296 7920 1 19 . 1 1 54 54 TYR CA C 361 59.385 59.385 58.990 0.395 18296 7921 1 19 . 1 1 54 54 TYR CB C 361 39.068 39.068 39.864 -0.795 18296 7922 1 19 . 1 1 54 54 TYR H H 361 9.307 9.307 8.679 0.628 18296 7923 1 19 . 1 1 55 55 MET N N 362 127.473 127.473 126.201 1.272 18296 7924 1 19 . 1 1 55 55 MET HA H 362 4.953 4.953 4.700 0.253 18296 7925 1 19 . 1 1 55 55 MET C C 362 179.342 179.342 174.463 4.879 18296 7926 1 19 . 1 1 55 55 MET CA C 362 54.918 54.918 54.400 0.518 18296 7927 1 19 . 1 1 55 55 MET CB C 362 35.857 35.857 35.859 -0.002 18296 7928 1 19 . 1 1 55 55 MET H H 362 7.575 7.575 7.665 -0.090 18296 7929 1 19 . 1 1 56 56 LYS N N 363 124.429 124.429 124.588 -0.159 18296 7930 1 19 . 1 1 56 56 LYS HA H 363 4.339 4.339 4.697 -0.358 18296 7931 1 19 . 1 1 56 56 LYS C C 363 178.541 178.541 175.079 3.462 18296 7932 1 19 . 1 1 56 56 LYS CA C 363 54.939 54.939 55.485 -0.546 18296 7933 1 19 . 1 1 56 56 LYS CB C 363 35.977 35.977 35.705 0.272 18296 7934 1 19 . 1 1 56 56 LYS H H 363 8.575 8.575 9.163 -0.588 18296 7935 1 19 . 1 1 57 57 MET N N 364 123.350 123.350 120.784 2.566 18296 7936 1 19 . 1 1 57 57 MET HA H 364 4.801 4.801 4.611 0.190 18296 7937 1 19 . 1 1 57 57 MET C C 364 178.016 178.016 175.129 2.887 18296 7938 1 19 . 1 1 57 57 MET CA C 364 54.111 54.111 55.166 -1.055 18296 7939 1 19 . 1 1 57 57 MET H H 364 8.484 8.484 8.542 -0.058 18296 7940 1 19 . 1 1 58 58 GLU N N 365 121.319 121.319 124.273 -2.954 18296 7941 1 19 . 1 1 58 58 GLU H H 365 8.193 8.193 8.337 -0.144 18296 7942 1 19 . 1 1 59 59 PRO HA H 366 4.665 4.665 4.584 0.081 18296 7943 1 19 . 1 1 59 59 PRO C C 366 176.742 176.742 176.179 0.563 18296 7944 1 19 . 1 1 59 59 PRO CA C 366 62.524 62.524 62.445 0.079 18296 7945 1 19 . 1 1 59 59 PRO CB C 366 32.125 32.125 32.221 -0.096 18296 7946 1 19 . 1 1 60 60 VAL N N 367 122.754 122.754 120.460 2.294 18296 7947 1 19 . 1 1 60 60 VAL HA H 367 4.105 4.105 4.368 -0.263 18296 7948 1 19 . 1 1 60 60 VAL C C 367 178.435 178.435 175.317 3.118 18296 7949 1 19 . 1 1 60 60 VAL CA C 367 61.529 61.529 59.823 1.706 18296 7950 1 19 . 1 1 60 60 VAL CB C 367 34.057 34.057 33.810 0.247 18296 7951 1 19 . 1 1 60 60 VAL H H 367 8.509 8.509 8.622 -0.113 18296 7952 1 19 . 1 1 61 61 LYS N N 368 126.381 126.381 123.578 2.803 18296 7953 1 19 . 1 1 61 61 LYS HA H 368 4.180 4.180 5.346 -1.166 18296 7954 1 19 . 1 1 61 61 LYS C C 368 177.499 177.499 175.503 1.996 18296 7955 1 19 . 1 1 61 61 LYS CA C 368 56.047 56.047 55.297 0.750 18296 7956 1 19 . 1 1 61 61 LYS CB C 368 33.313 33.313 33.070 0.243 18296 7957 1 19 . 1 1 61 61 LYS H H 368 8.379 8.379 8.372 0.007 18296 7958 1 19 . 1 1 62 62 GLU N N 369 123.927 123.927 124.492 -0.565 18296 7959 1 19 . 1 1 62 62 GLU HA H 369 4.246 4.246 4.391 -0.145 18296 7960 1 19 . 1 1 62 62 GLU C C 369 177.861 177.861 175.099 2.762 18296 7961 1 19 . 1 1 62 62 GLU CA C 369 55.596 55.596 56.571 -0.975 18296 7962 1 19 . 1 1 62 62 GLU CB C 369 31.289 31.289 32.294 -1.005 18296 7963 1 19 . 1 1 62 62 GLU H H 369 8.355 8.355 8.542 -0.187 18296 7964 1 19 . 1 1 63 63 LEU N N 370 124.406 124.406 118.472 5.934 18296 7965 1 19 . 1 1 63 63 LEU HA H 370 4.356 4.356 4.653 -0.297 18296 7966 1 19 . 1 1 63 63 LEU C C 370 176.026 176.026 175.714 0.312 18296 7967 1 19 . 1 1 63 63 LEU CA C 370 55.223 55.223 55.238 -0.015 18296 7968 1 19 . 1 1 63 63 LEU CB C 370 42.061 42.061 41.412 0.649 18296 7969 1 19 . 1 1 63 63 LEU H H 370 8.419 8.419 8.496 -0.077 18296 7970 1 19 . 1 1 64 64 THR N N 371 114.722 114.722 113.748 0.974 18296 7971 1 19 . 1 1 64 64 THR HA H 371 4.306 4.306 4.458 -0.152 18296 7972 1 19 . 1 1 64 64 THR C C 371 178.158 178.158 174.559 3.599 18296 7973 1 19 . 1 1 64 64 THR CA C 371 61.196 61.196 62.282 -1.086 18296 7974 1 19 . 1 1 64 64 THR CB C 371 70.416 70.416 70.618 -0.202 18296 7975 1 19 . 1 1 64 64 THR H H 371 7.966 7.966 7.408 0.558 18296 7976 1 19 . 1 1 65 65 GLY N N 372 111.711 111.711 113.531 -1.820 18296 7977 1 19 . 1 1 65 65 GLY C C 372 178.512 178.512 173.945 4.567 18296 7978 1 19 . 1 1 65 65 GLY CA C 372 46.227 46.227 46.079 0.148 18296 7979 1 19 . 1 1 65 65 GLY H H 372 8.565 8.565 8.542 0.023 18296 7980 1 19 . 1 1 66 66 GLY N N 373 108.771 108.771 108.853 -0.082 18296 7981 1 19 . 1 1 66 66 GLY C C 373 178.999 178.999 174.931 4.068 18296 7982 1 19 . 1 1 66 66 GLY CA C 373 45.287 45.287 45.741 -0.454 18296 7983 1 19 . 1 1 66 66 GLY H H 373 8.227 8.227 8.116 0.111 18296 7984 1 19 . 1 1 67 67 GLY N N 374 108.901 108.901 110.397 -1.496 18296 7985 1 19 . 1 1 67 67 GLY C C 374 179.721 179.721 173.805 5.916 18296 7986 1 19 . 1 1 67 67 GLY CA C 374 44.987 44.987 44.992 -0.006 18296 7987 1 19 . 1 1 67 67 GLY H H 374 7.876 7.876 8.310 -0.434 18296 7988 1 19 . 1 1 68 68 THR N N 375 114.505 114.505 116.191 -1.686 18296 7989 1 19 . 1 1 68 68 THR HA H 375 4.450 4.450 4.436 0.014 18296 7990 1 19 . 1 1 68 68 THR C C 375 178.997 178.997 173.680 5.317 18296 7991 1 19 . 1 1 68 68 THR CA C 375 61.900 61.900 61.865 0.035 18296 7992 1 19 . 1 1 68 68 THR CB C 375 70.047 70.047 68.678 1.369 18296 7993 1 19 . 1 1 68 68 THR H H 375 8.112 8.112 7.913 0.199 18296 7994 1 19 . 1 1 69 69 THR N N 376 118.054 118.054 120.709 -2.655 18296 7995 1 19 . 1 1 69 69 THR HA H 376 4.302 4.302 3.750 0.552 18296 7996 1 19 . 1 1 69 69 THR C C 376 180.403 180.403 173.730 6.673 18296 7997 1 19 . 1 1 69 69 THR CA C 376 61.114 61.114 65.480 -4.366 18296 7998 1 19 . 1 1 69 69 THR CB C 376 70.422 70.422 67.167 3.255 18296 7999 1 19 . 1 1 69 69 THR H H 376 8.259 8.259 8.319 -0.060 18296 8000 1 19 . 1 1 70 70 PHE N N 377 122.009 122.009 122.222 -0.213 18296 8001 1 19 . 1 1 70 70 PHE HA H 377 4.910 4.910 5.017 -0.107 18296 8002 1 19 . 1 1 70 70 PHE C C 377 177.972 177.972 175.341 2.631 18296 8003 1 19 . 1 1 70 70 PHE CA C 377 57.227 57.227 56.300 0.927 18296 8004 1 19 . 1 1 70 70 PHE CB C 377 40.873 40.873 38.868 2.005 18296 8005 1 19 . 1 1 70 70 PHE H H 377 8.351 8.351 7.420 0.931 18296 8006 1 19 . 1 1 71 71 SER N N 378 117.853 117.853 117.670 0.183 18296 8007 1 19 . 1 1 71 71 SER HA H 378 4.493 4.493 4.852 -0.359 18296 8008 1 19 . 1 1 71 71 SER C C 378 180.063 180.063 172.605 7.458 18296 8009 1 19 . 1 1 71 71 SER CA C 378 57.276 57.276 57.715 -0.439 18296 8010 1 19 . 1 1 71 71 SER CB C 378 64.612 64.612 67.071 -2.459 18296 8011 1 19 . 1 1 71 71 SER H H 378 8.519 8.519 8.581 -0.062 18296 8012 1 19 . 1 1 72 72 VAL N N 379 120.162 120.162 119.975 0.187 18296 8013 1 19 . 1 1 72 72 VAL HA H 379 4.441 4.441 4.336 0.105 18296 8014 1 19 . 1 1 72 72 VAL C C 379 178.192 178.192 175.199 2.993 18296 8015 1 19 . 1 1 72 72 VAL CA C 379 61.369 61.369 61.169 0.200 18296 8016 1 19 . 1 1 72 72 VAL CB C 379 33.944 33.944 34.290 -0.346 18296 8017 1 19 . 1 1 72 72 VAL H H 379 8.277 8.277 8.381 -0.104 18296 8018 1 19 . 1 1 73 73 ARG N N 380 126.538 126.538 125.013 1.525 18296 8019 1 19 . 1 1 73 73 ARG HA H 380 4.430 4.430 4.752 -0.322 18296 8020 1 19 . 1 1 73 73 ARG C C 380 177.524 177.524 174.949 2.575 18296 8021 1 19 . 1 1 73 73 ARG CA C 380 54.744 54.744 54.738 0.006 18296 8022 1 19 . 1 1 73 73 ARG CB C 380 32.635 32.635 31.411 1.224 18296 8023 1 19 . 1 1 73 73 ARG H H 380 8.727 8.727 8.401 0.326 18296 8024 1 19 . 1 1 74 74 LYS N N 381 126.485 126.485 127.323 -0.838 18296 8025 1 19 . 1 1 74 74 LYS HA H 381 4.613 4.613 4.611 0.002 18296 8026 1 19 . 1 1 74 74 LYS C C 381 178.050 178.050 175.976 2.074 18296 8027 1 19 . 1 1 74 74 LYS CA C 381 56.325 56.325 55.842 0.483 18296 8028 1 19 . 1 1 74 74 LYS CB C 381 33.149 33.149 33.142 0.007 18296 8029 1 19 . 1 1 74 74 LYS H H 381 8.636 8.636 8.573 0.063 18296 8030 1 19 . 1 1 75 75 THR N N 382 120.767 120.767 122.423 -1.656 18296 8031 1 19 . 1 1 75 75 THR HA H 382 3.791 3.791 4.402 -0.611 18296 8032 1 19 . 1 1 75 75 THR C C 382 181.578 181.578 172.432 9.146 18296 8033 1 19 . 1 1 75 75 THR CA C 382 61.703 61.703 61.795 -0.092 18296 8034 1 19 . 1 1 75 75 THR CB C 382 70.771 70.771 71.053 -0.282 18296 8035 1 19 . 1 1 75 75 THR H H 382 8.544 8.544 7.938 0.606 18296 8036 1 19 . 1 1 76 76 ALA N N 383 126.390 126.390 127.057 -0.667 18296 8037 1 19 . 1 1 76 76 ALA HA H 383 5.358 5.358 4.837 0.521 18296 8038 1 19 . 1 1 76 76 ALA C C 383 178.931 178.931 175.504 3.427 18296 8039 1 19 . 1 1 76 76 ALA CA C 383 50.669 50.669 51.240 -0.571 18296 8040 1 19 . 1 1 76 76 ALA CB C 383 24.682 24.682 21.949 2.733 18296 8041 1 19 . 1 1 76 76 ALA H H 383 7.981 7.981 8.235 -0.254 18296 8042 1 19 . 1 1 77 77 TYR N N 384 116.182 116.182 121.010 -4.828 18296 8043 1 19 . 1 1 77 77 TYR HA H 384 5.920 5.920 4.820 1.100 18296 8044 1 19 . 1 1 77 77 TYR C C 384 177.384 177.384 176.330 1.054 18296 8045 1 19 . 1 1 77 77 TYR CA C 384 56.234 56.234 56.882 -0.648 18296 8046 1 19 . 1 1 77 77 TYR CB C 384 43.201 43.201 40.196 3.005 18296 8047 1 19 . 1 1 77 77 TYR H H 384 7.899 7.899 7.872 0.027 18296 8048 1 19 . 1 1 78 78 CYS N N 385 121.146 121.146 118.582 2.564 18296 8049 1 19 . 1 1 78 78 CYS HA H 385 4.312 4.312 4.001 0.311 18296 8050 1 19 . 1 1 78 78 CYS C C 385 178.543 178.543 176.303 2.240 18296 8051 1 19 . 1 1 78 78 CYS CA C 385 58.293 58.293 58.418 -0.125 18296 8052 1 19 . 1 1 78 78 CYS CB C 385 29.815 29.815 28.781 1.034 18296 8053 1 19 . 1 1 78 78 CYS H H 385 9.855 9.855 8.574 1.281 18296 8054 1 19 . 1 1 79 79 ASP N N 386 115.334 115.334 121.097 -5.763 18296 8055 1 19 . 1 1 79 79 ASP HA H 386 3.946 3.946 4.467 -0.521 18296 8056 1 19 . 1 1 79 79 ASP C C 386 175.510 175.510 177.068 -1.558 18296 8057 1 19 . 1 1 79 79 ASP CA C 386 57.118 57.118 56.227 0.891 18296 8058 1 19 . 1 1 79 79 ASP CB C 386 40.495 40.495 41.152 -0.657 18296 8059 1 19 . 