data_17911 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17911 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 17911 _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 2 2 ARG N N 188 121.886 121.886 122.508 -0.622 17911 2 1 1 . 1 1 2 2 ARG HA H 188 4.242 4.242 3.944 0.298 17911 3 1 1 . 1 1 2 2 ARG CA C 188 56.487 56.487 59.402 -2.915 17911 4 1 1 . 1 1 2 2 ARG CB C 188 30.857 30.857 30.539 0.318 17911 5 1 1 . 1 1 2 2 ARG H H 188 8.475 8.475 8.687 -0.212 17911 6 1 1 . 1 1 3 3 GLN N N 189 121.336 121.336 117.924 3.412 17911 7 1 1 . 1 1 3 3 GLN HA H 189 4.302 4.302 4.118 0.184 17911 8 1 1 . 1 1 3 3 GLN CA C 189 56.366 56.366 59.305 -2.939 17911 9 1 1 . 1 1 3 3 GLN CB C 189 29.254 29.254 28.631 0.623 17911 10 1 1 . 1 1 3 3 GLN H H 189 8.553 8.553 8.705 -0.152 17911 11 1 1 . 1 1 4 4 THR N N 190 115.273 115.273 113.452 1.821 17911 12 1 1 . 1 1 4 4 THR HA H 190 4.275 4.275 4.109 0.166 17911 13 1 1 . 1 1 4 4 THR CA C 190 62.066 62.066 64.600 -2.534 17911 14 1 1 . 1 1 4 4 THR CB C 190 69.894 69.894 68.488 1.406 17911 15 1 1 . 1 1 4 4 THR H H 190 8.123 8.123 7.898 0.225 17911 16 1 1 . 1 1 5 5 ALA N N 191 126.029 126.029 122.627 3.402 17911 17 1 1 . 1 1 5 5 ALA HA H 191 4.247 4.247 4.234 0.013 17911 18 1 1 . 1 1 5 5 ALA CA C 191 52.537 52.537 52.241 0.296 17911 19 1 1 . 1 1 5 5 ALA CB C 191 19.183 19.183 18.910 0.273 17911 20 1 1 . 1 1 5 5 ALA H H 191 8.284 8.284 8.031 0.253 17911 21 1 1 . 1 1 6 6 GLN N N 192 119.614 119.614 114.936 4.678 17911 22 1 1 . 1 1 6 6 GLN HA H 192 4.217 4.217 3.970 0.247 17911 23 1 1 . 1 1 6 6 GLN CA C 192 55.685 55.685 56.464 -0.779 17911 24 1 1 . 1 1 6 6 GLN CB C 192 29.513 29.513 25.337 4.176 17911 25 1 1 . 1 1 6 6 GLN H H 192 8.287 8.287 7.632 0.655 17911 26 1 1 . 1 1 7 7 ALA N N 193 125.571 125.571 121.563 4.008 17911 27 1 1 . 1 1 7 7 ALA HA H 193 4.246 4.246 4.037 0.209 17911 28 1 1 . 1 1 7 7 ALA CA C 193 52.537 52.537 54.294 -1.757 17911 29 1 1 . 1 1 7 7 ALA CB C 193 19.268 19.268 18.663 0.605 17911 30 1 1 . 1 1 7 7 ALA H H 193 8.271 8.271 8.192 0.079 17911 31 1 1 . 1 1 8 8 ALA N N 194 123.461 123.461 119.455 4.006 17911 32 1 1 . 1 1 8 8 ALA HA H 194 4.250 4.250 4.078 0.172 17911 33 1 1 . 1 1 8 8 ALA CA C 194 52.593 52.593 52.120 0.473 17911 34 1 1 . 1 1 8 8 ALA CB C 194 19.324 19.324 18.827 0.497 17911 35 1 1 . 1 1 8 8 ALA H H 194 8.275 8.275 8.191 0.084 17911 36 1 1 . 1 1 9 9 GLY N N 195 108.312 108.312 106.612 1.700 17911 37 1 1 . 1 1 9 9 GLY CA C 195 45.219 45.219 45.571 -0.352 17911 38 1 1 . 1 1 9 9 GLY H H 195 8.328 8.328 8.081 0.247 17911 39 1 1 . 1 1 10 10 THR N N 196 112.710 112.710 112.434 0.276 17911 40 1 1 . 1 1 10 10 THR HA H 196 4.334 4.334 3.890 0.444 17911 41 1 1 . 1 1 10 10 THR CA C 196 61.471 61.471 63.199 -1.728 17911 42 1 1 . 1 1 10 10 THR CB C 196 69.894 69.894 67.935 1.959 17911 43 1 1 . 1 1 10 10 THR H H 196 7.998 7.998 8.183 -0.185 17911 44 1 1 . 1 1 11 11 ASP N N 197 122.862 122.862 119.042 3.820 17911 45 1 1 . 1 1 11 11 ASP HA H 197 4.609 4.609 4.217 0.392 17911 46 1 1 . 1 1 11 11 ASP CA C 197 54.262 54.262 55.267 -1.005 17911 47 1 1 . 1 1 11 11 ASP CB C 197 41.135 41.135 40.378 0.757 17911 48 1 1 . 1 1 11 11 ASP H H 197 8.404 8.404 7.998 0.406 17911 49 1 1 . 1 1 12 12 THR N N 198 114.709 114.709 112.640 2.069 17911 50 1 1 . 1 1 12 12 THR HA H 198 4.400 4.400 4.252 0.148 17911 51 1 1 . 1 1 12 12 THR CA C 198 61.223 61.223 62.859 -1.636 17911 52 1 1 . 1 1 12 12 THR CB C 198 70.490 70.490 69.246 1.244 17911 53 1 1 . 1 1 12 12 THR H H 198 7.895 7.895 7.978 -0.083 17911 54 1 1 . 1 1 13 13 THR N N 199 122.785 122.785 120.497 2.288 17911 55 1 1 . 1 1 13 13 THR HA H 199 3.961 3.961 4.179 -0.218 17911 56 1 1 . 1 1 13 13 THR CA C 199 63.286 63.286 63.878 -0.592 17911 57 1 1 . 1 1 13 13 THR CB C 199 68.958 68.958 68.843 0.115 17911 58 1 1 . 1 1 13 13 THR H H 199 8.354 8.354 8.153 0.201 17911 59 1 1 . 1 1 14 14 ILE N N 200 127.902 127.902 129.598 -1.696 17911 60 1 1 . 1 1 14 14 ILE HA H 200 3.807 3.807 4.157 -0.350 17911 61 1 1 . 1 1 14 14 ILE CA C 200 60.965 60.965 61.477 -0.512 17911 62 1 1 . 1 1 14 14 ILE CB C 200 35.860 35.860 35.748 0.112 17911 63 1 1 . 1 1 14 14 ILE H H 200 9.362 9.362 9.125 0.237 17911 64 1 1 . 1 1 15 15 THR N N 201 130.379 130.379 123.218 7.161 17911 65 1 1 . 1 1 15 15 THR HA H 201 3.521 3.521 4.021 -0.500 17911 66 1 1 . 1 1 15 15 THR CA C 201 66.637 66.637 67.409 -0.771 17911 67 1 1 . 1 1 15 15 THR CB C 201 67.411 67.411 68.460 -1.049 17911 68 1 1 . 1 1 15 15 THR H H 201 7.834 7.834 8.145 -0.311 17911 69 1 1 . 1 1 16 16 LEU N N 202 120.049 120.049 117.683 2.366 17911 70 1 1 . 1 1 16 16 LEU HA H 202 3.715 3.715 4.148 -0.433 17911 71 1 1 . 1 1 16 16 LEU CA C 202 58.387 58.387 58.310 0.076 17911 72 1 1 . 1 1 16 16 LEU CB C 202 43.148 43.148 41.165 1.983 17911 73 1 1 . 1 1 16 16 LEU H H 202 8.913 8.913 8.401 0.512 17911 74 1 1 . 1 1 17 17 ASN N N 203 117.390 117.390 118.677 -1.287 17911 75 1 1 . 1 1 17 17 ASN HA H 203 4.594 4.594 4.920 -0.326 17911 76 1 1 . 1 1 17 17 ASN CA C 203 54.520 54.520 55.063 -0.543 17911 77 1 1 . 1 1 17 17 ASN CB C 203 37.246 37.246 38.247 -1.001 17911 78 1 1 . 1 1 17 17 ASN H H 203 6.926 6.926 8.120 -1.194 17911 79 1 1 . 1 1 18 18 VAL N N 204 123.434 123.434 122.514 0.920 17911 80 1 1 . 1 1 18 18 VAL HA H 204 4.242 4.242 4.109 0.133 17911 81 1 1 . 1 1 18 18 VAL CA C 204 66.236 66.236 66.270 -0.034 17911 82 1 1 . 1 1 18 18 VAL CB C 204 31.605 31.605 31.441 0.164 17911 83 1 1 . 1 1 18 18 VAL H H 204 7.660 7.660 7.722 -0.062 17911 84 1 1 . 1 1 19 19 LEU N N 205 117.301 117.301 120.503 -3.202 17911 85 1 1 . 1 1 19 19 LEU HA H 205 3.945 3.945 3.872 0.073 17911 86 1 1 . 1 1 19 19 LEU CA C 205 58.408 58.408 58.422 -0.014 17911 87 1 1 . 1 1 19 19 LEU CB C 205 42.918 42.918 40.990 1.928 17911 88 1 1 . 1 1 19 19 LEU H H 205 8.573 8.573 8.808 -0.235 17911 89 1 1 . 1 1 20 20 ALA N N 206 120.290 120.290 122.077 -1.787 17911 90 1 1 . 1 1 20 20 ALA HA H 206 4.012 4.012 4.202 -0.190 17911 91 1 1 . 1 1 20 20 ALA CA C 206 56.195 56.195 55.430 0.765 17911 92 1 1 . 1 1 20 20 ALA CB C 206 17.911 17.911 18.307 -0.396 17911 93 1 1 . 1 1 20 20 ALA H H 206 8.188 8.188 8.388 -0.200 17911 94 1 1 . 1 1 21 21 TRP N N 207 121.219 121.219 120.871 0.348 17911 95 1 1 . 1 1 21 21 TRP HA H 207 4.110 4.110 4.174 -0.064 17911 96 1 1 . 1 1 21 21 TRP CA C 207 61.224 61.224 61.880 -0.656 17911 97 1 1 . 1 1 21 21 TRP CB C 207 28.712 28.712 29.407 -0.695 17911 98 1 1 . 1 1 21 21 TRP H H 207 8.406 8.406 8.380 0.026 17911 99 1 1 . 1 1 22 22 LEU HA H 208 3.517 3.517 3.659 -0.142 17911 100 1 1 . 1 1 22 22 LEU CA C 208 57.897 57.897 57.969 -0.072 17911 101 1 1 . 1 1 22 22 LEU CB C 208 40.880 40.880 41.323 -0.443 17911 102 1 1 . 1 1 22 22 LEU H H 208 8.620 8.620 8.815 -0.195 17911 103 1 1 . 1 1 23 23 TYR N N 209 117.656 117.656 119.186 -1.530 17911 104 1 1 . 1 1 23 23 TYR HA H 209 3.956 3.956 4.115 -0.159 17911 105 1 1 . 1 1 23 23 TYR CA C 209 64.704 64.704 61.668 3.036 17911 106 1 1 . 1 1 23 23 TYR CB C 209 38.793 38.793 37.480 1.313 17911 107 1 1 . 1 1 23 23 TYR H H 209 8.368 8.368 8.551 -0.183 17911 108 1 1 . 1 1 24 24 ALA N N 210 122.658 122.658 121.419 1.239 17911 109 1 1 . 1 1 24 24 ALA HA H 210 3.837 3.837 3.850 -0.013 17911 110 1 1 . 1 1 24 24 ALA CA C 210 55.036 55.036 54.957 0.079 17911 111 1 1 . 1 1 24 24 ALA CB C 210 17.311 17.311 17.741 -0.430 17911 112 1 1 . 1 1 24 24 ALA H H 210 8.461 8.461 8.497 -0.036 17911 113 1 1 . 1 1 25 25 ALA N N 211 123.868 123.868 121.760 2.108 17911 114 1 1 . 1 1 25 25 ALA HA H 211 3.761 3.761 3.725 0.036 17911 115 1 1 . 1 1 25 25 ALA CA C 211 55.551 55.551 54.837 0.714 17911 116 1 1 . 1 1 25 25 ALA CB C 211 17.992 17.992 18.082 -0.090 17911 117 1 1 . 1 1 25 25 ALA H H 211 8.564 8.564 7.878 0.686 17911 118 1 1 . 1 1 26 26 VAL N N 212 119.783 119.783 118.960 0.823 17911 119 1 1 . 1 1 26 26 VAL HA H 212 3.487 3.487 3.510 -0.023 17911 120 1 1 . 1 1 26 26 VAL CA C 212 66.576 66.576 66.353 0.223 17911 121 1 1 . 1 1 26 26 VAL CB C 212 31.575 31.575 31.785 -0.210 17911 122 1 1 . 1 1 26 26 VAL H H 212 8.008 8.008 8.039 -0.031 17911 123 1 1 . 1 1 27 27 ILE N N 213 124.428 124.428 117.181 7.247 17911 124 1 1 . 1 1 27 27 ILE HA H 213 3.559 3.559 3.706 -0.147 17911 125 1 1 . 1 1 27 27 ILE CA C 213 65.526 65.526 64.350 1.177 17911 126 1 1 . 1 1 27 27 ILE CB C 213 37.902 37.902 37.882 0.020 17911 127 1 1 . 1 1 27 27 ILE H H 213 8.576 8.576 8.148 0.428 17911 128 1 1 . 1 1 28 28 ASN N N 214 116.563 116.563 115.583 0.980 17911 129 1 1 . 1 1 28 28 ASN HA H 214 4.565 4.565 4.548 0.017 17911 130 1 1 . 1 1 28 28 ASN CA C 214 54.579 54.579 55.117 -0.538 17911 131 1 1 . 1 1 28 28 ASN CB C 214 40.340 40.340 40.262 0.078 17911 132 1 1 . 1 1 28 28 ASN H H 214 7.714 7.714 8.057 -0.343 17911 133 1 1 . 1 1 29 29 GLY N N 215 107.004 107.004 106.006 0.998 17911 134 1 1 . 1 1 29 29 GLY CA C 215 45.683 45.683 45.022 0.661 17911 135 1 1 . 1 1 29 29 GLY H H 215 7.861 7.861 8.386 -0.525 17911 136 1 1 . 1 1 30 30 ASP N N 216 125.780 125.780 124.455 1.325 17911 137 1 1 . 1 1 30 30 ASP HA H 216 5.019 5.019 4.625 0.394 17911 138 1 1 . 1 1 30 30 ASP CA C 216 53.643 53.643 54.842 -1.199 17911 139 1 1 . 1 1 30 30 ASP CB C 216 41.561 41.561 40.037 1.524 17911 140 1 1 . 1 1 30 30 ASP H H 216 8.560 8.560 7.877 0.683 17911 141 1 1 . 1 1 31 31 ARG N N 217 115.297 115.297 120.360 -5.063 17911 142 1 1 . 1 1 31 31 ARG HA H 217 3.711 3.711 3.243 0.468 17911 143 1 1 . 1 1 31 31 ARG CA C 217 54.520 54.520 55.087 -0.566 17911 144 1 1 . 1 1 31 31 ARG CB C 217 32.116 32.116 30.877 1.239 17911 145 1 1 . 1 1 31 31 ARG H H 217 7.984 7.984 7.323 0.661 17911 146 1 1 . 1 1 32 32 TRP N N 218 119.754 119.754 120.409 -0.655 17911 147 1 1 . 1 1 32 32 TRP HA H 218 4.120 4.120 4.316 -0.196 17911 148 1 1 . 1 1 32 32 TRP CA C 218 58.387 58.387 58.222 0.165 17911 149 1 1 . 1 1 32 32 TRP CB C 218 28.372 28.372 28.516 -0.144 17911 150 1 1 . 1 1 32 32 TRP H H 218 7.368 7.368 7.282 0.086 17911 151 1 1 . 1 1 33 33 PHE HA H 219 3.919 3.919 4.590 -0.671 17911 152 1 1 . 1 1 33 33 PHE CA C 219 55.315 55.315 56.598 -1.283 17911 153 1 1 . 1 1 33 33 PHE CB C 219 37.277 37.277 37.125 0.152 17911 154 1 1 . 1 1 34 34 LEU N N 220 122.632 122.632 121.406 1.226 17911 155 1 1 . 1 1 34 34 LEU HA H 220 3.931 3.931 4.009 -0.078 17911 156 1 1 . 1 1 34 34 LEU CA C 220 55.315 55.315 55.481 -0.166 17911 157 1 1 . 1 1 34 34 LEU CB C 220 40.790 40.790 41.675 -0.885 17911 158 1 1 . 1 1 34 34 LEU H H 220 6.447 6.447 7.095 -0.648 17911 159 1 1 . 1 1 35 35 ASN N N 221 119.503 119.503 122.035 -2.532 17911 160 1 1 . 1 1 35 35 ASN HA H 221 4.709 4.709 4.660 0.049 17911 161 1 1 . 1 1 35 35 ASN CA C 221 52.026 52.026 52.090 -0.064 17911 162 1 1 . 1 1 35 35 ASN CB C 221 40.598 40.598 41.196 -0.598 17911 163 1 1 . 1 1 35 35 ASN H H 221 8.105 8.105 8.356 -0.251 17911 164 1 1 . 1 1 36 36 ARG N N 222 116.408 116.408 119.122 -2.714 17911 165 1 1 . 1 1 36 36 ARG HA H 222 4.293 4.293 4.593 -0.300 17911 166 1 1 . 1 1 36 36 ARG CA C 222 55.600 55.600 55.584 0.015 17911 167 1 1 . 1 1 36 36 ARG CB C 222 28.997 28.997 30.084 -1.087 17911 168 1 1 . 1 1 36 36 ARG H H 222 8.099 8.099 8.128 -0.029 17911 169 1 1 . 1 1 37 37 PHE N N 223 120.398 120.398 119.980 0.418 17911 170 1 1 . 1 1 37 37 PHE HA H 223 4.813 4.813 4.526 0.287 17911 171 1 1 . 1 1 37 37 PHE CA C 223 56.081 56.081 57.284 -1.203 17911 172 1 1 . 1 1 37 37 PHE CB C 223 40.085 40.085 38.400 1.685 17911 173 1 1 . 1 1 37 37 PHE H H 223 7.842 7.842 7.410 0.432 17911 174 1 1 . 1 1 38 38 THR N N 224 112.040 112.040 113.655 -1.615 17911 175 1 1 . 1 1 38 38 THR HA H 224 4.653 4.653 4.031 0.622 17911 176 1 1 . 1 1 38 38 THR CA C 224 60.708 60.708 63.351 -2.643 17911 177 1 1 . 1 1 38 38 THR CB C 224 71.000 71.000 67.079 3.921 17911 178 1 1 . 1 1 38 38 THR H H 224 8.231 8.231 8.209 0.022 17911 179 1 1 . 1 1 39 39 THR N N 225 116.627 116.627 116.522 0.105 17911 180 1 1 . 1 1 39 39 THR HA H 225 4.925 4.925 4.158 0.767 17911 181 1 1 . 1 1 39 39 THR CA C 225 59.677 59.677 62.488 -2.811 17911 182 1 1 . 1 1 39 39 THR CB C 225 69.989 69.989 69.990 -0.001 17911 183 1 1 . 1 1 39 39 THR H H 225 8.107 8.107 7.903 0.204 17911 184 1 1 . 1 1 40 40 THR N N 226 111.263 111.263 116.524 -5.261 17911 185 1 1 . 1 1 40 40 THR HA H 226 4.727 4.727 4.391 0.336 17911 186 1 1 . 1 1 40 40 THR CA C 226 59.740 59.740 61.465 -1.725 17911 187 1 1 . 1 1 40 40 THR CB C 226 72.052 72.052 69.984 2.068 17911 188 1 1 . 1 1 40 40 THR H H 226 8.481 8.481 8.248 0.233 17911 189 1 1 . 1 1 41 41 LEU N N 227 123.989 123.989 124.536 -0.547 17911 190 1 1 . 1 1 41 41 LEU HA H 227 3.986 3.986 4.148 -0.162 17911 191 1 1 . 1 1 41 41 LEU CA C 227 58.903 58.903 58.387 0.516 17911 192 1 1 . 1 1 41 41 LEU CB C 227 41.561 41.561 42.030 -0.469 17911 193 1 1 . 1 1 41 41 LEU H H 227 9.259 9.259 8.785 0.474 17911 194 1 1 . 1 1 42 42 ASN N N 228 115.183 115.183 117.047 -1.864 17911 195 1 1 . 1 1 42 42 ASN HA H 228 4.435 4.435 4.414 0.021 17911 196 1 1 . 1 1 42 42 ASN CA C 228 56.961 56.961 57.329 -0.368 17911 197 1 1 . 1 1 42 42 ASN CB C 228 38.497 38.497 38.171 0.326 17911 198 1 1 . 1 1 42 42 ASN H H 228 8.598 8.598 8.499 0.099 17911 199 1 1 . 1 1 43 43 ASP N N 229 118.746 118.746 120.370 -1.624 17911 200 1 1 . 1 1 43 43 ASP HA H 229 4.367 4.367 4.425 -0.058 17911 201 1 1 . 1 1 43 43 ASP CA C 229 57.387 57.387 57.302 0.085 17911 202 1 1 . 1 1 43 43 ASP CB C 229 40.625 40.625 40.935 -0.310 17911 203 1 1 . 1 1 43 43 ASP H H 229 7.847 7.847 7.938 -0.091 17911 204 1 1 . 1 1 44 44 PHE N N 230 120.193 120.193 120.916 -0.723 17911 205 1 1 . 1 1 44 44 PHE HA H 230 3.808 3.808 4.091 -0.283 17911 206 1 1 . 1 1 44 44 PHE CA C 230 62.747 62.747 61.863 0.884 17911 207 1 1 . 1 1 44 44 PHE CB C 230 38.753 38.753 39.185 -0.433 17911 208 1 1 . 1 1 44 44 PHE H H 230 8.547 8.547 8.383 0.164 17911 209 1 1 . 1 1 45 45 ASN N N 231 118.852 118.852 118.294 0.558 17911 210 1 1 . 1 1 45 45 ASN HA H 231 4.472 4.472 4.253 0.219 17911 211 1 1 . 1 1 45 45 ASN CA C 231 55.344 55.344 56.129 -0.785 17911 212 1 1 . 1 1 45 45 ASN CB C 231 37.391 37.391 38.077 -0.686 17911 213 1 1 . 1 1 45 45 ASN H H 231 8.727 8.727 8.516 0.211 17911 214 1 1 . 1 1 46 46 LEU N N 232 120.221 120.221 120.698 -0.477 17911 215 1 1 . 1 1 46 46 LEU HA H 232 4.065 4.065 3.947 0.118 17911 216 1 1 . 1 1 46 46 LEU CA C 232 58.152 58.152 58.309 -0.157 17911 217 1 1 . 1 1 46 46 LEU CB C 232 42.071 42.071 41.857 0.214 17911 218 1 1 . 1 1 46 46 LEU H H 232 7.516 7.516 8.392 -0.876 17911 219 1 1 . 1 1 47 47 VAL N N 233 119.649 119.649 119.021 0.628 17911 220 1 1 . 1 1 47 47 VAL HA H 233 3.604 3.604 3.557 0.047 17911 221 1 1 . 1 1 47 47 VAL CA C 233 65.864 65.864 66.376 -0.512 17911 222 1 1 . 1 1 47 47 VAL CB C 233 31.575 31.575 31.013 0.562 17911 223 1 1 . 1 1 47 47 VAL H H 233 6.987 6.987 7.965 -0.978 17911 224 1 1 . 1 1 48 48 ALA N N 234 122.056 122.056 122.369 -0.313 17911 225 1 1 . 1 1 48 48 ALA HA H 234 3.451 3.451 3.813 -0.362 17911 226 1 1 . 1 1 48 48 ALA CA C 234 55.741 55.741 55.123 0.618 17911 227 1 1 . 1 1 48 48 ALA CB C 234 16.971 16.971 18.054 -1.083 17911 228 1 1 . 1 1 48 48 ALA H H 234 8.480 8.480 8.153 0.327 17911 229 1 1 . 1 1 49 49 MET N N 235 114.180 114.180 117.958 -3.778 17911 230 1 1 . 1 1 49 49 MET HA H 235 4.272 4.272 4.095 0.177 17911 231 1 1 . 1 1 49 49 MET CA C 235 59.003 59.003 58.929 0.074 17911 232 1 1 . 1 1 49 49 MET CB C 235 32.967 32.967 32.562 0.404 17911 233 1 1 . 1 1 49 49 MET H H 235 7.950 7.950 8.280 -0.330 17911 234 1 1 . 1 1 50 50 LYS N N 236 120.217 120.217 120.233 -0.016 17911 235 1 1 . 1 1 50 50 LYS HA H 236 3.945 3.945 3.861 0.084 17911 236 1 1 . 1 1 50 50 LYS CA C 236 58.378 58.378 58.682 -0.304 17911 237 1 1 . 1 1 50 50 LYS CB C 236 31.833 31.833 32.360 -0.527 17911 238 1 1 . 1 1 50 50 LYS H H 236 7.378 7.378 8.014 -0.636 17911 239 1 1 . 1 1 51 51 TYR N N 237 115.853 115.853 115.371 0.482 17911 240 1 1 . 1 1 51 51 TYR HA H 237 4.462 4.462 4.646 -0.184 17911 241 1 1 . 1 1 51 51 TYR CA C 237 58.293 58.293 56.688 1.605 17911 242 1 1 . 1 1 51 51 TYR CB C 237 38.668 38.668 37.966 0.702 17911 243 1 1 . 1 1 51 51 TYR H H 237 7.392 7.392 7.357 0.035 17911 244 1 1 . 1 1 52 52 ASN N N 238 115.965 115.965 116.325 -0.360 17911 245 1 1 . 1 1 52 52 ASN HA H 238 4.403 4.403 4.387 0.016 17911 246 1 1 . 1 1 52 52 ASN CA C 238 54.834 54.834 54.497 0.337 17911 247 1 1 . 1 1 52 52 ASN CB C 238 36.881 36.881 37.595 -0.714 17911 248 1 1 . 1 1 52 52 ASN H H 238 7.914 7.914 7.707 0.207 17911 249 1 1 . 1 1 53 53 TYR N N 239 120.379 120.379 118.147 2.232 17911 250 1 1 . 1 1 53 53 TYR HA H 239 4.675 4.675 4.654 0.021 17911 251 1 1 . 1 1 53 53 TYR CA C 239 57.387 57.387 57.849 -0.462 17911 252 1 1 . 1 1 53 53 TYR CB C 239 37.788 37.788 39.085 -1.297 17911 253 1 1 . 1 1 53 53 TYR H H 239 8.341 8.341 8.275 0.066 17911 254 1 1 . 1 1 54 54 GLU N N 240 122.559 122.559 122.876 -0.317 17911 255 1 1 . 1 1 54 54 GLU HA H 240 4.317 4.317 4.300 0.017 17911 256 1 1 . 1 1 54 54 GLU CA C 240 54.579 54.579 55.719 -1.140 17911 257 1 1 . 1 1 54 54 GLU CB C 240 30.802 30.802 29.618 1.184 17911 258 1 1 . 1 1 54 54 GLU H H 240 8.114 8.114 8.690 -0.576 17911 259 1 1 . 1 1 55 55 PRO HA H 241 4.314 4.314 4.430 -0.116 17911 260 1 1 . 1 1 55 55 PRO CA C 241 62.973 62.973 62.751 0.222 17911 261 1 1 . 1 1 55 55 PRO CB C 241 31.917 31.917 32.557 -0.640 17911 262 1 1 . 1 1 56 56 LEU N N 242 124.468 124.468 120.273 4.195 17911 263 1 1 . 1 1 56 56 LEU HA H 242 5.200 5.200 4.755 0.445 17911 264 1 1 . 1 1 56 56 LEU CA C 242 53.747 53.747 53.806 -0.059 17911 265 1 1 . 1 1 56 56 LEU CB C 242 45.560 45.560 46.396 -0.836 17911 266 1 1 . 1 1 56 56 LEU H H 242 9.650 9.650 9.215 0.435 17911 267 1 1 . 1 1 57 57 THR N N 243 116.700 116.700 113.259 3.441 17911 268 1 1 . 1 1 57 57 THR HA H 243 4.664 4.664 4.885 -0.221 17911 269 1 1 . 1 1 57 57 THR CA C 243 59.429 59.429 59.988 -0.559 17911 270 1 1 . 1 1 57 57 THR CB C 243 71.851 71.851 71.617 0.234 17911 271 1 1 . 1 1 57 57 THR H H 243 9.279 9.279 8.582 0.697 17911 272 1 1 . 1 1 58 58 GLN N N 244 119.764 119.764 121.174 -1.410 17911 273 1 1 . 1 1 58 58 GLN HA H 244 3.827 3.827 4.008 -0.181 17911 274 1 1 . 1 1 58 58 GLN CA C 244 58.130 58.130 59.428 -1.298 17911 275 1 1 . 1 1 58 58 GLN CB C 244 27.777 27.777 28.306 -0.529 17911 276 1 1 . 1 1 58 58 GLN H H 244 8.959 8.959 9.015 -0.056 17911 277 1 1 . 1 1 59 59 ASP N N 245 117.059 117.059 118.415 -1.356 17911 278 1 1 . 1 1 59 59 ASP HA H 245 4.325 4.325 4.361 -0.036 17911 279 1 1 . 1 1 59 59 ASP CA C 245 57.301 57.301 57.027 0.274 17911 280 1 1 . 1 1 59 59 ASP CB C 245 40.029 40.029 40.551 -0.522 17911 281 1 1 . 1 1 59 59 ASP H H 245 7.838 7.838 8.759 -0.921 17911 282 1 1 . 1 1 60 60 HIS N N 246 119.076 119.076 118.844 0.232 17911 283 1 1 . 1 1 60 60 HIS HA H 246 4.296 4.296 4.497 -0.201 17911 284 1 1 . 1 1 60 60 HIS CA C 246 58.645 58.645 59.117 -0.472 17911 285 1 1 . 1 1 60 60 HIS CB C 246 32.864 32.864 30.113 2.751 17911 286 1 1 . 1 1 60 60 HIS H H 246 7.333 7.333 7.464 -0.131 17911 287 1 1 . 1 1 61 61 VAL N N 247 118.215 118.215 120.373 -2.158 17911 288 1 1 . 1 1 61 61 VAL HA H 247 3.400 3.400 3.664 -0.264 17911 289 1 1 . 1 1 61 61 VAL CA C 247 67.257 67.257 66.754 0.503 17911 290 1 1 . 1 1 61 61 VAL CB C 247 31.010 31.010 31.272 -0.262 17911 291 1 1 . 1 1 61 61 VAL H H 247 7.565 7.565 8.502 -0.937 17911 292 1 1 . 1 1 62 62 ASP N N 248 119.651 119.651 119.853 -0.202 17911 293 1 1 . 1 1 62 62 ASP HA H 248 4.358 4.358 4.373 -0.015 17911 294 1 1 . 1 1 62 62 ASP CA C 248 57.557 57.557 57.316 0.241 17911 295 1 1 . 1 1 62 62 ASP CB C 248 40.027 40.027 41.022 -0.994 17911 296 1 1 . 1 1 62 62 ASP H H 248 8.142 8.142 8.183 -0.041 17911 297 1 1 . 1 1 63 63 ILE N N 249 123.545 123.545 118.270 5.275 17911 298 1 1 . 1 1 63 63 ILE HA H 249 3.756 3.756 3.849 -0.093 17911 299 1 1 . 1 1 63 63 ILE CA C 249 64.832 64.832 64.069 0.763 17911 300 1 1 . 1 1 63 63 ILE CB C 249 37.817 37.817 38.102 -0.285 17911 301 1 1 . 1 1 63 63 ILE H H 249 8.017 8.017 7.410 0.607 17911 302 1 1 . 1 1 64 64 LEU N N 250 117.125 117.125 117.961 -0.836 17911 303 1 1 . 1 1 64 64 LEU HA H 250 4.094 4.094 4.235 -0.141 17911 304 1 1 . 1 1 64 64 LEU CA C 250 55.004 55.004 55.474 -0.470 17911 305 1 1 . 1 1 64 64 LEU CB C 250 42.662 42.662 41.909 0.753 17911 306 1 1 . 1 1 64 64 LEU H H 250 7.217 7.217 7.727 -0.510 17911 307 1 1 . 1 1 65 65 GLY N N 251 108.388 108.388 108.812 -0.424 17911 308 1 1 . 1 1 65 65 GLY CA C 251 48.708 48.708 48.400 0.308 17911 309 1 1 . 1 1 65 65 GLY H H 251 7.794 7.794 7.889 -0.095 17911 310 1 1 . 1 1 66 66 PRO HA H 252 4.243 4.243 4.199 0.044 17911 311 1 1 . 1 1 66 66 PRO CA C 252 66.036 66.036 65.202 0.834 17911 312 1 1 . 1 1 66 66 PRO CB C 252 32.172 32.172 31.304 0.868 17911 313 1 1 . 1 1 67 67 LEU N N 253 117.852 117.852 117.633 0.219 17911 314 1 1 . 1 1 67 67 LEU HA H 253 3.866 3.866 3.788 0.078 17911 315 1 1 . 1 1 67 67 LEU CA C 253 57.301 57.301 57.323 -0.022 17911 316 1 1 . 1 1 67 67 LEU CB C 253 40.539 40.539 40.838 -0.299 17911 317 1 1 . 1 1 67 67 LEU H H 253 7.344 7.344 7.436 -0.092 17911 318 1 1 . 1 1 68 68 SER N N 254 117.191 117.191 115.892 1.299 17911 319 1 1 . 1 1 68 68 SER HA H 254 4.154 4.154 4.220 -0.066 17911 320 1 1 . 1 1 68 68 SER CA C 254 60.705 60.705 61.447 -0.742 17911 321 1 1 . 1 1 68 68 SER CB C 254 63.286 63.286 62.697 0.589 17911 322 1 1 . 1 1 68 68 SER H H 254 7.883 7.883 7.782 0.101 17911 323 1 1 . 1 1 69 69 ALA N N 255 123.895 123.895 124.126 -0.231 17911 324 1 1 . 1 1 69 69 ALA HA H 255 4.078 4.078 4.127 -0.049 17911 325 1 1 . 1 1 69 69 ALA CA C 255 54.749 54.749 54.621 0.128 17911 326 1 1 . 1 1 69 69 ALA CB C 255 17.992 17.992 18.192 -0.200 17911 327 1 1 . 1 1 69 69 ALA H H 255 8.592 8.592 7.869 0.723 17911 328 1 1 . 1 1 70 70 GLN N N 256 116.528 116.528 114.035 2.493 17911 329 1 1 . 1 1 70 70 GLN HA H 256 4.011 4.011 4.112 -0.101 17911 330 1 1 . 1 1 70 70 GLN CA C 256 58.634 58.634 57.765 0.869 17911 331 1 1 . 1 1 70 70 GLN CB C 256 28.939 28.939 29.034 -0.095 17911 332 1 1 . 1 1 70 70 GLN H H 256 7.744 7.744 7.974 -0.230 17911 333 1 1 . 1 1 71 71 THR N N 257 103.056 103.056 107.020 -3.964 17911 334 1 1 . 1 1 71 71 THR HA H 257 4.277 4.277 4.503 -0.226 17911 335 1 1 . 1 1 71 71 THR CA C 257 62.236 62.236 61.553 0.683 17911 336 1 1 . 1 1 71 71 THR CB C 257 72.277 72.277 71.696 0.581 17911 337 1 1 . 1 1 71 71 THR H H 257 7.401 7.401 7.496 -0.095 17911 338 1 1 . 1 1 72 72 GLY N N 258 111.697 111.697 111.268 0.429 17911 339 1 1 . 1 1 72 72 GLY CA C 258 45.900 45.900 45.592 0.308 17911 340 1 1 . 1 1 72 72 GLY H H 258 8.113 8.113 8.412 -0.299 17911 341 1 1 . 1 1 73 73 ILE N N 259 120.078 120.078 123.043 -2.965 17911 342 1 1 . 1 1 73 73 ILE HA H 259 4.451 4.451 4.352 0.099 17911 343 1 1 . 1 1 73 73 ILE CA C 259 58.903 58.903 58.569 0.334 17911 344 1 1 . 1 1 73 73 ILE CB C 259 38.497 38.497 36.288 2.209 17911 345 1 1 . 1 1 73 73 ILE H H 259 7.598 7.598 7.529 0.069 17911 346 1 1 . 1 1 74 74 ALA N N 260 107.454 107.454 131.242 -23.788 17911 347 1 1 . 1 1 74 74 ALA HA H 260 4.178 4.178 4.252 -0.074 17911 348 1 1 . 1 1 74 74 ALA CA C 260 52.622 52.622 52.488 0.134 17911 349 1 1 . 1 1 74 74 ALA CB C 260 18.417 18.417 19.723 -1.306 17911 350 1 1 . 1 1 74 74 ALA H H 260 9.477 9.477 8.743 0.734 17911 351 1 1 . 1 1 75 75 VAL N N 261 124.569 124.569 122.876 1.693 17911 352 1 1 . 1 1 75 75 VAL HA H 261 4.095 4.095 3.819 0.276 17911 353 1 1 . 1 1 75 75 VAL CA C 261 66.637 66.637 65.647 0.990 17911 354 1 1 . 1 1 75 75 VAL CB C 261 31.575 31.575 31.900 -0.325 17911 355 1 1 . 1 1 75 75 VAL H H 261 8.927 8.927 8.806 0.121 17911 356 1 1 . 1 1 76 76 LEU N N 262 117.285 117.285 118.435 -1.150 17911 357 1 1 . 1 1 76 76 LEU HA H 262 3.827 3.827 3.990 -0.163 17911 358 1 1 . 1 1 76 76 LEU CA C 262 58.067 58.067 57.073 0.994 17911 359 1 1 . 1 1 76 76 LEU CB C 262 39.774 39.774 40.891 -1.117 17911 360 1 1 . 1 1 76 76 LEU H H 262 8.949 8.949 8.036 0.913 17911 361 1 1 . 1 1 77 77 ASP N N 263 120.854 120.854 120.996 -0.142 17911 362 1 1 . 1 1 77 77 ASP HA H 263 4.639 4.639 4.477 0.162 17911 363 1 1 . 1 1 77 77 ASP CA C 263 57.131 57.131 57.118 0.013 17911 364 1 1 . 1 1 77 77 ASP CB C 263 39.178 39.178 40.589 -1.411 17911 365 1 1 . 1 1 77 77 ASP H H 263 7.011 7.011 8.027 -1.016 17911 366 1 1 . 1 1 78 78 MET N N 264 124.661 124.661 121.182 3.479 17911 367 1 1 . 1 1 78 78 MET HA H 264 4.343 4.343 4.111 0.232 17911 368 1 1 . 1 1 78 78 MET CA C 264 57.131 57.131 57.840 -0.709 17911 369 1 1 . 1 1 78 78 MET CB C 264 31.172 31.172 31.799 -0.627 17911 370 1 1 . 1 1 78 78 MET H H 264 8.025 8.025 8.182 -0.157 17911 371 1 1 . 1 1 79 79 CYS N N 265 117.740 117.740 118.202 -0.462 17911 372 1 1 . 1 1 79 79 CYS HA H 265 3.534 3.534 3.681 -0.147 17911 373 1 1 . 1 1 79 79 CYS CA C 265 64.317 64.317 63.606 0.711 17911 374 1 1 . 1 1 79 79 CYS CB C 265 25.564 25.564 25.945 -0.381 17911 375 1 1 . 1 1 79 79 CYS H H 265 8.703 8.703 8.503 0.200 17911 376 1 1 . 1 1 80 80 ALA N N 266 123.346 123.346 122.524 0.822 17911 377 1 1 . 1 1 80 80 ALA HA H 266 3.884 3.884 4.073 -0.189 17911 378 1 1 . 1 1 80 80 ALA CA C 266 55.174 55.174 55.308 -0.134 17911 379 1 1 . 1 1 80 80 ALA CB C 266 17.911 17.911 18.059 -0.148 17911 380 1 1 . 1 1 80 80 ALA H H 266 7.745 7.745 7.774 -0.029 17911 381 1 1 . 1 1 81 81 ALA N N 267 122.668 122.668 122.182 0.486 17911 382 1 1 . 1 1 81 81 ALA HA H 267 4.236 4.236 4.136 0.100 17911 383 1 1 . 1 1 81 81 ALA CA C 267 54.778 54.778 55.029 -0.251 17911 384 1 1 . 1 1 81 81 ALA CB C 267 18.247 18.247 18.593 -0.346 17911 385 1 1 . 1 1 81 81 ALA H H 267 7.513 7.513 8.335 -0.822 17911 386 1 1 . 1 1 82 82 LEU N N 268 119.844 119.844 120.358 -0.514 17911 387 1 1 . 1 1 82 82 LEU HA H 268 3.924 3.924 3.950 -0.026 17911 388 1 1 . 1 1 82 82 LEU CA C 268 57.613 57.613 57.661 -0.048 17911 389 1 1 . 1 1 82 82 LEU CB C 268 40.681 40.681 41.397 -0.716 17911 390 1 1 . 1 1 82 82 LEU H H 268 8.304 8.304 8.408 -0.104 17911 391 1 1 . 1 1 83 83 LYS N N 269 119.140 119.140 119.769 -0.629 17911 392 1 1 . 1 1 83 83 LYS HA H 269 3.629 3.629 3.898 -0.269 17911 393 1 1 . 1 1 83 83 LYS CA C 269 60.279 60.279 60.266 0.013 17911 394 1 1 . 1 1 83 83 LYS CB C 269 33.052 33.052 32.466 0.586 17911 395 1 1 . 1 1 83 83 LYS H H 269 8.881 8.881 8.599 0.282 17911 396 1 1 . 1 1 84 84 GLU N N 270 116.647 116.647 119.146 -2.499 17911 397 1 1 . 1 1 84 84 GLU HA H 270 4.085 4.085 4.168 -0.083 17911 398 1 1 . 1 1 84 84 GLU CA C 270 58.903 58.903 58.622 0.281 17911 399 1 1 . 1 1 84 84 GLU CB C 270 29.223 29.223 29.496 -0.273 17911 400 1 1 . 1 1 84 84 GLU H H 270 7.107 7.107 8.089 -0.982 17911 401 1 1 . 1 1 85 85 LEU N N 271 120.657 120.657 121.160 -0.503 17911 402 1 1 . 1 1 85 85 LEU HA H 271 3.992 3.992 4.016 -0.024 17911 403 1 1 . 1 1 85 85 LEU CA C 271 57.872 57.872 57.960 -0.088 17911 404 1 1 . 1 1 85 85 LEU CB C 271 42.326 42.326 41.722 0.604 17911 405 1 1 . 1 1 85 85 LEU H H 271 7.757 7.757 8.360 -0.603 17911 406 1 1 . 1 1 86 86 LEU N N 272 119.651 119.651 119.319 0.332 17911 407 1 1 . 1 1 86 86 LEU HA H 272 3.535 3.535 3.501 0.034 17911 408 1 1 . 1 1 86 86 LEU CA C 272 57.356 57.356 57.243 0.113 17911 409 1 1 . 1 1 86 86 LEU CB C 272 40.880 40.880 41.294 -0.414 17911 410 1 1 . 1 1 86 86 LEU H H 272 8.336 8.336 8.445 -0.109 17911 411 1 1 . 1 1 87 87 GLN N N 273 113.087 113.087 114.852 -1.765 17911 412 1 1 . 1 1 87 87 GLN HA H 273 4.099 4.099 3.994 0.105 17911 413 1 1 . 1 1 87 87 GLN CA C 273 58.387 58.387 58.044 0.343 17911 414 1 1 . 1 1 87 87 GLN CB C 273 30.159 30.159 29.380 0.779 17911 415 1 1 . 1 1 87 87 GLN H H 273 7.422 7.422 7.728 -0.306 17911 416 1 1 . 1 1 88 88 ASN N N 274 113.925 113.925 114.188 -0.263 17911 417 1 1 . 1 1 88 88 ASN HA H 274 4.921 4.921 4.819 0.102 17911 418 1 1 . 1 1 88 88 ASN CA C 274 53.747 53.747 52.962 0.785 17911 419 1 1 . 1 1 88 88 ASN CB C 274 40.625 40.625 42.016 -1.391 17911 420 1 1 . 1 1 88 88 ASN H H 274 8.388 8.388 7.740 0.648 17911 421 1 1 . 1 1 89 89 GLY N N 275 109.040 109.040 109.699 -0.659 17911 422 1 1 . 1 1 89 89 GLY CA C 275 44.709 44.709 44.996 -0.287 17911 423 1 1 . 1 1 89 89 GLY H H 275 7.698 7.698 8.251 -0.553 17911 424 1 1 . 1 1 90 90 MET N N 276 115.183 115.183 119.621 -4.438 17911 425 1 1 . 1 1 90 90 MET HA H 276 4.434 4.434 4.678 -0.244 17911 426 1 1 . 1 1 90 90 MET CA C 276 56.791 56.791 55.414 1.377 17911 427 1 1 . 1 1 90 90 MET CB C 276 33.637 33.637 32.801 0.836 17911 428 1 1 . 1 1 90 90 MET H H 276 8.599 8.599 8.734 -0.135 17911 429 1 1 . 1 1 91 91 ASN N N 277 118.020 118.020 119.532 -1.512 17911 430 1 1 . 1 1 91 91 ASN HA H 277 4.301 4.301 4.494 -0.193 17911 431 1 1 . 1 1 91 91 ASN CA C 277 53.983 53.983 55.539 -1.556 17911 432 1 1 . 1 1 91 91 ASN CB C 277 37.987 37.987 38.099 -0.112 17911 433 1 1 . 1 1 91 91 ASN H H 277 9.033 9.033 8.478 0.555 17911 434 1 1 . 1 1 92 92 GLY N N 278 104.906 104.906 105.343 -0.437 17911 435 1 1 . 1 1 92 92 GLY CA C 278 45.645 45.645 44.998 0.647 17911 436 1 1 . 1 1 92 92 GLY H H 278 8.538 8.538 8.491 0.047 17911 437 1 1 . 1 1 93 93 ARG N N 279 120.056 120.056 119.199 0.857 17911 438 1 1 . 1 1 93 93 ARG HA H 279 4.237 4.237 4.624 -0.387 17911 439 1 1 . 1 1 93 93 ARG CA C 279 55.344 55.344 53.477 1.867 17911 440 1 1 . 1 1 93 93 ARG CB C 279 31.491 31.491 33.394 -1.903 17911 441 1 1 . 1 1 93 93 ARG H H 279 7.257 7.257 7.961 -0.704 17911 442 1 1 . 1 1 94 94 THR N N 280 106.223 106.223 111.394 -5.171 17911 443 1 1 . 1 1 94 94 THR HA H 280 5.028 5.028 5.348 -0.320 17911 444 1 1 . 1 1 94 94 THR CA C 280 59.684 59.684 61.045 -1.361 17911 445 1 1 . 1 1 94 94 THR CB C 280 72.787 72.787 71.936 0.852 17911 446 1 1 . 1 1 94 94 THR H H 280 7.726 7.726 8.266 -0.540 17911 447 1 1 . 1 1 95 95 ILE N N 281 121.214 121.214 121.629 -0.415 17911 448 1 1 . 1 1 95 95 ILE HA H 281 4.301 4.301 4.836 -0.535 17911 449 1 1 . 1 1 95 95 ILE CA C 281 62.066 62.066 60.616 1.450 17911 450 1 1 . 1 1 95 95 ILE CB C 281 40.539 40.539 41.325 -0.785 17911 451 1 1 . 1 1 95 95 ILE H H 281 8.761 8.761 9.078 -0.317 17911 452 1 1 . 1 1 96 96 LEU N N 282 128.347 128.347 125.913 2.434 17911 453 1 1 . 1 1 96 96 LEU HA H 282 3.850 3.850 3.924 -0.074 17911 454 1 1 . 1 1 96 96 LEU CA C 282 55.344 55.344 55.813 -0.469 17911 455 1 1 . 1 1 96 96 LEU CB C 282 40.539 40.539 39.539 1.000 17911 456 1 1 . 1 1 96 96 LEU H H 282 9.905 9.905 9.638 0.267 17911 457 1 1 . 1 1 97 97 GLY N N 283 103.322 103.322 103.340 -0.018 17911 458 1 1 . 1 1 97 97 GLY CA C 283 45.645 45.645 44.810 0.835 17911 459 1 1 . 1 1 97 97 GLY H H 283 8.937 8.937 8.584 0.353 17911 460 1 1 . 1 1 98 98 SER N N 284 116.619 116.619 115.515 1.104 17911 461 1 1 . 1 1 98 98 SER HA H 284 4.950 4.950 4.972 -0.022 17911 462 1 1 . 1 1 98 98 SER CA C 284 56.961 56.961 55.953 1.008 17911 463 1 1 . 1 1 98 98 SER CB C 284 65.044 65.044 64.684 0.360 17911 464 1 1 . 1 1 98 98 SER H H 284 8.612 8.612 8.029 0.583 17911 465 1 1 . 1 1 99 99 THR N N 285 114.513 114.513 117.239 -2.726 17911 466 1 1 . 1 1 99 99 THR HA H 285 4.598 4.598 4.667 -0.069 17911 467 1 1 . 1 1 99 99 THR CA C 285 61.739 61.739 62.743 -1.004 17911 468 1 1 . 1 1 99 99 THR CB C 285 69.214 69.214 68.947 0.267 17911 469 1 1 . 1 1 99 99 THR H H 285 8.601 8.601 8.734 -0.133 17911 470 1 1 . 1 1 100 100 ILE N N 286 117.511 117.511 116.832 0.679 17911 471 1 1 . 1 1 100 100 ILE HA H 286 4.496 4.496 4.732 -0.236 17911 472 1 1 . 1 1 100 100 ILE CA C 286 59.173 59.173 59.914 -0.741 17911 473 1 1 . 1 1 100 100 ILE CB C 286 41.887 41.887 41.069 0.819 17911 474 1 1 . 1 1 100 100 ILE H H 286 7.931 7.931 7.486 0.445 17911 475 1 1 . 1 1 101 101 LEU N N 287 121.101 121.101 116.625 4.476 17911 476 1 1 . 1 1 101 101 LEU HA H 287 4.157 4.157 4.283 -0.126 17911 477 1 1 . 1 1 101 101 LEU CA C 287 54.520 54.520 53.380 1.140 17911 478 1 1 . 1 1 101 101 LEU CB C 287 40.083 40.083 44.386 -4.303 17911 479 1 1 . 1 1 101 101 LEU H H 287 8.025 8.025 7.920 0.105 17911 480 1 1 . 1 1 102 102 GLU HA H 288 3.720 3.720 4.301 -0.581 17911 481 1 1 . 1 1 102 102 GLU CA C 288 55.770 55.770 54.556 1.214 17911 482 1 1 . 1 1 102 102 GLU CB C 288 29.904 29.904 32.716 -2.812 17911 483 1 1 . 1 1 103 103 ASP N N 289 121.287 121.287 117.002 4.285 17911 484 1 1 . 1 1 103 103 ASP HA H 289 4.513 4.513 4.678 -0.165 17911 485 1 1 . 1 1 103 103 ASP CA C 289 52.281 52.281 53.455 -1.174 17911 486 1 1 . 1 1 103 103 ASP CB C 289 42.922 42.922 40.983 1.939 17911 487 1 1 . 1 1 103 103 ASP H H 289 8.014 8.014 8.585 -0.571 17911 488 1 1 . 1 1 104 104 GLU N N 290 118.245 118.245 118.959 -0.714 17911 489 1 1 . 1 1 104 104 GLU HA H 290 3.904 3.904 4.118 -0.214 17911 490 1 1 . 1 1 104 104 GLU CA C 290 57.614 57.614 58.092 -0.478 17911 491 1 1 . 1 1 104 104 GLU CB C 290 30.499 30.499 29.544 0.955 17911 492 1 1 . 1 1 104 104 GLU H H 290 7.432 7.432 8.765 -1.333 17911 493 1 1 . 1 1 105 105 PHE N N 291 120.606 120.606 118.672 1.934 17911 494 1 1 . 1 1 105 105 PHE HA H 291 4.838 4.838 4.687 0.151 17911 495 1 1 . 1 1 105 105 PHE CA C 291 56.536 56.536 57.012 -0.476 17911 496 1 1 . 1 1 105 105 PHE CB C 291 39.774 39.774 38.488 1.286 17911 497 1 1 . 1 1 105 105 PHE H H 291 8.835 8.835 7.863 0.972 17911 498 1 1 . 1 1 106 106 THR N N 292 111.349 111.349 118.758 -7.409 17911 499 1 1 . 1 1 106 106 THR HA H 292 4.670 4.670 4.521 0.149 17911 500 1 1 . 1 1 106 106 THR CA C 292 59.344 59.344 60.395 -1.052 17911 501 1 1 . 1 1 106 106 THR CB C 292 69.299 69.299 69.449 -0.150 17911 502 1 1 . 1 1 106 106 THR H H 292 8.757 8.757 8.023 0.734 17911 503 1 1 . 1 1 107 107 PRO HA H 293 3.988 3.988 4.344 -0.356 17911 504 1 1 . 1 1 107 107 PRO CA C 293 65.606 65.606 64.938 0.668 17911 505 1 1 . 1 1 107 107 PRO CB C 293 31.321 31.321 31.411 -0.090 17911 506 1 1 . 1 1 108 108 PHE N N 294 114.627 114.627 113.535 1.092 17911 507 1 1 . 1 1 108 108 PHE HA H 294 4.201 4.201 4.383 -0.182 17911 508 1 1 . 1 1 108 108 PHE CA C 294 59.676 59.676 57.654 2.022 17911 509 1 1 . 1 1 108 108 PHE CB C 294 38.582 38.582 37.357 1.225 17911 510 1 1 . 1 1 108 108 PHE H H 294 7.310 7.310 7.468 -0.158 17911 511 1 1 . 1 1 109 109 ASP N N 295 120.210 120.210 118.795 1.415 17911 512 1 1 . 1 1 109 109 ASP HA H 295 4.404 4.404 4.931 -0.527 17911 513 1 1 . 1 1 109 109 ASP CA C 295 57.098 57.098 54.699 2.399 17911 514 1 1 . 1 1 109 109 ASP CB C 295 41.475 41.475 42.054 -0.579 17911 515 1 1 . 1 1 109 109 ASP H H 295 7.837 7.837 7.850 -0.013 17911 516 1 1 . 1 1 110 110 VAL N N 296 119.070 119.070 118.191 0.879 17911 517 1 1 . 1 1 110 110 VAL HA H 296 3.602 3.602 4.119 -0.517 17911 518 1 1 . 1 1 110 110 VAL CA C 296 66.491 66.491 63.690 2.801 17911 519 1 1 . 1 1 110 110 VAL CB C 296 31.605 31.605 33.061 -1.456 17911 520 1 1 . 1 1 110 110 VAL H H 296 7.945 7.945 7.938 0.007 17911 521 1 1 . 1 1 111 111 VAL N N 297 119.540 119.540 119.191 0.349 17911 522 1 1 . 1 1 111 111 VAL HA H 297 3.601 3.601 3.711 -0.110 17911 523 1 1 . 1 1 111 111 VAL CA C 297 66.379 66.379 65.492 0.887 17911 524 1 1 . 1 1 111 111 VAL CB C 297 31.605 31.605 31.491 0.114 17911 525 1 1 . 1 1 111 111 VAL H H 297 8.109 8.109 8.294 -0.185 17911 526 1 1 . 1 1 112 112 ARG N N 298 119.680 119.680 116.910 2.770 17911 527 1 1 . 1 1 112 112 ARG HA H 298 4.010 4.010 4.216 -0.206 17911 528 1 1 . 1 1 112 112 ARG CA C 298 58.634 58.634 56.783 1.851 17911 529 1 1 . 1 1 112 112 ARG CB C 298 30.028 30.028 30.063 -0.035 17911 530 1 1 . 1 1 112 112 ARG H H 298 7.710 7.710 8.149 -0.439 17911 531 1 1 . 1 1 113 113 GLN N N 299 117.786 117.786 117.000 0.786 17911 532 1 1 . 1 1 113 113 GLN HA H 299 4.158 4.158 4.350 -0.192 17911 533 1 1 . 1 1 113 113 GLN CA C 299 57.557 57.557 55.148 2.409 17911 534 1 1 . 1 1 113 113 GLN CB C 299 29.308 29.308 30.344 -1.036 17911 535 1 1 . 1 1 113 113 GLN H H 299 8.033 8.033 7.536 0.497 17911 536 1 1 . 1 1 114 114 CYS N N 300 115.786 115.786 120.595 -4.809 17911 537 1 1 . 1 1 114 114 CYS HA H 300 4.470 4.470 4.372 0.098 17911 538 1 1 . 1 1 114 114 CYS CA C 300 59.934 59.934 58.534 1.400 17911 539 1 1 . 1 1 114 114 CYS CB C 300 28.293 28.293 29.420 -1.127 17911 540 1 1 . 1 1 114 114 CYS H H 300 8.071 8.071 8.540 -0.469 17911 541 1 1 . 1 1 115 115 SER N N 301 116.258 116.258 113.772 2.486 17911 542 1 1 . 1 1 115 115 SER HA H 301 4.407 4.407 4.667 -0.260 17911 543 1 1 . 1 1 115 115 SER CA C 301 59.485 59.485 57.831 1.654 17911 544 1 1 . 1 1 115 115 SER CB C 301 63.286 63.286 64.670 -1.384 17911 545 1 1 . 1 1 115 115 SER H H 301 7.883 7.883 7.734 0.149 17911 546 1 1 . 1 1 116 116 GLY N N 302 110.709 110.709 108.174 2.535 17911 547 1 1 . 1 1 116 116 GLY CA C 302 45.239 45.239 46.165 -0.926 17911 548 1 1 . 1 1 116 116 GLY H H 302 8.355 8.355 8.551 -0.196 17911 549 1 1 . 1 1 117 117 VAL N N 303 119.189 119.189 112.413 6.776 17911 550 1 1 . 1 1 117 117 VAL HA H 303 4.057 4.057 4.647 -0.590 17911 551 1 1 . 1 1 117 117 VAL CA C 303 62.236 62.236 62.578 -0.342 17911 552 1 1 . 1 1 117 117 VAL CB C 303 32.626 32.626 33.021 -0.395 17911 553 1 1 . 1 1 117 117 VAL H H 303 7.710 7.710 7.522 0.188 17911 554 1 1 . 1 1 118 118 THR N N 304 118.009 118.009 119.777 -1.768 17911 555 1 1 . 1 1 118 118 THR HA H 304 4.279 4.279 4.281 -0.002 17911 556 1 1 . 1 1 118 118 THR CA C 304 61.556 61.556 62.745 -1.189 17911 557 1 1 . 1 1 118 118 THR CB C 304 69.894 69.894 67.414 2.480 17911 558 1 1 . 1 1 118 118 THR H H 304 8.109 8.109 7.758 0.351 17911 559 1 1 . 1 1 119 119 PHE N N 305 123.287 123.287 121.624 1.663 17911 560 1 1 . 1 1 119 119 PHE HA H 305 4.605 4.605 4.354 0.251 17911 561 1 1 . 1 1 119 119 PHE CA C 305 57.727 57.727 59.829 -2.102 17911 562 1 1 . 1 1 119 119 PHE CB C 305 39.859 39.859 39.518 0.341 17911 563 1 1 . 1 1 119 119 PHE H H 305 8.298 8.298 7.710 0.588 17911 564 1 2 . 1 1 2 2 ARG N N 188 121.886 121.886 119.293 2.593 17911 565 1 2 . 1 1 2 2 ARG HA H 188 4.242 4.242 4.475 -0.233 17911 566 1 2 . 1 1 2 2 ARG CA C 188 56.487 56.487 55.660 0.827 17911 567 1 2 . 1 1 2 2 ARG CB C 188 30.857 30.857 29.869 0.988 17911 568 1 2 . 1 1 2 2 ARG H H 188 8.475 8.475 8.366 0.109 17911 569 1 2 . 1 1 3 3 GLN N N 189 121.336 121.336 117.875 3.461 17911 570 1 2 . 1 1 3 3 GLN HA H 189 4.302 4.302 4.115 0.187 17911 571 1 2 . 1 1 3 3 GLN CA C 189 56.366 56.366 56.607 -0.241 17911 572 1 2 . 1 1 3 3 GLN CB C 189 29.254 29.254 27.415 1.839 17911 573 1 2 . 1 1 3 3 GLN H H 189 8.553 8.553 8.255 0.298 17911 574 1 2 . 1 1 4 4 THR N N 190 115.273 115.273 111.606 3.667 17911 575 1 2 . 1 1 4 4 THR HA H 190 4.275 4.275 4.258 0.017 17911 576 1 2 . 1 1 4 4 THR CA C 190 62.066 62.066 63.363 -1.297 17911 577 1 2 . 1 1 4 4 THR CB C 190 69.894 69.894 67.416 2.478 17911 578 1 2 . 1 1 4 4 THR H H 190 8.123 8.123 8.352 -0.229 17911 579 1 2 . 1 1 5 5 ALA N N 191 126.029 126.029 125.196 0.833 17911 580 1 2 . 1 1 5 5 ALA HA H 191 4.247 4.247 4.386 -0.139 17911 581 1 2 . 1 1 5 5 ALA CA C 191 52.537 52.537 52.079 0.458 17911 582 1 2 . 1 1 5 5 ALA CB C 191 19.183 19.183 20.953 -1.770 17911 583 1 2 . 1 1 5 5 ALA H H 191 8.284 8.284 7.743 0.541 17911 584 1 2 . 1 1 6 6 GLN N N 192 119.614 119.614 116.667 2.947 17911 585 1 2 . 1 1 6 6 GLN HA H 192 4.217 4.217 3.922 0.295 17911 586 1 2 . 1 1 6 6 GLN CA C 192 55.685 55.685 56.406 -0.721 17911 587 1 2 . 1 1 6 6 GLN CB C 192 29.513 29.513 26.814 2.699 17911 588 1 2 . 1 1 6 6 GLN H H 192 8.287 8.287 8.116 0.171 17911 589 1 2 . 1 1 7 7 ALA N N 193 125.571 125.571 120.354 5.217 17911 590 1 2 . 1 1 7 7 ALA HA H 193 4.246 4.246 3.900 0.346 17911 591 1 2 . 1 1 7 7 ALA CA C 193 52.537 52.537 53.596 -1.059 17911 592 1 2 . 1 1 7 7 ALA CB C 193 19.268 19.268 18.632 0.636 17911 593 1 2 . 1 1 7 7 ALA H H 193 8.271 8.271 8.312 -0.041 17911 594 1 2 . 1 1 8 8 ALA N N 194 123.461 123.461 117.587 5.874 17911 595 1 2 . 1 1 8 8 ALA HA H 194 4.250 4.250 5.060 -0.810 17911 596 1 2 . 1 1 8 8 ALA CA C 194 52.593 52.593 50.725 1.868 17911 597 1 2 . 1 1 8 8 ALA CB C 194 19.324 19.324 20.946 -1.622 17911 598 1 2 . 1 1 8 8 ALA H H 194 8.275 8.275 7.403 0.872 17911 599 1 2 . 1 1 9 9 GLY N N 195 108.312 108.312 111.957 -3.645 17911 600 1 2 . 1 1 9 9 GLY CA C 195 45.219 45.219 46.276 -1.057 17911 601 1 2 . 1 1 9 9 GLY H H 195 8.328 8.328 9.604 -1.276 17911 602 1 2 . 1 1 10 10 THR N N 196 112.710 112.710 111.501 1.209 17911 603 1 2 . 1 1 10 10 THR HA H 196 4.334 4.334 4.145 0.189 17911 604 1 2 . 1 1 10 10 THR CA C 196 61.471 61.471 64.094 -2.623 17911 605 1 2 . 1 1 10 10 THR CB C 196 69.894 69.894 68.019 1.875 17911 606 1 2 . 1 1 10 10 THR H H 196 7.998 7.998 8.064 -0.066 17911 607 1 2 . 1 1 11 11 ASP N N 197 122.862 122.862 125.031 -2.169 17911 608 1 2 . 1 1 11 11 ASP HA H 197 4.609 4.609 4.558 0.051 17911 609 1 2 . 1 1 11 11 ASP CA C 197 54.262 54.262 54.668 -0.406 17911 610 1 2 . 1 1 11 11 ASP CB C 197 41.135 41.135 40.374 0.761 17911 611 1 2 . 1 1 11 11 ASP H H 197 8.404 8.404 8.106 0.298 17911 612 1 2 . 1 1 12 12 THR N N 198 114.709 114.709 117.655 -2.946 17911 613 1 2 . 1 1 12 12 THR HA H 198 4.400 4.400 4.124 0.276 17911 614 1 2 . 1 1 12 12 THR CA C 198 61.223 61.223 62.062 -0.839 17911 615 1 2 . 1 1 12 12 THR CB C 198 70.490 70.490 67.993 2.497 17911 616 1 2 . 1 1 12 12 THR H H 198 7.895 7.895 8.242 -0.347 17911 617 1 2 . 1 1 13 13 THR N N 199 122.785 122.785 121.034 1.751 17911 618 1 2 . 1 1 13 13 THR HA H 199 3.961 3.961 3.781 0.180 17911 619 1 2 . 1 1 13 13 THR CA C 199 63.286 63.286 64.224 -0.938 17911 620 1 2 . 1 1 13 13 THR CB C 199 68.958 68.958 68.075 0.883 17911 621 1 2 . 1 1 13 13 THR H H 199 8.354 8.354 7.995 0.359 17911 622 1 2 . 1 1 14 14 ILE N N 200 127.902 127.902 129.527 -1.625 17911 623 1 2 . 1 1 14 14 ILE HA H 200 3.807 3.807 3.996 -0.189 17911 624 1 2 . 1 1 14 14 ILE CA C 200 60.965 60.965 61.938 -0.973 17911 625 1 2 . 1 1 14 14 ILE CB C 200 35.860 35.860 35.700 0.160 17911 626 1 2 . 1 1 14 14 ILE H H 200 9.362 9.362 9.289 0.073 17911 627 1 2 . 1 1 15 15 THR N N 201 130.379 130.379 124.075 6.304 17911 628 1 2 . 1 1 15 15 THR HA H 201 3.521 3.521 4.052 -0.531 17911 629 1 2 . 1 1 15 15 THR CA C 201 66.637 66.637 66.855 -0.218 17911 630 1 2 . 1 1 15 15 THR CB C 201 67.411 67.411 68.596 -1.185 17911 631 1 2 . 1 1 15 15 THR H H 201 7.834 7.834 8.422 -0.588 17911 632 1 2 . 1 1 16 16 LEU N N 202 120.049 120.049 121.653 -1.604 17911 633 1 2 . 1 1 16 16 LEU HA H 202 3.715 3.715 4.113 -0.398 17911 634 1 2 . 1 1 16 16 LEU CA C 202 58.387 58.387 58.573 -0.186 17911 635 1 2 . 1 1 16 16 LEU CB C 202 43.148 43.148 41.668 1.480 17911 636 1 2 . 1 1 16 16 LEU H H 202 8.913 8.913 8.244 0.669 17911 637 1 2 . 1 1 17 17 ASN N N 203 117.390 117.390 117.931 -0.541 17911 638 1 2 . 1 1 17 17 ASN HA H 203 4.594 4.594 4.782 -0.188 17911 639 1 2 . 1 1 17 17 ASN CA C 203 54.520 54.520 55.455 -0.935 17911 640 1 2 . 1 1 17 17 ASN CB C 203 37.246 37.246 38.162 -0.916 17911 641 1 2 . 1 1 17 17 ASN H H 203 6.926 6.926 8.017 -1.091 17911 642 1 2 . 1 1 18 18 VAL N N 204 123.434 123.434 121.999 1.435 17911 643 1 2 . 1 1 18 18 VAL HA H 204 4.242 4.242 4.047 0.195 17911 644 1 2 . 1 1 18 18 VAL CA C 204 66.236 66.236 66.567 -0.331 17911 645 1 2 . 1 1 18 18 VAL CB C 204 31.605 31.605 31.326 0.279 17911 646 1 2 . 1 1 18 18 VAL H H 204 7.660 7.660 8.397 -0.737 17911 647 1 2 . 1 1 19 19 LEU N N 205 117.301 117.301 119.840 -2.539 17911 648 1 2 . 1 1 19 19 LEU HA H 205 3.945 3.945 3.964 -0.019 17911 649 1 2 . 1 1 19 19 LEU CA C 205 58.408 58.408 58.145 0.263 17911 650 1 2 . 1 1 19 19 LEU CB C 205 42.918 42.918 41.118 1.800 17911 651 1 2 . 1 1 19 19 LEU H H 205 8.573 8.573 8.643 -0.070 17911 652 1 2 . 1 1 20 20 ALA N N 206 120.290 120.290 122.531 -2.241 17911 653 1 2 . 1 1 20 20 ALA HA H 206 4.012 4.012 4.296 -0.284 17911 654 1 2 . 1 1 20 20 ALA CA C 206 56.195 56.195 55.234 0.961 17911 655 1 2 . 1 1 20 20 ALA CB C 206 17.911 17.911 18.339 -0.428 17911 656 1 2 . 1 1 20 20 ALA H H 206 8.188 8.188 7.823 0.365 17911 657 1 2 . 1 1 21 21 TRP N N 207 121.219 121.219 121.319 -0.100 17911 658 1 2 . 1 1 21 21 TRP HA H 207 4.110 4.110 4.208 -0.098 17911 659 1 2 . 1 1 21 21 TRP CA C 207 61.224 61.224 62.603 -1.379 17911 660 1 2 . 1 1 21 21 TRP CB C 207 28.712 28.712 29.479 -0.767 17911 661 1 2 . 1 1 21 21 TRP H H 207 8.406 8.406 8.662 -0.256 17911 662 1 2 . 1 1 22 22 LEU HA H 208 3.517 3.517 3.685 -0.168 17911 663 1 2 . 1 1 22 22 LEU CA C 208 57.897 57.897 57.953 -0.056 17911 664 1 2 . 1 1 22 22 LEU CB C 208 40.880 40.880 41.380 -0.500 17911 665 1 2 . 1 1 22 22 LEU H H 208 8.620 8.620 8.688 -0.068 17911 666 1 2 . 1 1 23 23 TYR N N 209 117.656 117.656 119.222 -1.566 17911 667 1 2 . 1 1 23 23 TYR HA H 209 3.956 3.956 4.126 -0.170 17911 668 1 2 . 1 1 23 23 TYR CA C 209 64.704 64.704 61.561 3.143 17911 669 1 2 . 1 1 23 23 TYR CB C 209 38.793 38.793 37.498 1.295 17911 670 1 2 . 1 1 23 23 TYR H H 209 8.368 8.368 8.353 0.015 17911 671 1 2 . 1 1 24 24 ALA N N 210 122.658 122.658 121.404 1.254 17911 672 1 2 . 1 1 24 24 ALA HA H 210 3.837 3.837 3.806 0.031 17911 673 1 2 . 1 1 24 24 ALA CA C 210 55.036 55.036 54.852 0.184 17911 674 1 2 . 1 1 24 24 ALA CB C 210 17.311 17.311 17.846 -0.535 17911 675 1 2 . 1 1 24 24 ALA H H 210 8.461 8.461 8.531 -0.070 17911 676 1 2 . 1 1 25 25 ALA N N 211 123.868 123.868 121.414 2.454 17911 677 1 2 . 1 1 25 25 ALA HA H 211 3.761 3.761 3.746 0.015 17911 678 1 2 . 1 1 25 25 ALA CA C 211 55.551 55.551 54.772 0.779 17911 679 1 2 . 1 1 25 25 ALA CB C 211 17.992 17.992 18.284 -0.292 17911 680 1 2 . 1 1 25 25 ALA H H 211 8.564 8.564 7.814 0.750 17911 681 1 2 . 1 1 26 26 VAL N N 212 119.783 119.783 118.815 0.968 17911 682 1 2 . 1 1 26 26 VAL HA H 212 3.487 3.487 3.646 -0.159 17911 683 1 2 . 1 1 26 26 VAL CA C 212 66.576 66.576 66.355 0.221 17911 684 1 2 . 1 1 26 26 VAL CB C 212 31.575 31.575 31.165 0.410 17911 685 1 2 . 1 1 26 26 VAL H H 212 8.008 8.008 8.054 -0.046 17911 686 1 2 . 1 1 27 27 ILE N N 213 124.428 124.428 118.002 6.426 17911 687 1 2 . 1 1 27 27 ILE HA H 213 3.559 3.559 3.736 -0.177 17911 688 1 2 . 1 1 27 27 ILE CA C 213 65.526 65.526 64.296 1.230 17911 689 1 2 . 1 1 27 27 ILE CB C 213 37.902 37.902 37.858 0.045 17911 690 1 2 . 1 1 27 27 ILE H H 213 8.576 8.576 8.254 0.322 17911 691 1 2 . 1 1 28 28 ASN N N 214 116.563 116.563 116.161 0.402 17911 692 1 2 . 1 1 28 28 ASN HA H 214 4.565 4.565 4.606 -0.041 17911 693 1 2 . 1 1 28 28 ASN CA C 214 54.579 54.579 54.793 -0.214 17911 694 1 2 . 1 1 28 28 ASN CB C 214 40.340 40.340 40.413 -0.073 17911 695 1 2 . 1 1 28 28 ASN H H 214 7.714 7.714 7.951 -0.237 17911 696 1 2 . 1 1 29 29 GLY N N 215 107.004 107.004 106.409 0.595 17911 697 1 2 . 1 1 29 29 GLY CA C 215 45.683 45.683 45.008 0.675 17911 698 1 2 . 1 1 29 29 GLY H H 215 7.861 7.861 8.379 -0.518 17911 699 1 2 . 1 1 30 30 ASP N N 216 125.780 125.780 124.494 1.286 17911 700 1 2 . 1 1 30 30 ASP HA H 216 5.019 5.019 4.620 0.399 17911 701 1 2 . 1 1 30 30 ASP CA C 216 53.643 53.643 55.308 -1.665 17911 702 1 2 . 1 1 30 30 ASP CB C 216 41.561 41.561 39.806 1.756 17911 703 1 2 . 1 1 30 30 ASP H H 216 8.560 8.560 7.869 0.691 17911 704 1 2 . 1 1 31 31 ARG N N 217 115.297 115.297 120.796 -5.499 17911 705 1 2 . 1 1 31 31 ARG HA H 217 3.711 3.711 3.459 0.252 17911 706 1 2 . 1 1 31 31 ARG CA C 217 54.520 54.520 55.049 -0.529 17911 707 1 2 . 1 1 31 31 ARG CB C 217 32.116 32.116 30.958 1.158 17911 708 1 2 . 1 1 31 31 ARG H H 217 7.984 7.984 7.544 0.440 17911 709 1 2 . 1 1 32 32 TRP N N 218 119.754 119.754 119.804 -0.050 17911 710 1 2 . 1 1 32 32 TRP HA H 218 4.120 4.120 4.318 -0.198 17911 711 1 2 . 1 1 32 32 TRP CA C 218 58.387 58.387 57.440 0.947 17911 712 1 2 . 1 1 32 32 TRP CB C 218 28.372 28.372 28.482 -0.110 17911 713 1 2 . 1 1 32 32 TRP H H 218 7.368 7.368 7.523 -0.155 17911 714 1 2 . 1 1 33 33 PHE HA H 219 3.919 3.919 4.653 -0.734 17911 715 1 2 . 1 1 33 33 PHE CA C 219 55.315 55.315 55.282 0.033 17911 716 1 2 . 1 1 33 33 PHE CB C 219 37.277 37.277 37.783 -0.506 17911 717 1 2 . 1 1 34 34 LEU N N 220 122.632 122.632 123.699 -1.067 17911 718 1 2 . 1 1 34 34 LEU HA H 220 3.931 3.931 4.097 -0.166 17911 719 1 2 . 1 1 34 34 LEU CA C 220 55.315 55.315 54.517 0.798 17911 720 1 2 . 1 1 34 34 LEU CB C 220 40.790 40.790 40.148 0.642 17911 721 1 2 . 1 1 34 34 LEU H H 220 6.447 6.447 7.030 -0.583 17911 722 1 2 . 1 1 35 35 ASN N N 221 119.503 119.503 125.420 -5.917 17911 723 1 2 . 1 1 35 35 ASN HA H 221 4.709 4.709 4.513 0.196 17911 724 1 2 . 1 1 35 35 ASN CA C 221 52.026 52.026 52.812 -0.786 17911 725 1 2 . 1 1 35 35 ASN CB C 221 40.598 40.598 39.008 1.589 17911 726 1 2 . 1 1 35 35 ASN H H 221 8.105 8.105 8.065 0.040 17911 727 1 2 . 1 1 36 36 ARG N N 222 116.408 116.408 117.581 -1.173 17911 728 1 2 . 1 1 36 36 ARG HA H 222 4.293 4.293 4.348 -0.055 17911 729 1 2 . 1 1 36 36 ARG CA C 222 55.600 55.600 55.513 0.087 17911 730 1 2 . 1 1 36 36 ARG CB C 222 28.997 28.997 31.027 -2.030 17911 731 1 2 . 1 1 36 36 ARG H H 222 8.099 8.099 7.450 0.649 17911 732 1 2 . 1 1 37 37 PHE N N 223 120.398 120.398 119.587 0.811 17911 733 1 2 . 1 1 37 37 PHE HA H 223 4.813 4.813 4.764 0.049 17911 734 1 2 . 1 1 37 37 PHE CA C 223 56.081 56.081 55.999 0.082 17911 735 1 2 . 1 1 37 37 PHE CB C 223 40.085 40.085 40.388 -0.303 17911 736 1 2 . 1 1 37 37 PHE H H 223 7.842 7.842 7.967 -0.125 17911 737 1 2 . 1 1 38 38 THR N N 224 112.040 112.040 121.840 -9.800 17911 738 1 2 . 1 1 38 38 THR HA H 224 4.653 4.653 4.257 0.396 17911 739 1 2 . 1 1 38 38 THR CA C 224 60.708 60.708 63.588 -2.880 17911 740 1 2 . 1 1 38 38 THR CB C 224 71.000 71.000 69.436 1.564 17911 741 1 2 . 1 1 38 38 THR H H 224 8.231 8.231 8.619 -0.388 17911 742 1 2 . 1 1 39 39 THR N N 225 116.627 116.627 121.215 -4.588 17911 743 1 2 . 1 1 39 39 THR HA H 225 4.925 4.925 4.536 0.389 17911 744 1 2 . 1 1 39 39 THR CA C 225 59.677 59.677 60.569 -0.892 17911 745 1 2 . 1 1 39 39 THR CB C 225 69.989 69.989 70.407 -0.418 17911 746 1 2 . 1 1 39 39 THR H H 225 8.107 8.107 8.348 -0.241 17911 747 1 2 . 1 1 40 40 THR N N 226 111.263 111.263 116.300 -5.037 17911 748 1 2 . 1 1 40 40 THR HA H 226 4.727 4.727 4.370 0.357 17911 749 1 2 . 1 1 40 40 THR CA C 226 59.740 59.740 61.884 -2.144 17911 750 1 2 . 1 1 40 40 THR CB C 226 72.052 72.052 70.128 1.924 17911 751 1 2 . 1 1 40 40 THR H H 226 8.481 8.481 8.365 0.116 17911 752 1 2 . 1 1 41 41 LEU N N 227 123.989 123.989 125.958 -1.969 17911 753 1 2 . 1 1 41 41 LEU HA H 227 3.986 3.986 4.229 -0.243 17911 754 1 2 . 1 1 41 41 LEU CA C 227 58.903 58.903 58.587 0.316 17911 755 1 2 . 1 1 41 41 LEU CB C 227 41.561 41.561 42.208 -0.647 17911 756 1 2 . 1 1 41 41 LEU H H 227 9.259 9.259 8.797 0.462 17911 757 1 2 . 1 1 42 42 ASN N N 228 115.183 115.183 116.962 -1.779 17911 758 1 2 . 1 1 42 42 ASN HA H 228 4.435 4.435 4.393 0.042 17911 759 1 2 . 1 1 42 42 ASN CA C 228 56.961 56.961 57.141 -0.180 17911 760 1 2 . 1 1 42 42 ASN CB C 228 38.497 38.497 38.140 0.357 17911 761 1 2 . 1 1 42 42 ASN H H 228 8.598 8.598 8.442 0.156 17911 762 1 2 . 1 1 43 43 ASP N N 229 118.746 118.746 120.167 -1.421 17911 763 1 2 . 1 1 43 43 ASP HA H 229 4.367 4.367 4.481 -0.114 17911 764 1 2 . 1 1 43 43 ASP CA C 229 57.387 57.387 56.736 0.651 17911 765 1 2 . 1 1 43 43 ASP CB C 229 40.625 40.625 40.814 -0.189 17911 766 1 2 . 1 1 43 43 ASP H H 229 7.847 7.847 7.931 -0.084 17911 767 1 2 . 1 1 44 44 PHE N N 230 120.193 120.193 121.333 -1.140 17911 768 1 2 . 1 1 44 44 PHE HA H 230 3.808 3.808 4.118 -0.310 17911 769 1 2 . 1 1 44 44 PHE CA C 230 62.747 62.747 60.799 1.948 17911 770 1 2 . 1 1 44 44 PHE CB C 230 38.753 38.753 38.971 -0.218 17911 771 1 2 . 1 1 44 44 PHE H H 230 8.547 8.547 8.241 0.306 17911 772 1 2 . 1 1 45 45 ASN N N 231 118.852 118.852 118.209 0.643 17911 773 1 2 . 1 1 45 45 ASN HA H 231 4.472 4.472 4.178 0.294 17911 774 1 2 . 1 1 45 45 ASN CA C 231 55.344 55.344 55.983 -0.639 17911 775 1 2 . 1 1 45 45 ASN CB C 231 37.391 37.391 37.949 -0.558 17911 776 1 2 . 1 1 45 45 ASN H H 231 8.727 8.727 8.491 0.236 17911 777 1 2 . 1 1 46 46 LEU N N 232 120.221 120.221 120.823 -0.602 17911 778 1 2 . 1 1 46 46 LEU HA H 232 4.065 4.065 3.987 0.078 17911 779 1 2 . 1 1 46 46 LEU CA C 232 58.152 58.152 58.165 -0.013 17911 780 1 2 . 1 1 46 46 LEU CB C 232 42.071 42.071 41.790 0.281 17911 781 1 2 . 1 1 46 46 LEU H H 232 7.516 7.516 8.203 -0.687 17911 782 1 2 . 1 1 47 47 VAL N N 233 119.649 119.649 118.498 1.151 17911 783 1 2 . 1 1 47 47 VAL HA H 233 3.604 3.604 3.683 -0.079 17911 784 1 2 . 1 1 47 47 VAL CA C 233 65.864 65.864 65.620 0.244 17911 785 1 2 . 1 1 47 47 VAL CB C 233 31.575 31.575 30.970 0.605 17911 786 1 2 . 1 1 47 47 VAL H H 233 6.987 6.987 8.080 -1.093 17911 787 1 2 . 1 1 48 48 ALA N N 234 122.056 122.056 122.695 -0.639 17911 788 1 2 . 1 1 48 48 ALA HA H 234 3.451 3.451 3.913 -0.462 17911 789 1 2 . 1 1 48 48 ALA CA C 234 55.741 55.741 55.182 0.559 17911 790 1 2 . 1 1 48 48 ALA CB C 234 16.971 16.971 18.145 -1.174 17911 791 1 2 . 1 1 48 48 ALA H H 234 8.480 8.480 8.280 0.200 17911 792 1 2 . 1 1 49 49 MET N N 235 114.180 114.180 117.936 -3.756 17911 793 1 2 . 1 1 49 49 MET HA H 235 4.272 4.272 4.109 0.163 17911 794 1 2 . 1 1 49 49 MET CA C 235 59.003 59.003 58.937 0.066 17911 795 1 2 . 1 1 49 49 MET CB C 235 32.967 32.967 32.652 0.315 17911 796 1 2 . 1 1 49 49 MET H H 235 7.950 7.950 8.176 -0.226 17911 797 1 2 . 1 1 50 50 LYS N N 236 120.217 120.217 120.237 -0.020 17911 798 1 2 . 1 1 50 50 LYS HA H 236 3.945 3.945 3.894 0.051 17911 799 1 2 . 1 1 50 50 LYS CA C 236 58.378 58.378 58.707 -0.329 17911 800 1 2 . 1 1 50 50 LYS CB C 236 31.833 31.833 32.445 -0.612 17911 801 1 2 . 1 1 50 50 LYS H H 236 7.378 7.378 8.153 -0.775 17911 802 1 2 . 1 1 51 51 TYR N N 237 115.853 115.853 114.691 1.162 17911 803 1 2 . 1 1 51 51 TYR HA H 237 4.462 4.462 4.654 -0.192 17911 804 1 2 . 1 1 51 51 TYR CA C 237 58.293 58.293 56.857 1.436 17911 805 1 2 . 1 1 51 51 TYR CB C 237 38.668 38.668 38.406 0.262 17911 806 1 2 . 1 1 51 51 TYR H H 237 7.392 7.392 7.387 0.005 17911 807 1 2 . 1 1 52 52 ASN N N 238 115.965 115.965 117.610 -1.645 17911 808 1 2 . 1 1 52 52 ASN HA H 238 4.403 4.403 4.448 -0.045 17911 809 1 2 . 1 1 52 52 ASN CA C 238 54.834 54.834 54.359 0.475 17911 810 1 2 . 1 1 52 52 ASN CB C 238 36.881 36.881 37.394 -0.513 17911 811 1 2 . 1 1 52 52 ASN H H 238 7.914 7.914 7.769 0.145 17911 812 1 2 . 1 1 53 53 TYR N N 239 120.379 120.379 116.871 3.508 17911 813 1 2 . 1 1 53 53 TYR HA H 239 4.675 4.675 5.026 -0.351 17911 814 1 2 . 1 1 53 53 TYR CA C 239 57.387 57.387 56.033 1.354 17911 815 1 2 . 1 1 53 53 TYR CB C 239 37.788 37.788 42.158 -4.370 17911 816 1 2 . 1 1 53 53 TYR H H 239 8.341 8.341 8.164 0.177 17911 817 1 2 . 1 1 54 54 GLU N N 240 122.559 122.559 121.963 0.596 17911 818 1 2 . 1 1 54 54 GLU HA H 240 4.317 4.317 4.288 0.029 17911 819 1 2 . 1 1 54 54 GLU CA C 240 54.579 54.579 55.261 -0.682 17911 820 1 2 . 1 1 54 54 GLU CB C 240 30.802 30.802 29.731 1.071 17911 821 1 2 . 1 1 54 54 GLU H H 240 8.114 8.114 8.541 -0.427 17911 822 1 2 . 1 1 55 55 PRO HA H 241 4.314 4.314 4.181 0.133 17911 823 1 2 . 1 1 55 55 PRO CA C 241 62.973 62.973 62.688 0.285 17911 824 1 2 . 1 1 55 55 PRO CB C 241 31.917 31.917 31.591 0.326 17911 825 1 2 . 1 1 56 56 LEU N N 242 124.468 124.468 126.860 -2.392 17911 826 1 2 . 1 1 56 56 LEU HA H 242 5.200 5.200 4.466 0.734 17911 827 1 2 . 1 1 56 56 LEU CA C 242 53.747 53.747 55.048 -1.301 17911 828 1 2 . 1 1 56 56 LEU CB C 242 45.560 45.560 43.964 1.596 17911 829 1 2 . 1 1 56 56 LEU H H 242 9.650 9.650 8.572 1.078 17911 830 1 2 . 1 1 57 57 THR N N 243 116.700 116.700 113.973 2.727 17911 831 1 2 . 1 1 57 57 THR HA H 243 4.664 4.664 4.632 0.032 17911 832 1 2 . 1 1 57 57 THR CA C 243 59.429 59.429 59.895 -0.466 17911 833 1 2 . 1 1 57 57 THR CB C 243 71.851 71.851 71.869 -0.018 17911 834 1 2 . 1 1 57 57 THR H H 243 9.279 9.279 8.406 0.873 17911 835 1 2 . 1 1 58 58 GLN N N 244 119.764 119.764 120.982 -1.218 17911 836 1 2 . 1 1 58 58 GLN HA H 244 3.827 3.827 4.086 -0.259 17911 837 1 2 . 1 1 58 58 GLN CA C 244 58.130 58.130 59.629 -1.499 17911 838 1 2 . 1 1 58 58 GLN CB C 244 27.777 27.777 27.878 -0.101 17911 839 1 2 . 1 1 58 58 GLN H H 244 8.959 8.959 8.870 0.089 17911 840 1 2 . 1 1 59 59 ASP N N 245 117.059 117.059 116.268 0.791 17911 841 1 2 . 1 1 59 59 ASP HA H 245 4.325 4.325 4.252 0.073 17911 842 1 2 . 1 1 59 59 ASP CA C 245 57.301 57.301 57.193 0.108 17911 843 1 2 . 1 1 59 59 ASP CB C 245 40.029 40.029 39.471 0.558 17911 844 1 2 . 1 1 59 59 ASP H H 245 7.838 7.838 8.885 -1.047 17911 845 1 2 . 1 1 60 60 HIS N N 246 119.076 119.076 119.514 -0.438 17911 846 1 2 . 1 1 60 60 HIS HA H 246 4.296 4.296 4.427 -0.131 17911 847 1 2 . 1 1 60 60 HIS CA C 246 58.645 58.645 58.243 0.402 17911 848 1 2 . 1 1 60 60 HIS CB C 246 32.864 32.864 29.947 2.917 17911 849 1 2 . 1 1 60 60 HIS H H 246 7.333 7.333 7.379 -0.046 17911 850 1 2 . 1 1 61 61 VAL N N 247 118.215 118.215 119.021 -0.806 17911 851 1 2 . 1 1 61 61 VAL HA H 247 3.400 3.400 3.786 -0.386 17911 852 1 2 . 1 1 61 61 VAL CA C 247 67.257 67.257 66.128 1.129 17911 853 1 2 . 1 1 61 61 VAL CB C 247 31.010 31.010 31.480 -0.469 17911 854 1 2 . 1 1 61 61 VAL H H 247 7.565 7.565 8.115 -0.550 17911 855 1 2 . 1 1 62 62 ASP N N 248 119.651 119.651 120.820 -1.169 17911 856 1 2 . 1 1 62 62 ASP HA H 248 4.358 4.358 4.403 -0.045 17911 857 1 2 . 1 1 62 62 ASP CA C 248 57.557 57.557 57.407 0.150 17911 858 1 2 . 1 1 62 62 ASP CB C 248 40.027 40.027 40.812 -0.785 17911 859 1 2 . 1 1 62 62 ASP H H 248 8.142 8.142 8.126 0.016 17911 860 1 2 . 1 1 63 63 ILE N N 249 123.545 123.545 119.606 3.939 17911 861 1 2 . 1 1 63 63 ILE HA H 249 3.756 3.756 3.694 0.062 17911 862 1 2 . 1 1 63 63 ILE CA C 249 64.832 64.832 64.091 0.741 17911 863 1 2 . 1 1 63 63 ILE CB C 249 37.817 37.817 37.877 -0.060 17911 864 1 2 . 1 1 63 63 ILE H H 249 8.017 8.017 7.454 0.563 17911 865 1 2 . 1 1 64 64 LEU N N 250 117.125 117.125 117.186 -0.061 17911 866 1 2 . 1 1 64 64 LEU HA H 250 4.094 4.094 4.350 -0.256 17911 867 1 2 . 1 1 64 64 LEU CA C 250 55.004 55.004 54.606 0.398 17911 868 1 2 . 1 1 64 64 LEU CB C 250 42.662 42.662 41.497 1.165 17911 869 1 2 . 1 1 64 64 LEU H H 250 7.217 7.217 7.863 -0.646 17911 870 1 2 . 1 1 65 65 GLY N N 251 108.388 108.388 109.651 -1.263 17911 871 1 2 . 1 1 65 65 GLY CA C 251 48.708 48.708 48.531 0.177 17911 872 1 2 . 1 1 65 65 GLY H H 251 7.794 7.794 8.411 -0.617 17911 873 1 2 . 1 1 66 66 PRO HA H 252 4.243 4.243 4.116 0.127 17911 874 1 2 . 1 1 66 66 PRO CA C 252 66.036 66.036 65.393 0.643 17911 875 1 2 . 1 1 66 66 PRO CB C 252 32.172 32.172 31.272 0.900 17911 876 1 2 . 1 1 67 67 LEU N N 253 117.852 117.852 116.376 1.476 17911 877 1 2 . 1 1 67 67 LEU HA H 253 3.866 3.866 3.801 0.065 17911 878 1 2 . 1 1 67 67 LEU CA C 253 57.301 57.301 57.044 0.257 17911 879 1 2 . 1 1 67 67 LEU CB C 253 40.539 40.539 41.257 -0.718 17911 880 1 2 . 1 1 67 67 LEU H H 253 7.344 7.344 6.988 0.356 17911 881 1 2 . 1 1 68 68 SER N N 254 117.191 117.191 116.040 1.151 17911 882 1 2 . 1 1 68 68 SER HA H 254 4.154 4.154 4.164 -0.010 17911 883 1 2 . 1 1 68 68 SER CA C 254 60.705 60.705 61.362 -0.657 17911 884 1 2 . 1 1 68 68 SER CB C 254 63.286 63.286 62.768 0.518 17911 885 1 2 . 1 1 68 68 SER H H 254 7.883 7.883 8.111 -0.228 17911 886 1 2 . 1 1 69 69 ALA N N 255 123.895 123.895 123.245 0.650 17911 887 1 2 . 1 1 69 69 ALA HA H 255 4.078 4.078 4.126 -0.048 17911 888 1 2 . 1 1 69 69 ALA CA C 255 54.749 54.749 54.539 0.210 17911 889 1 2 . 1 1 69 69 ALA CB C 255 17.992 17.992 18.247 -0.255 17911 890 1 2 . 1 1 69 69 ALA H H 255 8.592 8.592 7.670 0.922 17911 891 1 2 . 1 1 70 70 GLN N N 256 116.528 116.528 114.444 2.084 17911 892 1 2 . 1 1 70 70 GLN HA H 256 4.011 4.011 4.318 -0.307 17911 893 1 2 . 1 1 70 70 GLN CA C 256 58.634 58.634 57.217 1.417 17911 894 1 2 . 1 1 70 70 GLN CB C 256 28.939 28.939 28.934 0.005 17911 895 1 2 . 1 1 70 70 GLN H H 256 7.744 7.744 7.598 0.146 17911 896 1 2 . 1 1 71 71 THR N N 257 103.056 103.056 107.588 -4.532 17911 897 1 2 . 1 1 71 71 THR HA H 257 4.277 4.277 4.602 -0.325 17911 898 1 2 . 1 1 71 71 THR CA C 257 62.236 62.236 61.679 0.556 17911 899 1 2 . 1 1 71 71 THR CB C 257 72.277 72.277 71.815 0.462 17911 900 1 2 . 1 1 71 71 THR H H 257 7.401 7.401 7.785 -0.384 17911 901 1 2 . 1 1 72 72 GLY N N 258 111.697 111.697 111.585 0.112 17911 902 1 2 . 1 1 72 72 GLY CA C 258 45.900 45.900 46.033 -0.133 17911 903 1 2 . 1 1 72 72 GLY H H 258 8.113 8.113 8.174 -0.061 17911 904 1 2 . 1 1 73 73 ILE N N 259 120.078 120.078 124.866 -4.788 17911 905 1 2 . 1 1 73 73 ILE HA H 259 4.451 4.451 4.053 0.398 17911 906 1 2 . 1 1 73 73 ILE CA C 259 58.903 58.903 59.535 -0.632 17911 907 1 2 . 1 1 73 73 ILE CB C 259 38.497 38.497 35.630 2.868 17911 908 1 2 . 1 1 73 73 ILE H H 259 7.598 7.598 7.534 0.064 17911 909 1 2 . 1 1 74 74 ALA N N 260 107.454 107.454 132.329 -24.875 17911 910 1 2 . 1 1 74 74 ALA HA H 260 4.178 4.178 4.231 -0.053 17911 911 1 2 . 1 1 74 74 ALA CA C 260 52.622 52.622 52.410 0.212 17911 912 1 2 . 1 1 74 74 ALA CB C 260 18.417 18.417 19.494 -1.077 17911 913 1 2 . 1 1 74 74 ALA H H 260 9.477 9.477 8.353 1.124 17911 914 1 2 . 1 1 75 75 VAL N N 261 124.569 124.569 122.730 1.839 17911 915 1 2 . 1 1 75 75 VAL HA H 261 4.095 4.095 3.919 0.176 17911 916 1 2 . 1 1 75 75 VAL CA C 261 66.637 66.637 65.928 0.709 17911 917 1 2 . 1 1 75 75 VAL CB C 261 31.575 31.575 31.489 0.086 17911 918 1 2 . 1 1 75 75 VAL H H 261 8.927 8.927 8.752 0.175 17911 919 1 2 . 1 1 76 76 LEU N N 262 117.285 117.285 119.398 -2.113 17911 920 1 2 . 1 1 76 76 LEU HA H 262 3.827 3.827 3.957 -0.130 17911 921 1 2 . 1 1 76 76 LEU CA C 262 58.067 58.067 57.523 0.544 17911 922 1 2 . 1 1 76 76 LEU CB C 262 39.774 39.774 41.102 -1.328 17911 923 1 2 . 1 1 76 76 LEU H H 262 8.949 8.949 8.076 0.873 17911 924 1 2 . 1 1 77 77 ASP N N 263 120.854 120.854 120.530 0.324 17911 925 1 2 . 1 1 77 77 ASP HA H 263 4.639 4.639 4.583 0.056 17911 926 1 2 . 1 1 77 77 ASP CA C 263 57.131 57.131 57.690 -0.559 17911 927 1 2 . 1 1 77 77 ASP CB C 263 39.178 39.178 40.704 -1.526 17911 928 1 2 . 1 1 77 77 ASP H H 263 7.011 7.011 7.956 -0.945 17911 929 1 2 . 1 1 78 78 MET N N 264 124.661 124.661 120.854 3.807 17911 930 1 2 . 1 1 78 78 MET HA H 264 4.343 4.343 4.080 0.263 17911 931 1 2 . 1 1 78 78 MET CA C 264 57.131 57.131 57.913 -0.782 17911 932 1 2 . 1 1 78 78 MET CB C 264 31.172 31.172 31.940 -0.768 17911 933 1 2 . 1 1 78 78 MET H H 264 8.025 8.025 7.854 0.171 17911 934 1 2 . 1 1 79 79 CYS N N 265 117.740 117.740 117.645 0.095 17911 935 1 2 . 1 1 79 79 CYS HA H 265 3.534 3.534 3.375 0.159 17911 936 1 2 . 1 1 79 79 CYS CA C 265 64.317 64.317 63.424 0.893 17911 937 1 2 . 1 1 79 79 CYS CB C 265 25.564 25.564 26.509 -0.945 17911 938 1 2 . 1 1 79 79 CYS H H 265 8.703 8.703 8.441 0.262 17911 939 1 2 . 1 1 80 80 ALA N N 266 123.346 123.346 121.637 1.709 17911 940 1 2 . 1 1 80 80 ALA HA H 266 3.884 3.884 3.926 -0.042 17911 941 1 2 . 1 1 80 80 ALA CA C 266 55.174 55.174 54.657 0.517 17911 942 1 2 . 1 1 80 80 ALA CB C 266 17.911 17.911 18.042 -0.131 17911 943 1 2 . 1 1 80 80 ALA H H 266 7.745 7.745 7.616 0.129 17911 944 1 2 . 1 1 81 81 ALA N N 267 122.668 122.668 122.572 0.096 17911 945 1 2 . 1 1 81 81 ALA HA H 267 4.236 4.236 4.105 0.131 17911 946 1 2 . 1 1 81 81 ALA CA C 267 54.778 54.778 54.896 -0.118 17911 947 1 2 . 1 1 81 81 ALA CB C 267 18.247 18.247 18.590 -0.343 17911 948 1 2 . 1 1 81 81 ALA H H 267 7.513 7.513 8.251 -0.738 17911 949 1 2 . 1 1 82 82 LEU N N 268 119.844 119.844 120.624 -0.780 17911 950 1 2 . 1 1 82 82 LEU HA H 268 3.924 3.924 3.919 0.005 17911 951 1 2 . 1 1 82 82 LEU CA C 268 57.613 57.613 57.717 -0.103 17911 952 1 2 . 1 1 82 82 LEU CB C 268 40.681 40.681 41.395 -0.714 17911 953 1 2 . 1 1 82 82 LEU H H 268 8.304 8.304 8.435 -0.131 17911 954 1 2 . 1 1 83 83 LYS N N 269 119.140 119.140 118.521 0.619 17911 955 1 2 . 1 1 83 83 LYS HA H 269 3.629 3.629 3.973 -0.344 17911 956 1 2 . 1 1 83 83 LYS CA C 269 60.279 60.279 59.637 0.642 17911 957 1 2 . 1 1 83 83 LYS CB C 269 33.052 33.052 32.352 0.700 17911 958 1 2 . 1 1 83 83 LYS H H 269 8.881 8.881 8.056 0.825 17911 959 1 2 . 1 1 84 84 GLU N N 270 116.647 116.647 118.395 -1.748 17911 960 1 2 . 1 1 84 84 GLU HA H 270 4.085 4.085 4.207 -0.122 17911 961 1 2 . 1 1 84 84 GLU CA C 270 58.903 58.903 58.582 0.321 17911 962 1 2 . 1 1 84 84 GLU CB C 270 29.223 29.223 29.945 -0.722 17911 963 1 2 . 1 1 84 84 GLU H H 270 7.107 7.107 7.836 -0.729 17911 964 1 2 . 1 1 85 85 LEU N N 271 120.657 120.657 120.656 0.001 17911 965 1 2 . 1 1 85 85 LEU HA H 271 3.992 3.992 4.061 -0.069 17911 966 1 2 . 1 1 85 85 LEU CA C 271 57.872 57.872 57.673 0.199 17911 967 1 2 . 1 1 85 85 LEU CB C 271 42.326 42.326 41.756 0.570 17911 968 1 2 . 1 1 85 85 LEU H H 271 7.757 7.757 7.934 -0.177 17911 969 1 2 . 1 1 86 86 LEU N N 272 119.651 119.651 114.993 4.658 17911 970 1 2 . 1 1 86 86 LEU HA H 272 3.535 3.535 3.798 -0.263 17911 971 1 2 . 1 1 86 86 LEU CA C 272 57.356 57.356 56.385 0.971 17911 972 1 2 . 1 1 86 86 LEU CB C 272 40.880 40.880 41.379 -0.499 17911 973 1 2 . 1 1 86 86 LEU H H 272 8.336 8.336 8.214 0.122 17911 974 1 2 . 1 1 87 87 GLN N N 273 113.087 113.087 115.237 -2.150 17911 975 1 2 . 1 1 87 87 GLN HA H 273 4.099 4.099 4.156 -0.057 17911 976 1 2 . 1 1 87 87 GLN CA C 273 58.387 58.387 56.688 1.699 17911 977 1 2 . 1 1 87 87 GLN CB C 273 30.159 30.159 30.968 -0.809 17911 978 1 2 . 1 1 87 87 GLN H H 273 7.422 7.422 7.738 -0.316 17911 979 1 2 . 1 1 88 88 ASN N N 274 113.925 113.925 115.814 -1.889 17911 980 1 2 . 1 1 88 88 ASN HA H 274 4.921 4.921 4.917 0.004 17911 981 1 2 . 1 1 88 88 ASN CA C 274 53.747 53.747 52.887 0.860 17911 982 1 2 . 1 1 88 88 ASN CB C 274 40.625 40.625 41.148 -0.523 17911 983 1 2 . 1 1 88 88 ASN H H 274 8.388 8.388 8.422 -0.034 17911 984 1 2 . 1 1 89 89 GLY N N 275 109.040 109.040 108.882 0.158 17911 985 1 2 . 1 1 89 89 GLY CA C 275 44.709 44.709 45.228 -0.519 17911 986 1 2 . 1 1 89 89 GLY H H 275 7.698 7.698 7.634 0.064 17911 987 1 2 . 1 1 90 90 MET N N 276 115.183 115.183 117.079 -1.896 17911 988 1 2 . 1 1 90 90 MET HA H 276 4.434 4.434 4.784 -0.350 17911 989 1 2 . 1 1 90 90 MET CA C 276 56.791 56.791 54.065 2.726 17911 990 1 2 . 1 1 90 90 MET CB C 276 33.637 33.637 32.314 1.323 17911 991 1 2 . 1 1 90 90 MET H H 276 8.599 8.599 8.333 0.266 17911 992 1 2 . 1 1 91 91 ASN N N 277 118.020 118.020 122.001 -3.981 17911 993 1 2 . 1 1 91 91 ASN HA H 277 4.301 4.301 4.494 -0.193 17911 994 1 2 . 1 1 91 91 ASN CA C 277 53.983 53.983 54.843 -0.860 17911 995 1 2 . 1 1 91 91 ASN CB C 277 37.987 37.987 38.622 -0.635 17911 996 1 2 . 1 1 91 91 ASN H H 277 9.033 9.033 8.258 0.775 17911 997 1 2 . 1 1 92 92 GLY N N 278 104.906 104.906 110.806 -5.900 17911 998 1 2 . 1 1 92 92 GLY CA C 278 45.645 45.645 45.445 0.200 17911 999 1 2 . 1 1 92 92 GLY H H 278 8.538 8.538 8.756 -0.218 17911 1000 1 2 . 1 1 93 93 ARG N N 279 120.056 120.056 118.836 1.220 17911 1001 1 2 . 1 1 93 93 ARG HA H 279 4.237 4.237 4.736 -0.499 17911 1002 1 2 . 1 1 93 93 ARG CA C 279 55.344 55.344 54.209 1.135 17911 1003 1 2 . 1 1 93 93 ARG CB C 279 31.491 31.491 33.191 -1.700 17911 1004 1 2 . 1 1 93 93 ARG H H 279 7.257 7.257 7.964 -0.707 17911 1005 1 2 . 1 1 94 94 THR N N 280 106.223 106.223 111.668 -5.445 17911 1006 1 2 . 1 1 94 94 THR HA H 280 5.028 5.028 5.341 -0.314 17911 1007 1 2 . 1 1 94 94 THR CA C 280 59.684 59.684 60.706 -1.022 17911 1008 1 2 . 1 1 94 94 THR CB C 280 72.787 72.787 71.633 1.154 17911 1009 1 2 . 1 1 94 94 THR H H 280 7.726 7.726 8.346 -0.620 17911 1010 1 2 . 1 1 95 95 ILE N N 281 121.214 121.214 120.270 0.944 17911 1011 1 2 . 1 1 95 95 ILE HA H 281 4.301 4.301 4.704 -0.403 17911 1012 1 2 . 1 1 95 95 ILE CA C 281 62.066 62.066 60.709 1.357 17911 1013 1 2 . 1 1 95 95 ILE CB C 281 40.539 40.539 41.289 -0.750 17911 1014 1 2 . 1 1 95 95 ILE H H 281 8.761 8.761 9.011 -0.250 17911 1015 1 2 . 1 1 96 96 LEU N N 282 128.347 128.347 126.325 2.022 17911 1016 1 2 . 1 1 96 96 LEU HA H 282 3.850 3.850 3.794 0.056 17911 1017 1 2 . 1 1 96 96 LEU CA C 282 55.344 55.344 56.283 -0.939 17911 1018 1 2 . 1 1 96 96 LEU CB C 282 40.539 40.539 40.582 -0.043 17911 1019 1 2 . 1 1 96 96 LEU H H 282 9.905 9.905 9.870 0.035 17911 1020 1 2 . 1 1 97 97 GLY N N 283 103.322 103.322 104.149 -0.827 17911 1021 1 2 . 1 1 97 97 GLY CA C 283 45.645 45.645 44.700 0.945 17911 1022 1 2 . 1 1 97 97 GLY H H 283 8.937 8.937 8.258 0.679 17911 1023 1 2 . 1 1 98 98 SER N N 284 116.619 116.619 116.890 -0.271 17911 1024 1 2 . 1 1 98 98 SER HA H 284 4.950 4.950 4.937 0.013 17911 1025 1 2 . 1 1 98 98 SER CA C 284 56.961 56.961 56.318 0.643 17911 1026 1 2 . 1 1 98 98 SER CB C 284 65.044 65.044 64.602 0.442 17911 1027 1 2 . 1 1 98 98 SER H H 284 8.612 8.612 8.343 0.269 17911 1028 1 2 . 1 1 99 99 THR N N 285 114.513 114.513 117.156 -2.643 17911 1029 1 2 . 1 1 99 99 THR HA H 285 4.598 4.598 4.682 -0.084 17911 1030 1 2 . 1 1 99 99 THR CA C 285 61.739 61.739 62.180 -0.441 17911 1031 1 2 . 1 1 99 99 THR CB C 285 69.214 69.214 68.460 0.754 17911 1032 1 2 . 1 1 99 99 THR H H 285 8.601 8.601 8.659 -0.059 17911 1033 1 2 . 1 1 100 100 ILE N N 286 117.511 117.511 115.675 1.836 17911 1034 1 2 . 1 1 100 100 ILE HA H 286 4.496 4.496 4.628 -0.132 17911 1035 1 2 . 1 1 100 100 ILE CA C 286 59.173 59.173 59.187 -0.014 17911 1036 1 2 . 1 1 100 100 ILE CB C 286 41.887 41.887 40.691 1.196 17911 1037 1 2 . 1 1 100 100 ILE H H 286 7.931 7.931 7.509 0.422 17911 1038 1 2 . 1 1 101 101 LEU N N 287 121.101 121.101 116.074 5.027 17911 1039 1 2 . 1 1 101 101 LEU HA H 287 4.157 4.157 4.090 0.067 17911 1040 1 2 . 1 1 101 101 LEU CA C 287 54.520 54.520 53.317 1.203 17911 1041 1 2 . 1 1 101 101 LEU CB C 287 40.083 40.083 44.574 -4.491 17911 1042 1 2 . 1 1 101 101 LEU H H 287 8.025 8.025 8.029 -0.004 17911 1043 1 2 . 1 1 102 102 GLU HA H 288 3.720 3.720 4.334 -0.614 17911 1044 1 2 . 1 1 102 102 GLU CA C 288 55.770 55.770 54.896 0.874 17911 1045 1 2 . 1 1 102 102 GLU CB C 288 29.904 29.904 32.840 -2.936 17911 1046 1 2 . 1 1 103 103 ASP N N 289 121.287 121.287 120.208 1.079 17911 1047 1 2 . 1 1 103 103 ASP HA H 289 4.513 4.513 4.677 -0.164 17911 1048 1 2 . 1 1 103 103 ASP CA C 289 52.281 52.281 53.739 -1.458 17911 1049 1 2 . 1 1 103 103 ASP CB C 289 42.922 42.922 40.928 1.994 17911 1050 1 2 . 1 1 103 103 ASP H H 289 8.014 8.014 8.528 -0.514 17911 1051 1 2 . 1 1 104 104 GLU N N 290 118.245 118.245 119.048 -0.803 17911 1052 1 2 . 1 1 104 104 GLU HA H 290 3.904 3.904 4.101 -0.197 17911 1053 1 2 . 1 1 104 104 GLU CA C 290 57.614 57.614 56.998 0.616 17911 1054 1 2 . 1 1 104 104 GLU CB C 290 30.499 30.499 29.714 0.785 17911 1055 1 2 . 1 1 104 104 GLU H H 290 7.432 7.432 8.357 -0.925 17911 1056 1 2 . 1 1 105 105 PHE N N 291 120.606 120.606 119.961 0.645 17911 1057 1 2 . 1 1 105 105 PHE HA H 291 4.838 4.838 4.596 0.242 17911 1058 1 2 . 1 1 105 105 PHE CA C 291 56.536 56.536 56.897 -0.361 17911 1059 1 2 . 1 1 105 105 PHE CB C 291 39.774 39.774 38.451 1.323 17911 1060 1 2 . 1 1 105 105 PHE H H 291 8.835 8.835 8.050 0.785 17911 1061 1 2 . 1 1 106 106 THR N N 292 111.349 111.349 116.078 -4.729 17911 1062 1 2 . 1 1 106 106 THR HA H 292 4.670 4.670 4.585 0.085 17911 1063 1 2 . 1 1 106 106 THR CA C 292 59.344 59.344 61.271 -1.927 17911 1064 1 2 . 1 1 106 106 THR CB C 292 69.299 69.299 69.771 -0.472 17911 1065 1 2 . 1 1 106 106 THR H H 292 8.757 8.757 8.073 0.684 17911 1066 1 2 . 1 1 107 107 PRO HA H 293 3.988 3.988 4.538 -0.550 17911 1067 1 2 . 1 1 107 107 PRO CA C 293 65.606 65.606 64.621 0.985 17911 1068 1 2 . 1 1 107 107 PRO CB C 293 31.321 31.321 31.984 -0.663 17911 1069 1 2 . 1 1 108 108 PHE N N 294 114.627 114.627 117.680 -3.053 17911 1070 1 2 . 1 1 108 108 PHE HA H 294 4.201 4.201 4.288 -0.087 17911 1071 1 2 . 1 1 108 108 PHE CA C 294 59.676 59.676 59.053 0.623 17911 1072 1 2 . 1 1 108 108 PHE CB C 294 38.582 38.582 38.590 -0.008 17911 1073 1 2 . 1 1 108 108 PHE H H 294 7.310 7.310 8.276 -0.966 17911 1074 1 2 . 1 1 109 109 ASP N N 295 120.210 120.210 119.409 0.801 17911 1075 1 2 . 1 1 109 109 ASP HA H 295 4.404 4.404 4.246 0.158 17911 1076 1 2 . 