1 1 79 79 ASP H H 386 7.657 7.657 8.154 -0.497 18296 8060 1 19 . 1 1 80 80 VAL N N 387 119.872 119.872 112.445 7.427 18296 8061 1 19 . 1 1 80 80 VAL HA H 387 3.579 3.579 4.105 -0.526 18296 8062 1 19 . 1 1 80 80 VAL C C 387 176.437 176.437 175.586 0.851 18296 8063 1 19 . 1 1 80 80 VAL CA C 387 64.272 64.272 61.767 2.505 18296 8064 1 19 . 1 1 80 80 VAL CB C 387 31.798 31.798 30.693 1.105 18296 8065 1 19 . 1 1 80 80 VAL H H 387 7.601 7.601 7.349 0.252 18296 8066 1 19 . 1 1 81 81 HIS N N 388 119.244 119.244 118.212 1.032 18296 8067 1 19 . 1 1 81 81 HIS HA H 388 4.632 4.632 4.557 0.075 18296 8068 1 19 . 1 1 81 81 HIS C C 388 180.644 180.644 176.072 4.572 18296 8069 1 19 . 1 1 81 81 HIS CA C 388 56.212 56.212 58.356 -2.144 18296 8070 1 19 . 1 1 81 81 HIS CB C 388 31.774 31.774 31.441 0.333 18296 8071 1 19 . 1 1 81 81 HIS H H 388 7.385 7.385 7.587 -0.202 18296 8072 1 19 . 1 1 82 82 THR N N 389 117.899 117.899 113.647 4.252 18296 8073 1 19 . 1 1 82 82 THR HA H 389 3.733 3.733 4.462 -0.729 18296 8074 1 19 . 1 1 82 82 THR C C 389 181.155 181.155 173.885 7.270 18296 8075 1 19 . 1 1 82 82 THR CA C 389 61.844 61.844 63.696 -1.852 18296 8076 1 19 . 1 1 82 82 THR CB C 389 70.285 70.285 67.633 2.652 18296 8077 1 19 . 1 1 82 82 THR H H 389 7.133 7.133 7.995 -0.862 18296 8078 1 19 . 1 1 83 83 PRO HA H 390 4.192 4.192 4.405 -0.213 18296 8079 1 19 . 1 1 83 83 PRO CA C 390 61.509 61.509 64.091 -2.582 18296 8080 1 19 . 1 1 83 83 PRO CB C 390 30.773 30.773 30.012 0.761 18296 8081 1 19 . 1 1 84 84 PRO HA H 391 4.220 4.220 4.375 -0.155 18296 8082 1 19 . 1 1 84 84 PRO C C 391 175.949 175.949 176.944 -0.995 18296 8083 1 19 . 1 1 84 84 PRO CA C 391 63.032 63.032 62.664 0.368 18296 8084 1 19 . 1 1 84 84 PRO CB C 391 31.983 31.983 31.889 0.094 18296 8085 1 19 . 1 1 85 85 GLY N N 392 109.626 109.626 107.842 1.784 18296 8086 1 19 . 1 1 85 85 GLY C C 392 179.223 179.223 173.833 5.390 18296 8087 1 19 . 1 1 85 85 GLY CA C 392 45.359 45.359 44.513 0.846 18296 8088 1 19 . 1 1 85 85 GLY H H 392 8.367 8.367 8.036 0.331 18296 8089 1 19 . 1 1 86 86 SER N N 393 115.675 115.675 116.758 -1.083 18296 8090 1 19 . 1 1 86 86 SER HA H 393 4.354 4.354 4.727 -0.373 18296 8091 1 19 . 1 1 86 86 SER C C 393 179.569 179.569 174.661 4.908 18296 8092 1 19 . 1 1 86 86 SER CA C 393 58.521 58.521 57.663 0.858 18296 8093 1 19 . 1 1 86 86 SER CB C 393 63.913 63.913 62.942 0.971 18296 8094 1 19 . 1 1 86 86 SER H H 393 8.022 8.022 8.325 -0.303 18296 8095 1 20 . 1 1 10 10 ASN N N 317 120.101 120.101 118.776 1.325 18296 8096 1 20 . 1 1 10 10 ASN HA H 317 4.501 4.501 4.527 -0.026 18296 8097 1 20 . 1 1 10 10 ASN C C 317 179.015 179.015 174.220 4.795 18296 8098 1 20 . 1 1 10 10 ASN CA C 317 53.191 53.191 53.464 -0.273 18296 8099 1 20 . 1 1 10 10 ASN CB C 317 38.650 38.650 37.619 1.031 18296 8100 1 20 . 1 1 10 10 ASN H H 317 8.415 8.415 8.515 -0.100 18296 8101 1 20 . 1 1 11 11 ILE N N 318 122.869 122.869 118.626 4.243 18296 8102 1 20 . 1 1 11 11 ILE HA H 318 4.250 4.250 4.098 0.152 18296 8103 1 20 . 1 1 11 11 ILE C C 318 179.506 179.506 175.771 3.735 18296 8104 1 20 . 1 1 11 11 ILE CA C 318 58.332 58.332 62.474 -4.142 18296 8105 1 20 . 1 1 11 11 ILE CB C 318 38.713 38.713 37.067 1.646 18296 8106 1 20 . 1 1 11 11 ILE H H 318 7.924 7.924 8.056 -0.132 18296 8107 1 20 . 1 1 12 12 PRO HA H 319 4.359 4.359 4.384 -0.025 18296 8108 1 20 . 1 1 12 12 PRO CA C 319 61.487 61.487 64.179 -2.692 18296 8109 1 20 . 1 1 12 12 PRO CB C 319 30.960 30.960 29.840 1.120 18296 8110 1 20 . 1 1 13 13 PRO HA H 320 3.968 3.968 4.511 -0.543 18296 8111 1 20 . 1 1 13 13 PRO C C 320 176.730 176.730 175.548 1.182 18296 8112 1 20 . 1 1 13 13 PRO CA C 320 62.874 62.874 62.416 0.458 18296 8113 1 20 . 1 1 13 13 PRO CB C 320 31.948 31.948 32.690 -0.742 18296 8114 1 20 . 1 1 14 14 ALA N N 321 123.469 123.469 123.068 0.401 18296 8115 1 20 . 1 1 14 14 ALA HA H 321 3.952 3.952 4.323 -0.371 18296 8116 1 20 . 1 1 14 14 ALA C C 321 175.208 175.208 177.623 -2.415 18296 8117 1 20 . 1 1 14 14 ALA CA C 321 52.876 52.876 52.092 0.784 18296 8118 1 20 . 1 1 14 14 ALA CB C 321 18.896 18.896 19.079 -0.183 18296 8119 1 20 . 1 1 14 14 ALA H H 321 8.108 8.108 8.218 -0.110 18296 8120 1 20 . 1 1 15 15 ARG N N 322 118.725 118.725 120.230 -1.505 18296 8121 1 20 . 1 1 15 15 ARG HA H 322 3.943 3.943 4.441 -0.498 18296 8122 1 20 . 1 1 15 15 ARG C C 322 176.870 176.870 176.184 0.686 18296 8123 1 20 . 1 1 15 15 ARG CA C 322 56.737 56.737 56.973 -0.236 18296 8124 1 20 . 1 1 15 15 ARG CB C 322 30.230 30.230 30.305 -0.075 18296 8125 1 20 . 1 1 15 15 ARG H H 322 8.077 8.077 8.419 -0.343 18296 8126 1 20 . 1 1 16 16 TRP N N 323 120.113 120.113 119.248 0.865 18296 8127 1 20 . 1 1 16 16 TRP HA H 323 4.471 4.471 4.417 0.055 18296 8128 1 20 . 1 1 16 16 TRP C C 323 177.322 177.322 175.317 2.005 18296 8129 1 20 . 1 1 16 16 TRP CA C 323 57.143 57.143 57.345 -0.202 18296 8130 1 20 . 1 1 16 16 TRP CB C 323 29.192 29.192 27.325 1.867 18296 8131 1 20 . 1 1 16 16 TRP H H 323 7.634 7.634 8.384 -0.750 18296 8132 1 20 . 1 1 17 17 LYS N N 324 121.400 121.400 120.840 0.560 18296 8133 1 20 . 1 1 17 17 LYS HA H 324 3.951 3.951 4.513 -0.562 18296 8134 1 20 . 1 1 17 17 LYS C C 324 179.457 179.457 175.106 4.351 18296 8135 1 20 . 1 1 17 17 LYS CA C 324 56.502 56.502 55.972 0.530 18296 8136 1 20 . 1 1 17 17 LYS CB C 324 32.867 32.867 32.685 0.182 18296 8137 1 20 . 1 1 17 17 LYS H H 324 7.735 7.735 7.984 -0.249 18296 8138 1 20 . 1 1 18 18 LEU N N 325 121.064 121.064 123.939 -2.875 18296 8139 1 20 . 1 1 18 18 LEU HA H 325 4.141 4.141 4.581 -0.440 18296 8140 1 20 . 1 1 18 18 LEU C C 325 176.781 176.781 175.220 1.561 18296 8141 1 20 . 1 1 18 18 LEU CA C 325 54.574 54.574 55.119 -0.545 18296 8142 1 20 . 1 1 18 18 LEU CB C 325 42.252 42.252 43.510 -1.258 18296 8143 1 20 . 1 1 18 18 LEU H H 325 7.708 7.708 8.430 -0.722 18296 8144 1 20 . 1 1 19 19 THR N N 326 117.252 117.252 117.102 0.150 18296 8145 1 20 . 1 1 19 19 THR HA H 326 3.935 3.935 4.578 -0.643 18296 8146 1 20 . 1 1 19 19 THR C C 326 180.854 180.854 174.234 6.620 18296 8147 1 20 . 1 1 19 19 THR CA C 326 61.977 61.977 61.452 0.525 18296 8148 1 20 . 1 1 19 19 THR CB C 326 70.166 70.166 70.728 -0.562 18296 8149 1 20 . 1 1 19 19 THR H H 326 7.915 7.915 8.054 -0.139 18296 8150 1 20 . 1 1 20 20 CYS N N 327 127.254 127.254 124.538 2.716 18296 8151 1 20 . 1 1 20 20 CYS HA H 327 4.324 4.324 4.803 -0.479 18296 8152 1 20 . 1 1 20 20 CYS C C 327 175.898 175.898 176.980 -1.082 18296 8153 1 20 . 1 1 20 20 CYS CA C 327 57.928 57.928 58.086 -0.157 18296 8154 1 20 . 1 1 20 20 CYS CB C 327 31.298 31.298 27.310 3.988 18296 8155 1 20 . 1 1 20 20 CYS H H 327 8.055 8.055 8.629 -0.574 18296 8156 1 20 . 1 1 21 21 TYR N N 328 129.752 129.752 126.871 2.881 18296 8157 1 20 . 1 1 21 21 TYR HA H 328 4.488 4.488 4.358 0.130 18296 8158 1 20 . 1 1 21 21 TYR C C 328 178.625 178.625 176.374 2.251 18296 8159 1 20 . 1 1 21 21 TYR CA C 328 58.951 58.951 59.882 -0.931 18296 8160 1 20 . 1 1 21 21 TYR CB C 328 37.712 37.712 37.834 -0.122 18296 8161 1 20 . 1 1 21 21 TYR H H 328 9.082 9.082 8.594 0.488 18296 8162 1 20 . 1 1 22 22 LEU N N 329 124.057 124.057 118.999 5.058 18296 8163 1 20 . 1 1 22 22 LEU HA H 329 3.749 3.749 4.403 -0.654 18296 8164 1 20 . 1 1 22 22 LEU C C 329 176.268 176.268 176.891 -0.623 18296 8165 1 20 . 1 1 22 22 LEU CA C 329 56.514 56.514 54.660 1.854 18296 8166 1 20 . 1 1 22 22 LEU CB C 329 42.975 42.975 42.193 0.782 18296 8167 1 20 . 1 1 22 22 LEU H H 329 8.140 8.140 7.454 0.686 18296 8168 1 20 . 1 1 23 23 CYS N N 330 117.734 117.734 116.654 1.080 18296 8169 1 20 . 1 1 23 23 CYS HA H 330 4.741 4.741 4.739 0.002 18296 8170 1 20 . 1 1 23 23 CYS C C 330 177.769 177.769 172.986 4.783 18296 8171 1 20 . 1 1 23 23 CYS CA C 330 58.459 58.459 57.719 0.740 18296 8172 1 20 . 1 1 23 23 CYS CB C 330 30.918 30.918 31.469 -0.551 18296 8173 1 20 . 1 1 23 23 CYS H H 330 7.971 7.971 7.495 0.476 18296 8174 1 20 . 1 1 24 24 LYS N N 331 118.437 118.437 119.675 -1.238 18296 8175 1 20 . 1 1 24 24 LYS HA H 331 3.980 3.980 4.443 -0.463 18296 8176 1 20 . 1 1 24 24 LYS C C 331 178.178 178.178 175.416 2.762 18296 8177 1 20 . 1 1 24 24 LYS CA C 331 57.520 57.520 56.494 1.026 18296 8178 1 20 . 1 1 24 24 LYS CB C 331 29.278 29.278 32.888 -3.610 18296 8179 1 20 . 1 1 24 24 LYS H H 331 7.842 7.842 8.397 -0.555 18296 8180 1 20 . 1 1 25 25 GLN N N 332 118.445 118.445 118.587 -0.142 18296 8181 1 20 . 1 1 25 25 GLN HA H 332 4.574 4.574 4.518 0.056 18296 8182 1 20 . 1 1 25 25 GLN C C 332 177.619 177.619 174.785 2.834 18296 8183 1 20 . 1 1 25 25 GLN CA C 332 54.362 54.362 54.895 -0.533 18296 8184 1 20 . 1 1 25 25 GLN CB C 332 31.843 31.843 29.303 2.540 18296 8185 1 20 . 1 1 25 25 GLN H H 332 8.306 8.306 8.042 0.264 18296 8186 1 20 . 1 1 26 26 LYS N N 333 122.851 122.851 125.158 -2.307 18296 8187 1 20 . 1 1 26 26 LYS HA H 333 4.222 4.222 4.050 0.172 18296 8188 1 20 . 1 1 26 26 LYS C C 333 175.456 175.456 176.619 -1.163 18296 8189 1 20 . 1 1 26 26 LYS CA C 333 57.729 57.729 57.113 0.616 18296 8190 1 20 . 1 1 26 26 LYS CB C 333 32.925 32.925 31.749 1.176 18296 8191 1 20 . 1 1 26 26 LYS H H 333 8.545 8.545 8.702 -0.157 18296 8192 1 20 . 1 1 27 27 GLY N N 334 107.216 107.216 113.916 -6.700 18296 8193 1 20 . 1 1 27 27 GLY C C 334 180.017 180.017 173.160 6.857 18296 8194 1 20 . 1 1 27 27 GLY CA C 334 45.559 45.559 44.443 1.116 18296 8195 1 20 . 1 1 27 27 GLY H H 334 8.348 8.348 8.502 -0.154 18296 8196 1 20 . 1 1 28 28 VAL N N 335 117.437 117.437 121.774 -4.337 18296 8197 1 20 . 1 1 28 28 VAL HA H 335 4.133 4.133 4.288 -0.155 18296 8198 1 20 . 1 1 28 28 VAL C C 335 177.439 177.439 175.200 2.239 18296 8199 1 20 . 1 1 28 28 VAL CA C 335 61.502 61.502 62.942 -1.440 18296 8200 1 20 . 1 1 28 28 VAL CB C 335 33.563 33.563 32.421 1.142 18296 8201 1 20 . 1 1 28 28 VAL H H 335 7.867 7.867 8.390 -0.523 18296 8202 1 20 . 1 1 29 29 GLY N N 336 110.723 110.723 109.975 0.748 18296 8203 1 20 . 1 1 29 29 GLY C C 336 180.088 180.088 173.233 6.855 18296 8204 1 20 . 1 1 29 29 GLY CA C 336 44.344 44.344 46.019 -1.675 18296 8205 1 20 . 1 1 29 29 GLY H H 336 8.186 8.186 8.573 -0.387 18296 8206 1 20 . 1 1 30 30 ALA N N 337 122.643 122.643 124.358 -1.715 18296 8207 1 20 . 1 1 30 30 ALA HA H 337 4.193 4.193 4.880 -0.687 18296 8208 1 20 . 1 1 30 30 ALA C C 337 175.274 175.274 175.702 -0.428 18296 8209 1 20 . 1 1 30 30 ALA CA C 337 52.904 52.904 51.635 1.269 18296 8210 1 20 . 1 1 30 30 ALA CB C 337 19.677 19.677 20.604 -0.927 18296 8211 1 20 . 1 1 30 30 ALA H H 337 8.269 8.269 8.103 0.166 18296 8212 1 20 . 1 1 31 31 SER N N 338 117.644 117.644 115.832 1.812 18296 8213 1 20 . 1 1 31 31 SER HA H 338 4.775 4.775 4.659 0.116 18296 8214 1 20 . 1 1 31 31 SER C C 338 180.923 180.923 173.182 7.741 18296 8215 1 20 . 1 1 31 31 SER CA C 338 57.406 57.406 57.536 -0.130 18296 8216 1 20 . 1 1 31 31 SER CB C 338 65.388 65.388 64.487 0.901 18296 8217 1 20 . 1 1 31 31 SER H H 338 8.415 8.415 8.372 0.043 18296 8218 1 20 . 1 1 32 32 ILE N N 339 121.240 121.240 124.244 -3.004 18296 8219 1 20 . 1 1 32 32 ILE HA H 339 4.123 4.123 4.203 -0.080 18296 8220 1 20 . 1 1 32 32 ILE C C 339 181.302 181.302 173.748 7.554 18296 8221 1 20 . 1 1 32 32 ILE CA C 339 59.768 59.768 59.361 0.407 18296 8222 1 20 . 1 1 32 32 ILE CB C 339 41.252 41.252 40.571 0.681 18296 8223 1 20 . 1 1 32 32 ILE H H 339 8.522 8.522 8.767 -0.245 18296 8224 1 20 . 1 1 33 33 GLN N N 340 120.384 120.384 125.339 -4.955 18296 8225 1 20 . 1 1 33 33 GLN HA H 340 4.335 4.335 4.842 -0.507 18296 8226 1 20 . 1 1 33 33 GLN C C 340 179.377 179.377 174.836 4.541 18296 8227 1 20 . 1 1 33 33 GLN CA C 340 53.739 53.739 54.274 -0.535 18296 8228 1 20 . 1 1 33 33 GLN CB C 340 32.179 32.179 31.912 0.267 18296 8229 1 20 . 1 1 33 33 GLN H H 340 7.720 7.720 8.097 -0.377 18296 8230 1 20 . 1 1 34 34 CYS N N 341 125.463 125.463 126.021 -0.558 18296 8231 1 20 . 1 1 34 34 CYS HA H 341 4.036 4.036 4.515 -0.479 18296 8232 1 20 . 1 1 34 34 CYS C C 341 178.269 178.269 176.189 2.080 18296 8233 1 20 . 1 1 34 34 CYS CA C 341 60.992 60.992 59.486 1.506 18296 8234 1 20 . 1 1 34 34 CYS CB C 341 32.346 32.346 27.776 4.570 18296 8235 1 20 . 1 1 34 34 CYS H H 341 8.292 8.292 8.741 -0.449 18296 8236 1 20 . 1 1 35 35 HIS N N 342 126.611 126.611 129.330 -2.719 18296 8237 1 20 . 1 1 35 35 HIS HA H 342 4.128 4.128 4.340 -0.212 18296 8238 1 20 . 1 1 35 35 HIS CA C 342 57.556 57.556 58.285 -0.729 18296 8239 1 20 . 1 1 35 35 HIS CB C 342 29.945 29.945 30.902 -0.957 18296 8240 1 20 . 1 1 35 35 HIS H H 342 8.722 8.722 8.479 0.243 18296 8241 1 20 . 1 1 36 36 LYS N N 343 124.049 124.049 118.011 6.038 18296 8242 1 20 . 1 1 36 36 LYS HA H 343 3.940 3.940 3.995 -0.055 18296 8243 1 20 . 1 1 36 36 LYS C C 343 176.701 176.701 176.681 0.020 18296 8244 1 20 . 1 1 36 36 LYS CA C 343 56.155 56.155 56.162 -0.007 18296 8245 1 20 . 1 1 36 36 LYS CB C 343 33.033 33.033 32.392 0.641 18296 8246 1 20 . 1 1 36 36 LYS H H 343 8.567 8.567 8.364 0.203 18296 8247 1 20 . 1 1 37 37 ALA N N 344 130.751 130.751 127.653 3.098 18296 8248 1 20 . 1 1 37 37 ALA HA H 344 3.733 3.733 3.741 -0.008 18296 8249 1 20 . 1 1 37 37 ALA C C 344 175.302 175.302 178.396 -3.094 18296 8250 1 20 . 1 1 37 37 ALA CA C 344 53.917 53.917 54.334 -0.416 18296 8251 1 20 . 1 1 37 37 ALA CB C 344 18.206 18.206 18.454 -0.248 18296 8252 1 20 . 1 1 37 37 ALA H H 344 8.363 8.363 8.660 -0.297 18296 8253 1 20 . 1 1 38 38 ASN N N 345 114.094 114.094 116.282 -2.188 18296 8254 1 20 . 1 1 38 38 ASN HA H 345 3.885 3.885 4.619 -0.734 18296 8255 1 20 . 1 1 38 38 ASN C C 345 181.195 181.195 176.450 4.745 18296 8256 1 20 . 1 1 38 38 ASN CA C 345 53.606 53.606 55.182 -1.576 18296 8257 1 20 . 1 1 38 38 ASN CB C 345 37.443 37.443 38.696 -1.253 18296 8258 1 20 . 1 1 38 38 ASN H H 345 8.292 8.292 8.596 -0.304 18296 8259 1 20 . 1 1 39 39 CYS N N 346 121.417 121.417 118.243 3.174 18296 8260 1 20 . 1 1 39 39 CYS C C 346 178.723 178.723 175.838 2.885 18296 8261 1 20 . 1 1 39 39 CYS H H 346 7.283 7.283 7.822 -0.539 18296 8262 1 20 . 1 1 40 40 TYR HA H 347 4.212 4.212 4.329 -0.117 18296 8263 1 20 . 1 1 40 40 TYR C C 347 178.156 178.156 174.159 3.997 18296 8264 1 20 . 1 1 40 40 TYR CA C 347 56.478 56.478 59.021 -2.543 18296 8265 1 20 . 1 1 40 40 TYR CB C 347 37.446 37.446 36.095 1.351 18296 8266 1 20 . 1 1 40 40 TYR H H 347 7.923 7.923 8.211 -0.288 18296 8267 1 20 . 1 1 41 41 THR N N 348 122.674 122.674 117.145 5.529 18296 8268 1 20 . 1 1 41 41 THR HA H 348 3.806 3.806 4.752 -0.946 18296 8269 1 20 . 1 1 41 41 THR C C 348 182.343 182.343 173.356 8.987 18296 8270 1 20 . 1 1 41 41 THR CA C 348 64.932 64.932 61.322 3.610 18296 8271 1 20 . 1 1 41 41 THR CB C 348 68.772 68.772 70.798 -2.026 18296 8272 1 20 . 1 1 41 41 THR H H 348 8.421 8.421 7.751 0.670 18296 8273 1 20 . 1 1 42 42 ALA N N 349 130.177 130.177 127.346 2.831 18296 8274 1 20 . 1 1 42 42 ALA HA H 349 4.967 4.967 5.294 -0.327 18296 8275 1 20 . 1 1 42 42 ALA C C 349 176.955 176.955 175.859 1.096 18296 8276 1 20 . 1 1 42 42 ALA CA C 349 49.997 49.997 50.767 -0.770 18296 8277 1 20 . 1 1 42 42 ALA CB C 349 23.467 23.467 21.831 1.636 18296 8278 1 20 . 1 1 42 42 ALA H H 349 8.856 8.856 8.785 0.071 18296 8279 1 20 . 1 1 43 43 PHE N N 350 113.053 113.053 118.725 -5.672 18296 8280 1 20 . 1 1 43 43 PHE HA H 350 5.525 5.525 4.717 0.808 18296 8281 1 20 . 1 1 43 43 PHE C C 350 177.894 177.894 173.504 4.390 18296 8282 1 20 . 1 1 43 43 PHE CA C 350 53.625 53.625 56.369 -2.744 18296 8283 1 20 . 1 1 43 43 PHE CB C 350 39.459 39.459 40.941 -1.482 18296 8284 1 20 . 1 1 43 43 PHE H H 350 7.912 7.912 8.959 -1.047 18296 8285 1 20 . 1 1 44 44 HIS N N 351 118.497 118.497 119.037 -0.540 18296 8286 1 20 . 1 1 44 44 HIS HA H 351 4.892 4.892 4.805 0.087 18296 8287 1 20 . 1 1 44 44 HIS C C 351 176.371 176.371 177.045 -0.674 18296 8288 1 20 . 1 1 44 44 HIS CA C 351 58.019 58.019 56.818 1.201 18296 8289 1 20 . 1 1 44 44 HIS CB C 351 31.716 31.716 30.161 1.555 18296 8290 1 20 . 1 1 44 44 HIS H H 351 9.335 9.335 8.328 1.007 18296 8291 1 20 . 1 1 45 45 VAL N N 352 124.407 124.407 121.368 3.039 18296 8292 1 20 . 1 1 45 45 VAL HA H 352 3.476 3.476 3.784 -0.308 18296 8293 1 20 . 1 1 45 45 VAL C C 352 175.305 175.305 177.848 -2.543 18296 8294 1 20 . 1 1 45 45 VAL CA C 352 67.359 67.359 66.885 0.474 18296 8295 1 20 . 1 1 45 45 VAL CB C 352 31.627 31.627 31.849 -0.222 18296 8296 1 20 . 1 1 45 45 VAL H H 352 8.654 8.654 8.278 0.376 18296 8297 1 20 . 1 1 46 46 THR N N 353 111.166 111.166 115.247 -4.081 18296 8298 1 20 . 1 1 46 46 THR HA H 353 3.997 3.997 4.091 -0.094 18296 8299 1 20 . 1 1 46 46 THR C C 353 175.010 175.010 176.252 -1.242 18296 8300 1 20 . 1 1 46 46 THR CA C 353 65.008 65.008 65.694 -0.686 18296 8301 1 20 . 1 1 46 46 THR CB C 353 67.830 67.830 68.621 -0.791 18296 8302 1 20 . 1 1 46 46 THR H H 353 8.370 8.370 8.247 0.123 18296 8303 1 20 . 1 1 47 47 CYS N N 354 120.975 120.975 119.253 1.722 18296 8304 1 20 . 1 1 47 47 CYS HA H 354 3.762 3.762 4.367 -0.605 18296 8305 1 20 . 1 1 47 47 CYS C C 354 175.912 175.912 176.993 -1.081 18296 8306 1 20 . 1 1 47 47 CYS CA C 354 63.372 63.372 62.262 1.110 18296 8307 1 20 . 1 1 47 47 CYS CB C 354 29.076 29.076 25.772 3.304 18296 8308 1 20 . 1 1 47 47 CYS H H 354 6.668 6.668 8.459 -1.791 18296 8309 1 20 . 1 1 48 48 ALA N N 355 123.247 123.247 123.454 -0.207 18296 8310 1 20 . 1 1 48 48 ALA HA H 355 3.511 3.511 4.152 -0.641 18296 8311 1 20 . 1 1 48 48 ALA C C 355 174.031 174.031 179.447 -5.416 18296 8312 1 20 . 1 1 48 48 ALA CA C 355 55.045 55.045 55.091 -0.046 18296 8313 1 20 . 1 1 48 48 ALA CB C 355 19.962 19.962 18.758 1.204 18296 8314 1 20 . 1 1 48 48 ALA H H 355 8.481 8.481 8.001 0.480 18296 8315 1 20 . 1 1 49 49 GLN N N 356 118.150 118.150 117.812 0.338 18296 8316 1 20 . 1 1 49 49 GLN HA H 356 4.003 4.003 4.037 -0.034 18296 8317 1 20 . 1 1 49 49 GLN C C 356 173.755 173.755 178.466 -4.711 18296 8318 1 20 . 1 1 49 49 GLN CA C 356 58.728 58.728 58.751 -0.023 18296 8319 1 20 . 1 1 49 49 GLN CB C 356 28.196 28.196 28.897 -0.701 18296 8320 1 20 . 1 1 49 49 GLN H H 356 8.055 8.055 8.079 -0.024 18296 8321 1 20 . 1 1 50 50 LYS N N 357 120.248 120.248 117.986 2.262 18296 8322 1 20 . 1 1 50 50 LYS HA H 357 3.866 3.866 4.248 -0.382 18296 8323 1 20 . 1 1 50 50 LYS C C 357 175.624 175.624 178.119 -2.495 18296 8324 1 20 . 1 1 50 50 LYS CA C 357 58.989 58.989 57.288 1.700 18296 8325 1 20 . 1 1 50 50 LYS CB C 357 32.377 32.377 32.488 -0.111 18296 8326 1 20 . 1 1 50 50 LYS H H 357 7.628 7.628 7.814 -0.186 18296 8327 1 20 . 1 1 51 51 ALA N N 358 118.343 118.343 120.689 -2.346 18296 8328 1 20 . 1 1 51 51 ALA HA H 358 4.138 4.138 4.250 -0.112 18296 8329 1 20 . 1 1 51 51 ALA C C 358 176.132 176.132 178.179 -2.047 18296 8330 1 20 . 1 1 51 51 ALA CA C 358 52.263 52.263 53.270 -1.007 18296 8331 1 20 . 1 1 51 51 ALA CB C 358 19.690 19.690 19.561 0.129 18296 8332 1 20 . 1 1 51 51 ALA H H 358 7.558 7.558 7.564 -0.006 18296 8333 1 20 . 1 1 52 52 GLY N N 359 107.058 107.058 107.095 -0.037 18296 8334 1 20 . 1 1 52 52 GLY C C 359 178.221 178.221 173.986 4.235 18296 8335 1 20 . 1 1 52 52 GLY CA C 359 46.323 46.323 45.066 1.257 18296 8336 1 20 . 