1 1 109 109 ASP CA C 295 57.098 57.098 56.469 0.629 17911 1077 1 2 . 1 1 109 109 ASP CB C 295 41.475 41.475 40.816 0.659 17911 1078 1 2 . 1 1 109 109 ASP H H 295 7.837 7.837 8.317 -0.480 17911 1079 1 2 . 1 1 110 110 VAL N N 296 119.070 119.070 118.739 0.331 17911 1080 1 2 . 1 1 110 110 VAL HA H 296 3.602 3.602 3.876 -0.274 17911 1081 1 2 . 1 1 110 110 VAL CA C 296 66.491 66.491 65.336 1.155 17911 1082 1 2 . 1 1 110 110 VAL CB C 296 31.605 31.605 31.405 0.200 17911 1083 1 2 . 1 1 110 110 VAL H H 296 7.945 7.945 7.874 0.071 17911 1084 1 2 . 1 1 111 111 VAL N N 297 119.540 119.540 111.516 8.024 17911 1085 1 2 . 1 1 111 111 VAL HA H 297 3.601 3.601 3.683 -0.082 17911 1086 1 2 . 1 1 111 111 VAL CA C 297 66.379 66.379 63.273 3.106 17911 1087 1 2 . 1 1 111 111 VAL CB C 297 31.605 31.605 30.520 1.085 17911 1088 1 2 . 1 1 111 111 VAL H H 297 8.109 8.109 7.443 0.666 17911 1089 1 2 . 1 1 112 112 ARG N N 298 119.680 119.680 118.483 1.197 17911 1090 1 2 . 1 1 112 112 ARG HA H 298 4.010 4.010 3.837 0.172 17911 1091 1 2 . 1 1 112 112 ARG CA C 298 58.634 58.634 59.672 -1.038 17911 1092 1 2 . 1 1 112 112 ARG CB C 298 30.028 30.028 28.857 1.171 17911 1093 1 2 . 1 1 112 112 ARG H H 298 7.710 7.710 8.423 -0.713 17911 1094 1 2 . 1 1 113 113 GLN N N 299 117.786 117.786 116.866 0.920 17911 1095 1 2 . 1 1 113 113 GLN HA H 299 4.158 4.158 4.454 -0.296 17911 1096 1 2 . 1 1 113 113 GLN CA C 299 57.557 57.557 56.438 1.119 17911 1097 1 2 . 1 1 113 113 GLN CB C 299 29.308 29.308 29.071 0.237 17911 1098 1 2 . 1 1 113 113 GLN H H 299 8.033 8.033 8.446 -0.413 17911 1099 1 2 . 1 1 114 114 CYS N N 300 115.786 115.786 120.484 -4.698 17911 1100 1 2 . 1 1 114 114 CYS HA H 300 4.470 4.470 4.566 -0.096 17911 1101 1 2 . 1 1 114 114 CYS CA C 300 59.934 59.934 60.717 -0.783 17911 1102 1 2 . 1 1 114 114 CYS CB C 300 28.293 28.293 29.855 -1.562 17911 1103 1 2 . 1 1 114 114 CYS H H 300 8.071 8.071 7.703 0.368 17911 1104 1 2 . 1 1 115 115 SER N N 301 116.258 116.258 116.380 -0.122 17911 1105 1 2 . 1 1 115 115 SER HA H 301 4.407 4.407 4.657 -0.250 17911 1106 1 2 . 1 1 115 115 SER CA C 301 59.485 59.485 58.200 1.285 17911 1107 1 2 . 1 1 115 115 SER CB C 301 63.286 63.286 63.798 -0.512 17911 1108 1 2 . 1 1 115 115 SER H H 301 7.883 7.883 8.493 -0.610 17911 1109 1 2 . 1 1 116 116 GLY N N 302 110.709 110.709 108.304 2.405 17911 1110 1 2 . 1 1 116 116 GLY CA C 302 45.239 45.239 43.761 1.478 17911 1111 1 2 . 1 1 116 116 GLY H H 302 8.355 8.355 8.214 0.141 17911 1112 1 2 . 1 1 117 117 VAL N N 303 119.189 119.189 123.632 -4.443 17911 1113 1 2 . 1 1 117 117 VAL HA H 303 4.057 4.057 3.823 0.234 17911 1114 1 2 . 1 1 117 117 VAL CA C 303 62.236 62.236 64.197 -1.960 17911 1115 1 2 . 1 1 117 117 VAL CB C 303 32.626 32.626 30.668 1.958 17911 1116 1 2 . 1 1 117 117 VAL H H 303 7.710 7.710 8.402 -0.692 17911 1117 1 2 . 1 1 118 118 THR N N 304 118.009 118.009 111.555 6.454 17911 1118 1 2 . 1 1 118 118 THR HA H 304 4.279 4.279 4.239 0.040 17911 1119 1 2 . 1 1 118 118 THR CA C 304 61.556 61.556 62.210 -0.654 17911 1120 1 2 . 1 1 118 118 THR CB C 304 69.894 69.894 69.469 0.425 17911 1121 1 2 . 1 1 118 118 THR H H 304 8.109 8.109 7.543 0.566 17911 1122 1 2 . 1 1 119 119 PHE N N 305 123.287 123.287 121.877 1.410 17911 1123 1 2 . 1 1 119 119 PHE HA H 305 4.605 4.605 4.495 0.110 17911 1124 1 2 . 1 1 119 119 PHE CA C 305 57.727 57.727 60.129 -2.402 17911 1125 1 2 . 1 1 119 119 PHE CB C 305 39.859 39.859 39.481 0.378 17911 1126 1 2 . 1 1 119 119 PHE H H 305 8.298 8.298 7.706 0.592 17911 1127 1 3 . 1 1 2 2 ARG N N 188 121.886 121.886 120.845 1.041 17911 1128 1 3 . 1 1 2 2 ARG HA H 188 4.242 4.242 4.577 -0.335 17911 1129 1 3 . 1 1 2 2 ARG CA C 188 56.487 56.487 55.471 1.016 17911 1130 1 3 . 1 1 2 2 ARG CB C 188 30.857 30.857 31.032 -0.175 17911 1131 1 3 . 1 1 2 2 ARG H H 188 8.475 8.475 8.238 0.237 17911 1132 1 3 . 1 1 3 3 GLN N N 189 121.336 121.336 122.170 -0.834 17911 1133 1 3 . 1 1 3 3 GLN HA H 189 4.302 4.302 4.203 0.099 17911 1134 1 3 . 1 1 3 3 GLN CA C 189 56.366 56.366 56.526 -0.160 17911 1135 1 3 . 1 1 3 3 GLN CB C 189 29.254 29.254 28.864 0.390 17911 1136 1 3 . 1 1 3 3 GLN H H 189 8.553 8.553 8.281 0.272 17911 1137 1 3 . 1 1 4 4 THR N N 190 115.273 115.273 108.648 6.625 17911 1138 1 3 . 1 1 4 4 THR HA H 190 4.275 4.275 3.881 0.394 17911 1139 1 3 . 1 1 4 4 THR CA C 190 62.066 62.066 62.213 -0.147 17911 1140 1 3 . 1 1 4 4 THR CB C 190 69.894 69.894 67.756 2.138 17911 1141 1 3 . 1 1 4 4 THR H H 190 8.123 8.123 8.373 -0.250 17911 1142 1 3 . 1 1 5 5 ALA N N 191 126.029 126.029 123.856 2.173 17911 1143 1 3 . 1 1 5 5 ALA HA H 191 4.247 4.247 4.095 0.152 17911 1144 1 3 . 1 1 5 5 ALA CA C 191 52.537 52.537 53.456 -0.919 17911 1145 1 3 . 1 1 5 5 ALA CB C 191 19.183 19.183 19.381 -0.199 17911 1146 1 3 . 1 1 5 5 ALA H H 191 8.284 8.284 7.470 0.814 17911 1147 1 3 . 1 1 6 6 GLN N N 192 119.614 119.614 121.475 -1.861 17911 1148 1 3 . 1 1 6 6 GLN HA H 192 4.217 4.217 3.769 0.448 17911 1149 1 3 . 1 1 6 6 GLN CA C 192 55.685 55.685 58.605 -2.920 17911 1150 1 3 . 1 1 6 6 GLN CB C 192 29.513 29.513 26.904 2.609 17911 1151 1 3 . 1 1 6 6 GLN H H 192 8.287 8.287 8.862 -0.575 17911 1152 1 3 . 1 1 7 7 ALA N N 193 125.571 125.571 123.023 2.548 17911 1153 1 3 . 1 1 7 7 ALA HA H 193 4.246 4.246 4.144 0.102 17911 1154 1 3 . 1 1 7 7 ALA CA C 193 52.537 52.537 54.389 -1.852 17911 1155 1 3 . 1 1 7 7 ALA CB C 193 19.268 19.268 18.759 0.510 17911 1156 1 3 . 1 1 7 7 ALA H H 193 8.271 8.271 7.944 0.327 17911 1157 1 3 . 1 1 8 8 ALA N N 194 123.461 123.461 117.391 6.070 17911 1158 1 3 . 1 1 8 8 ALA HA H 194 4.250 4.250 4.504 -0.254 17911 1159 1 3 . 1 1 8 8 ALA CA C 194 52.593 52.593 51.694 0.899 17911 1160 1 3 . 1 1 8 8 ALA CB C 194 19.324 19.324 19.526 -0.202 17911 1161 1 3 . 1 1 8 8 ALA H H 194 8.275 8.275 7.681 0.594 17911 1162 1 3 . 1 1 9 9 GLY N N 195 108.312 108.312 108.255 0.057 17911 1163 1 3 . 1 1 9 9 GLY CA C 195 45.219 45.219 45.933 -0.714 17911 1164 1 3 . 1 1 9 9 GLY H H 195 8.328 8.328 8.188 0.140 17911 1165 1 3 . 1 1 10 10 THR N N 196 112.710 112.710 111.150 1.560 17911 1166 1 3 . 1 1 10 10 THR HA H 196 4.334 4.334 4.434 -0.100 17911 1167 1 3 . 1 1 10 10 THR CA C 196 61.471 61.471 62.266 -0.795 17911 1168 1 3 . 1 1 10 10 THR CB C 196 69.894 69.894 70.762 -0.868 17911 1169 1 3 . 1 1 10 10 THR H H 196 7.998 7.998 7.761 0.237 17911 1170 1 3 . 1 1 11 11 ASP N N 197 122.862 122.862 123.783 -0.921 17911 1171 1 3 . 1 1 11 11 ASP HA H 197 4.609 4.609 4.417 0.192 17911 1172 1 3 . 1 1 11 11 ASP CA C 197 54.262 54.262 56.821 -2.559 17911 1173 1 3 . 1 1 11 11 ASP CB C 197 41.135 41.135 41.494 -0.359 17911 1174 1 3 . 1 1 11 11 ASP H H 197 8.404 8.404 8.470 -0.066 17911 1175 1 3 . 1 1 12 12 THR N N 198 114.709 114.709 107.098 7.611 17911 1176 1 3 . 1 1 12 12 THR HA H 198 4.400 4.400 4.844 -0.444 17911 1177 1 3 . 1 1 12 12 THR CA C 198 61.223 61.223 60.541 0.682 17911 1178 1 3 . 1 1 12 12 THR CB C 198 70.490 70.490 71.653 -1.163 17911 1179 1 3 . 1 1 12 12 THR H H 198 7.895 7.895 7.749 0.146 17911 1180 1 3 . 1 1 13 13 THR N N 199 122.785 122.785 114.989 7.796 17911 1181 1 3 . 1 1 13 13 THR HA H 199 3.961 3.961 4.540 -0.579 17911 1182 1 3 . 1 1 13 13 THR CA C 199 63.286 63.286 61.345 1.941 17911 1183 1 3 . 1 1 13 13 THR CB C 199 68.958 68.958 71.650 -2.692 17911 1184 1 3 . 1 1 13 13 THR H H 199 8.354 8.354 7.820 0.534 17911 1185 1 3 . 1 1 14 14 ILE N N 200 127.902 127.902 128.433 -0.531 17911 1186 1 3 . 1 1 14 14 ILE HA H 200 3.807 3.807 4.251 -0.444 17911 1187 1 3 . 1 1 14 14 ILE CA C 200 60.965 60.965 61.501 -0.536 17911 1188 1 3 . 1 1 14 14 ILE CB C 200 35.860 35.860 35.724 0.136 17911 1189 1 3 . 1 1 14 14 ILE H H 200 9.362 9.362 9.228 0.134 17911 1190 1 3 . 1 1 15 15 THR N N 201 130.379 130.379 123.281 7.098 17911 1191 1 3 . 1 1 15 15 THR HA H 201 3.521 3.521 3.996 -0.475 17911 1192 1 3 . 1 1 15 15 THR CA C 201 66.637 66.637 66.962 -0.325 17911 1193 1 3 . 1 1 15 15 THR CB C 201 67.411 67.411 68.710 -1.300 17911 1194 1 3 . 1 1 15 15 THR H H 201 7.834 7.834 8.175 -0.341 17911 1195 1 3 . 1 1 16 16 LEU N N 202 120.049 120.049 120.850 -0.801 17911 1196 1 3 . 1 1 16 16 LEU HA H 202 3.715 3.715 4.100 -0.385 17911 1197 1 3 . 1 1 16 16 LEU CA C 202 58.387 58.387 58.553 -0.166 17911 1198 1 3 . 1 1 16 16 LEU CB C 202 43.148 43.148 41.148 2.000 17911 1199 1 3 . 1 1 16 16 LEU H H 202 8.913 8.913 8.483 0.430 17911 1200 1 3 . 1 1 17 17 ASN N N 203 117.390 117.390 117.827 -0.437 17911 1201 1 3 . 1 1 17 17 ASN HA H 203 4.594 4.594 4.650 -0.056 17911 1202 1 3 . 1 1 17 17 ASN CA C 203 54.520 54.520 56.145 -1.625 17911 1203 1 3 . 1 1 17 17 ASN CB C 203 37.246 37.246 37.914 -0.668 17911 1204 1 3 . 1 1 17 17 ASN H H 203 6.926 6.926 8.017 -1.091 17911 1205 1 3 . 1 1 18 18 VAL N N 204 123.434 123.434 122.488 0.946 17911 1206 1 3 . 1 1 18 18 VAL HA H 204 4.242 4.242 4.071 0.171 17911 1207 1 3 . 1 1 18 18 VAL CA C 204 66.236 66.236 66.772 -0.536 17911 1208 1 3 . 1 1 18 18 VAL CB C 204 31.605 31.605 31.855 -0.250 17911 1209 1 3 . 1 1 18 18 VAL H H 204 7.660 7.660 7.889 -0.229 17911 1210 1 3 . 1 1 19 19 LEU N N 205 117.301 117.301 120.222 -2.921 17911 1211 1 3 . 1 1 19 19 LEU HA H 205 3.945 3.945 3.918 0.027 17911 1212 1 3 . 1 1 19 19 LEU CA C 205 58.408 58.408 58.545 -0.137 17911 1213 1 3 . 1 1 19 19 LEU CB C 205 42.918 42.918 41.126 1.792 17911 1214 1 3 . 1 1 19 19 LEU H H 205 8.573 8.573 8.587 -0.014 17911 1215 1 3 . 1 1 20 20 ALA N N 206 120.290 120.290 121.899 -1.609 17911 1216 1 3 . 1 1 20 20 ALA HA H 206 4.012 4.012 4.212 -0.200 17911 1217 1 3 . 1 1 20 20 ALA CA C 206 56.195 56.195 55.234 0.960 17911 1218 1 3 . 1 1 20 20 ALA CB C 206 17.911 17.911 18.187 -0.276 17911 1219 1 3 . 1 1 20 20 ALA H H 206 8.188 8.188 8.506 -0.318 17911 1220 1 3 . 1 1 21 21 TRP N N 207 121.219 121.219 120.908 0.311 17911 1221 1 3 . 1 1 21 21 TRP HA H 207 4.110 4.110 4.214 -0.104 17911 1222 1 3 . 1 1 21 21 TRP CA C 207 61.224 61.224 62.299 -1.075 17911 1223 1 3 . 1 1 21 21 TRP CB C 207 28.712 28.712 29.382 -0.670 17911 1224 1 3 . 1 1 21 21 TRP H H 207 8.406 8.406 8.461 -0.055 17911 1225 1 3 . 1 1 22 22 LEU HA H 208 3.517 3.517 3.750 -0.233 17911 1226 1 3 . 1 1 22 22 LEU CA C 208 57.897 57.897 58.005 -0.108 17911 1227 1 3 . 1 1 22 22 LEU CB C 208 40.880 40.880 41.515 -0.635 17911 1228 1 3 . 1 1 22 22 LEU H H 208 8.620 8.620 8.892 -0.272 17911 1229 1 3 . 1 1 23 23 TYR N N 209 117.656 117.656 119.222 -1.566 17911 1230 1 3 . 1 1 23 23 TYR HA H 209 3.956 3.956 4.052 -0.096 17911 1231 1 3 . 1 1 23 23 TYR CA C 209 64.704 64.704 62.119 2.585 17911 1232 1 3 . 1 1 23 23 TYR CB C 209 38.793 38.793 37.586 1.207 17911 1233 1 3 . 1 1 23 23 TYR H H 209 8.368 8.368 8.539 -0.171 17911 1234 1 3 . 1 1 24 24 ALA N N 210 122.658 122.658 121.297 1.361 17911 1235 1 3 . 1 1 24 24 ALA HA H 210 3.837 3.837 3.776 0.061 17911 1236 1 3 . 1 1 24 24 ALA CA C 210 55.036 55.036 54.849 0.187 17911 1237 1 3 . 1 1 24 24 ALA CB C 210 17.311 17.311 17.590 -0.279 17911 1238 1 3 . 1 1 24 24 ALA H H 210 8.461 8.461 8.104 0.357 17911 1239 1 3 . 1 1 25 25 ALA N N 211 123.868 123.868 121.798 2.070 17911 1240 1 3 . 1 1 25 25 ALA HA H 211 3.761 3.761 3.685 0.076 17911 1241 1 3 . 1 1 25 25 ALA CA C 211 55.551 55.551 54.702 0.849 17911 1242 1 3 . 1 1 25 25 ALA CB C 211 17.992 17.992 18.101 -0.109 17911 1243 1 3 . 1 1 25 25 ALA H H 211 8.564 8.564 7.801 0.763 17911 1244 1 3 . 1 1 26 26 VAL N N 212 119.783 119.783 119.869 -0.086 17911 1245 1 3 . 1 1 26 26 VAL HA H 212 3.487 3.487 3.662 -0.175 17911 1246 1 3 . 1 1 26 26 VAL CA C 212 66.576 66.576 66.718 -0.142 17911 1247 1 3 . 1 1 26 26 VAL CB C 212 31.575 31.575 31.465 0.110 17911 1248 1 3 . 1 1 26 26 VAL H H 212 8.008 8.008 8.144 -0.136 17911 1249 1 3 . 1 1 27 27 ILE N N 213 124.428 124.428 119.240 5.188 17911 1250 1 3 . 1 1 27 27 ILE HA H 213 3.559 3.559 3.523 0.036 17911 1251 1 3 . 1 1 27 27 ILE CA C 213 65.526 65.526 65.492 0.034 17911 1252 1 3 . 1 1 27 27 ILE CB C 213 37.902 37.902 37.481 0.421 17911 1253 1 3 . 1 1 27 27 ILE H H 213 8.576 8.576 8.237 0.339 17911 1254 1 3 . 1 1 28 28 ASN N N 214 116.563 116.563 114.998 1.565 17911 1255 1 3 . 1 1 28 28 ASN HA H 214 4.565 4.565 3.205 1.360 17911 1256 1 3 . 1 1 28 28 ASN CA C 214 54.579 54.579 55.110 -0.531 17911 1257 1 3 . 1 1 28 28 ASN CB C 214 40.340 40.340 39.404 0.936 17911 1258 1 3 . 1 1 28 28 ASN H H 214 7.714 7.714 7.806 -0.092 17911 1259 1 3 . 1 1 29 29 GLY N N 215 107.004 107.004 106.193 0.811 17911 1260 1 3 . 1 1 29 29 GLY CA C 215 45.683 45.683 45.285 0.398 17911 1261 1 3 . 1 1 29 29 GLY H H 215 7.861 7.861 8.237 -0.376 17911 1262 1 3 . 1 1 30 30 ASP N N 216 125.780 125.780 123.995 1.785 17911 1263 1 3 . 1 1 30 30 ASP HA H 216 5.019 5.019 4.566 0.453 17911 1264 1 3 . 1 1 30 30 ASP CA C 216 53.643 53.643 55.533 -1.890 17911 1265 1 3 . 1 1 30 30 ASP CB C 216 41.561 41.561 41.137 0.424 17911 1266 1 3 . 1 1 30 30 ASP H H 216 8.560 8.560 8.328 0.232 17911 1267 1 3 . 1 1 31 31 ARG N N 217 115.297 115.297 122.397 -7.100 17911 1268 1 3 . 1 1 31 31 ARG HA H 217 3.711 3.711 3.695 0.016 17911 1269 1 3 . 1 1 31 31 ARG CA C 217 54.520 54.520 55.469 -0.949 17911 1270 1 3 . 1 1 31 31 ARG CB C 217 32.116 32.116 30.269 1.847 17911 1271 1 3 . 1 1 31 31 ARG H H 217 7.984 7.984 8.268 -0.284 17911 1272 1 3 . 1 1 32 32 TRP N N 218 119.754 119.754 120.503 -0.749 17911 1273 1 3 . 1 1 32 32 TRP HA H 218 4.120 4.120 4.306 -0.186 17911 1274 1 3 . 1 1 32 32 TRP CA C 218 58.387 58.387 58.014 0.373 17911 1275 1 3 . 1 1 32 32 TRP CB C 218 28.372 28.372 28.341 0.031 17911 1276 1 3 . 1 1 32 32 TRP H H 218 7.368 7.368 7.504 -0.136 17911 1277 1 3 . 1 1 33 33 PHE HA H 219 3.919 3.919 4.574 -0.655 17911 1278 1 3 . 1 1 33 33 PHE CA C 219 55.315 55.315 55.931 -0.616 17911 1279 1 3 . 1 1 33 33 PHE CB C 219 37.277 37.277 38.095 -0.818 17911 1280 1 3 . 1 1 34 34 LEU N N 220 122.632 122.632 125.470 -2.838 17911 1281 1 3 . 1 1 34 34 LEU HA H 220 3.931 3.931 3.980 -0.049 17911 1282 1 3 . 1 1 34 34 LEU CA C 220 55.315 55.315 52.761 2.554 17911 1283 1 3 . 1 1 34 34 LEU CB C 220 40.790 40.790 39.241 1.549 17911 1284 1 3 . 1 1 34 34 LEU H H 220 6.447 6.447 7.026 -0.579 17911 1285 1 3 . 1 1 35 35 ASN N N 221 119.503 119.503 121.951 -2.448 17911 1286 1 3 . 1 1 35 35 ASN HA H 221 4.709 4.709 4.105 0.604 17911 1287 1 3 . 1 1 35 35 ASN CA C 221 52.026 52.026 53.004 -0.978 17911 1288 1 3 . 1 1 35 35 ASN CB C 221 40.598 40.598 38.433 2.165 17911 1289 1 3 . 1 1 35 35 ASN H H 221 8.105 8.105 7.599 0.506 17911 1290 1 3 . 1 1 36 36 ARG N N 222 116.408 116.408 117.932 -1.524 17911 1291 1 3 . 1 1 36 36 ARG HA H 222 4.293 4.293 4.509 -0.216 17911 1292 1 3 . 1 1 36 36 ARG CA C 222 55.600 55.600 55.206 0.394 17911 1293 1 3 . 1 1 36 36 ARG CB C 222 28.997 28.997 29.997 -1.000 17911 1294 1 3 . 1 1 36 36 ARG H H 222 8.099 8.099 8.133 -0.034 17911 1295 1 3 . 1 1 37 37 PHE N N 223 120.398 120.398 120.134 0.264 17911 1296 1 3 . 1 1 37 37 PHE HA H 223 4.813 4.813 4.489 0.324 17911 1297 1 3 . 1 1 37 37 PHE CA C 223 56.081 56.081 57.798 -1.717 17911 1298 1 3 . 1 1 37 37 PHE CB C 223 40.085 40.085 38.413 1.672 17911 1299 1 3 . 1 1 37 37 PHE H H 223 7.842 7.842 7.650 0.192 17911 1300 1 3 . 1 1 38 38 THR N N 224 112.040 112.040 110.651 1.389 17911 1301 1 3 . 1 1 38 38 THR HA H 224 4.653 4.653 4.137 0.516 17911 1302 1 3 . 1 1 38 38 THR CA C 224 60.708 60.708 62.872 -2.164 17911 1303 1 3 . 1 1 38 38 THR CB C 224 71.000 71.000 68.872 2.128 17911 1304 1 3 . 1 1 38 38 THR H H 224 8.231 8.231 8.189 0.042 17911 1305 1 3 . 1 1 39 39 THR N N 225 116.627 116.627 113.491 3.136 17911 1306 1 3 . 1 1 39 39 THR HA H 225 4.925 4.925 4.568 0.357 17911 1307 1 3 . 1 1 39 39 THR CA C 225 59.677 59.677 60.063 -0.386 17911 1308 1 3 . 1 1 39 39 THR CB C 225 69.989 69.989 69.961 0.028 17911 1309 1 3 . 1 1 39 39 THR H H 225 8.107 8.107 8.194 -0.087 17911 1310 1 3 . 1 1 40 40 THR N N 226 111.263 111.263 116.312 -5.049 17911 1311 1 3 . 1 1 40 40 THR HA H 226 4.727 4.727 4.517 0.210 17911 1312 1 3 . 1 1 40 40 THR CA C 226 59.740 59.740 61.316 -1.576 17911 1313 1 3 . 1 1 40 40 THR CB C 226 72.052 72.052 70.064 1.988 17911 1314 1 3 . 1 1 40 40 THR H H 226 8.481 8.481 8.232 0.249 17911 1315 1 3 . 1 1 41 41 LEU N N 227 123.989 123.989 124.136 -0.147 17911 1316 1 3 . 1 1 41 41 LEU HA H 227 3.986 3.986 4.153 -0.167 17911 1317 1 3 . 1 1 41 41 LEU CA C 227 58.903 58.903 58.263 0.640 17911 1318 1 3 . 1 1 41 41 LEU CB C 227 41.561 41.561 42.062 -0.501 17911 1319 1 3 . 1 1 41 41 LEU H H 227 9.259 9.259 8.780 0.479 17911 1320 1 3 . 1 1 42 42 ASN N N 228 115.183 115.183 117.097 -1.914 17911 1321 1 3 . 1 1 42 42 ASN HA H 228 4.435 4.435 4.406 0.029 17911 1322 1 3 . 1 1 42 42 ASN CA C 228 56.961 56.961 57.339 -0.378 17911 1323 1 3 . 1 1 42 42 ASN CB C 228 38.497 38.497 38.161 0.336 17911 1324 1 3 . 1 1 42 42 ASN H H 228 8.598 8.598 8.499 0.099 17911 1325 1 3 . 1 1 43 43 ASP N N 229 118.746 118.746 120.314 -1.568 17911 1326 1 3 . 1 1 43 43 ASP HA H 229 4.367 4.367 4.438 -0.071 17911 1327 1 3 . 1 1 43 43 ASP CA C 229 57.387 57.387 57.267 0.120 17911 1328 1 3 . 1 1 43 43 ASP CB C 229 40.625 40.625 40.943 -0.318 17911 1329 1 3 . 1 1 43 43 ASP H H 229 7.847 7.847 8.004 -0.157 17911 1330 1 3 . 1 1 44 44 PHE N N 230 120.193 120.193 120.966 -0.773 17911 1331 1 3 . 1 1 44 44 PHE HA H 230 3.808 3.808 4.096 -0.288 17911 1332 1 3 . 1 1 44 44 PHE CA C 230 62.747 62.747 61.897 0.850 17911 1333 1 3 . 1 1 44 44 PHE CB C 230 38.753 38.753 39.181 -0.428 17911 1334 1 3 . 1 1 44 44 PHE H H 230 8.547 8.547 8.371 0.176 17911 1335 1 3 . 1 1 45 45 ASN N N 231 118.852 118.852 118.294 0.558 17911 1336 1 3 . 1 1 45 45 ASN HA H 231 4.472 4.472 4.257 0.215 17911 1337 1 3 . 1 1 45 45 ASN CA C 231 55.344 55.344 56.124 -0.780 17911 1338 1 3 . 1 1 45 45 ASN CB C 231 37.391 37.391 38.079 -0.688 17911 1339 1 3 . 1 1 45 45 ASN H H 231 8.727 8.727 8.540 0.187 17911 1340 1 3 . 1 1 46 46 LEU N N 232 120.221 120.221 120.912 -0.691 17911 1341 1 3 . 1 1 46 46 LEU HA H 232 4.065 4.065 3.943 0.122 17911 1342 1 3 . 1 1 46 46 LEU CA C 232 58.152 58.152 58.363 -0.211 17911 1343 1 3 . 1 1 46 46 LEU CB C 232 42.071 42.071 41.900 0.171 17911 1344 1 3 . 1 1 46 46 LEU H H 232 7.516 7.516 8.358 -0.842 17911 1345 1 3 . 1 1 47 47 VAL N N 233 119.649 119.649 118.823 0.826 17911 1346 1 3 . 1 1 47 47 VAL HA H 233 3.604 3.604 3.473 0.131 17911 1347 1 3 . 1 1 47 47 VAL CA C 233 65.864 65.864 66.615 -0.751 17911 1348 1 3 . 1 1 47 47 VAL CB C 233 31.575 31.575 31.466 0.109 17911 1349 1 3 . 1 1 47 47 VAL H H 233 6.987 6.987 8.115 -1.128 17911 1350 1 3 . 1 1 48 48 ALA N N 234 122.056 122.056 122.696 -0.640 17911 1351 1 3 . 1 1 48 48 ALA HA H 234 3.451 3.451 3.788 -0.337 17911 1352 1 3 . 1 1 48 48 ALA CA C 234 55.741 55.741 55.205 0.536 17911 1353 1 3 . 1 1 48 48 ALA CB C 234 16.971 16.971 18.086 -1.115 17911 1354 1 3 . 1 1 48 48 ALA H H 234 8.480 8.480 8.169 0.311 17911 1355 1 3 . 1 1 49 49 MET N N 235 114.180 114.180 117.473 -3.293 17911 1356 1 3 . 1 1 49 49 MET HA H 235 4.272 4.272 4.223 0.049 17911 1357 1 3 . 1 1 49 49 MET CA C 235 59.003 59.003 58.782 0.221 17911 1358 1 3 . 1 1 49 49 MET CB C 235 32.967 32.967 32.605 0.362 17911 1359 1 3 . 1 1 49 49 MET H H 235 7.950 7.950 8.245 -0.295 17911 1360 1 3 . 1 1 50 50 LYS N N 236 120.217 120.217 119.994 0.223 17911 1361 1 3 . 1 1 50 50 LYS HA H 236 3.945 3.945 3.872 0.073 17911 1362 1 3 . 1 1 50 50 LYS CA C 236 58.378 58.378 58.572 -0.194 17911 1363 1 3 . 1 1 50 50 LYS CB C 236 31.833 31.833 32.409 -0.576 17911 1364 1 3 . 1 1 50 50 LYS H H 236 7.378 7.378 7.921 -0.543 17911 1365 1 3 . 1 1 51 51 TYR N N 237 115.853 115.853 116.274 -0.421 17911 1366 1 3 . 1 1 51 51 TYR HA H 237 4.462 4.462 4.665 -0.203 17911 1367 1 3 . 1 1 51 51 TYR CA C 237 58.293 58.293 56.971 1.322 17911 1368 1 3 . 1 1 51 51 TYR CB C 237 38.668 38.668 37.911 0.757 17911 1369 1 3 . 1 1 51 51 TYR H H 237 7.392 7.392 7.312 0.080 17911 1370 1 3 . 1 1 52 52 ASN N N 238 115.965 115.965 114.677 1.288 17911 1371 1 3 . 1 1 52 52 ASN HA H 238 4.403 4.403 4.487 -0.084 17911 1372 1 3 . 1 1 52 52 ASN CA C 238 54.834 54.834 54.756 0.078 17911 1373 1 3 . 1 1 52 52 ASN CB C 238 36.881 36.881 36.690 0.191 17911 1374 1 3 . 1 1 52 52 ASN H H 238 7.914 7.914 8.067 -0.153 17911 1375 1 3 . 1 1 53 53 TYR N N 239 120.379 120.379 117.912 2.467 17911 1376 1 3 . 1 1 53 53 TYR HA H 239 4.675 4.675 4.917 -0.242 17911 1377 1 3 . 1 1 53 53 TYR CA C 239 57.387 57.387 56.401 0.986 17911 1378 1 3 . 1 1 53 53 TYR CB C 239 37.788 37.788 40.829 -3.041 17911 1379 1 3 . 1 1 53 53 TYR H H 239 8.341 8.341 8.264 0.077 17911 1380 1 3 . 1 1 54 54 GLU N N 240 122.559 122.559 122.826 -0.267 17911 1381 1 3 . 1 1 54 54 GLU HA H 240 4.317 4.317 4.428 -0.111 17911 1382 1 3 . 1 1 54 54 GLU CA C 240 54.579 54.579 55.197 -0.618 17911 1383 1 3 . 1 1 54 54 GLU CB C 240 30.802 30.802 29.819 0.983 17911 1384 1 3 . 1 1 54 54 GLU H H 240 8.114 8.114 8.606 -0.492 17911 1385 1 3 . 1 1 55 55 PRO HA H 241 4.314 4.314 4.429 -0.115 17911 1386 1 3 . 1 1 55 55 PRO CA C 241 62.973 62.973 62.799 0.174 17911 1387 1 3 . 1 1 55 55 PRO CB C 241 31.917 31.917 32.445 -0.528 17911 1388 1 3 . 1 1 56 56 LEU N N 242 124.468 124.468 121.578 2.890 17911 1389 1 3 . 1 1 56 56 LEU HA H 242 5.200 5.200 4.658 0.542 17911 1390 1 3 . 1 1 56 56 LEU CA C 242 53.747 53.747 53.910 -0.163 17911 1391 1 3 . 1 1 56 56 LEU CB C 242 45.560 45.560 46.219 -0.659 17911 1392 1 3 . 1 1 56 56 LEU H H 242 9.650 9.650 9.316 0.334 17911 1393 1 3 . 1 1 57 57 THR N N 243 116.700 116.700 113.669 3.031 17911 1394 1 3 . 1 1 57 57 THR HA H 243 4.664 4.664 4.776 -0.112 17911 1395 1 3 . 1 1 57 57 THR CA C 243 59.429 59.429 60.102 -0.673 17911 1396 1 3 . 1 1 57 57 THR CB C 243 71.851 71.851 71.843 0.008 17911 1397 1 3 . 1 1 57 57 THR H H 243 9.279 9.279 8.542 0.737 17911 1398 1 3 . 1 1 58 58 GLN N N 244 119.764 119.764 121.162 -1.398 17911 1399 1 3 . 1 1 58 58 GLN HA H 244 3.827 3.827 4.092 -0.265 17911 1400 1 3 . 1 1 58 58 GLN CA C 244 58.130 58.130 59.951 -1.821 17911 1401 1 3 . 1 1 58 58 GLN CB C 244 27.777 27.777 28.276 -0.499 17911 1402 1 3 . 1 1 58 58 GLN H H 244 8.959 8.959 8.979 -0.020 17911 1403 1 3 . 1 1 59 59 ASP N N 245 117.059 117.059 116.423 0.636 17911 1404 1 3 . 1 1 59 59 ASP HA H 245 4.325 4.325 4.339 -0.014 17911 1405 1 3 . 1 1 59 59 ASP CA C 245 57.301 57.301 57.132 0.169 17911 1406 1 3 . 1 1 59 59 ASP CB C 245 40.029 40.029 40.304 -0.275 17911 1407 1 3 . 1 1 59 59 ASP H H 245 7.838 7.838 8.929 -1.091 17911 1408 1 3 . 1 1 60 60 HIS N N 246 119.076 119.076 119.126 -0.050 17911 1409 1 3 . 1 1 60 60 HIS HA H 246 4.296 4.296 4.498 -0.202 17911 1410 1 3 . 1 1 60 60 HIS CA C 246 58.645 58.645 58.900 -0.255 17911 1411 1 3 . 1 1 60 60 HIS CB C 246 32.864 32.864 30.138 2.726 17911 1412 1 3 . 1 1 60 60 HIS H H 246 7.333 7.333 7.347 -0.014 17911 1413 1 3 . 1 1 61 61 VAL N N 247 118.215 118.215 120.011 -1.796 17911 1414 1 3 . 1 1 61 61 VAL HA H 247 3.400 3.400 3.688 -0.288 17911 1415 1 3 . 1 1 61 61 VAL CA C 247 67.257 67.257 66.542 0.715 17911 1416 1 3 . 1 1 61 61 VAL CB C 247 31.010 31.010 31.154 -0.144 17911 1417 1 3 . 1 1 61 61 VAL H H 247 7.565 7.565 8.466 -0.901 17911 1418 1 3 . 1 1 62 62 ASP N N 248 119.651 119.651 120.024 -0.373 17911 1419 1 3 . 1 1 62 62 ASP HA H 248 4.358 4.358 4.422 -0.064 17911 1420 1 3 . 1 1 62 62 ASP CA C 248 57.557 57.557 57.236 0.321 17911 1421 1 3 . 1 1 62 62 ASP CB C 248 40.027 40.027 40.967 -0.940 17911 1422 1 3 . 1 1 62 62 ASP H H 248 8.142 8.142 8.377 -0.235 17911 1423 1 3 . 1 1 63 63 ILE N N 249 123.545 123.545 119.496 4.049 17911 1424 1 3 . 1 1 63 63 ILE HA H 249 3.756 3.756 3.900 -0.144 17911 1425 1 3 . 1 1 63 63 ILE CA C 249 64.832 64.832 64.042 0.790 17911 1426 1 3 . 1 1 63 63 ILE CB C 249 37.817 37.817 38.188 -0.371 17911 1427 1 3 . 1 1 63 63 ILE H H 249 8.017 8.017 7.415 0.602 17911 1428 1 3 . 1 1 64 64 LEU N N 250 117.125 117.125 117.089 0.036 17911 1429 1 3 . 1 1 64 64 LEU HA H 250 4.094 4.094 4.204 -0.110 17911 1430 1 3 . 1 1 64 64 LEU CA C 250 55.004 55.004 55.353 -0.349 17911 1431 1 3 . 1 1 64 64 LEU CB C 250 42.662 42.662 41.349 1.312 17911 1432 1 3 . 1 1 64 64 LEU H H 250 7.217 7.217 7.749 -0.532 17911 1433 1 3 . 1 1 65 65 GLY N N 251 108.388 108.388 109.113 -0.725 17911 1434 1 3 . 1 1 65 65 GLY CA C 251 48.708 48.708 48.528 0.180 17911 1435 1 3 . 1 1 65 65 GLY H H 251 7.794 7.794 7.932 -0.138 17911 1436 1 3 . 1 1 66 66 PRO HA H 252 4.243 4.243 4.218 0.025 17911 1437 1 3 . 1 1 66 66 PRO CA C 252 66.036 66.036 64.965 1.071 17911 1438 1 3 . 1 1 66 66 PRO CB C 252 32.172 32.172 31.094 1.078 17911 1439 1 3 . 1 1 67 67 LEU N N 253 117.852 117.852 118.790 -0.938 17911 1440 1 3 . 1 1 67 67 LEU HA H 253 3.866 3.866 3.868 -0.002 17911 1441 1 3 . 1 1 67 67 LEU CA C 253 57.301 57.301 57.122 0.179 17911 1442 1 3 . 1 1 67 67 LEU CB C 253 40.539 40.539 40.643 -0.104 17911 1443 1 3 . 1 1 67 67 LEU H H 253 7.344 7.344 7.376 -0.032 17911 1444 1 3 . 1 1 68 68 SER N N 254 117.191 117.191 115.958 1.233 17911 1445 1 3 . 1 1 68 68 SER HA H 254 4.154 4.154 4.420 -0.266 17911 1446 1 3 . 1 1 68 68 SER CA C 254 60.705 60.705 61.471 -0.766 17911 1447 1 3 . 1 1 68 68 SER CB C 254 63.286 63.286 62.701 0.585 17911 1448 1 3 . 1 1 68 68 SER H H 254 7.883 7.883 8.102 -0.219 17911 1449 1 3 . 1 1 69 69 ALA N N 255 123.895 123.895 124.785 -0.890 17911 1450 1 3 . 1 1 69 69 ALA HA H 255 4.078 4.078 4.143 -0.065 17911 1451 1 3 . 1 1 69 69 ALA CA C 255 54.749 54.749 54.532 0.217 17911 1452 1 3 . 1 1 69 69 ALA CB C 255 17.992 17.992 18.211 -0.219 17911 1453 1 3 . 1 1 69 69 ALA H H 255 8.592 8.592 7.720 0.872 17911 1454 1 3 . 1 1 70 70 GLN N N 256 116.528 116.528 115.617 0.911 17911 1455 1 3 . 1 1 70 70 GLN HA H 256 4.011 4.011 4.181 -0.170 17911 1456 1 3 . 1 1 70 70 GLN CA C 256 58.634 58.634 57.875 0.759 17911 1457 1 3 . 1 1 70 70 GLN CB C 256 28.939 28.939 29.349 -0.410 17911 1458 1 3 . 1 1 70 70 GLN H H 256 7.744 7.744 8.077 -0.333 17911 1459 1 3 . 1 1 71 71 THR N N 257 103.056 103.056 106.638 -3.582 17911 1460 1 3 . 1 1 71 71 THR HA H 257 4.277 4.277 4.491 -0.214 17911 1461 1 3 . 1 1 71 71 THR CA C 257 62.236 62.236 61.725 0.511 17911 1462 1 3 . 1 1 71 71 THR CB C 257 72.277 72.277 71.023 1.254 17911 1463 1 3 . 1 1 71 71 THR H H 257 7.401 7.401 7.744 -0.343 17911 1464 1 3 . 1 1 72 72 GLY N N 258 111.697 111.697 110.601 1.096 17911 1465 1 3 . 1 1 72 72 GLY CA C 258 45.900 45.900 45.656 0.244 17911 1466 1 3 . 1 1 72 72 GLY H H 258 8.113 8.113 8.272 -0.159 17911 1467 1 3 . 1 1 73 73 ILE N N 259 120.078 120.078 124.471 -4.393 17911 1468 1 3 . 1 1 73 73 ILE HA H 259 4.451 4.451 4.155 0.296 17911 1469 1 3 . 1 1 73 73 ILE CA C 259 58.903 58.903 58.869 0.034 17911 1470 1 3 . 1 1 73 73 ILE CB C 259 38.497 38.497 35.760 2.737 17911 1471 1 3 . 1 1 73 73 ILE H H 259 7.598 7.598 7.656 -0.058 17911 1472 1 3 . 1 1 74 74 ALA N N 260 107.454 107.454 131.528 -24.074 17911 1473 1 3 . 1 1 74 74 ALA HA H 260 4.178 4.178 4.195 -0.017 17911 1474 1 3 . 1 1 74 74 ALA CA C 260 52.622 52.622 52.535 0.087 17911 1475 1 3 . 1 1 74 74 ALA CB C 260 18.417 18.417 19.739 -1.322 17911 1476 1 3 . 1 1 74 74 ALA H H 260 9.477 9.477 8.486 0.991 17911 1477 1 3 . 1 1 75 75 VAL N N 261 124.569 124.569 123.288 1.281 17911 1478 1 3 . 1 1 75 75 VAL HA H 261 4.095 4.095 3.863 0.232 17911 1479 1 3 . 1 1 75 75 VAL CA C 261 66.637 66.637 66.224 0.413 17911 1480 1 3 . 1 1 75 75 VAL CB C 261 31.575 31.575 31.821 -0.246 17911 1481 1 3 . 1 1 75 75 VAL H H 261 8.927 8.927 8.786 0.141 17911 1482 1 3 . 1 1 76 76 LEU N N 262 117.285 117.285 118.438 -1.153 17911 1483 1 3 . 1 1 76 76 LEU HA H 262 3.827 3.827 3.942 -0.115 17911 1484 1 3 . 1 1 76 76 LEU CA C 262 58.067 58.067 57.386 0.681 17911 1485 1 3 . 1 1 76 76 LEU CB C 262 39.774 39.774 40.790 -1.016 17911 1486 1 3 . 1 1 76 76 LEU H H 262 8.949 8.949 8.132 0.817 17911 1487 1 3 . 1 1 77 77 ASP N N 263 120.854 120.854 120.377 0.477 17911 1488 1 3 . 1 1 77 77 ASP HA H 263 4.639 4.639 4.467 0.172 17911 1489 1 3 . 1 1 77 77 ASP CA C 263 57.131 57.131 57.004 0.127 17911 1490 1 3 . 1 1 77 77 ASP CB C 263 39.178 39.178 40.745 -1.567 17911 1491 1 3 . 1 1 77 77 ASP H H 263 7.011 7.011 8.064 -1.053 17911 1492 1 3 . 1 1 78 78 MET N N 264 124.661 124.661 121.505 3.156 17911 1493 1 3 . 1 1 78 78 MET HA H 264 4.343 4.343 3.940 0.403 17911 1494 1 3 . 1 1 78 78 MET CA C 264 57.131 57.131 57.438 -0.307 17911 1495 1 3 . 1 1 78 78 MET CB C 264 31.172 31.172 31.679 -0.507 17911 1496 1 3 . 1 1 78 78 MET H H 264 8.025 8.025 7.881 0.144 17911 1497 1 3 . 1 1 79 79 CYS N N 265 117.740 117.740 118.063 -0.323 17911 1498 1 3 . 1 1 79 79 CYS HA H 265 3.534 3.534 3.675 -0.141 17911 1499 1 3 . 1 1 79 79 CYS CA C 265 64.317 64.317 63.620 0.697 17911 1500 1 3 . 1 1 79 79 CYS CB C 265 25.564 25.564 25.908 -0.344 17911 1501 1 3 . 1 1 79 79 CYS H H 265 8.703 8.703 8.551 0.152 17911 1502 1 3 . 1 1 80 80 ALA N N 266 123.346 123.346 122.075 1.271 17911 1503 1 3 . 1 1 80 80 ALA HA H 266 3.884 3.884 4.092 -0.208 17911 1504 1 3 . 1 1 80 80 ALA CA C 266 55.174 55.174 55.061 0.113 17911 1505 1 3 . 1 1 80 80 ALA CB C 266 17.911 17.911 18.174 -0.264 17911 1506 1 3 . 1 1 80 80 ALA H H 266 7.745 7.745 8.184 -0.439 17911 1507 1 3 . 1 1 81 81 ALA N N 267 122.668 122.668 122.397 0.271 17911 1508 1 3 . 1 1 81 81 ALA HA H 267 4.236 4.236 4.236 -0.000 17911 1509 1 3 . 1 1 81 81 ALA CA C 267 54.778 54.778 54.798 -0.020 17911 1510 1 3 . 1 1 81 81 ALA CB C 267 18.247 18.247 18.637 -0.390 17911 1511 1 3 . 1 1 81 81 ALA H H 267 7.513 7.513 8.231 -0.718 17911 1512 1 3 . 1 1 82 82 LEU N N 268 119.844 119.844 120.724 -0.880 17911 1513 1 3 . 1 1 82 82 LEU HA H 268 3.924 3.924 4.046 -0.122 17911 1514 1 3 . 1 1 82 82 LEU CA C 268 57.613 57.613 57.691 -0.078 17911 1515 1 3 . 1 1 82 82 LEU CB C 268 40.681 40.681 41.504 -0.823 17911 1516 1 3 . 1 1 82 82 LEU H H 268 8.304 8.304 8.538 -0.234 17911 1517 1 3 . 1 1 83 83 LYS N N 269 119.140 119.140 119.275 -0.135 17911 1518 1 3 . 1 1 83 83 LYS HA H 269 3.629 3.629 3.908 -0.279 17911 1519 1 3 . 1 1 83 83 LYS CA C 269 60.279 60.279 60.180 0.099 17911 1520 1 3 . 1 1 83 83 LYS CB C 269 33.052 33.052 32.409 0.643 17911 1521 1 3 . 1 1 83 83 LYS H H 269 8.881 8.881 8.687 0.194 17911 1522 1 3 . 1 1 84 84 GLU N N 270 116.647 116.647 119.955 -3.308 17911 1523 1 3 . 1 1 84 84 GLU HA H 270 4.085 4.085 4.141 -0.056 17911 1524 1 3 . 1 1 84 84 GLU CA C 270 58.903 58.903 59.266 -0.362 17911 1525 1 3 . 1 1 84 84 GLU CB C 270 29.223 29.223 29.797 -0.574 17911 1526 1 3 . 1 1 84 84 GLU H H 270 7.107 7.107 7.749 -0.642 17911 1527 1 3 . 1 1 85 85 LEU N N 271 120.657 120.657 120.433 0.224 17911 1528 1 3 . 1 1 85 85 LEU HA H 271 3.992 3.992 3.984 0.008 17911 1529 1 3 . 1 1 85 85 LEU CA C 271 57.872 57.872 57.947 -0.075 17911 1530 1 3 . 1 1 85 85 LEU CB C 271 42.326 42.326 41.919 0.407 17911 1531 1 3 . 1 1 85 85 LEU H H 271 7.757 7.757 8.285 -0.528 17911 1532 1 3 . 1 1 86 86 LEU N N 272 119.651 119.651 117.448 2.203 17911 1533 1 3 . 1 1 86 86 LEU HA H 272 3.535 3.535 3.694 -0.159 17911 1534 1 3 . 1 1 86 86 LEU CA C 272 57.356 57.356 57.104 0.252 17911 1535 1 3 . 1 1 86 86 LEU CB C 272 40.880 40.880 41.451 -0.571 17911 1536 1 3 . 1 1 86 86 LEU H H 272 8.336 8.336 8.600 -0.264 17911 1537 1 3 . 1 1 87 87 GLN N N 273 113.087 113.087 115.096 -2.009 17911 1538 1 3 . 1 1 87 87 GLN HA H 273 4.099 4.099 3.983 0.116 17911 1539 1 3 . 1 1 87 87 GLN CA C 273 58.387 58.387 56.898 1.490 17911 1540 1 3 . 1 1 87 87 GLN CB C 273 30.159 30.159 29.899 0.260 17911 1541 1 3 . 1 1 87 87 GLN H H 273 7.422 7.422 7.568 -0.146 17911 1542 1 3 . 1 1 88 88 ASN N N 274 113.925 113.925 114.896 -0.971 17911 1543 1 3 . 1 1 88 88 ASN HA H 274 4.921 4.921 4.870 0.051 17911 1544 1 3 . 1 1 88 88 ASN CA C 274 53.747 53.747 53.699 0.048 17911 1545 1 3 . 1 1 88 88 ASN CB C 274 40.625 40.625 41.866 -1.241 17911 1546 1 3 . 1 1 88 88 ASN H H 274 8.388 8.388 7.806 0.582 17911 1547 1 3 . 1 1 89 89 GLY N N 275 109.040 109.040 109.372 -0.332 17911 1548 1 3 . 1 1 89 89 GLY CA C 275 44.709 44.709 45.252 -0.542 17911 1549 1 3 . 1 1 89 89 GLY H H 275 7.698 7.698 8.189 -0.491 17911 1550 1 3 . 1 1 90 90 MET N N 276 115.183 115.183 115.609 -0.426 17911 1551 1 3 . 1 1 90 90 MET HA H 276 4.434 4.434 4.661 -0.227 17911 1552 1 3 . 1 1 90 90 MET CA C 276 56.791 56.791 56.082 0.709 17911 1553 1 3 . 1 1 90 90 MET CB C 276 33.637 33.637 33.494 0.143 17911 1554 1 3 . 1 1 90 90 MET H H 276 8.599 8.599 8.195 0.404 17911 1555 1 3 . 1 1 91 91 ASN N N 277 118.020 118.020 120.988 -2.968 17911 1556 1 3 . 1 1 91 91 ASN HA H 277 4.301 4.301 4.731 -0.430 17911 1557 1 3 . 1 1 91 91 ASN CA C 277 53.983 53.983 54.768 -0.785 17911 1558 1 3 . 1 1 91 91 ASN CB C 277 37.987 37.987 37.476 0.511 17911 1559 1 3 . 1 1 91 91 ASN H H 277 9.033 9.033 8.309 0.724 17911 1560 1 3 . 1 1 92 92 GLY N N 278 104.906 104.906 106.094 -1.188 17911 1561 1 3 . 1 1 92 92 GLY CA C 278 45.645 45.645 44.780 0.865 17911 1562 1 3 . 1 1 92 92 GLY H H 278 8.538 8.538 8.291 0.247 17911 1563 1 3 . 1 1 93 93 ARG N N 279 120.056 120.056 118.978 1.078 17911 1564 1 3 . 1 1 93 93 ARG HA H 279 4.237 4.237 4.646 -0.409 17911 1565 1 3 . 1 1 93 93 ARG CA C 279 55.344 55.344 54.006 1.338 17911 1566 1 3 . 1 1 93 93 ARG CB C 279 31.491 31.491 33.238 -1.747 17911 1567 1 3 . 1 1 93 93 ARG H H 279 7.257 7.257 7.725 -0.468 17911 1568 1 3 . 1 1 94 94 THR N N 280 106.223 106.223 110.686 -4.463 17911 1569 1 3 . 1 1 94 94 THR HA H 280 5.028 5.028 5.269 -0.241 17911 1570 1 3 . 1 1 94 94 THR CA C 280 59.684 59.684 60.597 -0.914 17911 1571 1 3 . 1 1 94 94 THR CB C 280 72.787 72.787 71.912 0.875 17911 1572 1 3 . 1 1 94 94 THR H H 280 7.726 7.726 8.212 -0.486 17911 1573 1 3 . 1 1 95 95 ILE N N 281 121.214 121.214 120.779 0.435 17911 1574 1 3 . 1 1 95 95 ILE HA H 281 4.301 4.301 4.672 -0.371 17911 1575 1 3 . 1 1 95 95 ILE CA C 281 62.066 62.066 61.394 0.672 17911 1576 1 3 . 1 1 95 95 ILE CB C 281 40.539 40.539 40.387 0.152 17911 1577 1 3 . 1 1 95 95 ILE H H 281 8.761 8.761 8.457 0.304 17911 1578 1 3 . 1 1 96 96 LEU N N 282 128.347 128.347 119.395 8.952 17911 1579 1 3 . 1 1 96 96 LEU HA H 282 3.850 3.850 4.389 -0.539 17911 1580 1 3 . 1 1 96 96 LEU CA C 282 55.344 55.344 54.232 1.112 17911 1581 1 3 . 1 1 96 96 LEU CB C 282 40.539 40.539 42.315 -1.776 17911 1582 1 3 . 1 1 96 96 LEU H H 282 9.905 9.905 7.609 2.296 17911 1583 1 3 . 1 1 97 97 GLY N N 283 103.322 103.322 107.122 -3.800 17911 1584 1 3 . 1 1 97 97 GLY CA C 283 45.645 45.645 45.353 0.291 17911 1585 1 3 . 1 1 97 97 GLY H H 283 8.937 8.937 8.515 0.422 17911 1586 1 3 . 1 1 98 98 SER N N 284 116.619 116.619 113.212 3.407 17911 1587 1 3 . 1 1 98 98 SER HA H 284 4.950 4.950 4.792 0.158 17911 1588 1 3 . 1 1 98 98 SER CA C 284 56.961 56.961 55.983 0.978 17911 1589 1 3 . 1 1 98 98 SER CB C 284 65.044 65.044 64.085 0.959 17911 1590 1 3 . 1 1 98 98 SER H H 284 8.612 8.612 7.857 0.755 17911 1591 1 3 . 1 1 99 99 THR N N 285 114.513 114.513 115.010 -0.497 17911 1592 1 3 . 1 1 99 99 THR HA H 285 4.598 4.598 4.815 -0.217 17911 1593 1 3 . 1 1 99 99 THR CA C 285 61.739 61.739 62.611 -0.872 17911 1594 1 3 . 1 1 99 99 THR CB C 285 69.214 69.214 69.014 0.199 17911 1595 1 3 . 1 1 99 99 THR H H 285 8.601 8.601 8.439 0.162 17911 1596 1 3 . 1 1 100 100 ILE N N 286 117.511 117.511 116.650 0.861 17911 1597 1 3 . 1 1 100 100 ILE HA H 286 4.496 4.496 4.687 -0.191 17911 1598 1 3 . 1 1 100 100 ILE CA C 286 59.173 59.173 59.694 -0.521 17911 1599 1 3 . 1 1 100 100 ILE CB C 286 41.887 41.887 40.908 0.979 17911 1600 1 3 . 1 1 100 100 ILE H H 286 7.931 7.931 7.386 0.545 17911 1601 1 3 . 1 1 101 101 LEU N N 287 121.101 121.101 115.438 5.663 17911 1602 1 3 . 1 1 101 101 LEU HA H 287 4.157 4.157 4.185 -0.028 17911 1603 1 3 . 1 1 101 101 LEU CA C 287 54.520 54.520 52.921 1.599 17911 1604 1 3 . 1 1 101 101 LEU CB C 287 40.083 40.083 43.731 -3.648 17911 1605 1 3 . 1 1 101 101 LEU H H 287 8.025 8.025 8.007 0.018 17911 1606 1 3 . 1 1 102 102 GLU HA H 288 3.720 3.720 4.258 -0.538 17911 1607 1 3 . 1 1 102 102 GLU CA C 288 55.770 55.770 54.552 1.218 17911 1608 1 3 . 1 1 102 102 GLU CB C 288 29.904 29.904 32.659 -2.755 17911 1609 1 3 . 1 1 103 103 ASP N N 289 121.287 121.287 120.635 0.652 17911 1610 1 3 . 1 1 103 103 ASP HA H 289 4.513 4.513 4.608 -0.095 17911 1611 1 3 . 1 1 103 103 ASP CA C 289 52.281 52.281 54.154 -1.873 17911 1612 1 3 . 1 1 103 103 ASP CB C 289 42.922 42.922 41.909 1.013 17911 1613 1 3 . 1 1 103 103 ASP H H 289 8.014 8.014 8.549 -0.535 17911 1614 1 3 . 1 1 104 104 GLU N N 290 118.245 118.245 120.308 -2.063 17911 1615 1 3 . 1 1 104 104 GLU HA H 290 3.904 3.904 4.104 -0.200 17911 1616 1 3 . 1 1 104 104 GLU CA C 290 57.614 57.614 58.403 -0.789 17911 1617 1 3 . 1 1 104 104 GLU CB C 290 30.499 30.499 29.941 0.558 17911 1618 1 3 . 1 1 104 104 GLU H H 290 7.432 7.432 8.437 -1.005 17911 1619 1 3 . 1 1 105 105 PHE N N 291 120.606 120.606 118.857 1.749 17911 1620 1 3 . 1 1 105 105 PHE HA H 291 4.838 4.838 4.539 0.299 17911 1621 1 3 . 1 1 105 105 PHE CA C 291 56.536 56.536 58.309 -1.773 17911 1622 1 3 . 1 1 105 105 PHE CB C 291 39.774 39.774 39.496 0.278 17911 1623 1 3 . 1 1 105 105 PHE H H 291 8.835 8.835 8.070 0.765 17911 1624 1 3 . 1 1 106 106 THR N N 292 111.349 111.349 120.598 -9.249 17911 1625 1 3 . 1 1 106 106 THR HA H 292 4.670 4.670 4.474 0.196 17911 1626 1 3 . 1 1 106 106 THR CA C 292 59.344 59.344 60.257 -0.913 17911 1627 1 3 . 1 1 106 106 THR CB C 292 69.299 69.299 69.655 -0.356 17911 1628 1 3 . 1 1 106 106 THR H H 292 8.757 8.757 8.287 0.470 17911 1629 1 3 . 1 1 107 107 PRO HA H 293 3.988 3.988 4.686 -0.698 17911 1630 1 3 . 1 1 107 107 PRO CA C 293 65.606 65.606 62.831 2.775 17911 1631 1 3 . 1 1 107 107 PRO CB C 293 31.321 31.321 32.415 -1.094 17911 1632 1 3 . 1 1 108 108 PHE N N 294 114.627 114.627 114.907 -0.280 17911 1633 1 3 . 1 1 108 108 PHE HA H 294 4.201 4.201 4.139 0.062 17911 1634 1 3 . 1 1 108 108 PHE CA C 294 59.676 59.676 59.480 0.196 17911 1635 1 3 . 1 1 108 108 PHE CB C 294 38.582 38.582 38.508 0.074 17911 1636 1 3 . 1 1 108 108 PHE H H 294 7.310 7.310 8.804 -1.494 17911 1637 1 3 . 1 1 109 109 ASP N N 295 120.210 120.210 120.478 -0.268 17911 1638 1 3 . 1 1 109 109 ASP HA H 295 4.404 4.404 4.476 -0.072 17911 1639 1 3 . 1 1 109 109 ASP CA C 295 57.098 57.098 56.624 0.474 17911 1640 1 3 . 1 1 109 109 ASP CB C 295 41.475 41.475 41.222 0.253 17911 1641 1 3 . 1 1 109 109 ASP H H 295 7.837 7.837 8.458 -0.621 17911 1642 1 3 . 1 1 110 110 VAL N N 296 119.070 119.070 113.829 5.241 17911 1643 1 3 . 1 1 110 110 VAL HA H 296 3.602 3.602 4.096 -0.494 17911 1644 1 3 . 1 1 110 110 VAL CA C 296 66.491 66.491 62.435 4.056 17911 1645 1 3 . 1 1 110 110 VAL CB C 296 31.605 31.605 30.627 0.978 17911 1646 1 3 . 1 1 110 110 VAL H H 296 7.945 7.945 7.840 0.105 17911 1647 1 3 . 1 1 111 111 VAL N N 297 119.540 119.540 114.694 4.846 17911 1648 1 3 . 1 1 111 111 VAL HA H 297 3.601 3.601 3.797 -0.196 17911 1649 1 3 . 1 1 111 111 VAL CA C 297 66.379 66.379 63.124 3.255 17911 1650 1 3 . 1 1 111 111 VAL CB C 297 31.605 31.605 31.376 0.229 17911 1651 1 3 . 1 1 111 111 VAL H H 297 8.109 8.109 7.079 1.030 17911 1652 1 3 . 1 1 112 112 ARG N N 298 119.680 119.680 120.004 -0.324 17911 1653 1 3 . 1 1 112 112 ARG HA H 298 4.010 4.010 4.175 -0.165 17911 1654 1 3 . 1 1 112 112 ARG CA C 298 58.634 58.634 56.455 2.179 17911 1655 1 3 . 1 1 112 112 ARG CB C 298 30.028 30.028 30.437 -0.409 17911 1656 1 3 . 1 1 112 112 ARG H H 298 7.710 7.710 7.358 0.352 17911 1657 1 3 . 1 1 113 113 GLN N N 299 117.786 117.786 120.840 -3.054 17911 1658 1 3 . 1 1 113 113 GLN HA H 299 4.158 4.158 4.173 -0.015 17911 1659 1 3 . 1 1 113 113 GLN CA C 299 57.557 57.557 56.517 1.040 17911 1660 1 3 . 1 1 113 113 GLN CB C 299 29.308 29.308 27.019 2.289 17911 1661 1 3 . 1 1 113 113 GLN H H 299 8.033 8.033 8.864 -0.831 17911 1662 1 3 . 1 1 114 114 CYS N N 300 115.786 115.786 120.994 -5.208 17911 1663 1 3 . 1 1 114 114 CYS HA H 300 4.470 4.470 4.528 -0.058 17911 1664 1 3 . 1 1 114 114 CYS CA C 300 59.934 59.934 59.010 0.924 17911 1665 1 3 . 1 1 114 114 CYS CB C 300 28.293 28.293 25.950 2.343 17911 1666 1 3 . 1 1 114 114 CYS H H 300 8.071 8.071 8.237 -0.166 17911 1667 1 3 . 1 1 115 115 SER N N 301 116.258 116.258 115.960 0.298 17911 1668 1 3 . 1 1 115 115 SER HA H 301 4.407 4.407 4.283 0.124 17911 1669 1 3 . 1 1 115 115 SER CA C 301 59.485 59.485 60.707 -1.222 17911 1670 1 3 . 1 1 115 115 SER CB C 301 63.286 63.286 63.412 -0.126 17911 1671 1 3 . 1 1 115 115 SER H H 301 7.883 7.883 8.126 -0.243 17911 1672 1 3 . 1 1 116 116 GLY N N 302 110.709 110.709 106.483 4.226 17911 1673 1 3 . 1 1 116 116 GLY CA C 302 45.239 45.239 44.961 0.279 17911 1674 1 3 . 1 1 116 116 GLY H H 302 8.355 8.355 7.791 0.564 17911 1675 1 3 . 1 1 117 117 VAL N N 303 119.189 119.189 116.422 2.767 17911 1676 1 3 . 1 1 117 117 VAL HA H 303 4.057 4.057 3.903 0.154 17911 1677 1 3 . 1 1 117 117 VAL CA C 303 62.236 62.236 64.096 -1.860 17911 1678 1 3 . 1 1 117 117 VAL CB C 303 32.626 32.626 31.811 0.815 17911 1679 1 3 . 1 1 117 117 VAL H H 303 7.710 7.710 7.811 -0.101 17911 1680 1 3 . 1 1 118 118 THR N N 304 118.009 118.009 109.198 8.811 17911 1681 1 3 . 1 1 118 118 THR HA H 304 4.279 4.279 4.116 0.163 17911 1682 1 3 . 1 1 118 118 THR CA C 304 61.556 61.556 60.771 0.785 17911 1683 1 3 . 1 1 118 118 THR CB C 304 69.894 69.894 71.502 -1.608 17911 1684 1 3 . 1 1 118 118 THR H H 304 8.109 8.109 7.013 1.096 17911 1685 1 3 . 1 1 119 119 PHE N N 305 123.287 123.287 118.905 4.382 17911 1686 1 3 . 1 1 119 119 PHE HA H 305 4.605 4.605 4.760 -0.155 17911 1687 1 3 . 1 1 119 119 PHE CA C 305 57.727 57.727 58.378 -0.651 17911 1688 1 3 . 1 1 119 119 PHE CB C 305 39.859 39.859 40.900 -1.041 17911 1689 1 3 . 1 1 119 119 PHE H H 305 8.298 8.298 8.472 -0.174 17911 1690 1 4 . 1 1 2 2 ARG N N 188 121.886 121.886 121.367 0.519 17911 1691 1 4 . 1 1 2 2 ARG HA H 188 4.242 4.242 4.125 0.117 17911 1692 1 4 . 1 1 2 2 ARG CA C 188 56.487 56.487 58.755 -2.268 17911 1693 1 4 . 1 1 2 2 ARG CB C 188 30.857 30.857 30.379 0.478 17911 1694 1 4 . 1 1 2 2 ARG H H 188 8.475 8.475 8.563 -0.088 17911 1695 1 4 . 1 1 3 3 GLN N N 189 121.336 121.336 118.686 2.650 17911 1696 1 4 . 1 1 3 3 GLN HA H 189 4.302 4.302 4.266 0.036 17911 1697 1 4 . 1 1 3 3 GLN CA C 189 56.366 56.366 58.910 -2.544 17911 1698 1 4 . 1 1 3 3 GLN CB C 189 29.254 29.254 28.612 0.642 17911 1699 1 4 . 1 1 3 3 GLN H H 189 8.553 8.553 8.359 0.194 17911 1700 1 4 . 1 1 4 4 THR N N 190 115.273 115.273 113.481 1.792 17911 1701 1 4 . 1 1 4 4 THR HA H 190 4.275 4.275 4.126 0.149 17911 1702 1 4 . 1 1 4 4 THR CA C 190 62.066 62.066 64.698 -2.632 17911 1703 1 4 . 1 1 4 4 THR CB C 190 69.894 69.894 68.298 1.596 17911 1704 1 4 . 1 1 4 4 THR H H 190 8.123 8.123 7.957 0.166 17911 1705 1 4 . 1 1 5 5 ALA N N 191 126.029 126.029 123.579 2.450 17911 1706 1 4 . 1 1 5 5 ALA HA H 191 4.247 4.247 4.180 0.067 17911 1707 1 4 . 1 1 5 5 ALA CA C 191 52.537 52.537 54.109 -1.572 17911 1708 1 4 . 1 1 5 5 ALA CB C 191 19.183 19.183 18.266 0.917 17911 1709 1 4 . 1 1 5 5 ALA H H 191 8.284 8.284 8.093 0.191 17911 1710 1 4 . 1 1 6 6 GLN N N 192 119.614 119.614 114.944 4.670 17911 1711 1 4 . 1 1 6 6 GLN HA H 192 4.217 4.217 4.619 -0.402 17911 1712 1 4 . 1 1 6 6 GLN CA C 192 55.685 55.685 54.899 0.786 17911 1713 1 4 . 1 1 6 6 GLN CB C 192 29.513 29.513 29.720 -0.207 17911 1714 1 4 . 1 1 6 6 GLN H H 192 8.287 8.287 7.561 0.726 17911 1715 1 4 . 1 1 7 7 ALA N N 193 125.571 125.571 122.950 2.621 17911 1716 1 4 . 1 1 7 7 ALA HA H 193 4.246 4.246 4.181 0.065 17911 1717 1 4 . 1 1 7 7 ALA CA C 193 52.537 52.537 54.045 -1.508 17911 1718 1 4 . 1 1 7 7 ALA CB C 193 19.268 19.268 19.079 0.189 17911 1719 1 4 . 1 1 7 7 ALA H H 193 8.271 8.271 7.579 0.692 17911 1720 1 4 . 1 1 8 8 ALA N N 194 123.461 123.461 117.279 6.182 17911 1721 1 4 . 1 1 8 8 ALA HA H 194 4.250 4.250 4.388 -0.138 17911 1722 1 4 . 1 1 8 8 ALA CA C 194 52.593 52.593 51.446 1.147 17911 1723 1 4 . 1 1 8 8 ALA CB C 194 19.324 19.324 20.273 -0.949 17911 1724 1 4 . 1 1 8 8 ALA H H 194 8.275 8.275 7.383 0.892 17911 1725 1 4 . 1 1 9 9 GLY N N 195 108.312 108.312 110.615 -2.303 17911 1726 1 4 . 1 1 9 9 GLY CA C 195 45.219 45.219 46.780 -1.561 17911 1727 1 4 . 1 1 9 9 GLY H H 195 8.328 8.328 9.039 -0.711 17911 1728 1 4 . 1 1 10 10 THR N N 196 112.710 112.710 113.545 -0.835 17911 1729 1 4 . 1 1 10 10 THR HA H 196 4.334 4.334 4.334 -0.000 17911 1730 1 4 . 1 1 10 10 THR CA C 196 61.471 61.471 62.748 -1.278 17911 1731 1 4 . 1 1 10 10 THR CB C 196 69.894 69.894 69.506 0.388 17911 1732 1 4 . 1 1 10 10 THR H H 196 7.998 7.998 7.843 0.155 17911 1733 1 4 . 1 1 11 11 ASP N N 197 122.862 122.862 121.293 1.569 17911 1734 1 4 . 1 1 11 11 ASP HA H 197 4.609 4.609 4.827 -0.218 17911 1735 1 4 . 1 1 11 11 ASP CA C 197 54.262 54.262 52.603 1.659 17911 1736 1 4 . 1 1 11 11 ASP CB C 197 41.135 41.135 43.462 -2.327 17911 1737 1 4 . 1 1 11 11 ASP H H 197 8.404 8.404 7.830 0.574 17911 1738 1 4 . 1 1 12 12 THR N N 198 114.709 114.709 112.269 2.440 17911 1739 1 4 . 1 1 12 12 THR HA H 198 4.400 4.400 5.151 -0.751 17911 1740 1 4 . 1 1 12 12 THR CA C 198 61.223 61.223 60.541 0.682 17911 1741 1 4 . 1 1 12 12 THR CB C 198 70.490 70.490 70.584 -0.094 17911 1742 1 4 . 1 1 12 12 THR H H 198 7.895 7.895 8.140 -0.245 17911 1743 1 4 . 1 1 13 13 THR N N 199 122.785 122.785 116.987 5.798 17911 1744 1 4 . 1 1 13 13 THR HA H 199 3.961 3.961 4.502 -0.541 17911 1745 1 4 . 1 1 13 13 THR CA C 199 63.286 63.286 61.417 1.869 17911 1746 1 4 . 1 1 13 13 THR CB C 199 68.958 68.958 71.061 -2.103 17911 1747 1 4 . 1 1 13 13 THR H H 199 8.354 8.354 7.874 0.480 17911 1748 1 4 . 1 1 14 14 ILE N N 200 127.902 127.902 129.555 -1.653 17911 1749 1 4 . 1 1 14 14 ILE HA H 200 3.807 3.807 4.238 -0.431 17911 1750 1 4 . 1 1 14 14 ILE CA C 200 60.965 60.965 61.384 -0.419 17911 1751 1 4 . 1 1 14 14 ILE CB C 200 35.860 35.860 35.888 -0.028 17911 1752 1 4 . 1 1 14 14 ILE H H 200 9.362 9.362 9.306 0.056 17911 1753 1 4 . 1 1 15 15 THR N N 201 130.379 130.379 123.474 6.905 17911 1754 1 4 . 1 1 15 15 THR HA H 201 3.521 3.521 4.037 -0.516 17911 1755 1 4 . 1 1 15 15 THR CA C 201 66.637 66.637 67.170 -0.533 17911 1756 1 4 . 1 1 15 15 THR CB C 201 67.411 67.411 68.541 -1.130 17911 1757 1 4 . 1 1 15 15 THR H H 201 7.834 7.834 8.218 -0.384 17911 1758 1 4 . 1 1 16 16 LEU N N 202 120.049 120.049 121.189 -1.140 17911 1759 1 4 . 1 1 16 16 LEU HA H 202 3.715 3.715 4.064 -0.349 17911 1760 1 4 . 1 1 16 16 LEU CA C 202 58.387 58.387 58.577 -0.190 17911 1761 1 4 . 1 1 16 16 LEU CB C 202 43.148 43.148 41.220 1.928 17911 1762 1 4 . 1 1 16 16 LEU H H 202 8.913 8.913 8.488 0.425 17911 1763 1 4 . 1 1 17 17 ASN N N 203 117.390 117.390 117.736 -0.346 17911 1764 1 4 . 1 1 17 17 ASN HA H 203 4.594 4.594 4.651 -0.057 17911 1765 1 4 . 1 1 17 17 ASN CA C 203 54.520 54.520 56.078 -1.558 17911 1766 1 4 . 1 1 17 17 ASN CB C 203 37.246 37.246 37.922 -0.676 17911 1767 1 4 . 1 1 17 17 ASN H H 203 6.926 6.926 8.020 -1.094 17911 1768 1 4 . 1 1 18 18 VAL N N 204 123.434 123.434 122.414 1.020 17911 1769 1 4 . 1 1 18 18 VAL HA H 204 4.242 4.242 4.086 0.156 17911 1770 1 4 . 1 1 18 18 VAL CA C 204 66.236 66.236 66.687 -0.451 17911 1771 1 4 . 1 1 18 18 VAL CB C 204 31.605 31.605 31.769 -0.164 17911 1772 1 4 . 1 1 18 18 VAL H H 204 7.660 7.660 7.822 -0.162 17911 1773 1 4 . 1 1 19 19 LEU N N 205 117.301 117.301 120.258 -2.957 17911 1774 1 4 . 1 1 19 19 LEU HA H 205 3.945 3.945 3.879 0.066 17911 1775 1 4 . 1 1 19 19 LEU CA C 205 58.408 58.408 58.490 -0.082 17911 1776 1 4 . 1 1 19 19 LEU CB C 205 42.918 42.918 41.113 1.805 17911 1777 1 4 . 1 1 19 19 LEU H H 205 8.573 8.573 8.536 0.037 17911 1778 1 4 . 1 1 20 20 ALA N N 206 120.290 120.290 121.972 -1.682 17911 1779 1 4 . 1 1 20 20 ALA HA H 206 4.012 4.012 4.196 -0.184 17911 1780 1 4 . 1 1 20 20 ALA CA C 206 56.195 56.195 55.257 0.938 17911 1781 1 4 . 1 1 20 20 ALA CB C 206 17.911 17.911 18.154 -0.243 17911 1782 1 4 . 1 1 20 20 ALA H H 206 8.188 8.188 8.529 -0.341 17911 1783 1 4 . 1 1 21 21 TRP N N 207 121.219 121.219 120.892 0.327 17911 1784 1 4 . 1 1 21 21 TRP HA H 207 4.110 4.110 4.176 -0.066 17911 1785 1 4 . 1 1 21 21 TRP CA C 207 61.224 61.224 62.392 -1.167 17911 1786 1 4 . 1 1 21 21 TRP CB C 207 28.712 28.712 29.380 -0.668 17911 1787 1 4 . 1 1 21 21 TRP H H 207 8.406 8.406 8.440 -0.034 17911 1788 1 4 . 1 1 22 22 LEU HA H 208 3.517 3.517 3.645 -0.128 17911 1789 1 4 . 1 1 22 22 LEU CA C 208 57.897 57.897 57.940 -0.043 17911 1790 1 4 . 1 1 22 22 LEU CB C 208 40.880 40.880 41.347 -0.467 17911 1791 1 4 . 1 1 22 22 LEU H H 208 8.620 8.620 8.701 -0.081 17911 1792 1 4 . 1 1 23 23 TYR N N 209 117.656 117.656 119.238 -1.582 17911 1793 1 4 . 1 1 23 23 TYR HA H 209 3.956 3.956 4.106 -0.150 17911 1794 1 4 . 1 1 23 23 TYR CA C 209 64.704 64.704 62.011 2.693 17911 1795 1 4 . 1 1 23 23 TYR CB C 209 38.793 38.793 37.597 1.196 17911 1796 1 4 . 1 1 23 23 TYR H H 209 8.368 8.368 8.586 -0.218 17911 1797 1 4 . 1 1 24 24 ALA N N 210 122.658 122.658 121.313 1.345 17911 1798 1 4 . 1 1 24 24 ALA HA H 210 3.837 3.837 3.819 0.018 17911 1799 1 4 . 1 1 24 24 ALA CA C 210 55.036 55.036 54.882 0.154 17911 1800 1 4 . 1 1 24 24 ALA CB C 210 17.311 17.311 17.640 -0.329 17911 1801 1 4 . 1 1 24 24 ALA H H 210 8.461 8.461 8.249 0.212 17911 1802 1 4 . 1 1 25 25 ALA N N 211 123.868 123.868 121.729 2.139 17911 1803 1 4 . 1 1 25 25 ALA HA H 211 3.761 3.761 3.732 0.029 17911 1804 1 4 . 1 1 25 25 ALA CA C 211 55.551 55.551 54.799 0.752 17911 1805 1 4 . 1 1 25 25 ALA CB C 211 17.992 17.992 18.168 -0.176 17911 1806 1 4 . 1 1 25 25 ALA H H 211 8.564 8.564 7.749 0.815 17911 1807 1 4 . 1 1 26 26 VAL N N 212 119.783 119.783 119.409 0.374 17911 1808 1 4 . 1 1 26 26 VAL HA H 212 3.487 3.487 3.662 -0.175 17911 1809 1 4 . 1 1 26 26 VAL CA C 212 66.576 66.576 66.659 -0.083 17911 1810 1 4 . 1 1 26 26 VAL CB C 212 31.575 31.575 31.571 0.004 17911 1811 1 4 . 1 1 26 26 VAL H H 212 8.008 8.008 8.085 -0.077 17911 1812 1 4 . 1 1 27 27 ILE N N 213 124.428 124.428 118.261 6.167 17911 1813 1 4 . 1 1 27 27 ILE HA H 213 3.559 3.559 3.670 -0.111 17911 1814 1 4 . 1 1 27 27 ILE CA C 213 65.526 65.526 64.487 1.039 17911 1815 1 4 . 1 1 27 27 ILE CB C 213 37.902 37.902 37.582 0.320 17911 1816 1 4 . 1 1 27 27 ILE H H 213 8.576 8.576 8.245 0.331 17911 1817 1 4 . 1 1 28 28 ASN N N 214 116.563 116.563 116.124 0.439 17911 1818 1 4 . 1 1 28 28 ASN HA H 214 4.565 4.565 4.594 -0.029 17911 1819 1 4 . 1 1 28 28 ASN CA C 214 54.579 54.579 54.872 -0.293 17911 1820 1 4 . 1 1 28 28 ASN CB C 214 40.340 40.340 40.321 0.019 17911 1821 1 4 . 1 1 28 28 ASN H H 214 7.714 7.714 8.035 -0.321 17911 1822 1 4 . 1 1 29 29 GLY N N 215 107.004 107.004 106.384 0.620 17911 1823 1 4 . 1 1 29 29 GLY CA C 215 45.683 45.683 44.973 0.710 17911 1824 1 4 . 1 1 29 29 GLY H H 215 7.861 7.861 8.351 -0.490 17911 1825 1 4 . 1 1 30 30 ASP N N 216 125.780 125.780 124.594 1.186 17911 1826 1 4 . 1 1 30 30 ASP HA H 216 5.019 5.019 4.649 0.370 17911 1827 1 4 . 1 1 30 30 ASP CA C 216 53.643 53.643 54.984 -1.341 17911 1828 1 4 . 1 1 30 30 ASP CB C 216 41.561 41.561 40.331 1.230 17911 1829 1 4 . 1 1 30 30 ASP H H 216 8.560 8.560 7.867 0.693 17911 1830 1 4 . 1 1 31 31 ARG N N 217 115.297 115.297 120.693 -5.396 17911 1831 1 4 . 1 1 31 31 ARG HA H 217 3.711 3.711 3.088 0.623 17911 1832 1 4 . 1 1 31 31 ARG CA C 217 54.520 54.520 55.169 -0.649 17911 1833 1 4 . 1 1 31 31 ARG CB C 217 32.116 32.116 30.900 1.216 17911 1834 1 4 . 1 1 31 31 ARG H H 217 7.984 7.984 7.467 0.517 17911 1835 1 4 . 1 1 32 32 TRP N N 218 119.754 119.754 119.998 -0.244 17911 1836 1 4 . 1 1 32 32 TRP HA H 218 4.120 4.120 4.275 -0.155 17911 1837 1 4 . 1 1 32 32 TRP CA C 218 58.387 58.387 57.640 0.747 17911 1838 1 4 . 1 1 32 32 TRP CB C 218 28.372 28.372 28.101 0.272 17911 1839 1 4 . 1 1 32 32 TRP H H 218 7.368 7.368 7.290 0.078 17911 1840 1 4 . 1 1 33 33 PHE HA H 219 3.919 3.919 4.607 -0.688 17911 1841 1 4 . 1 1 33 33 PHE CA C 219 55.315 55.315 56.082 -0.767 17911 1842 1 4 . 1 1 33 33 PHE CB C 219 37.277 37.277 37.471 -0.194 17911 1843 1 4 . 1 1 34 34 LEU N N 220 122.632 122.632 121.054 1.578 17911 1844 1 4 . 1 1 34 34 LEU HA H 220 3.931 3.931 4.081 -0.150 17911 1845 1 4 . 1 1 34 34 LEU CA C 220 55.315 55.315 55.252 0.063 17911 1846 1 4 . 1 1 34 34 LEU CB C 220 40.790 40.790 41.967 -1.177 17911 1847 1 4 . 1 1 34 34 LEU H H 220 6.447 6.447 7.119 -0.672 17911 1848 1 4 . 1 1 35 35 ASN N N 221 119.503 119.503 119.298 0.205 17911 1849 1 4 . 1 1 35 35 ASN HA H 221 4.709 4.709 4.801 -0.092 17911 1850 1 4 . 1 1 35 35 ASN CA C 221 52.026 52.026 51.979 0.047 17911 1851 1 4 . 1 1 35 35 ASN CB C 221 40.598 40.598 40.282 0.316 17911 1852 1 4 . 1 1 35 35 ASN H H 221 8.105 8.105 8.351 -0.246 17911 1853 1 4 . 1 1 36 36 ARG N N 222 116.408 116.408 118.615 -2.207 17911 1854 1 4 . 1 1 36 36 ARG HA H 222 4.293 4.293 4.186 0.107 17911 1855 1 4 . 1 1 36 36 ARG CA C 222 55.600 55.600 56.522 -0.922 17911 1856 1 4 . 1 1 36 36 ARG CB C 222 28.997 28.997 29.239 -0.242 17911 1857 1 4 . 1 1 36 36 ARG H H 222 8.099 8.099 8.360 -0.261 17911 1858 1 4 . 1 1 37 37 PHE N N 223 120.398 120.398 117.856 2.542 17911 1859 1 4 . 1 1 37 37 PHE HA H 223 4.813 4.813 4.922 -0.109 17911 1860 1 4 . 1 1 37 37 PHE CA C 223 56.081 56.081 55.961 0.120 17911 1861 1 4 . 1 1 37 37 PHE CB C 223 40.085 40.085 41.466 -1.381 17911 1862 1 4 . 1 1 37 37 PHE H H 223 7.842 7.842 7.423 0.419 17911 1863 1 4 . 1 1 38 38 THR N N 224 112.040 112.040 111.757 0.283 17911 1864 1 4 . 1 1 38 38 THR HA H 224 4.653 4.653 4.813 -0.160 17911 1865 1 4 . 1 1 38 38 THR CA C 224 60.708 60.708 60.225 0.483 17911 1866 1 4 . 1 1 38 38 THR CB C 224 71.000 71.000 70.604 0.396 17911 1867 1 4 . 1 1 38 38 THR H H 224 8.231 8.231 8.391 -0.160 17911 1868 1 4 . 1 1 39 39 THR N N 225 116.627 116.627 115.525 1.102 17911 1869 1 4 . 1 1 39 39 THR HA H 225 4.925 4.925 4.700 0.225 17911 1870 1 4 . 1 1 39 39 THR CA C 225 59.677 59.677 60.115 -0.438 17911 1871 1 4 . 1 1 39 39 THR CB C 225 69.989 69.989 70.398 -0.409 17911 1872 1 4 . 1 1 39 39 THR H H 225 8.107 8.107 8.214 -0.107 17911 1873 1 4 . 1 1 40 40 THR N N 226 111.263 111.263 116.677 -5.414 17911 1874 1 4 . 1 1 40 40 THR HA H 226 4.727 4.727 4.519 0.208 17911 1875 1 4 . 1 1 40 40 THR CA C 226 59.740 59.740 61.732 -1.992 17911 1876 1 4 . 1 1 40 40 THR CB C 226 72.052 72.052 70.291 1.761 17911 1877 1 4 . 1 1 40 40 THR H H 226 8.481 8.481 8.293 0.188 17911 1878 1 4 . 1 1 41 41 LEU N N 227 123.989 123.989 125.161 -1.172 17911 1879 1 4 . 1 1 41 41 LEU HA H 227 3.986 3.986 4.163 -0.177 17911 1880 1 4 . 1 1 41 41 LEU CA C 227 58.903 58.903 58.490 0.413 17911 1881 1 4 . 1 1 41 41 LEU CB C 227 41.561 41.561 42.177 -0.616 17911 1882 1 4 . 1 1 41 41 LEU H H 227 9.259 9.259 8.783 0.476 17911 1883 1 4 . 1 1 42 42 ASN N N 228 115.183 115.183 116.931 -1.748 17911 1884 1 4 . 1 1 42 42 ASN HA H 228 4.435 4.435 4.417 0.018 17911 1885 1 4 . 1 1 42 42 ASN CA C 228 56.961 56.961 57.305 -0.344 17911 1886 1 4 . 1 1 42 42 ASN CB C 228 38.497 38.497 38.150 0.347 17911 1887 1 4 . 1 1 42 42 ASN H H 228 8.598 8.598 8.485 0.113 17911 1888 1 4 . 1 1 43 43 ASP N N 229 118.746 118.746 120.305 -1.559 17911 1889 1 4 . 1 1 43 43 ASP HA H 229 4.367 4.367 4.437 -0.070 17911 1890 1 4 . 1 1 43 43 ASP CA C 229 57.387 57.387 57.195 0.192 17911 1891 1 4 . 1 1 43 43 ASP CB C 229 40.625 40.625 40.922 -0.297 17911 1892 1 4 . 1 1 43 43 ASP H H 229 7.847 7.847 7.936 -0.089 17911 1893 1 4 . 1 1 44 44 PHE N N 230 120.193 120.193 121.043 -0.850 17911 1894 1 4 . 1 1 44 44 PHE HA H 230 3.808 3.808 4.103 -0.295 17911 1895 1 4 . 1 1 44 44 PHE CA C 230 62.747 62.747 61.810 0.937 17911 1896 1 4 . 1 1 44 44 PHE CB C 230 38.753 38.753 39.215 -0.462 17911 1897 1 4 . 1 1 44 44 PHE H H 230 8.547 8.547 8.417 0.130 17911 1898 1 4 . 1 1 45 45 ASN N N 231 118.852 118.852 118.435 0.417 17911 1899 1 4 . 1 1 45 45 ASN HA H 231 4.472 4.472 4.252 0.220 17911 1900 1 4 . 1 1 45 45 ASN CA C 231 55.344 55.344 56.190 -0.846 17911 1901 1 4 . 1 1 45 45 ASN CB C 231 37.391 37.391 38.069 -0.678 17911 1902 1 4 . 1 1 45 45 ASN H H 231 8.727 8.727 8.546 0.181 17911 1903 1 4 . 1 1 46 46 LEU N N 232 120.221 120.221 120.817 -0.596 17911 1904 1 4 . 1 1 46 46 LEU HA H 232 4.065 4.065 4.012 0.053 17911 1905 1 4 . 1 1 46 46 LEU CA C 232 58.152 58.152 58.173 -0.021 17911 1906 1 4 . 1 1 46 46 LEU CB C 232 42.071 42.071 41.779 0.292 17911 1907 1 4 . 1 1 46 46 LEU H H 232 7.516 7.516 8.473 -0.957 17911 1908 1 4 . 1 1 47 47 VAL N N 233 119.649 119.649 118.838 0.811 17911 1909 1 4 . 1 1 47 47 VAL HA H 233 3.604 3.604 3.551 0.053 17911 1910 1 4 . 1 1 47 47 VAL CA C 233 65.864 65.864 66.213 -0.349 17911 1911 1 4 . 1 1 47 47 VAL CB C 233 31.575 31.575 31.199 0.376 17911 1912 1 4 . 1 1 47 47 VAL H H 233 6.987 6.987 7.854 -0.867 17911 1913 1 4 . 1 1 48 48 ALA N N 234 122.056 122.056 122.053 0.003 17911 1914 1 4 . 1 1 48 48 ALA HA H 234 3.451 3.451 3.838 -0.387 17911 1915 1 4 . 1 1 48 48 ALA CA C 234 55.741 55.741 55.052 0.689 17911 1916 1 4 . 1 1 48 48 ALA CB C 234 16.971 16.971 18.136 -1.165 17911 1917 1 4 . 1 1 48 48 ALA H H 234 8.480 8.480 8.119 0.361 17911 1918 1 4 . 1 1 49 49 MET N N 235 114.180 114.180 118.237 -4.057 17911 1919 1 4 . 1 1 49 49 MET HA H 235 4.272 4.272 4.037 0.235 17911 1920 1 4 . 1 1 49 49 MET CA C 235 59.003 59.003 59.137 -0.134 17911 1921 1 4 . 1 1 49 49 MET CB C 235 32.967 32.967 32.519 0.448 17911 1922 1 4 . 1 1 49 49 MET H H 235 7.950 7.950 8.445 -0.495 17911 1923 1 4 . 1 1 50 50 LYS N N 236 120.217 120.217 119.975 0.242 17911 1924 1 4 . 1 1 50 50 LYS HA H 236 3.945 3.945 3.820 0.125 17911 1925 1 4 . 1 1 50 50 LYS CA C 236 58.378 58.378 58.608 -0.230 17911 1926 1 4 . 1 1 50 50 LYS CB C 236 31.833 31.833 32.315 -0.482 17911 1927 1 4 . 1 1 50 50 LYS H H 236 7.378 7.378 7.978 -0.600 17911 1928 1 4 . 1 1 51 51 TYR N N 237 115.853 115.853 114.388 1.465 17911 1929 1 4 . 1 1 51 51 TYR HA H 237 4.462 4.462 4.660 -0.198 17911 1930 1 4 . 1 1 51 51 TYR CA C 237 58.293 58.293 56.575 1.718 17911 1931 1 4 . 1 1 51 51 TYR CB C 237 38.668 38.668 38.249 0.419 17911 1932 1 4 . 1 1 51 51 TYR H H 237 7.392 7.392 7.381 0.011 17911 1933 1 4 . 1 1 52 52 ASN N N 238 115.965 115.965 116.389 -0.424 17911 1934 1 4 . 1 1 52 52 ASN HA H 238 4.403 4.403 4.374 0.029 17911 1935 1 4 . 1 1 52 52 ASN CA C 238 54.834 54.834 54.440 0.394 17911 1936 1 4 . 1 1 52 52 ASN CB C 238 36.881 36.881 37.665 -0.784 17911 1937 1 4 . 1 1 52 52 ASN H H 238 7.914 7.914 7.911 0.003 17911 1938 1 4 . 1 1 53 53 TYR N N 239 120.379 120.379 118.107 2.272 17911 1939 1 4 . 1 1 53 53 TYR HA H 239 4.675 4.675 4.476 0.199 17911 1940 1 4 . 1 1 53 53 TYR CA C 239 57.387 57.387 58.879 -1.492 17911 1941 1 4 . 1 1 53 53 TYR CB C 239 37.788 37.788 38.538 -0.750 17911 1942 1 4 . 1 1 53 53 TYR H H 239 8.341 8.341 8.163 0.178 17911 1943 1 4 . 1 1 54 54 GLU N N 240 122.559 122.559 122.859 -0.300 17911 1944 1 4 . 1 1 54 54 GLU HA H 240 4.317 4.317 4.331 -0.014 17911 1945 1 4 . 1 1 54 54 GLU CA C 240 54.579 54.579 55.814 -1.235 17911 1946 1 4 . 1 1 54 54 GLU CB C 240 30.802 30.802 29.711 1.091 17911 1947 1 4 . 1 1 54 54 GLU H H 240 8.114 8.114 8.610 -0.496 17911 1948 1 4 . 1 1 55 55 PRO HA H 241 4.314 4.314 4.455 -0.141 17911 1949 1 4 . 1 1 55 55 PRO CA C 241 62.973 62.973 62.738 0.235 17911 1950 1 4 . 1 1 55 55 PRO CB C 241 31.917 31.917 32.491 -0.574 17911 1951 1 4 . 1 1 56 56 LEU N N 242 124.468 124.468 121.353 3.115 17911 1952 1 4 . 1 1 56 56 LEU HA H 242 5.200 5.200 4.678 0.522 17911 1953 1 4 . 1 1 56 56 LEU CA C 242 53.747 53.747 54.020 -0.273 17911 1954 1 4 . 1 1 56 56 LEU CB C 242 45.560 45.560 46.076 -0.516 17911 1955 1 4 . 1 1 56 56 LEU H H 242 9.650 9.650 9.292 0.358 17911 1956 1 4 . 1 1 57 57 THR N N 243 116.700 116.700 114.120 2.580 17911 1957 1 4 . 1 1 57 57 THR HA H 243 4.664 4.664 4.762 -0.098 17911 1958 1 4 . 1 1 57 57 THR CA C 243 59.429 59.429 60.214 -0.785 17911 1959 1 4 . 1 1 57 57 THR CB C 243 71.851 71.851 71.746 0.105 17911 1960 1 4 . 1 1 57 57 THR H H 243 9.279 9.279 8.552 0.727 17911 1961 1 4 . 1 1 58 58 GLN N N 244 119.764 119.764 121.028 -1.264 17911 1962 1 4 . 1 1 58 58 GLN HA H 244 3.827 3.827 4.053 -0.226 17911 1963 1 4 . 1 1 58 58 GLN CA C 244 58.130 58.130 59.865 -1.735 17911 1964 1 4 . 1 1 58 58 GLN CB C 244 27.777 27.777 28.346 -0.569 17911 1965 1 4 . 1 1 58 58 GLN H H 244 8.959 8.959 8.894 0.065 17911 1966 1 4 . 1 1 59 59 ASP N N 245 117.059 117.059 117.362 -0.303 17911 1967 1 4 . 1 1 59 59 ASP HA H 245 4.325 4.325 4.345 -0.020 17911 1968 1 4 . 1 1 59 59 ASP CA C 245 57.301 57.301 57.146 0.155 17911 1969 1 4 . 1 1 59 59 ASP CB C 245 40.029 40.029 40.486 -0.457 17911 1970 1 4 . 1 1 59 59 ASP H H 245 7.838 7.838 8.788 -0.950 17911 1971 1 4 . 1 1 60 60 HIS N N 246 119.076 119.076 118.813 0.263 17911 1972 1 4 . 1 1 60 60 HIS HA H 246 4.296 4.296 4.384 -0.088 17911 1973 1 4 . 1 1 60 60 HIS CA C 246 58.645 58.645 59.210 -0.565 17911 1974 1 4 . 1 1 60 60 HIS CB C 246 32.864 32.864 29.993 2.871 17911 1975 1 4 . 1 1 60 60 HIS H H 246 7.333 7.333 7.500 -0.167 17911 1976 1 4 . 1 1 61 61 VAL N N 247 118.215 118.215 119.789 -1.574 17911 1977 1 4 . 1 1 61 61 VAL HA H 247 3.400 3.400 3.699 -0.299 17911 1978 1 4 . 1 1 61 61 VAL CA C 247 67.257 67.257 66.836 0.421 17911 1979 1 4 . 1 1 61 61 VAL CB C 247 31.010 31.010 31.642 -0.632 17911 1980 1 4 . 1 1 61 61 VAL H H 247 7.565 7.565 8.329 -0.764 17911 1981 1 4 . 1 1 62 62 ASP N N 248 119.651 119.651 120.689 -1.038 17911 1982 1 4 . 1 1 62 62 ASP HA H 248 4.358 4.358 4.369 -0.011 17911 1983 1 4 . 1 1 62 62 ASP CA C 248 57.557 57.557 57.461 0.096 17911 1984 1 4 . 1 1 62 62 ASP CB C 248 40.027 40.027 40.926 -0.899 17911 1985 1 4 . 1 1 62 62 ASP H H 248 8.142 8.142 8.332 -0.190 17911 1986 1 4 . 1 1 63 63 ILE N N 249 123.545 123.545 119.878 3.667 17911 1987 1 4 . 1 1 63 63 ILE HA H 249 3.756 3.756 3.910 -0.154 17911 1988 1 4 . 1 1 63 63 ILE CA C 249 64.832 64.832 64.532 0.300 17911 1989 1 4 . 1 1 63 63 ILE CB C 249 37.817 37.817 38.135 -0.318 17911 1990 1 4 . 1 1 63 63 ILE H H 249 8.017 8.017 7.789 0.228 17911 1991 1 4 . 1 1 64 64 LEU N N 250 117.125 117.125 117.407 -0.282 17911 1992 1 4 . 1 1 64 64 LEU HA H 250 4.094 4.094 4.283 -0.189 17911 1993 1 4 . 1 1 64 64 LEU CA C 250 55.004 55.004 55.085 -0.081 17911 1994 1 4 . 1 1 64 64 LEU CB C 250 42.662 42.662 41.369 1.293 17911 1995 1 4 . 1 1 64 64 LEU H H 250 7.217 7.217 7.761 -0.544 17911 1996 1 4 . 1 1 65 65 GLY N N 251 108.388 108.388 109.301 -0.913 17911 1997 1 4 . 1 1 65 65 GLY CA C 251 48.708 48.708 48.500 0.208 17911 1998 1 4 . 1 1 65 65 GLY H H 251 7.794 7.794 8.260 -0.466 17911 1999 1 4 . 1 1 66 66 PRO HA H 252 4.243 4.243 4.195 0.048 17911 2000 1 4 . 1 1 66 66 PRO CA C 252 66.036 66.036 64.814 1.222 17911 2001 1 4 . 1 1 66 66 PRO CB C 252 32.172 32.172 31.196 0.976 17911 2002 1 4 . 1 1 67 67 LEU N N 253 117.852 117.852 115.633 2.219 17911 2003 1 4 . 1 1 67 67 LEU HA H 253 3.866 3.866 4.314 -0.448 17911 2004 1 4 . 1 1 67 67 LEU CA C 253 57.301 57.301 55.755 1.546 17911 2005 1 4 . 1 1 67 67 LEU CB C 253 40.539 40.539 42.333 -1.794 17911 2006 1 4 . 1 1 67 67 LEU H H 253 7.344 7.344 7.656 -0.312 17911 2007 1 4 . 1 1 68 68 SER N N 254 117.191 117.191 116.469 0.722 17911 2008 1 4 . 1 1 68 68 SER HA H 254 4.154 4.154 4.369 -0.215 17911 2009 1 4 . 1 1 68 68 SER CA C 254 60.705 60.705 61.228 -0.523 17911 2010 1 4 . 1 1 68 68 SER CB C 254 63.286 63.286 63.175 0.111 17911 2011 1 4 . 1 1 68 68 SER H H 254 7.883 7.883 7.941 -0.058 17911 2012 1 4 . 1 1 69 69 ALA N N 255 123.895 123.895 124.154 -0.259 17911 2013 1 4 . 1 1 69 69 ALA HA H 255 4.078 4.078 4.067 0.011 17911 2014 1 4 . 1 1 69 69 ALA CA C 255 54.749 54.749 54.661 0.088 17911 2015 1 4 . 1 1 69 69 ALA CB C 255 17.992 17.992 18.161 -0.169 17911 2016 1 4 . 1 1 69 69 ALA H H 255 8.592 8.592 7.920 0.672 17911 2017 1 4 . 1 1 70 70 GLN N N 256 116.528 116.528 116.022 0.506 17911 2018 1 4 . 1 1 70 70 GLN HA H 256 4.011 4.011 4.207 -0.196 17911 2019 1 4 . 1 1 70 70 GLN CA C 256 58.634 58.634 57.896 0.738 17911 2020 1 4 . 1 1 70 70 GLN CB C 256 28.939 28.939 29.217 -0.278 17911 2021 1 4 . 1 1 70 70 GLN H H 256 7.744 7.744 8.097 -0.353 17911 2022 1 4 . 1 1 71 71 THR N N 257 103.056 103.056 109.451 -6.395 17911 2023 1 4 . 1 1 71 71 THR HA H 257 4.277 4.277 4.433 -0.156 17911 2024 1 4 . 1 1 71 71 THR CA C 257 62.236 62.236 62.674 -0.438 17911 2025 1 4 . 1 1 71 71 THR CB C 257 72.277 72.277 70.103 2.174 17911 2026 1 4 . 1 1 71 71 THR H H 257 7.401 7.401 8.147 -0.746 17911 2027 1 4 . 1 1 72 72 GLY N N 258 111.697 111.697 110.788 0.909 17911 2028 1 4 . 1 1 72 72 GLY CA C 258 45.900 45.900 45.461 0.439 17911 2029 1 4 . 1 1 72 72 GLY H H 258 8.113 8.113 8.193 -0.080 17911 2030 1 4 . 1 1 73 73 ILE N N 259 120.078 120.078 123.321 -3.243 17911 2031 1 4 . 1 1 73 73 ILE HA H 259 4.451 4.451 4.206 0.245 17911 2032 1 4 . 1 1 73 73 ILE CA C 259 58.903 58.903 58.710 0.193 17911 2033 1 4 . 1 1 73 73 ILE CB C 259 38.497 38.497 35.841 2.656 17911 2034 1 4 . 1 1 73 73 ILE H H 259 7.598 7.598 7.620 -0.022 17911 2035 1 4 . 1 1 74 74 ALA N N 260 107.454 107.454 131.880 -24.426 17911 2036 1 4 . 1 1 74 74 ALA HA H 260 4.178 4.178 4.339 -0.161 17911 2037 1 4 . 1 1 74 74 ALA CA C 260 52.622 52.622 52.496 0.126 17911 2038 1 4 . 1 1 74 74 ALA CB C 260 18.417 18.417 19.527 -1.110 17911 2039 1 4 . 1 1 74 74 ALA H H 260 9.477 9.477 8.327 1.150 17911 2040 1 4 . 1 1 75 75 VAL N N 261 124.569 124.569 121.911 2.658 17911 2041 1 4 . 1 1 75 75 VAL HA H 261 4.095 4.095 3.853 0.242 17911 2042 1 4 . 1 1 75 75 VAL CA C 261 66.637 66.637 65.649 0.988 17911 2043 1 4 . 1 1 75 75 VAL CB C 261 31.575 31.575 31.719 -0.144 17911 2044 1 4 . 1 1 75 75 VAL H H 261 8.927 8.927 8.725 0.202 17911 2045 1 4 . 1 1 76 76 LEU N N 262 117.285 117.285 118.506 -1.221 17911 2046 1 4 . 1 1 76 76 LEU HA H 262 3.827 3.827 4.005 -0.178 17911 2047 1 4 . 1 1 76 76 LEU CA C 262 58.067 58.067 57.187 0.880 17911 2048 1 4 . 1 1 76 76 LEU CB C 262 39.774 39.774 40.826 -1.052 17911 2049 1 4 . 1 1 76 76 LEU H H 262 8.949 8.949 8.117 0.832 17911 2050 1 4 . 1 1 77 77 ASP N N 263 120.854 120.854 121.285 -0.431 17911 2051 1 4 . 1 1 77 77 ASP HA H 263 4.639 4.639 4.681 -0.042 17911 2052 1 4 . 1 1 77 77 ASP CA C 263 57.131 57.131 56.807 0.324 17911 2053 1 4 . 1 1 77 77 ASP CB C 263 39.178 39.178 40.358 -1.180 17911 2054 1 4 . 1 1 77 77 ASP H H 263 7.011 7.011 7.918 -0.907 17911 2055 1 4 . 1 1 78 78 MET N N 264 124.661 124.661 120.581 4.080 17911 2056 1 4 . 1 1 78 78 MET HA H 264 4.343 4.343 4.147 0.196 17911 2057 1 4 . 1 1 78 78 MET CA C 264 57.131 57.131 57.838 -0.707 17911 2058 1 4 . 1 1 78 78 MET CB C 264 31.172 31.172 31.945 -0.773 17911 2059 1 4 . 1 1 78 78 MET H H 264 8.025 8.025 8.225 -0.200 17911 2060 1 4 . 1 1 79 79 CYS N N 265 117.740 117.740 118.705 -0.965 17911 2061 1 4 . 1 1 79 79 CYS HA H 265 3.534 3.534 3.705 -0.171 17911 2062 1 4 . 1 1 79 79 CYS CA C 265 64.317 64.317 63.641 0.676 17911 2063 1 4 . 1 1 79 79 CYS CB C 265 25.564 25.564 26.038 -0.475 17911 2064 1 4 . 1 1 79 79 CYS H H 265 8.703 8.703 8.437 0.266 17911 2065 1 4 . 1 1 80 80 ALA N N 266 123.346 123.346 121.715 1.631 17911 2066 1 4 . 1 1 80 80 ALA HA H 266 3.884 3.884 4.086 -0.202 17911 2067 1 4 . 1 1 80 80 ALA CA C 266 55.174 55.174 54.946 0.229 17911 2068 1 4 . 1 1 80 80 ALA CB C 266 17.911 17.911 18.027 -0.116 17911 2069 1 4 . 1 1 80 80 ALA H H 266 7.745 7.745 8.119 -0.374 17911 2070 1 4 . 1 1 81 81 ALA N N 267 122.668 122.668 122.615 0.053 17911 2071 1 4 . 1 1 81 81 ALA HA H 267 4.236 4.236 4.213 0.023 17911 2072 1 4 . 1 1 81 81 ALA CA C 267 54.778 54.778 54.844 -0.066 17911 2073 1 4 . 1 1 81 81 ALA CB C 267 18.247 18.247 18.711 -0.464 17911 2074 1 4 . 1 1 81 81 ALA H H 267 7.513 7.513 8.094 -0.581 17911 2075 1 4 . 1 1 82 82 LEU N N 268 119.844 119.844 120.687 -0.843 17911 2076 1 4 . 1 1 82 82 LEU HA H 268 3.924 3.924 4.006 -0.082 17911 2077 1 4 . 1 1 82 82 LEU CA C 268 57.613 57.613 57.582 0.031 17911 2078 1 4 . 1 1 82 82 LEU CB C 268 40.681 40.681 41.408 -0.727 17911 2079 1 4 . 1 1 82 82 LEU H H 268 8.304 8.304 8.489 -0.185 17911 2080 1 4 . 1 1 83 83 LYS N N 269 119.140 119.140 119.014 0.126 17911 2081 1 4 . 1 1 83 83 LYS HA H 269 3.629 3.629 3.941 -0.312 17911 2082 1 4 . 1 1 83 83 LYS CA C 269 60.279 60.279 60.040 0.239 17911 2083 1 4 . 1 1 83 83 LYS CB C 269 33.052 33.052 32.435 0.617 17911 2084 1 4 . 1 1 83 83 LYS H H 269 8.881 8.881 8.659 0.222 17911 2085 1 4 . 1 1 84 84 GLU N N 270 116.647 116.647 118.798 -2.151 17911 2086 1 4 . 1 1 84 84 GLU HA H 270 4.085 4.085 4.193 -0.108 17911 2087 1 4 . 1 1 84 84 GLU CA C 270 58.903 58.903 58.901 0.002 17911 2088 1 4 . 1 1 84 84 GLU CB C 270 29.223 29.223 30.131 -0.908 17911 2089 1 4 . 1 1 84 84 GLU H H 270 7.107 7.107 7.616 -0.509 17911 2090 1 4 . 1 1 85 85 LEU N N 271 120.657 120.657 121.286 -0.629 17911 2091 1 4 . 1 1 85 85 LEU HA H 271 3.992 3.992 4.041 -0.049 17911 2092 1 4 . 1 1 85 85 LEU CA C 271 57.872 57.872 57.838 0.034 17911 2093 1 4 . 1 1 85 85 LEU CB C 271 42.326 42.326 42.059 0.267 17911 2094 1 4 . 1 1 85 85 LEU H H 271 7.757 7.757 8.257 -0.500 17911 2095 1 4 . 1 1 86 86 LEU N N 272 119.651 119.651 118.197 1.454 17911 2096 1 4 . 1 1 86 86 LEU HA H 272 3.535 3.535 3.919 -0.384 17911 2097 1 4 . 1 1 86 86 LEU CA C 272 57.356 57.356 56.745 0.611 17911 2098 1 4 . 1 1 86 86 LEU CB C 272 40.880 40.880 42.082 -1.202 17911 2099 1 4 . 1 1 86 86 LEU H H 272 8.336 8.336 8.284 0.052 17911 2100 1 4 . 1 1 87 87 GLN N N 273 113.087 113.087 114.829 -1.742 17911 2101 1 4 . 1 1 87 87 GLN HA H 273 4.099 4.099 4.194 -0.095 17911 2102 1 4 . 1 1 87 87 GLN CA C 273 58.387 58.387 56.640 1.747 17911 2103 1 4 . 1 1 87 87 GLN CB C 273 30.159 30.159 31.442 -1.283 17911 2104 1 4 . 1 1 87 87 GLN H H 273 7.422 7.422 7.552 -0.130 17911 2105 1 4 . 1 1 88 88 ASN N N 274 113.925 113.925 115.175 -1.250 17911 2106 1 4 . 1 1 88 88 ASN HA H 274 4.921 4.921 4.942 -0.021 17911 2107 1 4 . 1 1 88 88 ASN CA C 274 53.747 53.747 53.861 -0.114 17911 2108 1 4 . 1 1 88 88 ASN CB C 274 40.625 40.625 42.315 -1.690 17911 2109 1 4 . 1 1 88 88 ASN H H 274 8.388 8.388 8.565 -0.177 17911 2110 1 4 . 1 1 89 89 GLY N N 275 109.040 109.040 108.880 0.160 17911 2111 1 4 . 1 1 89 89 GLY CA C 275 44.709 44.709 44.547 0.162 17911 2112 1 4 . 1 1 89 89 GLY H H 275 7.698 7.698 7.989 -0.291 17911 2113 1 4 . 1 1 90 90 MET N N 276 115.183 115.183 117.844 -2.661 17911 2114 1 4 . 1 1 90 90 MET HA H 276 4.434 4.434 4.108 0.326 17911 2115 1 4 . 1 1 90 90 MET CA C 276 56.791 56.791 56.147 0.644 17911 2116 1 4 . 1 1 90 90 MET CB C 276 33.637 33.637 32.259 1.378 17911 2117 1 4 . 1 1 90 90 MET H H 276 8.599 8.599 8.532 0.067 17911 2118 1 4 . 1 1 91 91 ASN N N 277 118.020 118.020 118.975 -0.955 17911 2119 1 4 . 1 1 91 91 ASN HA H 277 4.301 4.301 4.611 -0.310 17911 2120 1 4 . 1 1 91 91 ASN CA C 277 53.983 53.983 54.782 -0.799 17911 2121 1 4 . 1 1 91 91 ASN CB C 277 37.987 37.987 38.851 -0.864 17911 2122 1 4 . 1 1 91 91 ASN H H 277 9.033 9.033 8.643 0.390 17911 2123 1 4 . 1 1 92 92 GLY N N 278 104.906 104.906 107.082 -2.176 17911 2124 1 4 . 1 1 92 92 GLY CA C 278 45.645 45.645 44.919 0.726 17911 2125 1 4 . 1 1 92 92 GLY H H 278 8.538 8.538 8.115 0.423 17911 2126 1 4 . 1 1 93 93 ARG N N 279 120.056 120.056 120.416 -0.360 17911 2127 1 4 . 1 1 93 93 ARG HA H 279 4.237 4.237 4.617 -0.380 17911 2128 1 4 . 1 1 93 93 ARG CA C 279 55.344 55.344 53.595 1.749 17911 2129 1 4 . 1 1 93 93 ARG CB C 279 31.491 31.491 32.725 -1.234 17911 2130 1 4 . 1 1 93 93 ARG H H 279 7.257 7.257 7.685 -0.428 17911 2131 1 4 . 1 1 94 94 THR N N 280 106.223 106.223 111.970 -5.747 17911 2132 1 4 . 1 1 94 94 THR HA H 280 5.028 5.028 5.229 -0.201 17911 2133 1 4 . 1 1 94 94 THR CA C 280 59.684 59.684 60.893 -1.209 17911 2134 1 4 . 1 1 94 94 THR CB C 280 72.787 72.787 71.505 1.282 17911 2135 1 4 . 1 1 94 94 THR H H 280 7.726 7.726 8.253 -0.527 17911 2136 1 4 . 1 1 95 95 ILE N N 281 121.214 121.214 120.876 0.338 17911 2137 1 4 . 