1 1 52 52 GLY H H 359 7.481 7.481 8.019 -0.538 18296 8337 1 20 . 1 1 53 53 LEU N N 360 118.335 118.335 117.445 0.890 18296 8338 1 20 . 1 1 53 53 LEU HA H 360 4.002 4.002 4.834 -0.832 18296 8339 1 20 . 1 1 53 53 LEU C C 360 176.917 176.917 176.783 0.134 18296 8340 1 20 . 1 1 53 53 LEU CA C 360 54.926 54.926 52.352 2.574 18296 8341 1 20 . 1 1 53 53 LEU CB C 360 39.949 39.949 43.226 -3.277 18296 8342 1 20 . 1 1 53 53 LEU H H 360 7.502 7.502 7.360 0.142 18296 8343 1 20 . 1 1 54 54 TYR N N 361 124.191 124.191 121.933 2.258 18296 8344 1 20 . 1 1 54 54 TYR HA H 361 4.024 4.024 4.532 -0.508 18296 8345 1 20 . 1 1 54 54 TYR C C 361 178.584 178.584 174.551 4.033 18296 8346 1 20 . 1 1 54 54 TYR CA C 361 59.385 59.385 58.449 0.936 18296 8347 1 20 . 1 1 54 54 TYR CB C 361 39.068 39.068 39.120 -0.052 18296 8348 1 20 . 1 1 54 54 TYR H H 361 9.307 9.307 8.698 0.609 18296 8349 1 20 . 1 1 55 55 MET N N 362 127.473 127.473 128.274 -0.801 18296 8350 1 20 . 1 1 55 55 MET HA H 362 4.953 4.953 4.471 0.482 18296 8351 1 20 . 1 1 55 55 MET C C 362 179.342 179.342 174.512 4.830 18296 8352 1 20 . 1 1 55 55 MET CA C 362 54.918 54.918 54.202 0.716 18296 8353 1 20 . 1 1 55 55 MET CB C 362 35.857 35.857 34.885 0.972 18296 8354 1 20 . 1 1 55 55 MET H H 362 7.575 7.575 8.229 -0.654 18296 8355 1 20 . 1 1 56 56 LYS N N 363 124.429 124.429 125.560 -1.131 18296 8356 1 20 . 1 1 56 56 LYS HA H 363 4.339 4.339 4.357 -0.018 18296 8357 1 20 . 1 1 56 56 LYS C C 363 178.541 178.541 175.123 3.418 18296 8358 1 20 . 1 1 56 56 LYS CA C 363 54.939 54.939 55.622 -0.683 18296 8359 1 20 . 1 1 56 56 LYS CB C 363 35.977 35.977 34.280 1.697 18296 8360 1 20 . 1 1 56 56 LYS H H 363 8.575 8.575 8.833 -0.258 18296 8361 1 20 . 1 1 57 57 MET N N 364 123.350 123.350 122.591 0.759 18296 8362 1 20 . 1 1 57 57 MET HA H 364 4.801 4.801 4.544 0.257 18296 8363 1 20 . 1 1 57 57 MET C C 364 178.016 178.016 174.985 3.031 18296 8364 1 20 . 1 1 57 57 MET CA C 364 54.111 54.111 55.712 -1.601 18296 8365 1 20 . 1 1 57 57 MET H H 364 8.484 8.484 8.447 0.037 18296 8366 1 20 . 1 1 58 58 GLU N N 365 121.319 121.319 121.353 -0.034 18296 8367 1 20 . 1 1 58 58 GLU H H 365 8.193 8.193 8.453 -0.260 18296 8368 1 20 . 1 1 59 59 PRO HA H 366 4.665 4.665 4.347 0.318 18296 8369 1 20 . 1 1 59 59 PRO C C 366 176.742 176.742 175.849 0.893 18296 8370 1 20 . 1 1 59 59 PRO CA C 366 62.524 62.524 62.425 0.099 18296 8371 1 20 . 1 1 59 59 PRO CB C 366 32.125 32.125 31.997 0.128 18296 8372 1 20 . 1 1 60 60 VAL N N 367 122.754 122.754 117.082 5.672 18296 8373 1 20 . 1 1 60 60 VAL HA H 367 4.105 4.105 4.270 -0.165 18296 8374 1 20 . 1 1 60 60 VAL C C 367 178.435 178.435 174.570 3.865 18296 8375 1 20 . 1 1 60 60 VAL CA C 367 61.529 61.529 60.868 0.661 18296 8376 1 20 . 1 1 60 60 VAL CB C 367 34.057 34.057 33.093 0.964 18296 8377 1 20 . 1 1 60 60 VAL H H 367 8.509 8.509 7.565 0.944 18296 8378 1 20 . 1 1 61 61 LYS N N 368 126.381 126.381 127.930 -1.549 18296 8379 1 20 . 1 1 61 61 LYS HA H 368 4.180 4.180 4.817 -0.637 18296 8380 1 20 . 1 1 61 61 LYS C C 368 177.499 177.499 175.659 1.840 18296 8381 1 20 . 1 1 61 61 LYS CA C 368 56.047 56.047 55.562 0.485 18296 8382 1 20 . 1 1 61 61 LYS CB C 368 33.313 33.313 32.343 0.970 18296 8383 1 20 . 1 1 61 61 LYS H H 368 8.379 8.379 8.354 0.025 18296 8384 1 20 . 1 1 62 62 GLU N N 369 123.927 123.927 124.372 -0.445 18296 8385 1 20 . 1 1 62 62 GLU HA H 369 4.246 4.246 4.471 -0.225 18296 8386 1 20 . 1 1 62 62 GLU C C 369 177.861 177.861 176.153 1.708 18296 8387 1 20 . 1 1 62 62 GLU CA C 369 55.596 55.596 55.951 -0.355 18296 8388 1 20 . 1 1 62 62 GLU CB C 369 31.289 31.289 31.034 0.255 18296 8389 1 20 . 1 1 62 62 GLU H H 369 8.355 8.355 8.358 -0.003 18296 8390 1 20 . 1 1 63 63 LEU N N 370 124.406 124.406 117.519 6.887 18296 8391 1 20 . 1 1 63 63 LEU HA H 370 4.356 4.356 4.305 0.051 18296 8392 1 20 . 1 1 63 63 LEU C C 370 176.026 176.026 176.309 -0.283 18296 8393 1 20 . 1 1 63 63 LEU CA C 370 55.223 55.223 57.045 -1.822 18296 8394 1 20 . 1 1 63 63 LEU CB C 370 42.061 42.061 41.894 0.167 18296 8395 1 20 . 1 1 63 63 LEU H H 370 8.419 8.419 8.706 -0.287 18296 8396 1 20 . 1 1 64 64 THR N N 371 114.722 114.722 111.676 3.046 18296 8397 1 20 . 1 1 64 64 THR HA H 371 4.306 4.306 4.452 -0.146 18296 8398 1 20 . 1 1 64 64 THR C C 371 178.158 178.158 174.800 3.358 18296 8399 1 20 . 1 1 64 64 THR CA C 371 61.196 61.196 60.547 0.649 18296 8400 1 20 . 1 1 64 64 THR CB C 371 70.416 70.416 70.837 -0.421 18296 8401 1 20 . 1 1 64 64 THR H H 371 7.966 7.966 7.303 0.663 18296 8402 1 20 . 1 1 65 65 GLY N N 372 111.711 111.711 115.337 -3.626 18296 8403 1 20 . 1 1 65 65 GLY C C 372 178.512 178.512 173.890 4.622 18296 8404 1 20 . 1 1 65 65 GLY CA C 372 46.227 46.227 44.858 1.369 18296 8405 1 20 . 1 1 65 65 GLY H H 372 8.565 8.565 8.241 0.324 18296 8406 1 20 . 1 1 66 66 GLY N N 373 108.771 108.771 111.805 -3.034 18296 8407 1 20 . 1 1 66 66 GLY C C 373 178.999 178.999 175.169 3.830 18296 8408 1 20 . 1 1 66 66 GLY CA C 373 45.287 45.287 45.378 -0.091 18296 8409 1 20 . 1 1 66 66 GLY H H 373 8.227 8.227 8.626 -0.399 18296 8410 1 20 . 1 1 67 67 GLY N N 374 108.901 108.901 108.517 0.384 18296 8411 1 20 . 1 1 67 67 GLY C C 374 179.721 179.721 173.747 5.974 18296 8412 1 20 . 1 1 67 67 GLY CA C 374 44.987 44.987 44.282 0.705 18296 8413 1 20 . 1 1 67 67 GLY H H 374 7.876 7.876 7.922 -0.046 18296 8414 1 20 . 1 1 68 68 THR N N 375 114.505 114.505 117.494 -2.989 18296 8415 1 20 . 1 1 68 68 THR HA H 375 4.450 4.450 4.780 -0.330 18296 8416 1 20 . 1 1 68 68 THR C C 375 178.997 178.997 174.359 4.638 18296 8417 1 20 . 1 1 68 68 THR CA C 375 61.900 61.900 61.783 0.117 18296 8418 1 20 . 1 1 68 68 THR CB C 375 70.047 70.047 69.852 0.195 18296 8419 1 20 . 1 1 68 68 THR H H 375 8.112 8.112 7.881 0.231 18296 8420 1 20 . 1 1 69 69 THR N N 376 118.054 118.054 118.418 -0.364 18296 8421 1 20 . 1 1 69 69 THR HA H 376 4.302 4.302 3.837 0.465 18296 8422 1 20 . 1 1 69 69 THR C C 376 180.403 180.403 174.143 6.260 18296 8423 1 20 . 1 1 69 69 THR CA C 376 61.114 61.114 65.171 -4.057 18296 8424 1 20 . 1 1 69 69 THR CB C 376 70.422 70.422 67.971 2.451 18296 8425 1 20 . 1 1 69 69 THR H H 376 8.259 8.259 8.735 -0.476 18296 8426 1 20 . 1 1 70 70 PHE N N 377 122.009 122.009 124.039 -2.030 18296 8427 1 20 . 1 1 70 70 PHE HA H 377 4.910 4.910 4.671 0.239 18296 8428 1 20 . 1 1 70 70 PHE C C 377 177.972 177.972 175.132 2.840 18296 8429 1 20 . 1 1 70 70 PHE CA C 377 57.227 57.227 57.995 -0.767 18296 8430 1 20 . 1 1 70 70 PHE CB C 377 40.873 40.873 40.861 0.012 18296 8431 1 20 . 1 1 70 70 PHE H H 377 8.351 8.351 8.023 0.328 18296 8432 1 20 . 1 1 71 71 SER N N 378 117.853 117.853 121.672 -3.819 18296 8433 1 20 . 1 1 71 71 SER HA H 378 4.493 4.493 4.793 -0.300 18296 8434 1 20 . 1 1 71 71 SER C C 378 180.063 180.063 172.734 7.329 18296 8435 1 20 . 1 1 71 71 SER CA C 378 57.276 57.276 57.710 -0.434 18296 8436 1 20 . 1 1 71 71 SER CB C 378 64.612 64.612 64.448 0.164 18296 8437 1 20 . 1 1 71 71 SER H H 378 8.519 8.519 8.298 0.221 18296 8438 1 20 . 1 1 72 72 VAL N N 379 120.162 120.162 121.615 -1.453 18296 8439 1 20 . 1 1 72 72 VAL HA H 379 4.441 4.441 3.895 0.546 18296 8440 1 20 . 1 1 72 72 VAL C C 379 178.192 178.192 175.675 2.517 18296 8441 1 20 . 1 1 72 72 VAL CA C 379 61.369 61.369 62.305 -0.936 18296 8442 1 20 . 1 1 72 72 VAL CB C 379 33.944 33.944 32.049 1.895 18296 8443 1 20 . 1 1 72 72 VAL H H 379 8.277 8.277 7.733 0.544 18296 8444 1 20 . 1 1 73 73 ARG N N 380 126.538 126.538 124.610 1.928 18296 8445 1 20 . 1 1 73 73 ARG HA H 380 4.430 4.430 4.534 -0.104 18296 8446 1 20 . 1 1 73 73 ARG C C 380 177.524 177.524 174.357 3.167 18296 8447 1 20 . 1 1 73 73 ARG CA C 380 54.744 54.744 54.658 0.086 18296 8448 1 20 . 1 1 73 73 ARG CB C 380 32.635 32.635 30.942 1.693 18296 8449 1 20 . 1 1 73 73 ARG H H 380 8.727 8.727 8.264 0.463 18296 8450 1 20 . 1 1 74 74 LYS N N 381 126.485 126.485 125.706 0.779 18296 8451 1 20 . 1 1 74 74 LYS HA H 381 4.613 4.613 4.457 0.156 18296 8452 1 20 . 1 1 74 74 LYS C C 381 178.050 178.050 175.700 2.350 18296 8453 1 20 . 1 1 74 74 LYS CA C 381 56.325 56.325 55.469 0.856 18296 8454 1 20 . 1 1 74 74 LYS CB C 381 33.149 33.149 34.577 -1.428 18296 8455 1 20 . 1 1 74 74 LYS H H 381 8.636 8.636 8.421 0.215 18296 8456 1 20 . 1 1 75 75 THR N N 382 120.767 120.767 121.251 -0.484 18296 8457 1 20 . 1 1 75 75 THR HA H 382 3.791 3.791 4.325 -0.534 18296 8458 1 20 . 1 1 75 75 THR C C 382 181.578 181.578 171.877 9.701 18296 8459 1 20 . 1 1 75 75 THR CA C 382 61.703 61.703 61.720 -0.017 18296 8460 1 20 . 1 1 75 75 THR CB C 382 70.771 70.771 70.957 -0.186 18296 8461 1 20 . 1 1 75 75 THR H H 382 8.544 8.544 8.208 0.336 18296 8462 1 20 . 1 1 76 76 ALA N N 383 126.390 126.390 128.151 -1.761 18296 8463 1 20 . 1 1 76 76 ALA HA H 383 5.358 5.358 4.631 0.727 18296 8464 1 20 . 1 1 76 76 ALA C C 383 178.931 178.931 174.900 4.031 18296 8465 1 20 . 1 1 76 76 ALA CA C 383 50.669 50.669 50.402 0.267 18296 8466 1 20 . 1 1 76 76 ALA CB C 383 24.682 24.682 22.325 2.357 18296 8467 1 20 . 1 1 76 76 ALA H H 383 7.981 7.981 8.173 -0.192 18296 8468 1 20 . 1 1 77 77 TYR N N 384 116.182 116.182 116.489 -0.307 18296 8469 1 20 . 1 1 77 77 TYR HA H 384 5.920 5.920 4.965 0.955 18296 8470 1 20 . 1 1 77 77 TYR C C 384 177.384 177.384 176.174 1.210 18296 8471 1 20 . 1 1 77 77 TYR CA C 384 56.234 56.234 56.591 -0.357 18296 8472 1 20 . 1 1 77 77 TYR CB C 384 43.201 43.201 42.337 0.865 18296 8473 1 20 . 1 1 77 77 TYR H H 384 7.899 7.899 7.828 0.071 18296 8474 1 20 . 1 1 78 78 CYS N N 385 121.146 121.146 118.132 3.014 18296 8475 1 20 . 