1 1 95 95 ILE HA H 281 4.301 4.301 4.619 -0.318 17911 2138 1 4 . 1 1 95 95 ILE CA C 281 62.066 62.066 60.735 1.331 17911 2139 1 4 . 1 1 95 95 ILE CB C 281 40.539 40.539 41.379 -0.840 17911 2140 1 4 . 1 1 95 95 ILE H H 281 8.761 8.761 8.953 -0.192 17911 2141 1 4 . 1 1 96 96 LEU N N 282 128.347 128.347 125.546 2.801 17911 2142 1 4 . 1 1 96 96 LEU HA H 282 3.850 3.850 3.917 -0.067 17911 2143 1 4 . 1 1 96 96 LEU CA C 282 55.344 55.344 55.856 -0.512 17911 2144 1 4 . 1 1 96 96 LEU CB C 282 40.539 40.539 39.691 0.848 17911 2145 1 4 . 1 1 96 96 LEU H H 282 9.905 9.905 9.640 0.265 17911 2146 1 4 . 1 1 97 97 GLY N N 283 103.322 103.322 103.392 -0.070 17911 2147 1 4 . 1 1 97 97 GLY CA C 283 45.645 45.645 44.793 0.852 17911 2148 1 4 . 1 1 97 97 GLY H H 283 8.937 8.937 8.532 0.405 17911 2149 1 4 . 1 1 98 98 SER N N 284 116.619 116.619 115.623 0.996 17911 2150 1 4 . 1 1 98 98 SER HA H 284 4.950 4.950 5.018 -0.068 17911 2151 1 4 . 1 1 98 98 SER CA C 284 56.961 56.961 56.003 0.958 17911 2152 1 4 . 1 1 98 98 SER CB C 284 65.044 65.044 64.959 0.085 17911 2153 1 4 . 1 1 98 98 SER H H 284 8.612 8.612 8.060 0.552 17911 2154 1 4 . 1 1 99 99 THR N N 285 114.513 114.513 117.528 -3.015 17911 2155 1 4 . 1 1 99 99 THR HA H 285 4.598 4.598 4.423 0.175 17911 2156 1 4 . 1 1 99 99 THR CA C 285 61.739 61.739 62.474 -0.735 17911 2157 1 4 . 1 1 99 99 THR CB C 285 69.214 69.214 68.730 0.484 17911 2158 1 4 . 1 1 99 99 THR H H 285 8.601 8.601 8.685 -0.084 17911 2159 1 4 . 1 1 100 100 ILE N N 286 117.511 117.511 116.198 1.313 17911 2160 1 4 . 1 1 100 100 ILE HA H 286 4.496 4.496 4.667 -0.171 17911 2161 1 4 . 1 1 100 100 ILE CA C 286 59.173 59.173 59.252 -0.079 17911 2162 1 4 . 1 1 100 100 ILE CB C 286 41.887 41.887 40.774 1.113 17911 2163 1 4 . 1 1 100 100 ILE H H 286 7.931 7.931 7.454 0.477 17911 2164 1 4 . 1 1 101 101 LEU N N 287 121.101 121.101 116.468 4.633 17911 2165 1 4 . 1 1 101 101 LEU HA H 287 4.157 4.157 4.183 -0.026 17911 2166 1 4 . 1 1 101 101 LEU CA C 287 54.520 54.520 53.161 1.359 17911 2167 1 4 . 1 1 101 101 LEU CB C 287 40.083 40.083 43.965 -3.882 17911 2168 1 4 . 1 1 101 101 LEU H H 287 8.025 8.025 8.072 -0.047 17911 2169 1 4 . 1 1 102 102 GLU HA H 288 3.720 3.720 4.293 -0.574 17911 2170 1 4 . 1 1 102 102 GLU CA C 288 55.770 55.770 54.589 1.181 17911 2171 1 4 . 1 1 102 102 GLU CB C 288 29.904 29.904 32.754 -2.850 17911 2172 1 4 . 1 1 103 103 ASP N N 289 121.287 121.287 120.437 0.850 17911 2173 1 4 . 1 1 103 103 ASP HA H 289 4.513 4.513 4.639 -0.126 17911 2174 1 4 . 1 1 103 103 ASP CA C 289 52.281 52.281 54.174 -1.893 17911 2175 1 4 . 1 1 103 103 ASP CB C 289 42.922 42.922 41.909 1.013 17911 2176 1 4 . 1 1 103 103 ASP H H 289 8.014 8.014 8.565 -0.551 17911 2177 1 4 . 1 1 104 104 GLU N N 290 118.245 118.245 120.237 -1.992 17911 2178 1 4 . 1 1 104 104 GLU HA H 290 3.904 3.904 4.051 -0.147 17911 2179 1 4 . 1 1 104 104 GLU CA C 290 57.614 57.614 58.480 -0.866 17911 2180 1 4 . 1 1 104 104 GLU CB C 290 30.499 30.499 29.889 0.610 17911 2181 1 4 . 1 1 104 104 GLU H H 290 7.432 7.432 8.447 -1.015 17911 2182 1 4 . 1 1 105 105 PHE N N 291 120.606 120.606 119.245 1.361 17911 2183 1 4 . 1 1 105 105 PHE HA H 291 4.838 4.838 4.504 0.334 17911 2184 1 4 . 1 1 105 105 PHE CA C 291 56.536 56.536 58.126 -1.590 17911 2185 1 4 . 1 1 105 105 PHE CB C 291 39.774 39.774 39.332 0.442 17911 2186 1 4 . 1 1 105 105 PHE H H 291 8.835 8.835 8.098 0.737 17911 2187 1 4 . 1 1 106 106 THR N N 292 111.349 111.349 117.155 -5.806 17911 2188 1 4 . 1 1 106 106 THR HA H 292 4.670 4.670 4.454 0.216 17911 2189 1 4 . 1 1 106 106 THR CA C 292 59.344 59.344 60.024 -0.680 17911 2190 1 4 . 1 1 106 106 THR CB C 292 69.299 69.299 68.926 0.373 17911 2191 1 4 . 1 1 106 106 THR H H 292 8.757 8.757 8.202 0.555 17911 2192 1 4 . 1 1 107 107 PRO HA H 293 3.988 3.988 4.650 -0.662 17911 2193 1 4 . 1 1 107 107 PRO CA C 293 65.606 65.606 62.763 2.843 17911 2194 1 4 . 1 1 107 107 PRO CB C 293 31.321 31.321 32.524 -1.203 17911 2195 1 4 . 1 1 108 108 PHE N N 294 114.627 114.627 119.741 -5.114 17911 2196 1 4 . 1 1 108 108 PHE HA H 294 4.201 4.201 4.104 0.097 17911 2197 1 4 . 1 1 108 108 PHE CA C 294 59.676 59.676 59.318 0.358 17911 2198 1 4 . 1 1 108 108 PHE CB C 294 38.582 38.582 38.672 -0.090 17911 2199 1 4 . 1 1 108 108 PHE H H 294 7.310 7.310 8.443 -1.133 17911 2200 1 4 . 1 1 109 109 ASP N N 295 120.210 120.210 118.825 1.385 17911 2201 1 4 . 1 1 109 109 ASP HA H 295 4.404 4.404 3.901 0.503 17911 2202 1 4 . 1 1 109 109 ASP CA C 295 57.098 57.098 54.860 2.238 17911 2203 1 4 . 1 1 109 109 ASP CB C 295 41.475 41.475 40.745 0.730 17911 2204 1 4 . 1 1 109 109 ASP H H 295 7.837 7.837 7.782 0.055 17911 2205 1 4 . 1 1 110 110 VAL N N 296 119.070 119.070 117.428 1.642 17911 2206 1 4 . 1 1 110 110 VAL HA H 296 3.602 3.602 3.860 -0.258 17911 2207 1 4 . 1 1 110 110 VAL CA C 296 66.491 66.491 64.396 2.095 17911 2208 1 4 . 1 1 110 110 VAL CB C 296 31.605 31.605 31.657 -0.052 17911 2209 1 4 . 1 1 110 110 VAL H H 296 7.945 7.945 8.032 -0.087 17911 2210 1 4 . 1 1 111 111 VAL N N 297 119.540 119.540 110.057 9.483 17911 2211 1 4 . 1 1 111 111 VAL HA H 297 3.601 3.601 4.412 -0.811 17911 2212 1 4 . 1 1 111 111 VAL CA C 297 66.379 66.379 59.971 6.408 17911 2213 1 4 . 1 1 111 111 VAL CB C 297 31.605 31.605 34.413 -2.808 17911 2214 1 4 . 1 1 111 111 VAL H H 297 8.109 8.109 7.333 0.776 17911 2215 1 4 . 1 1 112 112 ARG N N 298 119.680 119.680 120.225 -0.545 17911 2216 1 4 . 1 1 112 112 ARG HA H 298 4.010 4.010 4.250 -0.240 17911 2217 1 4 . 1 1 112 112 ARG CA C 298 58.634 58.634 56.958 1.676 17911 2218 1 4 . 1 1 112 112 ARG CB C 298 30.028 30.028 30.564 -0.536 17911 2219 1 4 . 1 1 112 112 ARG H H 298 7.710 7.710 8.460 -0.750 17911 2220 1 4 . 1 1 113 113 GLN N N 299 117.786 117.786 120.677 -2.891 17911 2221 1 4 . 1 1 113 113 GLN HA H 299 4.158 4.158 3.959 0.199 17911 2222 1 4 . 1 1 113 113 GLN CA C 299 57.557 57.557 58.316 -0.759 17911 2223 1 4 . 1 1 113 113 GLN CB C 299 29.308 29.308 29.514 -0.206 17911 2224 1 4 . 1 1 113 113 GLN H H 299 8.033 8.033 8.355 -0.322 17911 2225 1 4 . 1 1 114 114 CYS N N 300 115.786 115.786 113.333 2.453 17911 2226 1 4 . 1 1 114 114 CYS HA H 300 4.470 4.470 4.668 -0.198 17911 2227 1 4 . 1 1 114 114 CYS CA C 300 59.934 59.934 56.556 3.378 17911 2228 1 4 . 1 1 114 114 CYS CB C 300 28.293 28.293 29.521 -1.228 17911 2229 1 4 . 1 1 114 114 CYS H H 300 8.071 8.071 7.604 0.467 17911 2230 1 4 . 1 1 115 115 SER N N 301 116.258 116.258 115.885 0.373 17911 2231 1 4 . 1 1 115 115 SER HA H 301 4.407 4.407 4.466 -0.059 17911 2232 1 4 . 1 1 115 115 SER CA C 301 59.485 59.485 60.001 -0.516 17911 2233 1 4 . 1 1 115 115 SER CB C 301 63.286 63.286 63.167 0.119 17911 2234 1 4 . 1 1 115 115 SER H H 301 7.883 7.883 8.935 -1.052 17911 2235 1 4 . 1 1 116 116 GLY N N 302 110.709 110.709 107.995 2.714 17911 2236 1 4 . 1 1 116 116 GLY CA C 302 45.239 45.239 45.257 -0.018 17911 2237 1 4 . 1 1 116 116 GLY H H 302 8.355 8.355 8.078 0.277 17911 2238 1 4 . 1 1 117 117 VAL N N 303 119.189 119.189 120.442 -1.253 17911 2239 1 4 . 1 1 117 117 VAL HA H 303 4.057 4.057 3.836 0.221 17911 2240 1 4 . 1 1 117 117 VAL CA C 303 62.236 62.236 64.254 -2.018 17911 2241 1 4 . 1 1 117 117 VAL CB C 303 32.626 32.626 31.132 1.494 17911 2242 1 4 . 1 1 117 117 VAL H H 303 7.710 7.710 8.322 -0.612 17911 2243 1 4 . 1 1 118 118 THR N N 304 118.009 118.009 105.900 12.109 17911 2244 1 4 . 1 1 118 118 THR HA H 304 4.279 4.279 4.201 0.078 17911 2245 1 4 . 1 1 118 118 THR CA C 304 61.556 61.556 60.418 1.138 17911 2246 1 4 . 1 1 118 118 THR CB C 304 69.894 69.894 71.191 -1.297 17911 2247 1 4 . 1 1 118 118 THR H H 304 8.109 8.109 7.245 0.864 17911 2248 1 4 . 1 1 119 119 PHE N N 305 123.287 123.287 117.757 5.530 17911 2249 1 4 . 1 1 119 119 PHE HA H 305 4.605 4.605 4.769 -0.164 17911 2250 1 4 . 1 1 119 119 PHE CA C 305 57.727 57.727 57.773 -0.046 17911 2251 1 4 . 1 1 119 119 PHE CB C 305 39.859 39.859 41.004 -1.145 17911 2252 1 4 . 1 1 119 119 PHE H H 305 8.298 8.298 8.604 -0.306 17911 2253 1 5 . 1 1 2 2 ARG N N 188 121.886 121.886 119.805 2.081 17911 2254 1 5 . 1 1 2 2 ARG HA H 188 4.242 4.242 4.000 0.242 17911 2255 1 5 . 1 1 2 2 ARG CA C 188 56.487 56.487 58.757 -2.270 17911 2256 1 5 . 1 1 2 2 ARG CB C 188 30.857 30.857 30.306 0.551 17911 2257 1 5 . 1 1 2 2 ARG H H 188 8.475 8.475 8.584 -0.109 17911 2258 1 5 . 1 1 3 3 GLN N N 189 121.336 121.336 115.863 5.473 17911 2259 1 5 . 1 1 3 3 GLN HA H 189 4.302 4.302 4.251 0.051 17911 2260 1 5 . 1 1 3 3 GLN CA C 189 56.366 56.366 57.672 -1.306 17911 2261 1 5 . 1 1 3 3 GLN CB C 189 29.254 29.254 28.548 0.706 17911 2262 1 5 . 1 1 3 3 GLN H H 189 8.553 8.553 8.460 0.093 17911 2263 1 5 . 1 1 4 4 THR N N 190 115.273 115.273 107.707 7.566 17911 2264 1 5 . 1 1 4 4 THR HA H 190 4.275 4.275 4.419 -0.144 17911 2265 1 5 . 1 1 4 4 THR CA C 190 62.066 62.066 61.510 0.556 17911 2266 1 5 . 1 1 4 4 THR CB C 190 69.894 69.894 69.850 0.044 17911 2267 1 5 . 1 1 4 4 THR H H 190 8.123 8.123 7.824 0.299 17911 2268 1 5 . 1 1 5 5 ALA N N 191 126.029 126.029 125.624 0.405 17911 2269 1 5 . 1 1 5 5 ALA HA H 191 4.247 4.247 4.233 0.014 17911 2270 1 5 . 1 1 5 5 ALA CA C 191 52.537 52.537 52.946 -0.409 17911 2271 1 5 . 1 1 5 5 ALA CB C 191 19.183 19.183 19.416 -0.233 17911 2272 1 5 . 1 1 5 5 ALA H H 191 8.284 8.284 7.832 0.452 17911 2273 1 5 . 1 1 6 6 GLN N N 192 119.614 119.614 119.101 0.513 17911 2274 1 5 . 1 1 6 6 GLN HA H 192 4.217 4.217 4.731 -0.514 17911 2275 1 5 . 1 1 6 6 GLN CA C 192 55.685 55.685 54.906 0.779 17911 2276 1 5 . 1 1 6 6 GLN CB C 192 29.513 29.513 32.096 -2.583 17911 2277 1 5 . 1 1 6 6 GLN H H 192 8.287 8.287 8.293 -0.006 17911 2278 1 5 . 1 1 7 7 ALA N N 193 125.571 125.571 122.204 3.367 17911 2279 1 5 . 1 1 7 7 ALA HA H 193 4.246 4.246 4.806 -0.560 17911 2280 1 5 . 1 1 7 7 ALA CA C 193 52.537 52.537 51.725 0.812 17911 2281 1 5 . 1 1 7 7 ALA CB C 193 19.268 19.268 20.739 -1.471 17911 2282 1 5 . 1 1 7 7 ALA H H 193 8.271 8.271 8.671 -0.400 17911 2283 1 5 . 1 1 8 8 ALA N N 194 123.461 123.461 122.368 1.093 17911 2284 1 5 . 1 1 8 8 ALA HA H 194 4.250 4.250 4.106 0.144 17911 2285 1 5 . 1 1 8 8 ALA CA C 194 52.593 52.593 54.373 -1.780 17911 2286 1 5 . 1 1 8 8 ALA CB C 194 19.324 19.324 18.475 0.849 17911 2287 1 5 . 1 1 8 8 ALA H H 194 8.275 8.275 8.506 -0.231 17911 2288 1 5 . 1 1 9 9 GLY N N 195 108.312 108.312 103.061 5.251 17911 2289 1 5 . 1 1 9 9 GLY CA C 195 45.219 45.219 45.515 -0.296 17911 2290 1 5 . 1 1 9 9 GLY H H 195 8.328 8.328 8.037 0.291 17911 2291 1 5 . 1 1 10 10 THR N N 196 112.710 112.710 111.347 1.363 17911 2292 1 5 . 1 1 10 10 THR HA H 196 4.334 4.334 4.456 -0.122 17911 2293 1 5 . 1 1 10 10 THR CA C 196 61.471 61.471 62.140 -0.669 17911 2294 1 5 . 1 1 10 10 THR CB C 196 69.894 69.894 70.886 -0.992 17911 2295 1 5 . 1 1 10 10 THR H H 196 7.998 7.998 7.757 0.241 17911 2296 1 5 . 1 1 11 11 ASP N N 197 122.862 122.862 122.925 -0.063 17911 2297 1 5 . 1 1 11 11 ASP HA H 197 4.609 4.609 4.715 -0.105 17911 2298 1 5 . 1 1 11 11 ASP CA C 197 54.262 54.262 55.998 -1.736 17911 2299 1 5 . 1 1 11 11 ASP CB C 197 41.135 41.135 41.472 -0.337 17911 2300 1 5 . 1 1 11 11 ASP H H 197 8.404 8.404 8.413 -0.009 17911 2301 1 5 . 1 1 12 12 THR N N 198 114.709 114.709 109.040 5.669 17911 2302 1 5 . 1 1 12 12 THR HA H 198 4.400 4.400 4.953 -0.553 17911 2303 1 5 . 1 1 12 12 THR CA C 198 61.223 61.223 60.489 0.734 17911 2304 1 5 . 1 1 12 12 THR CB C 198 70.490 70.490 71.923 -1.433 17911 2305 1 5 . 1 1 12 12 THR H H 198 7.895 7.895 7.398 0.497 17911 2306 1 5 . 1 1 13 13 THR N N 199 122.785 122.785 116.316 6.469 17911 2307 1 5 . 1 1 13 13 THR HA H 199 3.961 3.961 4.609 -0.648 17911 2308 1 5 . 1 1 13 13 THR CA C 199 63.286 63.286 61.387 1.899 17911 2309 1 5 . 1 1 13 13 THR CB C 199 68.958 68.958 71.675 -2.717 17911 2310 1 5 . 1 1 13 13 THR H H 199 8.354 8.354 8.443 -0.089 17911 2311 1 5 . 1 1 14 14 ILE N N 200 127.902 127.902 129.380 -1.478 17911 2312 1 5 . 1 1 14 14 ILE HA H 200 3.807 3.807 4.231 -0.424 17911 2313 1 5 . 1 1 14 14 ILE CA C 200 60.965 60.965 61.471 -0.506 17911 2314 1 5 . 1 1 14 14 ILE CB C 200 35.860 35.860 35.860 -0.000 17911 2315 1 5 . 1 1 14 14 ILE H H 200 9.362 9.362 9.294 0.068 17911 2316 1 5 . 1 1 15 15 THR N N 201 130.379 130.379 122.559 7.820 17911 2317 1 5 . 1 1 15 15 THR HA H 201 3.521 3.521 4.068 -0.547 17911 2318 1 5 . 1 1 15 15 THR CA C 201 66.637 66.637 67.071 -0.434 17911 2319 1 5 . 1 1 15 15 THR CB C 201 67.411 67.411 68.574 -1.163 17911 2320 1 5 . 1 1 15 15 THR H H 201 7.834 7.834 8.132 -0.298 17911 2321 1 5 . 1 1 16 16 LEU N N 202 120.049 120.049 120.830 -0.781 17911 2322 1 5 . 1 1 16 16 LEU HA H 202 3.715 3.715 4.092 -0.377 17911 2323 1 5 . 1 1 16 16 LEU CA C 202 58.387 58.387 58.678 -0.291 17911 2324 1 5 . 1 1 16 16 LEU CB C 202 43.148 43.148 41.279 1.869 17911 2325 1 5 . 1 1 16 16 LEU H H 202 8.913 8.913 8.576 0.337 17911 2326 1 5 . 1 1 17 17 ASN N N 203 117.390 117.390 117.499 -0.109 17911 2327 1 5 . 1 1 17 17 ASN HA H 203 4.594 4.594 4.779 -0.185 17911 2328 1 5 . 1 1 17 17 ASN CA C 203 54.520 54.520 55.584 -1.064 17911 2329 1 5 . 1 1 17 17 ASN CB C 203 37.246 37.246 38.094 -0.849 17911 2330 1 5 . 1 1 17 17 ASN H H 203 6.926 6.926 7.949 -1.023 17911 2331 1 5 . 1 1 18 18 VAL N N 204 123.434 123.434 122.267 1.167 17911 2332 1 5 . 1 1 18 18 VAL HA H 204 4.242 4.242 4.062 0.180 17911 2333 1 5 . 1 1 18 18 VAL CA C 204 66.236 66.236 66.519 -0.283 17911 2334 1 5 . 1 1 18 18 VAL CB C 204 31.605 31.605 31.458 0.147 17911 2335 1 5 . 1 1 18 18 VAL H H 204 7.660 7.660 8.049 -0.389 17911 2336 1 5 . 1 1 19 19 LEU N N 205 117.301 117.301 120.461 -3.160 17911 2337 1 5 . 1 1 19 19 LEU HA H 205 3.945 3.945 3.875 0.070 17911 2338 1 5 . 1 1 19 19 LEU CA C 205 58.408 58.408 58.491 -0.083 17911 2339 1 5 . 1 1 19 19 LEU CB C 205 42.918 42.918 41.045 1.873 17911 2340 1 5 . 1 1 19 19 LEU H H 205 8.573 8.573 8.725 -0.152 17911 2341 1 5 . 1 1 20 20 ALA N N 206 120.290 120.290 121.945 -1.655 17911 2342 1 5 . 1 1 20 20 ALA HA H 206 4.012 4.012 4.196 -0.184 17911 2343 1 5 . 1 1 20 20 ALA CA C 206 56.195 56.195 55.211 0.984 17911 2344 1 5 . 1 1 20 20 ALA CB C 206 17.911 17.911 18.124 -0.213 17911 2345 1 5 . 1 1 20 20 ALA H H 206 8.188 8.188 8.234 -0.046 17911 2346 1 5 . 1 1 21 21 TRP N N 207 121.219 121.219 121.046 0.173 17911 2347 1 5 . 1 1 21 21 TRP HA H 207 4.110 4.110 4.188 -0.078 17911 2348 1 5 . 1 1 21 21 TRP CA C 207 61.224 61.224 61.975 -0.751 17911 2349 1 5 . 1 1 21 21 TRP CB C 207 28.712 28.712 29.328 -0.616 17911 2350 1 5 . 1 1 21 21 TRP H H 207 8.406 8.406 8.438 -0.032 17911 2351 1 5 . 1 1 22 22 LEU HA H 208 3.517 3.517 3.495 0.022 17911 2352 1 5 . 1 1 22 22 LEU CA C 208 57.897 57.897 58.077 -0.180 17911 2353 1 5 . 1 1 22 22 LEU CB C 208 40.880 40.880 41.294 -0.414 17911 2354 1 5 . 1 1 22 22 LEU H H 208 8.620 8.620 8.703 -0.083 17911 2355 1 5 . 1 1 23 23 TYR N N 209 117.656 117.656 118.891 -1.235 17911 2356 1 5 . 1 1 23 23 TYR HA H 209 3.956 3.956 4.072 -0.116 17911 2357 1 5 . 1 1 23 23 TYR CA C 209 64.704 64.704 61.714 2.990 17911 2358 1 5 . 1 1 23 23 TYR CB C 209 38.793 38.793 37.505 1.288 17911 2359 1 5 . 1 1 23 23 TYR H H 209 8.368 8.368 8.521 -0.153 17911 2360 1 5 . 1 1 24 24 ALA N N 210 122.658 122.658 121.140 1.518 17911 2361 1 5 . 1 1 24 24 ALA HA H 210 3.837 3.837 3.840 -0.003 17911 2362 1 5 . 1 1 24 24 ALA CA C 210 55.036 55.036 54.836 0.200 17911 2363 1 5 . 1 1 24 24 ALA CB C 210 17.311 17.311 17.676 -0.365 17911 2364 1 5 . 1 1 24 24 ALA H H 210 8.461 8.461 8.408 0.053 17911 2365 1 5 . 1 1 25 25 ALA N N 211 123.868 123.868 121.821 2.047 17911 2366 1 5 . 1 1 25 25 ALA HA H 211 3.761 3.761 3.807 -0.046 17911 2367 1 5 . 1 1 25 25 ALA CA C 211 55.551 55.551 54.663 0.888 17911 2368 1 5 . 1 1 25 25 ALA CB C 211 17.992 17.992 18.064 -0.072 17911 2369 1 5 . 1 1 25 25 ALA H H 211 8.564 8.564 7.848 0.716 17911 2370 1 5 . 1 1 26 26 VAL N N 212 119.783 119.783 118.955 0.828 17911 2371 1 5 . 1 1 26 26 VAL HA H 212 3.487 3.487 3.607 -0.120 17911 2372 1 5 . 1 1 26 26 VAL CA C 212 66.576 66.576 66.450 0.126 17911 2373 1 5 . 1 1 26 26 VAL CB C 212 31.575 31.575 31.160 0.415 17911 2374 1 5 . 1 1 26 26 VAL H H 212 8.008 8.008 8.043 -0.035 17911 2375 1 5 . 1 1 27 27 ILE N N 213 124.428 124.428 117.603 6.825 17911 2376 1 5 . 1 1 27 27 ILE HA H 213 3.559 3.559 3.689 -0.130 17911 2377 1 5 . 1 1 27 27 ILE CA C 213 65.526 65.526 64.346 1.180 17911 2378 1 5 . 1 1 27 27 ILE CB C 213 37.902 37.902 37.795 0.107 17911 2379 1 5 . 1 1 27 27 ILE H H 213 8.576 8.576 8.104 0.472 17911 2380 1 5 . 1 1 28 28 ASN N N 214 116.563 116.563 116.259 0.304 17911 2381 1 5 . 1 1 28 28 ASN HA H 214 4.565 4.565 4.536 0.029 17911 2382 1 5 . 1 1 28 28 ASN CA C 214 54.579 54.579 55.143 -0.564 17911 2383 1 5 . 1 1 28 28 ASN CB C 214 40.340 40.340 40.123 0.217 17911 2384 1 5 . 1 1 28 28 ASN H H 214 7.714 7.714 8.055 -0.341 17911 2385 1 5 . 1 1 29 29 GLY N N 215 107.004 107.004 106.259 0.745 17911 2386 1 5 . 1 1 29 29 GLY CA C 215 45.683 45.683 45.128 0.555 17911 2387 1 5 . 1 1 29 29 GLY H H 215 7.861 7.861 8.410 -0.549 17911 2388 1 5 . 1 1 30 30 ASP N N 216 125.780 125.780 124.750 1.030 17911 2389 1 5 . 1 1 30 30 ASP HA H 216 5.019 5.019 4.633 0.386 17911 2390 1 5 . 1 1 30 30 ASP CA C 216 53.643 53.643 55.012 -1.369 17911 2391 1 5 . 1 1 30 30 ASP CB C 216 41.561 41.561 40.651 0.910 17911 2392 1 5 . 1 1 30 30 ASP H H 216 8.560 8.560 7.907 0.653 17911 2393 1 5 . 1 1 31 31 ARG N N 217 115.297 115.297 120.881 -5.584 17911 2394 1 5 . 1 1 31 31 ARG HA H 217 3.711 3.711 3.427 0.284 17911 2395 1 5 . 1 1 31 31 ARG CA C 217 54.520 54.520 55.031 -0.511 17911 2396 1 5 . 1 1 31 31 ARG CB C 217 32.116 32.116 30.819 1.297 17911 2397 1 5 . 1 1 31 31 ARG H H 217 7.984 7.984 7.572 0.412 17911 2398 1 5 . 1 1 32 32 TRP N N 218 119.754 119.754 120.112 -0.358 17911 2399 1 5 . 1 1 32 32 TRP HA H 218 4.120 4.120 4.246 -0.126 17911 2400 1 5 . 1 1 32 32 TRP CA C 218 58.387 58.387 57.604 0.783 17911 2401 1 5 . 1 1 32 32 TRP CB C 218 28.372 28.372 28.100 0.272 17911 2402 1 5 . 1 1 32 32 TRP H H 218 7.368 7.368 7.388 -0.020 17911 2403 1 5 . 1 1 33 33 PHE HA H 219 3.919 3.919 4.513 -0.594 17911 2404 1 5 . 1 1 33 33 PHE CA C 219 55.315 55.315 56.054 -0.739 17911 2405 1 5 . 1 1 33 33 PHE CB C 219 37.277 37.277 37.488 -0.211 17911 2406 1 5 . 1 1 34 34 LEU N N 220 122.632 122.632 121.141 1.491 17911 2407 1 5 . 1 1 34 34 LEU HA H 220 3.931 3.931 4.057 -0.126 17911 2408 1 5 . 1 1 34 34 LEU CA C 220 55.315 55.315 55.361 -0.046 17911 2409 1 5 . 1 1 34 34 LEU CB C 220 40.790 40.790 41.653 -0.863 17911 2410 1 5 . 1 1 34 34 LEU H H 220 6.447 6.447 7.115 -0.668 17911 2411 1 5 . 1 1 35 35 ASN N N 221 119.503 119.503 117.829 1.674 17911 2412 1 5 . 1 1 35 35 ASN HA H 221 4.709 4.709 4.452 0.257 17911 2413 1 5 . 1 1 35 35 ASN CA C 221 52.026 52.026 51.890 0.136 17911 2414 1 5 . 1 1 35 35 ASN CB C 221 40.598 40.598 40.149 0.449 17911 2415 1 5 . 1 1 35 35 ASN H H 221 8.105 8.105 8.552 -0.447 17911 2416 1 5 . 1 1 36 36 ARG N N 222 116.408 116.408 115.507 0.901 17911 2417 1 5 . 1 1 36 36 ARG HA H 222 4.293 4.293 3.959 0.334 17911 2418 1 5 . 1 1 36 36 ARG CA C 222 55.600 55.600 57.639 -2.039 17911 2419 1 5 . 1 1 36 36 ARG CB C 222 28.997 28.997 28.003 0.994 17911 2420 1 5 . 1 1 36 36 ARG H H 222 8.099 8.099 8.164 -0.065 17911 2421 1 5 . 1 1 37 37 PHE N N 223 120.398 120.398 118.540 1.858 17911 2422 1 5 . 1 1 37 37 PHE HA H 223 4.813 4.813 4.555 0.258 17911 2423 1 5 . 1 1 37 37 PHE CA C 223 56.081 56.081 57.043 -0.962 17911 2424 1 5 . 1 1 37 37 PHE CB C 223 40.085 40.085 39.947 0.138 17911 2425 1 5 . 1 1 37 37 PHE H H 223 7.842 7.842 7.705 0.137 17911 2426 1 5 . 1 1 38 38 THR N N 224 112.040 112.040 109.356 2.684 17911 2427 1 5 . 1 1 38 38 THR HA H 224 4.653 4.653 4.856 -0.203 17911 2428 1 5 . 1 1 38 38 THR CA C 224 60.708 60.708 60.273 0.435 17911 2429 1 5 . 1 1 38 38 THR CB C 224 71.000 71.000 71.845 -0.845 17911 2430 1 5 . 1 1 38 38 THR H H 224 8.231 8.231 8.287 -0.056 17911 2431 1 5 . 1 1 39 39 THR N N 225 116.627 116.627 113.735 2.892 17911 2432 1 5 . 1 1 39 39 THR HA H 225 4.925 4.925 4.667 0.258 17911 2433 1 5 . 1 1 39 39 THR CA C 225 59.677 59.677 60.427 -0.750 17911 2434 1 5 . 1 1 39 39 THR CB C 225 69.989 69.989 71.049 -1.060 17911 2435 1 5 . 1 1 39 39 THR H H 225 8.107 8.107 8.202 -0.095 17911 2436 1 5 . 1 1 40 40 THR N N 226 111.263 111.263 115.740 -4.477 17911 2437 1 5 . 1 1 40 40 THR HA H 226 4.727 4.727 4.540 0.187 17911 2438 1 5 . 1 1 40 40 THR CA C 226 59.740 59.740 61.002 -1.262 17911 2439 1 5 . 1 1 40 40 THR CB C 226 72.052 72.052 70.325 1.727 17911 2440 1 5 . 1 1 40 40 THR H H 226 8.481 8.481 8.171 0.310 17911 2441 1 5 . 1 1 41 41 LEU N N 227 123.989 123.989 124.392 -0.403 17911 2442 1 5 . 1 1 41 41 LEU HA H 227 3.986 3.986 4.163 -0.177 17911 2443 1 5 . 1 1 41 41 LEU CA C 227 58.903 58.903 58.248 0.655 17911 2444 1 5 . 1 1 41 41 LEU CB C 227 41.561 41.561 41.918 -0.357 17911 2445 1 5 . 1 1 41 41 LEU H H 227 9.259 9.259 8.821 0.438 17911 2446 1 5 . 1 1 42 42 ASN N N 228 115.183 115.183 116.993 -1.810 17911 2447 1 5 . 1 1 42 42 ASN HA H 228 4.435 4.435 4.417 0.018 17911 2448 1 5 . 1 1 42 42 ASN CA C 228 56.961 56.961 57.291 -0.330 17911 2449 1 5 . 1 1 42 42 ASN CB C 228 38.497 38.497 38.159 0.338 17911 2450 1 5 . 1 1 42 42 ASN H H 228 8.598 8.598 8.474 0.124 17911 2451 1 5 . 1 1 43 43 ASP N N 229 118.746 118.746 120.182 -1.436 17911 2452 1 5 . 1 1 43 43 ASP HA H 229 4.367 4.367 4.446 -0.079 17911 2453 1 5 . 1 1 43 43 ASP CA C 229 57.387 57.387 57.138 0.249 17911 2454 1 5 . 1 1 43 43 ASP CB C 229 40.625 40.625 40.931 -0.306 17911 2455 1 5 . 1 1 43 43 ASP H H 229 7.847 7.847 7.960 -0.113 17911 2456 1 5 . 1 1 44 44 PHE N N 230 120.193 120.193 121.071 -0.878 17911 2457 1 5 . 1 1 44 44 PHE HA H 230 3.808 3.808 4.106 -0.298 17911 2458 1 5 . 1 1 44 44 PHE CA C 230 62.747 62.747 61.705 1.042 17911 2459 1 5 . 1 1 44 44 PHE CB C 230 38.753 38.753 39.211 -0.458 17911 2460 1 5 . 1 1 44 44 PHE H H 230 8.547 8.547 8.413 0.134 17911 2461 1 5 . 1 1 45 45 ASN N N 231 118.852 118.852 118.312 0.540 17911 2462 1 5 . 1 1 45 45 ASN HA H 231 4.472 4.472 4.237 0.235 17911 2463 1 5 . 1 1 45 45 ASN CA C 231 55.344 55.344 56.104 -0.760 17911 2464 1 5 . 1 1 45 45 ASN CB C 231 37.391 37.391 38.062 -0.671 17911 2465 1 5 . 1 1 45 45 ASN H H 231 8.727 8.727 8.532 0.195 17911 2466 1 5 . 1 1 46 46 LEU N N 232 120.221 120.221 121.013 -0.792 17911 2467 1 5 . 1 1 46 46 LEU HA H 232 4.065 4.065 4.027 0.038 17911 2468 1 5 . 1 1 46 46 LEU CA C 232 58.152 58.152 57.909 0.243 17911 2469 1 5 . 1 1 46 46 LEU CB C 232 42.071 42.071 41.794 0.277 17911 2470 1 5 . 1 1 46 46 LEU H H 232 7.516 7.516 8.408 -0.892 17911 2471 1 5 . 1 1 47 47 VAL N N 233 119.649 119.649 118.937 0.712 17911 2472 1 5 . 1 1 47 47 VAL HA H 233 3.604 3.604 3.595 0.009 17911 2473 1 5 . 1 1 47 47 VAL CA C 233 65.864 65.864 65.685 0.179 17911 2474 1 5 . 1 1 47 47 VAL CB C 233 31.575 31.575 30.886 0.689 17911 2475 1 5 . 1 1 47 47 VAL H H 233 6.987 6.987 7.671 -0.684 17911 2476 1 5 . 1 1 48 48 ALA N N 234 122.056 122.056 122.255 -0.199 17911 2477 1 5 . 1 1 48 48 ALA HA H 234 3.451 3.451 3.830 -0.379 17911 2478 1 5 . 1 1 48 48 ALA CA C 234 55.741 55.741 55.034 0.707 17911 2479 1 5 . 1 1 48 48 ALA CB C 234 16.971 16.971 18.190 -1.219 17911 2480 1 5 . 1 1 48 48 ALA H H 234 8.480 8.480 8.005 0.475 17911 2481 1 5 . 1 1 49 49 MET N N 235 114.180 114.180 117.693 -3.513 17911 2482 1 5 . 1 1 49 49 MET HA H 235 4.272 4.272 4.029 0.243 17911 2483 1 5 . 1 1 49 49 MET CA C 235 59.003 59.003 59.122 -0.119 17911 2484 1 5 . 1 1 49 49 MET CB C 235 32.967 32.967 32.501 0.466 17911 2485 1 5 . 1 1 49 49 MET H H 235 7.950 7.950 8.404 -0.454 17911 2486 1 5 . 1 1 50 50 LYS N N 236 120.217 120.217 119.584 0.633 17911 2487 1 5 . 1 1 50 50 LYS HA H 236 3.945 3.945 3.833 0.112 17911 2488 1 5 . 1 1 50 50 LYS CA C 236 58.378 58.378 58.456 -0.078 17911 2489 1 5 . 1 1 50 50 LYS CB C 236 31.833 31.833 32.307 -0.474 17911 2490 1 5 . 1 1 50 50 LYS H H 236 7.378 7.378 7.574 -0.196 17911 2491 1 5 . 1 1 51 51 TYR N N 237 115.853 115.853 115.803 0.050 17911 2492 1 5 . 1 1 51 51 TYR HA H 237 4.462 4.462 4.716 -0.254 17911 2493 1 5 . 1 1 51 51 TYR CA C 237 58.293 58.293 56.645 1.648 17911 2494 1 5 . 1 1 51 51 TYR CB C 237 38.668 38.668 37.820 0.848 17911 2495 1 5 . 1 1 51 51 TYR H H 237 7.392 7.392 7.484 -0.092 17911 2496 1 5 . 1 1 52 52 ASN N N 238 115.965 115.965 114.594 1.371 17911 2497 1 5 . 1 1 52 52 ASN HA H 238 4.403 4.403 4.306 0.097 17911 2498 1 5 . 1 1 52 52 ASN CA C 238 54.834 54.834 54.525 0.309 17911 2499 1 5 . 1 1 52 52 ASN CB C 238 36.881 36.881 36.602 0.279 17911 2500 1 5 . 1 1 52 52 ASN H H 238 7.914 7.914 7.825 0.089 17911 2501 1 5 . 1 1 53 53 TYR N N 239 120.379 120.379 120.657 -0.278 17911 2502 1 5 . 1 1 53 53 TYR HA H 239 4.675 4.675 4.567 0.108 17911 2503 1 5 . 1 1 53 53 TYR CA C 239 57.387 57.387 59.158 -1.771 17911 2504 1 5 . 1 1 53 53 TYR CB C 239 37.788 37.788 37.869 -0.081 17911 2505 1 5 . 1 1 53 53 TYR H H 239 8.341 8.341 7.978 0.363 17911 2506 1 5 . 1 1 54 54 GLU N N 240 122.559 122.559 124.943 -2.384 17911 2507 1 5 . 1 1 54 54 GLU HA H 240 4.317 4.317 4.280 0.037 17911 2508 1 5 . 1 1 54 54 GLU CA C 240 54.579 54.579 55.698 -1.119 17911 2509 1 5 . 1 1 54 54 GLU CB C 240 30.802 30.802 29.729 1.073 17911 2510 1 5 . 1 1 54 54 GLU H H 240 8.114 8.114 8.695 -0.581 17911 2511 1 5 . 1 1 55 55 PRO HA H 241 4.314 4.314 4.441 -0.127 17911 2512 1 5 . 1 1 55 55 PRO CA C 241 62.973 62.973 63.008 -0.035 17911 2513 1 5 . 1 1 55 55 PRO CB C 241 31.917 31.917 31.948 -0.031 17911 2514 1 5 . 1 1 56 56 LEU N N 242 124.468 124.468 127.028 -2.560 17911 2515 1 5 . 1 1 56 56 LEU HA H 242 5.200 5.200 4.498 0.702 17911 2516 1 5 . 1 1 56 56 LEU CA C 242 53.747 53.747 55.156 -1.409 17911 2517 1 5 . 1 1 56 56 LEU CB C 242 45.560 45.560 43.769 1.791 17911 2518 1 5 . 1 1 56 56 LEU H H 242 9.650 9.650 9.200 0.450 17911 2519 1 5 . 1 1 57 57 THR N N 243 116.700 116.700 115.281 1.419 17911 2520 1 5 . 1 1 57 57 THR HA H 243 4.664 4.664 4.766 -0.102 17911 2521 1 5 . 1 1 57 57 THR CA C 243 59.429 59.429 59.933 -0.504 17911 2522 1 5 . 1 1 57 57 THR CB C 243 71.851 71.851 72.053 -0.202 17911 2523 1 5 . 1 1 57 57 THR H H 243 9.279 9.279 8.451 0.828 17911 2524 1 5 . 1 1 58 58 GLN N N 244 119.764 119.764 120.987 -1.223 17911 2525 1 5 . 1 1 58 58 GLN HA H 244 3.827 3.827 4.024 -0.197 17911 2526 1 5 . 1 1 58 58 GLN CA C 244 58.130 58.130 59.589 -1.459 17911 2527 1 5 . 1 1 58 58 GLN CB C 244 27.777 27.777 28.228 -0.451 17911 2528 1 5 . 1 1 58 58 GLN H H 244 8.959 8.959 8.948 0.011 17911 2529 1 5 . 1 1 59 59 ASP N N 245 117.059 117.059 118.747 -1.688 17911 2530 1 5 . 1 1 59 59 ASP HA H 245 4.325 4.325 4.370 -0.045 17911 2531 1 5 . 1 1 59 59 ASP CA C 245 57.301 57.301 57.031 0.270 17911 2532 1 5 . 1 1 59 59 ASP CB C 245 40.029 40.029 40.530 -0.501 17911 2533 1 5 . 1 1 59 59 ASP H H 245 7.838 7.838 8.770 -0.932 17911 2534 1 5 . 1 1 60 60 HIS N N 246 119.076 119.076 119.131 -0.055 17911 2535 1 5 . 1 1 60 60 HIS HA H 246 4.296 4.296 4.433 -0.137 17911 2536 1 5 . 1 1 60 60 HIS CA C 246 58.645 58.645 59.202 -0.557 17911 2537 1 5 . 1 1 60 60 HIS CB C 246 32.864 32.864 30.040 2.824 17911 2538 1 5 . 1 1 60 60 HIS H H 246 7.333 7.333 7.446 -0.113 17911 2539 1 5 . 1 1 61 61 VAL N N 247 118.215 118.215 120.033 -1.818 17911 2540 1 5 . 1 1 61 61 VAL HA H 247 3.400 3.400 3.671 -0.271 17911 2541 1 5 . 1 1 61 61 VAL CA C 247 67.257 67.257 66.698 0.559 17911 2542 1 5 . 1 1 61 61 VAL CB C 247 31.010 31.010 31.195 -0.185 17911 2543 1 5 . 1 1 61 61 VAL H H 247 7.565 7.565 8.480 -0.915 17911 2544 1 5 . 1 1 62 62 ASP N N 248 119.651 119.651 120.083 -0.432 17911 2545 1 5 . 1 1 62 62 ASP HA H 248 4.358 4.358 4.418 -0.060 17911 2546 1 5 . 1 1 62 62 ASP CA C 248 57.557 57.557 57.250 0.307 17911 2547 1 5 . 1 1 62 62 ASP CB C 248 40.027 40.027 41.033 -1.006 17911 2548 1 5 . 1 1 62 62 ASP H H 248 8.142 8.142 8.189 -0.047 17911 2549 1 5 . 1 1 63 63 ILE N N 249 123.545 123.545 119.689 3.856 17911 2550 1 5 . 1 1 63 63 ILE HA H 249 3.756 3.756 3.833 -0.077 17911 2551 1 5 . 1 1 63 63 ILE CA C 249 64.832 64.832 64.292 0.540 17911 2552 1 5 . 1 1 63 63 ILE CB C 249 37.817 37.817 38.149 -0.332 17911 2553 1 5 . 1 1 63 63 ILE H H 249 8.017 8.017 7.690 0.327 17911 2554 1 5 . 1 1 64 64 LEU N N 250 117.125 117.125 118.066 -0.941 17911 2555 1 5 . 1 1 64 64 LEU HA H 250 4.094 4.094 4.157 -0.063 17911 2556 1 5 . 1 1 64 64 LEU CA C 250 55.004 55.004 55.590 -0.586 17911 2557 1 5 . 1 1 64 64 LEU CB C 250 42.662 42.662 41.553 1.109 17911 2558 1 5 . 1 1 64 64 LEU H H 250 7.217 7.217 7.436 -0.219 17911 2559 1 5 . 1 1 65 65 GLY N N 251 108.388 108.388 108.653 -0.265 17911 2560 1 5 . 1 1 65 65 GLY CA C 251 48.708 48.708 48.358 0.350 17911 2561 1 5 . 1 1 65 65 GLY H H 251 7.794 7.794 7.916 -0.122 17911 2562 1 5 . 1 1 66 66 PRO HA H 252 4.243 4.243 4.151 0.092 17911 2563 1 5 . 1 1 66 66 PRO CA C 252 66.036 66.036 65.795 0.241 17911 2564 1 5 . 1 1 66 66 PRO CB C 252 32.172 32.172 31.377 0.795 17911 2565 1 5 . 1 1 67 67 LEU N N 253 117.852 117.852 116.829 1.023 17911 2566 1 5 . 1 1 67 67 LEU HA H 253 3.866 3.866 4.120 -0.254 17911 2567 1 5 . 1 1 67 67 LEU CA C 253 57.301 57.301 57.372 -0.071 17911 2568 1 5 . 1 1 67 67 LEU CB C 253 40.539 40.539 40.980 -0.441 17911 2569 1 5 . 1 1 67 67 LEU H H 253 7.344 7.344 7.245 0.099 17911 2570 1 5 . 1 1 68 68 SER N N 254 117.191 117.191 116.379 0.812 17911 2571 1 5 . 1 1 68 68 SER HA H 254 4.154 4.154 4.227 -0.073 17911 2572 1 5 . 1 1 68 68 SER CA C 254 60.705 60.705 61.585 -0.880 17911 2573 1 5 . 1 1 68 68 SER CB C 254 63.286 63.286 62.680 0.606 17911 2574 1 5 . 1 1 68 68 SER H H 254 7.883 7.883 7.982 -0.099 17911 2575 1 5 . 1 1 69 69 ALA N N 255 123.895 123.895 124.104 -0.209 17911 2576 1 5 . 1 1 69 69 ALA HA H 255 4.078 4.078 4.153 -0.075 17911 2577 1 5 . 1 1 69 69 ALA CA C 255 54.749 54.749 54.374 0.374 17911 2578 1 5 . 1 1 69 69 ALA CB C 255 17.992 17.992 18.284 -0.292 17911 2579 1 5 . 1 1 69 69 ALA H H 255 8.592 8.592 7.730 0.862 17911 2580 1 5 . 1 1 70 70 GLN N N 256 116.528 116.528 114.531 1.997 17911 2581 1 5 . 1 1 70 70 GLN HA H 256 4.011 4.011 4.082 -0.071 17911 2582 1 5 . 1 1 70 70 GLN CA C 256 58.634 58.634 58.055 0.579 17911 2583 1 5 . 1 1 70 70 GLN CB C 256 28.939 28.939 29.271 -0.332 17911 2584 1 5 . 1 1 70 70 GLN H H 256 7.744 7.744 7.901 -0.157 17911 2585 1 5 . 1 1 71 71 THR N N 257 103.056 103.056 105.913 -2.857 17911 2586 1 5 . 1 1 71 71 THR HA H 257 4.277 4.277 4.556 -0.279 17911 2587 1 5 . 1 1 71 71 THR CA C 257 62.236 62.236 61.568 0.668 17911 2588 1 5 . 1 1 71 71 THR CB C 257 72.277 72.277 71.590 0.687 17911 2589 1 5 . 1 1 71 71 THR H H 257 7.401 7.401 7.346 0.055 17911 2590 1 5 . 1 1 72 72 GLY N N 258 111.697 111.697 112.426 -0.729 17911 2591 1 5 . 1 1 72 72 GLY CA C 258 45.900 45.900 45.821 0.079 17911 2592 1 5 . 1 1 72 72 GLY H H 258 8.113 8.113 8.320 -0.207 17911 2593 1 5 . 1 1 73 73 ILE N N 259 120.078 120.078 121.892 -1.814 17911 2594 1 5 . 1 1 73 73 ILE HA H 259 4.451 4.451 4.348 0.103 17911 2595 1 5 . 1 1 73 73 ILE CA C 259 58.903 58.903 59.896 -0.993 17911 2596 1 5 . 1 1 73 73 ILE CB C 259 38.497 38.497 39.161 -0.664 17911 2597 1 5 . 1 1 73 73 ILE H H 259 7.598 7.598 7.588 0.010 17911 2598 1 5 . 1 1 74 74 ALA N N 260 107.454 107.454 130.380 -22.926 17911 2599 1 5 . 1 1 74 74 ALA HA H 260 4.178 4.178 4.268 -0.090 17911 2600 1 5 . 1 1 74 74 ALA CA C 260 52.622 52.622 52.545 0.076 17911 2601 1 5 . 1 1 74 74 ALA CB C 260 18.417 18.417 19.666 -1.249 17911 2602 1 5 . 1 1 74 74 ALA H H 260 9.477 9.477 8.758 0.719 17911 2603 1 5 . 1 1 75 75 VAL N N 261 124.569 124.569 122.931 1.638 17911 2604 1 5 . 1 1 75 75 VAL HA H 261 4.095 4.095 3.834 0.261 17911 2605 1 5 . 1 1 75 75 VAL CA C 261 66.637 66.637 65.605 1.032 17911 2606 1 5 . 1 1 75 75 VAL CB C 261 31.575 31.575 31.894 -0.319 17911 2607 1 5 . 1 1 75 75 VAL H H 261 8.927 8.927 8.792 0.135 17911 2608 1 5 . 1 1 76 76 LEU N N 262 117.285 117.285 118.340 -1.055 17911 2609 1 5 . 1 1 76 76 LEU HA H 262 3.827 3.827 3.985 -0.158 17911 2610 1 5 . 1 1 76 76 LEU CA C 262 58.067 58.067 57.129 0.938 17911 2611 1 5 . 1 1 76 76 LEU CB C 262 39.774 39.774 40.859 -1.085 17911 2612 1 5 . 1 1 76 76 LEU H H 262 8.949 8.949 8.007 0.942 17911 2613 1 5 . 1 1 77 77 ASP N N 263 120.854 120.854 121.785 -0.931 17911 2614 1 5 . 1 1 77 77 ASP HA H 263 4.639 4.639 4.728 -0.089 17911 2615 1 5 . 1 1 77 77 ASP CA C 263 57.131 57.131 56.862 0.269 17911 2616 1 5 . 1 1 77 77 ASP CB C 263 39.178 39.178 41.276 -2.098 17911 2617 1 5 . 1 1 77 77 ASP H H 263 7.011 7.011 7.911 -0.900 17911 2618 1 5 . 1 1 78 78 MET N N 264 124.661 124.661 120.537 4.124 17911 2619 1 5 . 1 1 78 78 MET HA H 264 4.343 4.343 4.063 0.280 17911 2620 1 5 . 1 1 78 78 MET CA C 264 57.131 57.131 57.709 -0.578 17911 2621 1 5 . 1 1 78 78 MET CB C 264 31.172 31.172 31.754 -0.582 17911 2622 1 5 . 1 1 78 78 MET H H 264 8.025 8.025 8.094 -0.069 17911 2623 1 5 . 1 1 79 79 CYS N N 265 117.740 117.740 118.332 -0.592 17911 2624 1 5 . 1 1 79 79 CYS HA H 265 3.534 3.534 3.733 -0.199 17911 2625 1 5 . 1 1 79 79 CYS CA C 265 64.317 64.317 63.705 0.612 17911 2626 1 5 . 1 1 79 79 CYS CB C 265 25.564 25.564 26.065 -0.501 17911 2627 1 5 . 1 1 79 79 CYS H H 265 8.703 8.703 8.459 0.244 17911 2628 1 5 . 1 1 80 80 ALA N N 266 123.346 123.346 121.624 1.722 17911 2629 1 5 . 1 1 80 80 ALA HA H 266 3.884 3.884 4.166 -0.282 17911 2630 1 5 . 1 1 80 80 ALA CA C 266 55.174 55.174 55.035 0.140 17911 2631 1 5 . 1 1 80 80 ALA CB C 266 17.911 17.911 18.033 -0.122 17911 2632 1 5 . 1 1 80 80 ALA H H 266 7.745 7.745 7.888 -0.143 17911 2633 1 5 . 1 1 81 81 ALA N N 267 122.668 122.668 122.545 0.123 17911 2634 1 5 . 1 1 81 81 ALA HA H 267 4.236 4.236 4.154 0.082 17911 2635 1 5 . 1 1 81 81 ALA CA C 267 54.778 54.778 54.796 -0.018 17911 2636 1 5 . 1 1 81 81 ALA CB C 267 18.247 18.247 18.692 -0.445 17911 2637 1 5 . 1 1 81 81 ALA H H 267 7.513 7.513 8.062 -0.549 17911 2638 1 5 . 1 1 82 82 LEU N N 268 119.844 119.844 120.724 -0.880 17911 2639 1 5 . 1 1 82 82 LEU HA H 268 3.924 3.924 3.975 -0.051 17911 2640 1 5 . 1 1 82 82 LEU CA C 268 57.613 57.613 57.585 0.028 17911 2641 1 5 . 1 1 82 82 LEU CB C 268 40.681 40.681 41.405 -0.724 17911 2642 1 5 . 1 1 82 82 LEU H H 268 8.304 8.304 8.380 -0.076 17911 2643 1 5 . 1 1 83 83 LYS N N 269 119.140 119.140 119.345 -0.205 17911 2644 1 5 . 1 1 83 83 LYS HA H 269 3.629 3.629 3.893 -0.264 17911 2645 1 5 . 1 1 83 83 LYS CA C 269 60.279 60.279 60.298 -0.019 17911 2646 1 5 . 1 1 83 83 LYS CB C 269 33.052 33.052 32.389 0.663 17911 2647 1 5 . 1 1 83 83 LYS H H 269 8.881 8.881 8.736 0.145 17911 2648 1 5 . 1 1 84 84 GLU N N 270 116.647 116.647 119.739 -3.092 17911 2649 1 5 . 1 1 84 84 GLU HA H 270 4.085 4.085 4.146 -0.061 17911 2650 1 5 . 1 1 84 84 GLU CA C 270 58.903 58.903 59.181 -0.278 17911 2651 1 5 . 1 1 84 84 GLU CB C 270 29.223 29.223 29.780 -0.558 17911 2652 1 5 . 1 1 84 84 GLU H H 270 7.107 7.107 7.581 -0.474 17911 2653 1 5 . 1 1 85 85 LEU N N 271 120.657 120.657 120.644 0.013 17911 2654 1 5 . 1 1 85 85 LEU HA H 271 3.992 3.992 3.991 0.001 17911 2655 1 5 . 1 1 85 85 LEU CA C 271 57.872 57.872 57.894 -0.021 17911 2656 1 5 . 1 1 85 85 LEU CB C 271 42.326 42.326 41.943 0.383 17911 2657 1 5 . 1 1 85 85 LEU H H 271 7.757 7.757 8.255 -0.498 17911 2658 1 5 . 1 1 86 86 LEU N N 272 119.651 119.651 118.400 1.251 17911 2659 1 5 . 1 1 86 86 LEU HA H 272 3.535 3.535 3.535 0.000 17911 2660 1 5 . 1 1 86 86 LEU CA C 272 57.356 57.356 57.224 0.132 17911 2661 1 5 . 1 1 86 86 LEU CB C 272 40.880 40.880 41.330 -0.450 17911 2662 1 5 . 1 1 86 86 LEU H H 272 8.336 8.336 8.397 -0.061 17911 2663 1 5 . 1 1 87 87 GLN N N 273 113.087 113.087 115.542 -2.455 17911 2664 1 5 . 1 1 87 87 GLN HA H 273 4.099 4.099 4.187 -0.088 17911 2665 1 5 . 1 1 87 87 GLN CA C 273 58.387 58.387 57.293 1.094 17911 2666 1 5 . 1 1 87 87 GLN CB C 273 30.159 30.159 29.824 0.335 17911 2667 1 5 . 1 1 87 87 GLN H H 273 7.422 7.422 7.656 -0.234 17911 2668 1 5 . 1 1 88 88 ASN N N 274 113.925 113.925 114.954 -1.029 17911 2669 1 5 . 1 1 88 88 ASN HA H 274 4.921 4.921 4.944 -0.023 17911 2670 1 5 . 1 1 88 88 ASN CA C 274 53.747 53.747 53.391 0.357 17911 2671 1 5 . 1 1 88 88 ASN CB C 274 40.625 40.625 41.113 -0.488 17911 2672 1 5 . 1 1 88 88 ASN H H 274 8.388 8.388 7.963 0.425 17911 2673 1 5 . 1 1 89 89 GLY N N 275 109.040 109.040 109.374 -0.334 17911 2674 1 5 . 1 1 89 89 GLY CA C 275 44.709 44.709 45.338 -0.629 17911 2675 1 5 . 1 1 89 89 GLY H H 275 7.698 7.698 8.237 -0.539 17911 2676 1 5 . 1 1 90 90 MET N N 276 115.183 115.183 116.537 -1.354 17911 2677 1 5 . 1 1 90 90 MET HA H 276 4.434 4.434 4.802 -0.368 17911 2678 1 5 . 1 1 90 90 MET CA C 276 56.791 56.791 55.248 1.544 17911 2679 1 5 . 1 1 90 90 MET CB C 276 33.637 33.637 33.687 -0.050 17911 2680 1 5 . 1 1 90 90 MET H H 276 8.599 8.599 8.099 0.500 17911 2681 1 5 . 1 1 91 91 ASN N N 277 118.020 118.020 121.178 -3.158 17911 2682 1 5 . 1 1 91 91 ASN HA H 277 4.301 4.301 4.386 -0.085 17911 2683 1 5 . 1 1 91 91 ASN CA C 277 53.983 53.983 54.203 -0.220 17911 2684 1 5 . 1 1 91 91 ASN CB C 277 37.987 37.987 37.383 0.604 17911 2685 1 5 . 1 1 91 91 ASN H H 277 9.033 9.033 8.745 0.288 17911 2686 1 5 . 1 1 92 92 GLY N N 278 104.906 104.906 102.770 2.136 17911 2687 1 5 . 1 1 92 92 GLY CA C 278 45.645 45.645 45.456 0.189 17911 2688 1 5 . 1 1 92 92 GLY H H 278 8.538 8.538 8.492 0.046 17911 2689 1 5 . 1 1 93 93 ARG N N 279 120.056 120.056 120.150 -0.094 17911 2690 1 5 . 1 1 93 93 ARG HA H 279 4.237 4.237 4.172 0.065 17911 2691 1 5 . 1 1 93 93 ARG CA C 279 55.344 55.344 56.451 -1.107 17911 2692 1 5 . 1 1 93 93 ARG CB C 279 31.491 31.491 30.692 0.799 17911 2693 1 5 . 1 1 93 93 ARG H H 279 7.257 7.257 7.814 -0.557 17911 2694 1 5 . 1 1 94 94 THR N N 280 106.223 106.223 111.276 -5.053 17911 2695 1 5 . 1 1 94 94 THR HA H 280 5.028 5.028 5.029 -0.001 17911 2696 1 5 . 1 1 94 94 THR CA C 280 59.684 59.684 61.341 -1.657 17911 2697 1 5 . 1 1 94 94 THR CB C 280 72.787 72.787 70.369 2.418 17911 2698 1 5 . 1 1 94 94 THR H H 280 7.726 7.726 8.357 -0.631 17911 2699 1 5 . 1 1 95 95 ILE N N 281 121.214 121.214 122.030 -0.816 17911 2700 1 5 . 1 1 95 95 ILE HA H 281 4.301 4.301 4.433 -0.132 17911 2701 1 5 . 1 1 95 95 ILE CA C 281 62.066 62.066 62.406 -0.340 17911 2702 1 5 . 1 1 95 95 ILE CB C 281 40.539 40.539 40.270 0.269 17911 2703 1 5 . 1 1 95 95 ILE H H 281 8.761 8.761 8.272 0.489 17911 2704 1 5 . 1 1 96 96 LEU N N 282 128.347 128.347 119.191 9.156 17911 2705 1 5 . 1 1 96 96 LEU HA H 282 3.850 3.850 4.427 -0.577 17911 2706 1 5 . 1 1 96 96 LEU CA C 282 55.344 55.344 54.207 1.137 17911 2707 1 5 . 1 1 96 96 LEU CB C 282 40.539 40.539 42.125 -1.586 17911 2708 1 5 . 1 1 96 96 LEU H H 282 9.905 9.905 7.952 1.953 17911 2709 1 5 . 1 1 97 97 GLY N N 283 103.322 103.322 107.732 -4.410 17911 2710 1 5 . 1 1 97 97 GLY CA C 283 45.645 45.645 45.245 0.400 17911 2711 1 5 . 1 1 97 97 GLY H H 283 8.937 8.937 8.507 0.430 17911 2712 1 5 . 1 1 98 98 SER N N 284 116.619 116.619 114.390 2.229 17911 2713 1 5 . 1 1 98 98 SER HA H 284 4.950 4.950 4.828 0.122 17911 2714 1 5 . 1 1 98 98 SER CA C 284 56.961 56.961 56.310 0.651 17911 2715 1 5 . 1 1 98 98 SER CB C 284 65.044 65.044 64.221 0.823 17911 2716 1 5 . 1 1 98 98 SER H H 284 8.612 8.612 7.992 0.620 17911 2717 1 5 . 1 1 99 99 THR N N 285 114.513 114.513 115.291 -0.778 17911 2718 1 5 . 1 1 99 99 THR HA H 285 4.598 4.598 4.647 -0.049 17911 2719 1 5 . 1 1 99 99 THR CA C 285 61.739 61.739 62.783 -1.044 17911 2720 1 5 . 1 1 99 99 THR CB C 285 69.214 69.214 68.678 0.536 17911 2721 1 5 . 1 1 99 99 THR H H 285 8.601 8.601 8.514 0.087 17911 2722 1 5 . 1 1 100 100 ILE N N 286 117.511 117.511 116.333 1.178 17911 2723 1 5 . 1 1 100 100 ILE HA H 286 4.496 4.496 4.636 -0.140 17911 2724 1 5 . 1 1 100 100 ILE CA C 286 59.173 59.173 59.779 -0.606 17911 2725 1 5 . 1 1 100 100 ILE CB C 286 41.887 41.887 41.131 0.756 17911 2726 1 5 . 1 1 100 100 ILE H H 286 7.931 7.931 7.239 0.692 17911 2727 1 5 . 1 1 101 101 LEU N N 287 121.101 121.101 119.180 1.921 17911 2728 1 5 . 1 1 101 101 LEU HA H 287 4.157 4.157 4.502 -0.345 17911 2729 1 5 . 1 1 101 101 LEU CA C 287 54.520 54.520 54.537 -0.017 17911 2730 1 5 . 1 1 101 101 LEU CB C 287 40.083 40.083 42.770 -2.687 17911 2731 1 5 . 1 1 101 101 LEU H H 287 8.025 8.025 7.988 0.037 17911 2732 1 5 . 1 1 102 102 GLU HA H 288 3.720 3.720 4.238 -0.518 17911 2733 1 5 . 1 1 102 102 GLU CA C 288 55.770 55.770 54.595 1.175 17911 2734 1 5 . 1 1 102 102 GLU CB C 288 29.904 29.904 32.604 -2.700 17911 2735 1 5 . 1 1 103 103 ASP N N 289 121.287 121.287 117.248 4.039 17911 2736 1 5 . 1 1 103 103 ASP HA H 289 4.513 4.513 4.666 -0.153 17911 2737 1 5 . 1 1 103 103 ASP CA C 289 52.281 52.281 53.260 -0.979 17911 2738 1 5 . 1 1 103 103 ASP CB C 289 42.922 42.922 40.795 2.127 17911 2739 1 5 . 1 1 103 103 ASP H H 289 8.014 8.014 8.511 -0.497 17911 2740 1 5 . 1 1 104 104 GLU N N 290 118.245 118.245 119.545 -1.300 17911 2741 1 5 . 1 1 104 104 GLU HA H 290 3.904 3.904 4.070 -0.166 17911 2742 1 5 . 1 1 104 104 GLU CA C 290 57.614 57.614 57.534 0.080 17911 2743 1 5 . 1 1 104 104 GLU CB C 290 30.499 30.499 29.671 0.828 17911 2744 1 5 . 1 1 104 104 GLU H H 290 7.432 7.432 8.483 -1.051 17911 2745 1 5 . 1 1 105 105 PHE N N 291 120.606 120.606 119.773 0.833 17911 2746 1 5 . 1 1 105 105 PHE HA H 291 4.838 4.838 4.532 0.306 17911 2747 1 5 . 1 1 105 105 PHE CA C 291 56.536 56.536 57.638 -1.102 17911 2748 1 5 . 1 1 105 105 PHE CB C 291 39.774 39.774 39.273 0.501 17911 2749 1 5 . 1 1 105 105 PHE H H 291 8.835 8.835 7.808 1.027 17911 2750 1 5 . 1 1 106 106 THR N N 292 111.349 111.349 114.731 -3.382 17911 2751 1 5 . 1 1 106 106 THR HA H 292 4.670 4.670 4.790 -0.120 17911 2752 1 5 . 1 1 106 106 THR CA C 292 59.344 59.344 58.855 0.489 17911 2753 1 5 . 1 1 106 106 THR CB C 292 69.299 69.299 68.612 0.687 17911 2754 1 5 . 1 1 106 106 THR H H 292 8.757 8.757 8.209 0.548 17911 2755 1 5 . 1 1 107 107 PRO HA H 293 3.988 3.988 4.281 -0.293 17911 2756 1 5 . 1 1 107 107 PRO CA C 293 65.606 65.606 64.816 0.790 17911 2757 1 5 . 1 1 107 107 PRO CB C 293 31.321 31.321 31.657 -0.336 17911 2758 1 5 . 1 1 108 108 PHE N N 294 114.627 114.627 114.958 -0.331 17911 2759 1 5 . 1 1 108 108 PHE HA H 294 4.201 4.201 4.162 0.039 17911 2760 1 5 . 1 1 108 108 PHE CA C 294 59.676 59.676 59.527 0.149 17911 2761 1 5 . 1 1 108 108 PHE CB C 294 38.582 38.582 37.251 1.331 17911 2762 1 5 . 1 1 108 108 PHE H H 294 7.310 7.310 8.103 -0.793 17911 2763 1 5 . 1 1 109 109 ASP N N 295 120.210 120.210 119.526 0.684 17911 2764 1 5 . 1 1 109 109 ASP HA H 295 4.404 4.404 4.411 -0.007 17911 2765 1 5 . 1 1 109 109 ASP CA C 295 57.098 57.098 57.570 -0.472 17911 2766 1 5 . 1 1 109 109 ASP CB C 295 41.475 41.475 40.660 0.814 17911 2767 1 5 . 1 1 109 109 ASP H H 295 7.837 7.837 7.798 0.039 17911 2768 1 5 . 1 1 110 110 VAL N N 296 119.070 119.070 118.685 0.385 17911 2769 1 5 . 1 1 110 110 VAL HA H 296 3.602 3.602 3.767 -0.165 17911 2770 1 5 . 1 1 110 110 VAL CA C 296 66.491 66.491 65.900 0.591 17911 2771 1 5 . 1 1 110 110 VAL CB C 296 31.605 31.605 31.327 0.278 17911 2772 1 5 . 1 1 110 110 VAL H H 296 7.945 7.945 7.646 0.299 17911 2773 1 5 . 1 1 111 111 VAL N N 297 119.540 119.540 119.438 0.102 17911 2774 1 5 . 1 1 111 111 VAL HA H 297 3.601 3.601 3.898 -0.297 17911 2775 1 5 . 1 1 111 111 VAL CA C 297 66.379 66.379 65.940 0.439 17911 2776 1 5 . 1 1 111 111 VAL CB C 297 31.605 31.605 31.455 0.150 17911 2777 1 5 . 1 1 111 111 VAL H H 297 8.109 8.109 7.493 0.616 17911 2778 1 5 . 1 1 112 112 ARG N N 298 119.680 119.680 119.583 0.097 17911 2779 1 5 . 1 1 112 112 ARG HA H 298 4.010 4.010 4.055 -0.045 17911 2780 1 5 . 1 1 112 112 ARG CA C 298 58.634 58.634 58.910 -0.276 17911 2781 1 5 . 1 1 112 112 ARG CB C 298 30.028 30.028 30.249 -0.221 17911 2782 1 5 . 1 1 112 112 ARG H H 298 7.710 7.710 8.280 -0.570 17911 2783 1 5 . 1 1 113 113 GLN N N 299 117.786 117.786 117.978 -0.192 17911 2784 1 5 . 1 1 113 113 GLN HA H 299 4.158 4.158 4.427 -0.269 17911 2785 1 5 . 1 1 113 113 GLN CA C 299 57.557 57.557 54.136 3.421 17911 2786 1 5 . 1 1 113 113 GLN CB C 299 29.308 29.308 27.801 1.507 17911 2787 1 5 . 1 1 113 113 GLN H H 299 8.033 8.033 8.140 -0.107 17911 2788 1 5 . 1 1 114 114 CYS N N 300 115.786 115.786 119.079 -3.293 17911 2789 1 5 . 1 1 114 114 CYS HA H 300 4.470 4.470 4.258 0.212 17911 2790 1 5 . 1 1 114 114 CYS CA C 300 59.934 59.934 61.510 -1.576 17911 2791 1 5 . 1 1 114 114 CYS CB C 300 28.293 28.293 27.890 0.403 17911 2792 1 5 . 1 1 114 114 CYS H H 300 8.071 8.071 7.541 0.530 17911 2793 1 5 . 1 1 115 115 SER N N 301 116.258 116.258 111.139 5.119 17911 2794 1 5 . 1 1 115 115 SER HA H 301 4.407 4.407 4.546 -0.139 17911 2795 1 5 . 1 1 115 115 SER CA C 301 59.485 59.485 57.717 1.768 17911 2796 1 5 . 1 1 115 115 SER CB C 301 63.286 63.286 64.344 -1.058 17911 2797 1 5 . 1 1 115 115 SER H H 301 7.883 7.883 7.939 -0.056 17911 2798 1 5 . 1 1 116 116 GLY N N 302 110.709 110.709 109.624 1.085 17911 2799 1 5 . 1 1 116 116 GLY CA C 302 45.239 45.239 45.490 -0.251 17911 2800 1 5 . 1 1 116 116 GLY H H 302 8.355 8.355 8.136 0.219 17911 2801 1 5 . 1 1 117 117 VAL N N 303 119.189 119.189 118.670 0.519 17911 2802 1 5 . 1 1 117 117 VAL HA H 303 4.057 4.057 3.785 0.272 17911 2803 1 5 . 1 1 117 117 VAL CA C 303 62.236 62.236 64.946 -2.710 17911 2804 1 5 . 1 1 117 117 VAL CB C 303 32.626 32.626 31.152 1.474 17911 2805 1 5 . 1 1 117 117 VAL H H 303 7.710 7.710 7.834 -0.124 17911 2806 1 5 . 1 1 118 118 THR N N 304 118.009 118.009 109.507 8.502 17911 2807 1 5 . 1 1 118 118 THR HA H 304 4.279 4.279 3.947 0.332 17911 2808 1 5 . 1 1 118 118 THR CA C 304 61.556 61.556 63.890 -2.334 17911 2809 1 5 . 1 1 118 118 THR CB C 304 69.894 69.894 68.595 1.299 17911 2810 1 5 . 1 1 118 118 THR H H 304 8.109 8.109 7.925 0.184 17911 2811 1 5 . 1 1 119 119 PHE N N 305 123.287 123.287 120.473 2.814 17911 2812 1 5 . 1 1 119 119 PHE HA H 305 4.605 4.605 4.912 -0.307 17911 2813 1 5 . 1 1 119 119 PHE CA C 305 57.727 57.727 56.605 1.121 17911 2814 1 5 . 1 1 119 119 PHE CB C 305 39.859 39.859 39.413 0.446 17911 2815 1 5 . 1 1 119 119 PHE H H 305 8.298 8.298 8.133 0.165 17911 2816 1 6 . 1 1 2 2 ARG N N 188 121.886 121.886 124.725 -2.839 17911 2817 1 6 . 1 1 2 2 ARG HA H 188 4.242 4.242 4.333 -0.091 17911 2818 1 6 . 1 1 2 2 ARG CA C 188 56.487 56.487 57.808 -1.321 17911 2819 1 6 . 1 1 2 2 ARG CB C 188 30.857 30.857 30.182 0.675 17911 2820 1 6 . 1 1 2 2 ARG H H 188 8.475 8.475 8.674 -0.199 17911 2821 1 6 . 1 1 3 3 GLN N N 189 121.336 121.336 117.501 3.835 17911 2822 1 6 . 1 1 3 3 GLN HA H 189 4.302 4.302 4.192 0.110 17911 2823 1 6 . 1 1 3 3 GLN CA C 189 56.366 56.366 57.885 -1.519 17911 2824 1 6 . 1 1 3 3 GLN CB C 189 29.254 29.254 28.991 0.263 17911 2825 1 6 . 1 1 3 3 GLN H H 189 8.553 8.553 8.376 0.177 17911 2826 1 6 . 1 1 4 4 THR N N 190 115.273 115.273 109.995 5.278 17911 2827 1 6 . 1 1 4 4 THR HA H 190 4.275 4.275 4.463 -0.188 17911 2828 1 6 . 1 1 4 4 THR CA C 190 62.066 62.066 61.870 0.196 17911 2829 1 6 . 1 1 4 4 THR CB C 190 69.894 69.894 70.260 -0.366 17911 2830 1 6 . 1 1 4 4 THR H H 190 8.123 8.123 7.797 0.326 17911 2831 1 6 . 1 1 5 5 ALA N N 191 126.029 126.029 124.100 1.929 17911 2832 1 6 . 1 1 5 5 ALA HA H 191 4.247 4.247 4.700 -0.453 17911 2833 1 6 . 1 1 5 5 ALA CA C 191 52.537 52.537 51.236 1.301 17911 2834 1 6 . 1 1 5 5 ALA CB C 191 19.183 19.183 21.694 -2.511 17911 2835 1 6 . 1 1 5 5 ALA H H 191 8.284 8.284 7.847 0.437 17911 2836 1 6 . 1 1 6 6 GLN N N 192 119.614 119.614 117.574 2.040 17911 2837 1 6 . 1 1 6 6 GLN HA H 192 4.217 4.217 4.542 -0.325 17911 2838 1 6 . 1 1 6 6 GLN CA C 192 55.685 55.685 54.956 0.729 17911 2839 1 6 . 1 1 6 6 GLN CB C 192 29.513 29.513 31.134 -1.621 17911 2840 1 6 . 1 1 6 6 GLN H H 192 8.287 8.287 8.484 -0.197 17911 2841 1 6 . 1 1 7 7 ALA N N 193 125.571 125.571 122.756 2.815 17911 2842 1 6 . 1 1 7 7 ALA HA H 193 4.246 4.246 4.307 -0.061 17911 2843 1 6 . 1 1 7 7 ALA CA C 193 52.537 52.537 53.210 -0.673 17911 2844 1 6 . 1 1 7 7 ALA CB C 193 19.268 19.268 18.864 0.404 17911 2845 1 6 . 1 1 7 7 ALA H H 193 8.271 8.271 8.555 -0.284 17911 2846 1 6 . 1 1 8 8 ALA N N 194 123.461 123.461 120.548 2.913 17911 2847 1 6 . 1 1 8 8 ALA HA H 194 4.250 4.250 4.568 -0.318 17911 2848 1 6 . 1 1 8 8 ALA CA C 194 52.593 52.593 51.216 1.377 17911 2849 1 6 . 1 1 8 8 ALA CB C 194 19.324 19.324 20.854 -1.530 17911 2850 1 6 . 1 1 8 8 ALA H H 194 8.275 8.275 7.301 0.974 17911 2851 1 6 . 1 1 9 9 GLY N N 195 108.312 108.312 107.212 1.100 17911 2852 1 6 . 1 1 9 9 GLY CA C 195 45.219 45.219 45.967 -0.748 17911 2853 1 6 . 1 1 9 9 GLY H H 195 8.328 8.328 8.789 -0.461 17911 2854 1 6 . 1 1 10 10 THR N N 196 112.710 112.710 111.840 0.870 17911 2855 1 6 . 1 1 10 10 THR HA H 196 4.334 4.334 4.485 -0.151 17911 2856 1 6 . 1 1 10 10 THR CA C 196 61.471 61.471 60.020 1.451 17911 2857 1 6 . 1 1 10 10 THR CB C 196 69.894 69.894 71.103 -1.209 17911 2858 1 6 . 1 1 10 10 THR H H 196 7.998 7.998 7.986 0.012 17911 2859 1 6 . 1 1 11 11 ASP N N 197 122.862 122.862 122.135 0.727 17911 2860 1 6 . 1 1 11 11 ASP HA H 197 4.609 4.609 4.635 -0.026 17911 2861 1 6 . 1 1 11 11 ASP CA C 197 54.262 54.262 53.432 0.830 17911 2862 1 6 . 1 1 11 11 ASP CB C 197 41.135 41.135 39.733 1.402 17911 2863 1 6 . 1 1 11 11 ASP H H 197 8.404 8.404 8.540 -0.136 17911 2864 1 6 . 1 1 12 12 THR N N 198 114.709 114.709 109.802 4.907 17911 2865 1 6 . 1 1 12 12 THR HA H 198 4.400 4.400 4.111 0.289 17911 2866 1 6 . 1 1 12 12 THR CA C 198 61.223 61.223 62.955 -1.732 17911 2867 1 6 . 1 1 12 12 THR CB C 198 70.490 70.490 68.350 2.140 17911 2868 1 6 . 1 1 12 12 THR H H 198 7.895 7.895 7.459 0.436 17911 2869 1 6 . 1 1 13 13 THR N N 199 122.785 122.785 114.768 8.017 17911 2870 1 6 . 1 1 13 13 THR HA H 199 3.961 3.961 4.542 -0.581 17911 2871 1 6 . 1 1 13 13 THR CA C 199 63.286 63.286 61.311 1.975 17911 2872 1 6 . 1 1 13 13 THR CB C 199 68.958 68.958 71.132 -2.174 17911 2873 1 6 . 1 1 13 13 THR H H 199 8.354 8.354 8.130 0.224 17911 2874 1 6 . 1 1 14 14 ILE N N 200 127.902 127.902 128.623 -0.721 17911 2875 1 6 . 1 1 14 14 ILE HA H 200 3.807 3.807 4.075 -0.268 17911 2876 1 6 . 1 1 14 14 ILE CA C 200 60.965 60.965 61.808 -0.843 17911 2877 1 6 . 1 1 14 14 ILE CB C 200 35.860 35.860 35.967 -0.107 17911 2878 1 6 . 1 1 14 14 ILE H H 200 9.362 9.362 9.368 -0.006 17911 2879 1 6 . 1 1 15 15 THR N N 201 130.379 130.379 123.716 6.663 17911 2880 1 6 . 1 1 15 15 THR HA H 201 3.521 3.521 4.033 -0.512 17911 2881 1 6 . 1 1 15 15 THR CA C 201 66.637 66.637 67.106 -0.469 17911 2882 1 6 . 1 1 15 15 THR CB C 201 67.411 67.411 68.530 -1.119 17911 2883 1 6 . 1 1 15 15 THR H H 201 7.834 7.834 8.109 -0.275 17911 2884 1 6 . 1 1 16 16 LEU N N 202 120.049 120.049 121.389 -1.340 17911 2885 1 6 . 1 1 16 16 LEU HA H 202 3.715 3.715 4.099 -0.384 17911 2886 1 6 . 1 1 16 16 LEU CA C 202 58.387 58.387 58.699 -0.312 17911 2887 1 6 . 1 1 16 16 LEU CB C 202 43.148 43.148 41.731 1.417 17911 2888 1 6 . 1 1 16 16 LEU H H 202 8.913 8.913 8.503 0.410 17911 2889 1 6 . 1 1 17 17 ASN N N 203 117.390 117.390 117.421 -0.031 17911 2890 1 6 . 1 1 17 17 ASN HA H 203 4.594 4.594 4.688 -0.094 17911 2891 1 6 . 1 1 17 17 ASN CA C 203 54.520 54.520 55.801 -1.281 17911 2892 1 6 . 1 1 17 17 ASN CB C 203 37.246 37.246 37.995 -0.749 17911 2893 1 6 . 1 1 17 17 ASN H H 203 6.926 6.926 8.018 -1.092 17911 2894 1 6 . 1 1 18 18 VAL N N 204 123.434 123.434 122.126 1.308 17911 2895 1 6 . 1 1 18 18 VAL HA H 204 4.242 4.242 4.057 0.185 17911 2896 1 6 . 1 1 18 18 VAL CA C 204 66.236 66.236 66.294 -0.059 17911 2897 1 6 . 1 1 18 18 VAL CB C 204 31.605 31.605 31.351 0.254 17911 2898 1 6 . 1 1 18 18 VAL H H 204 7.660 7.660 7.709 -0.049 17911 2899 1 6 . 1 1 19 19 LEU N N 205 117.301 117.301 120.482 -3.181 17911 2900 1 6 . 1 1 19 19 LEU HA H 205 3.945 3.945 3.894 0.051 17911 2901 1 6 . 1 1 19 19 LEU CA C 205 58.408 58.408 58.398 0.010 17911 2902 1 6 . 1 1 19 19 LEU CB C 205 42.918 42.918 41.032 1.886 17911 2903 1 6 . 1 1 19 19 LEU H H 205 8.573 8.573 8.635 -0.062 17911 2904 1 6 . 1 1 20 20 ALA N N 206 120.290 120.290 122.130 -1.840 17911 2905 1 6 . 1 1 20 20 ALA HA H 206 4.012 4.012 4.181 -0.169 17911 2906 1 6 . 1 1 20 20 ALA CA C 206 56.195 56.195 55.420 0.775 17911 2907 1 6 . 1 1 20 20 ALA CB C 206 17.911 17.911 18.326 -0.415 17911 2908 1 6 . 1 1 20 20 ALA H H 206 8.188 8.188 8.485 -0.297 17911 2909 1 6 . 1 1 21 21 TRP N N 207 121.219 121.219 120.747 0.472 17911 2910 1 6 . 1 1 21 21 TRP HA H 207 4.110 4.110 4.156 -0.046 17911 2911 1 6 . 1 1 21 21 TRP CA C 207 61.224 61.224 61.936 -0.712 17911 2912 1 6 . 1 1 21 21 TRP CB C 207 28.712 28.712 29.393 -0.681 17911 2913 1 6 . 1 1 21 21 TRP H H 207 8.406 8.406 8.360 0.046 17911 2914 1 6 . 1 1 22 22 LEU HA H 208 3.517 3.517 3.664 -0.147 17911 2915 1 6 . 1 1 22 22 LEU CA C 208 57.897 57.897 57.926 -0.029 17911 2916 1 6 . 1 1 22 22 LEU CB C 208 40.880 40.880 41.338 -0.458 17911 2917 1 6 . 1 1 22 22 LEU H H 208 8.620 8.620 8.618 0.002 17911 2918 1 6 . 1 1 23 23 TYR N N 209 117.656 117.656 119.013 -1.357 17911 2919 1 6 . 1 1 23 23 TYR HA H 209 3.956 3.956 4.115 -0.159 17911 2920 1 6 . 1 1 23 23 TYR CA C 209 64.704 64.704 61.916 2.788 17911 2921 1 6 . 1 1 23 23 TYR CB C 209 38.793 38.793 37.487 1.306 17911 2922 1 6 . 1 1 23 23 TYR H H 209 8.368 8.368 8.476 -0.108 17911 2923 1 6 . 1 1 24 24 ALA N N 210 122.658 122.658 121.392 1.266 17911 2924 1 6 . 1 1 24 24 ALA HA H 210 3.837 3.837 3.832 0.005 17911 2925 1 6 . 1 1 24 24 ALA CA C 210 55.036 55.036 54.836 0.200 17911 2926 1 6 . 1 1 24 24 ALA CB C 210 17.311 17.311 17.643 -0.332 17911 2927 1 6 . 1 1 24 24 ALA H H 210 8.461 8.461 8.236 0.225 17911 2928 1 6 . 1 1 25 25 ALA N N 211 123.868 123.868 121.796 2.072 17911 2929 1 6 . 1 1 25 25 ALA HA H 211 3.761 3.761 3.692 0.069 17911 2930 1 6 . 1 1 25 25 ALA CA C 211 55.551 55.551 54.810 0.741 17911 2931 1 6 . 1 1 25 25 ALA CB C 211 17.992 17.992 18.056 -0.064 17911 2932 1 6 . 1 1 25 25 ALA H H 211 8.564 8.564 7.738 0.826 17911 2933 1 6 . 1 1 26 26 VAL N N 212 119.783 119.783 118.991 0.792 17911 2934 1 6 . 1 1 26 26 VAL HA H 212 3.487 3.487 3.522 -0.035 17911 2935 1 6 . 1 1 26 26 VAL CA C 212 66.576 66.576 66.327 0.249 17911 2936 1 6 . 1 1 26 26 VAL CB C 212 31.575 31.575 31.763 -0.188 17911 2937 1 6 . 1 1 26 26 VAL H H 212 8.008 8.008 8.020 -0.012 17911 2938 1 6 . 1 1 27 27 ILE N N 213 124.428 124.428 116.884 7.544 17911 2939 1 6 . 1 1 27 27 ILE HA H 213 3.559 3.559 3.722 -0.163 17911 2940 1 6 . 1 1 27 27 ILE CA C 213 65.526 65.526 64.221 1.305 17911 2941 1 6 . 1 1 27 27 ILE CB C 213 37.902 37.902 37.877 0.025 17911 2942 1 6 . 1 1 27 27 ILE H H 213 8.576 8.576 8.154 0.422 17911 2943 1 6 . 1 1 28 28 ASN N N 214 116.563 116.563 116.300 0.263 17911 2944 1 6 . 1 1 28 28 ASN HA H 214 4.565 4.565 4.598 -0.033 17911 2945 1 6 . 1 1 28 28 ASN CA C 214 54.579 54.579 54.911 -0.332 17911 2946 1 6 . 1 1 28 28 ASN CB C 214 40.340 40.340 40.343 -0.002 17911 2947 1 6 . 1 1 28 28 ASN H H 214 7.714 7.714 8.036 -0.322 17911 2948 1 6 . 1 1 29 29 GLY N N 215 107.004 107.004 106.088 0.916 17911 2949 1 6 . 1 1 29 29 GLY CA C 215 45.683 45.683 45.038 0.645 17911 2950 1 6 . 1 1 29 29 GLY H H 215 7.861 7.861 8.330 -0.469 17911 2951 1 6 . 1 1 30 30 ASP N N 216 125.780 125.780 124.524 1.256 17911 2952 1 6 . 1 1 30 30 ASP HA H 216 5.019 5.019 4.622 0.397 17911 2953 1 6 . 1 1 30 30 ASP CA C 216 53.643 53.643 54.863 -1.220 17911 2954 1 6 . 1 1 30 30 ASP CB C 216 41.561 41.561 39.973 1.588 17911 2955 1 6 . 1 1 30 30 ASP H H 216 8.560 8.560 7.906 0.654 17911 2956 1 6 . 1 1 31 31 ARG N N 217 115.297 115.297 120.570 -5.273 17911 2957 1 6 . 1 1 31 31 ARG HA H 217 3.711 3.711 3.164 0.547 17911 2958 1 6 . 1 1 31 31 ARG CA C 217 54.520 54.520 55.089 -0.569 17911 2959 1 6 . 1 1 31 31 ARG CB C 217 32.116 32.116 30.892 1.224 17911 2960 1 6 . 1 1 31 31 ARG H H 217 7.984 7.984 7.265 0.719 17911 2961 1 6 . 1 1 32 32 TRP N N 218 119.754 119.754 120.344 -0.590 17911 2962 1 6 . 1 1 32 32 TRP HA H 218 4.120 4.120 4.313 -0.193 17911 2963 1 6 . 1 1 32 32 TRP CA C 218 58.387 58.387 58.190 0.197 17911 2964 1 6 . 1 1 32 32 TRP CB C 218 28.372 28.372 28.498 -0.126 17911 2965 1 6 . 1 1 32 32 TRP H H 218 7.368 7.368 7.229 0.139 17911 2966 1 6 . 1 1 33 33 PHE HA H 219 3.919 3.919 4.611 -0.692 17911 2967 1 6 . 1 1 33 33 PHE CA C 219 55.315 55.315 56.540 -1.225 17911 2968 1 6 . 1 1 33 33 PHE CB C 219 37.277 37.277 37.080 0.197 17911 2969 1 6 . 1 1 34 34 LEU N N 220 122.632 122.632 121.608 1.024 17911 2970 1 6 . 1 1 34 34 LEU HA H 220 3.931 3.931 4.094 -0.163 17911 2971 1 6 . 1 1 34 34 LEU CA C 220 55.315 55.315 55.413 -0.099 17911 2972 1 6 . 1 1 34 34 LEU CB C 220 40.790 40.790 42.073 -1.283 17911 2973 1 6 . 1 1 34 34 LEU H H 220 6.447 6.447 7.233 -0.786 17911 2974 1 6 . 1 1 35 35 ASN N N 221 119.503 119.503 119.481 0.022 17911 2975 1 6 . 1 1 35 35 ASN HA H 221 4.709 4.709 4.910 -0.201 17911 2976 1 6 . 1 1 35 35 ASN CA C 221 52.026 52.026 52.329 -0.303 17911 2977 1 6 . 1 1 35 35 ASN CB C 221 40.598 40.598 40.029 0.569 17911 2978 1 6 . 1 1 35 35 ASN H H 221 8.105 8.105 8.094 0.011 17911 2979 1 6 . 1 1 36 36 ARG N N 222 116.408 116.408 117.397 -0.989 17911 2980 1 6 . 1 1 36 36 ARG HA H 222 4.293 4.293 4.821 -0.528 17911 2981 1 6 . 1 1 36 36 ARG CA C 222 55.600 55.600 55.378 0.222 17911 2982 1 6 . 1 1 36 36 ARG CB C 222 28.997 28.997 30.337 -1.340 17911 2983 1 6 . 1 1 36 36 ARG H H 222 8.099 8.099 8.604 -0.505 17911 2984 1 6 . 1 1 37 37 PHE N N 223 120.398 120.398 122.956 -2.558 17911 2985 1 6 . 1 1 37 37 PHE HA H 223 4.813 4.813 4.415 0.398 17911 2986 1 6 . 1 1 37 37 PHE CA C 223 56.081 56.081 60.165 -4.084 17911 2987 1 6 . 1 1 37 37 PHE CB C 223 40.085 40.085 39.893 0.192 17911 2988 1 6 . 1 1 37 37 PHE H H 223 7.842 7.842 8.937 -1.095 17911 2989 1 6 . 1 1 38 38 THR N N 224 112.040 112.040 114.336 -2.296 17911 2990 1 6 . 1 1 38 38 THR HA H 224 4.653 4.653 3.985 0.668 17911 2991 1 6 . 1 1 38 38 THR CA C 224 60.708 60.708 63.427 -2.719 17911 2992 1 6 . 1 1 38 38 THR CB C 224 71.000 71.000 67.328 3.672 17911 2993 1 6 . 1 1 38 38 THR H H 224 8.231 8.231 8.393 -0.162 17911 2994 1 6 . 1 1 39 39 THR N N 225 116.627 116.627 117.602 -0.975 17911 2995 1 6 . 1 1 39 39 THR HA H 225 4.925 4.925 4.228 0.697 17911 2996 1 6 . 1 1 39 39 THR CA C 225 59.677 59.677 63.416 -3.739 17911 2997 1 6 . 1 1 39 39 THR CB C 225 69.989 69.989 70.354 -0.365 17911 2998 1 6 . 1 1 39 39 THR H H 225 8.107 8.107 7.933 0.174 17911 2999 1 6 . 1 1 40 40 THR N N 226 111.263 111.263 116.677 -5.414 17911 3000 1 6 . 1 1 40 40 THR HA H 226 4.727 4.727 4.347 0.380 17911 3001 1 6 . 1 1 40 40 THR CA C 226 59.740 59.740 61.637 -1.897 17911 3002 1 6 . 1 1 40 40 THR CB C 226 72.052 72.052 70.133 1.919 17911 3003 1 6 . 1 1 40 40 THR H H 226 8.481 8.481 8.241 0.240 17911 3004 1 6 . 1 1 41 41 LEU N N 227 123.989 123.989 125.891 -1.902 17911 3005 1 6 . 1 1 41 41 LEU HA H 227 3.986 3.986 4.215 -0.229 17911 3006 1 6 . 1 1 41 41 LEU CA C 227 58.903 58.903 58.128 0.775 17911 3007 1 6 . 1 1 41 41 LEU CB C 227 41.561 41.561 42.044 -0.483 17911 3008 1 6 . 1 1 41 41 LEU H H 227 9.259 9.259 8.907 0.352 17911 3009 1 6 . 1 1 42 42 ASN N N 228 115.183 115.183 117.247 -2.064 17911 3010 1 6 . 1 1 42 42 ASN HA H 228 4.435 4.435 4.441 -0.006 17911 3011 1 6 . 1 1 42 42 ASN CA C 228 56.961 56.961 57.844 -0.883 17911 3012 1 6 . 1 1 42 42 ASN CB C 228 38.497 38.497 37.886 0.611 17911 3013 1 6 . 1 1 42 42 ASN H H 228 8.598 8.598 8.472 0.126 17911 3014 1 6 . 1 1 43 43 ASP N N 229 118.746 118.746 120.587 -1.841 17911 3015 1 6 . 1 1 43 43 ASP HA H 229 4.367 4.367 4.446 -0.079 17911 3016 1 6 . 1 1 43 43 ASP CA C 229 57.387 57.387 57.325 0.062 17911 3017 1 6 . 1 1 43 43 ASP CB C 229 40.625 40.625 41.020 -0.395 17911 3018 1 6 . 1 1 43 43 ASP H H 229 7.847 7.847 8.011 -0.164 17911 3019 1 6 . 1 1 44 44 PHE N N 230 120.193 120.193 120.839 -0.646 17911 3020 1 6 . 1 1 44 44 PHE HA H 230 3.808 3.808 4.118 -0.310 17911 3021 1 6 . 1 1 44 44 PHE CA C 230 62.747 62.747 61.778 0.969 17911 3022 1 6 . 1 1 44 44 PHE CB C 230 38.753 38.753 39.230 -0.477 17911 3023 1 6 . 1 1 44 44 PHE H H 230 8.547 8.547 8.381 0.166 17911 3024 1 6 . 1 1 45 45 ASN N N 231 118.852 118.852 118.370 0.482 17911 3025 1 6 . 1 1 45 45 ASN HA H 231 4.472 4.472 4.246 0.226 17911 3026 1 6 . 1 1 45 45 ASN CA C 231 55.344 55.344 56.201 -0.857 17911 3027 1 6 . 1 1 45 45 ASN CB C 231 37.391 37.391 38.140 -0.749 17911 3028 1 6 . 1 1 45 45 ASN H H 231 8.727 8.727 8.523 0.204 17911 3029 1 6 . 1 1 46 46 LEU N N 232 120.221 120.221 121.192 -0.971 17911 3030 1 6 . 1 1 46 46 LEU HA H 232 4.065 4.065 4.028 0.037 17911 3031 1 6 . 1 1 46 46 LEU CA C 232 58.152 58.152 58.041 0.111 17911 3032 1 6 . 1 1 46 46 LEU CB C 232 42.071 42.071 41.804 0.267 17911 3033 1 6 . 1 1 46 46 LEU H H 232 7.516 7.516 8.633 -1.117 17911 3034 1 6 . 1 1 47 47 VAL N N 233 119.649 119.649 118.475 1.174 17911 3035 1 6 . 1 1 47 47 VAL HA H 233 3.604 3.604 3.614 -0.010 17911 3036 1 6 . 1 1 47 47 VAL CA C 233 65.864 65.864 65.547 0.317 17911 3037 1 6 . 1 1 47 47 VAL CB C 233 31.575 31.575 30.775 0.800 17911 3038 1 6 . 1 1 47 47 VAL H H 233 6.987 6.987 8.027 -1.040 17911 3039 1 6 . 1 1 48 48 ALA N N 234 122.056 122.056 123.233 -1.177 17911 3040 1 6 . 1 1 48 48 ALA HA H 234 3.451 3.451 3.780 -0.329 17911 3041 1 6 . 1 1 48 48 ALA CA C 234 55.741 55.741 55.140 0.601 17911 3042 1 6 . 1 1 48 48 ALA CB C 234 16.971 16.971 18.314 -1.343 17911 3043 1 6 . 1 1 48 48 ALA H H 234 8.480 8.480 8.071 0.409 17911 3044 1 6 . 1 1 49 49 MET N N 235 114.180 114.180 118.184 -4.004 17911 3045 1 6 . 1 1 49 49 MET HA H 235 4.272 4.272 4.025 0.247 17911 3046 1 6 . 1 1 49 49 MET CA C 235 59.003 59.003 59.173 -0.170 17911 3047 1 6 . 1 1 49 49 MET CB C 235 32.967 32.967 32.518 0.449 17911 3048 1 6 . 1 1 49 49 MET H H 235 7.950 7.950 8.379 -0.429 17911 3049 1 6 . 1 1 50 50 LYS N N 236 120.217 120.217 120.096 0.121 17911 3050 1 6 . 1 1 50 50 LYS HA H 236 3.945 3.945 3.829 0.116 17911 3051 1 6 . 1 1 50 50 LYS CA C 236 58.378 58.378 58.655 -0.277 17911 3052 1 6 . 1 1 50 50 LYS CB C 236 31.833 31.833 32.377 -0.544 17911 3053 1 6 . 1 1 50 50 LYS H H 236 7.378 7.378 8.101 -0.723 17911 3054 1 6 . 1 1 51 51 TYR N N 237 115.853 115.853 115.087 0.766 17911 3055 1 6 . 1 1 51 51 TYR HA H 237 4.462 4.462 4.649 -0.187 17911 3056 1 6 . 1 1 51 51 TYR CA C 237 58.293 58.293 57.026 1.267 17911 3057 1 6 . 1 1 51 51 TYR CB C 237 38.668 38.668 37.824 0.844 17911 3058 1 6 . 1 1 51 51 TYR H H 237 7.392 7.392 7.394 -0.002 17911 3059 1 6 . 1 1 52 52 ASN N N 238 115.965 115.965 115.440 0.525 17911 3060 1 6 . 1 1 52 52 ASN HA H 238 4.403 4.403 4.296 0.107 17911 3061 1 6 . 1 1 52 52 ASN CA C 238 54.834 54.834 54.271 0.563 17911 3062 1 6 . 1 1 52 52 ASN CB C 238 36.881 36.881 37.675 -0.794 17911 3063 1 6 . 1 1 52 52 ASN H H 238 7.914 7.914 7.878 0.036 17911 3064 1 6 . 1 1 53 53 TYR N N 239 120.379 120.379 119.364 1.015 17911 3065 1 6 . 1 1 53 53 TYR HA H 239 4.675 4.675 4.270 0.405 17911 3066 1 6 . 1 1 53 53 TYR CA C 239 57.387 57.387 58.505 -1.118 17911 3067 1 6 . 1 1 53 53 TYR CB C 239 37.788 37.788 38.475 -0.687 17911 3068 1 6 . 1 1 53 53 TYR H H 239 8.341 8.341 8.145 0.196 17911 3069 1 6 . 1 1 54 54 GLU N N 240 122.559 122.559 122.505 0.054 17911 3070 1 6 . 1 1 54 54 GLU HA H 240 4.317 4.317 4.318 -0.001 17911 3071 1 6 . 1 1 54 54 GLU CA C 240 54.579 54.579 56.033 -1.454 17911 3072 1 6 . 1 1 54 54 GLU CB C 240 30.802 30.802 29.564 1.238 17911 3073 1 6 . 1 1 54 54 GLU H H 240 8.114 8.114 8.512 -0.398 17911 3074 1 6 . 1 1 55 55 PRO HA H 241 4.314 4.314 4.459 -0.145 17911 3075 1 6 . 1 1 55 55 PRO CA C 241 62.973 62.973 62.622 0.351 17911 3076 1 6 . 1 1 55 55 PRO CB C 241 31.917 31.917 32.687 -0.770 17911 3077 1 6 . 1 1 56 56 LEU N N 242 124.468 124.468 119.817 4.651 17911 3078 1 6 . 1 1 56 56 LEU HA H 242 5.200 5.200 4.711 0.489 17911 3079 1 6 . 1 1 56 56 LEU CA C 242 53.747 53.747 53.933 -0.186 17911 3080 1 6 . 1 1 56 56 LEU CB C 242 45.560 45.560 46.516 -0.956 17911 3081 1 6 . 1 1 56 56 LEU H H 242 9.650 9.650 9.112 0.538 17911 3082 1 6 . 1 1 57 57 THR N N 243 116.700 116.700 113.380 3.320 17911 3083 1 6 . 1 1 57 57 THR HA H 243 4.664 4.664 4.888 -0.224 17911 3084 1 6 . 1 1 57 57 THR CA C 243 59.429 59.429 59.862 -0.433 17911 3085 1 6 . 1 1 57 57 THR CB C 243 71.851 71.851 71.694 0.157 17911 3086 1 6 . 1 1 57 57 THR H H 243 9.279 9.279 8.580 0.699 17911 3087 1 6 . 1 1 58 58 GLN N N 244 119.764 119.764 121.570 -1.806 17911 3088 1 6 . 1 1 58 58 GLN HA H 244 3.827 3.827 4.062 -0.235 17911 3089 1 6 . 1 1 58 58 GLN CA C 244 58.130 58.130 59.446 -1.316 17911 3090 1 6 . 1 1 58 58 GLN CB C 244 27.777 27.777 28.344 -0.567 17911 3091 1 6 . 1 1 58 58 GLN H H 244 8.959 8.959 9.014 -0.055 17911 3092 1 6 . 1 1 59 59 ASP N N 245 117.059 117.059 117.851 -0.792 17911 3093 1 6 . 1 1 59 59 ASP HA H 245 4.325 4.325 4.369 -0.044 17911 3094 1 6 . 1 1 59 59 ASP CA C 245 57.301 57.301 57.191 0.110 17911 3095 1 6 . 1 1 59 59 ASP CB C 245 40.029 40.029 40.615 -0.586 17911 3096 1 6 . 1 1 59 59 ASP H H 245 7.838 7.838 8.755 -0.917 17911 3097 1 6 . 1 1 60 60 HIS N N 246 119.076 119.076 118.697 0.379 17911 3098 1 6 . 1 1 60 60 HIS HA H 246 4.296 4.296 4.403 -0.107 17911 3099 1 6 . 1 1 60 60 HIS CA C 246 58.645 58.645 59.397 -0.752 17911 3100 1 6 . 1 1 60 60 HIS CB C 246 32.864 32.864 30.036 2.828 17911 3101 1 6 . 1 1 60 60 HIS H H 246 7.333 7.333 7.625 -0.292 17911 3102 1 6 . 1 1 61 61 VAL N N 247 118.215 118.215 119.724 -1.509 17911 3103 1 6 . 1 1 61 61 VAL HA H 247 3.400 3.400 3.698 -0.298 17911 3104 1 6 . 1 1 61 61 VAL CA C 247 67.257 67.257 66.838 0.419 17911 3105 1 6 . 1 1 61 61 VAL CB C 247 31.010 31.010 31.691 -0.680 17911 3106 1 6 . 1 1 61 61 VAL H H 247 7.565 7.565 8.514 -0.949 17911 3107 1 6 . 1 1 62 62 ASP N N 248 119.651 119.651 119.950 -0.299 17911 3108 1 6 . 1 1 62 62 ASP HA H 248 4.358 4.358 4.334 0.024 17911 3109 1 6 . 1 1 62 62 ASP CA C 248 57.557 57.557 57.505 0.051 17911 3110 1 6 . 1 1 62 62 ASP CB C 248 40.027 40.027 40.927 -0.900 17911 3111 1 6 . 1 1 62 62 ASP H H 248 8.142 8.142 8.245 -0.103 17911 3112 1 6 . 1 1 63 63 ILE N N 249 123.545 123.545 119.768 3.777 17911 3113 1 6 . 1 1 63 63 ILE HA H 249 3.756 3.756 3.923 -0.167 17911 3114 1 6 . 1 1 63 63 ILE CA C 249 64.832 64.832 64.328 0.504 17911 3115 1 6 . 1 1 63 63 ILE CB C 249 37.817 37.817 38.031 -0.214 17911 3116 1 6 . 1 1 63 63 ILE H H 249 8.017 8.017 7.411 0.606 17911 3117 1 6 . 1 1 64 64 LEU N N 250 117.125 117.125 118.916 -1.791 17911 3118 1 6 . 1 1 64 64 LEU HA H 250 4.094 4.094 4.106 -0.012 17911 3119 1 6 . 1 1 64 64 LEU CA C 250 55.004 55.004 55.857 -0.853 17911 3120 1 6 . 1 1 64 64 LEU CB C 250 42.662 42.662 40.746 1.916 17911 3121 1 6 . 1 1 64 64 LEU H H 250 7.217 7.217 7.877 -0.660 17911 3122 1 6 . 1 1 65 65 GLY N N 251 108.388 108.388 108.907 -0.519 17911 3123 1 6 . 1 1 65 65 GLY CA C 251 48.708 48.708 48.590 0.118 17911 3124 1 6 . 1 1 65 65 GLY H H 251 7.794 7.794 8.163 -0.369 17911 3125 1 6 . 1 1 66 66 PRO HA H 252 4.243 4.243 4.099 0.144 17911 3126 1 6 . 1 1 66 66 PRO CA C 252 66.036 66.036 65.362 0.674 17911 3127 1 6 . 1 1 66 66 PRO CB C 252 32.172 32.172 31.175 0.997 17911 3128 1 6 . 1 1 67 67 LEU N N 253 117.852 117.852 116.364 1.488 17911 3129 1 6 . 1 1 67 67 LEU HA H 253 3.866 3.866 3.926 -0.060 17911 3130 1 6 . 1 1 67 67 LEU CA C 253 57.301 57.301 57.000 0.301 17911 3131 1 6 . 1 1 67 67 LEU CB C 253 40.539 40.539 41.549 -1.010 17911 3132 1 6 . 1 1 67 67 LEU H H 253 7.344 7.344 7.625 -0.281 17911 3133 1 6 . 1 1 68 68 SER N N 254 117.191 117.191 115.221 1.970 17911 3134 1 6 . 1 1 68 68 SER HA H 254 4.154 4.154 3.960 0.194 17911 3135 1 6 . 1 1 68 68 SER CA C 254 60.705 60.705 60.746 -0.041 17911 3136 1 6 . 1 1 68 68 SER CB C 254 63.286 63.286 63.111 0.175 17911 3137 1 6 . 1 1 68 68 SER H H 254 7.883 7.883 7.805 0.078 17911 3138 1 6 . 1 1 69 69 ALA N N 255 123.895 123.895 124.110 -0.215 17911 3139 1 6 . 1 1 69 69 ALA HA H 255 4.078 4.078 4.100 -0.022 17911 3140 1 6 . 1 1 69 69 ALA CA C 255 54.749 54.749 54.728 0.021 17911 3141 1 6 . 1 1 69 69 ALA CB C 255 17.992 17.992 18.271 -0.279 17911 3142 1 6 . 1 1 69 69 ALA H H 255 8.592 8.592 8.124 0.468 17911 3143 1 6 . 1 1 70 70 GLN N N 256 116.528 116.528 115.275 1.253 17911 3144 1 6 . 1 1 70 70 GLN HA H 256 4.011 4.011 4.258 -0.247 17911 3145 1 6 . 1 1 70 70 GLN CA C 256 58.634 58.634 57.152 1.482 17911 3146 1 6 . 1 1 70 70 GLN CB C 256 28.939 28.939 28.848 0.091 17911 3147 1 6 . 1 1 70 70 GLN H H 256 7.744 7.744 7.810 -0.066 17911 3148 1 6 . 1 1 71 71 THR N N 257 103.056 103.056 106.706 -3.650 17911 3149 1 6 . 1 1 71 71 THR HA H 257 4.277 4.277 4.520 -0.243 17911 3150 1 6 . 1 1 71 71 THR CA C 257 62.236 62.236 61.747 0.489 17911 3151 1 6 . 1 1 71 71 THR CB C 257 72.277 72.277 71.800 0.477 17911 3152 1 6 . 1 1 71 71 THR H H 257 7.401 7.401 7.651 -0.250 17911 3153 1 6 . 1 1 72 72 GLY N N 258 111.697 111.697 112.171 -0.474 17911 3154 1 6 . 1 1 72 72 GLY CA C 258 45.900 45.900 45.841 0.059 17911 3155 1 6 . 1 1 72 72 GLY H H 258 8.113 8.113 8.548 -0.435 17911 3156 1 6 . 1 1 73 73 ILE N N 259 120.078 120.078 123.610 -3.532 17911 3157 1 6 . 1 1 73 73 ILE HA H 259 4.451 4.451 4.298 0.153 17911 3158 1 6 . 1 1 73 73 ILE CA C 259 58.903 58.903 58.932 -0.029 17911 3159 1 6 . 1 1 73 73 ILE CB C 259 38.497 38.497 36.280 2.217 17911 3160 1 6 . 1 1 73 73 ILE H H 259 7.598 7.598 7.547 0.051 17911 3161 1 6 . 1 1 74 74 ALA N N 260 107.454 107.454 131.931 -24.477 17911 3162 1 6 . 1 1 74 74 ALA HA H 260 4.178 4.178 4.327 -0.149 17911 3163 1 6 . 1 1 74 74 ALA CA C 260 52.622 52.622 52.432 0.190 17911 3164 1 6 . 1 1 74 74 ALA CB C 260 18.417 18.417 19.448 -1.031 17911 3165 1 6 . 1 1 74 74 ALA H H 260 9.477 9.477 8.629 0.848 17911 3166 1 6 . 1 1 75 75 VAL N N 261 124.569 124.569 122.466 2.103 17911 3167 1 6 . 1 1 75 75 VAL HA H 261 4.095 4.095 3.822 0.273 17911 3168 1 6 . 1 1 75 75 VAL CA C 261 66.637 66.637 65.500 1.137 17911 3169 1 6 . 1 1 75 75 VAL CB C 261 31.575 31.575 31.772 -0.197 17911 3170 1 6 . 1 1 75 75 VAL H H 261 8.927 8.927 8.738 0.189 17911 3171 1 6 . 1 1 76 76 LEU N N 262 117.285 117.285 118.705 -1.420 17911 3172 1 6 . 1 1 76 76 LEU HA H 262 3.827 3.827 3.962 -0.135 17911 3173 1 6 . 1 1 76 76 LEU CA C 262 58.067 58.067 57.206 0.861 17911 3174 1 6 . 1 1 76 76 LEU CB C 262 39.774 39.774 40.864 -1.090 17911 3175 1 6 . 1 1 76 76 LEU H H 262 8.949 8.949 8.087 0.862 17911 3176 1 6 . 1 1 77 77 ASP N N 263 120.854 120.854 120.548 0.306 17911 3177 1 6 . 1 1 77 77 ASP HA H 263 4.639 4.639 4.579 0.060 17911 3178 1 6 . 1 1 77 77 ASP CA C 263 57.131 57.131 56.922 0.209 17911 3179 1 6 . 1 1 77 77 ASP CB C 263 39.178 39.178 40.624 -1.446 17911 3180 1 6 . 1 1 77 77 ASP H H 263 7.011 7.011 8.034 -1.023 17911 3181 1 6 . 1 1 78 78 MET N N 264 124.661 124.661 121.059 3.602 17911 3182 1 6 . 1 1 78 78 MET HA H 264 4.343 4.343 4.155 0.188 17911 3183 1 6 . 1 1 78 78 MET CA C 264 57.131 57.131 57.810 -0.679 17911 3184 1 6 . 1 1 78 78 MET CB C 264 31.172 31.172 31.921 -0.749 17911 3185 1 6 . 1 1 78 78 MET H H 264 8.025 8.025 7.865 0.160 17911 3186 1 6 . 1 1 79 79 CYS N N 265 117.740 117.740 118.499 -0.759 17911 3187 1 6 . 1 1 79 79 CYS HA H 265 3.534 3.534 3.682 -0.148 17911 3188 1 6 . 1 1 79 79 CYS CA C 265 64.317 64.317 63.539 0.778 17911 3189 1 6 . 1 1 79 79 CYS CB C 265 25.564 25.564 25.894 -0.330 17911 3190 1 6 . 1 1 79 79 CYS H H 265 8.703 8.703 8.596 0.107 17911 3191 1 6 . 1 1 80 80 ALA N N 266 123.346 123.346 122.295 1.051 17911 3192 1 6 . 1 1 80 80 ALA HA H 266 3.884 3.884 4.024 -0.140 17911 3193 1 6 . 1 1 80 80 ALA CA C 266 55.174 55.174 55.278 -0.104 17911 3194 1 6 . 1 1 80 80 ALA CB C 266 17.911 17.911 18.092 -0.181 17911 3195 1 6 . 1 1 80 80 ALA H H 266 7.745 7.745 7.932 -0.187 17911 3196 1 6 . 1 1 81 81 ALA N N 267 122.668 122.668 122.270 0.398 17911 3197 1 6 . 1 1 81 81 ALA HA H 267 4.236 4.236 4.088 0.148 17911 3198 1 6 . 1 1 81 81 ALA CA C 267 54.778 54.778 54.932 -0.154 17911 3199 1 6 . 1 1 81 81 ALA CB C 267 18.247 18.247 18.528 -0.281 17911 3200 1 6 . 1 1 81 81 ALA H H 267 7.513 7.513 8.071 -0.558 17911 3201 1 6 . 1 1 82 82 LEU N N 268 119.844 119.844 120.438 -0.594 17911 3202 1 6 . 1 1 82 82 LEU HA H 268 3.924 3.924 3.928 -0.004 17911 3203 1 6 . 1 1 82 82 LEU CA C 268 57.613 57.613 57.712 -0.099 17911 3204 1 6 . 1 1 82 82 LEU CB C 268 40.681 40.681 41.388 -0.707 17911 3205 1 6 . 1 1 82 82 LEU H H 268 8.304 8.304 8.511 -0.207 17911 3206 1 6 . 1 1 83 83 LYS N N 269 119.140 119.140 118.618 0.522 17911 3207 1 6 . 1 1 83 83 LYS HA H 269 3.629 3.629 3.946 -0.317 17911 3208 1 6 . 1 1 83 83 LYS CA C 269 60.279 60.279 59.571 0.709 17911 3209 1 6 . 1 1 83 83 LYS CB C 269 33.052 33.052 32.450 0.602 17911 3210 1 6 . 1 1 83 83 LYS H H 269 8.881 8.881 8.463 0.418 17911 3211 1 6 . 1 1 84 84 GLU N N 270 116.647 116.647 117.926 -1.279 17911 3212 1 6 . 1 1 84 84 GLU HA H 270 4.085 4.085 4.190 -0.105 17911 3213 1 6 . 1 1 84 84 GLU CA C 270 58.903 58.903 58.148 0.755 17911 3214 1 6 . 1 1 84 84 GLU CB C 270 29.223 29.223 29.924 -0.702 17911 3215 1 6 . 1 1 84 84 GLU H H 270 7.107 7.107 7.867 -0.760 17911 3216 1 6 . 1 1 85 85 LEU N N 271 120.657 120.657 120.847 -0.190 17911 3217 1 6 . 1 1 85 85 LEU HA H 271 3.992 3.992 4.030 -0.038 17911 3218 1 6 . 1 1 85 85 LEU CA C 271 57.872 57.872 58.160 -0.288 17911 3219 1 6 . 1 1 85 85 LEU CB C 271 42.326 42.326 41.674 0.652 17911 3220 1 6 . 1 1 85 85 LEU H H 271 7.757 7.757 8.596 -0.839 17911 3221 1 6 . 1 1 86 86 LEU N N 272 119.651 119.651 117.816 1.835 17911 3222 1 6 . 1 1 86 86 LEU HA H 272 3.535 3.535 3.921 -0.386 17911 3223 1 6 . 1 1 86 86 LEU CA C 272 57.356 57.356 56.912 0.444 17911 3224 1 6 . 1 1 86 86 LEU CB C 272 40.880 40.880 41.829 -0.949 17911 3225 1 6 . 1 1 86 86 LEU H H 272 8.336 8.336 8.297 0.039 17911 3226 1 6 . 1 1 87 87 GLN N N 273 113.087 113.087 114.317 -1.230 17911 3227 1 6 . 1 1 87 87 GLN HA H 273 4.099 4.099 4.262 -0.163 17911 3228 1 6 . 1 1 87 87 GLN CA C 273 58.387 58.387 56.499 1.888 17911 3229 1 6 . 1 1 87 87 GLN CB C 273 30.159 30.159 31.390 -1.230 17911 3230 1 6 . 1 1 87 87 GLN H H 273 7.422 7.422 7.751 -0.329 17911 3231 1 6 . 1 1 88 88 ASN N N 274 113.925 113.925 114.588 -0.663 17911 3232 1 6 . 1 1 88 88 ASN HA H 274 4.921 4.921 4.750 0.171 17911 3233 1 6 . 1 1 88 88 ASN CA C 274 53.747 53.747 53.885 -0.137 17911 3234 1 6 . 1 1 88 88 ASN CB C 274 40.625 40.625 39.753 0.872 17911 3235 1 6 . 1 1 88 88 ASN H H 274 8.388 8.388 8.420 -0.032 17911 3236 1 6 . 1 1 89 89 GLY N N 275 109.040 109.040 109.590 -0.550 17911 3237 1 6 . 1 1 89 89 GLY CA C 275 44.709 44.709 47.093 -2.384 17911 3238 1 6 . 1 1 89 89 GLY H H 275 7.698 7.698 8.480 -0.782 17911 3239 1 6 . 1 1 90 90 MET N N 276 115.183 115.183 118.848 -3.665 17911 3240 1 6 . 1 1 90 90 MET HA H 276 4.434 4.434 4.581 -0.147 17911 3241 1 6 . 1 1 90 90 MET CA C 276 56.791 56.791 54.014 2.777 17911 3242 1 6 . 1 1 90 90 MET CB C 276 33.637 33.637 33.262 0.375 17911 3243 1 6 . 1 1 90 90 MET H H 276 8.599 8.599 7.624 0.975 17911 3244 1 6 . 1 1 91 91 ASN N N 277 118.020 118.020 119.689 -1.669 17911 3245 1 6 . 1 1 91 91 ASN HA H 277 4.301 4.301 4.506 -0.205 17911 3246 1 6 . 1 1 91 91 ASN CA C 277 53.983 53.983 54.293 -0.310 17911 3247 1 6 . 1 1 91 91 ASN CB C 277 37.987 37.987 38.328 -0.341 17911 3248 1 6 . 1 1 91 91 ASN H H 277 9.033 9.033 7.583 1.450 17911 3249 1 6 . 1 1 92 92 GLY N N 278 104.906 104.906 113.186 -8.280 17911 3250 1 6 . 1 1 92 92 GLY CA C 278 45.645 45.645 45.341 0.304 17911 3251 1 6 . 1 1 92 92 GLY H H 278 8.538 8.538 8.514 0.024 17911 3252 1 6 . 1 1 93 93 ARG N N 279 120.056 120.056 119.411 0.645 17911 3253 1 6 . 1 1 93 93 ARG HA H 279 4.237 4.237 4.606 -0.369 17911 3254 1 6 . 1 1 93 93 ARG CA C 279 55.344 55.344 54.420 0.924 17911 3255 1 6 . 1 1 93 93 ARG CB C 279 31.491 31.491 33.183 -1.692 17911 3256 1 6 . 1 1 93 93 ARG H H 279 7.257 7.257 7.991 -0.734 17911 3257 1 6 . 1 1 94 94 THR N N 280 106.223 106.223 111.909 -5.686 17911 3258 1 6 . 1 1 94 94 THR HA H 280 5.028 5.028 5.359 -0.331 17911 3259 1 6 . 1 1 94 94 THR CA C 280 59.684 59.684 60.955 -1.271 17911 3260 1 6 . 1 1 94 94 THR CB C 280 72.787 72.787 71.680 1.107 17911 3261 1 6 . 1 1 94 94 THR H H 280 7.726 7.726 8.274 -0.548 17911 3262 1 6 . 1 1 95 95 ILE N N 281 121.214 121.214 120.822 0.392 17911 3263 1 6 . 1 1 95 95 ILE HA H 281 4.301 4.301 4.593 -0.292 17911 3264 1 6 . 1 1 95 95 ILE CA C 281 62.066 62.066 60.775 1.291 17911 3265 1 6 . 1 1 95 95 ILE CB C 281 40.539 40.539 41.774 -1.235 17911 3266 1 6 . 1 1 95 95 ILE H H 281 8.761 8.761 8.931 -0.170 17911 3267 1 6 . 1 1 96 96 LEU N N 282 128.347 128.347 125.590 2.757 17911 3268 1 6 . 1 1 96 96 LEU HA H 282 3.850 3.850 3.908 -0.058 17911 3269 1 6 . 1 1 96 96 LEU CA C 282 55.344 55.344 55.840 -0.496 17911 3270 1 6 . 1 1 96 96 LEU CB C 282 40.539 40.539 39.610 0.929 17911 3271 1 6 . 1 1 96 96 LEU H H 282 9.905 9.905 9.642 0.263 17911 3272 1 6 . 1 1 97 97 GLY N N 283 103.322 103.322 103.245 0.077 17911 3273 1 6 . 1 1 97 97 GLY CA C 283 45.645 45.645 44.791 0.854 17911 3274 1 6 . 1 1 97 97 GLY H H 283 8.937 8.937 8.565 0.372 17911 3275 1 6 . 1 1 98 98 SER N N 284 116.619 116.619 115.741 0.878 17911 3276 1 6 . 1 1 98 98 SER HA H 284 4.950 4.950 4.987 -0.037 17911 3277 1 6 . 1 1 98 98 SER CA C 284 56.961 56.961 55.881 1.080 17911 3278 1 6 . 1 1 98 98 SER CB C 284 65.044 65.044 64.690 0.354 17911 3279 1 6 . 1 1 98 98 SER H H 284 8.612 8.612 8.046 0.566 17911 3280 1 6 . 1 1 99 99 THR N N 285 114.513 114.513 117.497 -2.984 17911 3281 1 6 . 1 1 99 99 THR HA H 285 4.598 4.598 4.571 0.027 17911 3282 1 6 . 1 1 99 99 THR CA C 285 61.739 61.739 62.991 -1.252 17911 3283 1 6 . 1 1 99 99 THR CB C 285 69.214 69.214 68.815 0.399 17911 3284 1 6 . 1 1 99 99 THR H H 285 8.601 8.601 8.714 -0.113 17911 3285 1 6 . 1 1 100 100 ILE N N 286 117.511 117.511 116.437 1.074 17911 3286 1 6 . 1 1 100 100 ILE HA H 286 4.496 4.496 4.648 -0.152 17911 3287 1 6 . 1 1 100 100 ILE CA C 286 59.173 59.173 59.658 -0.485 17911 3288 1 6 . 1 1 100 100 ILE CB C 286 41.887 41.887 40.472 1.415 17911 3289 1 6 . 1 1 100 100 ILE H H 286 7.931 7.931 7.421 0.510 17911 3290 1 6 . 1 1 101 101 LEU N N 287 121.101 121.101 116.864 4.237 17911 3291 1 6 . 1 1 101 101 LEU HA H 287 4.157 4.157 4.261 -0.104 17911 3292 1 6 . 1 1 101 101 LEU CA C 287 54.520 54.520 53.081 1.440 17911 3293 1 6 . 1 1 101 101 LEU CB C 287 40.083 40.083 44.404 -4.321 17911 3294 1 6 . 1 1 101 101 LEU H H 287 8.025 8.025 8.115 -0.090 17911 3295 1 6 . 1 1 102 102 GLU HA H 288 3.720 3.720 4.289 -0.569 17911 3296 1 6 . 1 1 102 102 GLU CA C 288 55.770 55.770 54.701 1.069 17911 3297 1 6 . 1 1 102 102 GLU CB C 288 29.904 29.904 32.506 -2.602 17911 3298 1 6 . 1 1 103 103 ASP N N 289 121.287 121.287 117.198 4.089 17911 3299 1 6 . 1 1 103 103 ASP HA H 289 4.513 4.513 4.675 -0.162 17911 3300 1 6 . 1 1 103 103 ASP CA C 289 52.281 52.281 53.944 -1.663 17911 3301 1 6 . 1 1 103 103 ASP CB C 289 42.922 42.922 41.388 1.534 17911 3302 1 6 . 1 1 103 103 ASP H H 289 8.014 8.014 8.543 -0.529 17911 3303 1 6 . 1 1 104 104 GLU N N 290 118.245 118.245 119.777 -1.532 17911 3304 1 6 . 1 1 104 104 GLU HA H 290 3.904 3.904 4.178 -0.274 17911 3305 1 6 . 1 1 104 104 GLU CA C 290 57.614 57.614 57.211 0.403 17911 3306 1 6 . 1 1 104 104 GLU CB C 290 30.499 30.499 29.680 0.819 17911 3307 1 6 . 1 1 104 104 GLU H H 290 7.432 7.432 8.575 -1.143 17911 3308 1 6 . 1 1 105 105 PHE N N 291 120.606 120.606 119.394 1.212 17911 3309 1 6 . 1 1 105 105 PHE HA H 291 4.838 4.838 4.575 0.263 17911 3310 1 6 . 1 1 105 105 PHE CA C 291 56.536 56.536 57.742 -1.206 17911 3311 1 6 . 1 1 105 105 PHE CB C 291 39.774 39.774 39.752 0.022 17911 3312 1 6 . 1 1 105 105 PHE H H 291 8.835 8.835 7.879 0.956 17911 3313 1 6 . 1 1 106 106 THR N N 292 111.349 111.349 115.074 -3.725 17911 3314 1 6 . 1 1 106 106 THR HA H 292 4.670 4.670 4.468 0.202 17911 3315 1 6 . 1 1 106 106 THR CA C 292 59.344 59.344 60.492 -1.148 17911 3316 1 6 . 1 1 106 106 THR CB C 292 69.299 69.299 68.827 0.472 17911 3317 1 6 . 1 1 106 106 THR H H 292 8.757 8.757 8.315 0.442 17911 3318 1 6 . 1 1 107 107 PRO HA H 293 3.988 3.988 4.739 -0.751 17911 3319 1 6 . 1 1 107 107 PRO CA C 293 65.606 65.606 62.110 3.496 17911 3320 1 6 . 1 1 107 107 PRO CB C 293 31.321 31.321 32.758 -1.437 17911 3321 1 6 . 1 1 108 108 PHE N N 294 114.627 114.627 115.938 -1.311 17911 3322 1 6 . 1 1 108 108 PHE HA H 294 4.201 4.201 4.292 -0.091 17911 3323 1 6 . 1 1 108 108 PHE CA C 294 59.676 59.676 60.733 -1.057 17911 3324 1 6 . 1 1 108 108 PHE CB C 294 38.582 38.582 38.635 -0.053 17911 3325 1 6 . 1 1 108 108 PHE H H 294 7.310 7.310 8.901 -1.591 17911 3326 1 6 . 1 1 109 109 ASP N N 295 120.210 120.210 116.150 4.060 17911 3327 1 6 . 1 1 109 109 ASP HA H 295 4.404 4.404 4.796 -0.392 17911 3328 1 6 . 1 1 109 109 ASP CA C 295 57.098 57.098 53.939 3.159 17911 3329 1 6 . 1 1 109 109 ASP CB C 295 41.475 41.475 43.597 -2.122 17911 3330 1 6 . 1 1 109 109 ASP H H 295 7.837 7.837 8.137 -0.300 17911 3331 1 6 . 1 1 110 110 VAL N N 296 119.070 119.070 124.288 -5.218 17911 3332 1 6 . 1 1 110 110 VAL HA H 296 3.602 3.602 4.408 -0.806 17911 3333 1 6 . 1 1 110 110 VAL CA C 296 66.491 66.491 61.719 4.772 17911 3334 1 6 . 1 1 110 110 VAL CB C 296 31.605 31.605 32.930 -1.325 17911 3335 1 6 . 1 1 110 110 VAL H H 296 7.945 7.945 8.712 -0.767 17911 3336 1 6 . 1 1 111 111 VAL N N 297 119.540 119.540 116.910 2.630 17911 3337 1 6 . 1 1 111 111 VAL HA H 297 3.601 3.601 4.508 -0.907 17911 3338 1 6 . 1 1 111 111 VAL CA C 297 66.379 66.379 62.553 3.826 17911 3339 1 6 . 1 1 111 111 VAL CB C 297 31.605 31.605 34.644 -3.039 17911 3340 1 6 . 1 1 111 111 VAL H H 297 8.109 8.109 8.857 -0.748 17911 3341 1 6 . 1 1 112 112 ARG N N 298 119.680 119.680 117.986 1.694 17911 3342 1 6 . 1 1 112 112 ARG HA H 298 4.010 4.010 4.030 -0.020 17911 3343 1 6 . 1 1 112 112 ARG CA C 298 58.634 58.634 58.626 0.008 17911 3344 1 6 . 1 1 112 112 ARG CB C 298 30.028 30.028 27.669 2.359 17911 3345 1 6 . 1 1 112 112 ARG H H 298 7.710 7.710 8.971 -1.261 17911 3346 1 6 . 1 1 113 113 GLN N N 299 117.786 117.786 121.564 -3.778 17911 3347 1 6 . 1 1 113 113 GLN HA H 299 4.158 4.158 4.261 -0.103 17911 3348 1 6 . 1 1 113 113 GLN CA C 299 57.557 57.557 55.904 1.653 17911 3349 1 6 . 1 1 113 113 GLN CB C 299 29.308 29.308 27.450 1.858 17911 3350 1 6 . 1 1 113 113 GLN H H 299 8.033 8.033 7.988 0.045 17911 3351 1 6 . 1 1 114 114 CYS N N 300 115.786 115.786 119.347 -3.561 17911 3352 1 6 . 1 1 114 114 CYS HA H 300 4.470 4.470 4.591 -0.121 17911 3353 1 6 . 1 1 114 114 CYS CA C 300 59.934 59.934 56.753 3.181 17911 3354 1 6 . 1 1 114 114 CYS CB C 300 28.293 28.293 31.044 -2.751 17911 3355 1 6 . 1 1 114 114 CYS H H 300 8.071 8.071 7.903 0.168 17911 3356 1 6 . 1 1 115 115 SER N N 301 116.258 116.258 116.443 -0.185 17911 3357 1 6 . 1 1 115 115 SER HA H 301 4.407 4.407 4.264 0.143 17911 3358 1 6 . 1 1 115 115 SER CA C 301 59.485 59.485 60.361 -0.876 17911 3359 1 6 . 1 1 115 115 SER CB C 301 63.286 63.286 63.185 0.100 17911 3360 1 6 . 1 1 115 115 SER H H 301 7.883 7.883 8.885 -1.002 17911 3361 1 6 . 1 1 116 116 GLY N N 302 110.709 110.709 107.353 3.356 17911 3362 1 6 . 1 1 116 116 GLY CA C 302 45.239 45.239 45.082 0.157 17911 3363 1 6 . 1 1 116 116 GLY H H 302 8.355 8.355 7.795 0.560 17911 3364 1 6 . 1 1 117 117 VAL N N 303 119.189 119.189 116.917 2.272 17911 3365 1 6 . 1 1 117 117 VAL HA H 303 4.057 4.057 3.235 0.822 17911 3366 1 6 . 1 1 117 117 VAL CA C 303 62.236 62.236 64.134 -1.898 17911 3367 1 6 . 1 1 117 117 VAL CB C 303 32.626 32.626 30.383 2.243 17911 3368 1 6 . 1 1 117 117 VAL H H 303 7.710 7.710 7.989 -0.279 17911 3369 1 6 . 1 1 118 118 THR N N 304 118.009 118.009 116.196 1.813 17911 3370 1 6 . 1 1 118 118 THR HA H 304 4.279 4.279 4.177 0.102 17911 3371 1 6 . 1 1 118 118 THR CA C 304 61.556 61.556 64.709 -3.153 17911 3372 1 6 . 1 1 118 118 THR CB C 304 69.894 69.894 68.875 1.019 17911 3373 1 6 . 1 1 118 118 THR H H 304 8.109 8.109 8.092 0.017 17911 3374 1 6 . 1 1 119 119 PHE N N 305 123.287 123.287 118.414 4.873 17911 3375 1 6 . 1 1 119 119 PHE HA H 305 4.605 4.605 4.951 -0.346 17911 3376 1 6 . 1 1 119 119 PHE CA C 305 57.727 57.727 56.152 1.575 17911 3377 1 6 . 1 1 119 119 PHE CB C 305 39.859 39.859 38.144 1.715 17911 3378 1 6 . 1 1 119 119 PHE H H 305 8.298 8.298 7.558 0.740 17911 3379 1 7 . 1 1 2 2 ARG N N 188 121.886 121.886 121.563 0.323 17911 3380 1 7 . 1 1 2 2 ARG HA H 188 4.242 4.242 3.991 0.251 17911 3381 1 7 . 1 1 2 2 ARG CA C 188 56.487 56.487 56.768 -0.281 17911 3382 1 7 . 1 1 2 2 ARG CB C 188 30.857 30.857 29.823 1.034 17911 3383 1 7 . 1 1 2 2 ARG H H 188 8.475 8.475 8.585 -0.110 17911 3384 1 7 . 1 1 3 3 GLN N N 189 121.336 121.336 115.615 5.721 17911 3385 1 7 . 1 1 3 3 GLN HA H 189 4.302 4.302 4.046 0.256 17911 3386 1 7 . 1 1 3 3 GLN CA C 189 56.366 56.366 57.740 -1.374 17911 3387 1 7 . 1 1 3 3 GLN CB C 189 29.254 29.254 27.961 1.293 17911 3388 1 7 . 1 1 3 3 GLN H H 189 8.553 8.553 8.866 -0.313 17911 3389 1 7 . 1 1 4 4 THR N N 190 115.273 115.273 111.214 4.059 17911 3390 1 7 . 1 1 4 4 THR HA H 190 4.275 4.275 4.268 0.007 17911 3391 1 7 . 1 1 4 4 THR CA C 190 62.066 62.066 62.880 -0.814 17911 3392 1 7 . 1 1 4 4 THR CB C 190 69.894 69.894 69.143 0.751 17911 3393 1 7 . 1 1 4 4 THR H H 190 8.123 8.123 7.847 0.276 17911 3394 1 7 . 1 1 5 5 ALA N N 191 126.029 126.029 124.864 1.165 17911 3395 1 7 . 1 1 5 5 ALA HA H 191 4.247 4.247 4.206 0.041 17911 3396 1 7 . 1 1 5 5 ALA CA C 191 52.537 52.537 52.771 -0.234 17911 3397 1 7 . 1 1 5 5 ALA CB C 191 19.183 19.183 19.370 -0.187 17911 3398 1 7 . 1 1 5 5 ALA H H 191 8.284 8.284 7.730 0.554 17911 3399 1 7 . 1 1 6 6 GLN N N 192 119.614 119.614 119.462 0.152 17911 3400 1 7 . 1 1 6 6 GLN HA H 192 4.217 4.217 4.559 -0.342 17911 3401 1 7 . 1 1 6 6 GLN CA C 192 55.685 55.685 54.554 1.131 17911 3402 1 7 . 1 1 6 6 GLN CB C 192 29.513 29.513 31.347 -1.834 17911 3403 1 7 . 1 1 6 6 GLN H H 192 8.287 8.287 8.225 0.062 17911 3404 1 7 . 1 1 7 7 ALA N N 193 125.571 125.571 121.509 4.062 17911 3405 1 7 . 1 1 7 7 ALA HA H 193 4.246 4.246 4.767 -0.521 17911 3406 1 7 . 1 1 7 7 ALA CA C 193 52.537 52.537 51.607 0.930 17911 3407 1 7 . 1 1 7 7 ALA CB C 193 19.268 19.268 20.751 -1.483 17911 3408 1 7 . 1 1 7 7 ALA H H 193 8.271 8.271 8.317 -0.046 17911 3409 1 7 . 1 1 8 8 ALA N N 194 123.461 123.461 122.439 1.022 17911 3410 1 7 . 1 1 8 8 ALA HA H 194 4.250 4.250 4.118 0.132 17911 3411 1 7 . 1 1 8 8 ALA CA C 194 52.593 52.593 54.313 -1.720 17911 3412 1 7 . 1 1 8 8 ALA CB C 194 19.324 19.324 18.752 0.572 17911 3413 1 7 . 1 1 8 8 ALA H H 194 8.275 8.275 8.505 -0.230 17911 3414 1 7 . 1 1 9 9 GLY N N 195 108.312 108.312 103.058 5.254 17911 3415 1 7 . 1 1 9 9 GLY CA C 195 45.219 45.219 45.785 -0.566 17911 3416 1 7 . 1 1 9 9 GLY H H 195 8.328 8.328 8.090 0.238 17911 3417 1 7 . 1 1 10 10 THR N N 196 112.710 112.710 111.425 1.285 17911 3418 1 7 . 1 1 10 10 THR HA H 196 4.334 4.334 4.463 -0.129 17911 3419 1 7 . 1 1 10 10 THR CA C 196 61.471 61.471 62.038 -0.567 17911 3420 1 7 . 1 1 10 10 THR CB C 196 69.894 69.894 71.011 -1.117 17911 3421 1 7 . 1 1 10 10 THR H H 196 7.998 7.998 7.591 0.407 17911 3422 1 7 . 1 1 11 11 ASP N N 197 122.862 122.862 123.414 -0.552 17911 3423 1 7 . 1 1 11 11 ASP HA H 197 4.609 4.609 4.564 0.045 17911 3424 1 7 . 1 1 11 11 ASP CA C 197 54.262 54.262 53.959 0.303 17911 3425 1 7 . 1 1 11 11 ASP CB C 197 41.135 41.135 42.184 -1.050 17911 3426 1 7 . 1 1 11 11 ASP H H 197 8.404 8.404 8.342 0.062 17911 3427 1 7 . 1 1 12 12 THR N N 198 114.709 114.709 111.277 3.432 17911 3428 1 7 . 1 1 12 12 THR HA H 198 4.400 4.400 4.797 -0.397 17911 3429 1 7 . 1 1 12 12 THR CA C 198 61.223 61.223 60.575 0.648 17911 3430 1 7 . 1 1 12 12 THR CB C 198 70.490 70.490 72.015 -1.525 17911 3431 1 7 . 1 1 12 12 THR H H 198 7.895 7.895 8.003 -0.108 17911 3432 1 7 . 1 1 13 13 THR N N 199 122.785 122.785 120.038 2.747 17911 3433 1 7 . 1 1 13 13 THR HA H 199 3.961 3.961 4.224 -0.264 17911 3434 1 7 . 1 1 13 13 THR CA C 199 63.286 63.286 63.419 -0.133 17911 3435 1 7 . 1 1 13 13 THR CB C 199 68.958 68.958 68.901 0.057 17911 3436 1 7 . 1 1 13 13 THR H H 199 8.354 8.354 8.627 -0.273 17911 3437 1 7 . 1 1 14 14 ILE N N 200 127.902 127.902 129.826 -1.924 17911 3438 1 7 . 1 1 14 14 ILE HA H 200 3.807 3.807 4.128 -0.321 17911 3439 1 7 . 1 1 14 14 ILE CA C 200 60.965 60.965 61.589 -0.624 17911 3440 1 7 . 1 1 14 14 ILE CB C 200 35.860 35.860 35.736 0.124 17911 3441 1 7 . 1 1 14 14 ILE H H 200 9.362 9.362 9.170 0.192 17911 3442 1 7 . 1 1 15 15 THR N N 201 130.379 130.379 122.476 7.903 17911 3443 1 7 . 1 1 15 15 THR HA H 201 3.521 3.521 4.033 -0.512 17911 3444 1 7 . 1 1 15 15 THR CA C 201 66.637 66.637 66.934 -0.297 17911 3445 1 7 . 1 1 15 15 THR CB C 201 67.411 67.411 68.600 -1.189 17911 3446 1 7 . 1 1 15 15 THR H H 201 7.834 7.834 8.113 -0.279 17911 3447 1 7 . 1 1 16 16 LEU N N 202 120.049 120.049 121.645 -1.596 17911 3448 1 7 . 1 1 16 16 LEU HA H 202 3.715 3.715 4.082 -0.367 17911 3449 1 7 . 1 1 16 16 LEU CA C 202 58.387 58.387 58.736 -0.349 17911 3450 1 7 . 1 1 16 16 LEU CB C 202 43.148 43.148 41.696 1.452 17911 3451 1 7 . 1 1 16 16 LEU H H 202 8.913 8.913 8.624 0.289 17911 3452 1 7 . 1 1 17 17 ASN N N 203 117.390 117.390 117.313 0.077 17911 3453 1 7 . 1 1 17 17 ASN HA H 203 4.594 4.594 4.674 -0.080 17911 3454 1 7 . 1 1 17 17 ASN CA C 203 54.520 54.520 55.817 -1.297 17911 3455 1 7 . 1 1 17 17 ASN CB C 203 37.246 37.246 37.969 -0.723 17911 3456 1 7 . 1 1 17 17 ASN H H 203 6.926 6.926 7.930 -1.004 17911 3457 1 7 . 1 1 18 18 VAL N N 204 123.434 123.434 122.122 1.312 17911 3458 1 7 . 1 1 18 18 VAL HA H 204 4.242 4.242 4.057 0.185 17911 3459 1 7 . 1 1 18 18 VAL CA C 204 66.236 66.236 66.263 -0.027 17911 3460 1 7 . 1 1 18 18 VAL CB C 204 31.605 31.605 31.362 0.243 17911 3461 1 7 . 1 1 18 18 VAL H H 204 7.660 7.660 7.672 -0.012 17911 3462 1 7 . 1 1 19 19 LEU N N 205 117.301 117.301 120.777 -3.476 17911 3463 1 7 . 1 1 19 19 LEU HA H 205 3.945 3.945 3.866 0.079 17911 3464 1 7 . 1 1 19 19 LEU CA C 205 58.408 58.408 58.468 -0.060 17911 3465 1 7 . 1 1 19 19 LEU CB C 205 42.918 42.918 41.038 1.880 17911 3466 1 7 . 1 1 19 19 LEU H H 205 8.573 8.573 8.663 -0.090 17911 3467 1 7 . 1 1 20 20 ALA N N 206 120.290 120.290 122.045 -1.755 17911 3468 1 7 . 1 1 20 20 ALA HA H 206 4.012 4.012 4.161 -0.149 17911 3469 1 7 . 1 1 20 20 ALA CA C 206 56.195 56.195 55.434 0.760 17911 3470 1 7 . 1 1 20 20 ALA CB C 206 17.911 17.911 18.321 -0.410 17911 3471 1 7 . 1 1 20 20 ALA H H 206 8.188 8.188 8.530 -0.342 17911 3472 1 7 . 1 1 21 21 TRP N N 207 121.219 121.219 120.730 0.489 17911 3473 1 7 . 1 1 21 21 TRP HA H 207 4.110 4.110 4.194 -0.084 17911 3474 1 7 . 1 1 21 21 TRP CA C 207 61.224 61.224 62.348 -1.124 17911 3475 1 7 . 1 1 21 21 TRP CB C 207 28.712 28.712 29.457 -0.745 17911 3476 1 7 . 1 1 21 21 TRP H H 207 8.406 8.406 8.518 -0.112 17911 3477 1 7 . 1 1 22 22 LEU HA H 208 3.517 3.517 3.711 -0.194 17911 3478 1 7 . 1 1 22 22 LEU CA C 208 57.897 57.897 58.260 -0.363 17911 3479 1 7 . 1 1 22 22 LEU CB C 208 40.880 40.880 41.020 -0.140 17911 3480 1 7 . 1 1 22 22 LEU H H 208 8.620 8.620 8.804 -0.184 17911 3481 1 7 . 1 1 23 23 TYR N N 209 117.656 117.656 118.739 -1.083 17911 3482 1 7 . 1 1 23 23 TYR HA H 209 3.956 3.956 4.061 -0.105 17911 3483 1 7 . 1 1 23 23 TYR CA C 209 64.704 64.704 61.981 2.723 17911 3484 1 7 . 1 1 23 23 TYR CB C 209 38.793 38.793 37.461 1.332 17911 3485 1 7 . 1 1 23 23 TYR H H 209 8.368 8.368 8.565 -0.197 17911 3486 1 7 . 1 1 24 24 ALA N N 210 122.658 122.658 121.387 1.271 17911 3487 1 7 . 1 1 24 24 ALA HA H 210 3.837 3.837 3.813 0.024 17911 3488 1 7 . 1 1 24 24 ALA CA C 210 55.036 55.036 54.868 0.168 17911 3489 1 7 . 1 1 24 24 ALA CB C 210 17.311 17.311 17.624 -0.313 17911 3490 1 7 . 1 1 24 24 ALA H H 210 8.461 8.461 8.415 0.046 17911 3491 1 7 . 1 1 25 25 ALA N N 211 123.868 123.868 121.631 2.237 17911 3492 1 7 . 1 1 25 25 ALA HA H 211 3.761 3.761 3.725 0.036 17911 3493 1 7 . 1 1 25 25 ALA CA C 211 55.551 55.551 54.777 0.774 17911 3494 1 7 . 1 1 25 25 ALA CB C 211 17.992 17.992 18.203 -0.211 17911 3495 1 7 . 1 1 25 25 ALA H H 211 8.564 8.564 7.822 0.742 17911 3496 1 7 . 1 1 26 26 VAL N N 212 119.783 119.783 119.307 0.476 17911 3497 1 7 . 1 1 26 26 VAL HA H 212 3.487 3.487 3.576 -0.089 17911 3498 1 7 . 1 1 26 26 VAL CA C 212 66.576 66.576 66.775 -0.199 17911 3499 1 7 . 1 1 26 26 VAL CB C 212 31.575 31.575 31.585 -0.010 17911 3500 1 7 . 1 1 26 26 VAL H H 212 8.008 8.008 8.107 -0.099 17911 3501 1 7 . 1 1 27 27 ILE N N 213 124.428 124.428 117.415 7.013 17911 3502 1 7 . 1 1 27 27 ILE HA H 213 3.559 3.559 3.672 -0.113 17911 3503 1 7 . 1 1 27 27 ILE CA C 213 65.526 65.526 64.274 1.252 17911 3504 1 7 . 1 1 27 27 ILE CB C 213 37.902 37.902 37.795 0.107 17911 3505 1 7 . 1 1 27 27 ILE H H 213 8.576 8.576 8.190 0.386 17911 3506 1 7 . 1 1 28 28 ASN N N 214 116.563 116.563 116.072 0.491 17911 3507 1 7 . 1 1 28 28 ASN HA H 214 4.565 4.565 4.605 -0.040 17911 3508 1 7 . 1 1 28 28 ASN CA C 214 54.579 54.579 54.787 -0.208 17911 3509 1 7 . 1 1 28 28 ASN CB C 214 40.340 40.340 40.504 -0.164 17911 3510 1 7 . 1 1 28 28 ASN H H 214 7.714 7.714 7.962 -0.248 17911 3511 1 7 . 1 1 29 29 GLY N N 215 107.004 107.004 106.426 0.578 17911 3512 1 7 . 1 1 29 29 GLY CA C 215 45.683 45.683 45.062 0.621 17911 3513 1 7 . 1 1 29 29 GLY H H 215 7.861 7.861 8.380 -0.519 17911 3514 1 7 . 1 1 30 30 ASP N N 216 125.780 125.780 124.395 1.385 17911 3515 1 7 . 1 1 30 30 ASP HA H 216 5.019 5.019 4.615 0.404 17911 3516 1 7 . 1 1 30 30 ASP CA C 216 53.643 53.643 54.854 -1.211 17911 3517 1 7 . 1 1 30 30 ASP CB C 216 41.561 41.561 39.933 1.628 17911 3518 1 7 . 1 1 30 30 ASP H H 216 8.560 8.560 7.810 0.750 17911 3519 1 7 . 1 1 31 31 ARG N N 217 115.297 115.297 120.282 -4.985 17911 3520 1 7 . 1 1 31 31 ARG HA H 217 3.711 3.711 3.278 0.433 17911 3521 1 7 . 1 1 31 31 ARG CA C 217 54.520 54.520 54.995 -0.475 17911 3522 1 7 . 1 1 31 31 ARG CB C 217 32.116 32.116 30.853 1.263 17911 3523 1 7 . 1 1 31 31 ARG H H 217 7.984 7.984 7.323 0.661 17911 3524 1 7 . 1 1 32 32 TRP N N 218 119.754 119.754 119.818 -0.064 17911 3525 1 7 . 1 1 32 32 TRP HA H 218 4.120 4.120 4.281 -0.161 17911 3526 1 7 . 1 1 32 32 TRP CA C 218 58.387 58.387 57.595 0.792 17911 3527 1 7 . 1 1 32 32 TRP CB C 218 28.372 28.372 28.096 0.276 17911 3528 1 7 . 1 1 32 32 TRP H H 218 7.368 7.368 7.291 0.077 17911 3529 1 7 . 1 1 33 33 PHE HA H 219 3.919 3.919 4.574 -0.655 17911 3530 1 7 . 1 1 33 33 PHE CA C 219 55.315 55.315 56.338 -1.023 17911 3531 1 7 . 1 1 33 33 PHE CB C 219 37.277 37.277 37.416 -0.139 17911 3532 1 7 . 1 1 34 34 LEU N N 220 122.632 122.632 121.909 0.723 17911 3533 1 7 . 1 1 34 34 LEU HA H 220 3.931 3.931 4.026 -0.095 17911 3534 1 7 . 1 1 34 34 LEU CA C 220 55.315 55.315 55.402 -0.087 17911 3535 1 7 . 1 1 34 34 LEU CB C 220 40.790 40.790 41.439 -0.649 17911 3536 1 7 . 1 1 34 34 LEU H H 220 6.447 6.447 7.203 -0.756 17911 3537 1 7 . 1 1 35 35 ASN N N 221 119.503 119.503 121.691 -2.188 17911 3538 1 7 . 1 1 35 35 ASN HA H 221 4.709 4.709 4.921 -0.212 17911 3539 1 7 . 1 1 35 35 ASN CA C 221 52.026 52.026 52.465 -0.439 17911 3540 1 7 . 1 1 35 35 ASN CB C 221 40.598 40.598 40.194 0.404 17911 3541 1 7 . 1 1 35 35 ASN H H 221 8.105 8.105 8.016 0.089 17911 3542 1 7 . 1 1 36 36 ARG N N 222 116.408 116.408 117.854 -1.446 17911 3543 1 7 . 1 1 36 36 ARG HA H 222 4.293 4.293 4.196 0.097 17911 3544 1 7 . 1 1 36 36 ARG CA C 222 55.600 55.600 56.599 -0.999 17911 3545 1 7 . 1 1 36 36 ARG CB C 222 28.997 28.997 29.844 -0.847 17911 3546 1 7 . 1 1 36 36 ARG H H 222 8.099 8.099 8.221 -0.122 17911 3547 1 7 . 1 1 37 37 PHE N N 223 120.398 120.398 119.309 1.089 17911 3548 1 7 . 1 1 37 37 PHE HA H 223 4.813 4.813 4.843 -0.030 17911 3549 1 7 . 1 1 37 37 PHE CA C 223 56.081 56.081 56.385 -0.304 17911 3550 1 7 . 1 1 37 37 PHE CB C 223 40.085 40.085 41.794 -1.710 17911 3551 1 7 . 1 1 37 37 PHE H H 223 7.842 7.842 7.992 -0.150 17911 3552 1 7 . 1 1 38 38 THR N N 224 112.040 112.040 109.750 2.290 17911 3553 1 7 . 1 1 38 38 THR HA H 224 4.653 4.653 5.009 -0.356 17911 3554 1 7 . 1 1 38 38 THR CA C 224 60.708 60.708 60.329 0.379 17911 3555 1 7 . 1 1 38 38 THR CB C 224 71.000 71.000 71.972 -0.972 17911 3556 1 7 . 1 1 38 38 THR H H 224 8.231 8.231 8.402 -0.171 17911 3557 1 7 . 1 1 39 39 THR N N 225 116.627 116.627 114.498 2.129 17911 3558 1 7 . 1 1 39 39 THR HA H 225 4.925 4.925 4.685 0.240 17911 3559 1 7 . 1 1 39 39 THR CA C 225 59.677 59.677 59.796 -0.119 17911 3560 1 7 . 1 1 39 39 THR CB C 225 69.989 69.989 70.610 -0.621 17911 3561 1 7 . 1 1 39 39 THR H H 225 8.107 8.107 8.116 -0.009 17911 3562 1 7 . 1 1 40 40 THR N N 226 111.263 111.263 116.122 -4.859 17911 3563 1 7 . 1 1 40 40 THR HA H 226 4.727 4.727 4.478 0.249 17911 3564 1 7 . 1 1 40 40 THR CA C 226 59.740 59.740 61.857 -2.117 17911 3565 1 7 . 1 1 40 40 THR CB C 226 72.052 72.052 70.172 1.880 17911 3566 1 7 . 1 1 40 40 THR H H 226 8.481 8.481 8.260 0.221 17911 3567 1 7 . 1 1 41 41 LEU N N 227 123.989 123.989 125.159 -1.170 17911 3568 1 7 . 1 1 41 41 LEU HA H 227 3.986 3.986 4.163 -0.177 17911 3569 1 7 . 1 1 41 41 LEU CA C 227 58.903 58.903 58.416 0.487 17911 3570 1 7 . 1 1 41 41 LEU CB C 227 41.561 41.561 42.179 -0.619 17911 3571 1 7 . 1 1 41 41 LEU H H 227 9.259 9.259 8.791 0.468 17911 3572 1 7 . 1 1 42 42 ASN N N 228 115.183 115.183 117.087 -1.904 17911 3573 1 7 . 1 1 42 42 ASN HA H 228 4.435 4.435 4.409 0.026 17911 3574 1 7 . 1 1 42 42 ASN CA C 228 56.961 56.961 57.349 -0.388 17911 3575 1 7 . 1 1 42 42 ASN CB C 228 38.497 38.497 38.140 0.357 17911 3576 1 7 . 1 1 42 42 ASN H H 228 8.598 8.598 8.490 0.108 17911 3577 1 7 . 1 1 43 43 ASP N N 229 118.746 118.746 120.248 -1.502 17911 3578 1 7 . 1 1 43 43 ASP HA H 229 4.367 4.367 4.440 -0.073 17911 3579 1 7 . 1 1 43 43 ASP CA C 229 57.387 57.387 57.149 0.238 17911 3580 1 7 . 1 1 43 43 ASP CB C 229 40.625 40.625 40.907 -0.282 17911 3581 1 7 . 1 1 43 43 ASP H H 229 7.847 7.847 7.921 -0.074 17911 3582 1 7 . 1 1 44 44 PHE N N 230 120.193 120.193 121.110 -0.917 17911 3583 1 7 . 1 1 44 44 PHE HA H 230 3.808 3.808 4.084 -0.276 17911 3584 1 7 . 1 1 44 44 PHE CA C 230 62.747 62.747 61.853 0.894 17911 3585 1 7 . 1 1 44 44 PHE CB C 230 38.753 38.753 39.192 -0.439 17911 3586 1 7 . 1 1 44 44 PHE H H 230 8.547 8.547 8.421 0.126 17911 3587 1 7 . 1 1 45 45 ASN N N 231 118.852 118.852 118.419 0.433 17911 3588 1 7 . 1 1 45 45 ASN HA H 231 4.472 4.472 4.258 0.214 17911 3589 1 7 . 1 1 45 45 ASN CA C 231 55.344 55.344 56.194 -0.850 17911 3590 1 7 . 1 1 45 45 ASN CB C 231 37.391 37.391 38.077 -0.686 17911 3591 1 7 . 1 1 45 45 ASN H H 231 8.727 8.727 8.525 0.202 17911 3592 1 7 . 1 1 46 46 LEU N N 232 120.221 120.221 121.185 -0.964 17911 3593 1 7 . 1 1 46 46 LEU HA H 232 4.065 4.065 3.992 0.073 17911 3594 1 7 . 1 1 46 46 LEU CA C 232 58.152 58.152 57.996 0.156 17911 3595 1 7 . 1 1 46 46 LEU CB C 232 42.071 42.071 41.766 0.305 17911 3596 1 7 . 1 1 46 46 LEU H H 232 7.516 7.516 8.473 -0.957 17911 3597 1 7 . 1 1 47 47 VAL N N 233 119.649 119.649 118.634 1.015 17911 3598 1 7 . 1 1 47 47 VAL HA H 233 3.604 3.604 3.548 0.056 17911 3599 1 7 . 1 1 47 47 VAL CA C 233 65.864 65.864 65.717 0.147 17911 3600 1 7 . 1 1 47 47 VAL CB C 233 31.575 31.575 30.890 0.685 17911 3601 1 7 . 1 1 47 47 VAL H H 233 6.987 6.987 7.971 -0.984 17911 3602 1 7 . 1 1 48 48 ALA N N 234 122.056 122.056 122.129 -0.073 17911 3603 1 7 . 1 1 48 48 ALA HA H 234 3.451 3.451 3.835 -0.384 17911 3604 1 7 . 1 1 48 48 ALA CA C 234 55.741 55.741 55.064 0.677 17911 3605 1 7 . 1 1 48 48 ALA CB C 234 16.971 16.971 18.158 -1.187 17911 3606 1 7 . 1 1 48 48 ALA H H 234 8.480 8.480 8.146 0.334 17911 3607 1 7 . 1 1 49 49 MET N N 235 114.180 114.180 118.201 -4.021 17911 3608 1 7 . 1 1 49 49 MET HA H 235 4.272 4.272 4.031 0.241 17911 3609 1 7 . 1 1 49 49 MET CA C 235 59.003 59.003 59.164 -0.161 17911 3610 1 7 . 1 1 49 49 MET CB C 235 32.967 32.967 32.535 0.432 17911 3611 1 7 . 1 1 49 49 MET H H 235 7.950 7.950 8.404 -0.454 17911 3612 1 7 . 1 1 50 50 LYS N N 236 120.217 120.217 119.615 0.602 17911 3613 1 7 . 1 1 50 50 LYS HA H 236 3.945 3.945 3.824 0.121 17911 3614 1 7 . 1 1 50 50 LYS CA C 236 58.378 58.378 58.503 -0.125 17911 3615 1 7 . 1 1 50 50 LYS CB C 236 31.833 31.833 32.279 -0.445 17911 3616 1 7 . 1 1 50 50 LYS H H 236 7.378 7.378 7.745 -0.367 17911 3617 1 7 . 1 1 51 51 TYR N N 237 115.853 115.853 115.087 0.766 17911 3618 1 7 . 1 1 51 51 TYR HA H 237 4.462 4.462 4.667 -0.205 17911 3619 1 7 . 1 1 51 51 TYR CA C 237 58.293 58.293 56.834 1.460 17911 3620 1 7 . 1 1 51 51 TYR CB C 237 38.668 38.668 37.932 0.736 17911 3621 1 7 . 1 1 51 51 TYR H H 237 7.392 7.392 7.367 0.025 17911 3622 1 7 . 1 1 52 52 ASN N N 238 115.965 115.965 115.039 0.926 17911 3623 1 7 . 1 1 52 52 ASN HA H 238 4.403 4.403 4.390 0.013 17911 3624 1 7 . 1 1 52 52 ASN CA C 238 54.834 54.834 54.797 0.037 17911 3625 1 7 . 1 1 52 52 ASN CB C 238 36.881 36.881 37.129 -0.248 17911 3626 1 7 . 1 1 52 52 ASN H H 238 7.914 7.914 7.831 0.083 17911 3627 1 7 . 1 1 53 53 TYR N N 239 120.379 120.379 118.184 2.195 17911 3628 1 7 . 1 1 53 53 TYR HA H 239 4.675 4.675 4.887 -0.212 17911 3629 1 7 . 1 1 53 53 TYR CA C 239 57.387 57.387 56.727 0.660 17911 3630 1 7 . 1 1 53 53 TYR CB C 239 37.788 37.788 40.365 -2.578 17911 3631 1 7 . 1 1 53 53 TYR H H 239 8.341 8.341 8.280 0.061 17911 3632 1 7 . 1 1 54 54 GLU N N 240 122.559 122.559 123.164 -0.605 17911 3633 1 7 . 1 1 54 54 GLU HA H 240 4.317 4.317 4.349 -0.032 17911 3634 1 7 . 1 1 54 54 GLU CA C 240 54.579 54.579 55.479 -0.900 17911 3635 1 7 . 1 1 54 54 GLU CB C 240 30.802 30.802 29.826 0.976 17911 3636 1 7 . 1 1 54 54 GLU H H 240 8.114 8.114 8.761 -0.647 17911 3637 1 7 . 1 1 55 55 PRO HA H 241 4.314 4.314 4.472 -0.158 17911 3638 1 7 . 1 1 55 55 PRO CA C 241 62.973 62.973 62.735 0.238 17911 3639 1 7 . 1 1 55 55 PRO CB C 241 31.917 31.917 32.499 -0.582 17911 3640 1 7 . 1 1 56 56 LEU N N 242 124.468 124.468 120.855 3.613 17911 3641 1 7 . 1 1 56 56 LEU HA H 242 5.200 5.200 4.719 0.481 17911 3642 1 7 . 1 1 56 56 LEU CA C 242 53.747 53.747 54.035 -0.288 17911 3643 1 7 . 1 1 56 56 LEU CB C 242 45.560 45.560 46.349 -0.789 17911 3644 1 7 . 1 1 56 56 LEU H H 242 9.650 9.650 9.282 0.368 17911 3645 1 7 . 1 1 57 57 THR N N 243 116.700 116.700 113.577 3.123 17911 3646 1 7 . 1 1 57 57 THR HA H 243 4.664 4.664 4.851 -0.187 17911 3647 1 7 . 1 1 57 57 THR CA C 243 59.429 59.429 59.784 -0.355 17911 3648 1 7 . 1 1 57 57 THR CB C 243 71.851 71.851 71.812 0.039 17911 3649 1 7 . 1 1 57 57 THR H H 243 9.279 9.279 8.512 0.767 17911 3650 1 7 . 1 1 58 58 GLN N N 244 119.764 119.764 121.355 -1.591 17911 3651 1 7 . 1 1 58 58 GLN HA H 244 3.827 3.827 4.054 -0.227 17911 3652 1 7 . 1 1 58 58 GLN CA C 244 58.130 58.130 59.262 -1.132 17911 3653 1 7 . 1 1 58 58 GLN CB C 244 27.777 27.777 28.239 -0.462 17911 3654 1 7 . 1 1 58 58 GLN H H 244 8.959 8.959 8.916 0.043 17911 3655 1 7 . 1 1 59 59 ASP N N 245 117.059 117.059 116.775 0.284 17911 3656 1 7 . 1 1 59 59 ASP HA H 245 4.325 4.325 4.384 -0.059 17911 3657 1 7 . 1 1 59 59 ASP CA C 245 57.301 57.301 57.153 0.148 17911 3658 1 7 . 1 1 59 59 ASP CB C 245 40.029 40.029 40.436 -0.407 17911 3659 1 7 . 1 1 59 59 ASP H H 245 7.838 7.838 8.786 -0.948 17911 3660 1 7 . 1 1 60 60 HIS N N 246 119.076 119.076 119.030 0.046 17911 3661 1 7 . 1 1 60 60 HIS HA H 246 4.296 4.296 4.381 -0.085 17911 3662 1 7 . 1 1 60 60 HIS CA C 246 58.645 58.645 59.185 -0.540 17911 3663 1 7 . 1 1 60 60 HIS CB C 246 32.864 32.864 29.988 2.876 17911 3664 1 7 . 1 1 60 60 HIS H H 246 7.333 7.333 7.508 -0.175 17911 3665 1 7 . 1 1 61 61 VAL N N 247 118.215 118.215 119.696 -1.481 17911 3666 1 7 . 1 1 61 61 VAL HA H 247 3.400 3.400 3.677 -0.277 17911 3667 1 7 . 1 1 61 61 VAL CA C 247 67.257 67.257 66.876 0.381 17911 3668 1 7 . 1 1 61 61 VAL CB C 247 31.010 31.010 31.670 -0.660 17911 3669 1 7 . 1 1 61 61 VAL H H 247 7.565 7.565 8.478 -0.913 17911 3670 1 7 . 1 1 62 62 ASP N N 248 119.651 119.651 120.480 -0.829 17911 3671 1 7 . 1 1 62 62 ASP HA H 248 4.358 4.358 4.377 -0.019 17911 3672 1 7 . 1 1 62 62 ASP CA C 248 57.557 57.557 57.455 0.102 17911 3673 1 7 . 1 1 62 62 ASP CB C 248 40.027 40.027 40.971 -0.944 17911 3674 1 7 . 1 1 62 62 ASP H H 248 8.142 8.142 8.151 -0.009 17911 3675 1 7 . 1 1 63 63 ILE N N 249 123.545 123.545 120.014 3.531 17911 3676 1 7 . 1 1 63 63 ILE HA H 249 3.756 3.756 3.803 -0.047 17911 3677 1 7 . 1 1 63 63 ILE CA C 249 64.832 64.832 65.199 -0.367 17911 3678 1 7 . 1 1 63 63 ILE CB C 249 37.817 37.817 38.140 -0.323 17911 3679 1 7 . 1 1 63 63 ILE H H 249 8.017 8.017 7.993 0.024 17911 3680 1 7 . 1 1 64 64 LEU N N 250 117.125 117.125 119.025 -1.900 17911 3681 1 7 . 1 1 64 64 LEU HA H 250 4.094 4.094 4.045 0.049 17911 3682 1 7 . 1 1 64 64 LEU CA C 250 55.004 55.004 55.704 -0.700 17911 3683 1 7 . 1 1 64 64 LEU CB C 250 42.662 42.662 40.659 2.003 17911 3684 1 7 . 1 1 64 64 LEU H H 250 7.217 7.217 7.643 -0.426 17911 3685 1 7 . 1 1 65 65 GLY N N 251 108.388 108.388 108.873 -0.485 17911 3686 1 7 . 1 1 65 65 GLY CA C 251 48.708 48.708 47.511 1.197 17911 3687 1 7 . 1 1 65 65 GLY H H 251 7.794 7.794 8.079 -0.285 17911 3688 1 7 . 1 1 66 66 PRO HA H 252 4.243 4.243 4.201 0.042 17911 3689 1 7 . 1 1 66 66 PRO CA C 252 66.036 66.036 63.946 2.090 17911 3690 1 7 . 1 1 66 66 PRO CB C 252 32.172 32.172 30.700 1.472 17911 3691 1 7 . 1 1 67 67 LEU N N 253 117.852 117.852 115.571 2.281 17911 3692 1 7 . 1 1 67 67 LEU HA H 253 3.866 3.866 4.294 -0.428 17911 3693 1 7 . 1 1 67 67 LEU CA C 253 57.301 57.301 55.325 1.976 17911 3694 1 7 . 1 1 67 67 LEU CB C 253 40.539 40.539 43.394 -2.855 17911 3695 1 7 . 1 1 67 67 LEU H H 253 7.344 7.344 7.403 -0.059 17911 3696 1 7 . 1 1 68 68 SER N N 254 117.191 117.191 116.647 0.544 17911 3697 1 7 . 1 1 68 68 SER HA H 254 4.154 4.154 4.172 -0.018 17911 3698 1 7 . 1 1 68 68 SER CA C 254 60.705 60.705 61.107 -0.402 17911 3699 1 7 . 1 1 68 68 SER CB C 254 63.286 63.286 63.233 0.053 17911 3700 1 7 . 1 1 68 68 SER H H 254 7.883 7.883 8.048 -0.165 17911 3701 1 7 . 1 1 69 69 ALA N N 255 123.895 123.895 123.722 0.173 17911 3702 1 7 . 1 1 69 69 ALA HA H 255 4.078 4.078 4.132 -0.054 17911 3703 1 7 . 1 1 69 69 ALA CA C 255 54.749 54.749 54.383 0.366 17911 3704 1 7 . 1 1 69 69 ALA CB C 255 17.992 17.992 18.281 -0.289 17911 3705 1 7 . 1 1 69 69 ALA H H 255 8.592 8.592 7.918 0.674 17911 3706 1 7 . 1 1 70 70 GLN N N 256 116.528 116.528 115.741 0.787 17911 3707 1 7 . 1 1 70 70 GLN HA H 256 4.011 4.011 4.151 -0.140 17911 3708 1 7 . 1 1 70 70 GLN CA C 256 58.634 58.634 57.712 0.922 17911 3709 1 7 . 1 1 70 70 GLN CB C 256 28.939 28.939 28.854 0.085 17911 3710 1 7 . 1 1 70 70 GLN H H 256 7.744 7.744 8.313 -0.569 17911 3711 1 7 . 1 1 71 71 THR N N 257 103.056 103.056 106.074 -3.018 17911 3712 1 7 . 1 1 71 71 THR HA H 257 4.277 4.277 4.569 -0.292 17911 3713 1 7 . 1 1 71 71 THR CA C 257 62.236 62.236 61.632 0.604 17911 3714 1 7 . 1 1 71 71 THR CB C 257 72.277 72.277 71.279 0.998 17911 3715 1 7 . 1 1 71 71 THR H H 257 7.401 7.401 7.424 -0.023 17911 3716 1 7 . 1 1 72 72 GLY N N 258 111.697 111.697 111.998 -0.301 17911 3717 1 7 . 1 1 72 72 GLY CA C 258 45.900 45.900 45.772 0.128 17911 3718 1 7 . 1 1 72 72 GLY H H 258 8.113 8.113 8.322 -0.209 17911 3719 1 7 . 1 1 73 73 ILE N N 259 120.078 120.078 123.114 -3.036 17911 3720 1 7 . 1 1 73 73 ILE HA H 259 4.451 4.451 4.345 0.106 17911 3721 1 7 . 1 1 73 73 ILE CA C 259 58.903 58.903 58.649 0.254 17911 3722 1 7 . 1 1 73 73 ILE CB C 259 38.497 38.497 36.464 2.033 17911 3723 1 7 . 1 1 73 73 ILE H H 259 7.598 7.598 7.564 0.034 17911 3724 1 7 . 1 1 74 74 ALA N N 260 107.454 107.454 131.338 -23.884 17911 3725 1 7 . 1 1 74 74 ALA HA H 260 4.178 4.178 4.265 -0.087 17911 3726 1 7 . 1 1 74 74 ALA CA C 260 52.622 52.622 52.559 0.063 17911 3727 1 7 . 1 1 74 74 ALA CB C 260 18.417 18.417 19.490 -1.073 17911 3728 1 7 . 1 1 74 74 ALA H H 260 9.477 9.477 8.578 0.899 17911 3729 1 7 . 1 1 75 75 VAL N N 261 124.569 124.569 122.224 2.345 17911 3730 1 7 . 1 1 75 75 VAL HA H 261 4.095 4.095 3.874 0.221 17911 3731 1 7 . 1 1 75 75 VAL CA C 261 66.637 66.637 65.429 1.208 17911 3732 1 7 . 1 1 75 75 VAL CB C 261 31.575 31.575 31.629 -0.054 17911 3733 1 7 . 1 1 75 75 VAL H H 261 8.927 8.927 8.716 0.211 17911 3734 1 7 . 1 1 76 76 LEU N N 262 117.285 117.285 118.432 -1.147 17911 3735 1 7 . 1 1 76 76 LEU HA H 262 3.827 3.827 3.984 -0.157 17911 3736 1 7 . 1 1 76 76 LEU CA C 262 58.067 58.067 57.381 0.686 17911 3737 1 7 . 1 1 76 76 LEU CB C 262 39.774 39.774 40.904 -1.131 17911 3738 1 7 . 1 1 76 76 LEU H H 262 8.949 8.949 8.050 0.899 17911 3739 1 7 . 1 1 77 77 ASP N N 263 120.854 120.854 121.554 -0.700 17911 3740 1 7 . 1 1 77 77 ASP HA H 263 4.639 4.639 4.667 -0.028 17911 3741 1 7 . 1 1 77 77 ASP CA C 263 57.131 57.131 56.978 0.153 17911 3742 1 7 . 1 1 77 77 ASP CB C 263 39.178 39.178 41.282 -2.104 17911 3743 1 7 . 1 1 77 77 ASP H H 263 7.011 7.011 7.820 -0.809 17911 3744 1 7 . 1 1 78 78 MET N N 264 124.661 124.661 120.582 4.079 17911 3745 1 7 . 1 1 78 78 MET HA H 264 4.343 4.343 4.151 0.192 17911 3746 1 7 . 1 1 78 78 MET CA C 264 57.131 57.131 57.430 -0.299 17911 3747 1 7 . 1 1 78 78 MET CB C 264 31.172 31.172 31.995 -0.823 17911 3748 1 7 . 1 1 78 78 MET H H 264 8.025 8.025 8.008 0.017 17911 3749 1 7 . 1 1 79 79 CYS N N 265 117.740 117.740 118.046 -0.306 17911 3750 1 7 . 1 1 79 79 CYS HA H 265 3.534 3.534 3.698 -0.164 17911 3751 1 7 . 1 1 79 79 CYS CA C 265 64.317 64.317 63.755 0.562 17911 3752 1 7 . 1 1 79 79 CYS CB C 265 25.564 25.564 25.894 -0.330 17911 3753 1 7 . 1 1 79 79 CYS H H 265 8.703 8.703 8.630 0.073 17911 3754 1 7 . 1 1 80 80 ALA N N 266 123.346 123.346 122.312 1.034 17911 3755 1 7 . 1 1 80 80 ALA HA H 266 3.884 3.884 4.020 -0.136 17911 3756 1 7 . 1 1 80 80 ALA CA C 266 55.174 55.174 55.131 0.043 17911 3757 1 7 . 1 1 80 80 ALA CB C 266 17.911 17.911 18.114 -0.203 17911 3758 1 7 . 1 1 80 80 ALA H H 266 7.745 7.745 7.760 -0.015 17911 3759 1 7 . 1 1 81 81 ALA N N 267 122.668 122.668 122.480 0.188 17911 3760 1 7 . 1 1 81 81 ALA HA H 267 4.236 4.236 4.122 0.114 17911 3761 1 7 . 1 1 81 81 ALA CA C 267 54.778 54.778 55.026 -0.248 17911 3762 1 7 . 1 1 81 81 ALA CB C 267 18.247 18.247 18.568 -0.321 17911 3763 1 7 . 1 1 81 81 ALA H H 267 7.513 7.513 8.170 -0.657 17911 3764 1 7 . 1 1 82 82 LEU N N 268 119.844 119.844 120.400 -0.556 17911 3765 1 7 . 1 1 82 82 LEU HA H 268 3.924 3.924 3.951 -0.027 17911 3766 1 7 . 1 1 82 82 LEU CA C 268 57.613 57.613 57.546 0.067 17911 3767 1 7 . 1 1 82 82 LEU CB C 268 40.681 40.681 41.389 -0.708 17911 3768 1 7 . 1 1 82 82 LEU H H 268 8.304 8.304 8.390 -0.086 17911 3769 1 7 . 1 1 83 83 LYS N N 269 119.140 119.140 118.956 0.184 17911 3770 1 7 . 1 1 83 83 LYS HA H 269 3.629 3.629 3.939 -0.310 17911 3771 1 7 . 1 1 83 83 LYS CA C 269 60.279 60.279 59.561 0.718 17911 3772 1 7 . 1 1 83 83 LYS CB C 269 33.052 33.052 32.430 0.622 17911 3773 1 7 . 1 1 83 83 LYS H H 269 8.881 8.881 8.526 0.355 17911 3774 1 7 . 1 1 84 84 GLU N N 270 116.647 116.647 117.207 -0.560 17911 3775 1 7 . 1 1 84 84 GLU HA H 270 4.085 4.085 4.231 -0.146 17911 3776 1 7 . 1 1 84 84 GLU CA C 270 58.903 58.903 58.315 0.588 17911 3777 1 7 . 1 1 84 84 GLU CB C 270 29.223 29.223 30.079 -0.856 17911 3778 1 7 . 1 1 84 84 GLU H H 270 7.107 7.107 7.638 -0.531 17911 3779 1 7 . 1 1 85 85 LEU N N 271 120.657 120.657 120.377 0.280 17911 3780 1 7 . 1 1 85 85 LEU HA H 271 3.992 3.992 4.084 -0.092 17911 3781 1 7 . 1 1 85 85 LEU CA C 271 57.872 57.872 57.934 -0.062 17911 3782 1 7 . 1 1 85 85 LEU CB C 271 42.326 42.326 41.599 0.727 17911 3783 1 7 . 1 1 85 85 LEU H H 271 7.757 7.757 8.410 -0.653 17911 3784 1 7 . 1 1 86 86 LEU N N 272 119.651 119.651 118.257 1.394 17911 3785 1 7 . 1 1 86 86 LEU HA H 272 3.535 3.535 3.949 -0.414 17911 3786 1 7 . 1 1 86 86 LEU CA C 272 57.356 57.356 56.545 0.811 17911 3787 1 7 . 1 1 86 86 LEU CB C 272 40.880 40.880 42.047 -1.167 17911 3788 1 7 . 1 1 86 86 LEU H H 272 8.336 8.336 8.359 -0.023 17911 3789 1 7 . 1 1 87 87 GLN N N 273 113.087 113.087 116.648 -3.561 17911 3790 1 7 . 1 1 87 87 GLN HA H 273 4.099 4.099 4.079 0.020 17911 3791 1 7 . 1 1 87 87 GLN CA C 273 58.387 58.387 56.216 2.171 17911 3792 1 7 . 1 1 87 87 GLN CB C 273 30.159 30.159 31.100 -0.941 17911 3793 1 7 . 1 1 87 87 GLN H H 273 7.422 7.422 7.856 -0.434 17911 3794 1 7 . 1 1 88 88 ASN N N 274 113.925 113.925 115.115 -1.190 17911 3795 1 7 . 1 1 88 88 ASN HA H 274 4.921 4.921 4.779 0.142 17911 3796 1 7 . 1 1 88 88 ASN CA C 274 53.747 53.747 53.785 -0.038 17911 3797 1 7 . 1 1 88 88 ASN CB C 274 40.625 40.625 40.175 0.450 17911 3798 1 7 . 1 1 88 88 ASN H H 274 8.388 8.388 8.623 -0.235 17911 3799 1 7 . 1 1 89 89 GLY N N 275 109.040 109.040 108.715 0.325 17911 3800 1 7 . 1 1 89 89 GLY CA C 275 44.709 44.709 43.828 0.881 17911 3801 1 7 . 1 1 89 89 GLY H H 275 7.698 7.698 7.900 -0.202 17911 3802 1 7 . 1 1 90 90 MET N N 276 115.183 115.183 118.025 -2.842 17911 3803 1 7 . 1 1 90 90 MET HA H 276 4.434 4.434 4.123 0.311 17911 3804 1 7 . 1 1 90 90 MET CA C 276 56.791 56.791 56.365 0.426 17911 3805 1 7 . 1 1 90 90 MET CB C 276 33.637 33.637 32.164 1.473 17911 3806 1 7 . 1 1 90 90 MET H H 276 8.599 8.599 8.691 -0.092 17911 3807 1 7 . 1 1 91 91 ASN N N 277 118.020 118.020 119.244 -1.224 17911 3808 1 7 . 1 1 91 91 ASN HA H 277 4.301 4.301 4.602 -0.301 17911 3809 1 7 . 1 1 91 91 ASN CA C 277 53.983 53.983 54.343 -0.360 17911 3810 1 7 . 1 1 91 91 ASN CB C 277 37.987 37.987 38.326 -0.339 17911 3811 1 7 . 1 1 91 91 ASN H H 277 9.033 9.033 8.620 0.413 17911 3812 1 7 . 1 1 92 92 GLY N N 278 104.906 104.906 106.975 -2.069 17911 3813 1 7 . 1 1 92 92 GLY CA C 278 45.645 45.645 45.026 0.619 17911 3814 1 7 . 1 1 92 92 GLY H H 278 8.538 8.538 8.237 0.301 17911 3815 1 7 . 1 1 93 93 ARG N N 279 120.056 120.056 120.252 -0.196 17911 3816 1 7 . 1 1 93 93 ARG HA H 279 4.237 4.237 4.625 -0.388 17911 3817 1 7 . 1 1 93 93 ARG CA C 279 55.344 55.344 54.508 0.836 17911 3818 1 7 . 1 1 93 93 ARG CB C 279 31.491 31.491 33.214 -1.723 17911 3819 1 7 . 1 1 93 93 ARG H H 279 7.257 7.257 7.637 -0.380 17911 3820 1 7 . 1 1 94 94 THR N N 280 106.223 106.223 112.130 -5.907 17911 3821 1 7 . 1 1 94 94 THR HA H 280 5.028 5.028 5.377 -0.349 17911 3822 1 7 . 1 1 94 94 THR CA C 280 59.684 59.684 60.640 -0.956 17911 3823 1 7 . 1 1 94 94 THR CB C 280 72.787 72.787 71.532 1.255 17911 3824 1 7 . 1 1 94 94 THR H H 280 7.726 7.726 8.277 -0.551 17911 3825 1 7 . 1 1 95 95 ILE N N 281 121.214 121.214 121.234 -0.020 17911 3826 1 7 . 1 1 95 95 ILE HA H 281 4.301 4.301 4.806 -0.505 17911 3827 1 7 . 1 1 95 95 ILE CA C 281 62.066 62.066 60.628 1.438 17911 3828 1 7 . 1 1 95 95 ILE CB C 281 40.539 40.539 41.494 -0.955 17911 3829 1 7 . 1 1 95 95 ILE H H 281 8.761 8.761 9.065 -0.304 17911 3830 1 7 . 1 1 96 96 LEU N N 282 128.347 128.347 125.606 2.741 17911 3831 1 7 . 1 1 96 96 LEU HA H 282 3.850 3.850 3.902 -0.052 17911 3832 1 7 . 1 1 96 96 LEU CA C 282 55.344 55.344 55.802 -0.458 17911 3833 1 7 . 1 1 96 96 LEU CB C 282 40.539 40.539 39.541 0.998 17911 3834 1 7 . 1 1 96 96 LEU H H 282 9.905 9.905 9.627 0.278 17911 3835 1 7 . 1 1 97 97 GLY N N 283 103.322 103.322 103.493 -0.171 17911 3836 1 7 . 1 1 97 97 GLY CA C 283 45.645 45.645 44.866 0.779 17911 3837 1 7 . 1 1 97 97 GLY H H 283 8.937 8.937 8.557 0.380 17911 3838 1 7 . 1 1 98 98 SER N N 284 116.619 116.619 115.291 1.328 17911 3839 1 7 . 1 1 98 98 SER HA H 284 4.950 4.950 5.007 -0.057 17911 3840 1 7 . 1 1 98 98 SER CA C 284 56.961 56.961 56.076 0.885 17911 3841 1 7 . 1 1 98 98 SER CB C 284 65.044 65.044 64.803 0.241 17911 3842 1 7 . 1 1 98 98 SER H H 284 8.612 8.612 8.032 0.580 17911 3843 1 7 . 1 1 99 99 THR N N 285 114.513 114.513 117.299 -2.786 17911 3844 1 7 . 1 1 99 99 THR HA H 285 4.598 4.598 4.585 0.013 17911 3845 1 7 . 1 1 99 99 THR CA C 285 61.739 61.739 62.477 -0.738 17911 3846 1 7 . 1 1 99 99 THR CB C 285 69.214 69.214 68.961 0.253 17911 3847 1 7 . 1 1 99 99 THR H H 285 8.601 8.601 8.697 -0.096 17911 3848 1 7 . 1 1 100 100 ILE N N 286 117.511 117.511 116.795 0.716 17911 3849 1 7 . 1 1 100 100 ILE HA H 286 4.496 4.496 4.639 -0.143 17911 3850 1 7 . 1 1 100 100 ILE CA C 286 59.173 59.173 59.453 -0.280 17911 3851 1 7 . 1 1 100 100 ILE CB C 286 41.887 41.887 40.907 0.980 17911 3852 1 7 . 1 1 100 100 ILE H H 286 7.931 7.931 7.432 0.499 17911 3853 1 7 . 1 1 101 101 LEU N N 287 121.101 121.101 115.888 5.213 17911 3854 1 7 . 1 1 101 101 LEU HA H 287 4.157 4.157 4.358 -0.201 17911 3855 1 7 . 1 1 101 101 LEU CA C 287 54.520 54.520 53.201 1.319 17911 3856 1 7 . 1 1 101 101 LEU CB C 287 40.083 40.083 43.979 -3.896 17911 3857 1 7 . 1 1 101 101 LEU H H 287 8.025 8.025 8.146 -0.121 17911 3858 1 7 . 1 1 102 102 GLU HA H 288 3.720 3.720 4.261 -0.541 17911 3859 1 7 . 1 1 102 102 GLU CA C 288 55.770 55.770 54.472 1.298 17911 3860 1 7 . 1 1 102 102 GLU CB C 288 29.904 29.904 32.652 -2.748 17911 3861 1 7 . 1 1 103 103 ASP N N 289 121.287 121.287 117.095 4.192 17911 3862 1 7 . 1 1 103 103 ASP HA H 289 4.513 4.513 4.659 -0.146 17911 3863 1 7 . 1 1 103 103 ASP CA C 289 52.281 52.281 53.965 -1.684 17911 3864 1 7 . 1 1 103 103 ASP CB C 289 42.922 42.922 41.398 1.524 17911 3865 1 7 . 1 1 103 103 ASP H H 289 8.014 8.014 8.538 -0.524 17911 3866 1 7 . 1 1 104 104 GLU N N 290 118.245 118.245 119.768 -1.523 17911 3867 1 7 . 1 1 104 104 GLU HA H 290 3.904 3.904 4.189 -0.285 17911 3868 1 7 . 1 1 104 104 GLU CA C 290 57.614 57.614 57.134 0.480 17911 3869 1 7 . 1 1 104 104 GLU CB C 290 30.499 30.499 29.677 0.822 17911 3870 1 7 . 1 1 104 104 GLU H H 290 7.432 7.432 8.524 -1.092 17911 3871 1 7 . 1 1 105 105 PHE N N 291 120.606 120.606 119.332 1.274 17911 3872 1 7 . 1 1 105 105 PHE HA H 291 4.838 4.838 4.521 0.317 17911 3873 1 7 . 1 1 105 105 PHE CA C 291 56.536 56.536 57.586 -1.050 17911 3874 1 7 . 1 1 105 105 PHE CB C 291 39.774 39.774 39.773 0.001 17911 3875 1 7 . 1 1 105 105 PHE H H 291 8.835 8.835 7.836 0.999 17911 3876 1 7 . 1 1 106 106 THR N N 292 111.349 111.349 115.738 -4.389 17911 3877 1 7 . 1 1 106 106 THR HA H 292 4.670 4.670 4.433 0.237 17911 3878 1 7 . 1 1 106 106 THR CA C 292 59.344 59.344 60.766 -1.422 17911 3879 1 7 . 1 1 106 106 THR CB C 292 69.299 69.299 68.811 0.488 17911 3880 1 7 . 1 1 106 106 THR H H 292 8.757 8.757 8.349 0.408 17911 3881 1 7 . 1 1 107 107 PRO HA H 293 3.988 3.988 4.697 -0.709 17911 3882 1 7 . 1 1 107 107 PRO CA C 293 65.606 65.606 62.169 3.437 17911 3883 1 7 . 1 1 107 107 PRO CB C 293 31.321 31.321 32.726 -1.405 17911 3884 1 7 . 1 1 108 108 PHE N N 294 114.627 114.627 116.406 -1.779 17911 3885 1 7 . 1 1 108 108 PHE HA H 294 4.201 4.201 4.358 -0.157 17911 3886 1 7 . 1 1 108 108 PHE CA C 294 59.676 59.676 60.637 -0.961 17911 3887 1 7 . 1 1 108 108 PHE CB C 294 38.582 38.582 38.727 -0.145 17911 3888 1 7 . 1 1 108 108 PHE H H 294 7.310 7.310 8.955 -1.645 17911 3889 1 7 . 1 1 109 109 ASP N N 295 120.210 120.210 116.294 3.916 17911 3890 1 7 . 1 1 109 109 ASP HA H 295 4.404 4.404 4.813 -0.409 17911 3891 1 7 . 1 1 109 109 ASP CA C 295 57.098 57.098 53.443 3.655 17911 3892 1 7 . 1 1 109 109 ASP CB C 295 41.475 41.475 44.470 -2.995 17911 3893 1 7 . 1 1 109 109 ASP H H 295 7.837 7.837 8.044 -0.207 17911 3894 1 7 . 1 1 110 110 VAL N N 296 119.070 119.070 120.463 -1.393 17911 3895 1 7 . 1 1 110 110 VAL HA H 296 3.602 3.602 4.332 -0.730 17911 3896 1 7 . 1 1 110 110 VAL CA C 296 66.491 66.491 62.144 4.347 17911 3897 1 7 . 1 1 110 110 VAL CB C 296 31.605 31.605 33.222 -1.617 17911 3898 1 7 . 1 1 110 110 VAL H H 296 7.945 7.945 8.720 -0.775 17911 3899 1 7 . 1 1 111 111 VAL N N 297 119.540 119.540 114.807 4.733 17911 3900 1 7 . 1 1 111 111 VAL HA H 297 3.601 3.601 4.354 -0.753 17911 3901 1 7 . 1 1 111 111 VAL CA C 297 66.379 66.379 62.183 4.196 17911 3902 1 7 . 1 1 111 111 VAL CB C 297 31.605 31.605 34.416 -2.811 17911 3903 1 7 . 1 1 111 111 VAL H H 297 8.109 8.109 8.895 -0.786 17911 3904 1 7 . 1 1 112 112 ARG N N 298 119.680 119.680 118.844 0.836 17911 3905 1 7 . 1 1 112 112 ARG HA H 298 4.010 4.010 4.081 -0.071 17911 3906 1 7 . 1 1 112 112 ARG CA C 298 58.634 58.634 57.762 0.872 17911 3907 1 7 . 1 1 112 112 ARG CB C 298 30.028 30.028 27.958 2.070 17911 3908 1 7 . 1 1 112 112 ARG H H 298 7.710 7.710 8.869 -1.159 17911 3909 1 7 . 1 1 113 113 GLN N N 299 117.786 117.786 118.940 -1.154 17911 3910 1 7 . 1 1 113 113 GLN HA H 299 4.158 4.158 4.149 0.009 17911 3911 1 7 . 1 1 113 113 GLN CA C 299 57.557 57.557 57.200 0.357 17911 3912 1 7 . 1 1 113 113 GLN CB C 299 29.308 29.308 28.968 0.340 17911 3913 1 7 . 1 1 113 113 GLN H H 299 8.033 8.033 8.175 -0.142 17911 3914 1 7 . 1 1 114 114 CYS N N 300 115.786 115.786 116.537 -0.751 17911 3915 1 7 . 1 1 114 114 CYS HA H 300 4.470 4.470 4.581 -0.111 17911 3916 1 7 . 1 1 114 114 CYS CA C 300 59.934 59.934 57.091 2.843 17911 3917 1 7 . 1 1 114 114 CYS CB C 300 28.293 28.293 29.616 -1.323 17911 3918 1 7 . 1 1 114 114 CYS H H 300 8.071 8.071 7.388 0.683 17911 3919 1 7 . 1 1 115 115 SER N N 301 116.258 116.258 118.091 -1.833 17911 3920 1 7 . 1 1 115 115 SER HA H 301 4.407 4.407 4.652 -0.245 17911 3921 1 7 . 1 1 115 115 SER CA C 301 59.485 59.485 57.528 1.957 17911 3922 1 7 . 1 1 115 115 SER CB C 301 63.286 63.286 64.378 -1.092 17911 3923 1 7 . 1 1 115 115 SER H H 301 7.883 7.883 8.589 -0.706 17911 3924 1 7 . 1 1 116 116 GLY N N 302 110.709 110.709 111.764 -1.055 17911 3925 1 7 . 1 1 116 116 GLY CA C 302 45.239 45.239 46.421 -1.182 17911 3926 1 7 . 1 1 116 116 GLY H H 302 8.355 8.355 8.243 0.112 17911 3927 1 7 . 1 1 117 117 VAL N N 303 119.189 119.189 111.358 7.831 17911 3928 1 7 . 1 1 117 117 VAL HA H 303 4.057 4.057 3.561 0.496 17911 3929 1 7 . 1 1 117 117 VAL CA C 303 62.236 62.236 63.412 -1.176 17911 3930 1 7 . 1 1 117 117 VAL CB C 303 32.626 32.626 29.978 2.648 17911 3931 1 7 . 1 1 117 117 VAL H H 303 7.710 7.710 8.087 -0.377 17911 3932 1 7 . 1 1 118 118 THR N N 304 118.009 118.009 114.407 3.602 17911 3933 1 7 . 1 1 118 118 THR HA H 304 4.279 4.279 4.350 -0.071 17911 3934 1 7 . 1 1 118 118 THR CA C 304 61.556 61.556 62.989 -1.433 17911 3935 1 7 . 1 1 118 118 THR CB C 304 69.894 69.894 69.758 0.136 17911 3936 1 7 . 1 1 118 118 THR H H 304 8.109 8.109 7.835 0.274 17911 3937 1 7 . 1 1 119 119 PHE N N 305 123.287 123.287 120.264 3.023 17911 3938 1 7 . 1 1 119 119 PHE HA H 305 4.605 4.605 4.692 -0.087 17911 3939 1 7 . 1 1 119 119 PHE CA C 305 57.727 57.727 59.668 -1.941 17911 3940 1 7 . 1 1 119 119 PHE CB C 305 39.859 39.859 39.666 0.193 17911 3941 1 7 . 1 1 119 119 PHE H H 305 8.298 8.298 7.896 0.402 17911 3942 1 8 . 1 1 2 2 ARG N N 188 121.886 121.886 124.056 -2.170 17911 3943 1 8 . 1 1 2 2 ARG HA H 188 4.242 4.242 3.969 0.273 17911 3944 1 8 . 1 1 2 2 ARG CA C 188 56.487 56.487 58.267 -1.780 17911 3945 1 8 . 1 1 2 2 ARG CB C 188 30.857 30.857 30.455 0.402 17911 3946 1 8 . 1 1 2 2 ARG H H 188 8.475 8.475 8.732 -0.257 17911 3947 1 8 . 1 1 3 3 GLN N N 189 121.336 121.336 119.414 1.922 17911 3948 1 8 . 1 1 3 3 GLN HA H 189 4.302 4.302 4.108 0.194 17911 3949 1 8 . 1 1 3 3 GLN CA C 189 56.366 56.366 58.151 -1.785 17911 3950 1 8 . 1 1 3 3 GLN CB C 189 29.254 29.254 28.427 0.827 17911 3951 1 8 . 1 1 3 3 GLN H H 189 8.553 8.553 8.419 0.134 17911 3952 1 8 . 1 1 4 4 THR N N 190 115.273 115.273 109.450 5.823 17911 3953 1 8 . 1 1 4 4 THR HA H 190 4.275 4.275 4.172 0.103 17911 3954 1 8 . 1 1 4 4 THR CA C 190 62.066 62.066 63.101 -1.035 17911 3955 1 8 . 1 1 4 4 THR CB C 190 69.894 69.894 69.427 0.467 17911 3956 1 8 . 1 1 4 4 THR H H 190 8.123 8.123 7.855 0.268 17911 3957 1 8 . 1 1 5 5 ALA N N 191 126.029 126.029 122.214 3.815 17911 3958 1 8 . 1 1 5 5 ALA HA H 191 4.247 4.247 4.505 -0.258 17911 3959 1 8 . 1 1 5 5 ALA CA C 191 52.537 52.537 51.959 0.578 17911 3960 1 8 . 1 1 5 5 ALA CB C 191 19.183 19.183 20.534 -1.351 17911 3961 1 8 . 1 1 5 5 ALA H H 191 8.284 8.284 7.666 0.618 17911 3962 1 8 . 1 1 6 6 GLN N N 192 119.614 119.614 116.483 3.131 17911 3963 1 8 . 1 1 6 6 GLN HA H 192 4.217 4.217 3.843 0.374 17911 3964 1 8 . 1 1 6 6 GLN CA C 192 55.685 55.685 56.796 -1.111 17911 3965 1 8 . 1 1 6 6 GLN CB C 192 29.513 29.513 26.282 3.231 17911 3966 1 8 . 1 1 6 6 GLN H H 192 8.287 8.287 8.648 -0.361 17911 3967 1 8 . 1 1 7 7 ALA N N 193 125.571 125.571 122.342 3.229 17911 3968 1 8 . 1 1 7 7 ALA HA H 193 4.246 4.246 4.000 0.246 17911 3969 1 8 . 1 1 7 7 ALA CA C 193 52.537 52.537 54.658 -2.121 17911 3970 1 8 . 1 1 7 7 ALA CB C 193 19.268 19.268 18.718 0.550 17911 3971 1 8 . 1 1 7 7 ALA H H 193 8.271 8.271 8.747 -0.476 17911 3972 1 8 . 1 1 8 8 ALA N N 194 123.461 123.461 120.898 2.563 17911 3973 1 8 . 1 1 8 8 ALA HA H 194 4.250 4.250 4.150 0.100 17911 3974 1 8 . 1 1 8 8 ALA CA C 194 52.593 52.593 53.487 -0.894 17911 3975 1 8 . 1 1 8 8 ALA CB C 194 19.324 19.324 18.514 0.810 17911 3976 1 8 . 1 1 8 8 ALA H H 194 8.275 8.275 8.199 0.076 17911 3977 1 8 . 1 1 9 9 GLY N N 195 108.312 108.312 107.119 1.193 17911 3978 1 8 . 1 1 9 9 GLY CA C 195 45.219 45.219 46.378 -1.159 17911 3979 1 8 . 1 1 9 9 GLY H H 195 8.328 8.328 8.269 0.059 17911 3980 1 8 . 1 1 10 10 THR N N 196 112.710 112.710 113.612 -0.902 17911 3981 1 8 . 1 1 10 10 THR HA H 196 4.334 4.334 4.055 0.279 17911 3982 1 8 . 1 1 10 10 THR CA C 196 61.471 61.471 63.205 -1.734 17911 3983 1 8 . 1 1 10 10 THR CB C 196 69.894 69.894 69.147 0.747 17911 3984 1 8 . 1 1 10 10 THR H H 196 7.998 7.998 7.409 0.589 17911 3985 1 8 . 1 1 11 11 ASP N N 197 122.862 122.862 122.858 0.004 17911 3986 1 8 . 1 1 11 11 ASP HA H 197 4.609 4.609 4.270 0.339 17911 3987 1 8 . 1 1 11 11 ASP CA C 197 54.262 54.262 54.985 -0.723 17911 3988 1 8 . 1 1 11 11 ASP CB C 197 41.135 41.135 39.893 1.242 17911 3989 1 8 . 1 1 11 11 ASP H H 197 8.404 8.404 7.771 0.633 17911 3990 1 8 . 1 1 12 12 THR N N 198 114.709 114.709 111.291 3.418 17911 3991 1 8 . 1 1 12 12 THR HA H 198 4.400 4.400 4.313 0.087 17911 3992 1 8 . 1 1 12 12 THR CA C 198 61.223 61.223 62.828 -1.605 17911 3993 1 8 . 1 1 12 12 THR CB C 198 70.490 70.490 69.134 1.356 17911 3994 1 8 . 1 1 12 12 THR H H 198 7.895 7.895 8.190 -0.295 17911 3995 1 8 . 1 1 13 13 THR N N 199 122.785 122.785 120.701 2.084 17911 3996 1 8 . 1 1 13 13 THR HA H 199 3.961 3.961 4.081 -0.120 17911 3997 1 8 . 1 1 13 13 THR CA C 199 63.286 63.286 63.569 -0.283 17911 3998 1 8 . 1 1 13 13 THR CB C 199 68.958 68.958 68.897 0.061 17911 3999 1 8 . 1 1 13 13 THR H H 199 8.354 8.354 8.246 0.108 17911 4000 1 8 . 1 1 14 14 ILE N N 200 127.902 127.902 129.427 -1.525 17911 4001 1 8 . 1 1 14 14 ILE HA H 200 3.807 3.807 4.153 -0.346 17911 4002 1 8 . 1 1 14 14 ILE CA C 200 60.965 60.965 61.356 -0.391 17911 4003 1 8 . 1 1 14 14 ILE CB C 200 35.860 35.860 35.770 0.090 17911 4004 1 8 . 1 1 14 14 ILE H H 200 9.362 9.362 9.059 0.303 17911 4005 1 8 . 1 1 15 15 THR N N 201 130.379 130.379 123.349 7.030 17911 4006 1 8 . 1 1 15 15 THR HA H 201 3.521 3.521 4.034 -0.513 17911 4007 1 8 . 1 1 15 15 THR CA C 201 66.637 66.637 67.029 -0.392 17911 4008 1 8 . 1 1 15 15 THR CB C 201 67.411 67.411 68.530 -1.119 17911 4009 1 8 . 1 1 15 15 THR H H 201 7.834 7.834 8.184 -0.350 17911 4010 1 8 . 1 1 16 16 LEU N N 202 120.049 120.049 120.916 -0.867 17911 4011 1 8 . 1 1 16 16 LEU HA H 202 3.715 3.715 4.080 -0.365 17911 4012 1 8 . 1 1 16 16 LEU CA C 202 58.387 58.387 58.527 -0.140 17911 4013 1 8 . 1 1 16 16 LEU CB C 202 43.148 43.148 41.257 1.891 17911 4014 1 8 . 1 1 16 16 LEU H H 202 8.913 8.913 8.454 0.459 17911 4015 1 8 . 1 1 17 17 ASN N N 203 117.390 117.390 117.658 -0.268 17911 4016 1 8 . 1 1 17 17 ASN HA H 203 4.594 4.594 4.629 -0.035 17911 4017 1 8 . 1 1 17 17 ASN CA C 203 54.520 54.520 56.206 -1.686 17911 4018 1 8 . 1 1 17 17 ASN CB C 203 37.246 37.246 38.108 -0.862 17911 4019 1 8 . 1 1 17 17 ASN H H 203 6.926 6.926 8.058 -1.132 17911 4020 1 8 . 1 1 18 18 VAL N N 204 123.434 123.434 122.258 1.176 17911 4021 1 8 . 1 1 18 18 VAL HA H 204 4.242 4.242 3.962 0.280 17911 4022 1 8 . 1 1 18 18 VAL CA C 204 66.236 66.236 66.532 -0.296 17911 4023 1 8 . 1 1 18 18 VAL CB C 204 31.605 31.605 31.862 -0.257 17911 4024 1 8 . 1 1 18 18 VAL H H 204 7.660 7.660 7.670 -0.010 17911 4025 1 8 . 1 1 19 19 LEU N N 205 117.301 117.301 120.662 -3.361 17911 4026 1 8 . 1 1 19 19 LEU HA H 205 3.945 3.945 3.911 0.034 17911 4027 1 8 . 1 1 19 19 LEU CA C 205 58.408 58.408 58.296 0.112 17911 4028 1 8 . 1 1 19 19 LEU CB C 205 42.918 42.918 41.285 1.633 17911 4029 1 8 . 1 1 19 19 LEU H H 205 8.573 8.573 8.577 -0.004 17911 4030 1 8 . 1 1 20 20 ALA N N 206 120.290 120.290 121.971 -1.681 17911 4031 1 8 . 1 1 20 20 ALA HA H 206 4.012 4.012 4.229 -0.217 17911 4032 1 8 . 1 1 20 20 ALA CA C 206 56.195 56.195 55.258 0.937 17911 4033 1 8 . 1 1 20 20 ALA CB C 206 17.911 17.911 18.149 -0.238 17911 4034 1 8 . 1 1 20 20 ALA H H 206 8.188 8.188 8.418 -0.230 17911 4035 1 8 . 1 1 21 21 TRP N N 207 121.219 121.219 120.688 0.531 17911 4036 1 8 . 1 1 21 21 TRP HA H 207 4.110 4.110 4.202 -0.092 17911 4037 1 8 . 1 1 21 21 TRP CA C 207 61.224 61.224 61.999 -0.775 17911 4038 1 8 . 1 1 21 21 TRP CB C 207 28.712 28.712 29.355 -0.643 17911 4039 1 8 . 1 1 21 21 TRP H H 207 8.406 8.406 8.471 -0.065 17911 4040 1 8 . 1 1 22 22 LEU HA H 208 3.517 3.517 3.701 -0.184 17911 4041 1 8 . 1 1 22 22 LEU CA C 208 57.897 57.897 58.261 -0.364 17911 4042 1 8 . 1 1 22 22 LEU CB C 208 40.880 40.880 41.181 -0.301 17911 4043 1 8 . 1 1 22 22 LEU H H 208 8.620 8.620 8.712 -0.092 17911 4044 1 8 . 1 1 23 23 TYR N N 209 117.656 117.656 118.808 -1.152 17911 4045 1 8 . 1 1 23 23 TYR HA H 209 3.956 3.956 4.076 -0.120 17911 4046 1 8 . 1 1 23 23 TYR CA C 209 64.704 64.704 61.971 2.733 17911 4047 1 8 . 1 1 23 23 TYR CB C 209 38.793 38.793 37.495 1.298 17911 4048 1 8 . 1 1 23 23 TYR H H 209 8.368 8.368 8.421 -0.053 17911 4049 1 8 . 1 1 24 24 ALA N N 210 122.658 122.658 121.149 1.509 17911 4050 1 8 . 1 1 24 24 ALA HA H 210 3.837 3.837 3.814 0.023 17911 4051 1 8 . 1 1 24 24 ALA CA C 210 55.036 55.036 54.810 0.226 17911 4052 1 8 . 1 1 24 24 ALA CB C 210 17.311 17.311 17.878 -0.567 17911 4053 1 8 . 1 1 24 24 ALA H H 210 8.461 8.461 8.208 0.253 17911 4054 1 8 . 1 1 25 25 ALA N N 211 123.868 123.868 121.777 2.091 17911 4055 1 8 . 1 1 25 25 ALA HA H 211 3.761 3.761 3.755 0.006 17911 4056 1 8 . 1 1 25 25 ALA CA C 211 55.551 55.551 54.761 0.790 17911 4057 1 8 . 1 1 25 25 ALA CB C 211 17.992 17.992 18.171 -0.178 17911 4058 1 8 . 1 1 25 25 ALA H H 211 8.564 8.564 7.721 0.843 17911 4059 1 8 . 1 1 26 26 VAL N N 212 119.783 119.783 119.188 0.595 17911 4060 1 8 . 1 1 26 26 VAL HA H 212 3.487 3.487 3.604 -0.117 17911 4061 1 8 . 1 1 26 26 VAL CA C 212 66.576 66.576 66.333 0.243 17911 4062 1 8 . 1 1 26 26 VAL CB C 212 31.575 31.575 31.776 -0.200 17911 4063 1 8 . 1 1 26 26 VAL H H 212 8.008 8.008 8.008 -0.000 17911 4064 1 8 . 1 1 27 27 ILE N N 213 124.428 124.428 117.956 6.472 17911 4065 1 8 . 1 1 27 27 ILE HA H 213 3.559 3.559 3.675 -0.116 17911 4066 1 8 . 1 1 27 27 ILE CA C 213 65.526 65.526 64.755 0.771 17911 4067 1 8 . 1 1 27 27 ILE CB C 213 37.902 37.902 37.798 0.104 17911 4068 1 8 . 1 1 27 27 ILE H H 213 8.576 8.576 8.298 0.278 17911 4069 1 8 . 1 1 28 28 ASN N N 214 116.563 116.563 115.672 0.891 17911 4070 1 8 . 1 1 28 28 ASN HA H 214 4.565 4.565 4.602 -0.037 17911 4071 1 8 . 1 1 28 28 ASN CA C 214 54.579 54.579 54.852 -0.273 17911 4072 1 8 . 1 1 28 28 ASN CB C 214 40.340 40.340 40.254 0.086 17911 4073 1 8 . 1 1 28 28 ASN H H 214 7.714 7.714 7.937 -0.223 17911 4074 1 8 . 1 1 29 29 GLY N N 215 107.004 107.004 106.434 0.570 17911 4075 1 8 . 1 1 29 29 GLY CA C 215 45.683 45.683 44.902 0.781 17911 4076 1 8 . 1 1 29 29 GLY H H 215 7.861 7.861 8.197 -0.336 17911 4077 1 8 . 1 1 30 30 ASP N N 216 125.780 125.780 124.646 1.134 17911 4078 1 8 . 1 1 30 30 ASP HA H 216 5.019 5.019 4.586 0.433 17911 4079 1 8 . 1 1 30 30 ASP CA C 216 53.643 53.643 55.056 -1.413 17911 4080 1 8 . 1 1 30 30 ASP CB C 216 41.561 41.561 40.212 1.349 17911 4081 1 8 . 1 1 30 30 ASP H H 216 8.560 8.560 8.041 0.519 17911 4082 1 8 . 1 1 31 31 ARG N N 217 115.297 115.297 120.803 -5.506 17911 4083 1 8 . 1 1 31 31 ARG HA H 217 3.711 3.711 2.918 0.793 17911 4084 1 8 . 1 1 31 31 ARG CA C 217 54.520 54.520 54.963 -0.443 17911 4085 1 8 . 1 1 31 31 ARG CB C 217 32.116 32.116 30.524 1.592 17911 4086 1 8 . 1 1 31 31 ARG H H 217 7.984 7.984 7.308 0.676 17911 4087 1 8 . 1 1 32 32 TRP N N 218 119.754 119.754 119.831 -0.077 17911 4088 1 8 . 1 1 32 32 TRP HA H 218 4.120 4.120 4.266 -0.146 17911 4089 1 8 . 1 1 32 32 TRP CA C 218 58.387 58.387 57.458 0.929 17911 4090 1 8 . 1 1 32 32 TRP CB C 218 28.372 28.372 27.986 0.386 17911 4091 1 8 . 1 1 32 32 TRP H H 218 7.368 7.368 7.059 0.309 17911 4092 1 8 . 1 1 33 33 PHE HA H 219 3.919 3.919 4.536 -0.617 17911 4093 1 8 . 1 1 33 33 PHE CA C 219 55.315 55.315 55.926 -0.611 17911 4094 1 8 . 1 1 33 33 PHE CB C 219 37.277 37.277 37.607 -0.330 17911 4095 1 8 . 1 1 34 34 LEU N N 220 122.632 122.632 125.354 -2.722 17911 4096 1 8 . 1 1 34 34 LEU HA H 220 3.931 3.931 4.454 -0.523 17911 4097 1 8 . 1 1 34 34 LEU CA C 220 55.315 55.315 53.711 1.604 17911 4098 1 8 . 1 1 34 34 LEU CB C 220 40.790 40.790 39.770 1.020 17911 4099 1 8 . 1 1 34 34 LEU H H 220 6.447 6.447 7.267 -0.820 17911 4100 1 8 . 1 1 35 35 ASN N N 221 119.503 119.503 121.260 -1.757 17911 4101 1 8 . 1 1 35 35 ASN HA H 221 4.709 4.709 4.593 0.116 17911 4102 1 8 . 1 1 35 35 ASN CA C 221 52.026 52.026 53.268 -1.242 17911 4103 1 8 . 1 1 35 35 ASN CB C 221 40.598 40.598 39.245 1.353 17911 4104 1 8 . 1 1 35 35 ASN H H 221 8.105 8.105 8.262 -0.157 17911 4105 1 8 . 1 1 36 36 ARG N N 222 116.408 116.408 118.295 -1.887 17911 4106 1 8 . 1 1 36 36 ARG HA H 222 4.293 4.293 4.173 0.120 17911 4107 1 8 . 1 1 36 36 ARG CA C 222 55.600 55.600 56.290 -0.690 17911 4108 1 8 . 1 1 36 36 ARG CB C 222 28.997 28.997 28.511 0.486 17911 4109 1 8 . 1 1 36 36 ARG H H 222 8.099 8.099 8.550 -0.451 17911 4110 1 8 . 1 1 37 37 PHE N N 223 120.398 120.398 119.095 1.303 17911 4111 1 8 . 1 1 37 37 PHE HA H 223 4.813 4.813 4.768 0.045 17911 4112 1 8 . 1 1 37 37 PHE CA C 223 56.081 56.081 56.113 -0.032 17911 4113 1 8 . 1 1 37 37 PHE CB C 223 40.085 40.085 42.637 -2.552 17911 4114 1 8 . 1 1 37 37 PHE H H 223 7.842 7.842 7.748 0.094 17911 4115 1 8 . 1 1 38 38 THR N N 224 112.040 112.040 115.777 -3.737 17911 4116 1 8 . 1 1 38 38 THR HA H 224 4.653 4.653 4.816 -0.163 17911 4117 1 8 . 1 1 38 38 THR CA C 224 60.708 60.708 61.641 -0.932 17911 4118 1 8 . 1 1 38 38 THR CB C 224 71.000 71.000 71.020 -0.020 17911 4119 1 8 . 1 1 38 38 THR H H 224 8.231 8.231 8.321 -0.090 17911 4120 1 8 . 1 1 39 39 THR N N 225 116.627 116.627 119.282 -2.655 17911 4121 1 8 . 1 1 39 39 THR HA H 225 4.925 4.925 4.632 0.293 17911 4122 1 8 . 1 1 39 39 THR CA C 225 59.677 59.677 60.191 -0.513 17911 4123 1 8 . 1 1 39 39 THR CB C 225 69.989 69.989 70.308 -0.319 17911 4124 1 8 . 1 1 39 39 THR H H 225 8.107 8.107 8.395 -0.288 17911 4125 1 8 . 1 1 40 40 THR N N 226 111.263 111.263 115.383 -4.120 17911 4126 1 8 . 1 1 40 40 THR HA H 226 4.727 4.727 4.457 0.270 17911 4127 1 8 . 1 1 40 40 THR CA C 226 59.740 59.740 60.868 -1.129 17911 4128 1 8 . 1 1 40 40 THR CB C 226 72.052 72.052 70.573 1.479 17911 4129 1 8 . 1 1 40 40 THR H H 226 8.481 8.481 8.188 0.293 17911 4130 1 8 . 1 1 41 41 LEU N N 227 123.989 123.989 124.543 -0.554 17911 4131 1 8 . 1 1 41 41 LEU HA H 227 3.986 3.986 4.153 -0.167 17911 4132 1 8 . 1 1 41 41 LEU CA C 227 58.903 58.903 58.223 0.680 17911 4133 1 8 . 1 1 41 41 LEU CB C 227 41.561 41.561 41.903 -0.342 17911 4134 1 8 . 1 1 41 41 LEU H H 227 9.259 9.259 8.834 0.425 17911 4135 1 8 . 1 1 42 42 ASN N N 228 115.183 115.183 117.041 -1.858 17911 4136 1 8 . 1 1 42 42 ASN HA H 228 4.435 4.435 4.413 0.022 17911 4137 1 8 . 1 1 42 42 ASN CA C 228 56.961 56.961 57.337 -0.376 17911 4138 1 8 . 1 1 42 42 ASN CB C 228 38.497 38.497 38.163 0.334 17911 4139 1 8 . 1 1 42 42 ASN H H 228 8.598 8.598 8.487 0.111 17911 4140 1 8 . 1 1 43 43 ASP N N 229 118.746 118.746 120.352 -1.606 17911 4141 1 8 . 1 1 43 43 ASP HA H 229 4.367 4.367 4.425 -0.058 17911 4142 1 8 . 1 1 43 43 ASP CA C 229 57.387 57.387 57.284 0.103 17911 4143 1 8 . 1 1 43 43 ASP CB C 229 40.625 40.625 40.933 -0.308 17911 4144 1 8 . 1 1 43 43 ASP H H 229 7.847 7.847 7.928 -0.081 17911 4145 1 8 . 1 1 44 44 PHE N N 230 120.193 120.193 120.954 -0.761 17911 4146 1 8 . 1 1 44 44 PHE HA H 230 3.808 3.808 4.077 -0.269 17911 4147 1 8 . 1 1 44 44 PHE CA C 230 62.747 62.747 61.872 0.875 17911 4148 1 8 . 1 1 44 44 PHE CB C 230 38.753 38.753 39.172 -0.419 17911 4149 1 8 . 1 1 44 44 PHE H H 230 8.547 8.547 8.366 0.181 17911 4150 1 8 . 1 1 45 45 ASN N N 231 118.852 118.852 118.317 0.535 17911 4151 1 8 . 1 1 45 45 ASN HA H 231 4.472 4.472 4.252 0.220 17911 4152 1 8 . 1 1 45 45 ASN CA C 231 55.344 55.344 56.139 -0.795 17911 4153 1 8 . 1 1 45 45 ASN CB C 231 37.391 37.391 38.063 -0.672 17911 4154 1 8 . 1 1 45 45 ASN H H 231 8.727 8.727 8.518 0.209 17911 4155 1 8 . 1 1 46 46 LEU N N 232 120.221 120.221 120.853 -0.632 17911 4156 1 8 . 1 1 46 46 LEU HA H 232 4.065 4.065 3.942 0.123 17911 4157 1 8 . 1 1 46 46 LEU CA C 232 58.152 58.152 58.356 -0.204 17911 4158 1 8 . 1 1 46 46 LEU CB C 232 42.071 42.071 41.892 0.179 17911 4159 1 8 . 1 1 46 46 LEU H H 232 7.516 7.516 8.348 -0.832 17911 4160 1 8 . 1 1 47 47 VAL N N 233 119.649 119.649 118.828 0.821 17911 4161 1 8 . 1 1 47 47 VAL HA H 233 3.604 3.604 3.473 0.131 17911 4162 1 8 . 1 1 47 47 VAL CA C 233 65.864 65.864 66.603 -0.739 17911 4163 1 8 . 1 1 47 47 VAL CB C 233 31.575 31.575 31.456 0.119 17911 4164 1 8 . 1 1 47 47 VAL H H 233 6.987 6.987 8.105 -1.118 17911 4165 1 8 . 1 1 48 48 ALA N N 234 122.056 122.056 122.502 -0.446 17911 4166 1 8 . 1 1 48 48 ALA HA H 234 3.451 3.451 3.785 -0.334 17911 4167 1 8 . 1 1 48 48 ALA CA C 234 55.741 55.741 55.226 0.515 17911 4168 1 8 . 1 1 48 48 ALA CB C 234 16.971 16.971 18.014 -1.043 17911 4169 1 8 . 1 1 48 48 ALA H H 234 8.480 8.480 8.144 0.336 17911 4170 1 8 . 1 1 49 49 MET N N 235 114.180 114.180 117.586 -3.406 17911 4171 1 8 . 1 1 49 49 MET HA H 235 4.272 4.272 4.218 0.054 17911 4172 1 8 . 1 1 49 49 MET CA C 235 59.003 59.003 58.831 0.171 17911 4173 1 8 . 1 1 49 49 MET CB C 235 32.967 32.967 32.594 0.373 17911 4174 1 8 . 1 1 49 49 MET H H 235 7.950 7.950 8.223 -0.273 17911 4175 1 8 . 1 1 50 50 LYS N N 236 120.217 120.217 120.530 -0.313 17911 4176 1 8 . 1 1 50 50 LYS HA H 236 3.945 3.945 3.868 0.077 17911 4177 1 8 . 1 1 50 50 LYS CA C 236 58.378 58.378 58.623 -0.245 17911 4178 1 8 . 1 1 50 50 LYS CB C 236 31.833 31.833 32.444 -0.611 17911 4179 1 8 . 1 1 50 50 LYS H H 236 7.378 7.378 7.885 -0.507 17911 4180 1 8 . 1 1 51 51 TYR N N 237 115.853 115.853 115.604 0.249 17911 4181 1 8 . 1 1 51 51 TYR HA H 237 4.462 4.462 4.650 -0.188 17911 4182 1 8 . 1 1 51 51 TYR CA C 237 58.293 58.293 56.893 1.400 17911 4183 1 8 . 1 1 51 51 TYR CB C 237 38.668 38.668 37.286 1.382 17911 4184 1 8 . 1 1 51 51 TYR H H 237 7.392 7.392 7.392 0.000 17911 4185 1 8 . 1 1 52 52 ASN N N 238 115.965 115.965 116.281 -0.316 17911 4186 1 8 . 1 1 52 52 ASN HA H 238 4.403 4.403 4.375 0.028 17911 4187 1 8 . 1 1 52 52 ASN CA C 238 54.834 54.834 54.449 0.385 17911 4188 1 8 . 1 1 52 52 ASN CB C 238 36.881 36.881 37.683 -0.802 17911 4189 1 8 . 1 1 52 52 ASN H H 238 7.914 7.914 7.751 0.163 17911 4190 1 8 . 1 1 53 53 TYR N N 239 120.379 120.379 117.520 2.859 17911 4191 1 8 . 1 1 53 53 TYR HA H 239 4.675 4.675 4.890 -0.215 17911 4192 1 8 . 1 1 53 53 TYR CA C 239 57.387 57.387 56.810 0.577 17911 4193 1 8 . 1 1 53 53 TYR CB C 239 37.788 37.788 40.371 -2.583 17911 4194 1 8 . 1 1 53 53 TYR H H 239 8.341 8.341 8.339 0.002 17911 4195 1 8 . 1 1 54 54 GLU N N 240 122.559 122.559 122.238 0.321 17911 4196 1 8 . 1 1 54 54 GLU HA H 240 4.317 4.317 4.430 -0.113 17911 4197 1 8 . 1 1 54 54 GLU CA C 240 54.579 54.579 55.120 -0.541 17911 4198 1 8 . 1 1 54 54 GLU CB C 240 30.802 30.802 29.845 0.957 17911 4199 1 8 . 1 1 54 54 GLU H H 240 8.114 8.114 8.613 -0.499 17911 4200 1 8 . 1 1 55 55 PRO HA H 241 4.314 4.314 4.443 -0.129 17911 4201 1 8 . 1 1 55 55 PRO CA C 241 62.973 62.973 62.736 0.237 17911 4202 1 8 . 1 1 55 55 PRO CB C 241 31.917 31.917 32.470 -0.553 17911 4203 1 8 . 1 1 56 56 LEU N N 242 124.468 124.468 120.780 3.688 17911 4204 1 8 . 1 1 56 56 LEU HA H 242 5.200 5.200 4.687 0.513 17911 4205 1 8 . 1 1 56 56 LEU CA C 242 53.747 53.747 53.961 -0.214 17911 4206 1 8 . 1 1 56 56 LEU CB C 242 45.560 45.560 46.400 -0.840 17911 4207 1 8 . 1 1 56 56 LEU H H 242 9.650 9.650 9.222 0.428 17911 4208 1 8 . 1 1 57 57 THR N N 243 116.700 116.700 113.614 3.086 17911 4209 1 8 . 1 1 57 57 THR HA H 243 4.664 4.664 4.886 -0.222 17911 4210 1 8 . 1 1 57 57 THR CA C 243 59.429 59.429 60.034 -0.605 17911 4211 1 8 . 1 1 57 57 THR CB C 243 71.851 71.851 71.611 0.240 17911 4212 1 8 . 1 1 57 57 THR H H 243 9.279 9.279 8.532 0.747 17911 4213 1 8 . 1 1 58 58 GLN N N 244 119.764 119.764 121.216 -1.452 17911 4214 1 8 . 1 1 58 58 GLN HA H 244 3.827 3.827 4.018 -0.191 17911 4215 1 8 . 1 1 58 58 GLN CA C 244 58.130 58.130 59.617 -1.487 17911 4216 1 8 . 1 1 58 58 GLN CB C 244 27.777 27.777 28.169 -0.392 17911 4217 1 8 . 1 1 58 58 GLN H H 244 8.959 8.959 9.040 -0.081 17911 4218 1 8 . 1 1 59 59 ASP N N 245 117.059 117.059 116.913 0.146 17911 4219 1 8 . 1 1 59 59 ASP HA H 245 4.325 4.325 4.368 -0.043 17911 4220 1 8 . 1 1 59 59 ASP CA C 245 57.301 57.301 56.719 0.582 17911 4221 1 8 . 1 1 59 59 ASP CB C 245 40.029 40.029 40.292 -0.263 17911 4222 1 8 . 1 1 59 59 ASP H H 245 7.838 7.838 8.959 -1.121 17911 4223 1 8 . 1 1 60 60 HIS N N 246 119.076 119.076 118.278 0.798 17911 4224 1 8 . 1 1 60 60 HIS HA H 246 4.296 4.296 4.602 -0.306 17911 4225 1 8 . 1 1 60 60 HIS CA C 246 58.645 58.645 58.643 0.002 17911 4226 1 8 . 1 1 60 60 HIS CB C 246 32.864 32.864 30.440 2.424 17911 4227 1 8 . 1 1 60 60 HIS H H 246 7.333 7.333 7.606 -0.273 17911 4228 1 8 . 1 1 61 61 VAL N N 247 118.215 118.215 121.544 -3.329 17911 4229 1 8 . 1 1 61 61 VAL HA H 247 3.400 3.400 3.665 -0.265 17911 4230 1 8 . 1 1 61 61 VAL CA C 247 67.257 67.257 67.083 0.174 17911 4231 1 8 . 1 1 61 61 VAL CB C 247 31.010 31.010 31.548 -0.538 17911 4232 1 8 . 1 1 61 61 VAL H H 247 7.565 7.565 8.558 -0.993 17911 4233 1 8 . 1 1 62 62 ASP N N 248 119.651 119.651 119.700 -0.049 17911 4234 1 8 . 1 1 62 62 ASP HA H 248 4.358 4.358 4.309 0.049 17911 4235 1 8 . 1 1 62 62 ASP CA C 248 57.557 57.557 57.342 0.215 17911 4236 1 8 . 1 1 62 62 ASP CB C 248 40.027 40.027 40.900 -0.873 17911 4237 1 8 . 1 1 62 62 ASP H H 248 8.142 8.142 8.286 -0.144 17911 4238 1 8 . 1 1 63 63 ILE N N 249 123.545 123.545 119.049 4.496 17911 4239 1 8 . 1 1 63 63 ILE HA H 249 3.756 3.756 3.788 -0.032 17911 4240 1 8 . 1 1 63 63 ILE CA C 249 64.832 64.832 63.826 1.006 17911 4241 1 8 . 1 1 63 63 ILE CB C 249 37.817 37.817 38.082 -0.265 17911 4242 1 8 . 1 1 63 63 ILE H H 249 8.017 8.017 7.405 0.612 17911 4243 1 8 . 1 1 64 64 LEU N N 250 117.125 117.125 116.930 0.195 17911 4244 1 8 . 1 1 64 64 LEU HA H 250 4.094 4.094 4.325 -0.231 17911 4245 1 8 . 1 1 64 64 LEU CA C 250 55.004 55.004 55.097 -0.093 17911 4246 1 8 . 1 1 64 64 LEU CB C 250 42.662 42.662 41.589 1.073 17911 4247 1 8 . 1 1 64 64 LEU H H 250 7.217 7.217 7.659 -0.442 17911 4248 1 8 . 1 1 65 65 GLY N N 251 108.388 108.388 108.898 -0.510 17911 4249 1 8 . 1 1 65 65 GLY CA C 251 48.708 48.708 48.601 0.107 17911 4250 1 8 . 1 1 65 65 GLY H H 251 7.794 7.794 8.157 -0.363 17911 4251 1 8 . 1 1 66 66 PRO HA H 252 4.243 4.243 4.302 -0.059 17911 4252 1 8 . 1 1 66 66 PRO CA C 252 66.036 66.036 65.181 0.855 17911 4253 1 8 . 1 1 66 66 PRO CB C 252 32.172 32.172 31.269 0.903 17911 4254 1 8 . 1 1 67 67 LEU N N 253 117.852 117.852 118.674 -0.822 17911 4255 1 8 . 