1 1 78 78 CYS HA H 385 4.312 4.312 4.238 0.074 18296 8476 1 20 . 1 1 78 78 CYS C C 385 178.543 178.543 176.602 1.941 18296 8477 1 20 . 1 1 78 78 CYS CA C 385 58.293 58.293 57.928 0.365 18296 8478 1 20 . 1 1 78 78 CYS CB C 385 29.815 29.815 29.449 0.366 18296 8479 1 20 . 1 1 78 78 CYS H H 385 9.855 9.855 8.607 1.248 18296 8480 1 20 . 1 1 79 79 ASP N N 386 115.334 115.334 121.297 -5.963 18296 8481 1 20 . 1 1 79 79 ASP HA H 386 3.946 3.946 4.320 -0.374 18296 8482 1 20 . 1 1 79 79 ASP C C 386 175.510 175.510 177.606 -2.096 18296 8483 1 20 . 1 1 79 79 ASP CA C 386 57.118 57.118 56.465 0.653 18296 8484 1 20 . 1 1 79 79 ASP CB C 386 40.495 40.495 40.297 0.198 18296 8485 1 20 . 1 1 79 79 ASP H H 386 7.657 7.657 8.191 -0.533 18296 8486 1 20 . 1 1 80 80 VAL N N 387 119.872 119.872 113.363 6.509 18296 8487 1 20 . 1 1 80 80 VAL HA H 387 3.579 3.579 4.099 -0.520 18296 8488 1 20 . 1 1 80 80 VAL C C 387 176.437 176.437 175.812 0.625 18296 8489 1 20 . 1 1 80 80 VAL CA C 387 64.272 64.272 62.713 1.559 18296 8490 1 20 . 1 1 80 80 VAL CB C 387 31.798 31.798 31.057 0.741 18296 8491 1 20 . 1 1 80 80 VAL H H 387 7.601 7.601 7.298 0.303 18296 8492 1 20 . 1 1 81 81 HIS N N 388 119.244 119.244 118.901 0.343 18296 8493 1 20 . 1 1 81 81 HIS HA H 388 4.632 4.632 4.558 0.074 18296 8494 1 20 . 1 1 81 81 HIS C C 388 180.644 180.644 176.164 4.480 18296 8495 1 20 . 1 1 81 81 HIS CA C 388 56.212 56.212 57.890 -1.678 18296 8496 1 20 . 1 1 81 81 HIS CB C 388 31.774 31.774 31.658 0.116 18296 8497 1 20 . 1 1 81 81 HIS H H 388 7.385 7.385 7.595 -0.210 18296 8498 1 20 . 1 1 82 82 THR N N 389 117.899 117.899 115.996 1.903 18296 8499 1 20 . 1 1 82 82 THR HA H 389 3.733 3.733 4.351 -0.618 18296 8500 1 20 . 1 1 82 82 THR C C 389 181.155 181.155 174.469 6.686 18296 8501 1 20 . 1 1 82 82 THR CA C 389 61.844 61.844 64.972 -3.128 18296 8502 1 20 . 1 1 82 82 THR CB C 389 70.285 70.285 67.079 3.206 18296 8503 1 20 . 1 1 82 82 THR H H 389 7.133 7.133 7.622 -0.489 18296 8504 1 20 . 1 1 83 83 PRO HA H 390 4.192 4.192 4.486 -0.294 18296 8505 1 20 . 1 1 83 83 PRO CA C 390 61.509 61.509 64.151 -2.642 18296 8506 1 20 . 1 1 83 83 PRO CB C 390 30.773 30.773 30.480 0.293 18296 8507 1 20 . 1 1 84 84 PRO HA H 391 4.220 4.220 4.448 -0.228 18296 8508 1 20 . 1 1 84 84 PRO C C 391 175.949 175.949 176.477 -0.528 18296 8509 1 20 . 1 1 84 84 PRO CA C 391 63.032 63.032 62.390 0.642 18296 8510 1 20 . 1 1 84 84 PRO CB C 391 31.983 31.983 33.143 -1.160 18296 8511 1 20 . 1 1 85 85 GLY N N 392 109.626 109.626 105.649 3.977 18296 8512 1 20 . 1 1 85 85 GLY C C 392 179.223 179.223 172.655 6.568 18296 8513 1 20 . 1 1 85 85 GLY CA C 392 45.359 45.359 44.312 1.047 18296 8514 1 20 . 1 1 85 85 GLY H H 392 8.367 8.367 8.116 0.251 18296 8515 1 20 . 1 1 86 86 SER N N 393 115.675 115.675 114.890 0.785 18296 8516 1 20 . 1 1 86 86 SER HA H 393 4.354 4.354 4.781 -0.427 18296 8517 1 20 . 1 1 86 86 SER C C 393 179.569 179.569 174.741 4.828 18296 8518 1 20 . 1 1 86 86 SER CA C 393 58.521 58.521 57.541 0.980 18296 8519 1 20 . 1 1 86 86 SER CB C 393 63.913 63.913 64.111 -0.198 18296 8520 1 20 . 1 1 86 86 SER H H 393 8.022 8.022 8.946 -0.924 18296 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 71 3.507 -0.320 3.518 18296 2 1 1 "Average Difference" HA 82 0.413 0.168 0.380 18296 3 1 1 "Average Difference" C 73 4.103 -2.556 3.231 18296 4 1 1 "Average Difference" CA 75 1.297 -0.068 1.304 18296 5 1 1 "Average Difference" CB 67 1.618 -0.389 1.583 18296 6 1 1 "Average Difference" HN 72 0.484 0.049 0.485 18296 7 1 2 "Average Difference" N 71 3.359 -0.691 3.311 18296 8 1 2 "Average Difference" HA 82 0.436 0.249 0.360 18296 9 1 2 "Average Difference" C 73 4.133 -2.597 3.237 18296 10 1 2 "Average Difference" CA 75 1.226 -0.095 1.230 18296 11 1 2 "Average Difference" CB 67 1.651 -0.125 1.658 18296 12 1 2 "Average Difference" HN 72 0.526 0.078 0.524 18296 13 1 3 "Average Difference" N 71 3.187 -0.631 3.147 18296 14 1 3 "Average Difference" HA 82 0.402 0.193 0.355 18296 15 1 3 "Average Difference" C 73 4.171 -2.568 3.309 18296 16 1 3 "Average Difference" CA 75 1.204 -0.030 1.211 18296 17 1 3 "Average Difference" CB 67 1.562 -0.209 1.559 18296 18 1 3 "Average Difference" HN 72 0.486 0.045 0.488 18296 19 1 4 "Average Difference" N 71 2.948 -0.555 2.916 18296 20 1 4 "Average Difference" HA 82 0.437 0.234 0.371 18296 21 1 4 "Average Difference" C 73 4.207 -2.705 3.245 18296 22 1 4 "Average Difference" CA 75 1.232 -0.007 1.241 18296 23 1 4 "Average Difference" CB 67 1.505 -0.171 1.507 18296 24 1 4 "Average Difference" HN 72 0.508 0.066 0.508 18296 25 1 5 "Average Difference" N 71 3.182 0.173 3.200 18296 26 1 5 "Average Difference" HA 82 0.415 0.176 0.378 18296 27 1 5 "Average Difference" C 73 4.084 -2.552 3.211 18296 28 1 5 "Average Difference" CA 75 1.482 -0.086 1.489 18296 29 1 5 "Average Difference" CB 67 1.635 -0.505 1.567 18296 30 1 5 "Average Difference" HN 72 0.485 0.016 0.488 18296 31 1 6 "Average Difference" N 71 3.362 -0.536 3.343 18296 32 1 6 "Average Difference" HA 82 0.411 0.148 0.385 18296 33 1 6 "Average Difference" C 73 4.140 -2.563 3.274 18296 34 1 6 "Average Difference" CA 75 1.450 0.012 1.460 18296 35 1 6 "Average Difference" CB 67 1.589 -0.283 1.575 18296 36 1 6 "Average Difference" HN 72 0.517 -0.024 0.520 18296 37 1 7 "Average Difference" N 71 3.081 -0.487 3.063 18296 38 1 7 "Average Difference" HA 82 0.400 0.180 0.360 18296 39 1 7 "Average Difference" C 73 4.187 -2.551 3.343 18296 40 1 7 "Average Difference" CA 75 1.320 0.142 1.321 18296 41 1 7 "Average Difference" CB 67 1.562 -0.411 1.519 18296 42 1 7 "Average Difference" HN 72 0.496 0.045 0.497 18296 43 1 8 "Average Difference" N 71 3.207 -0.497 3.191 18296 44 1 8 "Average Difference" HA 82 0.410 0.169 0.376 18296 45 1 8 "Average Difference" C 73 4.074 -2.510 3.231 18296 46 1 8 "Average Difference" CA 75 1.468 -0.015 1.478 18296 47 1 8 "Average Difference" CB 67 1.599 -0.310 1.581 18296 48 1 8 "Average Difference" HN 72 0.475 0.042 0.477 18296 49 1 9 "Average Difference" N 71 3.259 -0.463 3.248 18296 50 1 9 "Average Difference" HA 82 0.423 0.191 0.379 18296 51 1 9 "Average Difference" C 73 4.079 -2.578 3.183 18296 52 1 9 "Average Difference" CA 75 1.227 -0.013 1.236 18296 53 1 9 "Average Difference" CB 67 1.508 -0.241 1.500 18296 54 1 9 "Average Difference" HN 72 0.499 0.023 0.502 18296 55 1 10 "Average Difference" N 71 3.423 -0.501 3.410 18296 56 1 10 "Average Difference" HA 82 0.404 0.199 0.354 18296 57 1 10 "Average Difference" C 73 4.171 -2.588 3.293 18296 58 1 10 "Average Difference" CA 75 1.320 0.004 1.328 18296 59 1 10 "Average Difference" CB 67 1.506 -0.130 1.512 18296 60 1 10 "Average Difference" HN 72 0.508 0.045 0.509 18296 61 1 11 "Average Difference" N 71 3.413 -0.265 3.427 18296 62 1 11 "Average Difference" HA 82 0.427 0.172 0.393 18296 63 1 11 "Average Difference" C 73 4.111 -2.595 3.211 18296 64 1 11 "Average Difference" CA 75 1.441 -0.184 1.439 18296 65 1 11 "Average Difference" CB 67 1.560 -0.286 1.545 18296 66 1 11 "Average Difference" HN 72 0.478 0.028 0.481 18296 67 1 12 "Average Difference" N 71 3.215 -0.400 3.213 18296 68 1 12 "Average Difference" HA 82 0.430 0.183 0.392 18296 69 1 12 "Average Difference" C 73 4.123 -2.563 3.252 18296 70 1 12 "Average Difference" CA 75 1.444 -0.002 1.454 18296 71 1 12 "Average Difference" CB 67 1.599 -0.401 1.559 18296 72 1 12 "Average Difference" HN 72 0.492 0.021 0.495 18296 73 1 13 "Average Difference" N 71 3.009 -0.521 2.985 18296 74 1 13 "Average Difference" HA 82 0.398 0.173 0.361 18296 75 1 13 "Average Difference" C 73 4.078 -2.541 3.211 18296 76 1 13 "Average Difference" CA 75 1.345 -0.010 1.354 18296 77 1 13 "Average Difference" CB 67 1.600 -0.352 1.573 18296 78 1 13 "Average Difference" HN 72 0.492 0.008 0.495 18296 79 1 14 "Average Difference" N 71 3.509 -0.290 3.522 18296 80 1 14 "Average Difference" HA 82 0.414 0.194 0.367 18296 81 1 14 "Average Difference" C 73 4.149 -2.559 3.288 18296 82 1 14 "Average Difference" CA 75 1.321 0.010 1.329 18296 83 1 14 "Average Difference" CB 67 1.471 -0.319 1.447 18296 84 1 14 "Average Difference" HN 72 0.504 0.053 0.505 18296 85 1 15 "Average Difference" N 71 3.453 -0.411 3.453 18296 86 1 15 "Average Difference" HA 82 0.420 0.179 0.382 18296 87 1 15 "Average Difference" C 73 4.021 -2.441 3.217 18296 88 1 15 "Average Difference" CA 75 1.393 0.047 1.401 18296 89 1 15 "Average Difference" CB 67 1.515 -0.355 1.484 18296 90 1 15 "Average Difference" HN 72 0.500 0.089 0.495 18296 91 1 16 "Average Difference" N 71 3.173 -0.230 3.187 18296 92 1 16 "Average Difference" HA 82 0.405 0.166 0.372 18296 93 1 16 "Average Difference" C 73 4.074 -2.508 3.232 18296 94 1 16 "Average Difference" CA 75 1.226 0.005 1.234 18296 95 1 16 "Average Difference" CB 67 1.488 -0.324 1.463 18296 96 1 16 "Average Difference" HN 72 0.507 0.022 0.510 18296 97 1 17 "Average Difference" N 71 3.384 -0.292 3.395 18296 98 1 17 "Average Difference" HA 82 0.410 0.206 0.357 18296 99 1 17 "Average Difference" C 73 4.145 -2.592 3.257 18296 100 1 17 "Average Difference" CA 75 1.138 -0.051 1.144 18296 101 1 17 "Average Difference" CB 67 1.532 -0.219 1.528 18296 102 1 17 "Average Difference" HN 72 0.491 0.059 0.491 18296 103 1 18 "Average Difference" N 71 3.748 -0.333 3.760 18296 104 1 18 "Average Difference" HA 82 0.408 0.185 0.365 18296 105 1 18 "Average Difference" C 73 4.005 -2.555 3.105 18296 106 1 18 "Average Difference" CA 75 1.332 -0.006 1.341 18296 107 1 18 "Average Difference" CB 67 1.475 -0.288 1.458 18296 108 1 18 "Average Difference" HN 72 0.489 0.048 0.490 18296 109 1 19 "Average Difference" N 71 3.084 -0.143 3.103 18296 110 1 19 "Average Difference" HA 82 0.442 0.224 0.384 18296 111 1 19 "Average Difference" C 73 4.114 -2.629 3.185 18296 112 1 19 "Average Difference" CA 75 1.450 -0.084 1.457 18296 113 1 19 "Average Difference" CB 67 1.482 -0.273 1.468 18296 114 1 19 "Average Difference" HN 72 0.477 0.035 0.479 18296 115 1 20 "Average Difference" N 71 2.982 -0.170 2.998 18296 116 1 20 "Average Difference" HA 82 0.402 0.171 0.366 18296 117 1 20 "Average Difference" C 73 4.072 -2.528 3.214 18296 118 1 20 "Average Difference" CA 75 1.391 0.102 1.396 18296 119 1 20 "Average Difference" CB 67 1.511 -0.431 1.459 18296 120 1 20 "Average Difference" HN 72 0.499 0.048 0.500 18296 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.Model_type average _Entity_delta_chem_shifts.Entry_ID 18296 _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.