1 1 67 67 LEU HA H 253 3.866 3.866 4.082 -0.216 17911 4256 1 8 . 1 1 67 67 LEU CA C 253 57.301 57.301 56.998 0.303 17911 4257 1 8 . 1 1 67 67 LEU CB C 253 40.539 40.539 41.105 -0.565 17911 4258 1 8 . 1 1 67 67 LEU H H 253 7.344 7.344 7.460 -0.116 17911 4259 1 8 . 1 1 68 68 SER N N 254 117.191 117.191 114.891 2.300 17911 4260 1 8 . 1 1 68 68 SER HA H 254 4.154 4.154 4.259 -0.105 17911 4261 1 8 . 1 1 68 68 SER CA C 254 60.705 60.705 61.038 -0.333 17911 4262 1 8 . 1 1 68 68 SER CB C 254 63.286 63.286 63.081 0.205 17911 4263 1 8 . 1 1 68 68 SER H H 254 7.883 7.883 8.197 -0.314 17911 4264 1 8 . 1 1 69 69 ALA N N 255 123.895 123.895 124.078 -0.183 17911 4265 1 8 . 1 1 69 69 ALA HA H 255 4.078 4.078 4.089 -0.011 17911 4266 1 8 . 1 1 69 69 ALA CA C 255 54.749 54.749 54.447 0.302 17911 4267 1 8 . 1 1 69 69 ALA CB C 255 17.992 17.992 18.262 -0.270 17911 4268 1 8 . 1 1 69 69 ALA H H 255 8.592 8.592 7.547 1.045 17911 4269 1 8 . 1 1 70 70 GLN N N 256 116.528 116.528 115.065 1.463 17911 4270 1 8 . 1 1 70 70 GLN HA H 256 4.011 4.011 4.183 -0.172 17911 4271 1 8 . 1 1 70 70 GLN CA C 256 58.634 58.634 57.927 0.707 17911 4272 1 8 . 1 1 70 70 GLN CB C 256 28.939 28.939 29.339 -0.400 17911 4273 1 8 . 1 1 70 70 GLN H H 256 7.744 7.744 7.993 -0.249 17911 4274 1 8 . 1 1 71 71 THR N N 257 103.056 103.056 106.930 -3.874 17911 4275 1 8 . 1 1 71 71 THR HA H 257 4.277 4.277 4.546 -0.269 17911 4276 1 8 . 1 1 71 71 THR CA C 257 62.236 62.236 61.647 0.589 17911 4277 1 8 . 1 1 71 71 THR CB C 257 72.277 72.277 71.175 1.101 17911 4278 1 8 . 1 1 71 71 THR H H 257 7.401 7.401 7.515 -0.114 17911 4279 1 8 . 1 1 72 72 GLY N N 258 111.697 111.697 112.260 -0.563 17911 4280 1 8 . 1 1 72 72 GLY CA C 258 45.900 45.900 45.830 0.070 17911 4281 1 8 . 1 1 72 72 GLY H H 258 8.113 8.113 8.387 -0.274 17911 4282 1 8 . 1 1 73 73 ILE N N 259 120.078 120.078 122.266 -2.188 17911 4283 1 8 . 1 1 73 73 ILE HA H 259 4.451 4.451 4.293 0.158 17911 4284 1 8 . 1 1 73 73 ILE CA C 259 58.903 58.903 60.071 -1.168 17911 4285 1 8 . 1 1 73 73 ILE CB C 259 38.497 38.497 38.912 -0.415 17911 4286 1 8 . 1 1 73 73 ILE H H 259 7.598 7.598 7.495 0.103 17911 4287 1 8 . 1 1 74 74 ALA N N 260 107.454 107.454 131.341 -23.887 17911 4288 1 8 . 1 1 74 74 ALA HA H 260 4.178 4.178 4.270 -0.092 17911 4289 1 8 . 1 1 74 74 ALA CA C 260 52.622 52.622 52.568 0.054 17911 4290 1 8 . 1 1 74 74 ALA CB C 260 18.417 18.417 19.429 -1.012 17911 4291 1 8 . 1 1 74 74 ALA H H 260 9.477 9.477 8.766 0.711 17911 4292 1 8 . 1 1 75 75 VAL N N 261 124.569 124.569 122.058 2.511 17911 4293 1 8 . 1 1 75 75 VAL HA H 261 4.095 4.095 3.914 0.181 17911 4294 1 8 . 1 1 75 75 VAL CA C 261 66.637 66.637 65.862 0.775 17911 4295 1 8 . 1 1 75 75 VAL CB C 261 31.575 31.575 31.508 0.067 17911 4296 1 8 . 1 1 75 75 VAL H H 261 8.927 8.927 8.761 0.166 17911 4297 1 8 . 1 1 76 76 LEU N N 262 117.285 117.285 118.434 -1.149 17911 4298 1 8 . 1 1 76 76 LEU HA H 262 3.827 3.827 4.035 -0.208 17911 4299 1 8 . 1 1 76 76 LEU CA C 262 58.067 58.067 57.127 0.940 17911 4300 1 8 . 1 1 76 76 LEU CB C 262 39.774 39.774 40.950 -1.176 17911 4301 1 8 . 1 1 76 76 LEU H H 262 8.949 8.949 8.056 0.893 17911 4302 1 8 . 1 1 77 77 ASP N N 263 120.854 120.854 121.779 -0.925 17911 4303 1 8 . 1 1 77 77 ASP HA H 263 4.639 4.639 4.678 -0.039 17911 4304 1 8 . 1 1 77 77 ASP CA C 263 57.131 57.131 56.905 0.226 17911 4305 1 8 . 1 1 77 77 ASP CB C 263 39.178 39.178 41.368 -2.190 17911 4306 1 8 . 1 1 77 77 ASP H H 263 7.011 7.011 7.897 -0.886 17911 4307 1 8 . 1 1 78 78 MET N N 264 124.661 124.661 120.560 4.101 17911 4308 1 8 . 1 1 78 78 MET HA H 264 4.343 4.343 4.115 0.228 17911 4309 1 8 . 1 1 78 78 MET CA C 264 57.131 57.131 57.652 -0.521 17911 4310 1 8 . 1 1 78 78 MET CB C 264 31.172 31.172 31.929 -0.757 17911 4311 1 8 . 1 1 78 78 MET H H 264 8.025 8.025 8.164 -0.139 17911 4312 1 8 . 1 1 79 79 CYS N N 265 117.740 117.740 118.274 -0.534 17911 4313 1 8 . 1 1 79 79 CYS HA H 265 3.534 3.534 3.699 -0.165 17911 4314 1 8 . 1 1 79 79 CYS CA C 265 64.317 64.317 63.486 0.831 17911 4315 1 8 . 1 1 79 79 CYS CB C 265 25.564 25.564 25.977 -0.413 17911 4316 1 8 . 1 1 79 79 CYS H H 265 8.703 8.703 8.505 0.198 17911 4317 1 8 . 1 1 80 80 ALA N N 266 123.346 123.346 121.640 1.706 17911 4318 1 8 . 1 1 80 80 ALA HA H 266 3.884 3.884 4.024 -0.140 17911 4319 1 8 . 1 1 80 80 ALA CA C 266 55.174 55.174 54.913 0.261 17911 4320 1 8 . 1 1 80 80 ALA CB C 266 17.911 17.911 18.053 -0.142 17911 4321 1 8 . 1 1 80 80 ALA H H 266 7.745 7.745 7.746 -0.001 17911 4322 1 8 . 1 1 81 81 ALA N N 267 122.668 122.668 123.020 -0.352 17911 4323 1 8 . 1 1 81 81 ALA HA H 267 4.236 4.236 4.333 -0.097 17911 4324 1 8 . 1 1 81 81 ALA CA C 267 54.778 54.778 54.804 -0.027 17911 4325 1 8 . 1 1 81 81 ALA CB C 267 18.247 18.247 18.562 -0.315 17911 4326 1 8 . 1 1 81 81 ALA H H 267 7.513 7.513 8.013 -0.500 17911 4327 1 8 . 1 1 82 82 LEU N N 268 119.844 119.844 120.119 -0.275 17911 4328 1 8 . 1 1 82 82 LEU HA H 268 3.924 3.924 3.930 -0.006 17911 4329 1 8 . 1 1 82 82 LEU CA C 268 57.613 57.613 57.504 0.109 17911 4330 1 8 . 1 1 82 82 LEU CB C 268 40.681 40.681 41.542 -0.861 17911 4331 1 8 . 1 1 82 82 LEU H H 268 8.304 8.304 8.328 -0.024 17911 4332 1 8 . 1 1 83 83 LYS N N 269 119.140 119.140 119.266 -0.126 17911 4333 1 8 . 1 1 83 83 LYS HA H 269 3.629 3.629 3.878 -0.249 17911 4334 1 8 . 1 1 83 83 LYS CA C 269 60.279 60.279 60.428 -0.149 17911 4335 1 8 . 1 1 83 83 LYS CB C 269 33.052 33.052 32.424 0.628 17911 4336 1 8 . 1 1 83 83 LYS H H 269 8.881 8.881 8.731 0.150 17911 4337 1 8 . 1 1 84 84 GLU N N 270 116.647 116.647 120.028 -3.381 17911 4338 1 8 . 1 1 84 84 GLU HA H 270 4.085 4.085 4.135 -0.050 17911 4339 1 8 . 1 1 84 84 GLU CA C 270 58.903 58.903 59.052 -0.149 17911 4340 1 8 . 1 1 84 84 GLU CB C 270 29.223 29.223 29.433 -0.210 17911 4341 1 8 . 1 1 84 84 GLU H H 270 7.107 7.107 7.654 -0.547 17911 4342 1 8 . 1 1 85 85 LEU N N 271 120.657 120.657 120.320 0.337 17911 4343 1 8 . 1 1 85 85 LEU HA H 271 3.992 3.992 3.966 0.026 17911 4344 1 8 . 1 1 85 85 LEU CA C 271 57.872 57.872 57.927 -0.055 17911 4345 1 8 . 1 1 85 85 LEU CB C 271 42.326 42.326 41.753 0.573 17911 4346 1 8 . 1 1 85 85 LEU H H 271 7.757 7.757 7.857 -0.100 17911 4347 1 8 . 1 1 86 86 LEU N N 272 119.651 119.651 117.276 2.375 17911 4348 1 8 . 1 1 86 86 LEU HA H 272 3.535 3.535 3.596 -0.061 17911 4349 1 8 . 1 1 86 86 LEU CA C 272 57.356 57.356 56.990 0.366 17911 4350 1 8 . 1 1 86 86 LEU CB C 272 40.880 40.880 41.396 -0.516 17911 4351 1 8 . 1 1 86 86 LEU H H 272 8.336 8.336 8.259 0.077 17911 4352 1 8 . 1 1 87 87 GLN N N 273 113.087 113.087 113.209 -0.122 17911 4353 1 8 . 1 1 87 87 GLN HA H 273 4.099 4.099 3.828 0.271 17911 4354 1 8 . 1 1 87 87 GLN CA C 273 58.387 58.387 57.576 0.811 17911 4355 1 8 . 1 1 87 87 GLN CB C 273 30.159 30.159 29.116 1.043 17911 4356 1 8 . 1 1 87 87 GLN H H 273 7.422 7.422 7.533 -0.111 17911 4357 1 8 . 1 1 88 88 ASN N N 274 113.925 113.925 114.398 -0.473 17911 4358 1 8 . 1 1 88 88 ASN HA H 274 4.921 4.921 4.751 0.170 17911 4359 1 8 . 1 1 88 88 ASN CA C 274 53.747 53.747 53.100 0.647 17911 4360 1 8 . 1 1 88 88 ASN CB C 274 40.625 40.625 41.541 -0.916 17911 4361 1 8 . 1 1 88 88 ASN H H 274 8.388 8.388 7.520 0.868 17911 4362 1 8 . 1 1 89 89 GLY N N 275 109.040 109.040 109.091 -0.051 17911 4363 1 8 . 1 1 89 89 GLY CA C 275 44.709 44.709 46.004 -1.295 17911 4364 1 8 . 1 1 89 89 GLY H H 275 7.698 7.698 8.502 -0.804 17911 4365 1 8 . 1 1 90 90 MET N N 276 115.183 115.183 117.120 -1.937 17911 4366 1 8 . 1 1 90 90 MET HA H 276 4.434 4.434 3.939 0.495 17911 4367 1 8 . 1 1 90 90 MET CA C 276 56.791 56.791 56.537 0.254 17911 4368 1 8 . 1 1 90 90 MET CB C 276 33.637 33.637 31.771 1.865 17911 4369 1 8 . 1 1 90 90 MET H H 276 8.599 8.599 8.237 0.362 17911 4370 1 8 . 1 1 91 91 ASN N N 277 118.020 118.020 118.943 -0.923 17911 4371 1 8 . 1 1 91 91 ASN HA H 277 4.301 4.301 4.522 -0.221 17911 4372 1 8 . 1 1 91 91 ASN CA C 277 53.983 53.983 55.436 -1.453 17911 4373 1 8 . 1 1 91 91 ASN CB C 277 37.987 37.987 38.549 -0.562 17911 4374 1 8 . 1 1 91 91 ASN H H 277 9.033 9.033 8.301 0.732 17911 4375 1 8 . 1 1 92 92 GLY N N 278 104.906 104.906 104.856 0.050 17911 4376 1 8 . 1 1 92 92 GLY CA C 278 45.645 45.645 44.977 0.668 17911 4377 1 8 . 1 1 92 92 GLY H H 278 8.538 8.538 8.592 -0.054 17911 4378 1 8 . 1 1 93 93 ARG N N 279 120.056 120.056 119.805 0.251 17911 4379 1 8 . 1 1 93 93 ARG HA H 279 4.237 4.237 4.615 -0.378 17911 4380 1 8 . 1 1 93 93 ARG CA C 279 55.344 55.344 53.680 1.664 17911 4381 1 8 . 1 1 93 93 ARG CB C 279 31.491 31.491 33.611 -2.120 17911 4382 1 8 . 1 1 93 93 ARG H H 279 7.257 7.257 7.835 -0.578 17911 4383 1 8 . 1 1 94 94 THR N N 280 106.223 106.223 111.267 -5.044 17911 4384 1 8 . 1 1 94 94 THR HA H 280 5.028 5.028 5.383 -0.355 17911 4385 1 8 . 1 1 94 94 THR CA C 280 59.684 59.684 60.629 -0.945 17911 4386 1 8 . 1 1 94 94 THR CB C 280 72.787 72.787 71.817 0.970 17911 4387 1 8 . 1 1 94 94 THR H H 280 7.726 7.726 8.185 -0.459 17911 4388 1 8 . 1 1 95 95 ILE N N 281 121.214 121.214 121.137 0.077 17911 4389 1 8 . 1 1 95 95 ILE HA H 281 4.301 4.301 4.626 -0.325 17911 4390 1 8 . 1 1 95 95 ILE CA C 281 62.066 62.066 60.593 1.473 17911 4391 1 8 . 1 1 95 95 ILE CB C 281 40.539 40.539 41.925 -1.387 17911 4392 1 8 . 1 1 95 95 ILE H H 281 8.761 8.761 9.069 -0.308 17911 4393 1 8 . 1 1 96 96 LEU N N 282 128.347 128.347 125.667 2.680 17911 4394 1 8 . 1 1 96 96 LEU HA H 282 3.850 3.850 3.921 -0.071 17911 4395 1 8 . 1 1 96 96 LEU CA C 282 55.344 55.344 55.856 -0.512 17911 4396 1 8 . 1 1 96 96 LEU CB C 282 40.539 40.539 39.649 0.890 17911 4397 1 8 . 1 1 96 96 LEU H H 282 9.905 9.905 9.583 0.322 17911 4398 1 8 . 1 1 97 97 GLY N N 283 103.322 103.322 103.330 -0.008 17911 4399 1 8 . 1 1 97 97 GLY CA C 283 45.645 45.645 44.809 0.836 17911 4400 1 8 . 1 1 97 97 GLY H H 283 8.937 8.937 8.526 0.411 17911 4401 1 8 . 1 1 98 98 SER N N 284 116.619 116.619 115.597 1.022 17911 4402 1 8 . 1 1 98 98 SER HA H 284 4.950 4.950 5.016 -0.066 17911 4403 1 8 . 1 1 98 98 SER CA C 284 56.961 56.961 56.015 0.946 17911 4404 1 8 . 1 1 98 98 SER CB C 284 65.044 65.044 64.962 0.082 17911 4405 1 8 . 1 1 98 98 SER H H 284 8.612 8.612 8.040 0.572 17911 4406 1 8 . 1 1 99 99 THR N N 285 114.513 114.513 117.534 -3.021 17911 4407 1 8 . 1 1 99 99 THR HA H 285 4.598 4.598 4.585 0.013 17911 4408 1 8 . 1 1 99 99 THR CA C 285 61.739 61.739 62.635 -0.896 17911 4409 1 8 . 1 1 99 99 THR CB C 285 69.214 69.214 68.725 0.489 17911 4410 1 8 . 1 1 99 99 THR H H 285 8.601 8.601 8.709 -0.108 17911 4411 1 8 . 1 1 100 100 ILE N N 286 117.511 117.511 115.452 2.059 17911 4412 1 8 . 1 1 100 100 ILE HA H 286 4.496 4.496 4.677 -0.181 17911 4413 1 8 . 1 1 100 100 ILE CA C 286 59.173 59.173 59.204 -0.031 17911 4414 1 8 . 1 1 100 100 ILE CB C 286 41.887 41.887 40.857 1.030 17911 4415 1 8 . 1 1 100 100 ILE H H 286 7.931 7.931 7.452 0.479 17911 4416 1 8 . 1 1 101 101 LEU N N 287 121.101 121.101 117.212 3.889 17911 4417 1 8 . 1 1 101 101 LEU HA H 287 4.157 4.157 4.420 -0.263 17911 4418 1 8 . 1 1 101 101 LEU CA C 287 54.520 54.520 53.311 1.209 17911 4419 1 8 . 1 1 101 101 LEU CB C 287 40.083 40.083 44.535 -4.452 17911 4420 1 8 . 1 1 101 101 LEU H H 287 8.025 8.025 8.054 -0.029 17911 4421 1 8 . 1 1 102 102 GLU HA H 288 3.720 3.720 4.259 -0.539 17911 4422 1 8 . 1 1 102 102 GLU CA C 288 55.770 55.770 54.865 0.904 17911 4423 1 8 . 1 1 102 102 GLU CB C 288 29.904 29.904 32.786 -2.882 17911 4424 1 8 . 1 1 103 103 ASP N N 289 121.287 121.287 118.083 3.204 17911 4425 1 8 . 1 1 103 103 ASP HA H 289 4.513 4.513 4.612 -0.100 17911 4426 1 8 . 1 1 103 103 ASP CA C 289 52.281 52.281 53.627 -1.346 17911 4427 1 8 . 1 1 103 103 ASP CB C 289 42.922 42.922 41.280 1.642 17911 4428 1 8 . 1 1 103 103 ASP H H 289 8.014 8.014 8.467 -0.453 17911 4429 1 8 . 1 1 104 104 GLU N N 290 118.245 118.245 119.757 -1.512 17911 4430 1 8 . 1 1 104 104 GLU HA H 290 3.904 3.904 4.113 -0.209 17911 4431 1 8 . 1 1 104 104 GLU CA C 290 57.614 57.614 57.345 0.269 17911 4432 1 8 . 1 1 104 104 GLU CB C 290 30.499 30.499 29.470 1.029 17911 4433 1 8 . 1 1 104 104 GLU H H 290 7.432 7.432 8.592 -1.160 17911 4434 1 8 . 1 1 105 105 PHE N N 291 120.606 120.606 119.724 0.882 17911 4435 1 8 . 1 1 105 105 PHE HA H 291 4.838 4.838 4.409 0.429 17911 4436 1 8 . 1 1 105 105 PHE CA C 291 56.536 56.536 58.245 -1.709 17911 4437 1 8 . 1 1 105 105 PHE CB C 291 39.774 39.774 39.147 0.627 17911 4438 1 8 . 1 1 105 105 PHE H H 291 8.835 8.835 7.922 0.913 17911 4439 1 8 . 1 1 106 106 THR N N 292 111.349 111.349 117.205 -5.856 17911 4440 1 8 . 1 1 106 106 THR HA H 292 4.670 4.670 4.411 0.259 17911 4441 1 8 . 1 1 106 106 THR CA C 292 59.344 59.344 60.159 -0.815 17911 4442 1 8 . 1 1 106 106 THR CB C 292 69.299 69.299 68.684 0.615 17911 4443 1 8 . 1 1 106 106 THR H H 292 8.757 8.757 8.166 0.591 17911 4444 1 8 . 1 1 107 107 PRO HA H 293 3.988 3.988 4.446 -0.458 17911 4445 1 8 . 1 1 107 107 PRO CA C 293 65.606 65.606 62.851 2.755 17911 4446 1 8 . 1 1 107 107 PRO CB C 293 31.321 31.321 32.148 -0.827 17911 4447 1 8 . 1 1 108 108 PHE N N 294 114.627 114.627 111.531 3.096 17911 4448 1 8 . 1 1 108 108 PHE HA H 294 4.201 4.201 4.093 0.108 17911 4449 1 8 . 1 1 108 108 PHE CA C 294 59.676 59.676 58.191 1.485 17911 4450 1 8 . 1 1 108 108 PHE CB C 294 38.582 38.582 36.779 1.803 17911 4451 1 8 . 1 1 108 108 PHE H H 294 7.310 7.310 8.772 -1.462 17911 4452 1 8 . 1 1 109 109 ASP N N 295 120.210 120.210 119.659 0.551 17911 4453 1 8 . 1 1 109 109 ASP HA H 295 4.404 4.404 4.540 -0.136 17911 4454 1 8 . 1 1 109 109 ASP CA C 295 57.098 57.098 55.440 1.658 17911 4455 1 8 . 1 1 109 109 ASP CB C 295 41.475 41.475 41.283 0.192 17911 4456 1 8 . 1 1 109 109 ASP H H 295 7.837 7.837 8.059 -0.222 17911 4457 1 8 . 1 1 110 110 VAL N N 296 119.070 119.070 116.662 2.408 17911 4458 1 8 . 1 1 110 110 VAL HA H 296 3.602 3.602 4.340 -0.738 17911 4459 1 8 . 1 1 110 110 VAL CA C 296 66.491 66.491 61.546 4.945 17911 4460 1 8 . 1 1 110 110 VAL CB C 296 31.605 31.605 31.225 0.380 17911 4461 1 8 . 1 1 110 110 VAL H H 296 7.945 7.945 7.829 0.116 17911 4462 1 8 . 1 1 111 111 VAL N N 297 119.540 119.540 116.307 3.233 17911 4463 1 8 . 1 1 111 111 VAL HA H 297 3.601 3.601 4.477 -0.876 17911 4464 1 8 . 1 1 111 111 VAL CA C 297 66.379 66.379 61.593 4.785 17911 4465 1 8 . 1 1 111 111 VAL CB C 297 31.605 31.605 30.297 1.308 17911 4466 1 8 . 1 1 111 111 VAL H H 297 8.109 8.109 7.346 0.763 17911 4467 1 8 . 1 1 112 112 ARG N N 298 119.680 119.680 123.036 -3.356 17911 4468 1 8 . 1 1 112 112 ARG HA H 298 4.010 4.010 4.151 -0.141 17911 4469 1 8 . 1 1 112 112 ARG CA C 298 58.634 58.634 55.466 3.168 17911 4470 1 8 . 1 1 112 112 ARG CB C 298 30.028 30.028 27.435 2.593 17911 4471 1 8 . 1 1 112 112 ARG H H 298 7.710 7.710 7.305 0.405 17911 4472 1 8 . 1 1 113 113 GLN N N 299 117.786 117.786 114.674 3.112 17911 4473 1 8 . 1 1 113 113 GLN HA H 299 4.158 4.158 3.945 0.213 17911 4474 1 8 . 1 1 113 113 GLN CA C 299 57.557 57.557 57.086 0.471 17911 4475 1 8 . 1 1 113 113 GLN CB C 299 29.308 29.308 26.477 2.831 17911 4476 1 8 . 1 1 113 113 GLN H H 299 8.033 8.033 8.146 -0.113 17911 4477 1 8 . 1 1 114 114 CYS N N 300 115.786 115.786 116.800 -1.014 17911 4478 1 8 . 1 1 114 114 CYS HA H 300 4.470 4.470 4.637 -0.167 17911 4479 1 8 . 1 1 114 114 CYS CA C 300 59.934 59.934 56.269 3.665 17911 4480 1 8 . 1 1 114 114 CYS CB C 300 28.293 28.293 29.586 -1.293 17911 4481 1 8 . 1 1 114 114 CYS H H 300 8.071 8.071 7.848 0.223 17911 4482 1 8 . 1 1 115 115 SER N N 301 116.258 116.258 114.694 1.564 17911 4483 1 8 . 1 1 115 115 SER HA H 301 4.407 4.407 4.274 0.133 17911 4484 1 8 . 1 1 115 115 SER CA C 301 59.485 59.485 60.104 -0.619 17911 4485 1 8 . 1 1 115 115 SER CB C 301 63.286 63.286 63.710 -0.424 17911 4486 1 8 . 1 1 115 115 SER H H 301 7.883 7.883 8.481 -0.598 17911 4487 1 8 . 1 1 116 116 GLY N N 302 110.709 110.709 107.432 3.277 17911 4488 1 8 . 1 1 116 116 GLY CA C 302 45.239 45.239 45.129 0.110 17911 4489 1 8 . 1 1 116 116 GLY H H 302 8.355 8.355 7.739 0.616 17911 4490 1 8 . 1 1 117 117 VAL N N 303 119.189 119.189 121.585 -2.396 17911 4491 1 8 . 1 1 117 117 VAL HA H 303 4.057 4.057 3.873 0.184 17911 4492 1 8 . 1 1 117 117 VAL CA C 303 62.236 62.236 65.231 -2.995 17911 4493 1 8 . 1 1 117 117 VAL CB C 303 32.626 32.626 31.914 0.712 17911 4494 1 8 . 1 1 117 117 VAL H H 303 7.710 7.710 8.173 -0.463 17911 4495 1 8 . 1 1 118 118 THR N N 304 118.009 118.009 112.704 5.305 17911 4496 1 8 . 1 1 118 118 THR HA H 304 4.279 4.279 3.933 0.346 17911 4497 1 8 . 1 1 118 118 THR CA C 304 61.556 61.556 64.582 -3.026 17911 4498 1 8 . 1 1 118 118 THR CB C 304 69.894 69.894 68.590 1.304 17911 4499 1 8 . 1 1 118 118 THR H H 304 8.109 8.109 8.167 -0.058 17911 4500 1 8 . 1 1 119 119 PHE N N 305 123.287 123.287 119.557 3.730 17911 4501 1 8 . 1 1 119 119 PHE HA H 305 4.605 4.605 4.880 -0.275 17911 4502 1 8 . 1 1 119 119 PHE CA C 305 57.727 57.727 58.690 -0.963 17911 4503 1 8 . 1 1 119 119 PHE CB C 305 39.859 39.859 41.294 -1.435 17911 4504 1 8 . 1 1 119 119 PHE H H 305 8.298 8.298 8.202 0.096 17911 4505 1 9 . 1 1 2 2 ARG N N 188 121.886 121.886 120.539 1.347 17911 4506 1 9 . 1 1 2 2 ARG HA H 188 4.242 4.242 4.033 0.209 17911 4507 1 9 . 1 1 2 2 ARG CA C 188 56.487 56.487 59.114 -2.627 17911 4508 1 9 . 1 1 2 2 ARG CB C 188 30.857 30.857 30.153 0.704 17911 4509 1 9 . 1 1 2 2 ARG H H 188 8.475 8.475 8.548 -0.073 17911 4510 1 9 . 1 1 3 3 GLN N N 189 121.336 121.336 117.104 4.232 17911 4511 1 9 . 1 1 3 3 GLN HA H 189 4.302 4.302 4.230 0.072 17911 4512 1 9 . 1 1 3 3 GLN CA C 189 56.366 56.366 57.774 -1.408 17911 4513 1 9 . 1 1 3 3 GLN CB C 189 29.254 29.254 28.232 1.022 17911 4514 1 9 . 1 1 3 3 GLN H H 189 8.553 8.553 8.512 0.041 17911 4515 1 9 . 1 1 4 4 THR N N 190 115.273 115.273 108.339 6.934 17911 4516 1 9 . 1 1 4 4 THR HA H 190 4.275 4.275 4.581 -0.306 17911 4517 1 9 . 1 1 4 4 THR CA C 190 62.066 62.066 61.434 0.632 17911 4518 1 9 . 1 1 4 4 THR CB C 190 69.894 69.894 70.615 -0.721 17911 4519 1 9 . 1 1 4 4 THR H H 190 8.123 8.123 7.754 0.369 17911 4520 1 9 . 1 1 5 5 ALA N N 191 126.029 126.029 124.015 2.014 17911 4521 1 9 . 1 1 5 5 ALA HA H 191 4.247 4.247 4.223 0.024 17911 4522 1 9 . 1 1 5 5 ALA CA C 191 52.537 52.537 53.204 -0.667 17911 4523 1 9 . 1 1 5 5 ALA CB C 191 19.183 19.183 18.778 0.405 17911 4524 1 9 . 1 1 5 5 ALA H H 191 8.284 8.284 8.107 0.177 17911 4525 1 9 . 1 1 6 6 GLN N N 192 119.614 119.614 118.413 1.201 17911 4526 1 9 . 1 1 6 6 GLN HA H 192 4.217 4.217 4.149 0.068 17911 4527 1 9 . 1 1 6 6 GLN CA C 192 55.685 55.685 56.005 -0.320 17911 4528 1 9 . 1 1 6 6 GLN CB C 192 29.513 29.513 29.137 0.376 17911 4529 1 9 . 1 1 6 6 GLN H H 192 8.287 8.287 8.114 0.173 17911 4530 1 9 . 1 1 7 7 ALA N N 193 125.571 125.571 126.937 -1.366 17911 4531 1 9 . 1 1 7 7 ALA HA H 193 4.246 4.246 4.485 -0.239 17911 4532 1 9 . 1 1 7 7 ALA CA C 193 52.537 52.537 51.882 0.655 17911 4533 1 9 . 1 1 7 7 ALA CB C 193 19.268 19.268 19.576 -0.308 17911 4534 1 9 . 1 1 7 7 ALA H H 193 8.271 8.271 8.568 -0.297 17911 4535 1 9 . 1 1 8 8 ALA N N 194 123.461 123.461 123.862 -0.401 17911 4536 1 9 . 1 1 8 8 ALA HA H 194 4.250 4.250 4.083 0.167 17911 4537 1 9 . 1 1 8 8 ALA CA C 194 52.593 52.593 54.110 -1.517 17911 4538 1 9 . 1 1 8 8 ALA CB C 194 19.324 19.324 18.201 1.123 17911 4539 1 9 . 1 1 8 8 ALA H H 194 8.275 8.275 8.473 -0.198 17911 4540 1 9 . 1 1 9 9 GLY N N 195 108.312 108.312 103.790 4.522 17911 4541 1 9 . 1 1 9 9 GLY CA C 195 45.219 45.219 46.192 -0.973 17911 4542 1 9 . 1 1 9 9 GLY H H 195 8.328 8.328 8.200 0.128 17911 4543 1 9 . 1 1 10 10 THR N N 196 112.710 112.710 109.074 3.636 17911 4544 1 9 . 1 1 10 10 THR HA H 196 4.334 4.334 4.489 -0.155 17911 4545 1 9 . 1 1 10 10 THR CA C 196 61.471 61.471 61.463 0.008 17911 4546 1 9 . 1 1 10 10 THR CB C 196 69.894 69.894 70.573 -0.679 17911 4547 1 9 . 1 1 10 10 THR H H 196 7.998 7.998 7.676 0.322 17911 4548 1 9 . 1 1 11 11 ASP N N 197 122.862 122.862 123.870 -1.008 17911 4549 1 9 . 1 1 11 11 ASP HA H 197 4.609 4.609 4.477 0.132 17911 4550 1 9 . 1 1 11 11 ASP CA C 197 54.262 54.262 55.376 -1.113 17911 4551 1 9 . 1 1 11 11 ASP CB C 197 41.135 41.135 41.101 0.034 17911 4552 1 9 . 1 1 11 11 ASP H H 197 8.404 8.404 8.068 0.336 17911 4553 1 9 . 1 1 12 12 THR N N 198 114.709 114.709 108.605 6.104 17911 4554 1 9 . 1 1 12 12 THR HA H 198 4.400 4.400 4.062 0.338 17911 4555 1 9 . 1 1 12 12 THR CA C 198 61.223 61.223 62.348 -1.125 17911 4556 1 9 . 1 1 12 12 THR CB C 198 70.490 70.490 68.773 1.717 17911 4557 1 9 . 1 1 12 12 THR H H 198 7.895 7.895 7.481 0.414 17911 4558 1 9 . 1 1 13 13 THR N N 199 122.785 122.785 117.384 5.401 17911 4559 1 9 . 1 1 13 13 THR HA H 199 3.961 3.961 4.152 -0.191 17911 4560 1 9 . 1 1 13 13 THR CA C 199 63.286 63.286 63.587 -0.301 17911 4561 1 9 . 1 1 13 13 THR CB C 199 68.958 68.958 68.976 -0.018 17911 4562 1 9 . 1 1 13 13 THR H H 199 8.354 8.354 8.128 0.226 17911 4563 1 9 . 1 1 14 14 ILE N N 200 127.902 127.902 129.372 -1.470 17911 4564 1 9 . 1 1 14 14 ILE HA H 200 3.807 3.807 4.230 -0.423 17911 4565 1 9 . 1 1 14 14 ILE CA C 200 60.965 60.965 61.442 -0.477 17911 4566 1 9 . 1 1 14 14 ILE CB C 200 35.860 35.860 35.629 0.231 17911 4567 1 9 . 1 1 14 14 ILE H H 200 9.362 9.362 9.149 0.213 17911 4568 1 9 . 1 1 15 15 THR N N 201 130.379 130.379 123.790 6.589 17911 4569 1 9 . 1 1 15 15 THR HA H 201 3.521 3.521 3.978 -0.457 17911 4570 1 9 . 1 1 15 15 THR CA C 201 66.637 66.637 66.855 -0.218 17911 4571 1 9 . 1 1 15 15 THR CB C 201 67.411 67.411 68.713 -1.302 17911 4572 1 9 . 1 1 15 15 THR H H 201 7.834 7.834 8.087 -0.253 17911 4573 1 9 . 1 1 16 16 LEU N N 202 120.049 120.049 121.370 -1.321 17911 4574 1 9 . 1 1 16 16 LEU HA H 202 3.715 3.715 4.066 -0.351 17911 4575 1 9 . 1 1 16 16 LEU CA C 202 58.387 58.387 58.739 -0.352 17911 4576 1 9 . 1 1 16 16 LEU CB C 202 43.148 43.148 41.631 1.517 17911 4577 1 9 . 1 1 16 16 LEU H H 202 8.913 8.913 8.491 0.422 17911 4578 1 9 . 1 1 17 17 ASN N N 203 117.390 117.390 117.546 -0.156 17911 4579 1 9 . 1 1 17 17 ASN HA H 203 4.594 4.594 4.610 -0.016 17911 4580 1 9 . 1 1 17 17 ASN CA C 203 54.520 54.520 56.123 -1.603 17911 4581 1 9 . 1 1 17 17 ASN CB C 203 37.246 37.246 38.133 -0.887 17911 4582 1 9 . 1 1 17 17 ASN H H 203 6.926 6.926 7.905 -0.979 17911 4583 1 9 . 1 1 18 18 VAL N N 204 123.434 123.434 122.180 1.254 17911 4584 1 9 . 1 1 18 18 VAL HA H 204 4.242 4.242 3.937 0.305 17911 4585 1 9 . 1 1 18 18 VAL CA C 204 66.236 66.236 66.678 -0.442 17911 4586 1 9 . 1 1 18 18 VAL CB C 204 31.605 31.605 31.839 -0.234 17911 4587 1 9 . 1 1 18 18 VAL H H 204 7.660 7.660 7.875 -0.215 17911 4588 1 9 . 1 1 19 19 LEU N N 205 117.301 117.301 120.138 -2.837 17911 4589 1 9 . 1 1 19 19 LEU HA H 205 3.945 3.945 3.929 0.016 17911 4590 1 9 . 1 1 19 19 LEU CA C 205 58.408 58.408 58.283 0.125 17911 4591 1 9 . 1 1 19 19 LEU CB C 205 42.918 42.918 41.276 1.641 17911 4592 1 9 . 1 1 19 19 LEU H H 205 8.573 8.573 8.568 0.005 17911 4593 1 9 . 1 1 20 20 ALA N N 206 120.290 120.290 122.056 -1.766 17911 4594 1 9 . 1 1 20 20 ALA HA H 206 4.012 4.012 4.256 -0.244 17911 4595 1 9 . 1 1 20 20 ALA CA C 206 56.195 56.195 55.270 0.925 17911 4596 1 9 . 1 1 20 20 ALA CB C 206 17.911 17.911 18.195 -0.284 17911 4597 1 9 . 1 1 20 20 ALA H H 206 8.188 8.188 8.455 -0.267 17911 4598 1 9 . 1 1 21 21 TRP N N 207 121.219 121.219 120.961 0.258 17911 4599 1 9 . 1 1 21 21 TRP HA H 207 4.110 4.110 4.282 -0.172 17911 4600 1 9 . 1 1 21 21 TRP CA C 207 61.224 61.224 62.320 -1.096 17911 4601 1 9 . 1 1 21 21 TRP CB C 207 28.712 28.712 29.502 -0.790 17911 4602 1 9 . 1 1 21 21 TRP H H 207 8.406 8.406 8.556 -0.150 17911 4603 1 9 . 1 1 22 22 LEU HA H 208 3.517 3.517 3.693 -0.176 17911 4604 1 9 . 1 1 22 22 LEU CA C 208 57.897 57.897 58.027 -0.130 17911 4605 1 9 . 1 1 22 22 LEU CB C 208 40.880 40.880 41.292 -0.412 17911 4606 1 9 . 1 1 22 22 LEU H H 208 8.620 8.620 8.735 -0.115 17911 4607 1 9 . 1 1 23 23 TYR N N 209 117.656 117.656 118.866 -1.210 17911 4608 1 9 . 1 1 23 23 TYR HA H 209 3.956 3.956 4.104 -0.148 17911 4609 1 9 . 1 1 23 23 TYR CA C 209 64.704 64.704 61.986 2.719 17911 4610 1 9 . 1 1 23 23 TYR CB C 209 38.793 38.793 37.416 1.377 17911 4611 1 9 . 1 1 23 23 TYR H H 209 8.368 8.368 8.539 -0.171 17911 4612 1 9 . 1 1 24 24 ALA N N 210 122.658 122.658 121.493 1.165 17911 4613 1 9 . 1 1 24 24 ALA HA H 210 3.837 3.837 3.874 -0.037 17911 4614 1 9 . 1 1 24 24 ALA CA C 210 55.036 55.036 54.768 0.268 17911 4615 1 9 . 1 1 24 24 ALA CB C 210 17.311 17.311 17.927 -0.616 17911 4616 1 9 . 1 1 24 24 ALA H H 210 8.461 8.461 8.300 0.161 17911 4617 1 9 . 1 1 25 25 ALA N N 211 123.868 123.868 121.664 2.204 17911 4618 1 9 . 1 1 25 25 ALA HA H 211 3.761 3.761 3.809 -0.048 17911 4619 1 9 . 1 1 25 25 ALA CA C 211 55.551 55.551 54.783 0.768 17911 4620 1 9 . 1 1 25 25 ALA CB C 211 17.992 17.992 18.177 -0.185 17911 4621 1 9 . 1 1 25 25 ALA H H 211 8.564 8.564 7.795 0.769 17911 4622 1 9 . 1 1 26 26 VAL N N 212 119.783 119.783 119.212 0.571 17911 4623 1 9 . 1 1 26 26 VAL HA H 212 3.487 3.487 3.393 0.094 17911 4624 1 9 . 1 1 26 26 VAL CA C 212 66.576 66.576 66.465 0.111 17911 4625 1 9 . 1 1 26 26 VAL CB C 212 31.575 31.575 31.126 0.449 17911 4626 1 9 . 1 1 26 26 VAL H H 212 8.008 8.008 8.265 -0.257 17911 4627 1 9 . 1 1 27 27 ILE N N 213 124.428 124.428 118.372 6.056 17911 4628 1 9 . 1 1 27 27 ILE HA H 213 3.559 3.559 3.688 -0.129 17911 4629 1 9 . 1 1 27 27 ILE CA C 213 65.526 65.526 64.465 1.061 17911 4630 1 9 . 1 1 27 27 ILE CB C 213 37.902 37.902 37.767 0.135 17911 4631 1 9 . 1 1 27 27 ILE H H 213 8.576 8.576 8.150 0.426 17911 4632 1 9 . 1 1 28 28 ASN N N 214 116.563 116.563 116.218 0.345 17911 4633 1 9 . 1 1 28 28 ASN HA H 214 4.565 4.565 4.566 -0.001 17911 4634 1 9 . 1 1 28 28 ASN CA C 214 54.579 54.579 54.895 -0.317 17911 4635 1 9 . 1 1 28 28 ASN CB C 214 40.340 40.340 39.984 0.356 17911 4636 1 9 . 1 1 28 28 ASN H H 214 7.714 7.714 8.193 -0.479 17911 4637 1 9 . 1 1 29 29 GLY N N 215 107.004 107.004 106.140 0.864 17911 4638 1 9 . 1 1 29 29 GLY CA C 215 45.683 45.683 44.904 0.779 17911 4639 1 9 . 1 1 29 29 GLY H H 215 7.861 7.861 8.305 -0.444 17911 4640 1 9 . 1 1 30 30 ASP N N 216 125.780 125.780 123.724 2.056 17911 4641 1 9 . 1 1 30 30 ASP HA H 216 5.019 5.019 4.672 0.347 17911 4642 1 9 . 1 1 30 30 ASP CA C 216 53.643 53.643 54.011 -0.367 17911 4643 1 9 . 1 1 30 30 ASP CB C 216 41.561 41.561 40.031 1.530 17911 4644 1 9 . 1 1 30 30 ASP H H 216 8.560 8.560 8.130 0.430 17911 4645 1 9 . 1 1 31 31 ARG N N 217 115.297 115.297 119.383 -4.086 17911 4646 1 9 . 1 1 31 31 ARG HA H 217 3.711 3.711 2.968 0.743 17911 4647 1 9 . 1 1 31 31 ARG CA C 217 54.520 54.520 56.781 -2.261 17911 4648 1 9 . 1 1 31 31 ARG CB C 217 32.116 32.116 28.097 4.019 17911 4649 1 9 . 1 1 31 31 ARG H H 217 7.984 7.984 7.482 0.502 17911 4650 1 9 . 1 1 32 32 TRP N N 218 119.754 119.754 117.762 1.992 17911 4651 1 9 . 1 1 32 32 TRP HA H 218 4.120 4.120 4.333 -0.213 17911 4652 1 9 . 1 1 32 32 TRP CA C 218 58.387 58.387 58.153 0.234 17911 4653 1 9 . 1 1 32 32 TRP CB C 218 28.372 28.372 27.909 0.463 17911 4654 1 9 . 1 1 32 32 TRP H H 218 7.368 7.368 6.399 0.969 17911 4655 1 9 . 1 1 33 33 PHE HA H 219 3.919 3.919 4.537 -0.618 17911 4656 1 9 . 1 1 33 33 PHE CA C 219 55.315 55.315 57.198 -1.883 17911 4657 1 9 . 1 1 33 33 PHE CB C 219 37.277 37.277 37.936 -0.659 17911 4658 1 9 . 1 1 34 34 LEU N N 220 122.632 122.632 121.443 1.189 17911 4659 1 9 . 1 1 34 34 LEU HA H 220 3.931 3.931 4.060 -0.129 17911 4660 1 9 . 1 1 34 34 LEU CA C 220 55.315 55.315 55.416 -0.101 17911 4661 1 9 . 1 1 34 34 LEU CB C 220 40.790 40.790 41.721 -0.931 17911 4662 1 9 . 1 1 34 34 LEU H H 220 6.447 6.447 7.115 -0.668 17911 4663 1 9 . 1 1 35 35 ASN N N 221 119.503 119.503 119.170 0.333 17911 4664 1 9 . 1 1 35 35 ASN HA H 221 4.709 4.709 4.487 0.222 17911 4665 1 9 . 1 1 35 35 ASN CA C 221 52.026 52.026 51.698 0.328 17911 4666 1 9 . 1 1 35 35 ASN CB C 221 40.598 40.598 39.694 0.904 17911 4667 1 9 . 1 1 35 35 ASN H H 221 8.105 8.105 8.607 -0.502 17911 4668 1 9 . 1 1 36 36 ARG N N 222 116.408 116.408 115.593 0.815 17911 4669 1 9 . 1 1 36 36 ARG HA H 222 4.293 4.293 3.997 0.296 17911 4670 1 9 . 1 1 36 36 ARG CA C 222 55.600 55.600 57.619 -2.019 17911 4671 1 9 . 1 1 36 36 ARG CB C 222 28.997 28.997 27.874 1.123 17911 4672 1 9 . 1 1 36 36 ARG H H 222 8.099 8.099 8.230 -0.131 17911 4673 1 9 . 1 1 37 37 PHE N N 223 120.398 120.398 118.372 2.026 17911 4674 1 9 . 1 1 37 37 PHE HA H 223 4.813 4.813 4.613 0.200 17911 4675 1 9 . 1 1 37 37 PHE CA C 223 56.081 56.081 56.387 -0.306 17911 4676 1 9 . 1 1 37 37 PHE CB C 223 40.085 40.085 39.679 0.406 17911 4677 1 9 . 1 1 37 37 PHE H H 223 7.842 7.842 7.745 0.097 17911 4678 1 9 . 1 1 38 38 THR N N 224 112.040 112.040 111.917 0.123 17911 4679 1 9 . 1 1 38 38 THR HA H 224 4.653 4.653 4.826 -0.173 17911 4680 1 9 . 1 1 38 38 THR CA C 224 60.708 60.708 60.049 0.659 17911 4681 1 9 . 1 1 38 38 THR CB C 224 71.000 71.000 69.980 1.020 17911 4682 1 9 . 1 1 38 38 THR H H 224 8.231 8.231 8.341 -0.110 17911 4683 1 9 . 1 1 39 39 THR N N 225 116.627 116.627 114.214 2.413 17911 4684 1 9 . 1 1 39 39 THR HA H 225 4.925 4.925 4.704 0.221 17911 4685 1 9 . 1 1 39 39 THR CA C 225 59.677 59.677 60.206 -0.529 17911 4686 1 9 . 1 1 39 39 THR CB C 225 69.989 69.989 70.356 -0.367 17911 4687 1 9 . 1 1 39 39 THR H H 225 8.107 8.107 8.208 -0.101 17911 4688 1 9 . 1 1 40 40 THR N N 226 111.263 111.263 116.491 -5.228 17911 4689 1 9 . 1 1 40 40 THR HA H 226 4.727 4.727 4.505 0.222 17911 4690 1 9 . 1 1 40 40 THR CA C 226 59.740 59.740 61.224 -1.484 17911 4691 1 9 . 1 1 40 40 THR CB C 226 72.052 72.052 70.104 1.948 17911 4692 1 9 . 1 1 40 40 THR H H 226 8.481 8.481 8.271 0.210 17911 4693 1 9 . 1 1 41 41 LEU N N 227 123.989 123.989 124.493 -0.504 17911 4694 1 9 . 1 1 41 41 LEU HA H 227 3.986 3.986 4.158 -0.172 17911 4695 1 9 . 1 1 41 41 LEU CA C 227 58.903 58.903 58.201 0.702 17911 4696 1 9 . 1 1 41 41 LEU CB C 227 41.561 41.561 41.945 -0.384 17911 4697 1 9 . 1 1 41 41 LEU H H 227 9.259 9.259 8.847 0.412 17911 4698 1 9 . 1 1 42 42 ASN N N 228 115.183 115.183 116.808 -1.625 17911 4699 1 9 . 1 1 42 42 ASN HA H 228 4.435 4.435 4.425 0.010 17911 4700 1 9 . 1 1 42 42 ASN CA C 228 56.961 56.961 57.733 -0.772 17911 4701 1 9 . 1 1 42 42 ASN CB C 228 38.497 38.497 37.834 0.664 17911 4702 1 9 . 1 1 42 42 ASN H H 228 8.598 8.598 8.485 0.113 17911 4703 1 9 . 1 1 43 43 ASP N N 229 118.746 118.746 120.400 -1.654 17911 4704 1 9 . 1 1 43 43 ASP HA H 229 4.367 4.367 4.449 -0.082 17911 4705 1 9 . 1 1 43 43 ASP CA C 229 57.387 57.387 57.160 0.227 17911 4706 1 9 . 1 1 43 43 ASP CB C 229 40.625 40.625 40.956 -0.331 17911 4707 1 9 . 1 1 43 43 ASP H H 229 7.847 7.847 7.910 -0.063 17911 4708 1 9 . 1 1 44 44 PHE N N 230 120.193 120.193 121.088 -0.895 17911 4709 1 9 . 1 1 44 44 PHE HA H 230 3.808 3.808 4.118 -0.310 17911 4710 1 9 . 1 1 44 44 PHE CA C 230 62.747 62.747 61.749 0.998 17911 4711 1 9 . 1 1 44 44 PHE CB C 230 38.753 38.753 39.229 -0.476 17911 4712 1 9 . 1 1 44 44 PHE H H 230 8.547 8.547 8.326 0.221 17911 4713 1 9 . 1 1 45 45 ASN N N 231 118.852 118.852 118.584 0.268 17911 4714 1 9 . 1 1 45 45 ASN HA H 231 4.472 4.472 4.219 0.253 17911 4715 1 9 . 1 1 45 45 ASN CA C 231 55.344 55.344 56.139 -0.795 17911 4716 1 9 . 1 1 45 45 ASN CB C 231 37.391 37.391 38.060 -0.669 17911 4717 1 9 . 1 1 45 45 ASN H H 231 8.727 8.727 8.525 0.202 17911 4718 1 9 . 1 1 46 46 LEU N N 232 120.221 120.221 120.923 -0.702 17911 4719 1 9 . 1 1 46 46 LEU HA H 232 4.065 4.065 3.998 0.067 17911 4720 1 9 . 1 1 46 46 LEU CA C 232 58.152 58.152 58.025 0.127 17911 4721 1 9 . 1 1 46 46 LEU CB C 232 42.071 42.071 41.756 0.315 17911 4722 1 9 . 1 1 46 46 LEU H H 232 7.516 7.516 8.589 -1.073 17911 4723 1 9 . 1 1 47 47 VAL N N 233 119.649 119.649 119.167 0.482 17911 4724 1 9 . 1 1 47 47 VAL HA H 233 3.604 3.604 3.559 0.045 17911 4725 1 9 . 1 1 47 47 VAL CA C 233 65.864 65.864 66.019 -0.155 17911 4726 1 9 . 1 1 47 47 VAL CB C 233 31.575 31.575 30.906 0.669 17911 4727 1 9 . 1 1 47 47 VAL H H 233 6.987 6.987 7.906 -0.919 17911 4728 1 9 . 1 1 48 48 ALA N N 234 122.056 122.056 122.261 -0.205 17911 4729 1 9 . 1 1 48 48 ALA HA H 234 3.451 3.451 3.850 -0.399 17911 4730 1 9 . 1 1 48 48 ALA CA C 234 55.741 55.741 55.077 0.664 17911 4731 1 9 . 1 1 48 48 ALA CB C 234 16.971 16.971 18.150 -1.179 17911 4732 1 9 . 1 1 48 48 ALA H H 234 8.480 8.480 8.123 0.357 17911 4733 1 9 . 1 1 49 49 MET N N 235 114.180 114.180 118.394 -4.214 17911 4734 1 9 . 1 1 49 49 MET HA H 235 4.272 4.272 4.034 0.238 17911 4735 1 9 . 1 1 49 49 MET CA C 235 59.003 59.003 59.147 -0.144 17911 4736 1 9 . 1 1 49 49 MET CB C 235 32.967 32.967 32.541 0.426 17911 4737 1 9 . 1 1 49 49 MET H H 235 7.950 7.950 8.340 -0.390 17911 4738 1 9 . 1 1 50 50 LYS N N 236 120.217 120.217 119.855 0.362 17911 4739 1 9 . 1 1 50 50 LYS HA H 236 3.945 3.945 3.823 0.122 17911 4740 1 9 . 1 1 50 50 LYS CA C 236 58.378 58.378 58.612 -0.234 17911 4741 1 9 . 1 1 50 50 LYS CB C 236 31.833 31.833 32.321 -0.487 17911 4742 1 9 . 1 1 50 50 LYS H H 236 7.378 7.378 7.975 -0.597 17911 4743 1 9 . 1 1 51 51 TYR N N 237 115.853 115.853 114.882 0.971 17911 4744 1 9 . 1 1 51 51 TYR HA H 237 4.462 4.462 4.632 -0.170 17911 4745 1 9 . 1 1 51 51 TYR CA C 237 58.293 58.293 56.752 1.541 17911 4746 1 9 . 1 1 51 51 TYR CB C 237 38.668 38.668 37.877 0.791 17911 4747 1 9 . 1 1 51 51 TYR H H 237 7.392 7.392 7.389 0.003 17911 4748 1 9 . 1 1 52 52 ASN N N 238 115.965 115.965 116.041 -0.076 17911 4749 1 9 . 1 1 52 52 ASN HA H 238 4.403 4.403 4.410 -0.007 17911 4750 1 9 . 1 1 52 52 ASN CA C 238 54.834 54.834 54.438 0.396 17911 4751 1 9 . 1 1 52 52 ASN CB C 238 36.881 36.881 37.615 -0.734 17911 4752 1 9 . 1 1 52 52 ASN H H 238 7.914 7.914 7.795 0.119 17911 4753 1 9 . 1 1 53 53 TYR N N 239 120.379 120.379 117.681 2.698 17911 4754 1 9 . 1 1 53 53 TYR HA H 239 4.675 4.675 4.867 -0.192 17911 4755 1 9 . 1 1 53 53 TYR CA C 239 57.387 57.387 56.517 0.869 17911 4756 1 9 . 1 1 53 53 TYR CB C 239 37.788 37.788 39.798 -2.010 17911 4757 1 9 . 1 1 53 53 TYR H H 239 8.341 8.341 8.249 0.092 17911 4758 1 9 . 1 1 54 54 GLU N N 240 122.559 122.559 121.911 0.648 17911 4759 1 9 . 1 1 54 54 GLU HA H 240 4.317 4.317 4.414 -0.097 17911 4760 1 9 . 1 1 54 54 GLU CA C 240 54.579 54.579 55.617 -1.038 17911 4761 1 9 . 1 1 54 54 GLU CB C 240 30.802 30.802 29.940 0.862 17911 4762 1 9 . 1 1 54 54 GLU H H 240 8.114 8.114 8.718 -0.604 17911 4763 1 9 . 1 1 55 55 PRO HA H 241 4.314 4.314 4.429 -0.115 17911 4764 1 9 . 1 1 55 55 PRO CA C 241 62.973 62.973 62.668 0.305 17911 4765 1 9 . 1 1 55 55 PRO CB C 241 31.917 31.917 32.605 -0.688 17911 4766 1 9 . 1 1 56 56 LEU N N 242 124.468 124.468 119.526 4.942 17911 4767 1 9 . 1 1 56 56 LEU HA H 242 5.200 5.200 4.722 0.478 17911 4768 1 9 . 1 1 56 56 LEU CA C 242 53.747 53.747 53.886 -0.139 17911 4769 1 9 . 1 1 56 56 LEU CB C 242 45.560 45.560 46.457 -0.897 17911 4770 1 9 . 1 1 56 56 LEU H H 242 9.650 9.650 9.063 0.587 17911 4771 1 9 . 1 1 57 57 THR N N 243 116.700 116.700 112.985 3.715 17911 4772 1 9 . 1 1 57 57 THR HA H 243 4.664 4.664 4.885 -0.221 17911 4773 1 9 . 1 1 57 57 THR CA C 243 59.429 59.429 60.064 -0.635 17911 4774 1 9 . 1 1 57 57 THR CB C 243 71.851 71.851 71.572 0.279 17911 4775 1 9 . 1 1 57 57 THR H H 243 9.279 9.279 8.564 0.715 17911 4776 1 9 . 1 1 58 58 GLN N N 244 119.764 119.764 121.191 -1.427 17911 4777 1 9 . 1 1 58 58 GLN HA H 244 3.827 3.827 4.011 -0.184 17911 4778 1 9 . 1 1 58 58 GLN CA C 244 58.130 58.130 59.440 -1.310 17911 4779 1 9 . 1 1 58 58 GLN CB C 244 27.777 27.777 28.299 -0.522 17911 4780 1 9 . 1 1 58 58 GLN H H 244 8.959 8.959 9.012 -0.053 17911 4781 1 9 . 1 1 59 59 ASP N N 245 117.059 117.059 118.051 -0.992 17911 4782 1 9 . 1 1 59 59 ASP HA H 245 4.325 4.325 4.356 -0.031 17911 4783 1 9 . 1 1 59 59 ASP CA C 245 57.301 57.301 56.960 0.341 17911 4784 1 9 . 1 1 59 59 ASP CB C 245 40.029 40.029 40.553 -0.524 17911 4785 1 9 . 1 1 59 59 ASP H H 245 7.838 7.838 8.786 -0.948 17911 4786 1 9 . 1 1 60 60 HIS N N 246 119.076 119.076 118.543 0.533 17911 4787 1 9 . 1 1 60 60 HIS HA H 246 4.296 4.296 4.447 -0.151 17911 4788 1 9 . 1 1 60 60 HIS CA C 246 58.645 58.645 59.127 -0.481 17911 4789 1 9 . 1 1 60 60 HIS CB C 246 32.864 32.864 30.096 2.768 17911 4790 1 9 . 1 1 60 60 HIS H H 246 7.333 7.333 7.451 -0.118 17911 4791 1 9 . 1 1 61 61 VAL N N 247 118.215 118.215 120.018 -1.803 17911 4792 1 9 . 1 1 61 61 VAL HA H 247 3.400 3.400 3.697 -0.297 17911 4793 1 9 . 1 1 61 61 VAL CA C 247 67.257 67.257 66.824 0.433 17911 4794 1 9 . 1 1 61 61 VAL CB C 247 31.010 31.010 31.614 -0.604 17911 4795 1 9 . 1 1 61 61 VAL H H 247 7.565 7.565 8.484 -0.919 17911 4796 1 9 . 1 1 62 62 ASP N N 248 119.651 119.651 119.978 -0.327 17911 4797 1 9 . 1 1 62 62 ASP HA H 248 4.358 4.358 4.309 0.049 17911 4798 1 9 . 1 1 62 62 ASP CA C 248 57.557 57.557 57.533 0.024 17911 4799 1 9 . 1 1 62 62 ASP CB C 248 40.027 40.027 41.064 -1.037 17911 4800 1 9 . 1 1 62 62 ASP H H 248 8.142 8.142 8.264 -0.122 17911 4801 1 9 . 1 1 63 63 ILE N N 249 123.545 123.545 117.906 5.639 17911 4802 1 9 . 1 1 63 63 ILE HA H 249 3.756 3.756 3.958 -0.202 17911 4803 1 9 . 1 1 63 63 ILE CA C 249 64.832 64.832 63.834 0.998 17911 4804 1 9 . 1 1 63 63 ILE CB C 249 37.817 37.817 38.048 -0.231 17911 4805 1 9 . 1 1 63 63 ILE H H 249 8.017 8.017 7.378 0.639 17911 4806 1 9 . 1 1 64 64 LEU N N 250 117.125 117.125 117.420 -0.295 17911 4807 1 9 . 1 1 64 64 LEU HA H 250 4.094 4.094 4.229 -0.135 17911 4808 1 9 . 1 1 64 64 LEU CA C 250 55.004 55.004 55.580 -0.576 17911 4809 1 9 . 1 1 64 64 LEU CB C 250 42.662 42.662 41.303 1.359 17911 4810 1 9 . 1 1 64 64 LEU H H 250 7.217 7.217 7.901 -0.684 17911 4811 1 9 . 1 1 65 65 GLY N N 251 108.388 108.388 108.751 -0.363 17911 4812 1 9 . 1 1 65 65 GLY CA C 251 48.708 48.708 48.538 0.169 17911 4813 1 9 . 1 1 65 65 GLY H H 251 7.794 7.794 7.976 -0.182 17911 4814 1 9 . 1 1 66 66 PRO HA H 252 4.243 4.243 4.204 0.039 17911 4815 1 9 . 1 1 66 66 PRO CA C 252 66.036 66.036 65.067 0.970 17911 4816 1 9 . 1 1 66 66 PRO CB C 252 32.172 32.172 30.994 1.178 17911 4817 1 9 . 1 1 67 67 LEU N N 253 117.852 117.852 118.475 -0.623 17911 4818 1 9 . 1 1 67 67 LEU HA H 253 3.866 3.866 3.752 0.114 17911 4819 1 9 . 1 1 67 67 LEU CA C 253 57.301 57.301 57.224 0.077 17911 4820 1 9 . 1 1 67 67 LEU CB C 253 40.539 40.539 40.761 -0.222 17911 4821 1 9 . 1 1 67 67 LEU H H 253 7.344 7.344 7.529 -0.185 17911 4822 1 9 . 1 1 68 68 SER N N 254 117.191 117.191 115.074 2.117 17911 4823 1 9 . 1 1 68 68 SER HA H 254 4.154 4.154 4.349 -0.195 17911 4824 1 9 . 1 1 68 68 SER CA C 254 60.705 60.705 60.963 -0.258 17911 4825 1 9 . 1 1 68 68 SER CB C 254 63.286 63.286 63.085 0.201 17911 4826 1 9 . 1 1 68 68 SER H H 254 7.883 7.883 8.024 -0.141 17911 4827 1 9 . 1 1 69 69 ALA N N 255 123.895 123.895 124.346 -0.451 17911 4828 1 9 . 1 1 69 69 ALA HA H 255 4.078 4.078 4.052 0.026 17911 4829 1 9 . 1 1 69 69 ALA CA C 255 54.749 54.749 54.543 0.206 17911 4830 1 9 . 1 1 69 69 ALA CB C 255 17.992 17.992 18.181 -0.189 17911 4831 1 9 . 1 1 69 69 ALA H H 255 8.592 8.592 7.681 0.911 17911 4832 1 9 . 1 1 70 70 GLN N N 256 116.528 116.528 115.863 0.665 17911 4833 1 9 . 1 1 70 70 GLN HA H 256 4.011 4.011 4.085 -0.074 17911 4834 1 9 . 1 1 70 70 GLN CA C 256 58.634 58.634 57.894 0.740 17911 4835 1 9 . 1 1 70 70 GLN CB C 256 28.939 28.939 29.420 -0.481 17911 4836 1 9 . 1 1 70 70 GLN H H 256 7.744 7.744 7.992 -0.248 17911 4837 1 9 . 1 1 71 71 THR N N 257 103.056 103.056 108.568 -5.512 17911 4838 1 9 . 1 1 71 71 THR HA H 257 4.277 4.277 4.576 -0.299 17911 4839 1 9 . 1 1 71 71 THR CA C 257 62.236 62.236 62.509 -0.273 17911 4840 1 9 . 1 1 71 71 THR CB C 257 72.277 72.277 71.063 1.214 17911 4841 1 9 . 1 1 71 71 THR H H 257 7.401 7.401 7.938 -0.537 17911 4842 1 9 . 1 1 72 72 GLY N N 258 111.697 111.697 110.965 0.732 17911 4843 1 9 . 1 1 72 72 GLY CA C 258 45.900 45.900 45.287 0.613 17911 4844 1 9 . 1 1 72 72 GLY H H 258 8.113 8.113 8.223 -0.110 17911 4845 1 9 . 1 1 73 73 ILE N N 259 120.078 120.078 124.973 -4.895 17911 4846 1 9 . 1 1 73 73 ILE HA H 259 4.451 4.451 4.181 0.270 17911 4847 1 9 . 1 1 73 73 ILE CA C 259 58.903 58.903 60.029 -1.127 17911 4848 1 9 . 1 1 73 73 ILE CB C 259 38.497 38.497 37.415 1.082 17911 4849 1 9 . 1 1 73 73 ILE H H 259 7.598 7.598 7.505 0.093 17911 4850 1 9 . 1 1 74 74 ALA N N 260 107.454 107.454 131.654 -24.200 17911 4851 1 9 . 1 1 74 74 ALA HA H 260 4.178 4.178 4.256 -0.078 17911 4852 1 9 . 1 1 74 74 ALA CA C 260 52.622 52.622 52.666 -0.044 17911 4853 1 9 . 1 1 74 74 ALA CB C 260 18.417 18.417 19.353 -0.936 17911 4854 1 9 . 1 1 74 74 ALA H H 260 9.477 9.477 8.688 0.789 17911 4855 1 9 . 1 1 75 75 VAL N N 261 124.569 124.569 122.701 1.868 17911 4856 1 9 . 1 1 75 75 VAL HA H 261 4.095 4.095 3.834 0.261 17911 4857 1 9 . 1 1 75 75 VAL CA C 261 66.637 66.637 65.650 0.987 17911 4858 1 9 . 1 1 75 75 VAL CB C 261 31.575 31.575 31.718 -0.143 17911 4859 1 9 . 1 1 75 75 VAL H H 261 8.927 8.927 8.729 0.198 17911 4860 1 9 . 1 1 76 76 LEU N N 262 117.285 117.285 118.482 -1.197 17911 4861 1 9 . 1 1 76 76 LEU HA H 262 3.827 3.827 3.969 -0.142 17911 4862 1 9 . 1 1 76 76 LEU CA C 262 58.067 58.067 57.295 0.771 17911 4863 1 9 . 1 1 76 76 LEU CB C 262 39.774 39.774 40.835 -1.061 17911 4864 1 9 . 1 1 76 76 LEU H H 262 8.949 8.949 8.055 0.894 17911 4865 1 9 . 1 1 77 77 ASP N N 263 120.854 120.854 121.741 -0.887 17911 4866 1 9 . 1 1 77 77 ASP HA H 263 4.639 4.639 4.686 -0.047 17911 4867 1 9 . 1 1 77 77 ASP CA C 263 57.131 57.131 56.936 0.195 17911 4868 1 9 . 1 1 77 77 ASP CB C 263 39.178 39.178 41.226 -2.048 17911 4869 1 9 . 1 1 77 77 ASP H H 263 7.011 7.011 7.793 -0.782 17911 4870 1 9 . 1 1 78 78 MET N N 264 124.661 124.661 120.497 4.164 17911 4871 1 9 . 1 1 78 78 MET HA H 264 4.343 4.343 4.100 0.243 17911 4872 1 9 . 1 1 78 78 MET CA C 264 57.131 57.131 57.804 -0.673 17911 4873 1 9 . 1 1 78 78 MET CB C 264 31.172 31.172 31.874 -0.702 17911 4874 1 9 . 1 1 78 78 MET H H 264 8.025 8.025 8.264 -0.239 17911 4875 1 9 . 1 1 79 79 CYS N N 265 117.740 117.740 118.503 -0.763 17911 4876 1 9 . 1 1 79 79 CYS HA H 265 3.534 3.534 3.702 -0.168 17911 4877 1 9 . 1 1 79 79 CYS CA C 265 64.317 64.317 63.682 0.635 17911 4878 1 9 . 1 1 79 79 CYS CB C 265 25.564 25.564 26.062 -0.498 17911 4879 1 9 . 1 1 79 79 CYS H H 265 8.703 8.703 8.481 0.222 17911 4880 1 9 . 1 1 80 80 ALA N N 266 123.346 123.346 121.386 1.960 17911 4881 1 9 . 1 1 80 80 ALA HA H 266 3.884 3.884 4.129 -0.245 17911 4882 1 9 . 1 1 80 80 ALA CA C 266 55.174 55.174 54.750 0.424 17911 4883 1 9 . 1 1 80 80 ALA CB C 266 17.911 17.911 18.047 -0.136 17911 4884 1 9 . 1 1 80 80 ALA H H 266 7.745 7.745 8.138 -0.393 17911 4885 1 9 . 1 1 81 81 ALA N N 267 122.668 122.668 122.682 -0.014 17911 4886 1 9 . 1 1 81 81 ALA HA H 267 4.236 4.236 4.158 0.078 17911 4887 1 9 . 1 1 81 81 ALA CA C 267 54.778 54.778 54.701 0.077 17911 4888 1 9 . 1 1 81 81 ALA CB C 267 18.247 18.247 18.738 -0.491 17911 4889 1 9 . 1 1 81 81 ALA H H 267 7.513 7.513 8.065 -0.552 17911 4890 1 9 . 1 1 82 82 LEU N N 268 119.844 119.844 120.729 -0.885 17911 4891 1 9 . 1 1 82 82 LEU HA H 268 3.924 3.924 3.953 -0.029 17911 4892 1 9 . 1 1 82 82 LEU CA C 268 57.613 57.613 57.543 0.070 17911 4893 1 9 . 1 1 82 82 LEU CB C 268 40.681 40.681 41.365 -0.684 17911 4894 1 9 . 1 1 82 82 LEU H H 268 8.304 8.304 8.403 -0.099 17911 4895 1 9 . 1 1 83 83 LYS N N 269 119.140 119.140 118.402 0.738 17911 4896 1 9 . 1 1 83 83 LYS HA H 269 3.629 3.629 3.979 -0.350 17911 4897 1 9 . 1 1 83 83 LYS CA C 269 60.279 60.279 59.931 0.348 17911 4898 1 9 . 1 1 83 83 LYS CB C 269 33.052 33.052 32.473 0.579 17911 4899 1 9 . 1 1 83 83 LYS H H 269 8.881 8.881 8.683 0.198 17911 4900 1 9 . 1 1 84 84 GLU N N 270 116.647 116.647 118.191 -1.544 17911 4901 1 9 . 1 1 84 84 GLU HA H 270 4.085 4.085 4.221 -0.136 17911 4902 1 9 . 1 1 84 84 GLU CA C 270 58.903 58.903 58.279 0.624 17911 4903 1 9 . 1 1 84 84 GLU CB C 270 29.223 29.223 29.775 -0.552 17911 4904 1 9 . 1 1 84 84 GLU H H 270 7.107 7.107 7.683 -0.576 17911 4905 1 9 . 1 1 85 85 LEU N N 271 120.657 120.657 121.220 -0.563 17911 4906 1 9 . 1 1 85 85 LEU HA H 271 3.992 3.992 4.288 -0.296 17911 4907 1 9 . 1 1 85 85 LEU CA C 271 57.872 57.872 57.748 0.124 17911 4908 1 9 . 1 1 85 85 LEU CB C 271 42.326 42.326 41.738 0.588 17911 4909 1 9 . 1 1 85 85 LEU H H 271 7.757 7.757 8.352 -0.595 17911 4910 1 9 . 1 1 86 86 LEU N N 272 119.651 119.651 119.045 0.606 17911 4911 1 9 . 1 1 86 86 LEU HA H 272 3.535 3.535 3.850 -0.315 17911 4912 1 9 . 1 1 86 86 LEU CA C 272 57.356 57.356 57.225 0.131 17911 4913 1 9 . 1 1 86 86 LEU CB C 272 40.880 40.880 41.651 -0.771 17911 4914 1 9 . 1 1 86 86 LEU H H 272 8.336 8.336 8.445 -0.109 17911 4915 1 9 . 1 1 87 87 GLN N N 273 113.087 113.087 115.971 -2.884 17911 4916 1 9 . 1 1 87 87 GLN HA H 273 4.099 4.099 3.816 0.283 17911 4917 1 9 . 1 1 87 87 GLN CA C 273 58.387 58.387 57.435 0.952 17911 4918 1 9 . 1 1 87 87 GLN CB C 273 30.159 30.159 29.718 0.441 17911 4919 1 9 . 1 1 87 87 GLN H H 273 7.422 7.422 7.780 -0.358 17911 4920 1 9 . 1 1 88 88 ASN N N 274 113.925 113.925 113.806 0.119 17911 4921 1 9 . 1 1 88 88 ASN HA H 274 4.921 4.921 4.778 0.143 17911 4922 1 9 . 1 1 88 88 ASN CA C 274 53.747 53.747 52.419 1.328 17911 4923 1 9 . 1 1 88 88 ASN CB C 274 40.625 40.625 40.637 -0.012 17911 4924 1 9 . 1 1 88 88 ASN H H 274 8.388 8.388 7.759 0.629 17911 4925 1 9 . 1 1 89 89 GLY N N 275 109.040 109.040 110.080 -1.040 17911 4926 1 9 . 1 1 89 89 GLY CA C 275 44.709 44.709 46.378 -1.669 17911 4927 1 9 . 1 1 89 89 GLY H H 275 7.698 7.698 8.604 -0.906 17911 4928 1 9 . 1 1 90 90 MET N N 276 115.183 115.183 114.272 0.911 17911 4929 1 9 . 1 1 90 90 MET HA H 276 4.434 4.434 3.909 0.525 17911 4930 1 9 . 1 1 90 90 MET CA C 276 56.791 56.791 56.055 0.736 17911 4931 1 9 . 1 1 90 90 MET CB C 276 33.637 33.637 29.243 4.394 17911 4932 1 9 . 1 1 90 90 MET H H 276 8.599 8.599 8.745 -0.146 17911 4933 1 9 . 1 1 91 91 ASN N N 277 118.020 118.020 118.201 -0.181 17911 4934 1 9 . 1 1 91 91 ASN HA H 277 4.301 4.301 4.288 0.013 17911 4935 1 9 . 1 1 91 91 ASN CA C 277 53.983 53.983 54.532 -0.549 17911 4936 1 9 . 1 1 91 91 ASN CB C 277 37.987 37.987 37.449 0.538 17911 4937 1 9 . 1 1 91 91 ASN H H 277 9.033 9.033 8.478 0.555 17911 4938 1 9 . 1 1 92 92 GLY N N 278 104.906 104.906 103.610 1.296 17911 4939 1 9 . 1 1 92 92 GLY CA C 278 45.645 45.645 45.204 0.441 17911 4940 1 9 . 1 1 92 92 GLY H H 278 8.538 8.538 8.459 0.079 17911 4941 1 9 . 1 1 93 93 ARG N N 279 120.056 120.056 120.827 -0.771 17911 4942 1 9 . 1 1 93 93 ARG HA H 279 4.237 4.237 4.159 0.078 17911 4943 1 9 . 1 1 93 93 ARG CA C 279 55.344 55.344 56.074 -0.730 17911 4944 1 9 . 1 1 93 93 ARG CB C 279 31.491 31.491 29.962 1.529 17911 4945 1 9 . 1 1 93 93 ARG H H 279 7.257 7.257 7.895 -0.638 17911 4946 1 9 . 1 1 94 94 THR N N 280 106.223 106.223 112.077 -5.854 17911 4947 1 9 . 1 1 94 94 THR HA H 280 5.028 5.028 4.785 0.243 17911 4948 1 9 . 1 1 94 94 THR CA C 280 59.684 59.684 61.817 -2.133 17911 4949 1 9 . 1 1 94 94 THR CB C 280 72.787 72.787 70.032 2.755 17911 4950 1 9 . 1 1 94 94 THR H H 280 7.726 7.726 8.176 -0.450 17911 4951 1 9 . 1 1 95 95 ILE N N 281 121.214 121.214 121.756 -0.542 17911 4952 1 9 . 1 1 95 95 ILE HA H 281 4.301 4.301 4.875 -0.574 17911 4953 1 9 . 1 1 95 95 ILE CA C 281 62.066 62.066 61.242 0.824 17911 4954 1 9 . 1 1 95 95 ILE CB C 281 40.539 40.539 40.722 -0.183 17911 4955 1 9 . 1 1 95 95 ILE H H 281 8.761 8.761 8.556 0.205 17911 4956 1 9 . 1 1 96 96 LEU N N 282 128.347 128.347 117.963 10.384 17911 4957 1 9 . 1 1 96 96 LEU HA H 282 3.850 3.850 4.445 -0.595 17911 4958 1 9 . 1 1 96 96 LEU CA C 282 55.344 55.344 54.282 1.062 17911 4959 1 9 . 1 1 96 96 LEU CB C 282 40.539 40.539 42.554 -2.015 17911 4960 1 9 . 1 1 96 96 LEU H H 282 9.905 9.905 7.597 2.308 17911 4961 1 9 . 1 1 97 97 GLY N N 283 103.322 103.322 107.324 -4.002 17911 4962 1 9 . 1 1 97 97 GLY CA C 283 45.645 45.645 44.930 0.715 17911 4963 1 9 . 1 1 97 97 GLY H H 283 8.937 8.937 8.130 0.807 17911 4964 1 9 . 1 1 98 98 SER N N 284 116.619 116.619 114.722 1.897 17911 4965 1 9 . 1 1 98 98 SER HA H 284 4.950 4.950 4.883 0.067 17911 4966 1 9 . 1 1 98 98 SER CA C 284 56.961 56.961 56.183 0.778 17911 4967 1 9 . 1 1 98 98 SER CB C 284 65.044 65.044 64.306 0.738 17911 4968 1 9 . 1 1 98 98 SER H H 284 8.612 8.612 7.983 0.629 17911 4969 1 9 . 1 1 99 99 THR N N 285 114.513 114.513 115.058 -0.545 17911 4970 1 9 . 1 1 99 99 THR HA H 285 4.598 4.598 4.582 0.016 17911 4971 1 9 . 1 1 99 99 THR CA C 285 61.739 61.739 62.802 -1.063 17911 4972 1 9 . 1 1 99 99 THR CB C 285 69.214 69.214 68.494 0.720 17911 4973 1 9 . 1 1 99 99 THR H H 285 8.601 8.601 8.516 0.085 17911 4974 1 9 . 1 1 100 100 ILE N N 286 117.511 117.511 116.490 1.021 17911 4975 1 9 . 1 1 100 100 ILE HA H 286 4.496 4.496 4.630 -0.134 17911 4976 1 9 . 1 1 100 100 ILE CA C 286 59.173 59.173 59.724 -0.551 17911 4977 1 9 . 1 1 100 100 ILE CB C 286 41.887 41.887 41.037 0.850 17911 4978 1 9 . 1 1 100 100 ILE H H 286 7.931 7.931 7.303 0.628 17911 4979 1 9 . 1 1 101 101 LEU N N 287 121.101 121.101 119.706 1.395 17911 4980 1 9 . 1 1 101 101 LEU HA H 287 4.157 4.157 4.691 -0.534 17911 4981 1 9 . 1 1 101 101 LEU CA C 287 54.520 54.520 54.894 -0.374 17911 4982 1 9 . 1 1 101 101 LEU CB C 287 40.083 40.083 42.510 -2.427 17911 4983 1 9 . 1 1 101 101 LEU H H 287 8.025 8.025 8.249 -0.224 17911 4984 1 9 . 1 1 102 102 GLU HA H 288 3.720 3.720 4.205 -0.485 17911 4985 1 9 . 1 1 102 102 GLU CA C 288 55.770 55.770 54.558 1.212 17911 4986 1 9 . 1 1 102 102 GLU CB C 288 29.904 29.904 32.981 -3.077 17911 4987 1 9 . 1 1 103 103 ASP N N 289 121.287 121.287 120.996 0.291 17911 4988 1 9 . 1 1 103 103 ASP HA H 289 4.513 4.513 4.612 -0.099 17911 4989 1 9 . 1 1 103 103 ASP CA C 289 52.281 52.281 54.420 -2.139 17911 4990 1 9 . 1 1 103 103 ASP CB C 289 42.922 42.922 41.153 1.769 17911 4991 1 9 . 1 1 103 103 ASP H H 289 8.014 8.014 8.410 -0.396 17911 4992 1 9 . 1 1 104 104 GLU N N 290 118.245 118.245 118.979 -0.734 17911 4993 1 9 . 1 1 104 104 GLU HA H 290 3.904 3.904 4.060 -0.156 17911 4994 1 9 . 1 1 104 104 GLU CA C 290 57.614 57.614 57.062 0.552 17911 4995 1 9 . 1 1 104 104 GLU CB C 290 30.499 30.499 28.783 1.716 17911 4996 1 9 . 1 1 104 104 GLU H H 290 7.432 7.432 8.500 -1.068 17911 4997 1 9 . 1 1 105 105 PHE N N 291 120.606 120.606 118.310 2.296 17911 4998 1 9 . 1 1 105 105 PHE HA H 291 4.838 4.838 4.788 0.050 17911 4999 1 9 . 1 1 105 105 PHE CA C 291 56.536 56.536 56.118 0.418 17911 5000 1 9 . 1 1 105 105 PHE CB C 291 39.774 39.774 41.976 -2.202 17911 5001 1 9 . 1 1 105 105 PHE H H 291 8.835 8.835 7.330 1.505 17911 5002 1 9 . 1 1 106 106 THR N N 292 111.349 111.349 116.053 -4.704 17911 5003 1 9 . 1 1 106 106 THR HA H 292 4.670 4.670 4.566 0.104 17911 5004 1 9 . 1 1 106 106 THR CA C 292 59.344 59.344 60.025 -0.681 17911 5005 1 9 . 1 1 106 106 THR CB C 292 69.299 69.299 68.868 0.431 17911 5006 1 9 . 1 1 106 106 THR H H 292 8.757 8.757 8.450 0.307 17911 5007 1 9 . 1 1 107 107 PRO HA H 293 3.988 3.988 4.614 -0.626 17911 5008 1 9 . 1 1 107 107 PRO CA C 293 65.606 65.606 62.623 2.983 17911 5009 1 9 . 1 1 107 107 PRO CB C 293 31.321 31.321 32.703 -1.382 17911 5010 1 9 . 1 1 108 108 PHE N N 294 114.627 114.627 117.334 -2.707 17911 5011 1 9 . 1 1 108 108 PHE HA H 294 4.201 4.201 3.951 0.250 17911 5012 1 9 . 1 1 108 108 PHE CA C 294 59.676 59.676 61.719 -2.043 17911 5013 1 9 . 1 1 108 108 PHE CB C 294 38.582 38.582 38.056 0.526 17911 5014 1 9 . 1 1 108 108 PHE H H 294 7.310 7.310 9.035 -1.725 17911 5015 1 9 . 1 1 109 109 ASP N N 295 120.210 120.210 119.377 0.833 17911 5016 1 9 . 1 1 109 109 ASP HA H 295 4.404 4.404 4.529 -0.125 17911 5017 1 9 . 1 1 109 109 ASP CA C 295 57.098 57.098 56.727 0.371 17911 5018 1 9 . 1 1 109 109 ASP CB C 295 41.475 41.475 40.519 0.956 17911 5019 1 9 . 1 1 109 109 ASP H H 295 7.837 7.837 8.453 -0.616 17911 5020 1 9 . 1 1 110 110 VAL N N 296 119.070 119.070 117.363 1.707 17911 5021 1 9 . 1 1 110 110 VAL HA H 296 3.602 3.602 3.925 -0.323 17911 5022 1 9 . 1 1 110 110 VAL CA C 296 66.491 66.491 63.192 3.299 17911 5023 1 9 . 1 1 110 110 VAL CB C 296 31.605 31.605 30.945 0.659 17911 5024 1 9 . 1 1 110 110 VAL H H 296 7.945 7.945 7.836 0.109 17911 5025 1 9 . 1 1 111 111 VAL N N 297 119.540 119.540 115.076 4.464 17911 5026 1 9 . 1 1 111 111 VAL HA H 297 3.601 3.601 3.714 -0.113 17911 5027 1 9 . 1 1 111 111 VAL CA C 297 66.379 66.379 63.775 2.604 17911 5028 1 9 . 1 1 111 111 VAL CB C 297 31.605 31.605 30.831 0.774 17911 5029 1 9 . 1 1 111 111 VAL H H 297 8.109 8.109 7.407 0.702 17911 5030 1 9 . 1 1 112 112 ARG N N 298 119.680 119.680 124.752 -5.072 17911 5031 1 9 . 1 1 112 112 ARG HA H 298 4.010 4.010 4.544 -0.534 17911 5032 1 9 . 1 1 112 112 ARG CA C 298 58.634 58.634 56.258 2.376 17911 5033 1 9 . 1 1 112 112 ARG CB C 298 30.028 30.028 31.412 -1.384 17911 5034 1 9 . 1 1 112 112 ARG H H 298 7.710 7.710 8.908 -1.198 17911 5035 1 9 . 1 1 113 113 GLN N N 299 117.786 117.786 119.142 -1.356 17911 5036 1 9 . 1 1 113 113 GLN HA H 299 4.158 4.158 4.148 0.010 17911 5037 1 9 . 1 1 113 113 GLN CA C 299 57.557 57.557 58.331 -0.774 17911 5038 1 9 . 1 1 113 113 GLN CB C 299 29.308 29.308 29.038 0.270 17911 5039 1 9 . 1 1 113 113 GLN H H 299 8.033 8.033 8.495 -0.462 17911 5040 1 9 . 1 1 114 114 CYS N N 300 115.786 115.786 116.194 -0.408 17911 5041 1 9 . 1 1 114 114 CYS HA H 300 4.470 4.470 4.619 -0.149 17911 5042 1 9 . 1 1 114 114 CYS CA C 300 59.934 59.934 58.165 1.769 17911 5043 1 9 . 1 1 114 114 CYS CB C 300 28.293 28.293 27.983 0.310 17911 5044 1 9 . 1 1 114 114 CYS H H 300 8.071 8.071 8.109 -0.038 17911 5045 1 9 . 1 1 115 115 SER N N 301 116.258 116.258 115.538 0.720 17911 5046 1 9 . 1 1 115 115 SER HA H 301 4.407 4.407 4.526 -0.119 17911 5047 1 9 . 1 1 115 115 SER CA C 301 59.485 59.485 58.610 0.875 17911 5048 1 9 . 1 1 115 115 SER CB C 301 63.286 63.286 64.541 -1.255 17911 5049 1 9 . 1 1 115 115 SER H H 301 7.883 7.883 8.158 -0.275 17911 5050 1 9 . 1 1 116 116 GLY N N 302 110.709 110.709 111.955 -1.246 17911 5051 1 9 . 1 1 116 116 GLY CA C 302 45.239 45.239 46.383 -1.144 17911 5052 1 9 . 1 1 116 116 GLY H H 302 8.355 8.355 8.624 -0.269 17911 5053 1 9 . 1 1 117 117 VAL N N 303 119.189 119.189 114.448 4.741 17911 5054 1 9 . 1 1 117 117 VAL HA H 303 4.057 4.057 3.954 0.103 17911 5055 1 9 . 1 1 117 117 VAL CA C 303 62.236 62.236 63.403 -1.167 17911 5056 1 9 . 1 1 117 117 VAL CB C 303 32.626 32.626 32.058 0.568 17911 5057 1 9 . 1 1 117 117 VAL H H 303 7.710 7.710 7.649 0.061 17911 5058 1 9 . 1 1 118 118 THR N N 304 118.009 118.009 113.462 4.547 17911 5059 1 9 . 1 1 118 118 THR HA H 304 4.279 4.279 4.340 -0.061 17911 5060 1 9 . 1 1 118 118 THR CA C 304 61.556 61.556 60.479 1.077 17911 5061 1 9 . 1 1 118 118 THR CB C 304 69.894 69.894 70.575 -0.681 17911 5062 1 9 . 1 1 118 118 THR H H 304 8.109 8.109 7.362 0.747 17911 5063 1 9 . 1 1 119 119 PHE N N 305 123.287 123.287 118.885 4.402 17911 5064 1 9 . 1 1 119 119 PHE HA H 305 4.605 4.605 4.743 -0.138 17911 5065 1 9 . 1 1 119 119 PHE CA C 305 57.727 57.727 57.291 0.436 17911 5066 1 9 . 1 1 119 119 PHE CB C 305 39.859 39.859 39.709 0.150 17911 5067 1 9 . 1 1 119 119 PHE H H 305 8.298 8.298 8.464 -0.166 17911 5068 1 10 . 1 1 2 2 ARG N N 188 121.886 121.886 123.924 -2.038 17911 5069 1 10 . 1 1 2 2 ARG HA H 188 4.242 4.242 3.992 0.250 17911 5070 1 10 . 1 1 2 2 ARG CA C 188 56.487 56.487 57.852 -1.365 17911 5071 1 10 . 1 1 2 2 ARG CB C 188 30.857 30.857 29.552 1.305 17911 5072 1 10 . 1 1 2 2 ARG H H 188 8.475 8.475 8.728 -0.253 17911 5073 1 10 . 1 1 3 3 GLN N N 189 121.336 121.336 119.254 2.082 17911 5074 1 10 . 1 1 3 3 GLN HA H 189 4.302 4.302 4.183 0.119 17911 5075 1 10 . 1 1 3 3 GLN CA C 189 56.366 56.366 57.908 -1.542 17911 5076 1 10 . 1 1 3 3 GLN CB C 189 29.254 29.254 29.368 -0.114 17911 5077 1 10 . 1 1 3 3 GLN H H 189 8.553 8.553 8.513 0.040 17911 5078 1 10 . 1 1 4 4 THR N N 190 115.273 115.273 107.688 7.585 17911 5079 1 10 . 1 1 4 4 THR HA H 190 4.275 4.275 4.513 -0.238 17911 5080 1 10 . 1 1 4 4 THR CA C 190 62.066 62.066 61.491 0.575 17911 5081 1 10 . 1 1 4 4 THR CB C 190 69.894 69.894 70.805 -0.910 17911 5082 1 10 . 1 1 4 4 THR H H 190 8.123 8.123 7.867 0.256 17911 5083 1 10 . 1 1 5 5 ALA N N 191 126.029 126.029 125.866 0.163 17911 5084 1 10 . 1 1 5 5 ALA HA H 191 4.247 4.247 4.250 -0.003 17911 5085 1 10 . 1 1 5 5 ALA CA C 191 52.537 52.537 52.927 -0.390 17911 5086 1 10 . 1 1 5 5 ALA CB C 191 19.183 19.183 19.270 -0.087 17911 5087 1 10 . 1 1 5 5 ALA H H 191 8.284 8.284 8.092 0.192 17911 5088 1 10 . 1 1 6 6 GLN N N 192 119.614 119.614 120.996 -1.382 17911 5089 1 10 . 1 1 6 6 GLN HA H 192 4.217 4.217 4.443 -0.226 17911 5090 1 10 . 1 1 6 6 GLN CA C 192 55.685 55.685 54.874 0.811 17911 5091 1 10 . 1 1 6 6 GLN CB C 192 29.513 29.513 30.511 -0.998 17911 5092 1 10 . 1 1 6 6 GLN H H 192 8.287 8.287 8.029 0.258 17911 5093 1 10 . 1 1 7 7 ALA N N 193 125.571 125.571 123.275 2.296 17911 5094 1 10 . 1 1 7 7 ALA HA H 193 4.246 4.246 4.276 -0.030 17911 5095 1 10 . 1 1 7 7 ALA CA C 193 52.537 52.537 53.009 -0.472 17911 5096 1 10 . 1 1 7 7 ALA CB C 193 19.268 19.268 18.705 0.563 17911 5097 1 10 . 1 1 7 7 ALA H H 193 8.271 8.271 8.597 -0.326 17911 5098 1 10 . 1 1 8 8 ALA N N 194 123.461 123.461 117.884 5.577 17911 5099 1 10 . 1 1 8 8 ALA HA H 194 4.250 4.250 4.570 -0.320 17911 5100 1 10 . 1 1 8 8 ALA CA C 194 52.593 52.593 51.703 0.890 17911 5101 1 10 . 1 1 8 8 ALA CB C 194 19.324 19.324 20.747 -1.423 17911 5102 1 10 . 1 1 8 8 ALA H H 194 8.275 8.275 7.364 0.911 17911 5103 1 10 . 1 1 9 9 GLY N N 195 108.312 108.312 109.493 -1.181 17911 5104 1 10 . 1 1 9 9 GLY CA C 195 45.219 45.219 45.784 -0.565 17911 5105 1 10 . 1 1 9 9 GLY H H 195 8.328 8.328 9.091 -0.763 17911 5106 1 10 . 1 1 10 10 THR N N 196 112.710 112.710 113.298 -0.588 17911 5107 1 10 . 1 1 10 10 THR HA H 196 4.334 4.334 3.991 0.343 17911 5108 1 10 . 1 1 10 10 THR CA C 196 61.471 61.471 63.740 -2.269 17911 5109 1 10 . 1 1 10 10 THR CB C 196 69.894 69.894 67.272 2.622 17911 5110 1 10 . 1 1 10 10 THR H H 196 7.998 7.998 8.278 -0.280 17911 5111 1 10 . 1 1 11 11 ASP N N 197 122.862 122.862 117.667 5.195 17911 5112 1 10 . 1 1 11 11 ASP HA H 197 4.609 4.609 4.666 -0.057 17911 5113 1 10 . 1 1 11 11 ASP CA C 197 54.262 54.262 53.178 1.083 17911 5114 1 10 . 1 1 11 11 ASP CB C 197 41.135 41.135 41.159 -0.024 17911 5115 1 10 . 1 1 11 11 ASP H H 197 8.404 8.404 8.543 -0.139 17911 5116 1 10 . 1 1 12 12 THR N N 198 114.709 114.709 112.983 1.726 17911 5117 1 10 . 1 1 12 12 THR HA H 198 4.400 4.400 4.313 0.087 17911 5118 1 10 . 1 1 12 12 THR CA C 198 61.223 61.223 62.360 -1.137 17911 5119 1 10 . 1 1 12 12 THR CB C 198 70.490 70.490 69.432 1.058 17911 5120 1 10 . 1 1 12 12 THR H H 198 7.895 7.895 7.344 0.551 17911 5121 1 10 . 1 1 13 13 THR N N 199 122.785 122.785 120.355 2.430 17911 5122 1 10 . 1 1 13 13 THR HA H 199 3.961 3.961 4.148 -0.187 17911 5123 1 10 . 1 1 13 13 THR CA C 199 63.286 63.286 63.985 -0.699 17911 5124 1 10 . 1 1 13 13 THR CB C 199 68.958 68.958 68.772 0.186 17911 5125 1 10 . 1 1 13 13 THR H H 199 8.354 8.354 8.162 0.192 17911 5126 1 10 . 1 1 14 14 ILE N N 200 127.902 127.902 129.967 -2.065 17911 5127 1 10 . 1 1 14 14 ILE HA H 200 3.807 3.807 4.194 -0.387 17911 5128 1 10 . 1 1 14 14 ILE CA C 200 60.965 60.965 61.550 -0.585 17911 5129 1 10 . 1 1 14 14 ILE CB C 200 35.860 35.860 35.832 0.028 17911 5130 1 10 . 1 1 14 14 ILE H H 200 9.362 9.362 9.241 0.121 17911 5131 1 10 . 1 1 15 15 THR N N 201 130.379 130.379 123.268 7.111 17911 5132 1 10 . 1 1 15 15 THR HA H 201 3.521 3.521 4.088 -0.567 17911 5133 1 10 . 1 1 15 15 THR CA C 201 66.637 66.637 67.050 -0.413 17911 5134 1 10 . 1 1 15 15 THR CB C 201 67.411 67.411 68.797 -1.386 17911 5135 1 10 . 1 1 15 15 THR H H 201 7.834 7.834 8.246 -0.412 17911 5136 1 10 . 1 1 16 16 LEU N N 202 120.049 120.049 121.383 -1.334 17911 5137 1 10 . 1 1 16 16 LEU HA H 202 3.715 3.715 4.111 -0.396 17911 5138 1 10 . 1 1 16 16 LEU CA C 202 58.387 58.387 58.702 -0.315 17911 5139 1 10 . 1 1 16 16 LEU CB C 202 43.148 43.148 41.697 1.451 17911 5140 1 10 . 1 1 16 16 LEU H H 202 8.913 8.913 8.649 0.264 17911 5141 1 10 . 1 1 17 17 ASN N N 203 117.390 117.390 117.446 -0.056 17911 5142 1 10 . 1 1 17 17 ASN HA H 203 4.594 4.594 4.845 -0.251 17911 5143 1 10 . 1 1 17 17 ASN CA C 203 54.520 54.520 55.552 -1.032 17911 5144 1 10 . 1 1 17 17 ASN CB C 203 37.246 37.246 38.309 -1.063 17911 5145 1 10 . 1 1 17 17 ASN H H 203 6.926 6.926 8.048 -1.122 17911 5146 1 10 . 1 1 18 18 VAL N N 204 123.434 123.434 122.813 0.621 17911 5147 1 10 . 1 1 18 18 VAL HA H 204 4.242 4.242 4.013 0.229 17911 5148 1 10 . 1 1 18 18 VAL CA C 204 66.236 66.236 66.715 -0.479 17911 5149 1 10 . 1 1 18 18 VAL CB C 204 31.605 31.605 31.923 -0.318 17911 5150 1 10 . 1 1 18 18 VAL H H 204 7.660 7.660 7.924 -0.264 17911 5151 1 10 . 1 1 19 19 LEU N N 205 117.301 117.301 119.987 -2.686 17911 5152 1 10 . 1 1 19 19 LEU HA H 205 3.945 3.945 3.891 0.054 17911 5153 1 10 . 1 1 19 19 LEU CA C 205 58.408 58.408 58.273 0.136 17911 5154 1 10 . 1 1 19 19 LEU CB C 205 42.918 42.918 41.219 1.699 17911 5155 1 10 . 1 1 19 19 LEU H H 205 8.573 8.573 8.583 -0.010 17911 5156 1 10 . 1 1 20 20 ALA N N 206 120.290 120.290 121.956 -1.666 17911 5157 1 10 . 1 1 20 20 ALA HA H 206 4.012 4.012 4.252 -0.240 17911 5158 1 10 . 1 1 20 20 ALA CA C 206 56.195 56.195 55.369 0.826 17911 5159 1 10 . 1 1 20 20 ALA CB C 206 17.911 17.911 18.430 -0.519 17911 5160 1 10 . 1 1 20 20 ALA H H 206 8.188 8.188 8.231 -0.043 17911 5161 1 10 . 1 1 21 21 TRP N N 207 121.219 121.219 120.830 0.389 17911 5162 1 10 . 1 1 21 21 TRP HA H 207 4.110 4.110 3.935 0.175 17911 5163 1 10 . 1 1 21 21 TRP CA C 207 61.224 61.224 61.489 -0.265 17911 5164 1 10 . 1 1 21 21 TRP CB C 207 28.712 28.712 29.225 -0.513 17911 5165 1 10 . 1 1 21 21 TRP H H 207 8.406 8.406 8.343 0.063 17911 5166 1 10 . 1 1 22 22 LEU HA H 208 3.517 3.517 3.481 0.036 17911 5167 1 10 . 1 1 22 22 LEU CA C 208 57.897 57.897 58.000 -0.103 17911 5168 1 10 . 1 1 22 22 LEU CB C 208 40.880 40.880 41.258 -0.378 17911 5169 1 10 . 1 1 22 22 LEU H H 208 8.620 8.620 8.680 -0.059 17911 5170 1 10 . 1 1 23 23 TYR N N 209 117.656 117.656 118.759 -1.103 17911 5171 1 10 . 1 1 23 23 TYR HA H 209 3.956 3.956 4.077 -0.121 17911 5172 1 10 . 1 1 23 23 TYR CA C 209 64.704 64.704 61.959 2.745 17911 5173 1 10 . 1 1 23 23 TYR CB C 209 38.793 38.793 37.421 1.372 17911 5174 1 10 . 1 1 23 23 TYR H H 209 8.368 8.368 8.360 0.008 17911 5175 1 10 . 1 1 24 24 ALA N N 210 122.658 122.658 121.333 1.325 17911 5176 1 10 . 1 1 24 24 ALA HA H 210 3.837 3.837 3.868 -0.031 17911 5177 1 10 . 1 1 24 24 ALA CA C 210 55.036 55.036 54.920 0.115 17911 5178 1 10 . 1 1 24 24 ALA CB C 210 17.311 17.311 17.749 -0.438 17911 5179 1 10 . 1 1 24 24 ALA H H 210 8.461 8.461 8.154 0.307 17911 5180 1 10 . 1 1 25 25 ALA N N 211 123.868 123.868 121.530 2.338 17911 5181 1 10 . 1 1 25 25 ALA HA H 211 3.761 3.761 3.679 0.082 17911 5182 1 10 . 1 1 25 25 ALA CA C 211 55.551 55.551 54.791 0.760 17911 5183 1 10 . 1 1 25 25 ALA CB C 211 17.992 17.992 17.987 0.005 17911 5184 1 10 . 1 1 25 25 ALA H H 211 8.564 8.564 7.751 0.813 17911 5185 1 10 . 1 1 26 26 VAL N N 212 119.783 119.783 119.055 0.728 17911 5186 1 10 . 1 1 26 26 VAL HA H 212 3.487 3.487 3.497 -0.010 17911 5187 1 10 . 1 1 26 26 VAL CA C 212 66.576 66.576 66.318 0.258 17911 5188 1 10 . 1 1 26 26 VAL CB C 212 31.575 31.575 31.736 -0.161 17911 5189 1 10 . 1 1 26 26 VAL H H 212 8.008 8.008 8.047 -0.039 17911 5190 1 10 . 1 1 27 27 ILE N N 213 124.428 124.428 117.131 7.297 17911 5191 1 10 . 1 1 27 27 ILE HA H 213 3.559 3.559 3.710 -0.151 17911 5192 1 10 . 1 1 27 27 ILE CA C 213 65.526 65.526 64.374 1.152 17911 5193 1 10 . 1 1 27 27 ILE CB C 213 37.902 37.902 37.898 0.004 17911 5194 1 10 . 1 1 27 27 ILE H H 213 8.576 8.576 8.241 0.335 17911 5195 1 10 . 1 1 28 28 ASN N N 214 116.563 116.563 116.175 0.388 17911 5196 1 10 . 1 1 28 28 ASN HA H 214 4.565 4.565 4.621 -0.056 17911 5197 1 10 . 1 1 28 28 ASN CA C 214 54.579 54.579 54.916 -0.337 17911 5198 1 10 . 1 1 28 28 ASN CB C 214 40.340 40.340 40.382 -0.042 17911 5199 1 10 . 1 1 28 28 ASN H H 214 7.714 7.714 7.977 -0.263 17911 5200 1 10 . 1 1 29 29 GLY N N 215 107.004 107.004 106.138 0.866 17911 5201 1 10 . 1 1 29 29 GLY CA C 215 45.683 45.683 45.084 0.599 17911 5202 1 10 . 1 1 29 29 GLY H H 215 7.861 7.861 8.337 -0.476 17911 5203 1 10 . 1 1 30 30 ASP N N 216 125.780 125.780 124.564 1.216 17911 5204 1 10 . 1 1 30 30 ASP HA H 216 5.019 5.019 4.584 0.435 17911 5205 1 10 . 1 1 30 30 ASP CA C 216 53.643 53.643 55.027 -1.384 17911 5206 1 10 . 1 1 30 30 ASP CB C 216 41.561 41.561 40.048 1.513 17911 5207 1 10 . 1 1 30 30 ASP H H 216 8.560 8.560 7.832 0.728 17911 5208 1 10 . 1 1 31 31 ARG N N 217 115.297 115.297 120.703 -5.406 17911 5209 1 10 . 1 1 31 31 ARG HA H 217 3.711 3.711 3.130 0.581 17911 5210 1 10 . 1 1 31 31 ARG CA C 217 54.520 54.520 55.062 -0.542 17911 5211 1 10 . 1 1 31 31 ARG CB C 217 32.116 32.116 30.838 1.278 17911 5212 1 10 . 1 1 31 31 ARG H H 217 7.984 7.984 7.279 0.705 17911 5213 1 10 . 1 1 32 32 TRP N N 218 119.754 119.754 119.860 -0.106 17911 5214 1 10 . 1 1 32 32 TRP HA H 218 4.120 4.120 4.235 -0.115 17911 5215 1 10 . 1 1 32 32 TRP CA C 218 58.387 58.387 57.444 0.943 17911 5216 1 10 . 1 1 32 32 TRP CB C 218 28.372 28.372 28.033 0.339 17911 5217 1 10 . 1 1 32 32 TRP H H 218 7.368 7.368 7.224 0.144 17911 5218 1 10 . 1 1 33 33 PHE HA H 219 3.919 3.919 4.561 -0.642 17911 5219 1 10 . 1 1 33 33 PHE CA C 219 55.315 55.315 56.172 -0.857 17911 5220 1 10 . 1 1 33 33 PHE CB C 219 37.277 37.277 37.474 -0.197 17911 5221 1 10 . 1 1 34 34 LEU N N 220 122.632 122.632 122.663 -0.031 17911 5222 1 10 . 1 1 34 34 LEU HA H 220 3.931 3.931 4.110 -0.179 17911 5223 1 10 . 1 1 34 34 LEU CA C 220 55.315 55.315 54.505 0.810 17911 5224 1 10 . 1 1 34 34 LEU CB C 220 40.790 40.790 39.550 1.240 17911 5225 1 10 . 1 1 34 34 LEU H H 220 6.447 6.447 7.366 -0.919 17911 5226 1 10 . 1 1 35 35 ASN N N 221 119.503 119.503 119.372 0.131 17911 5227 1 10 . 1 1 35 35 ASN HA H 221 4.709 4.709 4.352 0.357 17911 5228 1 10 . 1 1 35 35 ASN CA C 221 52.026 52.026 53.088 -1.062 17911 5229 1 10 . 1 1 35 35 ASN CB C 221 40.598 40.598 38.210 2.388 17911 5230 1 10 . 1 1 35 35 ASN H H 221 8.105 8.105 8.289 -0.184 17911 5231 1 10 . 1 1 36 36 ARG N N 222 116.408 116.408 112.209 4.199 17911 5232 1 10 . 1 1 36 36 ARG HA H 222 4.293 4.293 3.983 0.310 17911 5233 1 10 . 1 1 36 36 ARG CA C 222 55.600 55.600 56.983 -1.383 17911 5234 1 10 . 1 1 36 36 ARG CB C 222 28.997 28.997 27.152 1.845 17911 5235 1 10 . 1 1 36 36 ARG H H 222 8.099 8.099 7.928 0.171 17911 5236 1 10 . 1 1 37 37 PHE N N 223 120.398 120.398 119.228 1.170 17911 5237 1 10 . 1 1 37 37 PHE HA H 223 4.813 4.813 4.588 0.225 17911 5238 1 10 . 1 1 37 37 PHE CA C 223 56.081 56.081 56.758 -0.677 17911 5239 1 10 . 1 1 37 37 PHE CB C 223 40.085 40.085 39.445 0.640 17911 5240 1 10 . 1 1 37 37 PHE H H 223 7.842 7.842 7.586 0.256 17911 5241 1 10 . 1 1 38 38 THR N N 224 112.040 112.040 111.929 0.111 17911 5242 1 10 . 1 1 38 38 THR HA H 224 4.653 4.653 4.711 -0.058 17911 5243 1 10 . 1 1 38 38 THR CA C 224 60.708 60.708 60.413 0.295 17911 5244 1 10 . 1 1 38 38 THR CB C 224 71.000 71.000 70.430 0.570 17911 5245 1 10 . 1 1 38 38 THR H H 224 8.231 8.231 8.383 -0.152 17911 5246 1 10 . 1 1 39 39 THR N N 225 116.627 116.627 114.093 2.534 17911 5247 1 10 . 1 1 39 39 THR HA H 225 4.925 4.925 4.604 0.321 17911 5248 1 10 . 1 1 39 39 THR CA C 225 59.677 59.677 60.493 -0.816 17911 5249 1 10 . 1 1 39 39 THR CB C 225 69.989 69.989 71.078 -1.089 17911 5250 1 10 . 1 1 39 39 THR H H 225 8.107 8.107 8.027 0.080 17911 5251 1 10 . 1 1 40 40 THR N N 226 111.263 111.263 116.300 -5.037 17911 5252 1 10 . 1 1 40 40 THR HA H 226 4.727 4.727 4.441 0.286 17911 5253 1 10 . 1 1 40 40 THR CA C 226 59.740 59.740 61.281 -1.541 17911 5254 1 10 . 1 1 40 40 THR CB C 226 72.052 72.052 70.063 1.989 17911 5255 1 10 . 1 1 40 40 THR H H 226 8.481 8.481 8.271 0.210 17911 5256 1 10 . 1 1 41 41 LEU N N 227 123.989 123.989 124.479 -0.490 17911 5257 1 10 . 1 1 41 41 LEU HA H 227 3.986 3.986 4.145 -0.159 17911 5258 1 10 . 1 1 41 41 LEU CA C 227 58.903 58.903 58.262 0.641 17911 5259 1 10 . 1 1 41 41 LEU CB C 227 41.561 41.561 42.050 -0.489 17911 5260 1 10 . 1 1 41 41 LEU H H 227 9.259 9.259 8.784 0.475 17911 5261 1 10 . 1 1 42 42 ASN N N 228 115.183 115.183 117.098 -1.915 17911 5262 1 10 . 1 1 42 42 ASN HA H 228 4.435 4.435 4.394 0.041 17911 5263 1 10 . 1 1 42 42 ASN CA C 228 56.961 56.961 57.345 -0.384 17911 5264 1 10 . 1 1 42 42 ASN CB C 228 38.497 38.497 38.143 0.354 17911 5265 1 10 . 1 1 42 42 ASN H H 228 8.598 8.598 8.493 0.105 17911 5266 1 10 . 1 1 43 43 ASP N N 229 118.746 118.746 120.280 -1.534 17911 5267 1 10 . 1 1 43 43 ASP HA H 229 4.367 4.367 4.422 -0.055 17911 5268 1 10 . 1 1 43 43 ASP CA C 229 57.387 57.387 57.266 0.121 17911 5269 1 10 . 1 1 43 43 ASP CB C 229 40.625 40.625 40.929 -0.304 17911 5270 1 10 . 1 1 43 43 ASP H H 229 7.847 7.847 7.932 -0.085 17911 5271 1 10 . 1 1 44 44 PHE N N 230 120.193 120.193 120.880 -0.687 17911 5272 1 10 . 1 1 44 44 PHE HA H 230 3.808 3.808 4.080 -0.272 17911 5273 1 10 . 1 1 44 44 PHE CA C 230 62.747 62.747 61.763 0.984 17911 5274 1 10 . 1 1 44 44 PHE CB C 230 38.753 38.753 39.159 -0.406 17911 5275 1 10 . 1 1 44 44 PHE H H 230 8.547 8.547 8.354 0.193 17911 5276 1 10 . 1 1 45 45 ASN N N 231 118.852 118.852 118.406 0.446 17911 5277 1 10 . 1 1 45 45 ASN HA H 231 4.472 4.472 4.207 0.265 17911 5278 1 10 . 1 1 45 45 ASN CA C 231 55.344 55.344 56.111 -0.767 17911 5279 1 10 . 1 1 45 45 ASN CB C 231 37.391 37.391 38.043 -0.652 17911 5280 1 10 . 1 1 45 45 ASN H H 231 8.727 8.727 8.518 0.209 17911 5281 1 10 . 1 1 46 46 LEU N N 232 120.221 120.221 120.658 -0.437 17911 5282 1 10 . 1 1 46 46 LEU HA H 232 4.065 4.065 3.934 0.131 17911 5283 1 10 . 1 1 46 46 LEU CA C 232 58.152 58.152 58.311 -0.159 17911 5284 1 10 . 1 1 46 46 LEU CB C 232 42.071 42.071 41.851 0.220 17911 5285 1 10 . 1 1 46 46 LEU H H 232 7.516 7.516 8.333 -0.817 17911 5286 1 10 . 1 1 47 47 VAL N N 233 119.649 119.649 118.252 1.397 17911 5287 1 10 . 1 1 47 47 VAL HA H 233 3.604 3.604 3.539 0.065 17911 5288 1 10 . 1 1 47 47 VAL CA C 233 65.864 65.864 66.145 -0.281 17911 5289 1 10 . 1 1 47 47 VAL CB C 233 31.575 31.575 31.156 0.419 17911 5290 1 10 . 1 1 47 47 VAL H H 233 6.987 6.987 7.924 -0.937 17911 5291 1 10 . 1 1 48 48 ALA N N 234 122.056 122.056 122.150 -0.094 17911 5292 1 10 . 1 1 48 48 ALA HA H 234 3.451 3.451 3.830 -0.379 17911 5293 1 10 . 1 1 48 48 ALA CA C 234 55.741 55.741 55.005 0.736 17911 5294 1 10 . 1 1 48 48 ALA CB C 234 16.971 16.971 18.103 -1.132 17911 5295 1 10 . 1 1 48 48 ALA H H 234 8.480 8.480 8.120 0.360 17911 5296 1 10 . 1 1 49 49 MET N N 235 114.180 114.180 118.149 -3.969 17911 5297 1 10 . 1 1 49 49 MET HA H 235 4.272 4.272 4.219 0.053 17911 5298 1 10 . 1 1 49 49 MET CA C 235 59.003 59.003 58.814 0.189 17911 5299 1 10 . 1 1 49 49 MET CB C 235 32.967 32.967 32.526 0.441 17911 5300 1 10 . 1 1 49 49 MET H H 235 7.950 7.950 8.323 -0.373 17911 5301 1 10 . 1 1 50 50 LYS N N 236 120.217 120.217 120.549 -0.332 17911 5302 1 10 . 1 1 50 50 LYS HA H 236 3.945 3.945 3.825 0.120 17911 5303 1 10 . 1 1 50 50 LYS CA C 236 58.378 58.378 58.691 -0.313 17911 5304 1 10 . 1 1 50 50 LYS CB C 236 31.833 31.833 32.276 -0.443 17911 5305 1 10 . 1 1 50 50 LYS H H 236 7.378 7.378 8.112 -0.734 17911 5306 1 10 . 1 1 51 51 TYR N N 237 115.853 115.853 114.527 1.326 17911 5307 1 10 . 1 1 51 51 TYR HA H 237 4.462 4.462 4.673 -0.211 17911 5308 1 10 . 1 1 51 51 TYR CA C 237 58.293 58.293 56.958 1.335 17911 5309 1 10 . 1 1 51 51 TYR CB C 237 38.668 38.668 37.995 0.673 17911 5310 1 10 . 1 1 51 51 TYR H H 237 7.392 7.392 7.363 0.029 17911 5311 1 10 . 1 1 52 52 ASN N N 238 115.965 115.965 116.261 -0.296 17911 5312 1 10 . 1 1 52 52 ASN HA H 238 4.403 4.403 4.377 0.026 17911 5313 1 10 . 1 1 52 52 ASN CA C 238 54.834 54.834 54.393 0.441 17911 5314 1 10 . 1 1 52 52 ASN CB C 238 36.881 36.881 37.459 -0.578 17911 5315 1 10 . 1 1 52 52 ASN H H 238 7.914 7.914 7.735 0.179 17911 5316 1 10 . 1 1 53 53 TYR N N 239 120.379 120.379 117.513 2.866 17911 5317 1 10 . 1 1 53 53 TYR HA H 239 4.675 4.675 4.838 -0.163 17911 5318 1 10 . 1 1 53 53 TYR CA C 239 57.387 57.387 57.283 0.104 17911 5319 1 10 . 1 1 53 53 TYR CB C 239 37.788 37.788 39.469 -1.681 17911 5320 1 10 . 1 1 53 53 TYR H H 239 8.341 8.341 8.336 0.005 17911 5321 1 10 . 1 1 54 54 GLU N N 240 122.559 122.559 122.201 0.358 17911 5322 1 10 . 1 1 54 54 GLU HA H 240 4.317 4.317 4.371 -0.054 17911 5323 1 10 . 1 1 54 54 GLU CA C 240 54.579 54.579 55.732 -1.153 17911 5324 1 10 . 1 1 54 54 GLU CB C 240 30.802 30.802 29.879 0.923 17911 5325 1 10 . 1 1 54 54 GLU H H 240 8.114 8.114 8.823 -0.709 17911 5326 1 10 . 1 1 55 55 PRO HA H 241 4.314 4.314 4.410 -0.096 17911 5327 1 10 . 1 1 55 55 PRO CA C 241 62.973 62.973 62.649 0.324 17911 5328 1 10 . 1 1 55 55 PRO CB C 241 31.917 31.917 32.527 -0.610 17911 5329 1 10 . 1 1 56 56 LEU N N 242 124.468 124.468 120.765 3.703 17911 5330 1 10 . 1 1 56 56 LEU HA H 242 5.200 5.200 4.689 0.511 17911 5331 1 10 . 1 1 56 56 LEU CA C 242 53.747 53.747 53.768 -0.021 17911 5332 1 10 . 1 1 56 56 LEU CB C 242 45.560 45.560 46.528 -0.968 17911 5333 1 10 . 1 1 56 56 LEU H H 242 9.650 9.650 9.121 0.529 17911 5334 1 10 . 1 1 57 57 THR N N 243 116.700 116.700 113.111 3.589 17911 5335 1 10 . 1 1 57 57 THR HA H 243 4.664 4.664 4.822 -0.158 17911 5336 1 10 . 1 1 57 57 THR CA C 243 59.429 59.429 59.927 -0.498 17911 5337 1 10 . 1 1 57 57 THR CB C 243 71.851 71.851 72.002 -0.151 17911 5338 1 10 . 1 1 57 57 THR H H 243 9.279 9.279 8.652 0.627 17911 5339 1 10 . 1 1 58 58 GLN N N 244 119.764 119.764 121.238 -1.474 17911 5340 1 10 . 1 1 58 58 GLN HA H 244 3.827 3.827 4.056 -0.229 17911 5341 1 10 . 1 1 58 58 GLN CA C 244 58.130 58.130 59.584 -1.454 17911 5342 1 10 . 1 1 58 58 GLN CB C 244 27.777 27.777 28.233 -0.456 17911 5343 1 10 . 1 1 58 58 GLN H H 244 8.959 8.959 8.984 -0.025 17911 5344 1 10 . 1 1 59 59 ASP N N 245 117.059 117.059 119.073 -2.014 17911 5345 1 10 . 1 1 59 59 ASP HA H 245 4.325 4.325 4.378 -0.053 17911 5346 1 10 . 1 1 59 59 ASP CA C 245 57.301 57.301 57.005 0.296 17911 5347 1 10 . 1 1 59 59 ASP CB C 245 40.029 40.029 40.629 -0.600 17911 5348 1 10 . 1 1 59 59 ASP H H 245 7.838 7.838 8.709 -0.871 17911 5349 1 10 . 1 1 60 60 HIS N N 246 119.076 119.076 118.906 0.170 17911 5350 1 10 . 1 1 60 60 HIS HA H 246 4.296 4.296 4.357 -0.061 17911 5351 1 10 . 1 1 60 60 HIS CA C 246 58.645 58.645 59.371 -0.726 17911 5352 1 10 . 1 1 60 60 HIS CB C 246 32.864 32.864 30.087 2.777 17911 5353 1 10 . 1 1 60 60 HIS H H 246 7.333 7.333 7.591 -0.258 17911 5354 1 10 . 1 1 61 61 VAL N N 247 118.215 118.215 119.798 -1.583 17911 5355 1 10 . 1 1 61 61 VAL HA H 247 3.400 3.400 3.609 -0.209 17911 5356 1 10 . 1 1 61 61 VAL CA C 247 67.257 67.257 66.655 0.602 17911 5357 1 10 . 1 1 61 61 VAL CB C 247 31.010 31.010 31.814 -0.804 17911 5358 1 10 . 1 1 61 61 VAL H H 247 7.565 7.565 8.494 -0.929 17911 5359 1 10 . 1 1 62 62 ASP N N 248 119.651 119.651 119.560 0.091 17911 5360 1 10 . 1 1 62 62 ASP HA H 248 4.358 4.358 4.370 -0.012 17911 5361 1 10 . 1 1 62 62 ASP CA C 248 57.557 57.557 57.393 0.164 17911 5362 1 10 . 1 1 62 62 ASP CB C 248 40.027 40.027 40.890 -0.863 17911 5363 1 10 . 1 1 62 62 ASP H H 248 8.142 8.142 8.159 -0.017 17911 5364 1 10 . 1 1 63 63 ILE N N 249 123.545 123.545 119.314 4.231 17911 5365 1 10 . 1 1 63 63 ILE HA H 249 3.756 3.756 3.766 -0.010 17911 5366 1 10 . 1 1 63 63 ILE CA C 249 64.832 64.832 63.837 0.996 17911 5367 1 10 . 1 1 63 63 ILE CB C 249 37.817 37.817 37.907 -0.090 17911 5368 1 10 . 1 1 63 63 ILE H H 249 8.017 8.017 7.374 0.643 17911 5369 1 10 . 1 1 64 64 LEU N N 250 117.125 117.125 118.296 -1.171 17911 5370 1 10 . 1 1 64 64 LEU HA H 250 4.094 4.094 4.208 -0.114 17911 5371 1 10 . 1 1 64 64 LEU CA C 250 55.004 55.004 55.795 -0.791 17911 5372 1 10 . 1 1 64 64 LEU CB C 250 42.662 42.662 41.156 1.506 17911 5373 1 10 . 1 1 64 64 LEU H H 250 7.217 7.217 7.749 -0.532 17911 5374 1 10 . 1 1 65 65 GLY N N 251 108.388 108.388 108.741 -0.353 17911 5375 1 10 . 1 1 65 65 GLY CA C 251 48.708 48.708 48.421 0.287 17911 5376 1 10 . 1 1 65 65 GLY H H 251 7.794 7.794 8.208 -0.414 17911 5377 1 10 . 1 1 66 66 PRO HA H 252 4.243 4.243 3.576 0.667 17911 5378 1 10 . 1 1 66 66 PRO CA C 252 66.036 66.036 64.985 1.051 17911 5379 1 10 . 1 1 66 66 PRO CB C 252 32.172 32.172 30.919 1.253 17911 5380 1 10 . 1 1 67 67 LEU N N 253 117.852 117.852 116.185 1.667 17911 5381 1 10 . 1 1 67 67 LEU HA H 253 3.866 3.866 4.028 -0.162 17911 5382 1 10 . 1 1 67 67 LEU CA C 253 57.301 57.301 56.622 0.679 17911 5383 1 10 . 1 1 67 67 LEU CB C 253 40.539 40.539 41.658 -1.119 17911 5384 1 10 . 1 1 67 67 LEU H H 253 7.344 7.344 7.695 -0.351 17911 5385 1 10 . 1 1 68 68 SER N N 254 117.191 117.191 115.570 1.621 17911 5386 1 10 . 1 1 68 68 SER HA H 254 4.154 4.154 3.982 0.172 17911 5387 1 10 . 1 1 68 68 SER CA C 254 60.705 60.705 60.774 -0.069 17911 5388 1 10 . 1 1 68 68 SER CB C 254 63.286 63.286 63.155 0.131 17911 5389 1 10 . 1 1 68 68 SER H H 254 7.883 7.883 7.832 0.051 17911 5390 1 10 . 1 1 69 69 ALA N N 255 123.895 123.895 123.747 0.148 17911 5391 1 10 . 1 1 69 69 ALA HA H 255 4.078 4.078 4.158 -0.080 17911 5392 1 10 . 1 1 69 69 ALA CA C 255 54.749 54.749 54.651 0.098 17911 5393 1 10 . 1 1 69 69 ALA CB C 255 17.992 17.992 18.277 -0.285 17911 5394 1 10 . 1 1 69 69 ALA H H 255 8.592 8.592 7.926 0.666 17911 5395 1 10 . 1 1 70 70 GLN N N 256 116.528 116.528 114.641 1.887 17911 5396 1 10 . 1 1 70 70 GLN HA H 256 4.011 4.011 4.215 -0.204 17911 5397 1 10 . 1 1 70 70 GLN CA C 256 58.634 58.634 57.561 1.073 17911 5398 1 10 . 1 1 70 70 GLN CB C 256 28.939 28.939 28.946 -0.007 17911 5399 1 10 . 1 1 70 70 GLN H H 256 7.744 7.744 7.952 -0.208 17911 5400 1 10 . 1 1 71 71 THR N N 257 103.056 103.056 105.717 -2.661 17911 5401 1 10 . 1 1 71 71 THR HA H 257 4.277 4.277 4.572 -0.295 17911 5402 1 10 . 1 1 71 71 THR CA C 257 62.236 62.236 61.752 0.485 17911 5403 1 10 . 1 1 71 71 THR CB C 257 72.277 72.277 72.004 0.273 17911 5404 1 10 . 1 1 71 71 THR H H 257 7.401 7.401 7.601 -0.200 17911 5405 1 10 . 1 1 72 72 GLY N N 258 111.697 111.697 111.821 -0.124 17911 5406 1 10 . 1 1 72 72 GLY CA C 258 45.900 45.900 45.868 0.032 17911 5407 1 10 . 1 1 72 72 GLY H H 258 8.113 8.113 8.576 -0.463 17911 5408 1 10 . 1 1 73 73 ILE N N 259 120.078 120.078 124.097 -4.019 17911 5409 1 10 . 1 1 73 73 ILE HA H 259 4.451 4.451 4.219 0.232 17911 5410 1 10 . 1 1 73 73 ILE CA C 259 58.903 58.903 59.057 -0.154 17911 5411 1 10 . 1 1 73 73 ILE CB C 259 38.497 38.497 36.120 2.377 17911 5412 1 10 . 1 1 73 73 ILE H H 259 7.598 7.598 7.698 -0.100 17911 5413 1 10 . 1 1 74 74 ALA N N 260 107.454 107.454 131.769 -24.315 17911 5414 1 10 . 1 1 74 74 ALA HA H 260 4.178 4.178 4.291 -0.113 17911 5415 1 10 . 1 1 74 74 ALA CA C 260 52.622 52.622 52.612 0.010 17911 5416 1 10 . 1 1 74 74 ALA CB C 260 18.417 18.417 19.509 -1.092 17911 5417 1 10 . 1 1 74 74 ALA H H 260 9.477 9.477 8.508 0.969 17911 5418 1 10 . 1 1 75 75 VAL N N 261 124.569 124.569 122.420 2.149 17911 5419 1 10 . 1 1 75 75 VAL HA H 261 4.095 4.095 3.904 0.191 17911 5420 1 10 . 1 1 75 75 VAL CA C 261 66.637 66.637 65.446 1.191 17911 5421 1 10 . 1 1 75 75 VAL CB C 261 31.575 31.575 31.651 -0.076 17911 5422 1 10 . 1 1 75 75 VAL H H 261 8.927 8.927 8.742 0.185 17911 5423 1 10 . 1 1 76 76 LEU N N 262 117.285 117.285 118.738 -1.453 17911 5424 1 10 . 1 1 76 76 LEU HA H 262 3.827 3.827 3.956 -0.129 17911 5425 1 10 . 1 1 76 76 LEU CA C 262 58.067 58.067 57.469 0.598 17911 5426 1 10 . 1 1 76 76 LEU CB C 262 39.774 39.774 40.901 -1.127 17911 5427 1 10 . 1 1 76 76 LEU H H 262 8.949 8.949 8.069 0.880 17911 5428 1 10 . 1 1 77 77 ASP N N 263 120.854 120.854 121.760 -0.906 17911 5429 1 10 . 1 1 77 77 ASP HA H 263 4.639 4.639 4.667 -0.028 17911 5430 1 10 . 1 1 77 77 ASP CA C 263 57.131 57.131 56.996 0.135 17911 5431 1 10 . 1 1 77 77 ASP CB C 263 39.178 39.178 41.132 -1.954 17911 5432 1 10 . 1 1 77 77 ASP H H 263 7.011 7.011 7.777 -0.766 17911 5433 1 10 . 1 1 78 78 MET N N 264 124.661 124.661 120.352 4.309 17911 5434 1 10 . 1 1 78 78 MET HA H 264 4.343 4.343 4.092 0.251 17911 5435 1 10 . 1 1 78 78 MET CA C 264 57.131 57.131 57.780 -0.649 17911 5436 1 10 . 1 1 78 78 MET CB C 264 31.172 31.172 31.887 -0.715 17911 5437 1 10 . 1 1 78 78 MET H H 264 8.025 8.025 8.078 -0.053 17911 5438 1 10 . 1 1 79 79 CYS N N 265 117.740 117.740 118.517 -0.777 17911 5439 1 10 . 1 1 79 79 CYS HA H 265 3.534 3.534 3.740 -0.206 17911 5440 1 10 . 1 1 79 79 CYS CA C 265 64.317 64.317 63.394 0.923 17911 5441 1 10 . 1 1 79 79 CYS CB C 265 25.564 25.564 25.991 -0.427 17911 5442 1 10 . 1 1 79 79 CYS H H 265 8.703 8.703 8.490 0.213 17911 5443 1 10 . 1 1 80 80 ALA N N 266 123.346 123.346 122.038 1.308 17911 5444 1 10 . 1 1 80 80 ALA HA H 266 3.884 3.884 4.098 -0.214 17911 5445 1 10 . 1 1 80 80 ALA CA C 266 55.174 55.174 54.923 0.251 17911 5446 1 10 . 1 1 80 80 ALA CB C 266 17.911 17.911 18.056 -0.145 17911 5447 1 10 . 1 1 80 80 ALA H H 266 7.745 7.745 8.085 -0.340 17911 5448 1 10 . 1 1 81 81 ALA N N 267 122.668 122.668 122.653 0.015 17911 5449 1 10 . 1 1 81 81 ALA HA H 267 4.236 4.236 4.167 0.069 17911 5450 1 10 . 1 1 81 81 ALA CA C 267 54.778 54.778 54.912 -0.134 17911 5451 1 10 . 1 1 81 81 ALA CB C 267 18.247 18.247 18.640 -0.393 17911 5452 1 10 . 1 1 81 81 ALA H H 267 7.513 7.513 8.280 -0.767 17911 5453 1 10 . 1 1 82 82 LEU N N 268 119.844 119.844 120.461 -0.617 17911 5454 1 10 . 1 1 82 82 LEU HA H 268 3.924 3.924 3.952 -0.028 17911 5455 1 10 . 1 1 82 82 LEU CA C 268 57.613 57.613 57.581 0.032 17911 5456 1 10 . 1 1 82 82 LEU CB C 268 40.681 40.681 41.406 -0.724 17911 5457 1 10 . 1 1 82 82 LEU H H 268 8.304 8.304 8.421 -0.117 17911 5458 1 10 . 1 1 83 83 LYS N N 269 119.140 119.140 118.469 0.671 17911 5459 1 10 . 1 1 83 83 LYS HA H 269 3.629 3.629 3.998 -0.369 17911 5460 1 10 . 1 1 83 83 LYS CA C 269 60.279 60.279 59.642 0.637 17911 5461 1 10 . 1 1 83 83 LYS CB C 269 33.052 33.052 32.478 0.574 17911 5462 1 10 . 1 1 83 83 LYS H H 269 8.881 8.881 8.545 0.336 17911 5463 1 10 . 1 1 84 84 GLU N N 270 116.647 116.647 117.518 -0.871 17911 5464 1 10 . 1 1 84 84 GLU HA H 270 4.085 4.085 4.327 -0.242 17911 5465 1 10 . 1 1 84 84 GLU CA C 270 58.903 58.903 57.885 1.018 17911 5466 1 10 . 1 1 84 84 GLU CB C 270 29.223 29.223 30.210 -0.987 17911 5467 1 10 . 1 1 84 84 GLU H H 270 7.107 7.107 7.651 -0.544 17911 5468 1 10 . 1 1 85 85 LEU N N 271 120.657 120.657 121.794 -1.137 17911 5469 1 10 . 1 1 85 85 LEU HA H 271 3.992 3.992 3.962 0.030 17911 5470 1 10 . 1 1 85 85 LEU CA C 271 57.872 57.872 58.191 -0.319 17911 5471 1 10 . 1 1 85 85 LEU CB C 271 42.326 42.326 41.670 0.656 17911 5472 1 10 . 1 1 85 85 LEU H H 271 7.757 7.757 8.560 -0.803 17911 5473 1 10 . 1 1 86 86 LEU N N 272 119.651 119.651 116.631 3.020 17911 5474 1 10 . 1 1 86 86 LEU HA H 272 3.535 3.535 3.734 -0.199 17911 5475 1 10 . 1 1 86 86 LEU CA C 272 57.356 57.356 56.917 0.439 17911 5476 1 10 . 1 1 86 86 LEU CB C 272 40.880 40.880 41.631 -0.751 17911 5477 1 10 . 1 1 86 86 LEU H H 272 8.336 8.336 8.291 0.045 17911 5478 1 10 . 1 1 87 87 GLN N N 273 113.087 113.087 114.967 -1.880 17911 5479 1 10 . 1 1 87 87 GLN HA H 273 4.099 4.099 4.214 -0.115 17911 5480 1 10 . 1 1 87 87 GLN CA C 273 58.387 58.387 56.594 1.793 17911 5481 1 10 . 1 1 87 87 GLN CB C 273 30.159 30.159 31.783 -1.624 17911 5482 1 10 . 1 1 87 87 GLN H H 273 7.422 7.422 7.777 -0.355 17911 5483 1 10 . 1 1 88 88 ASN N N 274 113.925 113.925 115.237 -1.312 17911 5484 1 10 . 1 1 88 88 ASN HA H 274 4.921 4.921 4.961 -0.040 17911 5485 1 10 . 1 1 88 88 ASN CA C 274 53.747 53.747 54.124 -0.377 17911 5486 1 10 . 1 1 88 88 ASN CB C 274 40.625 40.625 41.438 -0.813 17911 5487 1 10 . 1 1 88 88 ASN H H 274 8.388 8.388 8.539 -0.151 17911 5488 1 10 . 1 1 89 89 GLY N N 275 109.040 109.040 109.246 -0.206 17911 5489 1 10 . 1 1 89 89 GLY CA C 275 44.709 44.709 46.457 -1.748 17911 5490 1 10 . 1 1 89 89 GLY H H 275 7.698 7.698 8.428 -0.730 17911 5491 1 10 . 1 1 90 90 MET N N 276 115.183 115.183 117.461 -2.278 17911 5492 1 10 . 1 1 90 90 MET HA H 276 4.434 4.434 4.833 -0.399 17911 5493 1 10 . 1 1 90 90 MET CA C 276 56.791 56.791 54.018 2.773 17911 5494 1 10 . 1 1 90 90 MET CB C 276 33.637 33.637 32.763 0.874 17911 5495 1 10 . 1 1 90 90 MET H H 276 8.599 8.599 7.647 0.952 17911 5496 1 10 . 1 1 91 91 ASN N N 277 118.020 118.020 119.997 -1.977 17911 5497 1 10 . 1 1 91 91 ASN HA H 277 4.301 4.301 4.700 -0.399 17911 5498 1 10 . 1 1 91 91 ASN CA C 277 53.983 53.983 54.304 -0.321 17911 5499 1 10 . 1 1 91 91 ASN CB C 277 37.987 37.987 38.761 -0.774 17911 5500 1 10 . 1 1 91 91 ASN H H 277 9.033 9.033 7.896 1.137 17911 5501 1 10 . 1 1 92 92 GLY N N 278 104.906 104.906 105.972 -1.066 17911 5502 1 10 . 1 1 92 92 GLY CA C 278 45.645 45.645 45.350 0.295 17911 5503 1 10 . 1 1 92 92 GLY H H 278 8.538 8.538 8.213 0.325 17911 5504 1 10 . 1 1 93 93 ARG N N 279 120.056 120.056 120.210 -0.154 17911 5505 1 10 . 1 1 93 93 ARG HA H 279 4.237 4.237 4.701 -0.464 17911 5506 1 10 . 1 1 93 93 ARG CA C 279 55.344 55.344 53.712 1.633 17911 5507 1 10 . 1 1 93 93 ARG CB C 279 31.491 31.491 33.338 -1.847 17911 5508 1 10 . 1 1 93 93 ARG H H 279 7.257 7.257 8.035 -0.778 17911 5509 1 10 . 1 1 94 94 THR N N 280 106.223 106.223 112.169 -5.946 17911 5510 1 10 . 1 1 94 94 THR HA H 280 5.028 5.028 5.363 -0.335 17911 5511 1 10 . 1 1 94 94 THR CA C 280 59.684 59.684 61.217 -1.533 17911 5512 1 10 . 1 1 94 94 THR CB C 280 72.787 72.787 71.407 1.380 17911 5513 1 10 . 1 1 94 94 THR H H 280 7.726 7.726 8.223 -0.497 17911 5514 1 10 . 1 1 95 95 ILE N N 281 121.214 121.214 121.717 -0.503 17911 5515 1 10 . 1 1 95 95 ILE HA H 281 4.301 4.301 4.849 -0.548 17911 5516 1 10 . 1 1 95 95 ILE CA C 281 62.066 62.066 60.709 1.357 17911 5517 1 10 . 1 1 95 95 ILE CB C 281 40.539 40.539 41.671 -1.132 17911 5518 1 10 . 1 1 95 95 ILE H H 281 8.761 8.761 8.895 -0.134 17911 5519 1 10 . 1 1 96 96 LEU N N 282 128.347 128.347 125.388 2.959 17911 5520 1 10 . 1 1 96 96 LEU HA H 282 3.850 3.850 4.005 -0.155 17911 5521 1 10 . 1 1 96 96 LEU CA C 282 55.344 55.344 55.924 -0.580 17911 5522 1 10 . 1 1 96 96 LEU CB C 282 40.539 40.539 39.907 0.632 17911 5523 1 10 . 1 1 96 96 LEU H H 282 9.905 9.905 9.701 0.204 17911 5524 1 10 . 1 1 97 97 GLY N N 283 103.322 103.322 103.788 -0.466 17911 5525 1 10 . 1 1 97 97 GLY CA C 283 45.645 45.645 44.850 0.795 17911 5526 1 10 . 1 1 97 97 GLY H H 283 8.937 8.937 8.577 0.360 17911 5527 1 10 . 1 1 98 98 SER N N 284 116.619 116.619 115.687 0.932 17911 5528 1 10 . 1 1 98 98 SER HA H 284 4.950 4.950 4.986 -0.036 17911 5529 1 10 . 1 1 98 98 SER CA C 284 56.961 56.961 56.000 0.961 17911 5530 1 10 . 1 1 98 98 SER CB C 284 65.044 65.044 64.892 0.152 17911 5531 1 10 . 1 1 98 98 SER H H 284 8.612 8.612 8.010 0.602 17911 5532 1 10 . 1 1 99 99 THR N N 285 114.513 114.513 117.744 -3.231 17911 5533 1 10 . 1 1 99 99 THR HA H 285 4.598 4.598 4.636 -0.038 17911 5534 1 10 . 1 1 99 99 THR CA C 285 61.739 61.739 62.162 -0.423 17911 5535 1 10 . 1 1 99 99 THR CB C 285 69.214 69.214 68.701 0.513 17911 5536 1 10 . 1 1 99 99 THR H H 285 8.601 8.601 8.685 -0.084 17911 5537 1 10 . 1 1 100 100 ILE N N 286 117.511 117.511 115.889 1.622 17911 5538 1 10 . 1 1 100 100 ILE HA H 286 4.496 4.496 4.659 -0.163 17911 5539 1 10 . 1 1 100 100 ILE CA C 286 59.173 59.173 59.096 0.077 17911 5540 1 10 . 1 1 100 100 ILE CB C 286 41.887 41.887 40.839 1.048 17911 5541 1 10 . 1 1 100 100 ILE H H 286 7.931 7.931 7.331 0.600 17911 5542 1 10 . 1 1 101 101 LEU N N 287 121.101 121.101 117.212 3.889 17911 5543 1 10 . 1 1 101 101 LEU HA H 287 4.157 4.157 4.139 0.018 17911 5544 1 10 . 1 1 101 101 LEU CA C 287 54.520 54.520 53.343 1.177 17911 5545 1 10 . 1 1 101 101 LEU CB C 287 40.083 40.083 43.627 -3.544 17911 5546 1 10 . 1 1 101 101 LEU H H 287 8.025 8.025 8.217 -0.192 17911 5547 1 10 . 1 1 102 102 GLU HA H 288 3.720 3.720 4.172 -0.452 17911 5548 1 10 . 1 1 102 102 GLU CA C 288 55.770 55.770 54.213 1.557 17911 5549 1 10 . 1 1 102 102 GLU CB C 288 29.904 29.904 32.771 -2.867 17911 5550 1 10 . 1 1 103 103 ASP N N 289 121.287 121.287 119.156 2.131 17911 5551 1 10 . 1 1 103 103 ASP HA H 289 4.513 4.513 4.684 -0.171 17911 5552 1 10 . 1 1 103 103 ASP CA C 289 52.281 52.281 53.991 -1.710 17911 5553 1 10 . 1 1 103 103 ASP CB C 289 42.922 42.922 41.443 1.479 17911 5554 1 10 . 1 1 103 103 ASP H H 289 8.014 8.014 8.490 -0.476 17911 5555 1 10 . 1 1 104 104 GLU N N 290 118.245 118.245 119.216 -0.971 17911 5556 1 10 . 1 1 104 104 GLU HA H 290 3.904 3.904 4.189 -0.285 17911 5557 1 10 . 1 1 104 104 GLU CA C 290 57.614 57.614 57.742 -0.129 17911 5558 1 10 . 1 1 104 104 GLU CB C 290 30.499 30.499 29.765 0.734 17911 5559 1 10 . 1 1 104 104 GLU H H 290 7.432 7.432 8.564 -1.132 17911 5560 1 10 . 1 1 105 105 PHE N N 291 120.606 120.606 120.915 -0.309 17911 5561 1 10 . 1 1 105 105 PHE HA H 291 4.838 4.838 4.648 0.190 17911 5562 1 10 . 1 1 105 105 PHE CA C 291 56.536 56.536 57.456 -0.920 17911 5563 1 10 . 1 1 105 105 PHE CB C 291 39.774 39.774 39.630 0.144 17911 5564 1 10 . 1 1 105 105 PHE H H 291 8.835 8.835 7.970 0.865 17911 5565 1 10 . 1 1 106 106 THR N N 292 111.349 111.349 115.979 -4.630 17911 5566 1 10 . 1 1 106 106 THR HA H 292 4.670 4.670 4.480 0.190 17911 5567 1 10 . 1 1 106 106 THR CA C 292 59.344 59.344 60.004 -0.660 17911 5568 1 10 . 1 1 106 106 THR CB C 292 69.299 69.299 68.879 0.420 17911 5569 1 10 . 1 1 106 106 THR H H 292 8.757 8.757 8.429 0.328 17911 5570 1 10 . 1 1 107 107 PRO HA H 293 3.988 3.988 4.508 -0.520 17911 5571 1 10 . 1 1 107 107 PRO CA C 293 65.606 65.606 64.469 1.137 17911 5572 1 10 . 1 1 107 107 PRO CB C 293 31.321 31.321 32.334 -1.013 17911 5573 1 10 . 1 1 108 108 PHE N N 294 114.627 114.627 120.520 -5.893 17911 5574 1 10 . 1 1 108 108 PHE HA H 294 4.201 4.201 4.512 -0.311 17911 5575 1 10 . 1 1 108 108 PHE CA C 294 59.676 59.676 58.108 1.569 17911 5576 1 10 . 1 1 108 108 PHE CB C 294 38.582 38.582 40.489 -1.907 17911 5577 1 10 . 1 1 108 108 PHE H H 294 7.310 7.310 7.789 -0.479 17911 5578 1 10 . 1 1 109 109 ASP N N 295 120.210 120.210 119.189 1.021 17911 5579 1 10 . 1 1 109 109 ASP HA H 295 4.404 4.404 3.970 0.434 17911 5580 1 10 . 1 1 109 109 ASP CA C 295 57.098 57.098 56.239 0.859 17911 5581 1 10 . 1 1 109 109 ASP CB C 295 41.475 41.475 39.158 2.317 17911 5582 1 10 . 1 1 109 109 ASP H H 295 7.837 7.837 7.960 -0.123 17911 5583 1 10 . 1 1 110 110 VAL N N 296 119.070 119.070 119.906 -0.836 17911 5584 1 10 . 1 1 110 110 VAL HA H 296 3.602 3.602 3.801 -0.199 17911 5585 1 10 . 1 1 110 110 VAL CA C 296 66.491 66.491 64.828 1.663 17911 5586 1 10 . 1 1 110 110 VAL CB C 296 31.605 31.605 32.243 -0.638 17911 5587 1 10 . 1 1 110 110 VAL H H 296 7.945 7.945 7.947 -0.002 17911 5588 1 10 . 1 1 111 111 VAL N N 297 119.540 119.540 107.866 11.674 17911 5589 1 10 . 1 1 111 111 VAL HA H 297 3.601 3.601 4.345 -0.744 17911 5590 1 10 . 1 1 111 111 VAL CA C 297 66.379 66.379 60.397 5.982 17911 5591 1 10 . 1 1 111 111 VAL CB C 297 31.605 31.605 31.985 -0.380 17911 5592 1 10 . 1 1 111 111 VAL H H 297 8.109 8.109 7.359 0.750 17911 5593 1 10 . 1 1 112 112 ARG N N 298 119.680 119.680 122.679 -2.999 17911 5594 1 10 . 1 1 112 112 ARG HA H 298 4.010 4.010 3.741 0.269 17911 5595 1 10 . 1 1 112 112 ARG CA C 298 58.634 58.634 60.112 -1.478 17911 5596 1 10 . 1 1 112 112 ARG CB C 298 30.028 30.028 29.692 0.336 17911 5597 1 10 . 1 1 112 112 ARG H H 298 7.710 7.710 7.676 0.034 17911 5598 1 10 . 1 1 113 113 GLN N N 299 117.786 117.786 116.832 0.954 17911 5599 1 10 . 1 1 113 113 GLN HA H 299 4.158 4.158 4.153 0.005 17911 5600 1 10 . 1 1 113 113 GLN CA C 299 57.557 57.557 58.034 -0.477 17911 5601 1 10 . 1 1 113 113 GLN CB C 299 29.308 29.308 27.797 1.511 17911 5602 1 10 . 1 1 113 113 GLN H H 299 8.033 8.033 8.535 -0.502 17911 5603 1 10 . 1 1 114 114 CYS N N 300 115.786 115.786 117.632 -1.846 17911 5604 1 10 . 1 1 114 114 CYS HA H 300 4.470 4.470 4.394 0.076 17911 5605 1 10 . 1 1 114 114 CYS CA C 300 59.934 59.934 59.856 0.078 17911 5606 1 10 . 1 1 114 114 CYS CB C 300 28.293 28.293 28.598 -0.305 17911 5607 1 10 . 1 1 114 114 CYS H H 300 8.071 8.071 7.755 0.316 17911 5608 1 10 . 1 1 115 115 SER N N 301 116.258 116.258 112.922 3.336 17911 5609 1 10 . 1 1 115 115 SER HA H 301 4.407 4.407 4.464 -0.057 17911 5610 1 10 . 1 1 115 115 SER CA C 301 59.485 59.485 60.054 -0.569 17911 5611 1 10 . 1 1 115 115 SER CB C 301 63.286 63.286 64.328 -1.042 17911 5612 1 10 . 1 1 115 115 SER H H 301 7.883 7.883 8.412 -0.529 17911 5613 1 10 . 1 1 116 116 GLY N N 302 110.709 110.709 106.926 3.783 17911 5614 1 10 . 1 1 116 116 GLY CA C 302 45.239 45.239 44.999 0.240 17911 5615 1 10 . 1 1 116 116 GLY H H 302 8.355 8.355 7.961 0.394 17911 5616 1 10 . 1 1 117 117 VAL N N 303 119.189 119.189 118.077 1.112 17911 5617 1 10 . 1 1 117 117 VAL HA H 303 4.057 4.057 3.513 0.544 17911 5618 1 10 . 1 1 117 117 VAL CA C 303 62.236 62.236 65.310 -3.074 17911 5619 1 10 . 1 1 117 117 VAL CB C 303 32.626 32.626 30.230 2.396 17911 5620 1 10 . 1 1 117 117 VAL H H 303 7.710 7.710 8.578 -0.868 17911 5621 1 10 . 1 1 118 118 THR N N 304 118.009 118.009 115.573 2.436 17911 5622 1 10 . 1 1 118 118 THR HA H 304 4.279 4.279 3.959 0.320 17911 5623 1 10 . 1 1 118 118 THR CA C 304 61.556 61.556 65.288 -3.732 17911 5624 1 10 . 1 1 118 118 THR CB C 304 69.894 69.894 68.555 1.339 17911 5625 1 10 . 1 1 118 118 THR H H 304 8.109 8.109 7.681 0.428 17911 5626 1 10 . 1 1 119 119 PHE N N 305 123.287 123.287 119.504 3.783 17911 5627 1 10 . 1 1 119 119 PHE HA H 305 4.605 4.605 4.447 0.158 17911 5628 1 10 . 1 1 119 119 PHE CA C 305 57.727 57.727 59.644 -1.917 17911 5629 1 10 . 1 1 119 119 PHE CB C 305 39.859 39.859 39.194 0.665 17911 5630 1 10 . 1 1 119 119 PHE H H 305 8.298 8.298 7.839 0.459 17911 5631 1 11 . 1 1 2 2 ARG N N 188 121.886 121.886 120.348 1.538 17911 5632 1 11 . 1 1 2 2 ARG HA H 188 4.242 4.242 4.002 0.240 17911 5633 1 11 . 1 1 2 2 ARG CA C 188 56.487 56.487 59.313 -2.826 17911 5634 1 11 . 1 1 2 2 ARG CB C 188 30.857 30.857 30.057 0.800 17911 5635 1 11 . 1 1 2 2 ARG H H 188 8.475 8.475 8.643 -0.168 17911 5636 1 11 . 1 1 3 3 GLN N N 189 121.336 121.336 117.114 4.222 17911 5637 1 11 . 1 1 3 3 GLN HA H 189 4.302 4.302 4.244 0.058 17911 5638 1 11 . 1 1 3 3 GLN CA C 189 56.366 56.366 57.686 -1.320 17911 5639 1 11 . 1 1 3 3 GLN CB C 189 29.254 29.254 28.373 0.881 17911 5640 1 11 . 1 1 3 3 GLN H H 189 8.553 8.553 8.525 0.028 17911 5641 1 11 . 1 1 4 4 THR N N 190 115.273 115.273 108.792 6.481 17911 5642 1 11 . 1 1 4 4 THR HA H 190 4.275 4.275 4.565 -0.290 17911 5643 1 11 . 1 1 4 4 THR CA C 190 62.066 62.066 61.437 0.629 17911 5644 1 11 . 1 1 4 4 THR CB C 190 69.894 69.894 69.616 0.278 17911 5645 1 11 . 1 1 4 4 THR H H 190 8.123 8.123 7.981 0.142 17911 5646 1 11 . 1 1 5 5 ALA N N 191 126.029 126.029 123.358 2.671 17911 5647 1 11 . 1 1 5 5 ALA HA H 191 4.247 4.247 4.591 -0.344 17911 5648 1 11 . 1 1 5 5 ALA CA C 191 52.537 52.537 51.956 0.581 17911 5649 1 11 . 1 1 5 5 ALA CB C 191 19.183 19.183 20.913 -1.730 17911 5650 1 11 . 1 1 5 5 ALA H H 191 8.284 8.284 7.413 0.871 17911 5651 1 11 . 1 1 6 6 GLN N N 192 119.614 119.614 117.814 1.800 17911 5652 1 11 . 1 1 6 6 GLN HA H 192 4.217 4.217 4.617 -0.400 17911 5653 1 11 . 1 1 6 6 GLN CA C 192 55.685 55.685 54.865 0.820 17911 5654 1 11 . 1 1 6 6 GLN CB C 192 29.513 29.513 30.510 -0.997 17911 5655 1 11 . 1 1 6 6 GLN H H 192 8.287 8.287 8.298 -0.011 17911 5656 1 11 . 1 1 7 7 ALA N N 193 125.571 125.571 124.334 1.237 17911 5657 1 11 . 1 1 7 7 ALA HA H 193 4.246 4.246 4.081 0.165 17911 5658 1 11 . 1 1 7 7 ALA CA C 193 52.537 52.537 54.474 -1.938 17911 5659 1 11 . 1 1 7 7 ALA CB C 193 19.268 19.268 18.609 0.659 17911 5660 1 11 . 1 1 7 7 ALA H H 193 8.271 8.271 8.659 -0.388 17911 5661 1 11 . 1 1 8 8 ALA N N 194 123.461 123.461 121.551 1.910 17911 5662 1 11 . 1 1 8 8 ALA HA H 194 4.250 4.250 4.138 0.112 17911 5663 1 11 . 1 1 8 8 ALA CA C 194 52.593 52.593 53.929 -1.336 17911 5664 1 11 . 1 1 8 8 ALA CB C 194 19.324 19.324 18.243 1.081 17911 5665 1 11 . 1 1 8 8 ALA H H 194 8.275 8.275 8.314 -0.039 17911 5666 1 11 . 1 1 9 9 GLY N N 195 108.312 108.312 105.179 3.133 17911 5667 1 11 . 1 1 9 9 GLY CA C 195 45.219 45.219 45.828 -0.609 17911 5668 1 11 . 1 1 9 9 GLY H H 195 8.328 8.328 8.009 0.319 17911 5669 1 11 . 1 1 10 10 THR N N 196 112.710 112.710 116.446 -3.736 17911 5670 1 11 . 1 1 10 10 THR HA H 196 4.334 4.334 4.532 -0.198 17911 5671 1 11 . 1 1 10 10 THR CA C 196 61.471 61.471 61.533 -0.062 17911 5672 1 11 . 1 1 10 10 THR CB C 196 69.894 69.894 69.070 0.824 17911 5673 1 11 . 1 1 10 10 THR H H 196 7.998 7.998 7.633 0.365 17911 5674 1 11 . 1 1 11 11 ASP N N 197 122.862 122.862 122.338 0.524 17911 5675 1 11 . 1 1 11 11 ASP HA H 197 4.609 4.609 4.438 0.171 17911 5676 1 11 . 1 1 11 11 ASP CA C 197 54.262 54.262 53.736 0.527 17911 5677 1 11 . 1 1 11 11 ASP CB C 197 41.135 41.135 38.957 2.178 17911 5678 1 11 . 1 1 11 11 ASP H H 197 8.404 8.404 8.564 -0.160 17911 5679 1 11 . 1 1 12 12 THR N N 198 114.709 114.709 111.467 3.242 17911 5680 1 11 . 1 1 12 12 THR HA H 198 4.400 4.400 4.042 0.358 17911 5681 1 11 . 1 1 12 12 THR CA C 198 61.223 61.223 63.294 -2.071 17911 5682 1 11 . 1 1 12 12 THR CB C 198 70.490 70.490 68.287 2.203 17911 5683 1 11 . 1 1 12 12 THR H H 198 7.895 7.895 7.699 0.196 17911 5684 1 11 . 1 1 13 13 THR N N 199 122.785 122.785 115.842 6.943 17911 5685 1 11 . 1 1 13 13 THR HA H 199 3.961 3.961 4.678 -0.717 17911 5686 1 11 . 1 1 13 13 THR CA C 199 63.286 63.286 61.821 1.466 17911 5687 1 11 . 1 1 13 13 THR CB C 199 68.958 68.958 71.447 -2.489 17911 5688 1 11 . 1 1 13 13 THR H H 199 8.354 8.354 8.191 0.163 17911 5689 1 11 . 1 1 14 14 ILE N N 200 127.902 127.902 129.102 -1.200 17911 5690 1 11 . 1 1 14 14 ILE HA H 200 3.807 3.807 4.345 -0.538 17911 5691 1 11 . 1 1 14 14 ILE CA C 200 60.965 60.965 61.504 -0.539 17911 5692 1 11 . 1 1 14 14 ILE CB C 200 35.860 35.860 35.876 -0.016 17911 5693 1 11 . 1 1 14 14 ILE H H 200 9.362 9.362 9.316 0.046 17911 5694 1 11 . 1 1 15 15 THR N N 201 130.379 130.379 123.318 7.061 17911 5695 1 11 . 1 1 15 15 THR HA H 201 3.521 3.521 4.092 -0.571 17911 5696 1 11 . 1 1 15 15 THR CA C 201 66.637 66.637 66.859 -0.222 17911 5697 1 11 . 1 1 15 15 THR CB C 201 67.411 67.411 68.741 -1.330 17911 5698 1 11 . 1 1 15 15 THR H H 201 7.834 7.834 8.166 -0.332 17911 5699 1 11 . 1 1 16 16 LEU N N 202 120.049 120.049 121.294 -1.245 17911 5700 1 11 . 1 1 16 16 LEU HA H 202 3.715 3.715 4.114 -0.399 17911 5701 1 11 . 1 1 16 16 LEU CA C 202 58.387 58.387 58.600 -0.213 17911 5702 1 11 . 1 1 16 16 LEU CB C 202 43.148 43.148 41.715 1.433 17911 5703 1 11 . 1 1 16 16 LEU H H 202 8.913 8.913 8.488 0.425 17911 5704 1 11 . 1 1 17 17 ASN N N 203 117.390 117.390 117.557 -0.167 17911 5705 1 11 . 1 1 17 17 ASN HA H 203 4.594 4.594 4.865 -0.271 17911 5706 1 11 . 1 1 17 17 ASN CA C 203 54.520 54.520 55.487 -0.967 17911 5707 1 11 . 1 1 17 17 ASN CB C 203 37.246 37.246 38.135 -0.889 17911 5708 1 11 . 1 1 17 17 ASN H H 203 6.926 6.926 8.035 -1.109 17911 5709 1 11 . 1 1 18 18 VAL N N 204 123.434 123.434 122.574 0.860 17911 5710 1 11 . 1 1 18 18 VAL HA H 204 4.242 4.242 4.187 0.055 17911 5711 1 11 . 1 1 18 18 VAL CA C 204 66.236 66.236 66.378 -0.142 17911 5712 1 11 . 1 1 18 18 VAL CB C 204 31.605 31.605 31.500 0.105 17911 5713 1 11 . 1 1 18 18 VAL H H 204 7.660 7.660 7.995 -0.335 17911 5714 1 11 . 1 1 19 19 LEU N N 205 117.301 117.301 120.391 -3.090 17911 5715 1 11 . 1 1 19 19 LEU HA H 205 3.945 3.945 3.930 0.015 17911 5716 1 11 . 1 1 19 19 LEU CA C 205 58.408 58.408 58.465 -0.057 17911 5717 1 11 . 1 1 19 19 LEU CB C 205 42.918 42.918 41.060 1.858 17911 5718 1 11 . 1 1 19 19 LEU H H 205 8.573 8.573 8.815 -0.242 17911 5719 1 11 . 1 1 20 20 ALA N N 206 120.290 120.290 122.191 -1.901 17911 5720 1 11 . 1 1 20 20 ALA HA H 206 4.012 4.012 4.194 -0.182 17911 5721 1 11 . 1 1 20 20 ALA CA C 206 56.195 56.195 55.373 0.822 17911 5722 1 11 . 1 1 20 20 ALA CB C 206 17.911 17.911 18.368 -0.457 17911 5723 1 11 . 1 1 20 20 ALA H H 206 8.188 8.188 8.302 -0.114 17911 5724 1 11 . 1 1 21 21 TRP N N 207 121.219 121.219 120.980 0.239 17911 5725 1 11 . 1 1 21 21 TRP HA H 207 4.110 4.110 4.196 -0.086 17911 5726 1 11 . 1 1 21 21 TRP CA C 207 61.224 61.224 62.382 -1.158 17911 5727 1 11 . 1 1 21 21 TRP CB C 207 28.712 28.712 29.476 -0.764 17911 5728 1 11 . 1 1 21 21 TRP H H 207 8.406 8.406 8.390 0.016 17911 5729 1 11 . 1 1 22 22 LEU HA H 208 3.517 3.517 3.801 -0.284 17911 5730 1 11 . 1 1 22 22 LEU CA C 208 57.897 57.897 58.014 -0.117 17911 5731 1 11 . 1 1 22 22 LEU CB C 208 40.880 40.880 41.547 -0.667 17911 5732 1 11 . 1 1 22 22 LEU H H 208 8.620 8.620 8.830 -0.210 17911 5733 1 11 . 1 1 23 23 TYR N N 209 117.656 117.656 119.393 -1.737 17911 5734 1 11 . 1 1 23 23 TYR HA H 209 3.956 3.956 4.073 -0.117 17911 5735 1 11 . 1 1 23 23 TYR CA C 209 64.704 64.704 61.803 2.901 17911 5736 1 11 . 1 1 23 23 TYR CB C 209 38.793 38.793 37.673 1.120 17911 5737 1 11 . 1 1 23 23 TYR H H 209 8.368 8.368 8.674 -0.306 17911 5738 1 11 . 1 1 24 24 ALA N N 210 122.658 122.658 121.721 0.937 17911 5739 1 11 . 1 1 24 24 ALA HA H 210 3.837 3.837 3.818 0.019 17911 5740 1 11 . 1 1 24 24 ALA CA C 210 55.036 55.036 54.548 0.488 17911 5741 1 11 . 1 1 24 24 ALA CB C 210 17.311 17.311 17.992 -0.681 17911 5742 1 11 . 1 1 24 24 ALA H H 210 8.461 8.461 8.522 -0.061 17911 5743 1 11 . 1 1 25 25 ALA N N 211 123.868 123.868 121.462 2.406 17911 5744 1 11 . 1 1 25 25 ALA HA H 211 3.761 3.761 3.663 0.098 17911 5745 1 11 . 1 1 25 25 ALA CA C 211 55.551 55.551 54.716 0.835 17911 5746 1 11 . 1 1 25 25 ALA CB C 211 17.992 17.992 18.151 -0.159 17911 5747 1 11 . 1 1 25 25 ALA H H 211 8.564 8.564 7.576 0.988 17911 5748 1 11 . 1 1 26 26 VAL N N 212 119.783 119.783 118.832 0.951 17911 5749 1 11 . 1 1 26 26 VAL HA H 212 3.487 3.487 3.495 -0.008 17911 5750 1 11 . 1 1 26 26 VAL CA C 212 66.576 66.576 66.782 -0.206 17911 5751 1 11 . 1 1 26 26 VAL CB C 212 31.575 31.575 31.607 -0.032 17911 5752 1 11 . 1 1 26 26 VAL H H 212 8.008 8.008 7.589 0.419 17911 5753 1 11 . 1 1 27 27 ILE N N 213 124.428 124.428 117.197 7.231 17911 5754 1 11 . 1 1 27 27 ILE HA H 213 3.559 3.559 3.598 -0.039 17911 5755 1 11 . 1 1 27 27 ILE CA C 213 65.526 65.526 64.379 1.147 17911 5756 1 11 . 1 1 27 27 ILE CB C 213 37.902 37.902 37.099 0.803 17911 5757 1 11 . 1 1 27 27 ILE H H 213 8.576 8.576 8.402 0.174 17911 5758 1 11 . 1 1 28 28 ASN N N 214 116.563 116.563 115.747 0.816 17911 5759 1 11 . 1 1 28 28 ASN HA H 214 4.565 4.565 4.823 -0.258 17911 5760 1 11 . 1 1 28 28 ASN CA C 214 54.579 54.579 54.428 0.151 17911 5761 1 11 . 1 1 28 28 ASN CB C 214 40.340 40.340 41.424 -1.084 17911 5762 1 11 . 1 1 28 28 ASN H H 214 7.714 7.714 7.854 -0.140 17911 5763 1 11 . 1 1 29 29 GLY N N 215 107.004 107.004 108.060 -1.056 17911 5764 1 11 . 1 1 29 29 GLY CA C 215 45.683 45.683 45.342 0.341 17911 5765 1 11 . 1 1 29 29 GLY H H 215 7.861 7.861 8.491 -0.630 17911 5766 1 11 . 1 1 30 30 ASP N N 216 125.780 125.780 124.918 0.862 17911 5767 1 11 . 1 1 30 30 ASP HA H 216 5.019 5.019 4.604 0.414 17911 5768 1 11 . 1 1 30 30 ASP CA C 216 53.643 53.643 55.351 -1.708 17911 5769 1 11 . 1 1 30 30 ASP CB C 216 41.561 41.561 40.018 1.543 17911 5770 1 11 . 1 1 30 30 ASP H H 216 8.560 8.560 7.925 0.635 17911 5771 1 11 . 1 1 31 31 ARG N N 217 115.297 115.297 120.485 -5.188 17911 5772 1 11 . 1 1 31 31 ARG HA H 217 3.711 3.711 3.739 -0.028 17911 5773 1 11 . 1 1 31 31 ARG CA C 217 54.520 54.520 55.236 -0.716 17911 5774 1 11 . 1 1 31 31 ARG CB C 217 32.116 32.116 30.571 1.545 17911 5775 1 11 . 1 1 31 31 ARG H H 217 7.984 7.984 7.738 0.246 17911 5776 1 11 . 1 1 32 32 TRP N N 218 119.754 119.754 120.441 -0.687 17911 5777 1 11 . 1 1 32 32 TRP HA H 218 4.120 4.120 4.373 -0.253 17911 5778 1 11 . 1 1 32 32 TRP CA C 218 58.387 58.387 58.352 0.035 17911 5779 1 11 . 1 1 32 32 TRP CB C 218 28.372 28.372 28.714 -0.342 17911 5780 1 11 . 1 1 32 32 TRP H H 218 7.368 7.368 7.541 -0.173 17911 5781 1 11 . 1 1 33 33 PHE HA H 219 3.919 3.919 4.817 -0.898 17911 5782 1 11 . 1 1 33 33 PHE CA C 219 55.315 55.315 55.852 -0.537 17911 5783 1 11 . 1 1 33 33 PHE CB C 219 37.277 37.277 38.046 -0.769 17911 5784 1 11 . 1 1 34 34 LEU N N 220 122.632 122.632 121.620 1.012 17911 5785 1 11 . 1 1 34 34 LEU HA H 220 3.931 3.931 3.802 0.129 17911 5786 1 11 . 1 1 34 34 LEU CA C 220 55.315 55.315 55.293 0.022 17911 5787 1 11 . 1 1 34 34 LEU CB C 220 40.790 40.790 41.146 -0.356 17911 5788 1 11 . 1 1 34 34 LEU H H 220 6.447 6.447 6.995 -0.548 17911 5789 1 11 . 1 1 35 35 ASN N N 221 119.503 119.503 121.124 -1.621 17911 5790 1 11 . 1 1 35 35 ASN HA H 221 4.709 4.709 4.638 0.071 17911 5791 1 11 . 1 1 35 35 ASN CA C 221 52.026 52.026 52.047 -0.021 17911 5792 1 11 . 1 1 35 35 ASN CB C 221 40.598 40.598 41.057 -0.459 17911 5793 1 11 . 1 1 35 35 ASN H H 221 8.105 8.105 8.214 -0.109 17911 5794 1 11 . 1 1 36 36 ARG N N 222 116.408 116.408 119.390 -2.982 17911 5795 1 11 . 1 1 36 36 ARG HA H 222 4.293 4.293 4.540 -0.247 17911 5796 1 11 . 1 1 36 36 ARG CA C 222 55.600 55.600 55.532 0.068 17911 5797 1 11 . 1 1 36 36 ARG CB C 222 28.997 28.997 29.985 -0.988 17911 5798 1 11 . 1 1 36 36 ARG H H 222 8.099 8.099 8.277 -0.178 17911 5799 1 11 . 1 1 37 37 PHE N N 223 120.398 120.398 119.974 0.424 17911 5800 1 11 . 1 1 37 37 PHE HA H 223 4.813 4.813 4.535 0.278 17911 5801 1 11 . 1 1 37 37 PHE CA C 223 56.081 56.081 57.000 -0.919 17911 5802 1 11 . 1 1 37 37 PHE CB C 223 40.085 40.085 38.414 1.671 17911 5803 1 11 . 1 1 37 37 PHE H H 223 7.842 7.842 7.524 0.318 17911 5804 1 11 . 1 1 38 38 THR N N 224 112.040 112.040 113.706 -1.666 17911 5805 1 11 . 1 1 38 38 THR HA H 224 4.653 4.653 3.967 0.686 17911 5806 1 11 . 1 1 38 38 THR CA C 224 60.708 60.708 63.337 -2.630 17911 5807 1 11 . 1 1 38 38 THR CB C 224 71.000 71.000 67.469 3.531 17911 5808 1 11 . 1 1 38 38 THR H H 224 8.231 8.231 8.553 -0.322 17911 5809 1 11 . 1 1 39 39 THR N N 225 116.627 116.627 116.956 -0.329 17911 5810 1 11 . 1 1 39 39 THR HA H 225 4.925 4.925 4.195 0.730 17911 5811 1 11 . 1 1 39 39 THR CA C 225 59.677 59.677 63.321 -3.644 17911 5812 1 11 . 1 1 39 39 THR CB C 225 69.989 69.989 70.183 -0.195 17911 5813 1 11 . 1 1 39 39 THR H H 225 8.107 8.107 7.941 0.166 17911 5814 1 11 . 1 1 40 40 THR N N 226 111.263 111.263 117.456 -6.193 17911 5815 1 11 . 1 1 40 40 THR HA H 226 4.727 4.727 4.371 0.356 17911 5816 1 11 . 1 1 40 40 THR CA C 226 59.740 59.740 61.551 -1.811 17911 5817 1 11 . 1 1 40 40 THR CB C 226 72.052 72.052 70.174 1.878 17911 5818 1 11 . 1 1 40 40 THR H H 226 8.481 8.481 8.211 0.270 17911 5819 1 11 . 1 1 41 41 LEU N N 227 123.989 123.989 125.425 -1.436 17911 5820 1 11 . 1 1 41 41 LEU HA H 227 3.986 3.986 4.190 -0.204 17911 5821 1 11 . 1 1 41 41 LEU CA C 227 58.903 58.903 58.327 0.576 17911 5822 1 11 . 1 1 41 41 LEU CB C 227 41.561 41.561 42.157 -0.596 17911 5823 1 11 . 1 1 41 41 LEU H H 227 9.259 9.259 8.807 0.452 17911 5824 1 11 . 1 1 42 42 ASN N N 228 115.183 115.183 117.191 -2.008 17911 5825 1 11 . 1 1 42 42 ASN HA H 228 4.435 4.435 4.407 0.028 17911 5826 1 11 . 1 1 42 42 ASN CA C 228 56.961 56.961 57.373 -0.412 17911 5827 1 11 . 1 1 42 42 ASN CB C 228 38.497 38.497 38.164 0.333 17911 5828 1 11 . 1 1 42 42 ASN H H 228 8.598 8.598 8.497 0.101 17911 5829 1 11 . 1 1 43 43 ASP N N 229 118.746 118.746 120.415 -1.669 17911 5830 1 11 . 1 1 43 43 ASP HA H 229 4.367 4.367 4.413 -0.046 17911 5831 1 11 . 1 1 43 43 ASP CA C 229 57.387 57.387 57.354 0.033 17911 5832 1 11 . 1 1 43 43 ASP CB C 229 40.625 40.625 40.941 -0.316 17911 5833 1 11 . 1 1 43 43 ASP H H 229 7.847 7.847 7.909 -0.062 17911 5834 1 11 . 1 1 44 44 PHE N N 230 120.193 120.193 120.811 -0.618 17911 5835 1 11 . 1 1 44 44 PHE HA H 230 3.808 3.808 4.094 -0.286 17911 5836 1 11 . 1 1 44 44 PHE CA C 230 62.747 62.747 61.825 0.922 17911 5837 1 11 . 1 1 44 44 PHE CB C 230 38.753 38.753 39.159 -0.406 17911 5838 1 11 . 1 1 44 44 PHE H H 230 8.547 8.547 8.409 0.138 17911 5839 1 11 . 1 1 45 45 ASN N N 231 118.852 118.852 118.236 0.616 17911 5840 1 11 . 1 1 45 45 ASN HA H 231 4.472 4.472 4.223 0.249 17911 5841 1 11 . 1 1 45 45 ASN CA C 231 55.344 55.344 56.152 -0.808 17911 5842 1 11 . 1 1 45 45 ASN CB C 231 37.391 37.391 38.088 -0.697 17911 5843 1 11 . 1 1 45 45 ASN H H 231 8.727 8.727 8.492 0.235 17911 5844 1 11 . 1 1 46 46 LEU N N 232 120.221 120.221 120.942 -0.721 17911 5845 1 11 . 1 1 46 46 LEU HA H 232 4.065 4.065 3.966 0.099 17911 5846 1 11 . 1 1 46 46 LEU CA C 232 58.152 58.152 58.262 -0.110 17911 5847 1 11 . 1 1 46 46 LEU CB C 232 42.071 42.071 41.873 0.198 17911 5848 1 11 . 1 1 46 46 LEU H H 232 7.516 7.516 8.395 -0.879 17911 5849 1 11 . 1 1 47 47 VAL N N 233 119.649 119.649 118.643 1.006 17911 5850 1 11 . 1 1 47 47 VAL HA H 233 3.604 3.604 3.576 0.028 17911 5851 1 11 . 1 1 47 47 VAL CA C 233 65.864 65.864 65.935 -0.071 17911 5852 1 11 . 1 1 47 47 VAL CB C 233 31.575 31.575 30.893 0.682 17911 5853 1 11 . 1 1 47 47 VAL H H 233 6.987 6.987 8.018 -1.031 17911 5854 1 11 . 1 1 48 48 ALA N N 234 122.056 122.056 122.577 -0.521 17911 5855 1 11 . 1 1 48 48 ALA HA H 234 3.451 3.451 3.905 -0.454 17911 5856 1 11 . 1 1 48 48 ALA CA C 234 55.741 55.741 55.169 0.572 17911 5857 1 11 . 1 1 48 48 ALA CB C 234 16.971 16.971 18.098 -1.127 17911 5858 1 11 . 1 1 48 48 ALA H H 234 8.480 8.480 8.255 0.225 17911 5859 1 11 . 1 1 49 49 MET N N 235 114.180 114.180 117.781 -3.601 17911 5860 1 11 . 1 1 49 49 MET HA H 235 4.272 4.272 4.199 0.073 17911 5861 1 11 . 1 1 49 49 MET CA C 235 59.003 59.003 58.846 0.156 17911 5862 1 11 . 1 1 49 49 MET CB C 235 32.967 32.967 32.590 0.377 17911 5863 1 11 . 1 1 49 49 MET H H 235 7.950 7.950 8.248 -0.298 17911 5864 1 11 . 1 1 50 50 LYS N N 236 120.217 120.217 120.322 -0.105 17911 5865 1 11 . 1 1 50 50 LYS HA H 236 3.945 3.945 3.858 0.087 17911 5866 1 11 . 1 1 50 50 LYS CA C 236 58.378 58.378 58.641 -0.263 17911 5867 1 11 . 1 1 50 50 LYS CB C 236 31.833 31.833 32.338 -0.505 17911 5868 1 11 . 1 1 50 50 LYS H H 236 7.378 7.378 8.006 -0.628 17911 5869 1 11 . 1 1 51 51 TYR N N 237 115.853 115.853 116.720 -0.867 17911 5870 1 11 . 1 1 51 51 TYR HA H 237 4.462 4.462 4.716 -0.254 17911 5871 1 11 . 1 1 51 51 TYR CA C 237 58.293 58.293 57.039 1.254 17911 5872 1 11 . 1 1 51 51 TYR CB C 237 38.668 38.668 37.930 0.738 17911 5873 1 11 . 1 1 51 51 TYR H H 237 7.392 7.392 7.697 -0.305 17911 5874 1 11 . 1 1 52 52 ASN N N 238 115.965 115.965 114.723 1.242 17911 5875 1 11 . 1 1 52 52 ASN HA H 238 4.403 4.403 4.250 0.153 17911 5876 1 11 . 1 1 52 52 ASN CA C 238 54.834 54.834 54.565 0.269 17911 5877 1 11 . 1 1 52 52 ASN CB C 238 36.881 36.881 36.680 0.201 17911 5878 1 11 . 1 1 52 52 ASN H H 238 7.914 7.914 7.938 -0.024 17911 5879 1 11 . 1 1 53 53 TYR N N 239 120.379 120.379 119.714 0.665 17911 5880 1 11 . 1 1 53 53 TYR HA H 239 4.675 4.675 4.722 -0.047 17911 5881 1 11 . 1 1 53 53 TYR CA C 239 57.387 57.387 58.902 -1.515 17911 5882 1 11 . 1 1 53 53 TYR CB C 239 37.788 37.788 38.101 -0.313 17911 5883 1 11 . 1 1 53 53 TYR H H 239 8.341 8.341 8.141 0.200 17911 5884 1 11 . 1 1 54 54 GLU N N 240 122.559 122.559 124.233 -1.674 17911 5885 1 11 . 1 1 54 54 GLU HA H 240 4.317 4.317 4.196 0.121 17911 5886 1 11 . 1 1 54 54 GLU CA C 240 54.579 54.579 55.972 -1.393 17911 5887 1 11 . 1 1 54 54 GLU CB C 240 30.802 30.802 29.564 1.238 17911 5888 1 11 . 1 1 54 54 GLU H H 240 8.114 8.114 8.566 -0.452 17911 5889 1 11 . 1 1 55 55 PRO HA H 241 4.314 4.314 4.424 -0.110 17911 5890 1 11 . 1 1 55 55 PRO CA C 241 62.973 62.973 62.784 0.189 17911 5891 1 11 . 1 1 55 55 PRO CB C 241 31.917 31.917 32.477 -0.560 17911 5892 1 11 . 1 1 56 56 LEU N N 242 124.468 124.468 121.096 3.372 17911 5893 1 11 . 1 1 56 56 LEU HA H 242 5.200 5.200 4.733 0.467 17911 5894 1 11 . 1 1 56 56 LEU CA C 242 53.747 53.747 53.904 -0.157 17911 5895 1 11 . 1 1 56 56 LEU CB C 242 45.560 45.560 46.543 -0.983 17911 5896 1 11 . 1 1 56 56 LEU H H 242 9.650 9.650 9.113 0.537 17911 5897 1 11 . 1 1 57 57 THR N N 243 116.700 116.700 113.568 3.132 17911 5898 1 11 . 1 1 57 57 THR HA H 243 4.664 4.664 4.786 -0.122 17911 5899 1 11 . 1 1 57 57 THR CA C 243 59.429 59.429 59.911 -0.482 17911 5900 1 11 . 1 1 57 57 THR CB C 243 71.851 71.851 71.971 -0.120 17911 5901 1 11 . 1 1 57 57 THR H H 243 9.279 9.279 8.542 0.737 17911 5902 1 11 . 1 1 58 58 GLN N N 244 119.764 119.764 121.191 -1.427 17911 5903 1 11 . 1 1 58 58 GLN HA H 244 3.827 3.827 4.051 -0.224 17911 5904 1 11 . 1 1 58 58 GLN CA C 244 58.130 58.130 59.668 -1.538 17911 5905 1 11 . 1 1 58 58 GLN CB C 244 27.777 27.777 28.211 -0.434 17911 5906 1 11 . 1 1 58 58 GLN H H 244 8.959 8.959 8.961 -0.002 17911 5907 1 11 . 1 1 59 59 ASP N N 245 117.059 117.059 116.392 0.667 17911 5908 1 11 . 1 1 59 59 ASP HA H 245 4.325 4.325 4.323 0.002 17911 5909 1 11 . 1 1 59 59 ASP CA C 245 57.301 57.301 57.252 0.049 17911 5910 1 11 . 1 1 59 59 ASP CB C 245 40.029 40.029 40.340 -0.311 17911 5911 1 11 . 1 1 59 59 ASP H H 245 7.838 7.838 8.910 -1.072 17911 5912 1 11 . 1 1 60 60 HIS N N 246 119.076 119.076 119.172 -0.096 17911 5913 1 11 . 1 1 60 60 HIS HA H 246 4.296 4.296 4.454 -0.158 17911 5914 1 11 . 1 1 60 60 HIS CA C 246 58.645 58.645 58.963 -0.318 17911 5915 1 11 . 1 1 60 60 HIS CB C 246 32.864 32.864 30.089 2.775 17911 5916 1 11 . 1 1 60 60 HIS H H 246 7.333 7.333 7.364 -0.031 17911 5917 1 11 . 1 1 61 61 VAL N N 247 118.215 118.215 121.122 -2.907 17911 5918 1 11 . 1 1 61 61 VAL HA H 247 3.400 3.400 3.650 -0.250 17911 5919 1 11 . 1 1 61 61 VAL CA C 247 67.257 67.257 66.998 0.259 17911 5920 1 11 . 1 1 61 61 VAL CB C 247 31.010 31.010 31.563 -0.553 17911 5921 1 11 . 1 1 61 61 VAL H H 247 7.565 7.565 8.517 -0.952 17911 5922 1 11 . 1 1 62 62 ASP N N 248 119.651 119.651 119.680 -0.029 17911 5923 1 11 . 1 1 62 62 ASP HA H 248 4.358 4.358 4.301 0.057 17911 5924 1 11 . 1 1 62 62 ASP CA C 248 57.557 57.557 57.400 0.157 17911 5925 1 11 . 1 1 62 62 ASP CB C 248 40.027 40.027 40.939 -0.912 17911 5926 1 11 . 1 1 62 62 ASP H H 248 8.142 8.142 8.209 -0.067 17911 5927 1 11 . 1 1 63 63 ILE N N 249 123.545 123.545 119.024 4.521 17911 5928 1 11 . 1 1 63 63 ILE HA H 249 3.756 3.756 3.705 0.051 17911 5929 1 11 . 1 1 63 63 ILE CA C 249 64.832 64.832 64.143 0.689 17911 5930 1 11 . 1 1 63 63 ILE CB C 249 37.817 37.817 37.944 -0.127 17911 5931 1 11 . 1 1 63 63 ILE H H 249 8.017 8.017 7.424 0.593 17911 5932 1 11 . 1 1 64 64 LEU N N 250 117.125 117.125 118.742 -1.617 17911 5933 1 11 . 1 1 64 64 LEU HA H 250 4.094 4.094 4.459 -0.365 17911 5934 1 11 . 1 1 64 64 LEU CA C 250 55.004 55.004 55.593 -0.589 17911 5935 1 11 . 1 1 64 64 LEU CB C 250 42.662 42.662 40.995 1.667 17911 5936 1 11 . 1 1 64 64 LEU H H 250 7.217 7.217 7.732 -0.515 17911 5937 1 11 . 1 1 65 65 GLY N N 251 108.388 108.388 108.789 -0.401 17911 5938 1 11 . 1 1 65 65 GLY CA C 251 48.708 48.708 47.557 1.151 17911 5939 1 11 . 1 1 65 65 GLY H H 251 7.794 7.794 7.962 -0.168 17911 5940 1 11 . 1 1 66 66 PRO HA H 252 4.243 4.243 4.159 0.084 17911 5941 1 11 . 1 1 66 66 PRO CA C 252 66.036 66.036 65.552 0.484 17911 5942 1 11 . 1 1 66 66 PRO CB C 252 32.172 32.172 31.352 0.820 17911 5943 1 11 . 1 1 67 67 LEU N N 253 117.852 117.852 116.610 1.242 17911 5944 1 11 . 1 1 67 67 LEU HA H 253 3.866 3.866 3.947 -0.081 17911 5945 1 11 . 1 1 67 67 LEU CA C 253 57.301 57.301 56.797 0.504 17911 5946 1 11 . 1 1 67 67 LEU CB C 253 40.539 40.539 41.033 -0.494 17911 5947 1 11 . 1 1 67 67 LEU H H 253 7.344 7.344 7.769 -0.425 17911 5948 1 11 . 1 1 68 68 SER N N 254 117.191 117.191 115.195 1.996 17911 5949 1 11 . 1 1 68 68 SER HA H 254 4.154 4.154 4.283 -0.129 17911 5950 1 11 . 1 1 68 68 SER CA C 254 60.705 60.705 60.896 -0.191 17911 5951 1 11 . 1 1 68 68 SER CB C 254 63.286 63.286 63.095 0.191 17911 5952 1 11 . 1 1 68 68 SER H H 254 7.883 7.883 7.600 0.283 17911 5953 1 11 . 1 1 69 69 ALA N N 255 123.895 123.895 123.874 0.021 17911 5954 1 11 . 1 1 69 69 ALA HA H 255 4.078 4.078 4.185 -0.107 17911 5955 1 11 . 1 1 69 69 ALA CA C 255 54.749 54.749 54.723 0.026 17911 5956 1 11 . 1 1 69 69 ALA CB C 255 17.992 17.992 18.108 -0.116 17911 5957 1 11 . 1 1 69 69 ALA H H 255 8.592 8.592 8.273 0.319 17911 5958 1 11 . 1 1 70 70 GLN N N 256 116.528 116.528 116.881 -0.353 17911 5959 1 11 . 1 1 70 70 GLN HA H 256 4.011 4.011 4.134 -0.123 17911 5960 1 11 . 1 1 70 70 GLN CA C 256 58.634 58.634 58.197 0.437 17911 5961 1 11 . 1 1 70 70 GLN CB C 256 28.939 28.939 29.033 -0.094 17911 5962 1 11 . 1 1 70 70 GLN H H 256 7.744 7.744 7.718 0.026 17911 5963 1 11 . 1 1 71 71 THR N N 257 103.056 103.056 106.278 -3.222 17911 5964 1 11 . 1 1 71 71 THR HA H 257 4.277 4.277 4.536 -0.259 17911 5965 1 11 . 1 1 71 71 THR CA C 257 62.236 62.236 61.763 0.473 17911 5966 1 11 . 1 1 71 71 THR CB C 257 72.277 72.277 71.116 1.161 17911 5967 1 11 . 1 1 71 71 THR H H 257 7.401 7.401 7.616 -0.215 17911 5968 1 11 . 1 1 72 72 GLY N N 258 111.697 111.697 111.996 -0.299 17911 5969 1 11 . 1 1 72 72 GLY CA C 258 45.900 45.900 45.756 0.144 17911 5970 1 11 . 1 1 72 72 GLY H H 258 8.113 8.113 8.254 -0.141 17911 5971 1 11 . 1 1 73 73 ILE N N 259 120.078 120.078 122.877 -2.799 17911 5972 1 11 . 1 1 73 73 ILE HA H 259 4.451 4.451 4.274 0.177 17911 5973 1 11 . 1 1 73 73 ILE CA C 259 58.903 58.903 60.089 -1.186 17911 5974 1 11 . 1 1 73 73 ILE CB C 259 38.497 38.497 38.604 -0.107 17911 5975 1 11 . 1 1 73 73 ILE H H 259 7.598 7.598 7.562 0.036 17911 5976 1 11 . 1 1 74 74 ALA N N 260 107.454 107.454 131.736 -24.282 17911 5977 1 11 . 1 1 74 74 ALA HA H 260 4.178 4.178 4.296 -0.118 17911 5978 1 11 . 1 1 74 74 ALA CA C 260 52.622 52.622 52.344 0.278 17911 5979 1 11 . 1 1 74 74 ALA CB C 260 18.417 18.417 19.420 -1.003 17911 5980 1 11 . 1 1 74 74 ALA H H 260 9.477 9.477 8.737 0.740 17911 5981 1 11 . 1 1 75 75 VAL N N 261 124.569 124.569 122.521 2.048 17911 5982 1 11 . 1 1 75 75 VAL HA H 261 4.095 4.095 3.870 0.225 17911 5983 1 11 . 1 1 75 75 VAL CA C 261 66.637 66.637 65.609 1.028 17911 5984 1 11 . 1 1 75 75 VAL CB C 261 31.575 31.575 31.474 0.101 17911 5985 1 11 . 1 1 75 75 VAL H H 261 8.927 8.927 8.769 0.158 17911 5986 1 11 . 1 1 76 76 LEU N N 262 117.285 117.285 118.872 -1.587 17911 5987 1 11 . 1 1 76 76 LEU HA H 262 3.827 3.827 3.941 -0.114 17911 5988 1 11 . 1 1 76 76 LEU CA C 262 58.067 58.067 57.358 0.709 17911 5989 1 11 . 1 1 76 76 LEU CB C 262 39.774 39.774 40.931 -1.157 17911 5990 1 11 . 1 1 76 76 LEU H H 262 8.949 8.949 8.142 0.807 17911 5991 1 11 . 1 1 77 77 ASP N N 263 120.854 120.854 120.691 0.163 17911 5992 1 11 . 1 1 77 77 ASP HA H 263 4.639 4.639 4.428 0.211 17911 5993 1 11 . 1 1 77 77 ASP CA C 263 57.131 57.131 57.041 0.090 17911 5994 1 11 . 1 1 77 77 ASP CB C 263 39.178 39.178 40.472 -1.294 17911 5995 1 11 . 1 1 77 77 ASP H H 263 7.011 7.011 7.902 -0.891 17911 5996 1 11 . 1 1 78 78 MET N N 264 124.661 124.661 121.066 3.595 17911 5997 1 11 . 1 1 78 78 MET HA H 264 4.343 4.343 4.037 0.306 17911 5998 1 11 . 1 1 78 78 MET CA C 264 57.131 57.131 57.715 -0.584 17911 5999 1 11 . 1 1 78 78 MET CB C 264 31.172 31.172 31.758 -0.585 17911 6000 1 11 . 1 1 78 78 MET H H 264 8.025 8.025 7.803 0.222 17911 6001 1 11 . 1 1 79 79 CYS N N 265 117.740 117.740 118.533 -0.793 17911 6002 1 11 . 1 1 79 79 CYS HA H 265 3.534 3.534 3.688 -0.154 17911 6003 1 11 . 1 1 79 79 CYS CA C 265 64.317 64.317 63.587 0.730 17911 6004 1 11 . 1 1 79 79 CYS CB C 265 25.564 25.564 25.953 -0.389 17911 6005 1 11 . 1 1 79 79 CYS H H 265 8.703 8.703 8.511 0.192 17911 6006 1 11 . 1 1 80 80 ALA N N 266 123.346 123.346 122.311 1.035 17911 6007 1 11 . 1 1 80 80 ALA HA H 266 3.884 3.884 4.058 -0.174 17911 6008 1 11 . 1 1 80 80 ALA CA C 266 55.174 55.174 55.382 -0.208 17911 6009 1 11 . 1 1 80 80 ALA CB C 266 17.911 17.911 18.044 -0.133 17911 6010 1 11 . 1 1 80 80 ALA H H 266 7.745 7.745 8.098 -0.353 17911 6011 1 11 . 1 1 81 81 ALA N N 267 122.668 122.668 122.432 0.236 17911 6012 1 11 . 1 1 81 81 ALA HA H 267 4.236 4.236 4.248 -0.012 17911 6013 1 11 . 1 1 81 81 ALA CA C 267 54.778 54.778 54.914 -0.137 17911 6014 1 11 . 1 1 81 81 ALA CB C 267 18.247 18.247 18.476 -0.229 17911 6015 1 11 . 1 1 81 81 ALA H H 267 7.513 7.513 8.148 -0.635 17911 6016 1 11 . 1 1 82 82 LEU N N 268 119.844 119.844 120.480 -0.636 17911 6017 1 11 . 1 1 82 82 LEU HA H 268 3.924 3.924 3.873 0.051 17911 6018 1 11 . 1 1 82 82 LEU CA C 268 57.613 57.613 58.203 -0.590 17911 6019 1 11 . 1 1 82 82 LEU CB C 268 40.681 40.681 41.950 -1.269 17911 6020 1 11 . 1 1 82 82 LEU H H 268 8.304 8.304 8.543 -0.239 17911 6021 1 11 . 1 1 83 83 LYS N N 269 119.140 119.140 119.649 -0.509 17911 6022 1 11 . 1 1 83 83 LYS HA H 269 3.629 3.629 3.877 -0.248 17911 6023 1 11 . 1 1 83 83 LYS CA C 269 60.279 60.279 60.294 -0.015 17911 6024 1 11 . 1 1 83 83 LYS CB C 269 33.052 33.052 32.469 0.583 17911 6025 1 11 . 1 1 83 83 LYS H H 269 8.881 8.881 8.589 0.292 17911 6026 1 11 . 1 1 84 84 GLU N N 270 116.647 116.647 119.370 -2.723 17911 6027 1 11 . 1 1 84 84 GLU HA H 270 4.085 4.085 4.200 -0.115 17911 6028 1 11 . 1 1 84 84 GLU CA C 270 58.903 58.903 59.445 -0.542 17911 6029 1 11 . 1 1 84 84 GLU CB C 270 29.223 29.223 29.643 -0.420 17911 6030 1 11 . 1 1 84 84 GLU H H 270 7.107 7.107 8.372 -1.265 17911 6031 1 11 . 1 1 85 85 LEU N N 271 120.657 120.657 119.773 0.884 17911 6032 1 11 . 1 1 85 85 LEU HA H 271 3.992 3.992 4.067 -0.075 17911 6033 1 11 . 1 1 85 85 LEU CA C 271 57.872 57.872 57.311 0.561 17911 6034 1 11 . 1 1 85 85 LEU CB C 271 42.326 42.326 41.853 0.473 17911 6035 1 11 . 1 1 85 85 LEU H H 271 7.757 7.757 8.144 -0.387 17911 6036 1 11 . 1 1 86 86 LEU N N 272 119.651 119.651 117.512 2.139 17911 6037 1 11 . 1 1 86 86 LEU HA H 272 3.535 3.535 3.845 -0.310 17911 6038 1 11 . 1 1 86 86 LEU CA C 272 57.356 57.356 57.032 0.324 17911 6039 1 11 . 1 1 86 86 LEU CB C 272 40.880 40.880 41.907 -1.027 17911 6040 1 11 . 1 1 86 86 LEU H H 272 8.336 8.336 7.951 0.385 17911 6041 1 11 . 1 1 87 87 GLN N N 273 113.087 113.087 116.736 -3.649 17911 6042 1 11 . 1 1 87 87 GLN HA H 273 4.099 4.099 4.128 -0.029 17911 6043 1 11 . 1 1 87 87 GLN CA C 273 58.387 58.387 58.089 0.298 17911 6044 1 11 . 1 1 87 87 GLN CB C 273 30.159 30.159 29.830 0.329 17911 6045 1 11 . 1 1 87 87 GLN H H 273 7.422 7.422 8.392 -0.970 17911 6046 1 11 . 1 1 88 88 ASN N N 274 113.925 113.925 113.518 0.407 17911 6047 1 11 . 1 1 88 88 ASN HA H 274 4.921 4.921 4.928 -0.007 17911 6048 1 11 . 1 1 88 88 ASN CA C 274 53.747 53.747 53.776 -0.029 17911 6049 1 11 . 1 1 88 88 ASN CB C 274 40.625 40.625 41.834 -1.209 17911 6050 1 11 . 1 1 88 88 ASN H H 274 8.388 8.388 8.496 -0.108 17911 6051 1 11 . 1 1 89 89 GLY N N 275 109.040 109.040 108.747 0.293 17911 6052 1 11 . 1 1 89 89 GLY CA C 275 44.709 44.709 44.398 0.311 17911 6053 1 11 . 1 1 89 89 GLY H H 275 7.698 7.698 8.126 -0.428 17911 6054 1 11 . 1 1 90 90 MET N N 276 115.183 115.183 118.148 -2.965 17911 6055 1 11 . 1 1 90 90 MET HA H 276 4.434 4.434 4.174 0.260 17911 6056 1 11 . 1 1 90 90 MET CA C 276 56.791 56.791 56.123 0.668 17911 6057 1 11 . 1 1 90 90 MET CB C 276 33.637 33.637 32.147 1.490 17911 6058 1 11 . 1 1 90 90 MET H H 276 8.599 8.599 8.505 0.094 17911 6059 1 11 . 1 1 91 91 ASN N N 277 118.020 118.020 116.569 1.451 17911 6060 1 11 . 1 1 91 91 ASN HA H 277 4.301 4.301 4.660 -0.359 17911 6061 1 11 . 1 1 91 91 ASN CA C 277 53.983 53.983 53.809 0.174 17911 6062 1 11 . 1 1 91 91 ASN CB C 277 37.987 37.987 38.127 -0.140 17911 6063 1 11 . 1 1 91 91 ASN H H 277 9.033 9.033 8.305 0.728 17911 6064 1 11 . 1 1 92 92 GLY N N 278 104.906 104.906 108.403 -3.497 17911 6065 1 11 . 1 1 92 92 GLY CA C 278 45.645 45.645 44.871 0.774 17911 6066 1 11 . 1 1 92 92 GLY H H 278 8.538 8.538 8.225 0.313 17911 6067 1 11 . 1 1 93 93 ARG N N 279 120.056 120.056 122.083 -2.027 17911 6068 1 11 . 1 1 93 93 ARG HA H 279 4.237 4.237 4.206 0.031 17911 6069 1 11 . 1 1 93 93 ARG CA C 279 55.344 55.344 56.415 -1.071 17911 6070 1 11 . 1 1 93 93 ARG CB C 279 31.491 31.491 30.477 1.014 17911 6071 1 11 . 1 1 93 93 ARG H H 279 7.257 7.257 8.069 -0.812 17911 6072 1 11 . 1 1 94 94 THR N N 280 106.223 106.223 111.083 -4.860 17911 6073 1 11 . 1 1 94 94 THR HA H 280 5.028 5.028 5.206 -0.178 17911 6074 1 11 . 1 1 94 94 THR CA C 280 59.684 59.684 60.575 -0.891 17911 6075 1 11 . 1 1 94 94 THR CB C 280 72.787 72.787 71.537 1.250 17911 6076 1 11 . 1 1 94 94 THR H H 280 7.726 7.726 8.238 -0.512 17911 6077 1 11 . 1 1 95 95 ILE N N 281 121.214 121.214 120.746 0.468 17911 6078 1 11 . 1 1 95 95 ILE HA H 281 4.301 4.301 4.537 -0.236 17911 6079 1 11 . 1 1 95 95 ILE CA C 281 62.066 62.066 60.646 1.420 17911 6080 1 11 . 1 1 95 95 ILE CB C 281 40.539 40.539 41.376 -0.837 17911 6081 1 11 . 1 1 95 95 ILE H H 281 8.761 8.761 8.867 -0.106 17911 6082 1 11 . 1 1 96 96 LEU N N 282 128.347 128.347 125.221 3.126 17911 6083 1 11 . 1 1 96 96 LEU HA H 282 3.850 3.850 3.879 -0.029 17911 6084 1 11 . 1 1 96 96 LEU CA C 282 55.344 55.344 55.825 -0.481 17911 6085 1 11 . 1 1 96 96 LEU CB C 282 40.539 40.539 39.642 0.897 17911 6086 1 11 . 1 1 96 96 LEU H H 282 9.905 9.905 9.578 0.327 17911 6087 1 11 . 1 1 97 97 GLY N N 283 103.322 103.322 103.123 0.199 17911 6088 1 11 . 1 1 97 97 GLY CA C 283 45.645 45.645 44.731 0.914 17911 6089 1 11 . 1 1 97 97 GLY H H 283 8.937 8.937 8.676 0.261 17911 6090 1 11 . 1 1 98 98 SER N N 284 116.619 116.619 116.299 0.320 17911 6091 1 11 . 1 1 98 98 SER HA H 284 4.950 4.950 4.956 -0.006 17911 6092 1 11 . 1 1 98 98 SER CA C 284 56.961 56.961 57.036 -0.075 17911 6093 1 11 . 1 1 98 98 SER CB C 284 65.044 65.044 65.997 -0.953 17911 6094 1 11 . 1 1 98 98 SER H H 284 8.612 8.612 8.106 0.506 17911 6095 1 11 . 1 1 99 99 THR N N 285 114.513 114.513 113.874 0.639 17911 6096 1 11 . 1 1 99 99 THR HA H 285 4.598 4.598 4.310 0.288 17911 6097 1 11 . 1 1 99 99 THR CA C 285 61.739 61.739 62.889 -1.150 17911 6098 1 11 . 1 1 99 99 THR CB C 285 69.214 69.214 69.211 0.003 17911 6099 1 11 . 1 1 99 99 THR H H 285 8.601 8.601 8.722 -0.121 17911 6100 1 11 . 1 1 100 100 ILE N N 286 117.511 117.511 115.441 2.070 17911 6101 1 11 . 1 1 100 100 ILE HA H 286 4.496 4.496 4.559 -0.063 17911 6102 1 11 . 1 1 100 100 ILE CA C 286 59.173 59.173 58.659 0.514 17911 6103 1 11 . 1 1 100 100 ILE CB C 286 41.887 41.887 41.024 0.863 17911 6104 1 11 . 1 1 100 100 ILE H H 286 7.931 7.931 7.119 0.812 17911 6105 1 11 . 1 1 101 101 LEU N N 287 121.101 121.101 117.890 3.211 17911 6106 1 11 . 1 1 101 101 LEU HA H 287 4.157 4.157 4.026 0.131 17911 6107 1 11 . 1 1 101 101 LEU CA C 287 54.520 54.520 53.813 0.707 17911 6108 1 11 . 1 1 101 101 LEU CB C 287 40.083 40.083 42.851 -2.768 17911 6109 1 11 . 1 1 101 101 LEU H H 287 8.025 8.025 8.155 -0.130 17911 6110 1 11 . 1 1 102 102 GLU HA H 288 3.720 3.720 4.302 -0.582 17911 6111 1 11 . 1 1 102 102 GLU CA C 288 55.770 55.770 54.318 1.452 17911 6112 1 11 . 1 1 102 102 GLU CB C 288 29.904 29.904 32.808 -2.904 17911 6113 1 11 . 1 1 103 103 ASP N N 289 121.287 121.287 117.985 3.302 17911 6114 1 11 . 1 1 103 103 ASP HA H 289 4.513 4.513 4.723 -0.210 17911 6115 1 11 . 1 1 103 103 ASP CA C 289 52.281 52.281 53.942 -1.661 17911 6116 1 11 . 1 1 103 103 ASP CB C 289 42.922 42.922 40.880 2.042 17911 6117 1 11 . 1 1 103 103 ASP H H 289 8.014 8.014 8.522 -0.508 17911 6118 1 11 . 1 1 104 104 GLU N N 290 118.245 118.245 118.375 -0.130 17911 6119 1 11 . 1 1 104 104 GLU HA H 290 3.904 3.904 4.286 -0.382 17911 6120 1 11 . 1 1 104 104 GLU CA C 290 57.614 57.614 56.672 0.942 17911 6121 1 11 . 1 1 104 104 GLU CB C 290 30.499 30.499 29.741 0.758 17911 6122 1 11 . 1 1 104 104 GLU H H 290 7.432 7.432 8.459 -1.027 17911 6123 1 11 . 1 1 105 105 PHE N N 291 120.606 120.606 118.509 2.097 17911 6124 1 11 . 1 1 105 105 PHE HA H 291 4.838 4.838 4.771 0.067 17911 6125 1 11 . 1 1 105 105 PHE CA C 291 56.536 56.536 56.600 -0.064 17911 6126 1 11 . 1 1 105 105 PHE CB C 291 39.774 39.774 41.568 -1.794 17911 6127 1 11 . 1 1 105 105 PHE H H 291 8.835 8.835 7.643 1.192 17911 6128 1 11 . 1 1 106 106 THR N N 292 111.349 111.349 117.895 -6.546 17911 6129 1 11 . 1 1 106 106 THR HA H 292 4.670 4.670 4.477 0.193 17911 6130 1 11 . 1 1 106 106 THR CA C 292 59.344 59.344 60.228 -0.884 17911 6131 1 11 . 1 1 106 106 THR CB C 292 69.299 69.299 69.820 -0.521 17911 6132 1 11 . 1 1 106 106 THR H H 292 8.757 8.757 8.657 0.100 17911 6133 1 11 . 1 1 107 107 PRO HA H 293 3.988 3.988 4.486 -0.498 17911 6134 1 11 . 1 1 107 107 PRO CA C 293 65.606 65.606 64.949 0.657 17911 6135 1 11 . 1 1 107 107 PRO CB C 293 31.321 31.321 32.368 -1.047 17911 6136 1 11 . 1 1 108 108 PHE N N 294 114.627 114.627 117.381 -2.754 17911 6137 1 11 . 1 1 108 108 PHE HA H 294 4.201 4.201 4.756 -0.555 17911 6138 1 11 . 1 1 108 108 PHE CA C 294 59.676 59.676 58.611 1.065 17911 6139 1 11 . 1 1 108 108 PHE CB C 294 38.582 38.582 40.577 -1.995 17911 6140 1 11 . 1 1 108 108 PHE H H 294 7.310 7.310 7.854 -0.544 17911 6141 1 11 . 1 1 109 109 ASP N N 295 120.210 120.210 118.896 1.314 17911 6142 1 11 . 1 1 109 109 ASP HA H 295 4.404 4.404 4.708 -0.304 17911 6143 1 11 . 1 1 109 109 ASP CA C 295 57.098 57.098 53.481 3.617 17911 6144 1 11 . 1 1 109 109 ASP CB C 295 41.475 41.475 40.952 0.523 17911 6145 1 11 . 1 1 109 109 ASP H H 295 7.837 7.837 7.872 -0.035 17911 6146 1 11 . 1 1 110 110 VAL N N 296 119.070 119.070 121.173 -2.103 17911 6147 1 11 . 1 1 110 110 VAL HA H 296 3.602 3.602 4.335 -0.733 17911 6148 1 11 . 1 1 110 110 VAL CA C 296 66.491 66.491 61.305 5.186 17911 6149 1 11 . 1 1 110 110 VAL CB C 296 31.605 31.605 31.929 -0.324 17911 6150 1 11 . 1 1 110 110 VAL H H 296 7.945 7.945 8.045 -0.100 17911 6151 1 11 . 1 1 111 111 VAL N N 297 119.540 119.540 115.673 3.867 17911 6152 1 11 . 1 1 111 111 VAL HA H 297 3.601 3.601 3.967 -0.366 17911 6153 1 11 . 1 1 111 111 VAL CA C 297 66.379 66.379 62.108 4.271 17911 6154 1 11 . 1 1 111 111 VAL CB C 297 31.605 31.605 31.624 -0.019 17911 6155 1 11 . 1 1 111 111 VAL H H 297 8.109 8.109 7.590 0.519 17911 6156 1 11 . 1 1 112 112 ARG N N 298 119.680 119.680 121.880 -2.200 17911 6157 1 11 . 1 1 112 112 ARG HA H 298 4.010 4.010 4.444 -0.434 17911 6158 1 11 . 1 1 112 112 ARG CA C 298 58.634 58.634 55.413 3.221 17911 6159 1 11 . 1 1 112 112 ARG CB C 298 30.028 30.028 31.006 -0.978 17911 6160 1 11 . 1 1 112 112 ARG H H 298 7.710 7.710 8.334 -0.624 17911 6161 1 11 . 1 1 113 113 GLN N N 299 117.786 117.786 115.710 2.076 17911 6162 1 11 . 1 1 113 113 GLN HA H 299 4.158 4.158 3.984 0.174 17911 6163 1 11 . 1 1 113 113 GLN CA C 299 57.557 57.557 57.573 -0.016 17911 6164 1 11 . 1 1 113 113 GLN CB C 299 29.308 29.308 26.453 2.855 17911 6165 1 11 . 1 1 113 113 GLN H H 299 8.033 8.033 8.132 -0.099 17911 6166 1 11 . 1 1 114 114 CYS N N 300 115.786 115.786 119.295 -3.509 17911 6167 1 11 . 1 1 114 114 CYS HA H 300 4.470 4.470 4.271 0.199 17911 6168 1 11 . 1 1 114 114 CYS CA C 300 59.934 59.934 59.905 0.029 17911 6169 1 11 . 1 1 114 114 CYS CB C 300 28.293 28.293 28.692 -0.400 17911 6170 1 11 . 1 1 114 114 CYS H H 300 8.071 8.071 8.447 -0.376 17911 6171 1 11 . 1 1 115 115 SER N N 301 116.258 116.258 112.531 3.727 17911 6172 1 11 . 1 1 115 115 SER HA H 301 4.407 4.407 4.583 -0.176 17911 6173 1 11 . 1 1 115 115 SER CA C 301 59.485 59.485 57.152 2.333 17911 6174 1 11 . 1 1 115 115 SER CB C 301 63.286 63.286 64.696 -1.410 17911 6175 1 11 . 1 1 115 115 SER H H 301 7.883 7.883 8.054 -0.171 17911 6176 1 11 . 1 1 116 116 GLY N N 302 110.709 110.709 106.311 4.398 17911 6177 1 11 . 1 1 116 116 GLY CA C 302 45.239 45.239 45.685 -0.446 17911 6178 1 11 . 1 1 116 116 GLY H H 302 8.355 8.355 8.700 -0.345 17911 6179 1 11 . 1 1 117 117 VAL N N 303 119.189 119.189 119.682 -0.493 17911 6180 1 11 . 1 1 117 117 VAL HA H 303 4.057 4.057 3.944 0.113 17911 6181 1 11 . 1 1 117 117 VAL CA C 303 62.236 62.236 65.096 -2.860 17911 6182 1 11 . 1 1 117 117 VAL CB C 303 32.626 32.626 30.822 1.804 17911 6183 1 11 . 1 1 117 117 VAL H H 303 7.710 7.710 8.129 -0.419 17911 6184 1 11 . 1 1 118 118 THR N N 304 118.009 118.009 111.363 6.646 17911 6185 1 11 . 1 1 118 118 THR HA H 304 4.279 4.279 3.990 0.289 17911 6186 1 11 . 1 1 118 118 THR CA C 304 61.556 61.556 64.313 -2.757 17911 6187 1 11 . 1 1 118 118 THR CB C 304 69.894 69.894 68.722 1.173 17911 6188 1 11 . 1 1 118 118 THR H H 304 8.109 8.109 8.096 0.013 17911 6189 1 11 . 1 1 119 119 PHE N N 305 123.287 123.287 118.011 5.276 17911 6190 1 11 . 1 1 119 119 PHE HA H 305 4.605 4.605 4.948 -0.343 17911 6191 1 11 . 1 1 119 119 PHE CA C 305 57.727 57.727 58.561 -0.834 17911 6192 1 11 . 1 1 119 119 PHE CB C 305 39.859 39.859 41.775 -1.916 17911 6193 1 11 . 1 1 119 119 PHE H H 305 8.298 8.298 8.043 0.255 17911 6194 1 12 . 1 1 2 2 ARG N N 188 121.886 121.886 120.393 1.493 17911 6195 1 12 . 1 1 2 2 ARG HA H 188 4.242 4.242 4.164 0.078 17911 6196 1 12 . 1 1 2 2 ARG CA C 188 56.487 56.487 58.426 -1.939 17911 6197 1 12 . 1 1 2 2 ARG CB C 188 30.857 30.857 30.224 0.633 17911 6198 1 12 . 1 1 2 2 ARG H H 188 8.475 8.475 8.564 -0.089 17911 6199 1 12 . 1 1 3 3 GLN N N 189 121.336 121.336 116.299 5.037 17911 6200 1 12 . 1 1 3 3 GLN HA H 189 4.302 4.302 4.438 -0.136 17911 6201 1 12 . 1 1 3 3 GLN CA C 189 56.366 56.366 56.138 0.228 17911 6202 1 12 . 1 1 3 3 GLN CB C 189 29.254 29.254 29.301 -0.047 17911 6203 1 12 . 1 1 3 3 GLN H H 189 8.553 8.553 8.198 0.355 17911 6204 1 12 . 1 1 4 4 THR N N 190 115.273 115.273 109.043 6.230 17911 6205 1 12 . 1 1 4 4 THR HA H 190 4.275 4.275 4.577 -0.302 17911 6206 1 12 . 1 1 4 4 THR CA C 190 62.066 62.066 61.252 0.814 17911 6207 1 12 . 1 1 4 4 THR CB C 190 69.894 69.894 69.881 0.013 17911 6208 1 12 . 1 1 4 4 THR H H 190 8.123 8.123 7.909 0.214 17911 6209 1 12 . 1 1 5 5 ALA N N 191 126.029 126.029 124.036 1.993 17911 6210 1 12 . 1 1 5 5 ALA HA H 191 4.247 4.247 4.186 0.061 17911 6211 1 12 . 1 1 5 5 ALA CA C 191 52.537 52.537 53.782 -1.245 17911 6212 1 12 . 1 1 5 5 ALA CB C 191 19.183 19.183 18.920 0.263 17911 6213 1 12 . 1 1 5 5 ALA H H 191 8.284 8.284 8.007 0.277 17911 6214 1 12 . 1 1 6 6 GLN N N 192 119.614 119.614 118.212 1.402 17911 6215 1 12 . 1 1 6 6 GLN HA H 192 4.217 4.217 4.230 -0.013 17911 6216 1 12 . 1 1 6 6 GLN CA C 192 55.685 55.685 56.371 -0.686 17911 6217 1 12 . 1 1 6 6 GLN CB C 192 29.513 29.513 29.256 0.257 17911 6218 1 12 . 1 1 6 6 GLN H H 192 8.287 8.287 8.111 0.176 17911 6219 1 12 . 1 1 7 7 ALA N N 193 125.571 125.571 122.214 3.357 17911 6220 1 12 . 1 1 7 7 ALA HA H 193 4.246 4.246 4.448 -0.202 17911 6221 1 12 . 1 1 7 7 ALA CA C 193 52.537 52.537 52.179 0.358 17911 6222 1 12 . 1 1 7 7 ALA CB C 193 19.268 19.268 19.558 -0.290 17911 6223 1 12 . 1 1 7 7 ALA H H 193 8.271 8.271 8.451 -0.180 17911 6224 1 12 . 1 1 8 8 ALA N N 194 123.461 123.461 121.263 2.198 17911 6225 1 12 . 1 1 8 8 ALA HA H 194 4.250 4.250 5.118 -0.868 17911 6226 1 12 . 1 1 8 8 ALA CA C 194 52.593 52.593 51.552 1.041 17911 6227 1 12 . 1 1 8 8 ALA CB C 194 19.324 19.324 20.798 -1.474 17911 6228 1 12 . 1 1 8 8 ALA H H 194 8.275 8.275 8.575 -0.300 17911 6229 1 12 . 1 1 9 9 GLY N N 195 108.312 108.312 108.869 -0.557 17911 6230 1 12 . 1 1 9 9 GLY CA C 195 45.219 45.219 45.132 0.087 17911 6231 1 12 . 1 1 9 9 GLY H H 195 8.328 8.328 8.454 -0.126 17911 6232 1 12 . 1 1 10 10 THR N N 196 112.710 112.710 111.063 1.647 17911 6233 1 12 . 1 1 10 10 THR HA H 196 4.334 4.334 4.120 0.214 17911 6234 1 12 . 1 1 10 10 THR CA C 196 61.471 61.471 62.489 -1.018 17911 6235 1 12 . 1 1 10 10 THR CB C 196 69.894 69.894 68.642 1.252 17911 6236 1 12 . 1 1 10 10 THR H H 196 7.998 7.998 7.764 0.234 17911 6237 1 12 . 1 1 11 11 ASP N N 197 122.862 122.862 121.271 1.591 17911 6238 1 12 . 1 1 11 11 ASP HA H 197 4.609 4.609 4.495 0.114 17911 6239 1 12 . 1 1 11 11 ASP CA C 197 54.262 54.262 55.210 -0.948 17911 6240 1 12 . 1 1 11 11 ASP CB C 197 41.135 41.135 41.062 0.072 17911 6241 1 12 . 1 1 11 11 ASP H H 197 8.404 8.404 8.361 0.043 17911 6242 1 12 . 1 1 12 12 THR N N 198 114.709 114.709 109.330 5.379 17911 6243 1 12 . 1 1 12 12 THR HA H 198 4.400 4.400 4.007 0.393 17911 6244 1 12 . 1 1 12 12 THR CA C 198 61.223 61.223 63.218 -1.995 17911 6245 1 12 . 1 1 12 12 THR CB C 198 70.490 70.490 68.502 1.988 17911 6246 1 12 . 1 1 12 12 THR H H 198 7.895 7.895 7.634 0.261 17911 6247 1 12 . 1 1 13 13 THR N N 199 122.785 122.785 117.895 4.890 17911 6248 1 12 . 1 1 13 13 THR HA H 199 3.961 3.961 4.313 -0.352 17911 6249 1 12 . 1 1 13 13 THR CA C 199 63.286 63.286 63.353 -0.067 17911 6250 1 12 . 1 1 13 13 THR CB C 199 68.958 68.958 69.049 -0.091 17911 6251 1 12 . 1 1 13 13 THR H H 199 8.354 8.354 8.274 0.080 17911 6252 1 12 . 1 1 14 14 ILE N N 200 127.902 127.902 129.621 -1.719 17911 6253 1 12 . 1 1 14 14 ILE HA H 200 3.807 3.807 4.201 -0.394 17911 6254 1 12 . 1 1 14 14 ILE CA C 200 60.965 60.965 59.337 1.628 17911 6255 1 12 . 1 1 14 14 ILE CB C 200 35.860 35.860 34.836 1.024 17911 6256 1 12 . 1 1 14 14 ILE H H 200 9.362 9.362 9.187 0.175 17911 6257 1 12 . 1 1 15 15 THR N N 201 130.379 130.379 123.174 7.205 17911 6258 1 12 . 1 1 15 15 THR HA H 201 3.521 3.521 3.998 -0.477 17911 6259 1 12 . 1 1 15 15 THR CA C 201 66.637 66.637 66.790 -0.153 17911 6260 1 12 . 1 1 15 15 THR CB C 201 67.411 67.411 68.587 -1.176 17911 6261 1 12 . 1 1 15 15 THR H H 201 7.834 7.834 8.210 -0.377 17911 6262 1 12 . 1 1 16 16 LEU N N 202 120.049 120.049 121.586 -1.537 17911 6263 1 12 . 1 1 16 16 LEU HA H 202 3.715 3.715 4.059 -0.344 17911 6264 1 12 . 1 1 16 16 LEU CA C 202 58.387 58.387 58.822 -0.435 17911 6265 1 12 . 1 1 16 16 LEU CB C 202 43.148 43.148 41.241 1.907 17911 6266 1 12 . 1 1 16 16 LEU H H 202 8.913 8.913 8.544 0.369 17911 6267 1 12 . 1 1 17 17 ASN N N 203 117.390 117.390 117.504 -0.114 17911 6268 1 12 . 1 1 17 17 ASN HA H 203 4.594 4.594 4.610 -0.016 17911 6269 1 12 . 1 1 17 17 ASN CA C 203 54.520 54.520 56.257 -1.737 17911 6270 1 12 . 1 1 17 17 ASN CB C 203 37.246 37.246 38.050 -0.804 17911 6271 1 12 . 1 1 17 17 ASN H H 203 6.926 6.926 7.993 -1.067 17911 6272 1 12 . 1 1 18 18 VAL N N 204 123.434 123.434 122.171 1.263 17911 6273 1 12 . 1 1 18 18 VAL HA H 204 4.242 4.242 4.025 0.217 17911 6274 1 12 . 1 1 18 18 VAL CA C 204 66.236 66.236 66.543 -0.307 17911 6275 1 12 . 1 1 18 18 VAL CB C 204 31.605 31.605 31.829 -0.224 17911 6276 1 12 . 1 1 18 18 VAL H H 204 7.660 7.660 7.590 0.070 17911 6277 1 12 . 1 1 19 19 LEU N N 205 117.301 117.301 120.185 -2.884 17911 6278 1 12 . 1 1 19 19 LEU HA H 205 3.945 3.945 3.937 0.008 17911 6279 1 12 . 1 1 19 19 LEU CA C 205 58.408 58.408 58.246 0.162 17911 6280 1 12 . 1 1 19 19 LEU CB C 205 42.918 42.918 41.252 1.665 17911 6281 1 12 . 1 1 19 19 LEU H H 205 8.573 8.573 8.566 0.007 17911 6282 1 12 . 1 1 20 20 ALA N N 206 120.290 120.290 122.065 -1.775 17911 6283 1 12 . 1 1 20 20 ALA HA H 206 4.012 4.012 4.251 -0.239 17911 6284 1 12 . 1 1 20 20 ALA CA C 206 56.195 56.195 55.233 0.962 17911 6285 1 12 . 1 1 20 20 ALA CB C 206 17.911 17.911 18.174 -0.263 17911 6286 1 12 . 1 1 20 20 ALA H H 206 8.188 8.188 8.472 -0.284 17911 6287 1 12 . 1 1 21 21 TRP N N 207 121.219 121.219 121.078 0.141 17911 6288 1 12 . 1 1 21 21 TRP HA H 207 4.110 4.110 4.241 -0.131 17911 6289 1 12 . 1 1 21 21 TRP CA C 207 61.224 61.224 62.303 -1.079 17911 6290 1 12 . 1 1 21 21 TRP CB C 207 28.712 28.712 29.430 -0.718 17911 6291 1 12 . 1 1 21 21 TRP H H 207 8.406 8.406 8.499 -0.093 17911 6292 1 12 . 1 1 22 22 LEU HA H 208 3.517 3.517 3.774 -0.257 17911 6293 1 12 . 1 1 22 22 LEU CA C 208 57.897 57.897 57.953 -0.056 17911 6294 1 12 . 1 1 22 22 LEU CB C 208 40.880 40.880 41.467 -0.586 17911 6295 1 12 . 1 1 22 22 LEU H H 208 8.620 8.620 8.855 -0.235 17911 6296 1 12 . 1 1 23 23 TYR N N 209 117.656 117.656 119.087 -1.431 17911 6297 1 12 . 1 1 23 23 TYR HA H 209 3.956 3.956 4.120 -0.164 17911 6298 1 12 . 1 1 23 23 TYR CA C 209 64.704 64.704 61.741 2.963 17911 6299 1 12 . 1 1 23 23 TYR CB C 209 38.793 38.793 37.477 1.317 17911 6300 1 12 . 1 1 23 23 TYR H H 209 8.368 8.368 8.262 0.106 17911 6301 1 12 . 1 1 24 24 ALA N N 210 122.658 122.658 121.420 1.238 17911 6302 1 12 . 1 1 24 24 ALA HA H 210 3.837 3.837 3.841 -0.004 17911 6303 1 12 . 1 1 24 24 ALA CA C 210 55.036 55.036 54.887 0.149 17911 6304 1 12 . 1 1 24 24 ALA CB C 210 17.311 17.311 17.641 -0.330 17911 6305 1 12 . 1 1 24 24 ALA H H 210 8.461 8.461 8.293 0.168 17911 6306 1 12 . 1 1 25 25 ALA N N 211 123.868 123.868 121.815 2.053 17911 6307 1 12 . 1 1 25 25 ALA HA H 211 3.761 3.761 3.711 0.050 17911 6308 1 12 . 1 1 25 25 ALA CA C 211 55.551 55.551 54.732 0.819 17911 6309 1 12 . 1 1 25 25 ALA CB C 211 17.992 17.992 18.093 -0.101 17911 6310 1 12 . 1 1 25 25 ALA H H 211 8.564 8.564 7.744 0.820 17911 6311 1 12 . 1 1 26 26 VAL N N 212 119.783 119.783 118.829 0.954 17911 6312 1 12 . 1 1 26 26 VAL HA H 212 3.487 3.487 3.460 0.027 17911 6313 1 12 . 1 1 26 26 VAL CA C 212 66.576 66.576 66.451 0.125 17911 6314 1 12 . 1 1 26 26 VAL CB C 212 31.575 31.575 31.773 -0.198 17911 6315 1 12 . 1 1 26 26 VAL H H 212 8.008 8.008 7.866 0.142 17911 6316 1 12 . 1 1 27 27 ILE N N 213 124.428 124.428 117.463 6.965 17911 6317 1 12 . 1 1 27 27 ILE HA H 213 3.559 3.559 3.715 -0.156 17911 6318 1 12 . 1 1 27 27 ILE CA C 213 65.526 65.526 64.332 1.194 17911 6319 1 12 . 1 1 27 27 ILE CB C 213 37.902 37.902 37.930 -0.028 17911 6320 1 12 . 1 1 27 27 ILE H H 213 8.576 8.576 8.196 0.380 17911 6321 1 12 . 1 1 28 28 ASN N N 214 116.563 116.563 116.179 0.384 17911 6322 1 12 . 1 1 28 28 ASN HA H 214 4.565 4.565 4.609 -0.044 17911 6323 1 12 . 1 1 28 28 ASN CA C 214 54.579 54.579 54.745 -0.166 17911 6324 1 12 . 1 1 28 28 ASN CB C 214 40.340 40.340 40.267 0.073 17911 6325 1 12 . 1 1 28 28 ASN H H 214 7.714 7.714 8.134 -0.420 17911 6326 1 12 . 1 1 29 29 GLY N N 215 107.004 107.004 106.440 0.564 17911 6327 1 12 . 1 1 29 29 GLY CA C 215 45.683 45.683 44.868 0.815 17911 6328 1 12 . 1 1 29 29 GLY H H 215 7.861 7.861 8.300 -0.439 17911 6329 1 12 . 1 1 30 30 ASP N N 216 125.780 125.780 124.004 1.776 17911 6330 1 12 . 1 1 30 30 ASP HA H 216 5.019 5.019 4.612 0.407 17911 6331 1 12 . 1 1 30 30 ASP CA C 216 53.643 53.643 54.753 -1.110 17911 6332 1 12 . 1 1 30 30 ASP CB C 216 41.561 41.561 39.524 2.037 17911 6333 1 12 . 1 1 30 30 ASP H H 216 8.560 8.560 7.958 0.602 17911 6334 1 12 . 1 1 31 31 ARG N N 217 115.297 115.297 120.336 -5.039 17911 6335 1 12 . 1 1 31 31 ARG HA H 217 3.711 3.711 3.326 0.385 17911 6336 1 12 . 1 1 31 31 ARG CA C 217 54.520 54.520 54.923 -0.404 17911 6337 1 12 . 1 1 31 31 ARG CB C 217 32.116 32.116 30.562 1.554 17911 6338 1 12 . 1 1 31 31 ARG H H 217 7.984 7.984 7.229 0.755 17911 6339 1 12 . 1 1 32 32 TRP N N 218 119.754 119.754 120.570 -0.816 17911 6340 1 12 . 1 1 32 32 TRP HA H 218 4.120 4.120 4.323 -0.203 17911 6341 1 12 . 1 1 32 32 TRP CA C 218 58.387 58.387 58.343 0.044 17911 6342 1 12 . 1 1 32 32 TRP CB C 218 28.372 28.372 28.460 -0.088 17911 6343 1 12 . 1 1 32 32 TRP H H 218 7.368 7.368 7.342 0.026 17911 6344 1 12 . 1 1 33 33 PHE HA H 219 3.919 3.919 4.728 -0.809 17911 6345 1 12 . 1 1 33 33 PHE CA C 219 55.315 55.315 57.121 -1.806 17911 6346 1 12 . 1 1 33 33 PHE CB C 219 37.277 37.277 37.451 -0.174 17911 6347 1 12 . 1 1 34 34 LEU N N 220 122.632 122.632 123.199 -0.567 17911 6348 1 12 . 1 1 34 34 LEU HA H 220 3.931 3.931 4.200 -0.269 17911 6349 1 12 . 1 1 34 34 LEU CA C 220 55.315 55.315 55.063 0.252 17911 6350 1 12 . 1 1 34 34 LEU CB C 220 40.790 40.790 41.662 -0.872 17911 6351 1 12 . 1 1 34 34 LEU H H 220 6.447 6.447 7.077 -0.630 17911 6352 1 12 . 1 1 35 35 ASN N N 221 119.503 119.503 122.153 -2.650 17911 6353 1 12 . 1 1 35 35 ASN HA H 221 4.709 4.709 4.843 -0.134 17911 6354 1 12 . 1 1 35 35 ASN CA C 221 52.026 52.026 52.144 -0.118 17911 6355 1 12 . 