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_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.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 10 10 ASN N N 317 120.101 120.101 120.265 -0.164 18296 2 1 . 1 1 10 10 ASN HA H 317 4.501 4.501 4.936 -0.435 18296 3 1 . 1 1 10 10 ASN C C 317 179.015 179.015 174.194 4.821 18296 4 1 . 1 1 10 10 ASN CA C 317 53.191 53.191 53.215 -0.024 18296 5 1 . 1 1 10 10 ASN CB C 317 38.650 38.650 39.476 -0.826 18296 6 1 . 1 1 10 10 ASN H H 317 8.415 8.415 8.526 -0.111 18296 7 1 . 1 1 11 11 ILE N N 318 122.869 122.869 120.399 2.470 18296 8 1 . 1 1 11 11 ILE HA H 318 4.250 4.250 4.429 -0.179 18296 9 1 . 1 1 11 11 ILE C C 318 179.506 179.506 174.323 5.183 18296 10 1 . 1 1 11 11 ILE CA C 318 58.332 58.332 59.403 -1.071 18296 11 1 . 1 1 11 11 ILE CB C 318 38.713 38.713 38.157 0.556 18296 12 1 . 1 1 11 11 ILE H H 318 7.924 7.924 7.989 -0.065 18296 13 1 . 1 1 12 12 PRO HA H 319 4.359 4.359 4.519 -0.160 18296 14 1 . 1 1 12 12 PRO CA C 319 61.487 61.487 63.246 -1.759 18296 15 1 . 1 1 12 12 PRO CB C 319 30.960 30.960 30.783 0.177 18296 16 1 . 1 1 13 13 PRO HA H 320 3.968 3.968 4.412 -0.444 18296 17 1 . 1 1 13 13 PRO C C 320 176.730 176.730 175.837 0.893 18296 18 1 . 1 1 13 13 PRO CA C 320 62.874 62.874 62.975 -0.101 18296 19 1 . 1 1 13 13 PRO CB C 320 31.948 31.948 31.782 0.166 18296 20 1 . 1 1 14 14 ALA N N 321 123.469 123.469 123.802 -0.333 18296 21 1 . 1 1 14 14 ALA HA H 321 3.952 3.952 4.291 -0.339 18296 22 1 . 1 1 14 14 ALA C C 321 175.208 175.208 176.724 -1.516 18296 23 1 . 1 1 14 14 ALA CA C 321 52.876 52.876 52.084 0.792 18296 24 1 . 1 1 14 14 ALA CB C 321 18.896 18.896 19.343 -0.447 18296 25 1 . 1 1 14 14 ALA H H 321 8.108 8.108 7.944 0.164 18296 26 1 . 1 1 15 15 ARG N N 322 118.725 118.725 120.359 -1.634 18296 27 1 . 1 1 15 15 ARG HA H 322 3.943 3.943 4.271 -0.328 18296 28 1 . 1 1 15 15 ARG C C 322 176.870 176.870 176.026 0.844 18296 29 1 . 1 1 15 15 ARG CA C 322 56.737 56.737 56.563 0.174 18296 30 1 . 1 1 15 15 ARG CB C 322 30.230 30.230 29.938 0.292 18296 31 1 . 1 1 15 15 ARG H H 322 8.077 8.077 8.191 -0.114 18296 32 1 . 1 1 16 16 TRP N N 323 120.113 120.113 121.702 -1.589 18296 33 1 . 1 1 16 16 TRP HA H 323 4.471 4.471 4.795 -0.324 18296 34 1 . 1 1 16 16 TRP C C 323 177.322 177.322 175.468 1.854 18296 35 1 . 1 1 16 16 TRP CA C 323 57.143 57.143 54.499 2.644 18296 36 1 . 1 1 16 16 TRP CB C 323 29.192 29.192 27.659 1.533 18296 37 1 . 1 1 16 16 TRP H H 323 7.634 7.634 8.048 -0.414 18296 38 1 . 1 1 17 17 LYS N N 324 121.400 121.400 122.036 -0.636 18296 39 1 . 1 1 17 17 LYS HA H 324 3.951 3.951 4.435 -0.484 18296 40 1 . 1 1 17 17 LYS C C 324 179.457 179.457 175.791 3.666 18296 41 1 . 1 1 17 17 LYS CA C 324 56.502 56.502 55.704 0.798 18296 42 1 . 1 1 17 17 LYS CB C 324 32.867 32.867 33.462 -0.596 18296 43 1 . 1 1 17 17 LYS H H 324 7.735 7.735 7.955 -0.220 18296 44 1 . 1 1 18 18 LEU N N 325 121.064 121.064 122.796 -1.732 18296 45 1 . 1 1 18 18 LEU HA H 325 4.141 4.141 4.512 -0.371 18296 46 1 . 1 1 18 18 LEU C C 325 176.781 176.781 175.877 0.904 18296 47 1 . 1 1 18 18 LEU CA C 325 54.574 54.574 54.650 -0.076 18296 48 1 . 1 1 18 18 LEU CB C 325 42.252 42.252 42.362 -0.110 18296 49 1 . 1 1 18 18 LEU H H 325 7.708 7.708 8.230 -0.522 18296 50 1 . 1 1 19 19 THR N N 326 117.252 117.252 116.276 0.976 18296 51 1 . 1 1 19 19 THR HA H 326 3.935 3.935 4.517 -0.582 18296 52 1 . 1 1 19 19 THR C C 326 180.854 180.854 173.402 7.452 18296 53 1 . 1 1 19 19 THR CA C 326 61.977 61.977 61.162 0.815 18296 54 1 . 1 1 19 19 THR CB C 326 70.166 70.166 70.720 -0.554 18296 55 1 . 1 1 19 19 THR H H 326 7.915 7.915 8.000 -0.085 18296 56 1 . 1 1 20 20 CYS N N 327 127.254 127.254 123.817 3.437 18296 57 1 . 1 1 20 20 CYS HA H 327 4.324 4.324 5.031 -0.707 18296 58 1 . 1 1 20 20 CYS C C 327 175.898 175.898 176.587 -0.689 18296 59 1 . 1 1 20 20 CYS CA C 327 57.928 57.928 57.405 0.523 18296 60 1 . 1 1 20 20 CYS CB C 327 31.298 31.298 28.199 3.098 18296 61 1 . 1 1 20 20 CYS H H 327 8.055 8.055 8.640 -0.585 18296 62 1 . 1 1 21 21 TYR N N 328 129.752 129.752 124.493 5.259 18296 63 1 . 1 1 21 21 TYR HA H 328 4.488 4.488 4.532 -0.044 18296 64 1 . 1 1 21 21 TYR C C 328 178.625 178.625 176.331 2.294 18296 65 1 . 1 1 21 21 TYR CA C 328 58.951 58.951 59.442 -0.491 18296 66 1 . 1 1 21 21 TYR CB C 328 37.712 37.712 38.060 -0.348 18296 67 1 . 1 1 21 21 TYR H H 328 9.082 9.082 8.452 0.630 18296 68 1 . 1 1 22 22 LEU N N 329 124.057 124.057 119.054 5.003 18296 69 1 . 1 1 22 22 LEU HA H 329 3.749 3.749 4.346 -0.597 18296 70 1 . 1 1 22 22 LEU C C 329 176.268 176.268 176.760 -0.492 18296 71 1 . 1 1 22 22 LEU CA C 329 56.514 56.514 54.854 1.660 18296 72 1 . 1 1 22 22 LEU CB C 329 42.975 42.975 42.112 0.863 18296 73 1 . 1 1 22 22 LEU H H 329 8.140 8.140 7.515 0.625 18296 74 1 . 1 1 23 23 CYS N N 330 117.734 117.734 116.313 1.421 18296 75 1 . 1 1 23 23 CYS HA H 330 4.741 4.741 4.785 -0.044 18296 76 1 . 1 1 23 23 CYS C C 330 177.769 177.769 172.909 4.860 18296 77 1 . 1 1 23 23 CYS CA C 330 58.459 58.459 57.352 1.107 18296 78 1 . 1 1 23 23 CYS CB C 330 30.918 30.918 31.313 -0.395 18296 79 1 . 1 1 23 23 CYS H H 330 7.971 7.971 7.290 0.681 18296 80 1 . 1 1 24 24 LYS N N 331 118.437 118.437 119.675 -1.238 18296 81 1 . 1 1 24 24 LYS HA H 331 3.980 3.980 4.473 -0.493 18296 82 1 . 1 1 24 24 LYS C C 331 178.178 178.178 175.419 2.759 18296 83 1 . 1 1 24 24 LYS CA C 331 57.520 57.520 56.447 1.073 18296 84 1 . 1 1 24 24 LYS CB C 331 29.278 29.278 32.538 -3.260 18296 85 1 . 1 1 24 24 LYS H H 331 7.842 7.842 8.380 -0.538 18296 86 1 . 1 1 25 25 GLN N N 332 118.445 118.445 119.512 -1.067 18296 87 1 . 1 1 25 25 GLN HA H 332 4.574 4.574 4.555 0.019 18296 88 1 . 1 1 25 25 GLN C C 332 177.619 177.619 174.912 2.707 18296 89 1 . 1 1 25 25 GLN CA C 332 54.362 54.362 54.871 -0.508 18296 90 1 . 1 1 25 25 GLN CB C 332 31.843 31.843 29.883 1.960 18296 91 1 . 1 1 25 25 GLN H H 332 8.306 8.306 8.113 0.193 18296 92 1 . 1 1 26 26 LYS N N 333 122.851 122.851 122.580 0.271 18296 93 1 . 1 1 26 26 LYS HA H 333 4.222 4.222 4.249 -0.027 18296 94 1 . 1 1 26 26 LYS C C 333 175.456 175.456 176.698 -1.242 18296 95 1 . 1 1 26 26 LYS CA C 333 57.729 57.729 56.719 1.010 18296 96 1 . 1 1 26 26 LYS CB C 333 32.925 32.925 31.714 1.210 18296 97 1 . 1 1 26 26 LYS H H 333 8.545 8.545 8.489 0.056 18296 98 1 . 1 1 27 27 GLY N N 334 107.216 107.216 112.234 -5.018 18296 99 1 . 1 1 27 27 GLY C C 334 180.017 180.017 173.656 6.361 18296 100 1 . 1 1 27 27 GLY CA C 334 45.559 45.559 45.134 0.425 18296 101 1 . 1 1 27 27 GLY H H 334 8.348 8.348 8.434 -0.086 18296 102 1 . 1 1 28 28 VAL N N 335 117.437 117.437 120.788 -3.351 18296 103 1 . 1 1 28 28 VAL HA H 335 4.133 4.133 4.278 -0.145 18296 104 1 . 1 1 28 28 VAL C C 335 177.439 177.439 175.919 1.520 18296 105 1 . 1 1 28 28 VAL CA C 335 61.502 61.502 62.838 -1.336 18296 106 1 . 1 1 28 28 VAL CB C 335 33.563 33.563 32.581 0.982 18296 107 1 . 1 1 28 28 VAL H H 335 7.867 7.867 8.285 -0.418 18296 108 1 . 1 1 29 29 GLY N N 336 110.723 110.723 109.792 0.931 18296 109 1 . 1 1 29 29 GLY C C 336 180.088 180.088 173.563 6.525 18296 110 1 . 1 1 29 29 GLY CA C 336 44.344 44.344 45.955 -1.611 18296 111 1 . 1 1 29 29 GLY H H 336 8.186 8.186 8.558 -0.372 18296 112 1 . 1 1 30 30 ALA N N 337 122.643 122.643 124.777 -2.134 18296 113 1 . 1 1 30 30 ALA HA H 337 4.193 4.193 4.782 -0.589 18296 114 1 . 1 1 30 30 ALA C C 337 175.274 175.274 175.877 -0.603 18296 115 1 . 1 1 30 30 ALA CA C 337 52.904 52.904 51.386 1.518 18296 116 1 . 1 1 30 30 ALA CB C 337 19.677 19.677 20.376 -0.699 18296 117 1 . 1 1 30 30 ALA H H 337 8.269 8.269 7.979 0.290 18296 118 1 . 1 1 31 31 SER N N 338 117.644 117.644 117.211 0.433 18296 119 1 . 1 1 31 31 SER HA H 338 4.775 4.775 4.837 -0.062 18296 120 1 . 1 1 31 31 SER C C 338 180.923 180.923 173.179 7.744 18296 121 1 . 1 1 31 31 SER CA C 338 57.406 57.406 57.342 0.064 18296 122 1 . 1 1 31 31 SER CB C 338 65.388 65.388 65.087 0.301 18296 123 1 . 1 1 31 31 SER H H 338 8.415 8.415 8.413 0.002 18296 124 1 . 1 1 32 32 ILE N N 339 121.240 121.240 123.285 -2.045 18296 125 1 . 1 1 32 32 ILE HA H 339 4.123 4.123 4.288 -0.165 18296 126 1 . 1 1 32 32 ILE C C 339 181.302 181.302 173.429 7.873 18296 127 1 . 1 1 32 32 ILE CA C 339 59.768 59.768 59.505 0.263 18296 128 1 . 1 1 32 32 ILE CB C 339 41.252 41.252 41.272 -0.020 18296 129 1 . 1 1 32 32 ILE H H 339 8.522 8.522 8.807 -0.285 18296 130 1 . 1 1 33 33 GLN N N 340 120.384 120.384 126.026 -5.642 18296 131 1 . 1 1 33 33 GLN HA H 340 4.335 4.335 4.905 -0.570 18296 132 1 . 