1 1 35 35 ASN CB C 221 40.598 40.598 40.302 0.296 17911 6356 1 12 . 1 1 35 35 ASN H H 221 8.105 8.105 8.245 -0.140 17911 6357 1 12 . 1 1 36 36 ARG N N 222 116.408 116.408 117.655 -1.247 17911 6358 1 12 . 1 1 36 36 ARG HA H 222 4.293 4.293 4.205 0.088 17911 6359 1 12 . 1 1 36 36 ARG CA C 222 55.600 55.600 56.485 -0.885 17911 6360 1 12 . 1 1 36 36 ARG CB C 222 28.997 28.997 30.028 -1.031 17911 6361 1 12 . 1 1 36 36 ARG H H 222 8.099 8.099 8.124 -0.025 17911 6362 1 12 . 1 1 37 37 PHE N N 223 120.398 120.398 120.005 0.393 17911 6363 1 12 . 1 1 37 37 PHE HA H 223 4.813 4.813 4.711 0.102 17911 6364 1 12 . 1 1 37 37 PHE CA C 223 56.081 56.081 57.684 -1.603 17911 6365 1 12 . 1 1 37 37 PHE CB C 223 40.085 40.085 39.349 0.736 17911 6366 1 12 . 1 1 37 37 PHE H H 223 7.842 7.842 7.524 0.318 17911 6367 1 12 . 1 1 38 38 THR N N 224 112.040 112.040 110.831 1.209 17911 6368 1 12 . 1 1 38 38 THR HA H 224 4.653 4.653 4.796 -0.143 17911 6369 1 12 . 1 1 38 38 THR CA C 224 60.708 60.708 60.126 0.582 17911 6370 1 12 . 1 1 38 38 THR CB C 224 71.000 71.000 70.043 0.957 17911 6371 1 12 . 1 1 38 38 THR H H 224 8.231 8.231 8.170 0.061 17911 6372 1 12 . 1 1 39 39 THR N N 225 116.627 116.627 114.520 2.107 17911 6373 1 12 . 1 1 39 39 THR HA H 225 4.925 4.925 4.681 0.244 17911 6374 1 12 . 1 1 39 39 THR CA C 225 59.677 59.677 60.078 -0.401 17911 6375 1 12 . 1 1 39 39 THR CB C 225 69.989 69.989 71.073 -1.084 17911 6376 1 12 . 1 1 39 39 THR H H 225 8.107 8.107 8.230 -0.123 17911 6377 1 12 . 1 1 40 40 THR N N 226 111.263 111.263 116.493 -5.230 17911 6378 1 12 . 1 1 40 40 THR HA H 226 4.727 4.727 4.572 0.155 17911 6379 1 12 . 1 1 40 40 THR CA C 226 59.740 59.740 60.950 -1.210 17911 6380 1 12 . 1 1 40 40 THR CB C 226 72.052 72.052 70.527 1.525 17911 6381 1 12 . 1 1 40 40 THR H H 226 8.481 8.481 8.213 0.268 17911 6382 1 12 . 1 1 41 41 LEU N N 227 123.989 123.989 124.491 -0.502 17911 6383 1 12 . 1 1 41 41 LEU HA H 227 3.986 3.986 4.150 -0.164 17911 6384 1 12 . 1 1 41 41 LEU CA C 227 58.903 58.903 58.221 0.682 17911 6385 1 12 . 1 1 41 41 LEU CB C 227 41.561 41.561 41.927 -0.366 17911 6386 1 12 . 1 1 41 41 LEU H H 227 9.259 9.259 8.832 0.427 17911 6387 1 12 . 1 1 42 42 ASN N N 228 115.183 115.183 116.993 -1.810 17911 6388 1 12 . 1 1 42 42 ASN HA H 228 4.435 4.435 4.415 0.020 17911 6389 1 12 . 1 1 42 42 ASN CA C 228 56.961 56.961 57.330 -0.369 17911 6390 1 12 . 1 1 42 42 ASN CB C 228 38.497 38.497 38.166 0.332 17911 6391 1 12 . 1 1 42 42 ASN H H 228 8.598 8.598 8.486 0.112 17911 6392 1 12 . 1 1 43 43 ASP N N 229 118.746 118.746 120.464 -1.718 17911 6393 1 12 . 1 1 43 43 ASP HA H 229 4.367 4.367 4.408 -0.041 17911 6394 1 12 . 1 1 43 43 ASP CA C 229 57.387 57.387 57.347 0.040 17911 6395 1 12 . 1 1 43 43 ASP CB C 229 40.625 40.625 40.932 -0.307 17911 6396 1 12 . 1 1 43 43 ASP H H 229 7.847 7.847 7.906 -0.059 17911 6397 1 12 . 1 1 44 44 PHE N N 230 120.193 120.193 120.800 -0.607 17911 6398 1 12 . 1 1 44 44 PHE HA H 230 3.808 3.808 4.078 -0.270 17911 6399 1 12 . 1 1 44 44 PHE CA C 230 62.747 62.747 61.933 0.814 17911 6400 1 12 . 1 1 44 44 PHE CB C 230 38.753 38.753 39.174 -0.421 17911 6401 1 12 . 1 1 44 44 PHE H H 230 8.547 8.547 8.362 0.185 17911 6402 1 12 . 1 1 45 45 ASN N N 231 118.852 118.852 118.322 0.530 17911 6403 1 12 . 1 1 45 45 ASN HA H 231 4.472 4.472 4.270 0.202 17911 6404 1 12 . 1 1 45 45 ASN CA C 231 55.344 55.344 56.162 -0.818 17911 6405 1 12 . 1 1 45 45 ASN CB C 231 37.391 37.391 38.072 -0.681 17911 6406 1 12 . 1 1 45 45 ASN H H 231 8.727 8.727 8.521 0.206 17911 6407 1 12 . 1 1 46 46 LEU N N 232 120.221 120.221 120.928 -0.707 17911 6408 1 12 . 1 1 46 46 LEU HA H 232 4.065 4.065 3.952 0.113 17911 6409 1 12 . 1 1 46 46 LEU CA C 232 58.152 58.152 58.363 -0.211 17911 6410 1 12 . 1 1 46 46 LEU CB C 232 42.071 42.071 41.789 0.282 17911 6411 1 12 . 1 1 46 46 LEU H H 232 7.516 7.516 8.400 -0.884 17911 6412 1 12 . 1 1 47 47 VAL N N 233 119.649 119.649 118.300 1.349 17911 6413 1 12 . 1 1 47 47 VAL HA H 233 3.604 3.604 3.542 0.062 17911 6414 1 12 . 1 1 47 47 VAL CA C 233 65.864 65.864 66.055 -0.191 17911 6415 1 12 . 1 1 47 47 VAL CB C 233 31.575 31.575 31.137 0.438 17911 6416 1 12 . 1 1 47 47 VAL H H 233 6.987 6.987 7.996 -1.009 17911 6417 1 12 . 1 1 48 48 ALA N N 234 122.056 122.056 122.225 -0.169 17911 6418 1 12 . 1 1 48 48 ALA HA H 234 3.451 3.451 3.837 -0.386 17911 6419 1 12 . 1 1 48 48 ALA CA C 234 55.741 55.741 55.048 0.693 17911 6420 1 12 . 1 1 48 48 ALA CB C 234 16.971 16.971 18.119 -1.148 17911 6421 1 12 . 1 1 48 48 ALA H H 234 8.480 8.480 8.134 0.346 17911 6422 1 12 . 1 1 49 49 MET N N 235 114.180 114.180 117.909 -3.729 17911 6423 1 12 . 1 1 49 49 MET HA H 235 4.272 4.272 4.178 0.094 17911 6424 1 12 . 1 1 49 49 MET CA C 235 59.003 59.003 58.937 0.066 17911 6425 1 12 . 1 1 49 49 MET CB C 235 32.967 32.967 32.557 0.410 17911 6426 1 12 . 1 1 49 49 MET H H 235 7.950 7.950 8.374 -0.424 17911 6427 1 12 . 1 1 50 50 LYS N N 236 120.217 120.217 119.704 0.513 17911 6428 1 12 . 1 1 50 50 LYS HA H 236 3.945 3.945 3.865 0.080 17911 6429 1 12 . 1 1 50 50 LYS CA C 236 58.378 58.378 58.391 -0.013 17911 6430 1 12 . 1 1 50 50 LYS CB C 236 31.833 31.833 32.324 -0.491 17911 6431 1 12 . 1 1 50 50 LYS H H 236 7.378 7.378 8.061 -0.683 17911 6432 1 12 . 1 1 51 51 TYR N N 237 115.853 115.853 115.367 0.486 17911 6433 1 12 . 1 1 51 51 TYR HA H 237 4.462 4.462 4.696 -0.234 17911 6434 1 12 . 1 1 51 51 TYR CA C 237 58.293 58.293 56.954 1.339 17911 6435 1 12 . 1 1 51 51 TYR CB C 237 38.668 38.668 38.023 0.645 17911 6436 1 12 . 1 1 51 51 TYR H H 237 7.392 7.392 7.411 -0.019 17911 6437 1 12 . 1 1 52 52 ASN N N 238 115.965 115.965 113.048 2.917 17911 6438 1 12 . 1 1 52 52 ASN HA H 238 4.403 4.403 4.375 0.028 17911 6439 1 12 . 1 1 52 52 ASN CA C 238 54.834 54.834 54.681 0.153 17911 6440 1 12 . 1 1 52 52 ASN CB C 238 36.881 36.881 36.981 -0.100 17911 6441 1 12 . 1 1 52 52 ASN H H 238 7.914 7.914 7.871 0.043 17911 6442 1 12 . 1 1 53 53 TYR N N 239 120.379 120.379 119.332 1.047 17911 6443 1 12 . 1 1 53 53 TYR HA H 239 4.675 4.675 4.681 -0.006 17911 6444 1 12 . 1 1 53 53 TYR CA C 239 57.387 57.387 57.842 -0.455 17911 6445 1 12 . 1 1 53 53 TYR CB C 239 37.788 37.788 38.654 -0.866 17911 6446 1 12 . 1 1 53 53 TYR H H 239 8.341 8.341 8.241 0.100 17911 6447 1 12 . 1 1 54 54 GLU N N 240 122.559 122.559 123.679 -1.120 17911 6448 1 12 . 1 1 54 54 GLU HA H 240 4.317 4.317 4.241 0.076 17911 6449 1 12 . 1 1 54 54 GLU CA C 240 54.579 54.579 56.074 -1.494 17911 6450 1 12 . 1 1 54 54 GLU CB C 240 30.802 30.802 29.638 1.164 17911 6451 1 12 . 1 1 54 54 GLU H H 240 8.114 8.114 8.677 -0.563 17911 6452 1 12 . 1 1 55 55 PRO HA H 241 4.314 4.314 4.441 -0.127 17911 6453 1 12 . 1 1 55 55 PRO CA C 241 62.973 62.973 62.720 0.253 17911 6454 1 12 . 1 1 55 55 PRO CB C 241 31.917 31.917 32.503 -0.586 17911 6455 1 12 . 1 1 56 56 LEU N N 242 124.468 124.468 121.306 3.162 17911 6456 1 12 . 1 1 56 56 LEU HA H 242 5.200 5.200 4.698 0.502 17911 6457 1 12 . 1 1 56 56 LEU CA C 242 53.747 53.747 54.011 -0.264 17911 6458 1 12 . 1 1 56 56 LEU CB C 242 45.560 45.560 46.155 -0.595 17911 6459 1 12 . 1 1 56 56 LEU H H 242 9.650 9.650 9.381 0.269 17911 6460 1 12 . 1 1 57 57 THR N N 243 116.700 116.700 113.807 2.893 17911 6461 1 12 . 1 1 57 57 THR HA H 243 4.664 4.664 4.730 -0.066 17911 6462 1 12 . 1 1 57 57 THR CA C 243 59.429 59.429 60.138 -0.709 17911 6463 1 12 . 1 1 57 57 THR CB C 243 71.851 71.851 71.870 -0.019 17911 6464 1 12 . 1 1 57 57 THR H H 243 9.279 9.279 8.534 0.745 17911 6465 1 12 . 1 1 58 58 GLN N N 244 119.764 119.764 121.007 -1.243 17911 6466 1 12 . 1 1 58 58 GLN HA H 244 3.827 3.827 4.057 -0.230 17911 6467 1 12 . 1 1 58 58 GLN CA C 244 58.130 58.130 59.567 -1.437 17911 6468 1 12 . 1 1 58 58 GLN CB C 244 27.777 27.777 28.276 -0.499 17911 6469 1 12 . 1 1 58 58 GLN H H 244 8.959 8.959 8.855 0.104 17911 6470 1 12 . 1 1 59 59 ASP N N 245 117.059 117.059 116.401 0.658 17911 6471 1 12 . 1 1 59 59 ASP HA H 245 4.325 4.325 4.353 -0.028 17911 6472 1 12 . 1 1 59 59 ASP CA C 245 57.301 57.301 57.064 0.237 17911 6473 1 12 . 1 1 59 59 ASP CB C 245 40.029 40.029 40.417 -0.388 17911 6474 1 12 . 1 1 59 59 ASP H H 245 7.838 7.838 8.788 -0.950 17911 6475 1 12 . 1 1 60 60 HIS N N 246 119.076 119.076 119.148 -0.072 17911 6476 1 12 . 1 1 60 60 HIS HA H 246 4.296 4.296 4.429 -0.133 17911 6477 1 12 . 1 1 60 60 HIS CA C 246 58.645 58.645 59.267 -0.622 17911 6478 1 12 . 1 1 60 60 HIS CB C 246 32.864 32.864 30.047 2.817 17911 6479 1 12 . 1 1 60 60 HIS H H 246 7.333 7.333 7.618 -0.285 17911 6480 1 12 . 1 1 61 61 VAL N N 247 118.215 118.215 120.504 -2.289 17911 6481 1 12 . 1 1 61 61 VAL HA H 247 3.400 3.400 3.594 -0.194 17911 6482 1 12 . 1 1 61 61 VAL CA C 247 67.257 67.257 66.783 0.474 17911 6483 1 12 . 1 1 61 61 VAL CB C 247 31.010 31.010 31.835 -0.825 17911 6484 1 12 . 1 1 61 61 VAL H H 247 7.565 7.565 8.483 -0.918 17911 6485 1 12 . 1 1 62 62 ASP N N 248 119.651 119.651 119.329 0.322 17911 6486 1 12 . 1 1 62 62 ASP HA H 248 4.358 4.358 4.306 0.052 17911 6487 1 12 . 1 1 62 62 ASP CA C 248 57.557 57.557 57.316 0.241 17911 6488 1 12 . 1 1 62 62 ASP CB C 248 40.027 40.027 40.967 -0.940 17911 6489 1 12 . 1 1 62 62 ASP H H 248 8.142 8.142 8.039 0.103 17911 6490 1 12 . 1 1 63 63 ILE N N 249 123.545 123.545 118.941 4.604 17911 6491 1 12 . 1 1 63 63 ILE HA H 249 3.756 3.756 3.743 0.013 17911 6492 1 12 . 1 1 63 63 ILE CA C 249 64.832 64.832 64.535 0.297 17911 6493 1 12 . 1 1 63 63 ILE CB C 249 37.817 37.817 38.179 -0.362 17911 6494 1 12 . 1 1 63 63 ILE H H 249 8.017 8.017 7.741 0.276 17911 6495 1 12 . 1 1 64 64 LEU N N 250 117.125 117.125 117.442 -0.317 17911 6496 1 12 . 1 1 64 64 LEU HA H 250 4.094 4.094 4.299 -0.205 17911 6497 1 12 . 1 1 64 64 LEU CA C 250 55.004 55.004 55.626 -0.622 17911 6498 1 12 . 1 1 64 64 LEU CB C 250 42.662 42.662 41.566 1.096 17911 6499 1 12 . 1 1 64 64 LEU H H 250 7.217 7.217 7.589 -0.372 17911 6500 1 12 . 1 1 65 65 GLY N N 251 108.388 108.388 108.909 -0.521 17911 6501 1 12 . 1 1 65 65 GLY CA C 251 48.708 48.708 48.366 0.342 17911 6502 1 12 . 1 1 65 65 GLY H H 251 7.794 7.794 7.845 -0.051 17911 6503 1 12 . 1 1 66 66 PRO HA H 252 4.243 4.243 4.125 0.118 17911 6504 1 12 . 1 1 66 66 PRO CA C 252 66.036 66.036 65.864 0.172 17911 6505 1 12 . 1 1 66 66 PRO CB C 252 32.172 32.172 31.408 0.764 17911 6506 1 12 . 1 1 67 67 LEU N N 253 117.852 117.852 116.519 1.333 17911 6507 1 12 . 1 1 67 67 LEU HA H 253 3.866 3.866 3.852 0.014 17911 6508 1 12 . 1 1 67 67 LEU CA C 253 57.301 57.301 57.271 0.030 17911 6509 1 12 . 1 1 67 67 LEU CB C 253 40.539 40.539 41.133 -0.594 17911 6510 1 12 . 1 1 67 67 LEU H H 253 7.344 7.344 7.912 -0.568 17911 6511 1 12 . 1 1 68 68 SER N N 254 117.191 117.191 115.792 1.399 17911 6512 1 12 . 1 1 68 68 SER HA H 254 4.154 4.154 4.171 -0.017 17911 6513 1 12 . 1 1 68 68 SER CA C 254 60.705 60.705 61.476 -0.771 17911 6514 1 12 . 1 1 68 68 SER CB C 254 63.286 63.286 62.757 0.529 17911 6515 1 12 . 1 1 68 68 SER H H 254 7.883 7.883 8.218 -0.335 17911 6516 1 12 . 1 1 69 69 ALA N N 255 123.895 123.895 124.452 -0.557 17911 6517 1 12 . 1 1 69 69 ALA HA H 255 4.078 4.078 4.134 -0.056 17911 6518 1 12 . 1 1 69 69 ALA CA C 255 54.749 54.749 54.335 0.414 17911 6519 1 12 . 1 1 69 69 ALA CB C 255 17.992 17.992 18.285 -0.293 17911 6520 1 12 . 1 1 69 69 ALA H H 255 8.592 8.592 7.775 0.817 17911 6521 1 12 . 1 1 70 70 GLN N N 256 116.528 116.528 114.783 1.745 17911 6522 1 12 . 1 1 70 70 GLN HA H 256 4.011 4.011 4.106 -0.095 17911 6523 1 12 . 1 1 70 70 GLN CA C 256 58.634 58.634 57.821 0.813 17911 6524 1 12 . 1 1 70 70 GLN CB C 256 28.939 28.939 29.389 -0.450 17911 6525 1 12 . 1 1 70 70 GLN H H 256 7.744 7.744 8.076 -0.332 17911 6526 1 12 . 1 1 71 71 THR N N 257 103.056 103.056 106.284 -3.228 17911 6527 1 12 . 1 1 71 71 THR HA H 257 4.277 4.277 4.542 -0.265 17911 6528 1 12 . 1 1 71 71 THR CA C 257 62.236 62.236 61.336 0.901 17911 6529 1 12 . 1 1 71 71 THR CB C 257 72.277 72.277 71.155 1.122 17911 6530 1 12 . 1 1 71 71 THR H H 257 7.401 7.401 7.391 0.010 17911 6531 1 12 . 1 1 72 72 GLY N N 258 111.697 111.697 111.181 0.516 17911 6532 1 12 . 1 1 72 72 GLY CA C 258 45.900 45.900 45.592 0.308 17911 6533 1 12 . 1 1 72 72 GLY H H 258 8.113 8.113 8.094 0.019 17911 6534 1 12 . 1 1 73 73 ILE N N 259 120.078 120.078 121.941 -1.863 17911 6535 1 12 . 1 1 73 73 ILE HA H 259 4.451 4.451 4.351 0.100 17911 6536 1 12 . 1 1 73 73 ILE CA C 259 58.903 58.903 59.953 -1.050 17911 6537 1 12 . 1 1 73 73 ILE CB C 259 38.497 38.497 39.417 -0.920 17911 6538 1 12 . 1 1 73 73 ILE H H 259 7.598 7.598 7.659 -0.061 17911 6539 1 12 . 1 1 74 74 ALA N N 260 107.454 107.454 130.207 -22.753 17911 6540 1 12 . 1 1 74 74 ALA HA H 260 4.178 4.178 4.281 -0.103 17911 6541 1 12 . 1 1 74 74 ALA CA C 260 52.622 52.622 52.517 0.105 17911 6542 1 12 . 1 1 74 74 ALA CB C 260 18.417 18.417 19.638 -1.221 17911 6543 1 12 . 1 1 74 74 ALA H H 260 9.477 9.477 8.761 0.716 17911 6544 1 12 . 1 1 75 75 VAL N N 261 124.569 124.569 122.580 1.989 17911 6545 1 12 . 1 1 75 75 VAL HA H 261 4.095 4.095 3.831 0.264 17911 6546 1 12 . 1 1 75 75 VAL CA C 261 66.637 66.637 65.660 0.977 17911 6547 1 12 . 1 1 75 75 VAL CB C 261 31.575 31.575 31.923 -0.348 17911 6548 1 12 . 1 1 75 75 VAL H H 261 8.927 8.927 8.842 0.085 17911 6549 1 12 . 1 1 76 76 LEU N N 262 117.285 117.285 118.346 -1.061 17911 6550 1 12 . 1 1 76 76 LEU HA H 262 3.827 3.827 4.013 -0.186 17911 6551 1 12 . 1 1 76 76 LEU CA C 262 58.067 58.067 57.198 0.869 17911 6552 1 12 . 1 1 76 76 LEU CB C 262 39.774 39.774 40.931 -1.157 17911 6553 1 12 . 1 1 76 76 LEU H H 262 8.949 8.949 8.083 0.866 17911 6554 1 12 . 1 1 77 77 ASP N N 263 120.854 120.854 121.139 -0.285 17911 6555 1 12 . 1 1 77 77 ASP HA H 263 4.639 4.639 4.712 -0.073 17911 6556 1 12 . 1 1 77 77 ASP CA C 263 57.131 57.131 57.334 -0.203 17911 6557 1 12 . 1 1 77 77 ASP CB C 263 39.178 39.178 40.486 -1.308 17911 6558 1 12 . 1 1 77 77 ASP H H 263 7.011 7.011 7.888 -0.877 17911 6559 1 12 . 1 1 78 78 MET N N 264 124.661 124.661 120.500 4.161 17911 6560 1 12 . 1 1 78 78 MET HA H 264 4.343 4.343 4.177 0.166 17911 6561 1 12 . 1 1 78 78 MET CA C 264 57.131 57.131 57.746 -0.615 17911 6562 1 12 . 1 1 78 78 MET CB C 264 31.172 31.172 31.893 -0.721 17911 6563 1 12 . 1 1 78 78 MET H H 264 8.025 8.025 8.057 -0.032 17911 6564 1 12 . 1 1 79 79 CYS N N 265 117.740 117.740 118.674 -0.934 17911 6565 1 12 . 1 1 79 79 CYS HA H 265 3.534 3.534 3.755 -0.221 17911 6566 1 12 . 1 1 79 79 CYS CA C 265 64.317 64.317 63.500 0.817 17911 6567 1 12 . 1 1 79 79 CYS CB C 265 25.564 25.564 26.061 -0.497 17911 6568 1 12 . 1 1 79 79 CYS H H 265 8.703 8.703 8.428 0.275 17911 6569 1 12 . 1 1 80 80 ALA N N 266 123.346 123.346 122.443 0.903 17911 6570 1 12 . 1 1 80 80 ALA HA H 266 3.884 3.884 4.069 -0.185 17911 6571 1 12 . 1 1 80 80 ALA CA C 266 55.174 55.174 55.200 -0.026 17911 6572 1 12 . 1 1 80 80 ALA CB C 266 17.911 17.911 18.041 -0.130 17911 6573 1 12 . 1 1 80 80 ALA H H 266 7.745 7.745 8.106 -0.361 17911 6574 1 12 . 1 1 81 81 ALA N N 267 122.668 122.668 122.642 0.026 17911 6575 1 12 . 1 1 81 81 ALA HA H 267 4.236 4.236 4.097 0.139 17911 6576 1 12 . 1 1 81 81 ALA CA C 267 54.778 54.778 55.032 -0.254 17911 6577 1 12 . 1 1 81 81 ALA CB C 267 18.247 18.247 18.465 -0.218 17911 6578 1 12 . 1 1 81 81 ALA H H 267 7.513 7.513 8.316 -0.803 17911 6579 1 12 . 1 1 82 82 LEU N N 268 119.844 119.844 120.305 -0.461 17911 6580 1 12 . 1 1 82 82 LEU HA H 268 3.924 3.924 3.954 -0.030 17911 6581 1 12 . 1 1 82 82 LEU CA C 268 57.613 57.613 57.753 -0.140 17911 6582 1 12 . 1 1 82 82 LEU CB C 268 40.681 40.681 40.729 -0.048 17911 6583 1 12 . 1 1 82 82 LEU H H 268 8.304 8.304 8.543 -0.239 17911 6584 1 12 . 1 1 83 83 LYS N N 269 119.140 119.140 118.534 0.606 17911 6585 1 12 . 1 1 83 83 LYS HA H 269 3.629 3.629 3.935 -0.306 17911 6586 1 12 . 1 1 83 83 LYS CA C 269 60.279 60.279 59.802 0.477 17911 6587 1 12 . 1 1 83 83 LYS CB C 269 33.052 33.052 32.525 0.527 17911 6588 1 12 . 1 1 83 83 LYS H H 269 8.881 8.881 8.545 0.336 17911 6589 1 12 . 1 1 84 84 GLU N N 270 116.647 116.647 118.482 -1.835 17911 6590 1 12 . 1 1 84 84 GLU HA H 270 4.085 4.085 4.235 -0.150 17911 6591 1 12 . 1 1 84 84 GLU CA C 270 58.903 58.903 58.594 0.309 17911 6592 1 12 . 1 1 84 84 GLU CB C 270 29.223 29.223 30.052 -0.829 17911 6593 1 12 . 1 1 84 84 GLU H H 270 7.107 7.107 7.890 -0.783 17911 6594 1 12 . 1 1 85 85 LEU N N 271 120.657 120.657 121.021 -0.364 17911 6595 1 12 . 1 1 85 85 LEU HA H 271 3.992 3.992 4.022 -0.030 17911 6596 1 12 . 1 1 85 85 LEU CA C 271 57.872 57.872 57.930 -0.058 17911 6597 1 12 . 1 1 85 85 LEU CB C 271 42.326 42.326 41.883 0.443 17911 6598 1 12 . 1 1 85 85 LEU H H 271 7.757 7.757 8.252 -0.495 17911 6599 1 12 . 1 1 86 86 LEU N N 272 119.651 119.651 118.243 1.408 17911 6600 1 12 . 1 1 86 86 LEU HA H 272 3.535 3.535 3.913 -0.378 17911 6601 1 12 . 1 1 86 86 LEU CA C 272 57.356 57.356 56.665 0.691 17911 6602 1 12 . 1 1 86 86 LEU CB C 272 40.880 40.880 42.044 -1.165 17911 6603 1 12 . 1 1 86 86 LEU H H 272 8.336 8.336 8.288 0.048 17911 6604 1 12 . 1 1 87 87 GLN N N 273 113.087 113.087 115.591 -2.504 17911 6605 1 12 . 1 1 87 87 GLN HA H 273 4.099 4.099 4.191 -0.092 17911 6606 1 12 . 1 1 87 87 GLN CA C 273 58.387 58.387 56.527 1.860 17911 6607 1 12 . 1 1 87 87 GLN CB C 273 30.159 30.159 31.446 -1.287 17911 6608 1 12 . 1 1 87 87 GLN H H 273 7.422 7.422 7.689 -0.267 17911 6609 1 12 . 1 1 88 88 ASN N N 274 113.925 113.925 115.226 -1.301 17911 6610 1 12 . 1 1 88 88 ASN HA H 274 4.921 4.921 4.950 -0.029 17911 6611 1 12 . 1 1 88 88 ASN CA C 274 53.747 53.747 53.867 -0.120 17911 6612 1 12 . 1 1 88 88 ASN CB C 274 40.625 40.625 42.128 -1.503 17911 6613 1 12 . 1 1 88 88 ASN H H 274 8.388 8.388 8.558 -0.170 17911 6614 1 12 . 1 1 89 89 GLY N N 275 109.040 109.040 108.899 0.141 17911 6615 1 12 . 1 1 89 89 GLY CA C 275 44.709 44.709 44.464 0.245 17911 6616 1 12 . 1 1 89 89 GLY H H 275 7.698 7.698 7.937 -0.239 17911 6617 1 12 . 1 1 90 90 MET N N 276 115.183 115.183 117.402 -2.219 17911 6618 1 12 . 1 1 90 90 MET HA H 276 4.434 4.434 4.075 0.359 17911 6619 1 12 . 1 1 90 90 MET CA C 276 56.791 56.791 56.263 0.528 17911 6620 1 12 . 1 1 90 90 MET CB C 276 33.637 33.637 32.296 1.341 17911 6621 1 12 . 1 1 90 90 MET H H 276 8.599 8.599 8.560 0.039 17911 6622 1 12 . 1 1 91 91 ASN N N 277 118.020 118.020 118.770 -0.750 17911 6623 1 12 . 1 1 91 91 ASN HA H 277 4.301 4.301 4.624 -0.323 17911 6624 1 12 . 1 1 91 91 ASN CA C 277 53.983 53.983 54.619 -0.636 17911 6625 1 12 . 1 1 91 91 ASN CB C 277 37.987 37.987 38.763 -0.776 17911 6626 1 12 . 1 1 91 91 ASN H H 277 9.033 9.033 8.624 0.409 17911 6627 1 12 . 1 1 92 92 GLY N N 278 104.906 104.906 105.554 -0.648 17911 6628 1 12 . 1 1 92 92 GLY CA C 278 45.645 45.645 45.017 0.628 17911 6629 1 12 . 1 1 92 92 GLY H H 278 8.538 8.538 8.163 0.375 17911 6630 1 12 . 1 1 93 93 ARG N N 279 120.056 120.056 120.254 -0.198 17911 6631 1 12 . 1 1 93 93 ARG HA H 279 4.237 4.237 4.591 -0.354 17911 6632 1 12 . 1 1 93 93 ARG CA C 279 55.344 55.344 54.560 0.784 17911 6633 1 12 . 1 1 93 93 ARG CB C 279 31.491 31.491 33.105 -1.614 17911 6634 1 12 . 1 1 93 93 ARG H H 279 7.257 7.257 7.606 -0.349 17911 6635 1 12 . 1 1 94 94 THR N N 280 106.223 106.223 112.289 -6.066 17911 6636 1 12 . 1 1 94 94 THR HA H 280 5.028 5.028 5.333 -0.305 17911 6637 1 12 . 1 1 94 94 THR CA C 280 59.684 59.684 61.054 -1.370 17911 6638 1 12 . 1 1 94 94 THR CB C 280 72.787 72.787 71.507 1.280 17911 6639 1 12 . 1 1 94 94 THR H H 280 7.726 7.726 8.280 -0.554 17911 6640 1 12 . 1 1 95 95 ILE N N 281 121.214 121.214 120.801 0.413 17911 6641 1 12 . 1 1 95 95 ILE HA H 281 4.301 4.301 4.569 -0.268 17911 6642 1 12 . 1 1 95 95 ILE CA C 281 62.066 62.066 60.729 1.337 17911 6643 1 12 . 1 1 95 95 ILE CB C 281 40.539 40.539 41.620 -1.081 17911 6644 1 12 . 1 1 95 95 ILE H H 281 8.761 8.761 8.834 -0.073 17911 6645 1 12 . 1 1 96 96 LEU N N 282 128.347 128.347 125.213 3.134 17911 6646 1 12 . 1 1 96 96 LEU HA H 282 3.850 3.850 3.874 -0.024 17911 6647 1 12 . 1 1 96 96 LEU CA C 282 55.344 55.344 55.814 -0.470 17911 6648 1 12 . 1 1 96 96 LEU CB C 282 40.539 40.539 39.592 0.947 17911 6649 1 12 . 1 1 96 96 LEU H H 282 9.905 9.905 9.589 0.316 17911 6650 1 12 . 1 1 97 97 GLY N N 283 103.322 103.322 102.990 0.332 17911 6651 1 12 . 1 1 97 97 GLY CA C 283 45.645 45.645 44.728 0.917 17911 6652 1 12 . 1 1 97 97 GLY H H 283 8.937 8.937 8.688 0.249 17911 6653 1 12 . 1 1 98 98 SER N N 284 116.619 116.619 116.494 0.125 17911 6654 1 12 . 1 1 98 98 SER HA H 284 4.950 4.950 4.968 -0.018 17911 6655 1 12 . 1 1 98 98 SER CA C 284 56.961 56.961 56.997 -0.036 17911 6656 1 12 . 1 1 98 98 SER CB C 284 65.044 65.044 65.853 -0.809 17911 6657 1 12 . 1 1 98 98 SER H H 284 8.612 8.612 8.210 0.402 17911 6658 1 12 . 1 1 99 99 THR N N 285 114.513 114.513 113.992 0.521 17911 6659 1 12 . 1 1 99 99 THR HA H 285 4.598 4.598 4.495 0.103 17911 6660 1 12 . 1 1 99 99 THR CA C 285 61.739 61.739 63.346 -1.607 17911 6661 1 12 . 1 1 99 99 THR CB C 285 69.214 69.214 69.239 -0.025 17911 6662 1 12 . 1 1 99 99 THR H H 285 8.601 8.601 8.751 -0.150 17911 6663 1 12 . 1 1 100 100 ILE N N 286 117.511 117.511 115.723 1.788 17911 6664 1 12 . 1 1 100 100 ILE HA H 286 4.496 4.496 4.525 -0.029 17911 6665 1 12 . 1 1 100 100 ILE CA C 286 59.173 59.173 58.981 0.192 17911 6666 1 12 . 1 1 100 100 ILE CB C 286 41.887 41.887 41.106 0.781 17911 6667 1 12 . 1 1 100 100 ILE H H 286 7.931 7.931 7.271 0.660 17911 6668 1 12 . 1 1 101 101 LEU N N 287 121.101 121.101 120.486 0.615 17911 6669 1 12 . 1 1 101 101 LEU HA H 287 4.157 4.157 4.161 -0.004 17911 6670 1 12 . 1 1 101 101 LEU CA C 287 54.520 54.520 54.842 -0.322 17911 6671 1 12 . 1 1 101 101 LEU CB C 287 40.083 40.083 42.659 -2.576 17911 6672 1 12 . 1 1 101 101 LEU H H 287 8.025 8.025 8.112 -0.087 17911 6673 1 12 . 1 1 102 102 GLU HA H 288 3.720 3.720 4.255 -0.535 17911 6674 1 12 . 1 1 102 102 GLU CA C 288 55.770 55.770 54.548 1.222 17911 6675 1 12 . 1 1 102 102 GLU CB C 288 29.904 29.904 32.717 -2.813 17911 6676 1 12 . 1 1 103 103 ASP N N 289 121.287 121.287 120.260 1.027 17911 6677 1 12 . 1 1 103 103 ASP HA H 289 4.513 4.513 4.602 -0.089 17911 6678 1 12 . 1 1 103 103 ASP CA C 289 52.281 52.281 53.728 -1.447 17911 6679 1 12 . 1 1 103 103 ASP CB C 289 42.922 42.922 41.395 1.527 17911 6680 1 12 . 1 1 103 103 ASP H H 289 8.014 8.014 8.541 -0.527 17911 6681 1 12 . 1 1 104 104 GLU N N 290 118.245 118.245 119.930 -1.685 17911 6682 1 12 . 1 1 104 104 GLU HA H 290 3.904 3.904 3.998 -0.094 17911 6683 1 12 . 1 1 104 104 GLU CA C 290 57.614 57.614 57.591 0.023 17911 6684 1 12 . 1 1 104 104 GLU CB C 290 30.499 30.499 29.847 0.652 17911 6685 1 12 . 1 1 104 104 GLU H H 290 7.432 7.432 7.817 -0.385 17911 6686 1 12 . 1 1 105 105 PHE N N 291 120.606 120.606 118.934 1.672 17911 6687 1 12 . 1 1 105 105 PHE HA H 291 4.838 4.838 4.515 0.323 17911 6688 1 12 . 1 1 105 105 PHE CA C 291 56.536 56.536 57.892 -1.356 17911 6689 1 12 . 1 1 105 105 PHE CB C 291 39.774 39.774 39.575 0.199 17911 6690 1 12 . 1 1 105 105 PHE H H 291 8.835 8.835 7.828 1.007 17911 6691 1 12 . 1 1 106 106 THR N N 292 111.349 111.349 115.842 -4.493 17911 6692 1 12 . 1 1 106 106 THR HA H 292 4.670 4.670 4.421 0.249 17911 6693 1 12 . 1 1 106 106 THR CA C 292 59.344 59.344 60.152 -0.808 17911 6694 1 12 . 1 1 106 106 THR CB C 292 69.299 69.299 68.593 0.706 17911 6695 1 12 . 1 1 106 106 THR H H 292 8.757 8.757 8.147 0.610 17911 6696 1 12 . 1 1 107 107 PRO HA H 293 3.988 3.988 4.550 -0.562 17911 6697 1 12 . 1 1 107 107 PRO CA C 293 65.606 65.606 62.562 3.044 17911 6698 1 12 . 1 1 107 107 PRO CB C 293 31.321 31.321 32.376 -1.055 17911 6699 1 12 . 1 1 108 108 PHE N N 294 114.627 114.627 111.703 2.924 17911 6700 1 12 . 1 1 108 108 PHE HA H 294 4.201 4.201 4.106 0.095 17911 6701 1 12 . 1 1 108 108 PHE CA C 294 59.676 59.676 58.189 1.487 17911 6702 1 12 . 1 1 108 108 PHE CB C 294 38.582 38.582 36.839 1.743 17911 6703 1 12 . 1 1 108 108 PHE H H 294 7.310 7.310 8.855 -1.545 17911 6704 1 12 . 1 1 109 109 ASP N N 295 120.210 120.210 119.512 0.698 17911 6705 1 12 . 1 1 109 109 ASP HA H 295 4.404 4.404 4.407 -0.003 17911 6706 1 12 . 1 1 109 109 ASP CA C 295 57.098 57.098 56.017 1.081 17911 6707 1 12 . 1 1 109 109 ASP CB C 295 41.475 41.475 41.513 -0.038 17911 6708 1 12 . 1 1 109 109 ASP H H 295 7.837 7.837 8.745 -0.908 17911 6709 1 12 . 1 1 110 110 VAL N N 296 119.070 119.070 110.230 8.840 17911 6710 1 12 . 1 1 110 110 VAL HA H 296 3.602 3.602 4.399 -0.797 17911 6711 1 12 . 1 1 110 110 VAL CA C 296 66.491 66.491 61.529 4.962 17911 6712 1 12 . 1 1 110 110 VAL CB C 296 31.605 31.605 31.050 0.555 17911 6713 1 12 . 1 1 110 110 VAL H H 296 7.945 7.945 7.618 0.327 17911 6714 1 12 . 1 1 111 111 VAL N N 297 119.540 119.540 117.613 1.927 17911 6715 1 12 . 1 1 111 111 VAL HA H 297 3.601 3.601 4.143 -0.542 17911 6716 1 12 . 1 1 111 111 VAL CA C 297 66.379 66.379 64.269 2.110 17911 6717 1 12 . 1 1 111 111 VAL CB C 297 31.605 31.605 31.631 -0.026 17911 6718 1 12 . 1 1 111 111 VAL H H 297 8.109 8.109 7.242 0.867 17911 6719 1 12 . 1 1 112 112 ARG N N 298 119.680 119.680 120.560 -0.880 17911 6720 1 12 . 1 1 112 112 ARG HA H 298 4.010 4.010 4.206 -0.196 17911 6721 1 12 . 1 1 112 112 ARG CA C 298 58.634 58.634 55.208 3.426 17911 6722 1 12 . 1 1 112 112 ARG CB C 298 30.028 30.028 27.655 2.373 17911 6723 1 12 . 1 1 112 112 ARG H H 298 7.710 7.710 8.329 -0.619 17911 6724 1 12 . 1 1 113 113 GLN N N 299 117.786 117.786 114.554 3.232 17911 6725 1 12 . 1 1 113 113 GLN HA H 299 4.158 4.158 3.873 0.285 17911 6726 1 12 . 1 1 113 113 GLN CA C 299 57.557 57.557 56.872 0.685 17911 6727 1 12 . 1 1 113 113 GLN CB C 299 29.308 29.308 26.054 3.254 17911 6728 1 12 . 1 1 113 113 GLN H H 299 8.033 8.033 8.712 -0.679 17911 6729 1 12 . 1 1 114 114 CYS N N 300 115.786 115.786 117.510 -1.724 17911 6730 1 12 . 1 1 114 114 CYS HA H 300 4.470 4.470 4.475 -0.005 17911 6731 1 12 . 1 1 114 114 CYS CA C 300 59.934 59.934 59.781 0.153 17911 6732 1 12 . 1 1 114 114 CYS CB C 300 28.293 28.293 26.438 1.855 17911 6733 1 12 . 1 1 114 114 CYS H H 300 8.071 8.071 7.808 0.263 17911 6734 1 12 . 1 1 115 115 SER N N 301 116.258 116.258 114.588 1.670 17911 6735 1 12 . 1 1 115 115 SER HA H 301 4.407 4.407 4.250 0.157 17911 6736 1 12 . 1 1 115 115 SER CA C 301 59.485 59.485 60.270 -0.785 17911 6737 1 12 . 1 1 115 115 SER CB C 301 63.286 63.286 63.102 0.184 17911 6738 1 12 . 1 1 115 115 SER H H 301 7.883 7.883 8.463 -0.580 17911 6739 1 12 . 1 1 116 116 GLY N N 302 110.709 110.709 107.659 3.050 17911 6740 1 12 . 1 1 116 116 GLY CA C 302 45.239 45.239 45.289 -0.050 17911 6741 1 12 . 1 1 116 116 GLY H H 302 8.355 8.355 7.470 0.885 17911 6742 1 12 . 1 1 117 117 VAL N N 303 119.189 119.189 117.459 1.730 17911 6743 1 12 . 1 1 117 117 VAL HA H 303 4.057 4.057 3.970 0.087 17911 6744 1 12 . 1 1 117 117 VAL CA C 303 62.236 62.236 63.763 -1.527 17911 6745 1 12 . 1 1 117 117 VAL CB C 303 32.626 32.626 31.865 0.761 17911 6746 1 12 . 1 1 117 117 VAL H H 303 7.710 7.710 7.871 -0.161 17911 6747 1 12 . 1 1 118 118 THR N N 304 118.009 118.009 112.066 5.943 17911 6748 1 12 . 1 1 118 118 THR HA H 304 4.279 4.279 4.214 0.065 17911 6749 1 12 . 1 1 118 118 THR CA C 304 61.556 61.556 61.035 0.521 17911 6750 1 12 . 1 1 118 118 THR CB C 304 69.894 69.894 70.249 -0.355 17911 6751 1 12 . 1 1 118 118 THR H H 304 8.109 8.109 7.043 1.066 17911 6752 1 12 . 1 1 119 119 PHE N N 305 123.287 123.287 117.898 5.389 17911 6753 1 12 . 1 1 119 119 PHE HA H 305 4.605 4.605 4.859 -0.254 17911 6754 1 12 . 1 1 119 119 PHE CA C 305 57.727 57.727 56.979 0.748 17911 6755 1 12 . 1 1 119 119 PHE CB C 305 39.859 39.859 41.516 -1.657 17911 6756 1 12 . 1 1 119 119 PHE H H 305 8.298 8.298 8.243 0.055 17911 6757 1 13 . 1 1 2 2 ARG N N 188 121.886 121.886 121.737 0.149 17911 6758 1 13 . 1 1 2 2 ARG HA H 188 4.242 4.242 3.959 0.283 17911 6759 1 13 . 1 1 2 2 ARG CA C 188 56.487 56.487 59.170 -2.683 17911 6760 1 13 . 1 1 2 2 ARG CB C 188 30.857 30.857 30.469 0.388 17911 6761 1 13 . 1 1 2 2 ARG H H 188 8.475 8.475 8.702 -0.227 17911 6762 1 13 . 1 1 3 3 GLN N N 189 121.336 121.336 117.063 4.273 17911 6763 1 13 . 1 1 3 3 GLN HA H 189 4.302 4.302 4.145 0.157 17911 6764 1 13 . 1 1 3 3 GLN CA C 189 56.366 56.366 58.281 -1.915 17911 6765 1 13 . 1 1 3 3 GLN CB C 189 29.254 29.254 28.894 0.360 17911 6766 1 13 . 1 1 3 3 GLN H H 189 8.553 8.553 8.468 0.085 17911 6767 1 13 . 1 1 4 4 THR N N 190 115.273 115.273 110.973 4.300 17911 6768 1 13 . 1 1 4 4 THR HA H 190 4.275 4.275 4.420 -0.145 17911 6769 1 13 . 1 1 4 4 THR CA C 190 62.066 62.066 62.909 -0.843 17911 6770 1 13 . 1 1 4 4 THR CB C 190 69.894 69.894 69.501 0.393 17911 6771 1 13 . 1 1 4 4 THR H H 190 8.123 8.123 7.640 0.483 17911 6772 1 13 . 1 1 5 5 ALA N N 191 126.029 126.029 124.908 1.121 17911 6773 1 13 . 1 1 5 5 ALA HA H 191 4.247 4.247 4.000 0.247 17911 6774 1 13 . 1 1 5 5 ALA CA C 191 52.537 52.537 54.739 -2.202 17911 6775 1 13 . 1 1 5 5 ALA CB C 191 19.183 19.183 17.763 1.420 17911 6776 1 13 . 1 1 5 5 ALA H H 191 8.284 8.284 8.544 -0.260 17911 6777 1 13 . 1 1 6 6 GLN N N 192 119.614 119.614 117.864 1.750 17911 6778 1 13 . 1 1 6 6 GLN HA H 192 4.217 4.217 4.033 0.184 17911 6779 1 13 . 1 1 6 6 GLN CA C 192 55.685 55.685 57.790 -2.105 17911 6780 1 13 . 1 1 6 6 GLN CB C 192 29.513 29.513 28.337 1.176 17911 6781 1 13 . 1 1 6 6 GLN H H 192 8.287 8.287 8.535 -0.248 17911 6782 1 13 . 1 1 7 7 ALA N N 193 125.571 125.571 119.820 5.751 17911 6783 1 13 . 1 1 7 7 ALA HA H 193 4.246 4.246 4.309 -0.063 17911 6784 1 13 . 1 1 7 7 ALA CA C 193 52.537 52.537 52.526 0.011 17911 6785 1 13 . 1 1 7 7 ALA CB C 193 19.268 19.268 19.454 -0.186 17911 6786 1 13 . 1 1 7 7 ALA H H 193 8.271 8.271 7.522 0.749 17911 6787 1 13 . 1 1 8 8 ALA N N 194 123.461 123.461 120.721 2.740 17911 6788 1 13 . 1 1 8 8 ALA HA H 194 4.250 4.250 4.193 0.057 17911 6789 1 13 . 1 1 8 8 ALA CA C 194 52.593 52.593 52.584 0.009 17911 6790 1 13 . 1 1 8 8 ALA CB C 194 19.324 19.324 16.947 2.377 17911 6791 1 13 . 1 1 8 8 ALA H H 194 8.275 8.275 7.553 0.722 17911 6792 1 13 . 1 1 9 9 GLY N N 195 108.312 108.312 110.026 -1.714 17911 6793 1 13 . 1 1 9 9 GLY CA C 195 45.219 45.219 45.413 -0.194 17911 6794 1 13 . 1 1 9 9 GLY H H 195 8.328 8.328 8.180 0.148 17911 6795 1 13 . 1 1 10 10 THR N N 196 112.710 112.710 111.155 1.555 17911 6796 1 13 . 1 1 10 10 THR HA H 196 4.334 4.334 4.531 -0.197 17911 6797 1 13 . 1 1 10 10 THR CA C 196 61.471 61.471 61.158 0.313 17911 6798 1 13 . 1 1 10 10 THR CB C 196 69.894 69.894 70.625 -0.731 17911 6799 1 13 . 1 1 10 10 THR H H 196 7.998 7.998 7.878 0.120 17911 6800 1 13 . 1 1 11 11 ASP N N 197 122.862 122.862 123.152 -0.290 17911 6801 1 13 . 1 1 11 11 ASP HA H 197 4.609 4.609 4.499 0.110 17911 6802 1 13 . 1 1 11 11 ASP CA C 197 54.262 54.262 55.883 -1.621 17911 6803 1 13 . 1 1 11 11 ASP CB C 197 41.135 41.135 41.588 -0.453 17911 6804 1 13 . 1 1 11 11 ASP H H 197 8.404 8.404 8.474 -0.070 17911 6805 1 13 . 1 1 12 12 THR N N 198 114.709 114.709 108.851 5.858 17911 6806 1 13 . 1 1 12 12 THR HA H 198 4.400 4.400 4.167 0.233 17911 6807 1 13 . 1 1 12 12 THR CA C 198 61.223 61.223 62.775 -1.552 17911 6808 1 13 . 1 1 12 12 THR CB C 198 70.490 70.490 68.581 1.909 17911 6809 1 13 . 1 1 12 12 THR H H 198 7.895 7.895 7.824 0.071 17911 6810 1 13 . 1 1 13 13 THR N N 199 122.785 122.785 115.903 6.882 17911 6811 1 13 . 1 1 13 13 THR HA H 199 3.961 3.961 4.514 -0.553 17911 6812 1 13 . 1 1 13 13 THR CA C 199 63.286 63.286 61.442 1.844 17911 6813 1 13 . 1 1 13 13 THR CB C 199 68.958 68.958 70.311 -1.353 17911 6814 1 13 . 1 1 13 13 THR H H 199 8.354 8.354 8.186 0.168 17911 6815 1 13 . 1 1 14 14 ILE N N 200 127.902 127.902 128.985 -1.083 17911 6816 1 13 . 1 1 14 14 ILE HA H 200 3.807 3.807 4.145 -0.338 17911 6817 1 13 . 1 1 14 14 ILE CA C 200 60.965 60.965 58.913 2.052 17911 6818 1 13 . 1 1 14 14 ILE CB C 200 35.860 35.860 34.913 0.946 17911 6819 1 13 . 1 1 14 14 ILE H H 200 9.362 9.362 9.284 0.078 17911 6820 1 13 . 1 1 15 15 THR N N 201 130.379 130.379 122.879 7.500 17911 6821 1 13 . 1 1 15 15 THR HA H 201 3.521 3.521 4.067 -0.546 17911 6822 1 13 . 1 1 15 15 THR CA C 201 66.637 66.637 66.954 -0.317 17911 6823 1 13 . 1 1 15 15 THR CB C 201 67.411 67.411 68.575 -1.164 17911 6824 1 13 . 1 1 15 15 THR H H 201 7.834 7.834 8.121 -0.287 17911 6825 1 13 . 1 1 16 16 LEU N N 202 120.049 120.049 121.804 -1.755 17911 6826 1 13 . 1 1 16 16 LEU HA H 202 3.715 3.715 4.110 -0.395 17911 6827 1 13 . 1 1 16 16 LEU CA C 202 58.387 58.387 58.715 -0.328 17911 6828 1 13 . 1 1 16 16 LEU CB C 202 43.148 43.148 41.718 1.430 17911 6829 1 13 . 1 1 16 16 LEU H H 202 8.913 8.913 8.610 0.303 17911 6830 1 13 . 1 1 17 17 ASN N N 203 117.390 117.390 117.447 -0.057 17911 6831 1 13 . 1 1 17 17 ASN HA H 203 4.594 4.594 4.767 -0.173 17911 6832 1 13 . 1 1 17 17 ASN CA C 203 54.520 54.520 55.736 -1.216 17911 6833 1 13 . 1 1 17 17 ASN CB C 203 37.246 37.246 38.238 -0.992 17911 6834 1 13 . 1 1 17 17 ASN H H 203 6.926 6.926 8.073 -1.147 17911 6835 1 13 . 1 1 18 18 VAL N N 204 123.434 123.434 122.600 0.834 17911 6836 1 13 . 1 1 18 18 VAL HA H 204 4.242 4.242 4.017 0.225 17911 6837 1 13 . 1 1 18 18 VAL CA C 204 66.236 66.236 66.700 -0.464 17911 6838 1 13 . 1 1 18 18 VAL CB C 204 31.605 31.605 31.899 -0.294 17911 6839 1 13 . 1 1 18 18 VAL H H 204 7.660 7.660 7.781 -0.121 17911 6840 1 13 . 1 1 19 19 LEU N N 205 117.301 117.301 120.077 -2.776 17911 6841 1 13 . 1 1 19 19 LEU HA H 205 3.945 3.945 3.946 -0.001 17911 6842 1 13 . 1 1 19 19 LEU CA C 205 58.408 58.408 58.268 0.140 17911 6843 1 13 . 1 1 19 19 LEU CB C 205 42.918 42.918 41.261 1.657 17911 6844 1 13 . 1 1 19 19 LEU H H 205 8.573 8.573 8.618 -0.045 17911 6845 1 13 . 1 1 20 20 ALA N N 206 120.290 120.290 122.172 -1.882 17911 6846 1 13 . 1 1 20 20 ALA HA H 206 4.012 4.012 4.201 -0.189 17911 6847 1 13 . 1 1 20 20 ALA CA C 206 56.195 56.195 55.421 0.774 17911 6848 1 13 . 1 1 20 20 ALA CB C 206 17.911 17.911 18.385 -0.474 17911 6849 1 13 . 1 1 20 20 ALA H H 206 8.188 8.188 8.421 -0.233 17911 6850 1 13 . 1 1 21 21 TRP N N 207 121.219 121.219 121.039 0.180 17911 6851 1 13 . 1 1 21 21 TRP HA H 207 4.110 4.110 4.227 -0.117 17911 6852 1 13 . 1 1 21 21 TRP CA C 207 61.224 61.224 62.334 -1.110 17911 6853 1 13 . 1 1 21 21 TRP CB C 207 28.712 28.712 29.417 -0.705 17911 6854 1 13 . 1 1 21 21 TRP H H 207 8.406 8.406 8.463 -0.057 17911 6855 1 13 . 1 1 22 22 LEU HA H 208 3.517 3.517 3.597 -0.080 17911 6856 1 13 . 1 1 22 22 LEU CA C 208 57.897 57.897 57.897 0.000 17911 6857 1 13 . 1 1 22 22 LEU CB C 208 40.880 40.880 41.356 -0.476 17911 6858 1 13 . 1 1 22 22 LEU H H 208 8.620 8.620 8.755 -0.135 17911 6859 1 13 . 1 1 23 23 TYR N N 209 117.656 117.656 119.357 -1.701 17911 6860 1 13 . 1 1 23 23 TYR HA H 209 3.956 3.956 4.107 -0.151 17911 6861 1 13 . 1 1 23 23 TYR CA C 209 64.704 64.704 61.976 2.728 17911 6862 1 13 . 1 1 23 23 TYR CB C 209 38.793 38.793 37.627 1.166 17911 6863 1 13 . 1 1 23 23 TYR H H 209 8.368 8.368 8.511 -0.143 17911 6864 1 13 . 1 1 24 24 ALA N N 210 122.658 122.658 121.351 1.307 17911 6865 1 13 . 1 1 24 24 ALA HA H 210 3.837 3.837 3.794 0.043 17911 6866 1 13 . 1 1 24 24 ALA CA C 210 55.036 55.036 54.895 0.141 17911 6867 1 13 . 1 1 24 24 ALA CB C 210 17.311 17.311 17.631 -0.320 17911 6868 1 13 . 1 1 24 24 ALA H H 210 8.461 8.461 8.434 0.027 17911 6869 1 13 . 1 1 25 25 ALA N N 211 123.868 123.868 121.741 2.127 17911 6870 1 13 . 1 1 25 25 ALA HA H 211 3.761 3.761 3.725 0.036 17911 6871 1 13 . 1 1 25 25 ALA CA C 211 55.551 55.551 54.747 0.804 17911 6872 1 13 . 1 1 25 25 ALA CB C 211 17.992 17.992 18.107 -0.115 17911 6873 1 13 . 1 1 25 25 ALA H H 211 8.564 8.564 7.770 0.794 17911 6874 1 13 . 1 1 26 26 VAL N N 212 119.783 119.783 119.763 0.020 17911 6875 1 13 . 1 1 26 26 VAL HA H 212 3.487 3.487 3.654 -0.167 17911 6876 1 13 . 1 1 26 26 VAL CA C 212 66.576 66.576 66.797 -0.221 17911 6877 1 13 . 1 1 26 26 VAL CB C 212 31.575 31.575 31.534 0.041 17911 6878 1 13 . 1 1 26 26 VAL H H 212 8.008 8.008 8.007 0.001 17911 6879 1 13 . 1 1 27 27 ILE N N 213 124.428 124.428 118.287 6.141 17911 6880 1 13 . 1 1 27 27 ILE HA H 213 3.559 3.559 3.666 -0.107 17911 6881 1 13 . 1 1 27 27 ILE CA C 213 65.526 65.526 64.697 0.829 17911 6882 1 13 . 1 1 27 27 ILE CB C 213 37.902 37.902 37.648 0.255 17911 6883 1 13 . 1 1 27 27 ILE H H 213 8.576 8.576 8.310 0.266 17911 6884 1 13 . 1 1 28 28 ASN N N 214 116.563 116.563 116.045 0.518 17911 6885 1 13 . 1 1 28 28 ASN HA H 214 4.565 4.565 4.579 -0.014 17911 6886 1 13 . 1 1 28 28 ASN CA C 214 54.579 54.579 54.956 -0.378 17911 6887 1 13 . 1 1 28 28 ASN CB C 214 40.340 40.340 40.343 -0.003 17911 6888 1 13 . 1 1 28 28 ASN H H 214 7.714 7.714 8.058 -0.344 17911 6889 1 13 . 1 1 29 29 GLY N N 215 107.004 107.004 106.419 0.585 17911 6890 1 13 . 1 1 29 29 GLY CA C 215 45.683 45.683 45.125 0.558 17911 6891 1 13 . 1 1 29 29 GLY H H 215 7.861 7.861 8.381 -0.520 17911 6892 1 13 . 1 1 30 30 ASP N N 216 125.780 125.780 124.852 0.928 17911 6893 1 13 . 1 1 30 30 ASP HA H 216 5.019 5.019 4.562 0.457 17911 6894 1 13 . 1 1 30 30 ASP CA C 216 53.643 53.643 55.094 -1.451 17911 6895 1 13 . 1 1 30 30 ASP CB C 216 41.561 41.561 40.270 1.291 17911 6896 1 13 . 1 1 30 30 ASP H H 216 8.560 8.560 7.860 0.700 17911 6897 1 13 . 1 1 31 31 ARG N N 217 115.297 115.297 120.231 -4.934 17911 6898 1 13 . 1 1 31 31 ARG HA H 217 3.711 3.711 3.230 0.481 17911 6899 1 13 . 1 1 31 31 ARG CA C 217 54.520 54.520 55.209 -0.689 17911 6900 1 13 . 1 1 31 31 ARG CB C 217 32.116 32.116 30.909 1.207 17911 6901 1 13 . 1 1 31 31 ARG H H 217 7.984 7.984 7.561 0.423 17911 6902 1 13 . 1 1 32 32 TRP N N 218 119.754 119.754 120.315 -0.561 17911 6903 1 13 . 1 1 32 32 TRP HA H 218 4.120 4.120 4.272 -0.152 17911 6904 1 13 . 1 1 32 32 TRP CA C 218 58.387 58.387 57.592 0.795 17911 6905 1 13 . 1 1 32 32 TRP CB C 218 28.372 28.372 28.369 0.003 17911 6906 1 13 . 1 1 32 32 TRP H H 218 7.368 7.368 7.290 0.078 17911 6907 1 13 . 1 1 33 33 PHE HA H 219 3.919 3.919 4.640 -0.721 17911 6908 1 13 . 1 1 33 33 PHE CA C 219 55.315 55.315 56.547 -1.232 17911 6909 1 13 . 1 1 33 33 PHE CB C 219 37.277 37.277 37.597 -0.320 17911 6910 1 13 . 1 1 34 34 LEU N N 220 122.632 122.632 121.351 1.281 17911 6911 1 13 . 1 1 34 34 LEU HA H 220 3.931 3.931 4.091 -0.160 17911 6912 1 13 . 1 1 34 34 LEU CA C 220 55.315 55.315 55.515 -0.200 17911 6913 1 13 . 1 1 34 34 LEU CB C 220 40.790 40.790 41.792 -1.002 17911 6914 1 13 . 1 1 34 34 LEU H H 220 6.447 6.447 7.179 -0.732 17911 6915 1 13 . 1 1 35 35 ASN N N 221 119.503 119.503 118.184 1.319 17911 6916 1 13 . 1 1 35 35 ASN HA H 221 4.709 4.709 4.777 -0.068 17911 6917 1 13 . 1 1 35 35 ASN CA C 221 52.026 52.026 52.025 0.001 17911 6918 1 13 . 1 1 35 35 ASN CB C 221 40.598 40.598 40.329 0.269 17911 6919 1 13 . 1 1 35 35 ASN H H 221 8.105 8.105 8.373 -0.268 17911 6920 1 13 . 1 1 36 36 ARG N N 222 116.408 116.408 118.014 -1.606 17911 6921 1 13 . 1 1 36 36 ARG HA H 222 4.293 4.293 4.252 0.041 17911 6922 1 13 . 1 1 36 36 ARG CA C 222 55.600 55.600 55.458 0.142 17911 6923 1 13 . 1 1 36 36 ARG CB C 222 28.997 28.997 28.070 0.927 17911 6924 1 13 . 1 1 36 36 ARG H H 222 8.099 8.099 8.270 -0.171 17911 6925 1 13 . 1 1 37 37 PHE N N 223 120.398 120.398 118.753 1.645 17911 6926 1 13 . 1 1 37 37 PHE HA H 223 4.813 4.813 4.951 -0.138 17911 6927 1 13 . 1 1 37 37 PHE CA C 223 56.081 56.081 55.985 0.096 17911 6928 1 13 . 1 1 37 37 PHE CB C 223 40.085 40.085 41.949 -1.864 17911 6929 1 13 . 1 1 37 37 PHE H H 223 7.842 7.842 7.485 0.357 17911 6930 1 13 . 1 1 38 38 THR N N 224 112.040 112.040 109.081 2.959 17911 6931 1 13 . 1 1 38 38 THR HA H 224 4.653 4.653 4.935 -0.282 17911 6932 1 13 . 1 1 38 38 THR CA C 224 60.708 60.708 60.415 0.293 17911 6933 1 13 . 1 1 38 38 THR CB C 224 71.000 71.000 71.365 -0.365 17911 6934 1 13 . 1 1 38 38 THR H H 224 8.231 8.231 8.362 -0.131 17911 6935 1 13 . 1 1 39 39 THR N N 225 116.627 116.627 113.672 2.955 17911 6936 1 13 . 1 1 39 39 THR HA H 225 4.925 4.925 4.682 0.243 17911 6937 1 13 . 1 1 39 39 THR CA C 225 59.677 59.677 60.010 -0.333 17911 6938 1 13 . 1 1 39 39 THR CB C 225 69.989 69.989 70.612 -0.623 17911 6939 1 13 . 1 1 39 39 THR H H 225 8.107 8.107 8.064 0.043 17911 6940 1 13 . 1 1 40 40 THR N N 226 111.263 111.263 116.516 -5.253 17911 6941 1 13 . 1 1 40 40 THR HA H 226 4.727 4.727 4.466 0.261 17911 6942 1 13 . 1 1 40 40 THR CA C 226 59.740 59.740 61.412 -1.672 17911 6943 1 13 . 1 1 40 40 THR CB C 226 72.052 72.052 70.058 1.994 17911 6944 1 13 . 1 1 40 40 THR H H 226 8.481 8.481 8.216 0.265 17911 6945 1 13 . 1 1 41 41 LEU N N 227 123.989 123.989 124.047 -0.058 17911 6946 1 13 . 1 1 41 41 LEU HA H 227 3.986 3.986 4.148 -0.162 17911 6947 1 13 . 1 1 41 41 LEU CA C 227 58.903 58.903 58.269 0.634 17911 6948 1 13 . 1 1 41 41 LEU CB C 227 41.561 41.561 42.047 -0.486 17911 6949 1 13 . 1 1 41 41 LEU H H 227 9.259 9.259 8.762 0.497 17911 6950 1 13 . 1 1 42 42 ASN N N 228 115.183 115.183 117.141 -1.958 17911 6951 1 13 . 1 1 42 42 ASN HA H 228 4.435 4.435 4.414 0.021 17911 6952 1 13 . 1 1 42 42 ASN CA C 228 56.961 56.961 57.336 -0.375 17911 6953 1 13 . 1 1 42 42 ASN CB C 228 38.497 38.497 38.140 0.357 17911 6954 1 13 . 1 1 42 42 ASN H H 228 8.598 8.598 8.488 0.110 17911 6955 1 13 . 1 1 43 43 ASP N N 229 118.746 118.746 120.266 -1.520 17911 6956 1 13 . 1 1 43 43 ASP HA H 229 4.367 4.367 4.445 -0.078 17911 6957 1 13 . 1 1 43 43 ASP CA C 229 57.387 57.387 57.139 0.249 17911 6958 1 13 . 1 1 43 43 ASP CB C 229 40.625 40.625 40.913 -0.289 17911 6959 1 13 . 1 1 43 43 ASP H H 229 7.847 7.847 7.948 -0.101 17911 6960 1 13 . 1 1 44 44 PHE N N 230 120.193 120.193 121.112 -0.919 17911 6961 1 13 . 1 1 44 44 PHE HA H 230 3.808 3.808 4.095 -0.287 17911 6962 1 13 . 1 1 44 44 PHE CA C 230 62.747 62.747 61.831 0.916 17911 6963 1 13 . 1 1 44 44 PHE CB C 230 38.753 38.753 39.204 -0.451 17911 6964 1 13 . 1 1 44 44 PHE H H 230 8.547 8.547 8.406 0.141 17911 6965 1 13 . 1 1 45 45 ASN N N 231 118.852 118.852 118.440 0.412 17911 6966 1 13 . 1 1 45 45 ASN HA H 231 4.472 4.472 4.247 0.225 17911 6967 1 13 . 1 1 45 45 ASN CA C 231 55.344 55.344 56.216 -0.872 17911 6968 1 13 . 1 1 45 45 ASN CB C 231 37.391 37.391 38.057 -0.666 17911 6969 1 13 . 1 1 45 45 ASN H H 231 8.727 8.727 8.547 0.180 17911 6970 1 13 . 1 1 46 46 LEU N N 232 120.221 120.221 120.764 -0.543 17911 6971 1 13 . 1 1 46 46 LEU HA H 232 4.065 4.065 3.930 0.135 17911 6972 1 13 . 1 1 46 46 LEU CA C 232 58.152 58.152 58.313 -0.161 17911 6973 1 13 . 1 1 46 46 LEU CB C 232 42.071 42.071 41.846 0.225 17911 6974 1 13 . 1 1 46 46 LEU H H 232 7.516 7.516 8.351 -0.835 17911 6975 1 13 . 1 1 47 47 VAL N N 233 119.649 119.649 118.535 1.114 17911 6976 1 13 . 1 1 47 47 VAL HA H 233 3.604 3.604 3.460 0.144 17911 6977 1 13 . 1 1 47 47 VAL CA C 233 65.864 65.864 66.447 -0.583 17911 6978 1 13 . 1 1 47 47 VAL CB C 233 31.575 31.575 31.591 -0.016 17911 6979 1 13 . 1 1 47 47 VAL H H 233 6.987 6.987 7.943 -0.956 17911 6980 1 13 . 1 1 48 48 ALA N N 234 122.056 122.056 122.062 -0.006 17911 6981 1 13 . 1 1 48 48 ALA HA H 234 3.451 3.451 3.823 -0.372 17911 6982 1 13 . 1 1 48 48 ALA CA C 234 55.741 55.741 55.108 0.633 17911 6983 1 13 . 1 1 48 48 ALA CB C 234 16.971 16.971 18.141 -1.170 17911 6984 1 13 . 1 1 48 48 ALA H H 234 8.480 8.480 8.112 0.368 17911 6985 1 13 . 1 1 49 49 MET N N 235 114.180 114.180 117.775 -3.595 17911 6986 1 13 . 1 1 49 49 MET HA H 235 4.272 4.272 4.102 0.170 17911 6987 1 13 . 1 1 49 49 MET CA C 235 59.003 59.003 58.819 0.184 17911 6988 1 13 . 1 1 49 49 MET CB C 235 32.967 32.967 32.551 0.416 17911 6989 1 13 . 1 1 49 49 MET H H 235 7.950 7.950 8.377 -0.427 17911 6990 1 13 . 1 1 50 50 LYS N N 236 120.217 120.217 120.513 -0.296 17911 6991 1 13 . 1 1 50 50 LYS HA H 236 3.945 3.945 3.820 0.125 17911 6992 1 13 . 1 1 50 50 LYS CA C 236 58.378 58.378 58.614 -0.236 17911 6993 1 13 . 1 1 50 50 LYS CB C 236 31.833 31.833 32.242 -0.409 17911 6994 1 13 . 1 1 50 50 LYS H H 236 7.378 7.378 8.066 -0.688 17911 6995 1 13 . 1 1 51 51 TYR N N 237 115.853 115.853 115.546 0.307 17911 6996 1 13 . 1 1 51 51 TYR HA H 237 4.462 4.462 4.688 -0.226 17911 6997 1 13 . 1 1 51 51 TYR CA C 237 58.293 58.293 56.823 1.470 17911 6998 1 13 . 1 1 51 51 TYR CB C 237 38.668 38.668 37.438 1.230 17911 6999 1 13 . 1 1 51 51 TYR H H 237 7.392 7.392 7.366 0.026 17911 7000 1 13 . 1 1 52 52 ASN N N 238 115.965 115.965 114.916 1.049 17911 7001 1 13 . 1 1 52 52 ASN HA H 238 4.403 4.403 4.276 0.127 17911 7002 1 13 . 1 1 52 52 ASN CA C 238 54.834 54.834 54.346 0.488 17911 7003 1 13 . 1 1 52 52 ASN CB C 238 36.881 36.881 37.614 -0.732 17911 7004 1 13 . 1 1 52 52 ASN H H 238 7.914 7.914 7.782 0.132 17911 7005 1 13 . 1 1 53 53 TYR N N 239 120.379 120.379 119.380 0.999 17911 7006 1 13 . 1 1 53 53 TYR HA H 239 4.675 4.675 4.479 0.196 17911 7007 1 13 . 1 1 53 53 TYR CA C 239 57.387 57.387 58.722 -1.335 17911 7008 1 13 . 1 1 53 53 TYR CB C 239 37.788 37.788 38.446 -0.658 17911 7009 1 13 . 1 1 53 53 TYR H H 239 8.341 8.341 8.188 0.153 17911 7010 1 13 . 1 1 54 54 GLU N N 240 122.559 122.559 122.958 -0.399 17911 7011 1 13 . 1 1 54 54 GLU HA H 240 4.317 4.317 4.285 0.032 17911 7012 1 13 . 1 1 54 54 GLU CA C 240 54.579 54.579 56.216 -1.637 17911 7013 1 13 . 1 1 54 54 GLU CB C 240 30.802 30.802 29.552 1.250 17911 7014 1 13 . 1 1 54 54 GLU H H 240 8.114 8.114 8.598 -0.484 17911 7015 1 13 . 1 1 55 55 PRO HA H 241 4.314 4.314 4.490 -0.176 17911 7016 1 13 . 1 1 55 55 PRO CA C 241 62.973 62.973 62.553 0.420 17911 7017 1 13 . 1 1 55 55 PRO CB C 241 31.917 31.917 32.579 -0.662 17911 7018 1 13 . 1 1 56 56 LEU N N 242 124.468 124.468 120.413 4.055 17911 7019 1 13 . 1 1 56 56 LEU HA H 242 5.200 5.200 4.680 0.520 17911 7020 1 13 . 1 1 56 56 LEU CA C 242 53.747 53.747 53.982 -0.235 17911 7021 1 13 . 1 1 56 56 LEU CB C 242 45.560 45.560 46.520 -0.960 17911 7022 1 13 . 1 1 56 56 LEU H H 242 9.650 9.650 9.204 0.446 17911 7023 1 13 . 1 1 57 57 THR N N 243 116.700 116.700 113.177 3.523 17911 7024 1 13 . 1 1 57 57 THR HA H 243 4.664 4.664 4.863 -0.199 17911 7025 1 13 . 1 1 57 57 THR CA C 243 59.429 59.429 59.719 -0.290 17911 7026 1 13 . 1 1 57 57 THR CB C 243 71.851 71.851 71.862 -0.011 17911 7027 1 13 . 1 1 57 57 THR H H 243 9.279 9.279 8.527 0.752 17911 7028 1 13 . 1 1 58 58 GLN N N 244 119.764 119.764 121.600 -1.836 17911 7029 1 13 . 1 1 58 58 GLN HA H 244 3.827 3.827 4.053 -0.226 17911 7030 1 13 . 1 1 58 58 GLN CA C 244 58.130 58.130 59.301 -1.171 17911 7031 1 13 . 1 1 58 58 GLN CB C 244 27.777 27.777 28.162 -0.385 17911 7032 1 13 . 1 1 58 58 GLN H H 244 8.959 8.959 8.941 0.018 17911 7033 1 13 . 1 1 59 59 ASP N N 245 117.059 117.059 116.719 0.340 17911 7034 1 13 . 1 1 59 59 ASP HA H 245 4.325 4.325 4.329 -0.004 17911 7035 1 13 . 1 1 59 59 ASP CA C 245 57.301 57.301 57.146 0.155 17911 7036 1 13 . 1 1 59 59 ASP CB C 245 40.029 40.029 40.511 -0.482 17911 7037 1 13 . 1 1 59 59 ASP H H 245 7.838 7.838 8.806 -0.968 17911 7038 1 13 . 1 1 60 60 HIS N N 246 119.076 119.076 118.547 0.529 17911 7039 1 13 . 1 1 60 60 HIS HA H 246 4.296 4.296 4.403 -0.107 17911 7040 1 13 . 1 1 60 60 HIS CA C 246 58.645 58.645 59.274 -0.629 17911 7041 1 13 . 1 1 60 60 HIS CB C 246 32.864 32.864 30.093 2.771 17911 7042 1 13 . 1 1 60 60 HIS H H 246 7.333 7.333 7.417 -0.084 17911 7043 1 13 . 1 1 61 61 VAL N N 247 118.215 118.215 119.562 -1.347 17911 7044 1 13 . 1 1 61 61 VAL HA H 247 3.400 3.400 3.695 -0.295 17911 7045 1 13 . 1 1 61 61 VAL CA C 247 67.257 67.257 66.778 0.479 17911 7046 1 13 . 1 1 61 61 VAL CB C 247 31.010 31.010 31.642 -0.632 17911 7047 1 13 . 1 1 61 61 VAL H H 247 7.565 7.565 8.467 -0.902 17911 7048 1 13 . 1 1 62 62 ASP N N 248 119.651 119.651 120.298 -0.647 17911 7049 1 13 . 1 1 62 62 ASP HA H 248 4.358 4.358 4.377 -0.019 17911 7050 1 13 . 1 1 62 62 ASP CA C 248 57.557 57.557 57.413 0.143 17911 7051 1 13 . 1 1 62 62 ASP CB C 248 40.027 40.027 40.990 -0.963 17911 7052 1 13 . 1 1 62 62 ASP H H 248 8.142 8.142 8.412 -0.270 17911 7053 1 13 . 1 1 63 63 ILE N N 249 123.545 123.545 119.169 4.376 17911 7054 1 13 . 1 1 63 63 ILE HA H 249 3.756 3.756 3.943 -0.187 17911 7055 1 13 . 1 1 63 63 ILE CA C 249 64.832 64.832 63.953 0.879 17911 7056 1 13 . 1 1 63 63 ILE CB C 249 37.817 37.817 37.891 -0.074 17911 7057 1 13 . 1 1 63 63 ILE H H 249 8.017 8.017 7.381 0.636 17911 7058 1 13 . 1 1 64 64 LEU N N 250 117.125 117.125 118.804 -1.679 17911 7059 1 13 . 1 1 64 64 LEU HA H 250 4.094 4.094 4.360 -0.266 17911 7060 1 13 . 1 1 64 64 LEU CA C 250 55.004 55.004 55.492 -0.488 17911 7061 1 13 . 1 1 64 64 LEU CB C 250 42.662 42.662 41.021 1.641 17911 7062 1 13 . 1 1 64 64 LEU H H 250 7.217 7.217 7.864 -0.647 17911 7063 1 13 . 1 1 65 65 GLY N N 251 108.388 108.388 109.338 -0.950 17911 7064 1 13 . 1 1 65 65 GLY CA C 251 48.708 48.708 48.521 0.187 17911 7065 1 13 . 1 1 65 65 GLY H H 251 7.794 7.794 8.424 -0.630 17911 7066 1 13 . 1 1 66 66 PRO HA H 252 4.243 4.243 4.167 0.076 17911 7067 1 13 . 1 1 66 66 PRO CA C 252 66.036 66.036 64.164 1.872 17911 7068 1 13 . 1 1 66 66 PRO CB C 252 32.172 32.172 30.828 1.344 17911 7069 1 13 . 1 1 67 67 LEU N N 253 117.852 117.852 117.871 -0.019 17911 7070 1 13 . 1 1 67 67 LEU HA H 253 3.866 3.866 4.268 -0.402 17911 7071 1 13 . 1 1 67 67 LEU CA C 253 57.301 57.301 55.704 1.597 17911 7072 1 13 . 1 1 67 67 LEU CB C 253 40.539 40.539 42.910 -2.371 17911 7073 1 13 . 1 1 67 67 LEU H H 253 7.344 7.344 7.633 -0.289 17911 7074 1 13 . 1 1 68 68 SER N N 254 117.191 117.191 116.495 0.696 17911 7075 1 13 . 1 1 68 68 SER HA H 254 4.154 4.154 4.064 0.090 17911 7076 1 13 . 1 1 68 68 SER CA C 254 60.705 60.705 61.092 -0.387 17911 7077 1 13 . 1 1 68 68 SER CB C 254 63.286 63.286 63.206 0.080 17911 7078 1 13 . 1 1 68 68 SER H H 254 7.883 7.883 8.132 -0.249 17911 7079 1 13 . 1 1 69 69 ALA N N 255 123.895 123.895 122.976 0.919 17911 7080 1 13 . 1 1 69 69 ALA HA H 255 4.078 4.078 4.143 -0.065 17911 7081 1 13 . 1 1 69 69 ALA CA C 255 54.749 54.749 54.523 0.226 17911 7082 1 13 . 1 1 69 69 ALA CB C 255 17.992 17.992 18.158 -0.166 17911 7083 1 13 . 1 1 69 69 ALA H H 255 8.592 8.592 8.025 0.567 17911 7084 1 13 . 1 1 70 70 GLN N N 256 116.528 116.528 115.256 1.272 17911 7085 1 13 . 1 1 70 70 GLN HA H 256 4.011 4.011 4.230 -0.219 17911 7086 1 13 . 1 1 70 70 GLN CA C 256 58.634 58.634 57.323 1.311 17911 7087 1 13 . 1 1 70 70 GLN CB C 256 28.939 28.939 29.342 -0.403 17911 7088 1 13 . 1 1 70 70 GLN H H 256 7.744 7.744 7.626 0.118 17911 7089 1 13 . 1 1 71 71 THR N N 257 103.056 103.056 106.186 -3.130 17911 7090 1 13 . 1 1 71 71 THR HA H 257 4.277 4.277 4.555 -0.278 17911 7091 1 13 . 1 1 71 71 THR CA C 257 62.236 62.236 61.765 0.471 17911 7092 1 13 . 1 1 71 71 THR CB C 257 72.277 72.277 71.985 0.292 17911 7093 1 13 . 1 1 71 71 THR H H 257 7.401 7.401 7.565 -0.164 17911 7094 1 13 . 1 1 72 72 GLY N N 258 111.697 111.697 111.843 -0.146 17911 7095 1 13 . 1 1 72 72 GLY CA C 258 45.900 45.900 45.794 0.106 17911 7096 1 13 . 1 1 72 72 GLY H H 258 8.113 8.113 8.393 -0.280 17911 7097 1 13 . 1 1 73 73 ILE N N 259 120.078 120.078 123.885 -3.807 17911 7098 1 13 . 1 1 73 73 ILE HA H 259 4.451 4.451 4.126 0.325 17911 7099 1 13 . 1 1 73 73 ILE CA C 259 58.903 58.903 60.949 -2.046 17911 7100 1 13 . 1 1 73 73 ILE CB C 259 38.497 38.497 37.836 0.661 17911 7101 1 13 . 1 1 73 73 ILE H H 259 7.598 7.598 7.649 -0.051 17911 7102 1 13 . 1 1 74 74 ALA N N 260 107.454 107.454 132.088 -24.634 17911 7103 1 13 . 1 1 74 74 ALA HA H 260 4.178 4.178 4.350 -0.172 17911 7104 1 13 . 1 1 74 74 ALA CA C 260 52.622 52.622 52.284 0.338 17911 7105 1 13 . 1 1 74 74 ALA CB C 260 18.417 18.417 19.419 -1.002 17911 7106 1 13 . 1 1 74 74 ALA H H 260 9.477 9.477 8.635 0.842 17911 7107 1 13 . 1 1 75 75 VAL N N 261 124.569 124.569 121.637 2.932 17911 7108 1 13 . 1 1 75 75 VAL HA H 261 4.095 4.095 3.845 0.250 17911 7109 1 13 . 1 1 75 75 VAL CA C 261 66.637 66.637 65.389 1.248 17911 7110 1 13 . 1 1 75 75 VAL CB C 261 31.575 31.575 31.751 -0.176 17911 7111 1 13 . 1 1 75 75 VAL H H 261 8.927 8.927 8.706 0.221 17911 7112 1 13 . 1 1 76 76 LEU N N 262 117.285 117.285 118.760 -1.475 17911 7113 1 13 . 1 1 76 76 LEU HA H 262 3.827 3.827 3.984 -0.157 17911 7114 1 13 . 1 1 76 76 LEU CA C 262 58.067 58.067 57.130 0.937 17911 7115 1 13 . 1 1 76 76 LEU CB C 262 39.774 39.774 40.977 -1.203 17911 7116 1 13 . 1 1 76 76 LEU H H 262 8.949 8.949 8.017 0.932 17911 7117 1 13 . 1 1 77 77 ASP N N 263 120.854 120.854 120.911 -0.057 17911 7118 1 13 . 1 1 77 77 ASP HA H 263 4.639 4.639 4.696 -0.057 17911 7119 1 13 . 1 1 77 77 ASP CA C 263 57.131 57.131 57.542 -0.411 17911 7120 1 13 . 1 1 77 77 ASP CB C 263 39.178 39.178 40.686 -1.508 17911 7121 1 13 . 1 1 77 77 ASP H H 263 7.011 7.011 7.945 -0.934 17911 7122 1 13 . 1 1 78 78 MET N N 264 124.661 124.661 120.540 4.121 17911 7123 1 13 . 1 1 78 78 MET HA H 264 4.343 4.343 4.136 0.207 17911 7124 1 13 . 1 1 78 78 MET CA C 264 57.131 57.131 57.758 -0.627 17911 7125 1 13 . 1 1 78 78 MET CB C 264 31.172 31.172 31.927 -0.755 17911 7126 1 13 . 1 1 78 78 MET H H 264 8.025 8.025 7.674 0.351 17911 7127 1 13 . 1 1 79 79 CYS N N 265 117.740 117.740 118.511 -0.771 17911 7128 1 13 . 1 1 79 79 CYS HA H 265 3.534 3.534 3.760 -0.226 17911 7129 1 13 . 1 1 79 79 CYS CA C 265 64.317 64.317 63.777 0.540 17911 7130 1 13 . 1 1 79 79 CYS CB C 265 25.564 25.564 26.095 -0.531 17911 7131 1 13 . 1 1 79 79 CYS H H 265 8.703 8.703 8.551 0.152 17911 7132 1 13 . 1 1 80 80 ALA N N 266 123.346 123.346 121.600 1.746 17911 7133 1 13 . 1 1 80 80 ALA HA H 266 3.884 3.884 4.141 -0.257 17911 7134 1 13 . 1 1 80 80 ALA CA C 266 55.174 55.174 55.073 0.101 17911 7135 1 13 . 1 1 80 80 ALA CB C 266 17.911 17.911 18.043 -0.132 17911 7136 1 13 . 1 1 80 80 ALA H H 266 7.745 7.745 7.851 -0.106 17911 7137 1 13 . 1 1 81 81 ALA N N 267 122.668 122.668 122.567 0.101 17911 7138 1 13 . 1 1 81 81 ALA HA H 267 4.236 4.236 4.293 -0.057 17911 7139 1 13 . 1 1 81 81 ALA CA C 267 54.778 54.778 54.863 -0.085 17911 7140 1 13 . 1 1 81 81 ALA CB C 267 18.247 18.247 18.732 -0.485 17911 7141 1 13 . 1 1 81 81 ALA H H 267 7.513 7.513 8.041 -0.528 17911 7142 1 13 . 1 1 82 82 LEU N N 268 119.844 119.844 120.730 -0.886 17911 7143 1 13 . 1 1 82 82 LEU HA H 268 3.924 3.924 4.043 -0.119 17911 7144 1 13 . 1 1 82 82 LEU CA C 268 57.613 57.613 57.627 -0.014 17911 7145 1 13 . 1 1 82 82 LEU CB C 268 40.681 40.681 41.456 -0.775 17911 7146 1 13 . 1 1 82 82 LEU H H 268 8.304 8.304 8.445 -0.141 17911 7147 1 13 . 1 1 83 83 LYS N N 269 119.140 119.140 118.949 0.191 17911 7148 1 13 . 1 1 83 83 LYS HA H 269 3.629 3.629 3.958 -0.329 17911 7149 1 13 . 1 1 83 83 LYS CA C 269 60.279 60.279 59.968 0.311 17911 7150 1 13 . 1 1 83 83 LYS CB C 269 33.052 33.052 32.439 0.613 17911 7151 1 13 . 1 1 83 83 LYS H H 269 8.881 8.881 8.671 0.210 17911 7152 1 13 . 1 1 84 84 GLU N N 270 116.647 116.647 118.704 -2.057 17911 7153 1 13 . 1 1 84 84 GLU HA H 270 4.085 4.085 4.208 -0.123 17911 7154 1 13 . 1 1 84 84 GLU CA C 270 58.903 58.903 58.823 0.080 17911 7155 1 13 . 1 1 84 84 GLU CB C 270 29.223 29.223 30.204 -0.981 17911 7156 1 13 . 1 1 84 84 GLU H H 270 7.107 7.107 7.530 -0.423 17911 7157 1 13 . 1 1 85 85 LEU N N 271 120.657 120.657 121.178 -0.521 17911 7158 1 13 . 1 1 85 85 LEU HA H 271 3.992 3.992 4.100 -0.108 17911 7159 1 13 . 1 1 85 85 LEU CA C 271 57.872 57.872 57.838 0.034 17911 7160 1 13 . 1 1 85 85 LEU CB C 271 42.326 42.326 42.030 0.296 17911 7161 1 13 . 1 1 85 85 LEU H H 271 7.757 7.757 8.567 -0.810 17911 7162 1 13 . 1 1 86 86 LEU N N 272 119.651 119.651 117.547 2.104 17911 7163 1 13 . 1 1 86 86 LEU HA H 272 3.535 3.535 3.942 -0.407 17911 7164 1 13 . 1 1 86 86 LEU CA C 272 57.356 57.356 56.883 0.472 17911 7165 1 13 . 1 1 86 86 LEU CB C 272 40.880 40.880 41.806 -0.926 17911 7166 1 13 . 1 1 86 86 LEU H H 272 8.336 8.336 8.322 0.014 17911 7167 1 13 . 1 1 87 87 GLN N N 273 113.087 113.087 116.526 -3.439 17911 7168 1 13 . 1 1 87 87 GLN HA H 273 4.099 4.099 4.119 -0.020 17911 7169 1 13 . 1 1 87 87 GLN CA C 273 58.387 58.387 56.250 2.137 17911 7170 1 13 . 1 1 87 87 GLN CB C 273 30.159 30.159 30.444 -0.285 17911 7171 1 13 . 1 1 87 87 GLN H H 273 7.422 7.422 7.685 -0.263 17911 7172 1 13 . 1 1 88 88 ASN N N 274 113.925 113.925 117.228 -3.303 17911 7173 1 13 . 1 1 88 88 ASN HA H 274 4.921 4.921 4.772 0.149 17911 7174 1 13 . 1 1 88 88 ASN CA C 274 53.747 53.747 53.050 0.698 17911 7175 1 13 . 1 1 88 88 ASN CB C 274 40.625 40.625 40.319 0.306 17911 7176 1 13 . 1 1 88 88 ASN H H 274 8.388 8.388 8.298 0.090 17911 7177 1 13 . 1 1 89 89 GLY N N 275 109.040 109.040 109.283 -0.243 17911 7178 1 13 . 1 1 89 89 GLY CA C 275 44.709 44.709 44.600 0.109 17911 7179 1 13 . 1 1 89 89 GLY H H 275 7.698 7.698 7.727 -0.029 17911 7180 1 13 . 1 1 90 90 MET N N 276 115.183 115.183 120.180 -4.997 17911 7181 1 13 . 1 1 90 90 MET HA H 276 4.434 4.434 4.741 -0.307 17911 7182 1 13 . 1 1 90 90 MET CA C 276 56.791 56.791 55.492 1.300 17911 7183 1 13 . 1 1 90 90 MET CB C 276 33.637 33.637 33.034 0.603 17911 7184 1 13 . 1 1 90 90 MET H H 276 8.599 8.599 8.337 0.262 17911 7185 1 13 . 1 1 91 91 ASN N N 277 118.020 118.020 117.867 0.153 17911 7186 1 13 . 1 1 91 91 ASN HA H 277 4.301 4.301 4.391 -0.090 17911 7187 1 13 . 1 1 91 91 ASN CA C 277 53.983 53.983 54.005 -0.021 17911 7188 1 13 . 1 1 91 91 ASN CB C 277 37.987 37.987 37.421 0.566 17911 7189 1 13 . 1 1 91 91 ASN H H 277 9.033 9.033 8.528 0.505 17911 7190 1 13 . 1 1 92 92 GLY N N 278 104.906 104.906 102.748 2.158 17911 7191 1 13 . 1 1 92 92 GLY CA C 278 45.645 45.645 45.532 0.113 17911 7192 1 13 . 1 1 92 92 GLY H H 278 8.538 8.538 8.582 -0.044 17911 7193 1 13 . 1 1 93 93 ARG N N 279 120.056 120.056 120.764 -0.708 17911 7194 1 13 . 1 1 93 93 ARG HA H 279 4.237 4.237 4.142 0.095 17911 7195 1 13 . 1 1 93 93 ARG CA C 279 55.344 55.344 56.506 -1.162 17911 7196 1 13 . 1 1 93 93 ARG CB C 279 31.491 31.491 30.423 1.068 17911 7197 1 13 . 1 1 93 93 ARG H H 279 7.257 7.257 7.817 -0.560 17911 7198 1 13 . 1 1 94 94 THR N N 280 106.223 106.223 112.931 -6.708 17911 7199 1 13 . 1 1 94 94 THR HA H 280 5.028 5.028 4.787 0.241 17911 7200 1 13 . 1 1 94 94 THR CA C 280 59.684 59.684 61.968 -2.284 17911 7201 1 13 . 1 1 94 94 THR CB C 280 72.787 72.787 69.880 2.907 17911 7202 1 13 . 1 1 94 94 THR H H 280 7.726 7.726 8.057 -0.331 17911 7203 1 13 . 1 1 95 95 ILE N N 281 121.214 121.214 123.400 -2.186 17911 7204 1 13 . 1 1 95 95 ILE HA H 281 4.301 4.301 4.496 -0.195 17911 7205 1 13 . 1 1 95 95 ILE CA C 281 62.066 62.066 60.513 1.553 17911 7206 1 13 . 1 1 95 95 ILE CB C 281 40.539 40.539 41.387 -0.848 17911 7207 1 13 . 1 1 95 95 ILE H H 281 8.761 8.761 8.958 -0.197 17911 7208 1 13 . 1 1 96 96 LEU N N 282 128.347 128.347 125.540 2.807 17911 7209 1 13 . 1 1 96 96 LEU HA H 282 3.850 3.850 3.859 -0.009 17911 7210 1 13 . 1 1 96 96 LEU CA C 282 55.344 55.344 55.812 -0.468 17911 7211 1 13 . 1 1 96 96 LEU CB C 282 40.539 40.539 39.658 0.881 17911 7212 1 13 . 1 1 96 96 LEU H H 282 9.905 9.905 9.419 0.485 17911 7213 1 13 . 1 1 97 97 GLY N N 283 103.322 103.322 102.934 0.388 17911 7214 1 13 . 1 1 97 97 GLY CA C 283 45.645 45.645 44.727 0.918 17911 7215 1 13 . 1 1 97 97 GLY H H 283 8.937 8.937 8.439 0.498 17911 7216 1 13 . 1 1 98 98 SER N N 284 116.619 116.619 114.850 1.769 17911 7217 1 13 . 1 1 98 98 SER HA H 284 4.950 4.950 5.044 -0.094 17911 7218 1 13 . 1 1 98 98 SER CA C 284 56.961 56.961 56.026 0.935 17911 7219 1 13 . 1 1 98 98 SER CB C 284 65.044 65.044 64.120 0.924 17911 7220 1 13 . 1 1 98 98 SER H H 284 8.612 8.612 8.183 0.429 17911 7221 1 13 . 1 1 99 99 THR N N 285 114.513 114.513 115.565 -1.052 17911 7222 1 13 . 1 1 99 99 THR HA H 285 4.598 4.598 4.406 0.192 17911 7223 1 13 . 1 1 99 99 THR CA C 285 61.739 61.739 63.199 -1.460 17911 7224 1 13 . 1 1 99 99 THR CB C 285 69.214 69.214 68.862 0.352 17911 7225 1 13 . 1 1 99 99 THR H H 285 8.601 8.601 8.582 0.019 17911 7226 1 13 . 1 1 100 100 ILE N N 286 117.511 117.511 115.966 1.545 17911 7227 1 13 . 1 1 100 100 ILE HA H 286 4.496 4.496 4.589 -0.093 17911 7228 1 13 . 1 1 100 100 ILE CA C 286 59.173 59.173 59.506 -0.333 17911 7229 1 13 . 1 1 100 100 ILE CB C 286 41.887 41.887 41.080 0.808 17911 7230 1 13 . 1 1 100 100 ILE H H 286 7.931 7.931 7.328 0.603 17911 7231 1 13 . 1 1 101 101 LEU N N 287 121.101 121.101 118.198 2.903 17911 7232 1 13 . 1 1 101 101 LEU HA H 287 4.157 4.157 4.204 -0.047 17911 7233 1 13 . 1 1 101 101 LEU CA C 287 54.520 54.520 54.530 -0.010 17911 7234 1 13 . 1 1 101 101 LEU CB C 287 40.083 40.083 42.697 -2.614 17911 7235 1 13 . 1 1 101 101 LEU H H 287 8.025 8.025 8.168 -0.143 17911 7236 1 13 . 1 1 102 102 GLU HA H 288 3.720 3.720 4.275 -0.555 17911 7237 1 13 . 1 1 102 102 GLU CA C 288 55.770 55.770 54.479 1.291 17911 7238 1 13 . 1 1 102 102 GLU CB C 288 29.904 29.904 32.932 -3.029 17911 7239 1 13 . 1 1 103 103 ASP N N 289 121.287 121.287 118.345 2.942 17911 7240 1 13 . 1 1 103 103 ASP HA H 289 4.513 4.513 4.661 -0.148 17911 7241 1 13 . 1 1 103 103 ASP CA C 289 52.281 52.281 53.361 -1.080 17911 7242 1 13 . 1 1 103 103 ASP CB C 289 42.922 42.922 40.863 2.059 17911 7243 1 13 . 1 1 103 103 ASP H H 289 8.014 8.014 8.471 -0.457 17911 7244 1 13 . 1 1 104 104 GLU N N 290 118.245 118.245 119.155 -0.910 17911 7245 1 13 . 1 1 104 104 GLU HA H 290 3.904 3.904 4.151 -0.247 17911 7246 1 13 . 1 1 104 104 GLU CA C 290 57.614 57.614 56.863 0.751 17911 7247 1 13 . 1 1 104 104 GLU CB C 290 30.499 30.499 29.589 0.910 17911 7248 1 13 . 1 1 104 104 GLU H H 290 7.432 7.432 8.593 -1.161 17911 7249 1 13 . 1 1 105 105 PHE N N 291 120.606 120.606 118.349 2.257 17911 7250 1 13 . 1 1 105 105 PHE HA H 291 4.838 4.838 4.765 0.073 17911 7251 1 13 . 1 1 105 105 PHE CA C 291 56.536 56.536 56.307 0.229 17911 7252 1 13 . 1 1 105 105 PHE CB C 291 39.774 39.774 41.972 -2.198 17911 7253 1 13 . 1 1 105 105 PHE H H 291 8.835 8.835 7.599 1.236 17911 7254 1 13 . 1 1 106 106 THR N N 292 111.349 111.349 113.392 -2.043 17911 7255 1 13 . 1 1 106 106 THR HA H 292 4.670 4.670 4.610 0.060 17911 7256 1 13 . 1 1 106 106 THR CA C 292 59.344 59.344 59.722 -0.378 17911 7257 1 13 . 1 1 106 106 THR CB C 292 69.299 69.299 69.105 0.194 17911 7258 1 13 . 1 1 106 106 THR H H 292 8.757 8.757 8.581 0.176 17911 7259 1 13 . 1 1 107 107 PRO HA H 293 3.988 3.988 4.565 -0.577 17911 7260 1 13 . 1 1 107 107 PRO CA C 293 65.606 65.606 65.010 0.596 17911 7261 1 13 . 1 1 107 107 PRO CB C 293 31.321 31.321 32.124 -0.803 17911 7262 1 13 . 1 1 108 108 PHE N N 294 114.627 114.627 118.945 -4.318 17911 7263 1 13 . 1 1 108 108 PHE HA H 294 4.201 4.201 4.682 -0.481 17911 7264 1 13 . 1 1 108 108 PHE CA C 294 59.676 59.676 59.385 0.291 17911 7265 1 13 . 1 1 108 108 PHE CB C 294 38.582 38.582 39.975 -1.393 17911 7266 1 13 . 1 1 108 108 PHE H H 294 7.310 7.310 8.297 -0.987 17911 7267 1 13 . 1 1 109 109 ASP N N 295 120.210 120.210 116.013 4.197 17911 7268 1 13 . 1 1 109 109 ASP HA H 295 4.404 4.404 4.331 0.073 17911 7269 1 13 . 1 1 109 109 ASP CA C 295 57.098 57.098 54.224 2.874 17911 7270 1 13 . 1 1 109 109 ASP CB C 295 41.475 41.475 41.368 0.107 17911 7271 1 13 . 1 1 109 109 ASP H H 295 7.837 7.837 7.888 -0.051 17911 7272 1 13 . 1 1 110 110 VAL N N 296 119.070 119.070 122.172 -3.102 17911 7273 1 13 . 1 1 110 110 VAL HA H 296 3.602 3.602 3.756 -0.154 17911 7274 1 13 . 1 1 110 110 VAL CA C 296 66.491 66.491 65.567 0.924 17911 7275 1 13 . 1 1 110 110 VAL CB C 296 31.605 31.605 31.357 0.248 17911 7276 1 13 . 1 1 110 110 VAL H H 296 7.945 7.945 7.865 0.080 17911 7277 1 13 . 1 1 111 111 VAL N N 297 119.540 119.540 118.045 1.495 17911 7278 1 13 . 1 1 111 111 VAL HA H 297 3.601 3.601 3.723 -0.122 17911 7279 1 13 . 1 1 111 111 VAL CA C 297 66.379 66.379 63.334 3.045 17911 7280 1 13 . 1 1 111 111 VAL CB C 297 31.605 31.605 31.730 -0.125 17911 7281 1 13 . 1 1 111 111 VAL H H 297 8.109 8.109 7.597 0.512 17911 7282 1 13 . 1 1 112 112 ARG N N 298 119.680 119.680 116.639 3.041 17911 7283 1 13 . 1 1 112 112 ARG HA H 298 4.010 4.010 3.287 0.723 17911 7284 1 13 . 1 1 112 112 ARG CA C 298 58.634 58.634 57.011 1.623 17911 7285 1 13 . 1 1 112 112 ARG CB C 298 30.028 30.028 27.588 2.440 17911 7286 1 13 . 1 1 112 112 ARG H H 298 7.710 7.710 8.084 -0.374 17911 7287 1 13 . 1 1 113 113 GLN N N 299 117.786 117.786 117.678 0.108 17911 7288 1 13 . 1 1 113 113 GLN HA H 299 4.158 4.158 4.490 -0.332 17911 7289 1 13 . 1 1 113 113 GLN CA C 299 57.557 57.557 57.005 0.552 17911 7290 1 13 . 1 1 113 113 GLN CB C 299 29.308 29.308 30.210 -0.902 17911 7291 1 13 . 1 1 113 113 GLN H H 299 8.033 8.033 8.126 -0.093 17911 7292 1 13 . 1 1 114 114 CYS N N 300 115.786 115.786 119.862 -4.076 17911 7293 1 13 . 1 1 114 114 CYS HA H 300 4.470 4.470 4.710 -0.240 17911 7294 1 13 . 1 1 114 114 CYS CA C 300 59.934 59.934 58.408 1.526 17911 7295 1 13 . 1 1 114 114 CYS CB C 300 28.293 28.293 29.028 -0.735 17911 7296 1 13 . 1 1 114 114 CYS H H 300 8.071 8.071 8.032 0.039 17911 7297 1 13 . 1 1 115 115 SER N N 301 116.258 116.258 115.448 0.810 17911 7298 1 13 . 1 1 115 115 SER HA H 301 4.407 4.407 4.184 0.223 17911 7299 1 13 . 1 1 115 115 SER CA C 301 59.485 59.485 59.109 0.376 17911 7300 1 13 . 1 1 115 115 SER CB C 301 63.286 63.286 62.953 0.333 17911 7301 1 13 . 1 1 115 115 SER H H 301 7.883 7.883 7.996 -0.113 17911 7302 1 13 . 1 1 116 116 GLY N N 302 110.709 110.709 107.149 3.560 17911 7303 1 13 . 1 1 116 116 GLY CA C 302 45.239 45.239 44.936 0.303 17911 7304 1 13 . 1 1 116 116 GLY H H 302 8.355 8.355 7.630 0.725 17911 7305 1 13 . 1 1 117 117 VAL N N 303 119.189 119.189 117.786 1.403 17911 7306 1 13 . 1 1 117 117 VAL HA H 303 4.057 4.057 3.445 0.612 17911 7307 1 13 . 1 1 117 117 VAL CA C 303 62.236 62.236 65.131 -2.895 17911 7308 1 13 . 1 1 117 117 VAL CB C 303 32.626 32.626 30.984 1.642 17911 7309 1 13 . 1 1 117 117 VAL H H 303 7.710 7.710 8.571 -0.861 17911 7310 1 13 . 1 1 118 118 THR N N 304 118.009 118.009 114.988 3.021 17911 7311 1 13 . 1 1 118 118 THR HA H 304 4.279 4.279 4.185 0.094 17911 7312 1 13 . 1 1 118 118 THR CA C 304 61.556 61.556 64.849 -3.293 17911 7313 1 13 . 1 1 118 118 THR CB C 304 69.894 69.894 68.861 1.033 17911 7314 1 13 . 1 1 118 118 THR H H 304 8.109 8.109 7.979 0.130 17911 7315 1 13 . 1 1 119 119 PHE N N 305 123.287 123.287 118.867 4.420 17911 7316 1 13 . 1 1 119 119 PHE HA H 305 4.605 4.605 4.667 -0.062 17911 7317 1 13 . 1 1 119 119 PHE CA C 305 57.727 57.727 58.450 -0.723 17911 7318 1 13 . 1 1 119 119 PHE CB C 305 39.859 39.859 38.154 1.705 17911 7319 1 13 . 1 1 119 119 PHE H H 305 8.298 8.298 7.596 0.702 17911 7320 1 14 . 1 1 2 2 ARG N N 188 121.886 121.886 118.509 3.377 17911 7321 1 14 . 1 1 2 2 ARG HA H 188 4.242 4.242 3.758 0.484 17911 7322 1 14 . 1 1 2 2 ARG CA C 188 56.487 56.487 59.317 -2.830 17911 7323 1 14 . 1 1 2 2 ARG CB C 188 30.857 30.857 29.124 1.733 17911 7324 1 14 . 1 1 2 2 ARG H H 188 8.475 8.475 8.658 -0.183 17911 7325 1 14 . 1 1 3 3 GLN N N 189 121.336 121.336 118.144 3.192 17911 7326 1 14 . 1 1 3 3 GLN HA H 189 4.302 4.302 4.136 0.166 17911 7327 1 14 . 1 1 3 3 GLN CA C 189 56.366 56.366 58.071 -1.705 17911 7328 1 14 . 1 1 3 3 GLN CB C 189 29.254 29.254 28.802 0.452 17911 7329 1 14 . 1 1 3 3 GLN H H 189 8.553 8.553 8.379 0.174 17911 7330 1 14 . 1 1 4 4 THR N N 190 115.273 115.273 110.951 4.322 17911 7331 1 14 . 1 1 4 4 THR HA H 190 4.275 4.275 4.237 0.038 17911 7332 1 14 . 1 1 4 4 THR CA C 190 62.066 62.066 63.646 -1.580 17911 7333 1 14 . 1 1 4 4 THR CB C 190 69.894 69.894 68.926 0.968 17911 7334 1 14 . 1 1 4 4 THR H H 190 8.123 8.123 7.613 0.510 17911 7335 1 14 . 1 1 5 5 ALA N N 191 126.029 126.029 123.393 2.636 17911 7336 1 14 . 1 1 5 5 ALA HA H 191 4.247 4.247 4.605 -0.358 17911 7337 1 14 . 1 1 5 5 ALA CA C 191 52.537 52.537 51.598 0.939 17911 7338 1 14 . 1 1 5 5 ALA CB C 191 19.183 19.183 19.779 -0.596 17911 7339 1 14 . 1 1 5 5 ALA H H 191 8.284 8.284 7.446 0.838 17911 7340 1 14 . 1 1 6 6 GLN N N 192 119.614 119.614 119.925 -0.311 17911 7341 1 14 . 1 1 6 6 GLN HA H 192 4.217 4.217 4.185 0.032 17911 7342 1 14 . 1 1 6 6 GLN CA C 192 55.685 55.685 56.355 -0.670 17911 7343 1 14 . 1 1 6 6 GLN CB C 192 29.513 29.513 29.250 0.263 17911 7344 1 14 . 1 1 6 6 GLN H H 192 8.287 8.287 8.230 0.057 17911 7345 1 14 . 1 1 7 7 ALA N N 193 125.571 125.571 123.950 1.621 17911 7346 1 14 . 1 1 7 7 ALA HA H 193 4.246 4.246 4.524 -0.278 17911 7347 1 14 . 1 1 7 7 ALA CA C 193 52.537 52.537 51.396 1.141 17911 7348 1 14 . 1 1 7 7 ALA CB C 193 19.268 19.268 19.565 -0.297 17911 7349 1 14 . 1 1 7 7 ALA H H 193 8.271 8.271 8.127 0.144 17911 7350 1 14 . 1 1 8 8 ALA N N 194 123.461 123.461 120.975 2.486 17911 7351 1 14 . 1 1 8 8 ALA HA H 194 4.250 4.250 4.206 0.044 17911 7352 1 14 . 1 1 8 8 ALA CA C 194 52.593 52.593 53.134 -0.541 17911 7353 1 14 . 1 1 8 8 ALA CB C 194 19.324 19.324 18.934 0.390 17911 7354 1 14 . 1 1 8 8 ALA H H 194 8.275 8.275 8.506 -0.231 17911 7355 1 14 . 1 1 9 9 GLY N N 195 108.312 108.312 107.186 1.126 17911 7356 1 14 . 1 1 9 9 GLY CA C 195 45.219 45.219 46.542 -1.323 17911 7357 1 14 . 1 1 9 9 GLY H H 195 8.328 8.328 8.563 -0.235 17911 7358 1 14 . 1 1 10 10 THR N N 196 112.710 112.710 113.744 -1.034 17911 7359 1 14 . 1 1 10 10 THR HA H 196 4.334 4.334 4.462 -0.128 17911 7360 1 14 . 1 1 10 10 THR CA C 196 61.471 61.471 62.414 -0.943 17911 7361 1 14 . 1 1 10 10 THR CB C 196 69.894 69.894 70.929 -1.035 17911 7362 1 14 . 1 1 10 10 THR H H 196 7.998 7.998 7.919 0.079 17911 7363 1 14 . 1 1 11 11 ASP N N 197 122.862 122.862 120.155 2.707 17911 7364 1 14 . 1 1 11 11 ASP HA H 197 4.609 4.609 4.760 -0.151 17911 7365 1 14 . 1 1 11 11 ASP CA C 197 54.262 54.262 54.201 0.061 17911 7366 1 14 . 1 1 11 11 ASP CB C 197 41.135 41.135 43.269 -2.134 17911 7367 1 14 . 1 1 11 11 ASP H H 197 8.404 8.404 7.961 0.443 17911 7368 1 14 . 1 1 12 12 THR N N 198 114.709 114.709 113.377 1.332 17911 7369 1 14 . 1 1 12 12 THR HA H 198 4.400 4.400 4.785 -0.385 17911 7370 1 14 . 1 1 12 12 THR CA C 198 61.223 61.223 60.755 0.468 17911 7371 1 14 . 1 1 12 12 THR CB C 198 70.490 70.490 72.336 -1.846 17911 7372 1 14 . 1 1 12 12 THR H H 198 7.895 7.895 8.089 -0.194 17911 7373 1 14 . 1 1 13 13 THR N N 199 122.785 122.785 119.490 3.295 17911 7374 1 14 . 1 1 13 13 THR HA H 199 3.961 3.961 4.459 -0.498 17911 7375 1 14 . 1 1 13 13 THR CA C 199 63.286 63.286 62.695 0.591 17911 7376 1 14 . 1 1 13 13 THR CB C 199 68.958 68.958 69.410 -0.452 17911 7377 1 14 . 1 1 13 13 THR H H 199 8.354 8.354 8.641 -0.287 17911 7378 1 14 . 1 1 14 14 ILE N N 200 127.902 127.902 129.548 -1.646 17911 7379 1 14 . 1 1 14 14 ILE HA H 200 3.807 3.807 4.308 -0.501 17911 7380 1 14 . 1 1 14 14 ILE CA C 200 60.965 60.965 61.023 -0.057 17911 7381 1 14 . 1 1 14 14 ILE CB C 200 35.860 35.860 35.527 0.333 17911 7382 1 14 . 1 1 14 14 ILE H H 200 9.362 9.362 9.203 0.159 17911 7383 1 14 . 1 1 15 15 THR N N 201 130.379 130.379 124.362 6.017 17911 7384 1 14 . 1 1 15 15 THR HA H 201 3.521 3.521 4.081 -0.560 17911 7385 1 14 . 1 1 15 15 THR CA C 201 66.637 66.637 66.994 -0.357 17911 7386 1 14 . 1 1 15 15 THR CB C 201 67.411 67.411 68.687 -1.276 17911 7387 1 14 . 1 1 15 15 THR H H 201 7.834 7.834 8.192 -0.358 17911 7388 1 14 . 1 1 16 16 LEU N N 202 120.049 120.049 121.002 -0.953 17911 7389 1 14 . 1 1 16 16 LEU HA H 202 3.715 3.715 4.066 -0.351 17911 7390 1 14 . 1 1 16 16 LEU CA C 202 58.387 58.387 58.553 -0.166 17911 7391 1 14 . 1 1 16 16 LEU CB C 202 43.148 43.148 41.197 1.951 17911 7392 1 14 . 1 1 16 16 LEU H H 202 8.913 8.913 8.519 0.394 17911 7393 1 14 . 1 1 17 17 ASN N N 203 117.390 117.390 117.443 -0.053 17911 7394 1 14 . 1 1 17 17 ASN HA H 203 4.594 4.594 4.739 -0.145 17911 7395 1 14 . 1 1 17 17 ASN CA C 203 54.520 54.520 55.932 -1.412 17911 7396 1 14 . 1 1 17 17 ASN CB C 203 37.246 37.246 38.208 -0.962 17911 7397 1 14 . 1 1 17 17 ASN H H 203 6.926 6.926 7.968 -1.042 17911 7398 1 14 . 