1 1 33 33 GLN C C 340 179.377 179.377 174.874 4.503 18296 133 1 . 1 1 33 33 GLN CA C 340 53.739 53.739 54.259 -0.520 18296 134 1 . 1 1 33 33 GLN CB C 340 32.179 32.179 31.444 0.735 18296 135 1 . 1 1 33 33 GLN H H 340 7.720 7.720 8.200 -0.480 18296 136 1 . 1 1 34 34 CYS N N 341 125.463 125.463 127.038 -1.575 18296 137 1 . 1 1 34 34 CYS HA H 341 4.036 4.036 4.758 -0.722 18296 138 1 . 1 1 34 34 CYS C C 341 178.269 178.269 176.234 2.035 18296 139 1 . 1 1 34 34 CYS CA C 341 60.992 60.992 59.112 1.880 18296 140 1 . 1 1 34 34 CYS CB C 341 32.346 32.346 27.933 4.413 18296 141 1 . 1 1 34 34 CYS H H 341 8.292 8.292 8.770 -0.478 18296 142 1 . 1 1 35 35 HIS N N 342 126.611 126.611 128.404 -1.793 18296 143 1 . 1 1 35 35 HIS HA H 342 4.128 4.128 4.325 -0.197 18296 144 1 . 1 1 35 35 HIS CA C 342 57.556 57.556 57.708 -0.152 18296 145 1 . 1 1 35 35 HIS CB C 342 29.945 29.945 31.032 -1.087 18296 146 1 . 1 1 35 35 HIS H H 342 8.722 8.722 8.576 0.146 18296 147 1 . 1 1 36 36 LYS N N 343 124.049 124.049 116.958 7.091 18296 148 1 . 1 1 36 36 LYS HA H 343 3.940 3.940 3.927 0.013 18296 149 1 . 1 1 36 36 LYS C C 343 176.701 176.701 176.265 0.436 18296 150 1 . 1 1 36 36 LYS CA C 343 56.155 56.155 56.351 -0.196 18296 151 1 . 1 1 36 36 LYS CB C 343 33.033 33.033 32.294 0.740 18296 152 1 . 1 1 36 36 LYS H H 343 8.567 8.567 8.131 0.436 18296 153 1 . 1 1 37 37 ALA N N 344 130.751 130.751 128.223 2.528 18296 154 1 . 1 1 37 37 ALA HA H 344 3.733 3.733 3.354 0.379 18296 155 1 . 1 1 37 37 ALA C C 344 175.302 175.302 177.785 -2.483 18296 156 1 . 1 1 37 37 ALA CA C 344 53.917 53.917 53.883 0.034 18296 157 1 . 1 1 37 37 ALA CB C 344 18.206 18.206 18.447 -0.241 18296 158 1 . 1 1 37 37 ALA H H 344 8.363 8.363 8.516 -0.153 18296 159 1 . 1 1 38 38 ASN N N 345 114.094 114.094 116.186 -2.092 18296 160 1 . 1 1 38 38 ASN HA H 345 3.885 3.885 4.604 -0.719 18296 161 1 . 1 1 38 38 ASN C C 345 181.195 181.195 176.421 4.775 18296 162 1 . 1 1 38 38 ASN CA C 345 53.606 53.606 55.006 -1.400 18296 163 1 . 1 1 38 38 ASN CB C 345 37.443 37.443 38.609 -1.166 18296 164 1 . 1 1 38 38 ASN H H 345 8.292 8.292 8.481 -0.189 18296 165 1 . 1 1 39 39 CYS N N 346 121.417 121.417 118.361 3.056 18296 166 1 . 1 1 39 39 CYS C C 346 178.723 178.723 175.494 3.229 18296 167 1 . 1 1 39 39 CYS H H 346 7.283 7.283 7.748 -0.465 18296 168 1 . 1 1 40 40 TYR HA H 347 4.212 4.212 4.262 -0.050 18296 169 1 . 1 1 40 40 TYR C C 347 178.156 178.156 174.418 3.738 18296 170 1 . 1 1 40 40 TYR CA C 347 56.478 56.478 59.123 -2.645 18296 171 1 . 1 1 40 40 TYR CB C 347 37.446 37.446 35.797 1.649 18296 172 1 . 1 1 40 40 TYR H H 347 7.923 7.923 8.126 -0.203 18296 173 1 . 1 1 41 41 THR N N 348 122.674 122.674 116.381 6.293 18296 174 1 . 1 1 41 41 THR HA H 348 3.806 3.806 4.722 -0.916 18296 175 1 . 1 1 41 41 THR C C 348 182.343 182.343 173.260 9.083 18296 176 1 . 1 1 41 41 THR CA C 348 64.932 64.932 61.845 3.087 18296 177 1 . 1 1 41 41 THR CB C 348 68.772 68.772 70.947 -2.175 18296 178 1 . 1 1 41 41 THR H H 348 8.421 8.421 7.796 0.625 18296 179 1 . 1 1 42 42 ALA N N 349 130.177 130.177 127.868 2.309 18296 180 1 . 1 1 42 42 ALA HA H 349 4.967 4.967 5.306 -0.339 18296 181 1 . 1 1 42 42 ALA C C 349 176.955 176.955 175.944 1.011 18296 182 1 . 1 1 42 42 ALA CA C 349 49.997 49.997 50.745 -0.748 18296 183 1 . 1 1 42 42 ALA CB C 349 23.467 23.467 21.506 1.961 18296 184 1 . 1 1 42 42 ALA H H 349 8.856 8.856 8.864 -0.008 18296 185 1 . 1 1 43 43 PHE N N 350 113.053 113.053 118.756 -5.703 18296 186 1 . 1 1 43 43 PHE HA H 350 5.525 5.525 4.772 0.753 18296 187 1 . 1 1 43 43 PHE C C 350 177.894 177.894 173.503 4.390 18296 188 1 . 1 1 43 43 PHE CA C 350 53.625 53.625 56.159 -2.534 18296 189 1 . 1 1 43 43 PHE CB C 350 39.459 39.459 40.778 -1.319 18296 190 1 . 1 1 43 43 PHE H H 350 7.912 7.912 8.849 -0.937 18296 191 1 . 1 1 44 44 HIS N N 351 118.497 118.497 119.071 -0.574 18296 192 1 . 1 1 44 44 HIS HA H 351 4.892 4.892 4.880 0.012 18296 193 1 . 1 1 44 44 HIS C C 351 176.371 176.371 176.919 -0.548 18296 194 1 . 1 1 44 44 HIS CA C 351 58.019 58.019 56.306 1.713 18296 195 1 . 1 1 44 44 HIS CB C 351 31.716 31.716 30.499 1.217 18296 196 1 . 1 1 44 44 HIS H H 351 9.335 9.335 8.403 0.932 18296 197 1 . 1 1 45 45 VAL N N 352 124.407 124.407 121.919 2.488 18296 198 1 . 1 1 45 45 VAL HA H 352 3.476 3.476 3.740 -0.264 18296 199 1 . 1 1 45 45 VAL C C 352 175.305 175.305 177.770 -2.465 18296 200 1 . 1 1 45 45 VAL CA C 352 67.359 67.359 66.877 0.482 18296 201 1 . 1 1 45 45 VAL CB C 352 31.627 31.627 31.576 0.051 18296 202 1 . 1 1 45 45 VAL H H 352 8.654 8.654 8.284 0.370 18296 203 1 . 1 1 46 46 THR N N 353 111.166 111.166 115.263 -4.097 18296 204 1 . 1 1 46 46 THR HA H 353 3.997 3.997 4.095 -0.098 18296 205 1 . 1 1 46 46 THR C C 353 175.010 175.010 176.255 -1.245 18296 206 1 . 1 1 46 46 THR CA C 353 65.008 65.008 65.724 -0.716 18296 207 1 . 1 1 46 46 THR CB C 353 67.830 67.830 68.519 -0.689 18296 208 1 . 1 1 46 46 THR H H 353 8.370 8.370 8.351 0.019 18296 209 1 . 1 1 47 47 CYS N N 354 120.975 120.975 119.305 1.670 18296 210 1 . 1 1 47 47 CYS HA H 354 3.762 3.762 4.260 -0.498 18296 211 1 . 1 1 47 47 CYS C C 354 175.912 175.912 177.023 -1.111 18296 212 1 . 1 1 47 47 CYS CA C 354 63.372 63.372 62.395 0.977 18296 213 1 . 1 1 47 47 CYS CB C 354 29.076 29.076 25.842 3.234 18296 214 1 . 1 1 47 47 CYS H H 354 6.668 6.668 8.549 -1.881 18296 215 1 . 1 1 48 48 ALA N N 355 123.247 123.247 123.197 0.050 18296 216 1 . 1 1 48 48 ALA HA H 355 3.511 3.511 4.090 -0.579 18296 217 1 . 1 1 48 48 ALA C C 355 174.031 174.031 179.483 -5.452 18296 218 1 . 1 1 48 48 ALA CA C 355 55.045 55.045 55.133 -0.088 18296 219 1 . 1 1 48 48 ALA CB C 355 19.962 19.962 18.761 1.201 18296 220 1 . 1 1 48 48 ALA H H 355 8.481 8.481 8.072 0.409 18296 221 1 . 1 1 49 49 GLN N N 356 118.150 118.150 117.698 0.452 18296 222 1 . 1 1 49 49 GLN HA H 356 4.003 4.003 4.010 -0.007 18296 223 1 . 1 1 49 49 GLN C C 356 173.755 173.755 178.586 -4.831 18296 224 1 . 1 1 49 49 GLN CA C 356 58.728 58.728 58.694 0.034 18296 225 1 . 1 1 49 49 GLN CB C 356 28.196 28.196 28.750 -0.554 18296 226 1 . 1 1 49 49 GLN H H 356 8.055 8.055 8.026 0.029 18296 227 1 . 1 1 50 50 LYS N N 357 120.248 120.248 118.341 1.907 18296 228 1 . 1 1 50 50 LYS HA H 357 3.866 3.866 4.197 -0.331 18296 229 1 . 1 1 50 50 LYS C C 357 175.624 175.624 178.213 -2.589 18296 230 1 . 1 1 50 50 LYS CA C 357 58.989 58.989 57.765 1.224 18296 231 1 . 1 1 50 50 LYS CB C 357 32.377 32.377 32.529 -0.152 18296 232 1 . 1 1 50 50 LYS H H 357 7.628 7.628 7.866 -0.238 18296 233 1 . 1 1 51 51 ALA N N 358 118.343 118.343 119.994 -1.651 18296 234 1 . 1 1 51 51 ALA HA H 358 4.138 4.138 4.246 -0.108 18296 235 1 . 1 1 51 51 ALA C C 358 176.132 176.132 178.305 -2.173 18296 236 1 . 1 1 51 51 ALA CA C 358 52.263 52.263 53.238 -0.975 18296 237 1 . 1 1 51 51 ALA CB C 358 19.690 19.690 19.562 0.128 18296 238 1 . 1 1 51 51 ALA H H 358 7.558 7.558 7.581 -0.023 18296 239 1 . 1 1 52 52 GLY N N 359 107.058 107.058 107.161 -0.103 18296 240 1 . 1 1 52 52 GLY C C 359 178.221 178.221 174.055 4.166 18296 241 1 . 1 1 52 52 GLY CA C 359 46.323 46.323 45.029 1.294 18296 242 1 . 1 1 52 52 GLY H H 359 7.481 7.481 8.138 -0.657 18296 243 1 . 1 1 53 53 LEU N N 360 118.335 118.335 116.418 1.917 18296 244 1 . 1 1 53 53 LEU HA H 360 4.002 4.002 4.860 -0.858 18296 245 1 . 1 1 53 53 LEU C C 360 176.917 176.917 176.332 0.585 18296 246 1 . 1 1 53 53 LEU CA C 360 54.926 54.926 52.845 2.081 18296 247 1 . 1 1 53 53 LEU CB C 360 39.949 39.949 43.074 -3.125 18296 248 1 . 1 1 53 53 LEU H H 360 7.502 7.502 7.294 0.208 18296 249 1 . 1 1 54 54 TYR N N 361 124.191 124.191 120.775 3.416 18296 250 1 . 1 1 54 54 TYR HA H 361 4.024 4.024 4.508 -0.484 18296 251 1 . 1 1 54 54 TYR C C 361 178.584 178.584 174.915 3.669 18296 252 1 . 1 1 54 54 TYR CA C 361 59.385 59.385 59.034 0.351 18296 253 1 . 1 1 54 54 TYR CB C 361 39.068 39.068 39.685 -0.617 18296 254 1 . 1 1 54 54 TYR H H 361 9.307 9.307 8.666 0.641 18296 255 1 . 1 1 55 55 MET N N 362 127.473 127.473 127.101 0.372 18296 256 1 . 1 1 55 55 MET HA H 362 4.953 4.953 4.612 0.341 18296 257 1 . 1 1 55 55 MET C C 362 179.342 179.342 174.380 4.962 18296 258 1 . 1 1 55 55 MET CA C 362 54.918 54.918 54.162 0.756 18296 259 1 . 1 1 55 55 MET CB C 362 35.857 35.857 35.363 0.494 18296 260 1 . 1 1 55 55 MET H H 362 7.575 7.575 7.853 -0.278 18296 261 1 . 1 1 56 56 LYS N N 363 124.429 124.429 125.061 -0.632 18296 262 1 . 1 1 56 56 LYS HA H 363 4.339 4.339 4.458 -0.119 18296 263 1 . 1 1 56 56 LYS C C 363 178.541 178.541 175.066 3.475 18296 264 1 . 1 1 56 56 LYS CA C 363 54.939 54.939 55.473 -0.534 18296 265 1 . 1 1 56 56 LYS CB C 363 35.977 35.977 34.945 1.032 18296 266 1 . 1 1 56 56 LYS H H 363 8.575 8.575 8.413 0.162 18296 267 1 . 1 1 57 57 MET N N 364 123.350 123.350 121.168 2.182 18296 268 1 . 1 1 57 57 MET HA H 364 4.801 4.801 4.716 0.085 18296 269 1 . 1 1 57 57 MET C C 364 178.016 178.016 174.905 3.111 18296 270 1 . 1 1 57 57 MET CA C 364 54.111 54.111 55.262 -1.151 18296 271 1 . 1 1 57 57 MET H H 364 8.484 8.484 8.484 0.000 18296 272 1 . 1 1 58 58 GLU N N 365 121.319 121.319 122.308 -0.989 18296 273 1 . 1 1 58 58 GLU H H 365 8.193 8.193 8.769 -0.576 18296 274 1 . 1 1 59 59 PRO HA H 366 4.665 4.665 4.406 0.259 18296 275 1 . 1 1 59 59 PRO C C 366 176.742 176.742 176.114 0.628 18296 276 1 . 1 1 59 59 PRO CA C 366 62.524 62.524 62.499 0.025 18296 277 1 . 1 1 59 59 PRO CB C 366 32.125 32.125 32.269 -0.144 18296 278 1 . 1 1 60 60 VAL N N 367 122.754 122.754 118.697 4.057 18296 279 1 . 1 1 60 60 VAL HA H 367 4.105 4.105 4.422 -0.317 18296 280 1 . 1 1 60 60 VAL C C 367 178.435 178.435 174.481 3.954 18296 281 1 . 1 1 60 60 VAL CA C 367 61.529 61.529 60.228 1.301 18296 282 1 . 1 1 60 60 VAL CB C 367 34.057 34.057 34.428 -0.371 18296 283 1 . 1 1 60 60 VAL H H 367 8.509 8.509 8.347 0.162 18296 284 1 . 1 1 61 61 LYS N N 368 126.381 126.381 124.973 1.408 18296 285 1 . 1 1 61 61 LYS HA H 368 4.180 4.180 4.651 -0.471 18296 286 1 . 1 1 61 61 LYS C C 368 177.499 177.499 175.862 1.637 18296 287 1 . 1 1 61 61 LYS CA C 368 56.047 56.047 55.318 0.729 18296 288 1 . 1 1 61 61 LYS CB C 368 33.313 33.313 33.454 -0.141 18296 289 1 . 1 1 61 61 LYS H H 368 8.379 8.379 8.379 0.000 18296 290 1 . 1 1 62 62 GLU N N 369 123.927 123.927 119.947 3.980 18296 291 1 . 1 1 62 62 GLU HA H 369 4.246 4.246 4.300 -0.054 18296 292 1 . 1 1 62 62 GLU C C 369 177.861 177.861 175.660 2.201 18296 293 1 . 1 1 62 62 GLU CA C 369 55.596 55.596 56.601 -1.005 18296 294 1 . 1 1 62 62 GLU CB C 369 31.289 31.289 30.992 0.297 18296 295 1 . 1 1 62 62 GLU H H 369 8.355 8.355 8.431 -0.076 18296 296 1 . 1 1 63 63 LEU N N 370 124.406 124.406 118.550 5.856 18296 297 1 . 1 1 63 63 LEU HA H 370 4.356 4.356 4.619 -0.263 18296 298 1 . 1 1 63 63 LEU C C 370 176.026 176.026 176.629 -0.603 18296 299 1 . 1 1 63 63 LEU CA C 370 55.223 55.223 56.117 -0.894 18296 300 1 . 1 1 63 63 LEU CB C 370 42.061 42.061 42.905 -0.844 18296 301 1 . 1 1 63 63 LEU H H 370 8.419 8.419 8.548 -0.129 18296 302 1 . 1 1 64 64 THR N N 371 114.722 114.722 112.769 1.953 18296 303 1 . 1 1 64 64 THR HA H 371 4.306 4.306 4.400 -0.095 18296 304 1 . 1 1 64 64 THR C C 371 178.158 178.158 174.725 3.433 18296 305 1 . 1 1 64 64 THR CA C 371 61.196 61.196 62.102 -0.906 18296 306 1 . 1 1 64 64 THR CB C 371 70.416 70.416 69.500 0.916 18296 307 1 . 1 1 64 64 THR H H 371 7.966 7.966 7.753 0.213 18296 308 1 . 1 1 65 65 GLY N N 372 111.711 111.711 111.354 0.357 18296 309 1 . 1 1 65 65 GLY C C 372 178.512 178.512 174.343 4.169 18296 310 1 . 1 1 65 65 GLY CA C 372 46.227 46.227 45.238 0.989 18296 311 1 . 1 1 65 65 GLY H H 372 8.565 8.565 8.309 0.256 18296 312 1 . 1 1 66 66 GLY N N 373 108.771 108.771 109.715 -0.944 18296 313 1 . 1 1 66 66 GLY C C 373 178.999 178.999 174.771 4.228 18296 314 1 . 1 1 66 66 GLY CA C 373 45.287 45.287 45.235 0.052 18296 315 1 . 1 1 66 66 GLY H H 373 8.227 8.227 8.226 0.001 18296 316 1 . 1 1 67 67 GLY N N 374 108.901 108.901 109.836 -0.935 18296 317 1 . 1 1 67 67 GLY C C 374 179.721 179.721 173.407 6.314 18296 318 1 . 1 1 67 67 GLY CA C 374 44.987 44.987 44.979 0.008 18296 319 1 . 1 1 67 67 GLY H H 374 7.876 7.876 8.061 -0.185 18296 320 1 . 1 1 68 68 THR N N 375 114.505 114.505 114.997 -0.492 18296 321 1 . 1 1 68 68 THR HA H 375 4.450 4.450 4.498 -0.048 18296 322 1 . 1 1 68 68 THR C C 375 178.997 178.997 173.722 5.275 18296 323 1 . 1 1 68 68 THR CA C 375 61.900 61.900 61.896 0.004 18296 324 1 . 1 1 68 68 THR CB C 375 70.047 70.047 69.742 0.305 18296 325 1 . 1 1 68 68 THR H H 375 8.112 8.112 8.023 0.089 18296 326 1 . 1 1 69 69 THR N N 376 118.054 118.054 116.304 1.750 18296 327 1 . 1 1 69 69 THR HA H 376 4.302 4.302 4.198 0.104 18296 328 1 . 1 1 69 69 THR C C 376 180.403 180.403 173.521 6.882 18296 329 1 . 1 1 69 69 THR CA C 376 61.114 61.114 62.651 -1.537 18296 330 1 . 1 1 69 69 THR CB C 376 70.422 70.422 69.319 1.103 18296 331 1 . 1 1 69 69 THR H H 376 8.259 8.259 8.297 -0.038 18296 332 1 . 1 1 70 70 PHE N N 377 122.009 122.009 123.702 -1.693 18296 333 1 . 1 1 70 70 PHE HA H 377 4.910 4.910 4.731 0.179 18296 334 1 . 1 1 70 70 PHE C C 377 177.972 177.972 174.886 3.086 18296 335 1 . 1 1 70 70 PHE CA C 377 57.227 57.227 57.656 -0.429 18296 336 1 . 1 1 70 70 PHE CB C 377 40.873 40.873 40.269 0.604 18296 337 1 . 1 1 70 70 PHE H H 377 8.351 8.351 8.234 0.117 18296 338 1 . 1 1 71 71 SER N N 378 117.853 117.853 120.033 -2.180 18296 339 1 . 1 1 71 71 SER HA H 378 4.493 4.493 4.762 -0.269 18296 340 1 . 1 1 71 71 SER C C 378 180.063 180.063 172.370 7.693 18296 341 1 . 1 1 71 71 SER CA C 378 57.276 57.276 57.516 -0.240 18296 342 1 . 1 1 71 71 SER CB C 378 64.612 64.612 65.487 -0.875 18296 343 1 . 1 1 71 71 SER H H 378 8.519 8.519 8.351 0.168 18296 344 1 . 1 1 72 72 VAL N N 379 120.162 120.162 121.027 -0.865 18296 345 1 . 1 1 72 72 VAL HA H 379 4.441 4.441 4.251 0.190 18296 346 1 . 1 1 72 72 VAL C C 379 178.192 178.192 174.795 3.397 18296 347 1 . 1 1 72 72 VAL CA C 379 61.369 61.369 61.441 -0.071 18296 348 1 . 1 1 72 72 VAL CB C 379 33.944 33.944 34.111 -0.167 18296 349 1 . 1 1 72 72 VAL H H 379 8.277 8.277 8.313 -0.036 18296 350 1 . 1 1 73 73 ARG N N 380 126.538 126.538 125.246 1.291 18296 351 1 . 1 1 73 73 ARG HA H 380 4.430 4.430 4.612 -0.182 18296 352 1 . 1 1 73 73 ARG C C 380 177.524 177.524 174.623 2.901 18296 353 1 . 1 1 73 73 ARG CA C 380 54.744 54.744 54.959 -0.215 18296 354 1 . 1 1 73 73 ARG CB C 380 32.635 32.635 32.275 0.360 18296 355 1 . 1 1 73 73 ARG H H 380 8.727 8.727 8.324 0.403 18296 356 1 . 1 1 74 74 LYS N N 381 126.485 126.485 125.161 1.324 18296 357 1 . 1 1 74 74 LYS HA H 381 4.613 4.613 4.633 -0.020 18296 358 1 . 1 1 74 74 LYS C C 381 178.050 178.050 175.763 2.287 18296 359 1 . 1 1 74 74 LYS CA C 381 56.325 56.325 55.517 0.808 18296 360 1 . 1 1 74 74 LYS CB C 381 33.149 33.149 34.861 -1.712 18296 361 1 . 1 1 74 74 LYS H H 381 8.636 8.636 8.509 0.127 18296 362 1 . 1 1 75 75 THR N N 382 120.767 120.767 120.489 0.278 18296 363 1 . 1 1 75 75 THR HA H 382 3.791 3.791 4.306 -0.515 18296 364 1 . 1 1 75 75 THR C C 382 181.578 181.578 172.479 9.099 18296 365 1 . 1 1 75 75 THR CA C 382 61.703 61.703 61.663 0.040 18296 366 1 . 1 1 75 75 THR CB C 382 70.771 70.771 69.866 0.905 18296 367 1 . 1 1 75 75 THR H H 382 8.544 8.544 8.218 0.326 18296 368 1 . 1 1 76 76 ALA N N 383 126.390 126.390 127.851 -1.461 18296 369 1 . 1 1 76 76 ALA HA H 383 5.358 5.358 4.723 0.635 18296 370 1 . 1 1 76 76 ALA C C 383 178.931 178.931 175.525 3.406 18296 371 1 . 1 1 76 76 ALA CA C 383 50.669 50.669 50.900 -0.231 18296 372 1 . 1 1 76 76 ALA CB C 383 24.682 24.682 21.453 3.229 18296 373 1 . 1 1 76 76 ALA H H 383 7.981 7.981 8.116 -0.135 18296 374 1 . 1 1 77 77 TYR N N 384 116.182 116.182 120.349 -4.167 18296 375 1 . 1 1 77 77 TYR HA H 384 5.920 5.920 4.867 1.053 18296 376 1 . 1 1 77 77 TYR C C 384 177.384 177.384 176.356 1.028 18296 377 1 . 1 1 77 77 TYR CA C 384 56.234 56.234 56.936 -0.702 18296 378 1 . 1 1 77 77 TYR CB C 384 43.201 43.201 40.961 2.240 18296 379 1 . 1 1 77 77 TYR H H 384 7.899 7.899 8.022 -0.123 18296 380 1 . 1 1 78 78 CYS N N 385 121.146 121.146 118.333 2.813 18296 381 1 . 1 1 78 78 CYS HA H 385 4.312 4.312 4.065 0.247 18296 382 1 . 1 1 78 78 CYS C C 385 178.543 178.543 176.306 2.237 18296 383 1 . 1 1 78 78 CYS CA C 385 58.293 58.293 58.156 0.137 18296 384 1 . 1 1 78 78 CYS CB C 385 29.815 29.815 29.065 0.750 18296 385 1 . 1 1 78 78 CYS H H 385 9.855 9.855 8.574 1.281 18296 386 1 . 1 1 79 79 ASP N N 386 115.334 115.334 120.967 -5.633 18296 387 1 . 1 1 79 79 ASP HA H 386 3.946 3.946 4.467 -0.521 18296 388 1 . 1 1 79 79 ASP C C 386 175.510 175.510 177.382 -1.872 18296 389 1 . 1 1 79 79 ASP CA C 386 57.118 57.118 56.446 0.672 18296 390 1 . 1 1 79 79 ASP CB C 386 40.495 40.495 41.062 -0.567 18296 391 1 . 1 1 79 79 ASP H H 386 7.657 7.657 8.284 -0.627 18296 392 1 . 1 1 80 80 VAL N N 387 119.872 119.872 113.733 6.139 18296 393 1 . 1 1 80 80 VAL HA H 387 3.579 3.579 4.105 -0.526 18296 394 1 . 1 1 80 80 VAL C C 387 176.437 176.437 175.753 0.684 18296 395 1 . 1 1 80 80 VAL CA C 387 64.272 64.272 62.510 1.762 18296 396 1 . 1 1 80 80 VAL CB C 387 31.798 31.798 30.826 0.972 18296 397 1 . 1 1 80 80 VAL H H 387 7.601 7.601 7.448 0.153 18296 398 1 . 1 1 81 81 HIS N N 388 119.244 119.244 118.817 0.427 18296 399 1 . 1 1 81 81 HIS HA H 388 4.632 4.632 4.552 0.080 18296 400 1 . 1 1 81 81 HIS C C 388 180.644 180.644 176.289 4.355 18296 401 1 . 1 1 81 81 HIS CA C 388 56.212 56.212 58.433 -2.221 18296 402 1 . 1 1 81 81 HIS CB C 388 31.774 31.774 31.678 0.096 18296 403 1 . 1 1 81 81 HIS H H 388 7.385 7.385 7.663 -0.278 18296 404 1 . 1 1 82 82 THR N N 389 117.899 117.899 114.930 2.969 18296 405 1 . 1 1 82 82 THR HA H 389 3.733 3.733 4.393 -0.660 18296 406 1 . 1 1 82 82 THR C C 389 181.155 181.155 174.126 7.029 18296 407 1 . 1 1 82 82 THR CA C 389 61.844 61.844 64.823 -2.979 18296 408 1 . 1 1 82 82 THR CB C 389 70.285 70.285 67.407 2.878 18296 409 1 . 1 1 82 82 THR H H 389 7.133 7.133 7.820 -0.687 18296 410 1 . 1 1 83 83 PRO HA H 390 4.192 4.192 4.397 -0.205 18296 411 1 . 1 1 83 83 PRO CA C 390 61.509 61.509 64.274 -2.765 18296 412 1 . 1 1 83 83 PRO CB C 390 30.773 30.773 30.381 0.392 18296 413 1 . 1 1 84 84 PRO HA H 391 4.220 4.220 4.368 -0.148 18296 414 1 . 1 1 84 84 PRO C C 391 175.949 175.949 176.819 -0.871 18296 415 1 . 1 1 84 84 PRO CA C 391 63.032 63.032 62.904 0.128 18296 416 1 . 1 1 84 84 PRO CB C 391 31.983 31.983 32.031 -0.048 18296 417 1 . 1 1 85 85 GLY N N 392 109.626 109.626 108.434 1.192 18296 418 1 . 1 1 85 85 GLY C C 392 179.223 179.223 173.809 5.414 18296 419 1 . 1 1 85 85 GLY CA C 392 45.359 45.359 44.788 0.571 18296 420 1 . 1 1 85 85 GLY H H 392 8.367 8.367 8.117 0.250 18296 421 1 . 1 1 86 86 SER N N 393 115.675 115.675 116.398 -0.723 18296 422 1 . 1 1 86 86 SER HA H 393 4.354 4.354 4.564 -0.210 18296 423 1 . 1 1 86 86 SER C C 393 179.569 179.569 174.384 5.185 18296 424 1 . 1 1 86 86 SER CA C 393 58.521 58.521 58.473 0.048 18296 425 1 . 1 1 86 86 SER CB C 393 63.913 63.913 63.540 0.373 18296 426 1 . 1 1 86 86 SER H H 393 8.022 8.022 8.360 -0.338 18296 stop_ save_