1 1 18 18 VAL N N 204 123.434 123.434 122.589 0.845 17911 7399 1 14 . 1 1 18 18 VAL HA H 204 4.242 4.242 4.029 0.213 17911 7400 1 14 . 1 1 18 18 VAL CA C 204 66.236 66.236 66.732 -0.496 17911 7401 1 14 . 1 1 18 18 VAL CB C 204 31.605 31.605 31.900 -0.295 17911 7402 1 14 . 1 1 18 18 VAL H H 204 7.660 7.660 7.840 -0.180 17911 7403 1 14 . 1 1 19 19 LEU N N 205 117.301 117.301 119.820 -2.519 17911 7404 1 14 . 1 1 19 19 LEU HA H 205 3.945 3.945 3.917 0.028 17911 7405 1 14 . 1 1 19 19 LEU CA C 205 58.408 58.408 58.183 0.225 17911 7406 1 14 . 1 1 19 19 LEU CB C 205 42.918 42.918 41.258 1.659 17911 7407 1 14 . 1 1 19 19 LEU H H 205 8.573 8.573 8.563 0.010 17911 7408 1 14 . 1 1 20 20 ALA N N 206 120.290 120.290 122.135 -1.845 17911 7409 1 14 . 1 1 20 20 ALA HA H 206 4.012 4.012 4.218 -0.206 17911 7410 1 14 . 1 1 20 20 ALA CA C 206 56.195 56.195 55.225 0.970 17911 7411 1 14 . 1 1 20 20 ALA CB C 206 17.911 17.911 18.118 -0.207 17911 7412 1 14 . 1 1 20 20 ALA H H 206 8.188 8.188 8.257 -0.069 17911 7413 1 14 . 1 1 21 21 TRP N N 207 121.219 121.219 120.843 0.376 17911 7414 1 14 . 1 1 21 21 TRP HA H 207 4.110 4.110 4.272 -0.162 17911 7415 1 14 . 1 1 21 21 TRP CA C 207 61.224 61.224 61.921 -0.697 17911 7416 1 14 . 1 1 21 21 TRP CB C 207 28.712 28.712 29.562 -0.850 17911 7417 1 14 . 1 1 21 21 TRP H H 207 8.406 8.406 8.390 0.016 17911 7418 1 14 . 1 1 22 22 LEU HA H 208 3.517 3.517 3.567 -0.050 17911 7419 1 14 . 1 1 22 22 LEU CA C 208 57.897 57.897 58.080 -0.183 17911 7420 1 14 . 1 1 22 22 LEU CB C 208 40.880 40.880 41.295 -0.415 17911 7421 1 14 . 1 1 22 22 LEU H H 208 8.620 8.620 8.732 -0.112 17911 7422 1 14 . 1 1 23 23 TYR N N 209 117.656 117.656 119.264 -1.608 17911 7423 1 14 . 1 1 23 23 TYR HA H 209 3.956 3.956 4.097 -0.141 17911 7424 1 14 . 1 1 23 23 TYR CA C 209 64.704 64.704 61.883 2.821 17911 7425 1 14 . 1 1 23 23 TYR CB C 209 38.793 38.793 37.542 1.251 17911 7426 1 14 . 1 1 23 23 TYR H H 209 8.368 8.368 8.506 -0.138 17911 7427 1 14 . 1 1 24 24 ALA N N 210 122.658 122.658 121.398 1.260 17911 7428 1 14 . 1 1 24 24 ALA HA H 210 3.837 3.837 3.811 0.026 17911 7429 1 14 . 1 1 24 24 ALA CA C 210 55.036 55.036 54.950 0.086 17911 7430 1 14 . 1 1 24 24 ALA CB C 210 17.311 17.311 17.608 -0.297 17911 7431 1 14 . 1 1 24 24 ALA H H 210 8.461 8.461 8.316 0.145 17911 7432 1 14 . 1 1 25 25 ALA N N 211 123.868 123.868 121.376 2.492 17911 7433 1 14 . 1 1 25 25 ALA HA H 211 3.761 3.761 3.827 -0.066 17911 7434 1 14 . 1 1 25 25 ALA CA C 211 55.551 55.551 54.648 0.903 17911 7435 1 14 . 1 1 25 25 ALA CB C 211 17.992 17.992 18.223 -0.231 17911 7436 1 14 . 1 1 25 25 ALA H H 211 8.564 8.564 7.844 0.720 17911 7437 1 14 . 1 1 26 26 VAL N N 212 119.783 119.783 119.630 0.153 17911 7438 1 14 . 1 1 26 26 VAL HA H 212 3.487 3.487 3.466 0.021 17911 7439 1 14 . 1 1 26 26 VAL CA C 212 66.576 66.576 66.720 -0.144 17911 7440 1 14 . 1 1 26 26 VAL CB C 212 31.575 31.575 31.584 -0.009 17911 7441 1 14 . 1 1 26 26 VAL H H 212 8.008 8.008 8.128 -0.120 17911 7442 1 14 . 1 1 27 27 ILE N N 213 124.428 124.428 118.043 6.385 17911 7443 1 14 . 1 1 27 27 ILE HA H 213 3.559 3.559 3.668 -0.109 17911 7444 1 14 . 1 1 27 27 ILE CA C 213 65.526 65.526 64.407 1.119 17911 7445 1 14 . 1 1 27 27 ILE CB C 213 37.902 37.902 37.743 0.159 17911 7446 1 14 . 1 1 27 27 ILE H H 213 8.576 8.576 8.308 0.268 17911 7447 1 14 . 1 1 28 28 ASN N N 214 116.563 116.563 115.562 1.001 17911 7448 1 14 . 1 1 28 28 ASN HA H 214 4.565 4.565 4.602 -0.037 17911 7449 1 14 . 1 1 28 28 ASN CA C 214 54.579 54.579 54.992 -0.413 17911 7450 1 14 . 1 1 28 28 ASN CB C 214 40.340 40.340 39.916 0.424 17911 7451 1 14 . 1 1 28 28 ASN H H 214 7.714 7.714 8.143 -0.429 17911 7452 1 14 . 1 1 29 29 GLY N N 215 107.004 107.004 106.658 0.346 17911 7453 1 14 . 1 1 29 29 GLY CA C 215 45.683 45.683 44.852 0.831 17911 7454 1 14 . 1 1 29 29 GLY H H 215 7.861 7.861 8.252 -0.391 17911 7455 1 14 . 1 1 30 30 ASP N N 216 125.780 125.780 123.210 2.570 17911 7456 1 14 . 1 1 30 30 ASP HA H 216 5.019 5.019 4.295 0.724 17911 7457 1 14 . 1 1 30 30 ASP CA C 216 53.643 53.643 57.408 -3.765 17911 7458 1 14 . 1 1 30 30 ASP CB C 216 41.561 41.561 40.708 0.853 17911 7459 1 14 . 1 1 30 30 ASP H H 216 8.560 8.560 7.980 0.580 17911 7460 1 14 . 1 1 31 31 ARG N N 217 115.297 115.297 115.643 -0.346 17911 7461 1 14 . 1 1 31 31 ARG HA H 217 3.711 3.711 2.433 1.278 17911 7462 1 14 . 1 1 31 31 ARG CA C 217 54.520 54.520 57.517 -2.997 17911 7463 1 14 . 1 1 31 31 ARG CB C 217 32.116 32.116 27.361 4.755 17911 7464 1 14 . 1 1 31 31 ARG H H 217 7.984 7.984 8.163 -0.179 17911 7465 1 14 . 1 1 32 32 TRP N N 218 119.754 119.754 118.612 1.142 17911 7466 1 14 . 1 1 32 32 TRP HA H 218 4.120 4.120 4.292 -0.172 17911 7467 1 14 . 1 1 32 32 TRP CA C 218 58.387 58.387 57.748 0.639 17911 7468 1 14 . 1 1 32 32 TRP CB C 218 28.372 28.372 28.594 -0.222 17911 7469 1 14 . 1 1 32 32 TRP H H 218 7.368 7.368 7.241 0.127 17911 7470 1 14 . 1 1 33 33 PHE HA H 219 3.919 3.919 4.568 -0.649 17911 7471 1 14 . 1 1 33 33 PHE CA C 219 55.315 55.315 56.421 -1.106 17911 7472 1 14 . 1 1 33 33 PHE CB C 219 37.277 37.277 37.146 0.131 17911 7473 1 14 . 1 1 34 34 LEU N N 220 122.632 122.632 120.206 2.426 17911 7474 1 14 . 1 1 34 34 LEU HA H 220 3.931 3.931 3.892 0.039 17911 7475 1 14 . 1 1 34 34 LEU CA C 220 55.315 55.315 55.823 -0.508 17911 7476 1 14 . 1 1 34 34 LEU CB C 220 40.790 40.790 41.601 -0.811 17911 7477 1 14 . 1 1 34 34 LEU H H 220 6.447 6.447 7.236 -0.789 17911 7478 1 14 . 1 1 35 35 ASN N N 221 119.503 119.503 121.976 -2.473 17911 7479 1 14 . 1 1 35 35 ASN HA H 221 4.709 4.709 4.759 -0.050 17911 7480 1 14 . 1 1 35 35 ASN CA C 221 52.026 52.026 53.029 -1.003 17911 7481 1 14 . 1 1 35 35 ASN CB C 221 40.598 40.598 40.280 0.318 17911 7482 1 14 . 1 1 35 35 ASN H H 221 8.105 8.105 8.464 -0.359 17911 7483 1 14 . 1 1 36 36 ARG N N 222 116.408 116.408 114.329 2.079 17911 7484 1 14 . 1 1 36 36 ARG HA H 222 4.293 4.293 3.730 0.563 17911 7485 1 14 . 1 1 36 36 ARG CA C 222 55.600 55.600 57.622 -2.022 17911 7486 1 14 . 1 1 36 36 ARG CB C 222 28.997 28.997 27.434 1.563 17911 7487 1 14 . 1 1 36 36 ARG H H 222 8.099 8.099 8.047 0.052 17911 7488 1 14 . 1 1 37 37 PHE N N 223 120.398 120.398 114.962 5.436 17911 7489 1 14 . 1 1 37 37 PHE HA H 223 4.813 4.813 4.706 0.107 17911 7490 1 14 . 1 1 37 37 PHE CA C 223 56.081 56.081 55.712 0.369 17911 7491 1 14 . 1 1 37 37 PHE CB C 223 40.085 40.085 42.807 -2.722 17911 7492 1 14 . 1 1 37 37 PHE H H 223 7.842 7.842 7.224 0.618 17911 7493 1 14 . 1 1 38 38 THR N N 224 112.040 112.040 110.889 1.151 17911 7494 1 14 . 1 1 38 38 THR HA H 224 4.653 4.653 4.957 -0.304 17911 7495 1 14 . 1 1 38 38 THR CA C 224 60.708 60.708 60.391 0.317 17911 7496 1 14 . 1 1 38 38 THR CB C 224 71.000 71.000 71.037 -0.037 17911 7497 1 14 . 1 1 38 38 THR H H 224 8.231 8.231 8.397 -0.166 17911 7498 1 14 . 1 1 39 39 THR N N 225 116.627 116.627 114.679 1.948 17911 7499 1 14 . 1 1 39 39 THR HA H 225 4.925 4.925 4.670 0.255 17911 7500 1 14 . 1 1 39 39 THR CA C 225 59.677 59.677 60.091 -0.414 17911 7501 1 14 . 1 1 39 39 THR CB C 225 69.989 69.989 71.057 -1.068 17911 7502 1 14 . 1 1 39 39 THR H H 225 8.107 8.107 8.044 0.063 17911 7503 1 14 . 1 1 40 40 THR N N 226 111.263 111.263 116.204 -4.941 17911 7504 1 14 . 1 1 40 40 THR HA H 226 4.727 4.727 4.459 0.268 17911 7505 1 14 . 1 1 40 40 THR CA C 226 59.740 59.740 61.730 -1.990 17911 7506 1 14 . 1 1 40 40 THR CB C 226 72.052 72.052 70.242 1.810 17911 7507 1 14 . 1 1 40 40 THR H H 226 8.481 8.481 8.256 0.225 17911 7508 1 14 . 1 1 41 41 LEU N N 227 123.989 123.989 124.661 -0.672 17911 7509 1 14 . 1 1 41 41 LEU HA H 227 3.986 3.986 4.192 -0.206 17911 7510 1 14 . 1 1 41 41 LEU CA C 227 58.903 58.903 58.389 0.514 17911 7511 1 14 . 1 1 41 41 LEU CB C 227 41.561 41.561 42.192 -0.631 17911 7512 1 14 . 1 1 41 41 LEU H H 227 9.259 9.259 8.755 0.504 17911 7513 1 14 . 1 1 42 42 ASN N N 228 115.183 115.183 117.070 -1.887 17911 7514 1 14 . 1 1 42 42 ASN HA H 228 4.435 4.435 4.429 0.006 17911 7515 1 14 . 1 1 42 42 ASN CA C 228 56.961 56.961 57.324 -0.363 17911 7516 1 14 . 1 1 42 42 ASN CB C 228 38.497 38.497 38.152 0.345 17911 7517 1 14 . 1 1 42 42 ASN H H 228 8.598 8.598 8.505 0.093 17911 7518 1 14 . 1 1 43 43 ASP N N 229 118.746 118.746 120.013 -1.267 17911 7519 1 14 . 1 1 43 43 ASP HA H 229 4.367 4.367 4.454 -0.087 17911 7520 1 14 . 1 1 43 43 ASP CA C 229 57.387 57.387 57.120 0.267 17911 7521 1 14 . 1 1 43 43 ASP CB C 229 40.625 40.625 40.980 -0.355 17911 7522 1 14 . 1 1 43 43 ASP H H 229 7.847 7.847 7.864 -0.017 17911 7523 1 14 . 1 1 44 44 PHE N N 230 120.193 120.193 121.107 -0.914 17911 7524 1 14 . 1 1 44 44 PHE HA H 230 3.808 3.808 4.130 -0.322 17911 7525 1 14 . 1 1 44 44 PHE CA C 230 62.747 62.747 61.598 1.149 17911 7526 1 14 . 1 1 44 44 PHE CB C 230 38.753 38.753 39.309 -0.556 17911 7527 1 14 . 1 1 44 44 PHE H H 230 8.547 8.547 8.375 0.172 17911 7528 1 14 . 1 1 45 45 ASN N N 231 118.852 118.852 118.255 0.597 17911 7529 1 14 . 1 1 45 45 ASN HA H 231 4.472 4.472 4.246 0.226 17911 7530 1 14 . 1 1 45 45 ASN CA C 231 55.344 55.344 56.181 -0.837 17911 7531 1 14 . 1 1 45 45 ASN CB C 231 37.391 37.391 38.255 -0.864 17911 7532 1 14 . 1 1 45 45 ASN H H 231 8.727 8.727 8.554 0.173 17911 7533 1 14 . 1 1 46 46 LEU N N 232 120.221 120.221 118.233 1.988 17911 7534 1 14 . 1 1 46 46 LEU HA H 232 4.065 4.065 4.256 -0.191 17911 7535 1 14 . 1 1 46 46 LEU CA C 232 58.152 58.152 58.221 -0.069 17911 7536 1 14 . 1 1 46 46 LEU CB C 232 42.071 42.071 41.218 0.854 17911 7537 1 14 . 1 1 46 46 LEU H H 232 7.516 7.516 8.133 -0.617 17911 7538 1 14 . 1 1 47 47 VAL N N 233 119.649 119.649 120.129 -0.480 17911 7539 1 14 . 1 1 47 47 VAL HA H 233 3.604 3.604 3.543 0.061 17911 7540 1 14 . 1 1 47 47 VAL CA C 233 65.864 65.864 66.399 -0.535 17911 7541 1 14 . 1 1 47 47 VAL CB C 233 31.575 31.575 31.351 0.224 17911 7542 1 14 . 1 1 47 47 VAL H H 233 6.987 6.987 7.420 -0.433 17911 7543 1 14 . 1 1 48 48 ALA N N 234 122.056 122.056 122.447 -0.391 17911 7544 1 14 . 1 1 48 48 ALA HA H 234 3.451 3.451 3.874 -0.423 17911 7545 1 14 . 1 1 48 48 ALA CA C 234 55.741 55.741 55.134 0.607 17911 7546 1 14 . 1 1 48 48 ALA CB C 234 16.971 16.971 18.037 -1.066 17911 7547 1 14 . 1 1 48 48 ALA H H 234 8.480 8.480 7.958 0.522 17911 7548 1 14 . 1 1 49 49 MET N N 235 114.180 114.180 118.110 -3.930 17911 7549 1 14 . 1 1 49 49 MET HA H 235 4.272 4.272 4.047 0.225 17911 7550 1 14 . 1 1 49 49 MET CA C 235 59.003 59.003 59.165 -0.162 17911 7551 1 14 . 1 1 49 49 MET CB C 235 32.967 32.967 32.505 0.462 17911 7552 1 14 . 1 1 49 49 MET H H 235 7.950 7.950 8.352 -0.402 17911 7553 1 14 . 1 1 50 50 LYS N N 236 120.217 120.217 119.848 0.369 17911 7554 1 14 . 1 1 50 50 LYS HA H 236 3.945 3.945 3.864 0.081 17911 7555 1 14 . 1 1 50 50 LYS CA C 236 58.378 58.378 58.617 -0.239 17911 7556 1 14 . 1 1 50 50 LYS CB C 236 31.833 31.833 32.357 -0.524 17911 7557 1 14 . 1 1 50 50 LYS H H 236 7.378 7.378 7.741 -0.363 17911 7558 1 14 . 1 1 51 51 TYR N N 237 115.853 115.853 114.975 0.878 17911 7559 1 14 . 1 1 51 51 TYR HA H 237 4.462 4.462 4.709 -0.247 17911 7560 1 14 . 1 1 51 51 TYR CA C 237 58.293 58.293 57.218 1.075 17911 7561 1 14 . 1 1 51 51 TYR CB C 237 38.668 38.668 38.346 0.322 17911 7562 1 14 . 1 1 51 51 TYR H H 237 7.392 7.392 7.441 -0.049 17911 7563 1 14 . 1 1 52 52 ASN N N 238 115.965 115.965 113.721 2.244 17911 7564 1 14 . 1 1 52 52 ASN HA H 238 4.403 4.403 4.331 0.072 17911 7565 1 14 . 1 1 52 52 ASN CA C 238 54.834 54.834 54.760 0.074 17911 7566 1 14 . 1 1 52 52 ASN CB C 238 36.881 36.881 36.838 0.043 17911 7567 1 14 . 1 1 52 52 ASN H H 238 7.914 7.914 7.816 0.098 17911 7568 1 14 . 1 1 53 53 TYR N N 239 120.379 120.379 118.233 2.146 17911 7569 1 14 . 1 1 53 53 TYR HA H 239 4.675 4.675 4.767 -0.092 17911 7570 1 14 . 1 1 53 53 TYR CA C 239 57.387 57.387 58.253 -0.866 17911 7571 1 14 . 1 1 53 53 TYR CB C 239 37.788 37.788 39.072 -1.284 17911 7572 1 14 . 1 1 53 53 TYR H H 239 8.341 8.341 8.283 0.058 17911 7573 1 14 . 1 1 54 54 GLU N N 240 122.559 122.559 123.409 -0.850 17911 7574 1 14 . 1 1 54 54 GLU HA H 240 4.317 4.317 4.255 0.062 17911 7575 1 14 . 1 1 54 54 GLU CA C 240 54.579 54.579 55.843 -1.264 17911 7576 1 14 . 1 1 54 54 GLU CB C 240 30.802 30.802 29.666 1.136 17911 7577 1 14 . 1 1 54 54 GLU H H 240 8.114 8.114 8.667 -0.553 17911 7578 1 14 . 1 1 55 55 PRO HA H 241 4.314 4.314 4.425 -0.111 17911 7579 1 14 . 1 1 55 55 PRO CA C 241 62.973 62.973 62.850 0.123 17911 7580 1 14 . 1 1 55 55 PRO CB C 241 31.917 31.917 32.510 -0.593 17911 7581 1 14 . 1 1 56 56 LEU N N 242 124.468 124.468 120.963 3.505 17911 7582 1 14 . 1 1 56 56 LEU HA H 242 5.200 5.200 4.720 0.480 17911 7583 1 14 . 1 1 56 56 LEU CA C 242 53.747 53.747 53.878 -0.131 17911 7584 1 14 . 1 1 56 56 LEU CB C 242 45.560 45.560 46.376 -0.816 17911 7585 1 14 . 1 1 56 56 LEU H H 242 9.650 9.650 9.236 0.414 17911 7586 1 14 . 1 1 57 57 THR N N 243 116.700 116.700 113.440 3.260 17911 7587 1 14 . 1 1 57 57 THR HA H 243 4.664 4.664 4.752 -0.088 17911 7588 1 14 . 1 1 57 57 THR CA C 243 59.429 59.429 59.914 -0.485 17911 7589 1 14 . 1 1 57 57 THR CB C 243 71.851 71.851 72.063 -0.212 17911 7590 1 14 . 1 1 57 57 THR H H 243 9.279 9.279 8.597 0.682 17911 7591 1 14 . 1 1 58 58 GLN N N 244 119.764 119.764 121.164 -1.400 17911 7592 1 14 . 1 1 58 58 GLN HA H 244 3.827 3.827 4.072 -0.245 17911 7593 1 14 . 1 1 58 58 GLN CA C 244 58.130 58.130 59.575 -1.445 17911 7594 1 14 . 1 1 58 58 GLN CB C 244 27.777 27.777 28.236 -0.459 17911 7595 1 14 . 1 1 58 58 GLN H H 244 8.959 8.959 8.900 0.059 17911 7596 1 14 . 1 1 59 59 ASP N N 245 117.059 117.059 117.175 -0.116 17911 7597 1 14 . 1 1 59 59 ASP HA H 245 4.325 4.325 4.337 -0.012 17911 7598 1 14 . 1 1 59 59 ASP CA C 245 57.301 57.301 57.170 0.131 17911 7599 1 14 . 1 1 59 59 ASP CB C 245 40.029 40.029 40.518 -0.489 17911 7600 1 14 . 1 1 59 59 ASP H H 245 7.838 7.838 8.725 -0.887 17911 7601 1 14 . 1 1 60 60 HIS N N 246 119.076 119.076 118.984 0.092 17911 7602 1 14 . 1 1 60 60 HIS HA H 246 4.296 4.296 4.437 -0.141 17911 7603 1 14 . 1 1 60 60 HIS CA C 246 58.645 58.645 59.294 -0.649 17911 7604 1 14 . 1 1 60 60 HIS CB C 246 32.864 32.864 30.082 2.782 17911 7605 1 14 . 1 1 60 60 HIS H H 246 7.333 7.333 7.554 -0.221 17911 7606 1 14 . 1 1 61 61 VAL N N 247 118.215 118.215 119.767 -1.552 17911 7607 1 14 . 1 1 61 61 VAL HA H 247 3.400 3.400 3.688 -0.288 17911 7608 1 14 . 1 1 61 61 VAL CA C 247 67.257 67.257 66.607 0.650 17911 7609 1 14 . 1 1 61 61 VAL CB C 247 31.010 31.010 31.135 -0.125 17911 7610 1 14 . 1 1 61 61 VAL H H 247 7.565 7.565 8.548 -0.983 17911 7611 1 14 . 1 1 62 62 ASP N N 248 119.651 119.651 119.560 0.091 17911 7612 1 14 . 1 1 62 62 ASP HA H 248 4.358 4.358 4.306 0.052 17911 7613 1 14 . 1 1 62 62 ASP CA C 248 57.557 57.557 57.432 0.125 17911 7614 1 14 . 1 1 62 62 ASP CB C 248 40.027 40.027 41.037 -1.010 17911 7615 1 14 . 1 1 62 62 ASP H H 248 8.142 8.142 8.200 -0.058 17911 7616 1 14 . 1 1 63 63 ILE N N 249 123.545 123.545 116.683 6.862 17911 7617 1 14 . 1 1 63 63 ILE HA H 249 3.756 3.756 3.854 -0.098 17911 7618 1 14 . 1 1 63 63 ILE CA C 249 64.832 64.832 63.496 1.336 17911 7619 1 14 . 1 1 63 63 ILE CB C 249 37.817 37.817 37.919 -0.101 17911 7620 1 14 . 1 1 63 63 ILE H H 249 8.017 8.017 7.309 0.708 17911 7621 1 14 . 1 1 64 64 LEU N N 250 117.125 117.125 117.701 -0.576 17911 7622 1 14 . 1 1 64 64 LEU HA H 250 4.094 4.094 4.251 -0.157 17911 7623 1 14 . 1 1 64 64 LEU CA C 250 55.004 55.004 55.521 -0.517 17911 7624 1 14 . 1 1 64 64 LEU CB C 250 42.662 42.662 41.629 1.033 17911 7625 1 14 . 1 1 64 64 LEU H H 250 7.217 7.217 7.740 -0.523 17911 7626 1 14 . 1 1 65 65 GLY N N 251 108.388 108.388 108.815 -0.427 17911 7627 1 14 . 1 1 65 65 GLY CA C 251 48.708 48.708 48.484 0.224 17911 7628 1 14 . 1 1 65 65 GLY H H 251 7.794 7.794 7.908 -0.114 17911 7629 1 14 . 1 1 66 66 PRO HA H 252 4.243 4.243 4.208 0.035 17911 7630 1 14 . 1 1 66 66 PRO CA C 252 66.036 66.036 65.243 0.793 17911 7631 1 14 . 1 1 66 66 PRO CB C 252 32.172 32.172 31.216 0.956 17911 7632 1 14 . 1 1 67 67 LEU N N 253 117.852 117.852 118.311 -0.459 17911 7633 1 14 . 1 1 67 67 LEU HA H 253 3.866 3.866 3.872 -0.006 17911 7634 1 14 . 1 1 67 67 LEU CA C 253 57.301 57.301 57.138 0.163 17911 7635 1 14 . 1 1 67 67 LEU CB C 253 40.539 40.539 40.900 -0.361 17911 7636 1 14 . 1 1 67 67 LEU H H 253 7.344 7.344 7.395 -0.051 17911 7637 1 14 . 1 1 68 68 SER N N 254 117.191 117.191 115.782 1.409 17911 7638 1 14 . 1 1 68 68 SER HA H 254 4.154 4.154 4.379 -0.225 17911 7639 1 14 . 1 1 68 68 SER CA C 254 60.705 60.705 61.426 -0.721 17911 7640 1 14 . 1 1 68 68 SER CB C 254 63.286 63.286 62.763 0.523 17911 7641 1 14 . 1 1 68 68 SER H H 254 7.883 7.883 8.114 -0.231 17911 7642 1 14 . 1 1 69 69 ALA N N 255 123.895 123.895 124.484 -0.589 17911 7643 1 14 . 1 1 69 69 ALA HA H 255 4.078 4.078 4.191 -0.113 17911 7644 1 14 . 1 1 69 69 ALA CA C 255 54.749 54.749 54.157 0.592 17911 7645 1 14 . 1 1 69 69 ALA CB C 255 17.992 17.992 18.247 -0.255 17911 7646 1 14 . 1 1 69 69 ALA H H 255 8.592 8.592 7.692 0.900 17911 7647 1 14 . 1 1 70 70 GLN N N 256 116.528 116.528 117.541 -1.013 17911 7648 1 14 . 1 1 70 70 GLN HA H 256 4.011 4.011 4.067 -0.056 17911 7649 1 14 . 1 1 70 70 GLN CA C 256 58.634 58.634 58.256 0.378 17911 7650 1 14 . 1 1 70 70 GLN CB C 256 28.939 28.939 29.186 -0.247 17911 7651 1 14 . 1 1 70 70 GLN H H 256 7.744 7.744 8.095 -0.351 17911 7652 1 14 . 1 1 71 71 THR N N 257 103.056 103.056 106.771 -3.715 17911 7653 1 14 . 1 1 71 71 THR HA H 257 4.277 4.277 4.504 -0.227 17911 7654 1 14 . 1 1 71 71 THR CA C 257 62.236 62.236 61.968 0.268 17911 7655 1 14 . 1 1 71 71 THR CB C 257 72.277 72.277 70.731 1.546 17911 7656 1 14 . 1 1 71 71 THR H H 257 7.401 7.401 7.706 -0.305 17911 7657 1 14 . 1 1 72 72 GLY N N 258 111.697 111.697 111.364 0.333 17911 7658 1 14 . 1 1 72 72 GLY CA C 258 45.900 45.900 45.653 0.247 17911 7659 1 14 . 1 1 72 72 GLY H H 258 8.113 8.113 8.199 -0.086 17911 7660 1 14 . 1 1 73 73 ILE N N 259 120.078 120.078 124.118 -4.040 17911 7661 1 14 . 1 1 73 73 ILE HA H 259 4.451 4.451 4.225 0.226 17911 7662 1 14 . 1 1 73 73 ILE CA C 259 58.903 58.903 58.918 -0.015 17911 7663 1 14 . 1 1 73 73 ILE CB C 259 38.497 38.497 36.110 2.387 17911 7664 1 14 . 1 1 73 73 ILE H H 259 7.598 7.598 7.641 -0.043 17911 7665 1 14 . 1 1 74 74 ALA N N 260 107.454 107.454 131.471 -24.017 17911 7666 1 14 . 1 1 74 74 ALA HA H 260 4.178 4.178 4.218 -0.040 17911 7667 1 14 . 1 1 74 74 ALA CA C 260 52.622 52.622 52.507 0.116 17911 7668 1 14 . 1 1 74 74 ALA CB C 260 18.417 18.417 19.718 -1.301 17911 7669 1 14 . 1 1 74 74 ALA H H 260 9.477 9.477 8.635 0.842 17911 7670 1 14 . 1 1 75 75 VAL N N 261 124.569 124.569 123.195 1.374 17911 7671 1 14 . 1 1 75 75 VAL HA H 261 4.095 4.095 3.885 0.210 17911 7672 1 14 . 1 1 75 75 VAL CA C 261 66.637 66.637 66.151 0.486 17911 7673 1 14 . 1 1 75 75 VAL CB C 261 31.575 31.575 31.830 -0.255 17911 7674 1 14 . 1 1 75 75 VAL H H 261 8.927 8.927 8.848 0.079 17911 7675 1 14 . 1 1 76 76 LEU N N 262 117.285 117.285 118.320 -1.035 17911 7676 1 14 . 1 1 76 76 LEU HA H 262 3.827 3.827 4.006 -0.179 17911 7677 1 14 . 1 1 76 76 LEU CA C 262 58.067 58.067 57.247 0.820 17911 7678 1 14 . 1 1 76 76 LEU CB C 262 39.774 39.774 40.907 -1.133 17911 7679 1 14 . 1 1 76 76 LEU H H 262 8.949 8.949 7.995 0.954 17911 7680 1 14 . 1 1 77 77 ASP N N 263 120.854 120.854 121.715 -0.861 17911 7681 1 14 . 1 1 77 77 ASP HA H 263 4.639 4.639 4.720 -0.081 17911 7682 1 14 . 1 1 77 77 ASP CA C 263 57.131 57.131 56.905 0.226 17911 7683 1 14 . 1 1 77 77 ASP CB C 263 39.178 39.178 41.357 -2.179 17911 7684 1 14 . 1 1 77 77 ASP H H 263 7.011 7.011 8.018 -1.007 17911 7685 1 14 . 1 1 78 78 MET N N 264 124.661 124.661 120.851 3.810 17911 7686 1 14 . 1 1 78 78 MET HA H 264 4.343 4.343 4.071 0.272 17911 7687 1 14 . 1 1 78 78 MET CA C 264 57.131 57.131 57.875 -0.744 17911 7688 1 14 . 1 1 78 78 MET CB C 264 31.172 31.172 31.812 -0.640 17911 7689 1 14 . 1 1 78 78 MET H H 264 8.025 8.025 8.128 -0.103 17911 7690 1 14 . 1 1 79 79 CYS N N 265 117.740 117.740 118.217 -0.477 17911 7691 1 14 . 1 1 79 79 CYS HA H 265 3.534 3.534 3.706 -0.172 17911 7692 1 14 . 1 1 79 79 CYS CA C 265 64.317 64.317 63.608 0.709 17911 7693 1 14 . 1 1 79 79 CYS CB C 265 25.564 25.564 26.039 -0.475 17911 7694 1 14 . 1 1 79 79 CYS H H 265 8.703 8.703 8.479 0.224 17911 7695 1 14 . 1 1 80 80 ALA N N 266 123.346 123.346 121.953 1.393 17911 7696 1 14 . 1 1 80 80 ALA HA H 266 3.884 3.884 4.082 -0.198 17911 7697 1 14 . 1 1 80 80 ALA CA C 266 55.174 55.174 55.216 -0.042 17911 7698 1 14 . 1 1 80 80 ALA CB C 266 17.911 17.911 18.018 -0.107 17911 7699 1 14 . 1 1 80 80 ALA H H 266 7.745 7.745 7.909 -0.164 17911 7700 1 14 . 1 1 81 81 ALA N N 267 122.668 122.668 122.271 0.397 17911 7701 1 14 . 1 1 81 81 ALA HA H 267 4.236 4.236 4.247 -0.011 17911 7702 1 14 . 1 1 81 81 ALA CA C 267 54.778 54.778 54.932 -0.154 17911 7703 1 14 . 1 1 81 81 ALA CB C 267 18.247 18.247 18.670 -0.423 17911 7704 1 14 . 1 1 81 81 ALA H H 267 7.513 7.513 8.259 -0.746 17911 7705 1 14 . 1 1 82 82 LEU N N 268 119.844 119.844 120.701 -0.857 17911 7706 1 14 . 1 1 82 82 LEU HA H 268 3.924 3.924 3.940 -0.016 17911 7707 1 14 . 1 1 82 82 LEU CA C 268 57.613 57.613 57.640 -0.027 17911 7708 1 14 . 1 1 82 82 LEU CB C 268 40.681 40.681 41.339 -0.658 17911 7709 1 14 . 1 1 82 82 LEU H H 268 8.304 8.304 8.409 -0.105 17911 7710 1 14 . 1 1 83 83 LYS N N 269 119.140 119.140 119.408 -0.268 17911 7711 1 14 . 1 1 83 83 LYS HA H 269 3.629 3.629 3.824 -0.195 17911 7712 1 14 . 1 1 83 83 LYS CA C 269 60.279 60.279 60.383 -0.104 17911 7713 1 14 . 1 1 83 83 LYS CB C 269 33.052 33.052 32.418 0.634 17911 7714 1 14 . 1 1 83 83 LYS H H 269 8.881 8.881 8.728 0.153 17911 7715 1 14 . 1 1 84 84 GLU N N 270 116.647 116.647 120.042 -3.395 17911 7716 1 14 . 1 1 84 84 GLU HA H 270 4.085 4.085 4.149 -0.064 17911 7717 1 14 . 1 1 84 84 GLU CA C 270 58.903 58.903 59.135 -0.231 17911 7718 1 14 . 1 1 84 84 GLU CB C 270 29.223 29.223 29.439 -0.216 17911 7719 1 14 . 1 1 84 84 GLU H H 270 7.107 7.107 7.983 -0.876 17911 7720 1 14 . 1 1 85 85 LEU N N 271 120.657 120.657 120.579 0.078 17911 7721 1 14 . 1 1 85 85 LEU HA H 271 3.992 3.992 4.204 -0.212 17911 7722 1 14 . 1 1 85 85 LEU CA C 271 57.872 57.872 57.644 0.228 17911 7723 1 14 . 1 1 85 85 LEU CB C 271 42.326 42.326 41.711 0.615 17911 7724 1 14 . 1 1 85 85 LEU H H 271 7.757 7.757 8.175 -0.418 17911 7725 1 14 . 1 1 86 86 LEU N N 272 119.651 119.651 118.044 1.607 17911 7726 1 14 . 1 1 86 86 LEU HA H 272 3.535 3.535 3.676 -0.141 17911 7727 1 14 . 1 1 86 86 LEU CA C 272 57.356 57.356 57.578 -0.223 17911 7728 1 14 . 1 1 86 86 LEU CB C 272 40.880 40.880 41.488 -0.608 17911 7729 1 14 . 1 1 86 86 LEU H H 272 8.336 8.336 8.245 0.091 17911 7730 1 14 . 1 1 87 87 GLN N N 273 113.087 113.087 114.703 -1.616 17911 7731 1 14 . 1 1 87 87 GLN HA H 273 4.099 4.099 3.964 0.135 17911 7732 1 14 . 1 1 87 87 GLN CA C 273 58.387 58.387 57.892 0.495 17911 7733 1 14 . 1 1 87 87 GLN CB C 273 30.159 30.159 29.696 0.463 17911 7734 1 14 . 1 1 87 87 GLN H H 273 7.422 7.422 7.834 -0.412 17911 7735 1 14 . 1 1 88 88 ASN N N 274 113.925 113.925 113.706 0.219 17911 7736 1 14 . 1 1 88 88 ASN HA H 274 4.921 4.921 4.902 0.019 17911 7737 1 14 . 1 1 88 88 ASN CA C 274 53.747 53.747 52.898 0.849 17911 7738 1 14 . 1 1 88 88 ASN CB C 274 40.625 40.625 41.162 -0.537 17911 7739 1 14 . 1 1 88 88 ASN H H 274 8.388 8.388 8.226 0.162 17911 7740 1 14 . 1 1 89 89 GLY N N 275 109.040 109.040 108.469 0.571 17911 7741 1 14 . 1 1 89 89 GLY CA C 275 44.709 44.709 44.738 -0.029 17911 7742 1 14 . 1 1 89 89 GLY H H 275 7.698 7.698 7.460 0.238 17911 7743 1 14 . 1 1 90 90 MET N N 276 115.183 115.183 120.759 -5.576 17911 7744 1 14 . 1 1 90 90 MET HA H 276 4.434 4.434 4.689 -0.255 17911 7745 1 14 . 1 1 90 90 MET CA C 276 56.791 56.791 55.310 1.481 17911 7746 1 14 . 1 1 90 90 MET CB C 276 33.637 33.637 32.778 0.859 17911 7747 1 14 . 1 1 90 90 MET H H 276 8.599 8.599 8.340 0.259 17911 7748 1 14 . 1 1 91 91 ASN N N 277 118.020 118.020 117.753 0.267 17911 7749 1 14 . 1 1 91 91 ASN HA H 277 4.301 4.301 4.380 -0.079 17911 7750 1 14 . 1 1 91 91 ASN CA C 277 53.983 53.983 53.954 0.029 17911 7751 1 14 . 1 1 91 91 ASN CB C 277 37.987 37.987 37.467 0.520 17911 7752 1 14 . 1 1 91 91 ASN H H 277 9.033 9.033 8.587 0.446 17911 7753 1 14 . 1 1 92 92 GLY N N 278 104.906 104.906 103.331 1.575 17911 7754 1 14 . 1 1 92 92 GLY CA C 278 45.645 45.645 45.355 0.290 17911 7755 1 14 . 1 1 92 92 GLY H H 278 8.538 8.538 8.504 0.034 17911 7756 1 14 . 1 1 93 93 ARG N N 279 120.056 120.056 120.823 -0.767 17911 7757 1 14 . 1 1 93 93 ARG HA H 279 4.237 4.237 4.253 -0.016 17911 7758 1 14 . 1 1 93 93 ARG CA C 279 55.344 55.344 56.340 -0.996 17911 7759 1 14 . 1 1 93 93 ARG CB C 279 31.491 31.491 30.926 0.565 17911 7760 1 14 . 1 1 93 93 ARG H H 279 7.257 7.257 7.869 -0.612 17911 7761 1 14 . 1 1 94 94 THR N N 280 106.223 106.223 111.602 -5.379 17911 7762 1 14 . 1 1 94 94 THR HA H 280 5.028 5.028 5.362 -0.334 17911 7763 1 14 . 1 1 94 94 THR CA C 280 59.684 59.684 60.707 -1.023 17911 7764 1 14 . 1 1 94 94 THR CB C 280 72.787 72.787 70.943 1.844 17911 7765 1 14 . 1 1 94 94 THR H H 280 7.726 7.726 8.251 -0.525 17911 7766 1 14 . 1 1 95 95 ILE N N 281 121.214 121.214 122.297 -1.083 17911 7767 1 14 . 1 1 95 95 ILE HA H 281 4.301 4.301 4.586 -0.285 17911 7768 1 14 . 1 1 95 95 ILE CA C 281 62.066 62.066 60.725 1.341 17911 7769 1 14 . 1 1 95 95 ILE CB C 281 40.539 40.539 41.438 -0.899 17911 7770 1 14 . 1 1 95 95 ILE H H 281 8.761 8.761 8.955 -0.194 17911 7771 1 14 . 1 1 96 96 LEU N N 282 128.347 128.347 125.714 2.633 17911 7772 1 14 . 1 1 96 96 LEU HA H 282 3.850 3.850 3.861 -0.011 17911 7773 1 14 . 1 1 96 96 LEU CA C 282 55.344 55.344 55.720 -0.376 17911 7774 1 14 . 1 1 96 96 LEU CB C 282 40.539 40.539 39.766 0.773 17911 7775 1 14 . 1 1 96 96 LEU H H 282 9.905 9.905 9.226 0.679 17911 7776 1 14 . 1 1 97 97 GLY N N 283 103.322 103.322 103.290 0.032 17911 7777 1 14 . 1 1 97 97 GLY CA C 283 45.645 45.645 44.745 0.900 17911 7778 1 14 . 1 1 97 97 GLY H H 283 8.937 8.937 8.407 0.530 17911 7779 1 14 . 1 1 98 98 SER N N 284 116.619 116.619 114.864 1.755 17911 7780 1 14 . 1 1 98 98 SER HA H 284 4.950 4.950 5.066 -0.116 17911 7781 1 14 . 1 1 98 98 SER CA C 284 56.961 56.961 55.788 1.173 17911 7782 1 14 . 1 1 98 98 SER CB C 284 65.044 65.044 64.087 0.957 17911 7783 1 14 . 1 1 98 98 SER H H 284 8.612 8.612 8.203 0.409 17911 7784 1 14 . 1 1 99 99 THR N N 285 114.513 114.513 116.022 -1.509 17911 7785 1 14 . 1 1 99 99 THR HA H 285 4.598 4.598 4.664 -0.066 17911 7786 1 14 . 1 1 99 99 THR CA C 285 61.739 61.739 63.386 -1.647 17911 7787 1 14 . 1 1 99 99 THR CB C 285 69.214 69.214 68.798 0.416 17911 7788 1 14 . 1 1 99 99 THR H H 285 8.601 8.601 8.521 0.080 17911 7789 1 14 . 1 1 100 100 ILE N N 286 117.511 117.511 115.787 1.724 17911 7790 1 14 . 1 1 100 100 ILE HA H 286 4.496 4.496 4.658 -0.162 17911 7791 1 14 . 1 1 100 100 ILE CA C 286 59.173 59.173 59.458 -0.285 17911 7792 1 14 . 1 1 100 100 ILE CB C 286 41.887 41.887 41.211 0.676 17911 7793 1 14 . 1 1 100 100 ILE H H 286 7.931 7.931 7.348 0.583 17911 7794 1 14 . 1 1 101 101 LEU N N 287 121.101 121.101 118.529 2.572 17911 7795 1 14 . 1 1 101 101 LEU HA H 287 4.157 4.157 4.200 -0.043 17911 7796 1 14 . 1 1 101 101 LEU CA C 287 54.520 54.520 53.699 0.821 17911 7797 1 14 . 1 1 101 101 LEU CB C 287 40.083 40.083 42.772 -2.689 17911 7798 1 14 . 1 1 101 101 LEU H H 287 8.025 8.025 8.083 -0.058 17911 7799 1 14 . 1 1 102 102 GLU HA H 288 3.720 3.720 4.272 -0.552 17911 7800 1 14 . 1 1 102 102 GLU CA C 288 55.770 55.770 54.465 1.305 17911 7801 1 14 . 1 1 102 102 GLU CB C 288 29.904 29.904 32.932 -3.028 17911 7802 1 14 . 1 1 103 103 ASP N N 289 121.287 121.287 118.119 3.168 17911 7803 1 14 . 1 1 103 103 ASP HA H 289 4.513 4.513 4.690 -0.177 17911 7804 1 14 . 1 1 103 103 ASP CA C 289 52.281 52.281 53.345 -1.064 17911 7805 1 14 . 1 1 103 103 ASP CB C 289 42.922 42.922 40.764 2.158 17911 7806 1 14 . 1 1 103 103 ASP H H 289 8.014 8.014 8.459 -0.445 17911 7807 1 14 . 1 1 104 104 GLU N N 290 118.245 118.245 119.182 -0.937 17911 7808 1 14 . 1 1 104 104 GLU HA H 290 3.904 3.904 4.080 -0.176 17911 7809 1 14 . 1 1 104 104 GLU CA C 290 57.614 57.614 57.247 0.367 17911 7810 1 14 . 1 1 104 104 GLU CB C 290 30.499 30.499 29.650 0.849 17911 7811 1 14 . 1 1 104 104 GLU H H 290 7.432 7.432 8.580 -1.148 17911 7812 1 14 . 1 1 105 105 PHE N N 291 120.606 120.606 117.853 2.753 17911 7813 1 14 . 1 1 105 105 PHE HA H 291 4.838 4.838 4.716 0.122 17911 7814 1 14 . 1 1 105 105 PHE CA C 291 56.536 56.536 56.581 -0.045 17911 7815 1 14 . 1 1 105 105 PHE CB C 291 39.774 39.774 42.043 -2.269 17911 7816 1 14 . 1 1 105 105 PHE H H 291 8.835 8.835 7.643 1.192 17911 7817 1 14 . 1 1 106 106 THR N N 292 111.349 111.349 111.771 -0.422 17911 7818 1 14 . 1 1 106 106 THR HA H 292 4.670 4.670 4.865 -0.195 17911 7819 1 14 . 1 1 106 106 THR CA C 292 59.344 59.344 57.936 1.408 17911 7820 1 14 . 1 1 106 106 THR CB C 292 69.299 69.299 69.636 -0.337 17911 7821 1 14 . 1 1 106 106 THR H H 292 8.757 8.757 8.317 0.440 17911 7822 1 14 . 1 1 107 107 PRO HA H 293 3.988 3.988 4.584 -0.596 17911 7823 1 14 . 1 1 107 107 PRO CA C 293 65.606 65.606 64.124 1.482 17911 7824 1 14 . 1 1 107 107 PRO CB C 293 31.321 31.321 31.645 -0.324 17911 7825 1 14 . 1 1 108 108 PHE N N 294 114.627 114.627 115.061 -0.434 17911 7826 1 14 . 1 1 108 108 PHE HA H 294 4.201 4.201 4.458 -0.257 17911 7827 1 14 . 1 1 108 108 PHE CA C 294 59.676 59.676 56.865 2.811 17911 7828 1 14 . 1 1 108 108 PHE CB C 294 38.582 38.582 37.493 1.089 17911 7829 1 14 . 1 1 108 108 PHE H H 294 7.310 7.310 7.738 -0.428 17911 7830 1 14 . 1 1 109 109 ASP N N 295 120.210 120.210 120.712 -0.502 17911 7831 1 14 . 1 1 109 109 ASP HA H 295 4.404 4.404 4.506 -0.102 17911 7832 1 14 . 1 1 109 109 ASP CA C 295 57.098 57.098 55.545 1.553 17911 7833 1 14 . 1 1 109 109 ASP CB C 295 41.475 41.475 41.460 0.015 17911 7834 1 14 . 1 1 109 109 ASP H H 295 7.837 7.837 7.869 -0.032 17911 7835 1 14 . 1 1 110 110 VAL N N 296 119.070 119.070 119.667 -0.597 17911 7836 1 14 . 1 1 110 110 VAL HA H 296 3.602 3.602 3.721 -0.119 17911 7837 1 14 . 1 1 110 110 VAL CA C 296 66.491 66.491 62.373 4.118 17911 7838 1 14 . 1 1 110 110 VAL CB C 296 31.605 31.605 30.530 1.075 17911 7839 1 14 . 1 1 110 110 VAL H H 296 7.945 7.945 7.617 0.328 17911 7840 1 14 . 1 1 111 111 VAL N N 297 119.540 119.540 116.813 2.727 17911 7841 1 14 . 1 1 111 111 VAL HA H 297 3.601 3.601 3.748 -0.147 17911 7842 1 14 . 1 1 111 111 VAL CA C 297 66.379 66.379 63.478 2.901 17911 7843 1 14 . 1 1 111 111 VAL CB C 297 31.605 31.605 32.046 -0.441 17911 7844 1 14 . 1 1 111 111 VAL H H 297 8.109 8.109 8.385 -0.276 17911 7845 1 14 . 1 1 112 112 ARG N N 298 119.680 119.680 114.177 5.503 17911 7846 1 14 . 1 1 112 112 ARG HA H 298 4.010 4.010 3.818 0.192 17911 7847 1 14 . 1 1 112 112 ARG CA C 298 58.634 58.634 58.196 0.438 17911 7848 1 14 . 1 1 112 112 ARG CB C 298 30.028 30.028 28.186 1.842 17911 7849 1 14 . 1 1 112 112 ARG H H 298 7.710 7.710 8.432 -0.722 17911 7850 1 14 . 1 1 113 113 GLN N N 299 117.786 117.786 116.473 1.313 17911 7851 1 14 . 1 1 113 113 GLN HA H 299 4.158 4.158 4.592 -0.434 17911 7852 1 14 . 1 1 113 113 GLN CA C 299 57.557 57.557 53.756 3.801 17911 7853 1 14 . 1 1 113 113 GLN CB C 299 29.308 29.308 32.476 -3.168 17911 7854 1 14 . 1 1 113 113 GLN H H 299 8.033 8.033 7.956 0.077 17911 7855 1 14 . 1 1 114 114 CYS N N 300 115.786 115.786 119.400 -3.614 17911 7856 1 14 . 1 1 114 114 CYS HA H 300 4.470 4.470 4.155 0.315 17911 7857 1 14 . 1 1 114 114 CYS CA C 300 59.934 59.934 61.500 -1.566 17911 7858 1 14 . 1 1 114 114 CYS CB C 300 28.293 28.293 27.673 0.620 17911 7859 1 14 . 1 1 114 114 CYS H H 300 8.071 8.071 8.998 -0.927 17911 7860 1 14 . 1 1 115 115 SER N N 301 116.258 116.258 113.575 2.683 17911 7861 1 14 . 1 1 115 115 SER HA H 301 4.407 4.407 4.587 -0.180 17911 7862 1 14 . 1 1 115 115 SER CA C 301 59.485 59.485 58.040 1.445 17911 7863 1 14 . 1 1 115 115 SER CB C 301 63.286 63.286 63.524 -0.238 17911 7864 1 14 . 1 1 115 115 SER H H 301 7.883 7.883 7.789 0.094 17911 7865 1 14 . 1 1 116 116 GLY N N 302 110.709 110.709 110.434 0.275 17911 7866 1 14 . 1 1 116 116 GLY CA C 302 45.239 45.239 45.921 -0.682 17911 7867 1 14 . 1 1 116 116 GLY H H 302 8.355 8.355 8.026 0.329 17911 7868 1 14 . 1 1 117 117 VAL N N 303 119.189 119.189 116.329 2.860 17911 7869 1 14 . 1 1 117 117 VAL HA H 303 4.057 4.057 3.687 0.370 17911 7870 1 14 . 1 1 117 117 VAL CA C 303 62.236 62.236 64.480 -2.244 17911 7871 1 14 . 1 1 117 117 VAL CB C 303 32.626 32.626 31.185 1.441 17911 7872 1 14 . 1 1 117 117 VAL H H 303 7.710 7.710 8.241 -0.531 17911 7873 1 14 . 1 1 118 118 THR N N 304 118.009 118.009 112.045 5.964 17911 7874 1 14 . 1 1 118 118 THR HA H 304 4.279 4.279 4.332 -0.053 17911 7875 1 14 . 1 1 118 118 THR CA C 304 61.556 61.556 61.318 0.238 17911 7876 1 14 . 1 1 118 118 THR CB C 304 69.894 69.894 70.365 -0.471 17911 7877 1 14 . 1 1 118 118 THR H H 304 8.109 8.109 7.147 0.962 17911 7878 1 14 . 1 1 119 119 PHE N N 305 123.287 123.287 118.921 4.366 17911 7879 1 14 . 1 1 119 119 PHE HA H 305 4.605 4.605 4.823 -0.218 17911 7880 1 14 . 1 1 119 119 PHE CA C 305 57.727 57.727 57.833 -0.105 17911 7881 1 14 . 1 1 119 119 PHE CB C 305 39.859 39.859 40.873 -1.014 17911 7882 1 14 . 1 1 119 119 PHE H H 305 8.298 8.298 8.119 0.179 17911 7883 1 15 . 1 1 2 2 ARG N N 188 121.886 121.886 120.664 1.222 17911 7884 1 15 . 1 1 2 2 ARG HA H 188 4.242 4.242 4.040 0.202 17911 7885 1 15 . 1 1 2 2 ARG CA C 188 56.487 56.487 58.919 -2.432 17911 7886 1 15 . 1 1 2 2 ARG CB C 188 30.857 30.857 30.258 0.600 17911 7887 1 15 . 1 1 2 2 ARG H H 188 8.475 8.475 8.547 -0.072 17911 7888 1 15 . 1 1 3 3 GLN N N 189 121.336 121.336 117.531 3.805 17911 7889 1 15 . 1 1 3 3 GLN HA H 189 4.302 4.302 4.329 -0.027 17911 7890 1 15 . 1 1 3 3 GLN CA C 189 56.366 56.366 57.325 -0.959 17911 7891 1 15 . 1 1 3 3 GLN CB C 189 29.254 29.254 28.126 1.128 17911 7892 1 15 . 1 1 3 3 GLN H H 189 8.553 8.553 8.481 0.072 17911 7893 1 15 . 1 1 4 4 THR N N 190 115.273 115.273 108.703 6.570 17911 7894 1 15 . 1 1 4 4 THR HA H 190 4.275 4.275 4.605 -0.330 17911 7895 1 15 . 1 1 4 4 THR CA C 190 62.066 62.066 61.793 0.273 17911 7896 1 15 . 1 1 4 4 THR CB C 190 69.894 69.894 70.556 -0.662 17911 7897 1 15 . 1 1 4 4 THR H H 190 8.123 8.123 7.835 0.288 17911 7898 1 15 . 1 1 5 5 ALA N N 191 126.029 126.029 124.675 1.354 17911 7899 1 15 . 1 1 5 5 ALA HA H 191 4.247 4.247 3.933 0.314 17911 7900 1 15 . 1 1 5 5 ALA CA C 191 52.537 52.537 55.460 -2.923 17911 7901 1 15 . 1 1 5 5 ALA CB C 191 19.183 19.183 18.045 1.138 17911 7902 1 15 . 1 1 5 5 ALA H H 191 8.284 8.284 8.462 -0.178 17911 7903 1 15 . 1 1 6 6 GLN N N 192 119.614 119.614 118.659 0.955 17911 7904 1 15 . 1 1 6 6 GLN HA H 192 4.217 4.217 4.040 0.177 17911 7905 1 15 . 1 1 6 6 GLN CA C 192 55.685 55.685 58.176 -2.491 17911 7906 1 15 . 1 1 6 6 GLN CB C 192 29.513 29.513 27.912 1.601 17911 7907 1 15 . 1 1 6 6 GLN H H 192 8.287 8.287 8.525 -0.238 17911 7908 1 15 . 1 1 7 7 ALA N N 193 125.571 125.571 122.240 3.331 17911 7909 1 15 . 1 1 7 7 ALA HA H 193 4.246 4.246 4.272 -0.026 17911 7910 1 15 . 1 1 7 7 ALA CA C 193 52.537 52.537 54.369 -1.832 17911 7911 1 15 . 1 1 7 7 ALA CB C 193 19.268 19.268 18.114 1.154 17911 7912 1 15 . 1 1 7 7 ALA H H 193 8.271 8.271 7.592 0.679 17911 7913 1 15 . 1 1 8 8 ALA N N 194 123.461 123.461 119.737 3.724 17911 7914 1 15 . 1 1 8 8 ALA HA H 194 4.250 4.250 4.068 0.182 17911 7915 1 15 . 1 1 8 8 ALA CA C 194 52.593 52.593 54.149 -1.556 17911 7916 1 15 . 1 1 8 8 ALA CB C 194 19.324 19.324 18.599 0.725 17911 7917 1 15 . 1 1 8 8 ALA H H 194 8.275 8.275 8.301 -0.026 17911 7918 1 15 . 1 1 9 9 GLY N N 195 108.312 108.312 107.857 0.455 17911 7919 1 15 . 1 1 9 9 GLY CA C 195 45.219 45.219 45.920 -0.701 17911 7920 1 15 . 1 1 9 9 GLY H H 195 8.328 8.328 7.670 0.658 17911 7921 1 15 . 1 1 10 10 THR N N 196 112.710 112.710 112.769 -0.059 17911 7922 1 15 . 1 1 10 10 THR HA H 196 4.334 4.334 4.125 0.209 17911 7923 1 15 . 1 1 10 10 THR CA C 196 61.471 61.471 63.758 -2.287 17911 7924 1 15 . 1 1 10 10 THR CB C 196 69.894 69.894 69.647 0.246 17911 7925 1 15 . 1 1 10 10 THR H H 196 7.998 7.998 7.760 0.238 17911 7926 1 15 . 1 1 11 11 ASP N N 197 122.862 122.862 121.632 1.230 17911 7927 1 15 . 1 1 11 11 ASP HA H 197 4.609 4.609 4.302 0.307 17911 7928 1 15 . 1 1 11 11 ASP CA C 197 54.262 54.262 55.394 -1.132 17911 7929 1 15 . 1 1 11 11 ASP CB C 197 41.135 41.135 39.757 1.378 17911 7930 1 15 . 1 1 11 11 ASP H H 197 8.404 8.404 8.212 0.192 17911 7931 1 15 . 1 1 12 12 THR N N 198 114.709 114.709 110.882 3.827 17911 7932 1 15 . 1 1 12 12 THR HA H 198 4.400 4.400 4.481 -0.081 17911 7933 1 15 . 1 1 12 12 THR CA C 198 61.223 61.223 62.210 -0.987 17911 7934 1 15 . 1 1 12 12 THR CB C 198 70.490 70.490 69.616 0.874 17911 7935 1 15 . 1 1 12 12 THR H H 198 7.895 7.895 7.410 0.485 17911 7936 1 15 . 1 1 13 13 THR N N 199 122.785 122.785 120.901 1.884 17911 7937 1 15 . 1 1 13 13 THR HA H 199 3.961 3.961 4.218 -0.257 17911 7938 1 15 . 1 1 13 13 THR CA C 199 63.286 63.286 63.499 -0.213 17911 7939 1 15 . 1 1 13 13 THR CB C 199 68.958 68.958 68.913 0.045 17911 7940 1 15 . 1 1 13 13 THR H H 199 8.354 8.354 8.179 0.175 17911 7941 1 15 . 1 1 14 14 ILE N N 200 127.902 127.902 129.942 -2.040 17911 7942 1 15 . 1 1 14 14 ILE HA H 200 3.807 3.807 4.175 -0.368 17911 7943 1 15 . 1 1 14 14 ILE CA C 200 60.965 60.965 61.495 -0.530 17911 7944 1 15 . 1 1 14 14 ILE CB C 200 35.860 35.860 35.759 0.101 17911 7945 1 15 . 1 1 14 14 ILE H H 200 9.362 9.362 9.157 0.205 17911 7946 1 15 . 1 1 15 15 THR N N 201 130.379 130.379 122.406 7.973 17911 7947 1 15 . 1 1 15 15 THR HA H 201 3.521 3.521 4.034 -0.513 17911 7948 1 15 . 1 1 15 15 THR CA C 201 66.637 66.637 66.906 -0.269 17911 7949 1 15 . 1 1 15 15 THR CB C 201 67.411 67.411 68.582 -1.171 17911 7950 1 15 . 1 1 15 15 THR H H 201 7.834 7.834 8.086 -0.252 17911 7951 1 15 . 1 1 16 16 LEU N N 202 120.049 120.049 121.754 -1.705 17911 7952 1 15 . 1 1 16 16 LEU HA H 202 3.715 3.715 4.082 -0.367 17911 7953 1 15 . 1 1 16 16 LEU CA C 202 58.387 58.387 58.700 -0.313 17911 7954 1 15 . 1 1 16 16 LEU CB C 202 43.148 43.148 41.739 1.409 17911 7955 1 15 . 1 1 16 16 LEU H H 202 8.913 8.913 8.601 0.312 17911 7956 1 15 . 1 1 17 17 ASN N N 203 117.390 117.390 117.161 0.229 17911 7957 1 15 . 1 1 17 17 ASN HA H 203 4.594 4.594 4.765 -0.171 17911 7958 1 15 . 1 1 17 17 ASN CA C 203 54.520 54.520 55.558 -1.038 17911 7959 1 15 . 1 1 17 17 ASN CB C 203 37.246 37.246 38.114 -0.868 17911 7960 1 15 . 1 1 17 17 ASN H H 203 6.926 6.926 8.040 -1.114 17911 7961 1 15 . 1 1 18 18 VAL N N 204 123.434 123.434 122.589 0.845 17911 7962 1 15 . 1 1 18 18 VAL HA H 204 4.242 4.242 4.090 0.152 17911 7963 1 15 . 1 1 18 18 VAL CA C 204 66.236 66.236 66.675 -0.439 17911 7964 1 15 . 1 1 18 18 VAL CB C 204 31.605 31.605 31.727 -0.122 17911 7965 1 15 . 1 1 18 18 VAL H H 204 7.660 7.660 7.755 -0.095 17911 7966 1 15 . 1 1 19 19 LEU N N 205 117.301 117.301 120.215 -2.914 17911 7967 1 15 . 1 1 19 19 LEU HA H 205 3.945 3.945 3.880 0.065 17911 7968 1 15 . 1 1 19 19 LEU CA C 205 58.408 58.408 58.423 -0.015 17911 7969 1 15 . 1 1 19 19 LEU CB C 205 42.918 42.918 41.116 1.802 17911 7970 1 15 . 1 1 19 19 LEU H H 205 8.573 8.573 8.613 -0.040 17911 7971 1 15 . 1 1 20 20 ALA N N 206 120.290 120.290 122.142 -1.852 17911 7972 1 15 . 1 1 20 20 ALA HA H 206 4.012 4.012 4.212 -0.200 17911 7973 1 15 . 1 1 20 20 ALA CA C 206 56.195 56.195 55.253 0.942 17911 7974 1 15 . 1 1 20 20 ALA CB C 206 17.911 17.911 18.137 -0.226 17911 7975 1 15 . 1 1 20 20 ALA H H 206 8.188 8.188 8.261 -0.073 17911 7976 1 15 . 1 1 21 21 TRP N N 207 121.219 121.219 120.653 0.566 17911 7977 1 15 . 1 1 21 21 TRP HA H 207 4.110 4.110 4.323 -0.213 17911 7978 1 15 . 1 1 21 21 TRP CA C 207 61.224 61.224 61.885 -0.661 17911 7979 1 15 . 1 1 21 21 TRP CB C 207 28.712 28.712 29.683 -0.971 17911 7980 1 15 . 1 1 21 21 TRP H H 207 8.406 8.406 8.508 -0.102 17911 7981 1 15 . 1 1 22 22 LEU HA H 208 3.517 3.517 3.720 -0.203 17911 7982 1 15 . 1 1 22 22 LEU CA C 208 57.897 57.897 58.100 -0.203 17911 7983 1 15 . 1 1 22 22 LEU CB C 208 40.880 40.880 40.964 -0.084 17911 7984 1 15 . 1 1 22 22 LEU H H 208 8.620 8.620 8.810 -0.190 17911 7985 1 15 . 1 1 23 23 TYR N N 209 117.656 117.656 118.925 -1.269 17911 7986 1 15 . 1 1 23 23 TYR HA H 209 3.956 3.956 4.086 -0.130 17911 7987 1 15 . 1 1 23 23 TYR CA C 209 64.704 64.704 61.875 2.829 17911 7988 1 15 . 1 1 23 23 TYR CB C 209 38.793 38.793 37.516 1.277 17911 7989 1 15 . 1 1 23 23 TYR H H 209 8.368 8.368 8.606 -0.238 17911 7990 1 15 . 1 1 24 24 ALA N N 210 122.658 122.658 121.399 1.259 17911 7991 1 15 . 1 1 24 24 ALA HA H 210 3.837 3.837 3.808 0.028 17911 7992 1 15 . 1 1 24 24 ALA CA C 210 55.036 55.036 54.801 0.235 17911 7993 1 15 . 1 1 24 24 ALA CB C 210 17.311 17.311 17.932 -0.621 17911 7994 1 15 . 1 1 24 24 ALA H H 210 8.461 8.461 8.572 -0.111 17911 7995 1 15 . 1 1 25 25 ALA N N 211 123.868 123.868 121.601 2.267 17911 7996 1 15 . 1 1 25 25 ALA HA H 211 3.761 3.761 3.735 0.026 17911 7997 1 15 . 1 1 25 25 ALA CA C 211 55.551 55.551 54.876 0.675 17911 7998 1 15 . 1 1 25 25 ALA CB C 211 17.992 17.992 18.257 -0.265 17911 7999 1 15 . 1 1 25 25 ALA H H 211 8.564 8.564 7.820 0.744 17911 8000 1 15 . 1 1 26 26 VAL N N 212 119.783 119.783 119.198 0.585 17911 8001 1 15 . 1 1 26 26 VAL HA H 212 3.487 3.487 3.638 -0.151 17911 8002 1 15 . 1 1 26 26 VAL CA C 212 66.576 66.576 66.463 0.113 17911 8003 1 15 . 1 1 26 26 VAL CB C 212 31.575 31.575 31.165 0.410 17911 8004 1 15 . 1 1 26 26 VAL H H 212 8.008 8.008 8.171 -0.163 17911 8005 1 15 . 1 1 27 27 ILE N N 213 124.428 124.428 117.967 6.461 17911 8006 1 15 . 1 1 27 27 ILE HA H 213 3.559 3.559 3.692 -0.133 17911 8007 1 15 . 1 1 27 27 ILE CA C 213 65.526 65.526 64.489 1.037 17911 8008 1 15 . 1 1 27 27 ILE CB C 213 37.902 37.902 37.783 0.119 17911 8009 1 15 . 1 1 27 27 ILE H H 213 8.576 8.576 8.258 0.318 17911 8010 1 15 . 1 1 28 28 ASN N N 214 116.563 116.563 115.567 0.996 17911 8011 1 15 . 1 1 28 28 ASN HA H 214 4.565 4.565 4.592 -0.027 17911 8012 1 15 . 1 1 28 28 ASN CA C 214 54.579 54.579 55.035 -0.456 17911 8013 1 15 . 1 1 28 28 ASN CB C 214 40.340 40.340 39.954 0.386 17911 8014 1 15 . 1 1 28 28 ASN H H 214 7.714 7.714 7.965 -0.251 17911 8015 1 15 . 1 1 29 29 GLY N N 215 107.004 107.004 107.241 -0.237 17911 8016 1 15 . 1 1 29 29 GLY CA C 215 45.683 45.683 44.877 0.806 17911 8017 1 15 . 1 1 29 29 GLY H H 215 7.861 7.861 8.340 -0.479 17911 8018 1 15 . 1 1 30 30 ASP N N 216 125.780 125.780 125.235 0.545 17911 8019 1 15 . 1 1 30 30 ASP HA H 216 5.019 5.019 4.604 0.415 17911 8020 1 15 . 1 1 30 30 ASP CA C 216 53.643 53.643 55.581 -1.938 17911 8021 1 15 . 1 1 30 30 ASP CB C 216 41.561 41.561 40.799 0.762 17911 8022 1 15 . 1 1 30 30 ASP H H 216 8.560 8.560 8.193 0.367 17911 8023 1 15 . 1 1 31 31 ARG N N 217 115.297 115.297 121.016 -5.719 17911 8024 1 15 . 1 1 31 31 ARG HA H 217 3.711 3.711 2.984 0.727 17911 8025 1 15 . 1 1 31 31 ARG CA C 217 54.520 54.520 54.860 -0.340 17911 8026 1 15 . 1 1 31 31 ARG CB C 217 32.116 32.116 30.505 1.611 17911 8027 1 15 . 1 1 31 31 ARG H H 217 7.984 7.984 7.812 0.172 17911 8028 1 15 . 1 1 32 32 TRP N N 218 119.754 119.754 120.247 -0.493 17911 8029 1 15 . 1 1 32 32 TRP HA H 218 4.120 4.120 4.239 -0.119 17911 8030 1 15 . 1 1 32 32 TRP CA C 218 58.387 58.387 58.068 0.319 17911 8031 1 15 . 1 1 32 32 TRP CB C 218 28.372 28.372 28.066 0.306 17911 8032 1 15 . 1 1 32 32 TRP H H 218 7.368 7.368 7.340 0.028 17911 8033 1 15 . 1 1 33 33 PHE HA H 219 3.919 3.919 4.494 -0.575 17911 8034 1 15 . 1 1 33 33 PHE CA C 219 55.315 55.315 55.829 -0.514 17911 8035 1 15 . 1 1 33 33 PHE CB C 219 37.277 37.277 37.343 -0.066 17911 8036 1 15 . 1 1 34 34 LEU N N 220 122.632 122.632 121.195 1.437 17911 8037 1 15 . 1 1 34 34 LEU HA H 220 3.931 3.931 4.007 -0.076 17911 8038 1 15 . 1 1 34 34 LEU CA C 220 55.315 55.315 55.000 0.315 17911 8039 1 15 . 1 1 34 34 LEU CB C 220 40.790 40.790 41.301 -0.511 17911 8040 1 15 . 1 1 34 34 LEU H H 220 6.447 6.447 7.069 -0.622 17911 8041 1 15 . 1 1 35 35 ASN N N 221 119.503 119.503 123.014 -3.511 17911 8042 1 15 . 1 1 35 35 ASN HA H 221 4.709 4.709 4.608 0.101 17911 8043 1 15 . 1 1 35 35 ASN CA C 221 52.026 52.026 53.075 -1.049 17911 8044 1 15 . 1 1 35 35 ASN CB C 221 40.598 40.598 39.703 0.895 17911 8045 1 15 . 1 1 35 35 ASN H H 221 8.105 8.105 8.409 -0.304 17911 8046 1 15 . 1 1 36 36 ARG N N 222 116.408 116.408 121.368 -4.960 17911 8047 1 15 . 1 1 36 36 ARG HA H 222 4.293 4.293 4.089 0.204 17911 8048 1 15 . 1 1 36 36 ARG CA C 222 55.600 55.600 57.191 -1.591 17911 8049 1 15 . 1 1 36 36 ARG CB C 222 28.997 28.997 30.161 -1.164 17911 8050 1 15 . 1 1 36 36 ARG H H 222 8.099 8.099 8.661 -0.562 17911 8051 1 15 . 1 1 37 37 PHE N N 223 120.398 120.398 116.165 4.233 17911 8052 1 15 . 1 1 37 37 PHE HA H 223 4.813 4.813 4.775 0.038 17911 8053 1 15 . 1 1 37 37 PHE CA C 223 56.081 56.081 55.929 0.152 17911 8054 1 15 . 1 1 37 37 PHE CB C 223 40.085 40.085 42.121 -2.036 17911 8055 1 15 . 1 1 37 37 PHE H H 223 7.842 7.842 8.328 -0.486 17911 8056 1 15 . 1 1 38 38 THR N N 224 112.040 112.040 111.872 0.168 17911 8057 1 15 . 1 1 38 38 THR HA H 224 4.653 4.653 4.577 0.076 17911 8058 1 15 . 1 1 38 38 THR CA C 224 60.708 60.708 61.859 -1.151 17911 8059 1 15 . 1 1 38 38 THR CB C 224 71.000 71.000 69.975 1.025 17911 8060 1 15 . 1 1 38 38 THR H H 224 8.231 8.231 8.362 -0.131 17911 8061 1 15 . 1 1 39 39 THR N N 225 116.627 116.627 114.559 2.068 17911 8062 1 15 . 1 1 39 39 THR HA H 225 4.925 4.925 4.633 0.292 17911 8063 1 15 . 1 1 39 39 THR CA C 225 59.677 59.677 59.684 -0.007 17911 8064 1 15 . 1 1 39 39 THR CB C 225 69.989 69.989 70.616 -0.627 17911 8065 1 15 . 1 1 39 39 THR H H 225 8.107 8.107 8.021 0.086 17911 8066 1 15 . 1 1 40 40 THR N N 226 111.263 111.263 115.545 -4.282 17911 8067 1 15 . 1 1 40 40 THR HA H 226 4.727 4.727 4.536 0.191 17911 8068 1 15 . 1 1 40 40 THR CA C 226 59.740 59.740 60.880 -1.140 17911 8069 1 15 . 1 1 40 40 THR CB C 226 72.052 72.052 70.334 1.718 17911 8070 1 15 . 1 1 40 40 THR H H 226 8.481 8.481 8.174 0.307 17911 8071 1 15 . 1 1 41 41 LEU N N 227 123.989 123.989 124.132 -0.143 17911 8072 1 15 . 1 1 41 41 LEU HA H 227 3.986 3.986 4.177 -0.191 17911 8073 1 15 . 1 1 41 41 LEU CA C 227 58.903 58.903 58.169 0.734 17911 8074 1 15 . 1 1 41 41 LEU CB C 227 41.561 41.561 41.897 -0.336 17911 8075 1 15 . 1 1 41 41 LEU H H 227 9.259 9.259 8.815 0.444 17911 8076 1 15 . 1 1 42 42 ASN N N 228 115.183 115.183 117.136 -1.953 17911 8077 1 15 . 1 1 42 42 ASN HA H 228 4.435 4.435 4.430 0.005 17911 8078 1 15 . 1 1 42 42 ASN CA C 228 56.961 56.961 57.342 -0.381 17911 8079 1 15 . 1 1 42 42 ASN CB C 228 38.497 38.497 38.151 0.346 17911 8080 1 15 . 1 1 42 42 ASN H H 228 8.598 8.598 8.496 0.102 17911 8081 1 15 . 1 1 43 43 ASP N N 229 118.746 118.746 120.017 -1.271 17911 8082 1 15 . 1 1 43 43 ASP HA H 229 4.367 4.367 4.455 -0.088 17911 8083 1 15 . 1 1 43 43 ASP CA C 229 57.387 57.387 57.086 0.301 17911 8084 1 15 . 1 1 43 43 ASP CB C 229 40.625 40.625 40.964 -0.339 17911 8085 1 15 . 1 1 43 43 ASP H H 229 7.847 7.847 7.905 -0.058 17911 8086 1 15 . 1 1 44 44 PHE N N 230 120.193 120.193 121.163 -0.970 17911 8087 1 15 . 1 1 44 44 PHE HA H 230 3.808 3.808 4.142 -0.334 17911 8088 1 15 . 1 1 44 44 PHE CA C 230 62.747 62.747 61.568 1.179 17911 8089 1 15 . 1 1 44 44 PHE CB C 230 38.753 38.753 39.305 -0.552 17911 8090 1 15 . 1 1 44 44 PHE H H 230 8.547 8.547 8.310 0.237 17911 8091 1 15 . 1 1 45 45 ASN N N 231 118.852 118.852 118.305 0.547 17911 8092 1 15 . 1 1 45 45 ASN HA H 231 4.472 4.472 4.239 0.233 17911 8093 1 15 . 1 1 45 45 ASN CA C 231 55.344 55.344 56.224 -0.880 17911 8094 1 15 . 1 1 45 45 ASN CB C 231 37.391 37.391 38.216 -0.825 17911 8095 1 15 . 1 1 45 45 ASN H H 231 8.727 8.727 8.556 0.171 17911 8096 1 15 . 1 1 46 46 LEU N N 232 120.221 120.221 118.369 1.852 17911 8097 1 15 . 1 1 46 46 LEU HA H 232 4.065 4.065 4.231 -0.166 17911 8098 1 15 . 1 1 46 46 LEU CA C 232 58.152 58.152 58.309 -0.157 17911 8099 1 15 . 1 1 46 46 LEU CB C 232 42.071 42.071 41.210 0.861 17911 8100 1 15 . 1 1 46 46 LEU H H 232 7.516 7.516 8.168 -0.652 17911 8101 1 15 . 1 1 47 47 VAL N N 233 119.649 119.649 119.589 0.060 17911 8102 1 15 . 1 1 47 47 VAL HA H 233 3.604 3.604 3.502 0.102 17911 8103 1 15 . 1 1 47 47 VAL CA C 233 65.864 65.864 66.441 -0.577 17911 8104 1 15 . 1 1 47 47 VAL CB C 233 31.575 31.575 31.583 -0.008 17911 8105 1 15 . 1 1 47 47 VAL H H 233 6.987 6.987 7.375 -0.388 17911 8106 1 15 . 1 1 48 48 ALA N N 234 122.056 122.056 122.340 -0.284 17911 8107 1 15 . 1 1 48 48 ALA HA H 234 3.451 3.451 3.816 -0.365 17911 8108 1 15 . 1 1 48 48 ALA CA C 234 55.741 55.741 55.117 0.624 17911 8109 1 15 . 1 1 48 48 ALA CB C 234 16.971 16.971 18.060 -1.089 17911 8110 1 15 . 1 1 48 48 ALA H H 234 8.480 8.480 8.119 0.361 17911 8111 1 15 . 1 1 49 49 MET N N 235 114.180 114.180 118.071 -3.891 17911 8112 1 15 . 1 1 49 49 MET HA H 235 4.272 4.272 4.169 0.103 17911 8113 1 15 . 1 1 49 49 MET CA C 235 59.003 59.003 59.049 -0.046 17911 8114 1 15 . 1 1 49 49 MET CB C 235 32.967 32.967 32.563 0.404 17911 8115 1 15 . 1 1 49 49 MET H H 235 7.950 7.950 8.384 -0.434 17911 8116 1 15 . 1 1 50 50 LYS N N 236 120.217 120.217 120.005 0.212 17911 8117 1 15 . 1 1 50 50 LYS HA H 236 3.945 3.945 3.864 0.081 17911 8118 1 15 . 1 1 50 50 LYS CA C 236 58.378 58.378 58.595 -0.217 17911 8119 1 15 . 1 1 50 50 LYS CB C 236 31.833 31.833 32.367 -0.534 17911 8120 1 15 . 1 1 50 50 LYS H H 236 7.378 7.378 7.943 -0.565 17911 8121 1 15 . 1 1 51 51 TYR N N 237 115.853 115.853 114.901 0.952 17911 8122 1 15 . 1 1 51 51 TYR HA H 237 4.462 4.462 4.628 -0.166 17911 8123 1 15 . 1 1 51 51 TYR CA C 237 58.293 58.293 56.962 1.331 17911 8124 1 15 . 1 1 51 51 TYR CB C 237 38.668 38.668 37.870 0.798 17911 8125 1 15 . 1 1 51 51 TYR H H 237 7.392 7.392 7.379 0.013 17911 8126 1 15 . 1 1 52 52 ASN N N 238 115.965 115.965 115.929 0.036 17911 8127 1 15 . 1 1 52 52 ASN HA H 238 4.403 4.403 4.377 0.026 17911 8128 1 15 . 1 1 52 52 ASN CA C 238 54.834 54.834 54.480 0.353 17911 8129 1 15 . 1 1 52 52 ASN CB C 238 36.881 36.881 37.684 -0.803 17911 8130 1 15 . 1 1 52 52 ASN H H 238 7.914 7.914 7.763 0.150 17911 8131 1 15 . 1 1 53 53 TYR N N 239 120.379 120.379 118.092 2.287 17911 8132 1 15 . 1 1 53 53 TYR HA H 239 4.675 4.675 4.716 -0.041 17911 8133 1 15 . 1 1 53 53 TYR CA C 239 57.387 57.387 57.296 0.091 17911 8134 1 15 . 1 1 53 53 TYR CB C 239 37.788 37.788 39.004 -1.216 17911 8135 1 15 . 1 1 53 53 TYR H H 239 8.341 8.341 8.291 0.050 17911 8136 1 15 . 1 1 54 54 GLU N N 240 122.559 122.559 122.871 -0.312 17911 8137 1 15 . 1 1 54 54 GLU HA H 240 4.317 4.317 4.353 -0.036 17911 8138 1 15 . 1 1 54 54 GLU CA C 240 54.579 54.579 55.848 -1.269 17911 8139 1 15 . 1 1 54 54 GLU CB C 240 30.802 30.802 29.810 0.992 17911 8140 1 15 . 1 1 54 54 GLU H H 240 8.114 8.114 8.763 -0.649 17911 8141 1 15 . 1 1 55 55 PRO HA H 241 4.314 4.314 4.424 -0.110 17911 8142 1 15 . 1 1 55 55 PRO CA C 241 62.973 62.973 62.745 0.228 17911 8143 1 15 . 1 1 55 55 PRO CB C 241 31.917 31.917 32.487 -0.570 17911 8144 1 15 . 1 1 56 56 LEU N N 242 124.468 124.468 120.897 3.571 17911 8145 1 15 . 1 1 56 56 LEU HA H 242 5.200 5.200 4.713 0.487 17911 8146 1 15 . 1 1 56 56 LEU CA C 242 53.747 53.747 53.950 -0.203 17911 8147 1 15 . 1 1 56 56 LEU CB C 242 45.560 45.560 46.418 -0.858 17911 8148 1 15 . 1 1 56 56 LEU H H 242 9.650 9.650 9.284 0.366 17911 8149 1 15 . 1 1 57 57 THR N N 243 116.700 116.700 113.253 3.447 17911 8150 1 15 . 1 1 57 57 THR HA H 243 4.664 4.664 4.854 -0.190 17911 8151 1 15 . 1 1 57 57 THR CA C 243 59.429 59.429 59.775 -0.346 17911 8152 1 15 . 1 1 57 57 THR CB C 243 71.851 71.851 71.829 0.022 17911 8153 1 15 . 1 1 57 57 THR H H 243 9.279 9.279 8.530 0.749 17911 8154 1 15 . 1 1 58 58 GLN N N 244 119.764 119.764 121.498 -1.734 17911 8155 1 15 . 1 1 58 58 GLN HA H 244 3.827 3.827 4.043 -0.216 17911 8156 1 15 . 1 1 58 58 GLN CA C 244 58.130 58.130 59.295 -1.165 17911 8157 1 15 . 1 1 58 58 GLN CB C 244 27.777 27.777 28.200 -0.422 17911 8158 1 15 . 1 1 58 58 GLN H H 244 8.959 8.959 8.935 0.024 17911 8159 1 15 . 1 1 59 59 ASP N N 245 117.059 117.059 116.520 0.539 17911 8160 1 15 . 1 1 59 59 ASP HA H 245 4.325 4.325 4.333 -0.008 17911 8161 1 15 . 1 1 59 59 ASP CA C 245 57.301 57.301 57.073 0.228 17911 8162 1 15 . 1 1 59 59 ASP CB C 245 40.029 40.029 40.486 -0.457 17911 8163 1 15 . 1 1 59 59 ASP H H 245 7.838 7.838 8.800 -0.962 17911 8164 1 15 . 1 1 60 60 HIS N N 246 119.076 119.076 118.815 0.261 17911 8165 1 15 . 1 1 60 60 HIS HA H 246 4.296 4.296 4.468 -0.172 17911 8166 1 15 . 1 1 60 60 HIS CA C 246 58.645 58.645 59.132 -0.487 17911 8167 1 15 . 1 1 60 60 HIS CB C 246 32.864 32.864 30.128 2.736 17911 8168 1 15 . 1 1 60 60 HIS H H 246 7.333 7.333 7.394 -0.061 17911 8169 1 15 . 1 1 61 61 VAL N N 247 118.215 118.215 119.829 -1.614 17911 8170 1 15 . 1 1 61 61 VAL HA H 247 3.400 3.400 3.693 -0.293 17911 8171 1 15 . 1 1 61 61 VAL CA C 247 67.257 67.257 66.553 0.704 17911 8172 1 15 . 1 1 61 61 VAL CB C 247 31.010 31.010 31.105 -0.095 17911 8173 1 15 . 1 1 61 61 VAL H H 247 7.565 7.565 8.534 -0.969 17911 8174 1 15 . 1 1 62 62 ASP N N 248 119.651 119.651 119.465 0.186 17911 8175 1 15 . 1 1 62 62 ASP HA H 248 4.358 4.358 4.326 0.032 17911 8176 1 15 . 1 1 62 62 ASP CA C 248 57.557 57.557 57.348 0.209 17911 8177 1 15 . 1 1 62 62 ASP CB C 248 40.027 40.027 41.022 -0.995 17911 8178 1 15 . 1 1 62 62 ASP H H 248 8.142 8.142 8.268 -0.126 17911 8179 1 15 . 1 1 63 63 ILE N N 249 123.545 123.545 117.744 5.801 17911 8180 1 15 . 1 1 63 63 ILE HA H 249 3.756 3.756 3.874 -0.118 17911 8181 1 15 . 1 1 63 63 ILE CA C 249 64.832 64.832 63.740 1.092 17911 8182 1 15 . 1 1 63 63 ILE CB C 249 37.817 37.817 37.972 -0.155 17911 8183 1 15 . 1 1 63 63 ILE H H 249 8.017 8.017 7.243 0.774 17911 8184 1 15 . 1 1 64 64 LEU N N 250 117.125 117.125 117.828 -0.703 17911 8185 1 15 . 1 1 64 64 LEU HA H 250 4.094 4.094 4.284 -0.190 17911 8186 1 15 . 1 1 64 64 LEU CA C 250 55.004 55.004 55.554 -0.550 17911 8187 1 15 . 1 1 64 64 LEU CB C 250 42.662 42.662 41.628 1.034 17911 8188 1 15 . 1 1 64 64 LEU H H 250 7.217 7.217 7.794 -0.577 17911 8189 1 15 . 1 1 65 65 GLY N N 251 108.388 108.388 108.733 -0.345 17911 8190 1 15 . 1 1 65 65 GLY CA C 251 48.708 48.708 48.449 0.259 17911 8191 1 15 . 1 1 65 65 GLY H H 251 7.794 7.794 7.938 -0.144 17911 8192 1 15 . 1 1 66 66 PRO HA H 252 4.243 4.243 4.150 0.093 17911 8193 1 15 . 1 1 66 66 PRO CA C 252 66.036 66.036 65.794 0.242 17911 8194 1 15 . 1 1 66 66 PRO CB C 252 32.172 32.172 31.469 0.703 17911 8195 1 15 . 1 1 67 67 LEU N N 253 117.852 117.852 116.724 1.128 17911 8196 1 15 . 1 1 67 67 LEU HA H 253 3.866 3.866 3.848 0.018 17911 8197 1 15 . 1 1 67 67 LEU CA C 253 57.301 57.301 57.381 -0.080 17911 8198 1 15 . 1 1 67 67 LEU CB C 253 40.539 40.539 41.211 -0.672 17911 8199 1 15 . 1 1 67 67 LEU H H 253 7.344 7.344 7.380 -0.036 17911 8200 1 15 . 1 1 68 68 SER N N 254 117.191 117.191 114.525 2.666 17911 8201 1 15 . 1 1 68 68 SER HA H 254 4.154 4.154 4.179 -0.025 17911 8202 1 15 . 1 1 68 68 SER CA C 254 60.705 60.705 60.942 -0.237 17911 8203 1 15 . 1 1 68 68 SER CB C 254 63.286 63.286 63.221 0.065 17911 8204 1 15 . 1 1 68 68 SER H H 254 7.883 7.883 8.293 -0.410 17911 8205 1 15 . 1 1 69 69 ALA N N 255 123.895 123.895 124.122 -0.227 17911 8206 1 15 . 1 1 69 69 ALA HA H 255 4.078 4.078 4.157 -0.079 17911 8207 1 15 . 1 1 69 69 ALA CA C 255 54.749 54.749 54.413 0.336 17911 8208 1 15 . 1 1 69 69 ALA CB C 255 17.992 17.992 18.225 -0.233 17911 8209 1 15 . 1 1 69 69 ALA H H 255 8.592 8.592 7.870 0.722 17911 8210 1 15 . 1 1 70 70 GLN N N 256 116.528 116.528 117.129 -0.601 17911 8211 1 15 . 1 1 70 70 GLN HA H 256 4.011 4.011 4.102 -0.091 17911 8212 1 15 . 1 1 70 70 GLN CA C 256 58.634 58.634 58.009 0.625 17911 8213 1 15 . 1 1 70 70 GLN CB C 256 28.939 28.939 28.971 -0.032 17911 8214 1 15 . 1 1 70 70 GLN H H 256 7.744 7.744 8.198 -0.454 17911 8215 1 15 . 1 1 71 71 THR N N 257 103.056 103.056 109.161 -6.105 17911 8216 1 15 . 1 1 71 71 THR HA H 257 4.277 4.277 4.395 -0.118 17911 8217 1 15 . 1 1 71 71 THR CA C 257 62.236 62.236 62.134 0.102 17911 8218 1 15 . 1 1 71 71 THR CB C 257 72.277 72.277 69.969 2.308 17911 8219 1 15 . 1 1 71 71 THR H H 257 7.401 7.401 7.917 -0.516 17911 8220 1 15 . 1 1 72 72 GLY N N 258 111.697 111.697 110.843 0.854 17911 8221 1 15 . 1 1 72 72 GLY CA C 258 45.900 45.900 45.587 0.313 17911 8222 1 15 . 1 1 72 72 GLY H H 258 8.113 8.113 7.823 0.290 17911 8223 1 15 . 1 1 73 73 ILE N N 259 120.078 120.078 121.759 -1.681 17911 8224 1 15 . 1 1 73 73 ILE HA H 259 4.451 4.451 4.299 0.152 17911 8225 1 15 . 1 1 73 73 ILE CA C 259 58.903 58.903 60.293 -1.390 17911 8226 1 15 . 1 1 73 73 ILE CB C 259 38.497 38.497 39.955 -1.458 17911 8227 1 15 . 1 1 73 73 ILE H H 259 7.598 7.598 7.805 -0.207 17911 8228 1 15 . 1 1 74 74 ALA N N 260 107.454 107.454 130.423 -22.969 17911 8229 1 15 . 1 1 74 74 ALA HA H 260 4.178 4.178 4.319 -0.141 17911 8230 1 15 . 1 1 74 74 ALA CA C 260 52.622 52.622 52.477 0.145 17911 8231 1 15 . 1 1 74 74 ALA CB C 260 18.417 18.417 19.473 -1.056 17911 8232 1 15 . 1 1 74 74 ALA H H 260 9.477 9.477 8.728 0.749 17911 8233 1 15 . 1 1 75 75 VAL N N 261 124.569 124.569 123.113 1.456 17911 8234 1 15 . 1 1 75 75 VAL HA H 261 4.095 4.095 3.885 0.210 17911 8235 1 15 . 1 1 75 75 VAL CA C 261 66.637 66.637 66.130 0.507 17911 8236 1 15 . 1 1 75 75 VAL CB C 261 31.575 31.575 31.706 -0.131 17911 8237 1 15 . 1 1 75 75 VAL H H 261 8.927 8.927 8.868 0.059 17911 8238 1 15 . 1 1 76 76 LEU N N 262 117.285 117.285 118.233 -0.948 17911 8239 1 15 . 1 1 76 76 LEU HA H 262 3.827 3.827 3.993 -0.166 17911 8240 1 15 . 1 1 76 76 LEU CA C 262 58.067 58.067 57.273 0.794 17911 8241 1 15 . 1 1 76 76 LEU CB C 262 39.774 39.774 40.928 -1.154 17911 8242 1 15 . 1 1 76 76 LEU H H 262 8.949 8.949 8.111 0.838 17911 8243 1 15 . 1 1 77 77 ASP N N 263 120.854 120.854 120.937 -0.083 17911 8244 1 15 . 1 1 77 77 ASP HA H 263 4.639 4.639 4.462 0.177 17911 8245 1 15 . 1 1 77 77 ASP CA C 263 57.131 57.131 57.072 0.059 17911 8246 1 15 . 1 1 77 77 ASP CB C 263 39.178 39.178 41.503 -2.325 17911 8247 1 15 . 1 1 77 77 ASP H H 263 7.011 7.011 7.924 -0.913 17911 8248 1 15 . 1 1 78 78 MET N N 264 124.661 124.661 121.173 3.488 17911 8249 1 15 . 1 1 78 78 MET HA H 264 4.343 4.343 4.107 0.236 17911 8250 1 15 . 1 1 78 78 MET CA C 264 57.131 57.131 57.572 -0.441 17911 8251 1 15 . 1 1 78 78 MET CB C 264 31.172 31.172 31.921 -0.748 17911 8252 1 15 . 1 1 78 78 MET H H 264 8.025 8.025 7.888 0.137 17911 8253 1 15 . 1 1 79 79 CYS N N 265 117.740 117.740 117.641 0.099 17911 8254 1 15 . 1 1 79 79 CYS HA H 265 3.534 3.534 3.606 -0.072 17911 8255 1 15 . 1 1 79 79 CYS CA C 265 64.317 64.317 63.704 0.613 17911 8256 1 15 . 1 1 79 79 CYS CB C 265 25.564 25.564 26.470 -0.906 17911 8257 1 15 . 1 1 79 79 CYS H H 265 8.703 8.703 8.632 0.071 17911 8258 1 15 . 1 1 80 80 ALA N N 266 123.346 123.346 121.702 1.644 17911 8259 1 15 . 1 1 80 80 ALA HA H 266 3.884 3.884 4.030 -0.146 17911 8260 1 15 . 1 1 80 80 ALA CA C 266 55.174 55.174 54.903 0.271 17911 8261 1 15 . 1 1 80 80 ALA CB C 266 17.911 17.911 18.061 -0.150 17911 8262 1 15 . 1 1 80 80 ALA H H 266 7.745 7.745 7.717 0.028 17911 8263 1 15 . 1 1 81 81 ALA N N 267 122.668 122.668 122.431 0.237 17911 8264 1 15 . 1 1 81 81 ALA HA H 267 4.236 4.236 4.174 0.062 17911 8265 1 15 . 1 1 81 81 ALA CA C 267 54.778 54.778 54.861 -0.083 17911 8266 1 15 . 1 1 81 81 ALA CB C 267 18.247 18.247 18.684 -0.437 17911 8267 1 15 . 1 1 81 81 ALA H H 267 7.513 7.513 8.175 -0.662 17911 8268 1 15 . 1 1 82 82 LEU N N 268 119.844 119.844 120.667 -0.823 17911 8269 1 15 . 1 1 82 82 LEU HA H 268 3.924 3.924 3.974 -0.050 17911 8270 1 15 . 1 1 82 82 LEU CA C 268 57.613 57.613 57.575 0.038 17911 8271 1 15 . 1 1 82 82 LEU CB C 268 40.681 40.681 41.412 -0.731 17911 8272 1 15 . 1 1 82 82 LEU H H 268 8.304 8.304 8.477 -0.173 17911 8273 1 15 . 1 1 83 83 LYS N N 269 119.140 119.140 119.455 -0.315 17911 8274 1 15 . 1 1 83 83 LYS HA H 269 3.629 3.629 3.881 -0.252 17911 8275 1 15 . 1 1 83 83 LYS CA C 269 60.279 60.279 60.178 0.101 17911 8276 1 15 . 1 1 83 83 LYS CB C 269 33.052 33.052 32.385 0.667 17911 8277 1 15 . 1 1 83 83 LYS H H 269 8.881 8.881 8.641 0.240 17911 8278 1 15 . 1 1 84 84 GLU N N 270 116.647 116.647 119.727 -3.080 17911 8279 1 15 . 1 1 84 84 GLU HA H 270 4.085 4.085 4.116 -0.031 17911 8280 1 15 . 1 1 84 84 GLU CA C 270 58.903 58.903 59.281 -0.378 17911 8281 1 15 . 1 1 84 84 GLU CB C 270 29.223 29.223 29.786 -0.563 17911 8282 1 15 . 1 1 84 84 GLU H H 270 7.107 7.107 7.703 -0.596 17911 8283 1 15 . 1 1 85 85 LEU N N 271 120.657 120.657 120.171 0.486 17911 8284 1 15 . 1 1 85 85 LEU HA H 271 3.992 3.992 4.241 -0.249 17911 8285 1 15 . 1 1 85 85 LEU CA C 271 57.872 57.872 57.654 0.218 17911 8286 1 15 . 1 1 85 85 LEU CB C 271 42.326 42.326 41.880 0.446 17911 8287 1 15 . 1 1 85 85 LEU H H 271 7.757 7.757 8.209 -0.452 17911 8288 1 15 . 1 1 86 86 LEU N N 272 119.651 119.651 118.956 0.695 17911 8289 1 15 . 1 1 86 86 LEU HA H 272 3.535 3.535 3.831 -0.296 17911 8290 1 15 . 1 1 86 86 LEU CA C 272 57.356 57.356 57.291 0.065 17911 8291 1 15 . 1 1 86 86 LEU CB C 272 40.880 40.880 41.664 -0.784 17911 8292 1 15 . 1 1 86 86 LEU H H 272 8.336 8.336 8.490 -0.154 17911 8293 1 15 . 1 1 87 87 GLN N N 273 113.087 113.087 115.173 -2.086 17911 8294 1 15 . 1 1 87 87 GLN HA H 273 4.099 4.099 4.037 0.062 17911 8295 1 15 . 1 1 87 87 GLN CA C 273 58.387 58.387 56.938 1.449 17911 8296 1 15 . 1 1 87 87 GLN CB C 273 30.159 30.159 30.038 0.121 17911 8297 1 15 . 1 1 87 87 GLN H H 273 7.422 7.422 7.577 -0.155 17911 8298 1 15 . 1 1 88 88 ASN N N 274 113.925 113.925 114.468 -0.543 17911 8299 1 15 . 1 1 88 88 ASN HA H 274 4.921 4.921 4.779 0.142 17911 8300 1 15 . 1 1 88 88 ASN CA C 274 53.747 53.747 52.974 0.773 17911 8301 1 15 . 1 1 88 88 ASN CB C 274 40.625 40.625 41.383 -0.758 17911 8302 1 15 . 1 1 88 88 ASN H H 274 8.388 8.388 7.793 0.595 17911 8303 1 15 . 1 1 89 89 GLY N N 275 109.040 109.040 109.881 -0.841 17911 8304 1 15 . 1 1 89 89 GLY CA C 275 44.709 44.709 45.234 -0.525 17911 8305 1 15 . 1 1 89 89 GLY H H 275 7.698 7.698 8.176 -0.478 17911 8306 1 15 . 1 1 90 90 MET N N 276 115.183 115.183 116.659 -1.476 17911 8307 1 15 . 1 1 90 90 MET HA H 276 4.434 4.434 4.846 -0.412 17911 8308 1 15 . 1 1 90 90 MET CA C 276 56.791 56.791 54.288 2.503 17911 8309 1 15 . 1 1 90 90 MET CB C 276 33.637 33.637 32.629 1.008 17911 8310 1 15 . 1 1 90 90 MET H H 276 8.599 8.599 8.570 0.029 17911 8311 1 15 . 1 1 91 91 ASN N N 277 118.020 118.020 120.874 -2.854 17911 8312 1 15 . 1 1 91 91 ASN HA H 277 4.301 4.301 4.441 -0.140 17911 8313 1 15 . 1 1 91 91 ASN CA C 277 53.983 53.983 55.066 -1.083 17911 8314 1 15 . 1 1 91 91 ASN CB C 277 37.987 37.987 38.291 -0.305 17911 8315 1 15 . 1 1 91 91 ASN H H 277 9.033 9.033 8.203 0.830 17911 8316 1 15 . 1 1 92 92 GLY N N 278 104.906 104.906 110.264 -5.358 17911 8317 1 15 . 1 1 92 92 GLY CA C 278 45.645 45.645 44.891 0.754 17911 8318 1 15 . 1 1 92 92 GLY H H 278 8.538 8.538 8.526 0.012 17911 8319 1 15 . 1 1 93 93 ARG N N 279 120.056 120.056 120.298 -0.242 17911 8320 1 15 . 1 1 93 93 ARG HA H 279 4.237 4.237 4.776 -0.539 17911 8321 1 15 . 1 1 93 93 ARG CA C 279 55.344 55.344 53.730 1.614 17911 8322 1 15 . 1 1 93 93 ARG CB C 279 31.491 31.491 32.690 -1.199 17911 8323 1 15 . 1 1 93 93 ARG H H 279 7.257 7.257 7.613 -0.356 17911 8324 1 15 . 1 1 94 94 THR N N 280 106.223 106.223 110.961 -4.738 17911 8325 1 15 . 1 1 94 94 THR HA H 280 5.028 5.028 5.265 -0.237 17911 8326 1 15 . 1 1 94 94 THR CA C 280 59.684 59.684 60.639 -0.955 17911 8327 1 15 . 1 1 94 94 THR CB C 280 72.787 72.787 71.986 0.801 17911 8328 1 15 . 1 1 94 94 THR H H 280 7.726 7.726 8.371 -0.645 17911 8329 1 15 . 1 1 95 95 ILE N N 281 121.214 121.214 120.850 0.364 17911 8330 1 15 . 1 1 95 95 ILE HA H 281 4.301 4.301 4.600 -0.299 17911 8331 1 15 . 1 1 95 95 ILE CA C 281 62.066 62.066 60.706 1.360 17911 8332 1 15 . 1 1 95 95 ILE CB C 281 40.539 40.539 41.984 -1.445 17911 8333 1 15 . 1 1 95 95 ILE H H 281 8.761 8.761 8.921 -0.160 17911 8334 1 15 . 1 1 96 96 LEU N N 282 128.347 128.347 125.028 3.319 17911 8335 1 15 . 1 1 96 96 LEU HA H 282 3.850 3.850 3.866 -0.016 17911 8336 1 15 . 1 1 96 96 LEU CA C 282 55.344 55.344 55.398 -0.054 17911 8337 1 15 . 1 1 96 96 LEU CB C 282 40.539 40.539 39.829 0.710 17911 8338 1 15 . 1 1 96 96 LEU H H 282 9.905 9.905 8.979 0.926 17911 8339 1 15 . 1 1 97 97 GLY N N 283 103.322 103.322 103.411 -0.089 17911 8340 1 15 . 1 1 97 97 GLY CA C 283 45.645 45.645 44.661 0.984 17911 8341 1 15 . 1 1 97 97 GLY H H 283 8.937 8.937 8.457 0.480 17911 8342 1 15 . 1 1 98 98 SER N N 284 116.619 116.619 115.706 0.913 17911 8343 1 15 . 1 1 98 98 SER HA H 284 4.950 4.950 4.985 -0.035 17911 8344 1 15 . 1 1 98 98 SER CA C 284 56.961 56.961 55.933 1.028 17911 8345 1 15 . 1 1 98 98 SER CB C 284 65.044 65.044 64.702 0.342 17911 8346 1 15 . 1 1 98 98 SER H H 284 8.612 8.612 8.043 0.569 17911 8347 1 15 . 1 1 99 99 THR N N 285 114.513 114.513 117.408 -2.895 17911 8348 1 15 . 1 1 99 99 THR HA H 285 4.598 4.598 4.375 0.223 17911 8349 1 15 . 1 1 99 99 THR CA C 285 61.739 61.739 62.969 -1.230 17911 8350 1 15 . 1 1 99 99 THR CB C 285 69.214 69.214 68.758 0.456 17911 8351 1 15 . 1 1 99 99 THR H H 285 8.601 8.601 8.730 -0.129 17911 8352 1 15 . 1 1 100 100 ILE N N 286 117.511 117.511 115.291 2.220 17911 8353 1 15 . 1 1 100 100 ILE HA H 286 4.496 4.496 4.688 -0.192 17911 8354 1 15 . 1 1 100 100 ILE CA C 286 59.173 59.173 59.211 -0.038 17911 8355 1 15 . 1 1 100 100 ILE CB C 286 41.887 41.887 40.682 1.205 17911 8356 1 15 . 1 1 100 100 ILE H H 286 7.931 7.931 7.448 0.483 17911 8357 1 15 . 1 1 101 101 LEU N N 287 121.101 121.101 116.302 4.799 17911 8358 1 15 . 1 1 101 101 LEU HA H 287 4.157 4.157 4.597 -0.440 17911 8359 1 15 . 1 1 101 101 LEU CA C 287 54.520 54.520 53.306 1.214 17911 8360 1 15 . 1 1 101 101 LEU CB C 287 40.083 40.083 44.359 -4.276 17911 8361 1 15 . 1 1 101 101 LEU H H 287 8.025 8.025 8.151 -0.126 17911 8362 1 15 . 1 1 102 102 GLU HA H 288 3.720 3.720 4.297 -0.577 17911 8363 1 15 . 1 1 102 102 GLU CA C 288 55.770 55.770 54.285 1.485 17911 8364 1 15 . 1 1 102 102 GLU CB C 288 29.904 29.904 32.630 -2.725 17911 8365 1 15 . 1 1 103 103 ASP N N 289 121.287 121.287 118.581 2.706 17911 8366 1 15 . 1 1 103 103 ASP HA H 289 4.513 4.513 4.573 -0.060 17911 8367 1 15 . 1 1 103 103 ASP CA C 289 52.281 52.281 53.406 -1.125 17911 8368 1 15 . 1 1 103 103 ASP CB C 289 42.922 42.922 40.828 2.094 17911 8369 1 15 . 1 1 103 103 ASP H H 289 8.014 8.014 8.421 -0.407 17911 8370 1 15 . 1 1 104 104 GLU N N 290 118.245 118.245 118.631 -0.386 17911 8371 1 15 . 1 1 104 104 GLU HA H 290 3.904 3.904 4.050 -0.146 17911 8372 1 15 . 1 1 104 104 GLU CA C 290 57.614 57.614 57.702 -0.088 17911 8373 1 15 . 1 1 104 104 GLU CB C 290 30.499 30.499 29.557 0.942 17911 8374 1 15 . 1 1 104 104 GLU H H 290 7.432 7.432 8.509 -1.077 17911 8375 1 15 . 1 1 105 105 PHE N N 291 120.606 120.606 118.168 2.438 17911 8376 1 15 . 1 1 105 105 PHE HA H 291 4.838 4.838 4.752 0.086 17911 8377 1 15 . 1 1 105 105 PHE CA C 291 56.536 56.536 56.230 0.306 17911 8378 1 15 . 1 1 105 105 PHE CB C 291 39.774 39.774 41.327 -1.552 17911 8379 1 15 . 1 1 105 105 PHE H H 291 8.835 8.835 7.525 1.310 17911 8380 1 15 . 1 1 106 106 THR N N 292 111.349 111.349 113.684 -2.335 17911 8381 1 15 . 1 1 106 106 THR HA H 292 4.670 4.670 4.902 -0.232 17911 8382 1 15 . 1 1 106 106 THR CA C 292 59.344 59.344 58.239 1.105 17911 8383 1 15 . 1 1 106 106 THR CB C 292 69.299 69.299 68.780 0.519 17911 8384 1 15 . 1 1 106 106 THR H H 292 8.757 8.757 8.421 0.336 17911 8385 1 15 . 1 1 107 107 PRO HA H 293 3.988 3.988 4.327 -0.339 17911 8386 1 15 . 1 1 107 107 PRO CA C 293 65.606 65.606 64.703 0.903 17911 8387 1 15 . 1 1 107 107 PRO CB C 293 31.321 31.321 31.579 -0.258 17911 8388 1 15 . 1 1 108 108 PHE N N 294 114.627 114.627 114.655 -0.028 17911 8389 1 15 . 1 1 108 108 PHE HA H 294 4.201 4.201 4.380 -0.179 17911 8390 1 15 . 1 1 108 108 PHE CA C 294 59.676 59.676 57.772 1.904 17911 8391 1 15 . 1 1 108 108 PHE CB C 294 38.582 38.582 37.358 1.224 17911 8392 1 15 . 1 1 108 108 PHE H H 294 7.310 7.310 8.031 -0.721 17911 8393 1 15 . 1 1 109 109 ASP N N 295 120.210 120.210 119.803 0.407 17911 8394 1 15 . 1 1 109 109 ASP HA H 295 4.404 4.404 4.646 -0.241 17911 8395 1 15 . 1 1 109 109 ASP CA C 295 57.098 57.098 55.929 1.169 17911 8396 1 15 . 1 1 109 109 ASP CB C 295 41.475 41.475 41.715 -0.240 17911 8397 1 15 . 1 1 109 109 ASP H H 295 7.837 7.837 7.580 0.257 17911 8398 1 15 . 1 1 110 110 VAL N N 296 119.070 119.070 113.088 5.982 17911 8399 1 15 . 1 1 110 110 VAL HA H 296 3.602 3.602 4.538 -0.936 17911 8400 1 15 . 1 1 110 110 VAL CA C 296 66.491 66.491 60.732 5.759 17911 8401 1 15 . 1 1 110 110 VAL CB C 296 31.605 31.605 31.944 -0.339 17911 8402 1 15 . 1 1 110 110 VAL H H 296 7.945 7.945 7.605 0.340 17911 8403 1 15 . 1 1 111 111 VAL N N 297 119.540 119.540 116.865 2.675 17911 8404 1 15 . 1 1 111 111 VAL HA H 297 3.601 3.601 4.125 -0.524 17911 8405 1 15 . 1 1 111 111 VAL CA C 297 66.379 66.379 61.944 4.435 17911 8406 1 15 . 1 1 111 111 VAL CB C 297 31.605 31.605 32.066 -0.461 17911 8407 1 15 . 1 1 111 111 VAL H H 297 8.109 8.109 7.588 0.521 17911 8408 1 15 . 1 1 112 112 ARG N N 298 119.680 119.680 119.825 -0.145 17911 8409 1 15 . 1 1 112 112 ARG HA H 298 4.010 4.010 4.186 -0.176 17911 8410 1 15 . 1 1 112 112 ARG CA C 298 58.634 58.634 56.309 2.325 17911 8411 1 15 . 1 1 112 112 ARG CB C 298 30.028 30.028 30.669 -0.641 17911 8412 1 15 . 1 1 112 112 ARG H H 298 7.710 7.710 7.630 0.080 17911 8413 1 15 . 1 1 113 113 GLN N N 299 117.786 117.786 118.398 -0.612 17911 8414 1 15 . 1 1 113 113 GLN HA H 299 4.158 4.158 4.084 0.074 17911 8415 1 15 . 1 1 113 113 GLN CA C 299 57.557 57.557 57.539 0.018 17911 8416 1 15 . 1 1 113 113 GLN CB C 299 29.308 29.308 28.757 0.551 17911 8417 1 15 . 1 1 113 113 GLN H H 299 8.033 8.033 8.567 -0.534 17911 8418 1 15 . 1 1 114 114 CYS N N 300 115.786 115.786 117.106 -1.320 17911 8419 1 15 . 1 1 114 114 CYS HA H 300 4.470 4.470 4.784 -0.314 17911 8420 1 15 . 1 1 114 114 CYS CA C 300 59.934 59.934 56.131 3.803 17911 8421 1 15 . 1 1 114 114 CYS CB C 300 28.293 28.293 30.317 -2.024 17911 8422 1 15 . 1 1 114 114 CYS H H 300 8.071 8.071 7.870 0.201 17911 8423 1 15 . 1 1 115 115 SER N N 301 116.258 116.258 118.017 -1.759 17911 8424 1 15 . 1 1 115 115 SER HA H 301 4.407 4.407 4.338 0.069 17911 8425 1 15 . 1 1 115 115 SER CA C 301 59.485 59.485 59.285 0.200 17911 8426 1 15 . 1 1 115 115 SER CB C 301 63.286 63.286 63.767 -0.481 17911 8427 1 15 . 1 1 115 115 SER H H 301 7.883 7.883 8.660 -0.777 17911 8428 1 15 . 1 1 116 116 GLY N N 302 110.709 110.709 113.658 -2.949 17911 8429 1 15 . 1 1 116 116 GLY CA C 302 45.239 45.239 47.592 -2.353 17911 8430 1 15 . 1 1 116 116 GLY H H 302 8.355 8.355 9.284 -0.929 17911 8431 1 15 . 1 1 117 117 VAL N N 303 119.189 119.189 118.996 0.193 17911 8432 1 15 . 1 1 117 117 VAL HA H 303 4.057 4.057 3.893 0.164 17911 8433 1 15 . 1 1 117 117 VAL CA C 303 62.236 62.236 65.014 -2.778 17911 8434 1 15 . 1 1 117 117 VAL CB C 303 32.626 32.626 30.866 1.760 17911 8435 1 15 . 1 1 117 117 VAL H H 303 7.710 7.710 7.978 -0.268 17911 8436 1 15 . 1 1 118 118 THR N N 304 118.009 118.009 112.921 5.088 17911 8437 1 15 . 1 1 118 118 THR HA H 304 4.279 4.279 4.070 0.209 17911 8438 1 15 . 1 1 118 118 THR CA C 304 61.556 61.556 63.830 -2.274 17911 8439 1 15 . 1 1 118 118 THR CB C 304 69.894 69.894 69.475 0.419 17911 8440 1 15 . 1 1 118 118 THR H H 304 8.109 8.109 8.037 0.072 17911 8441 1 15 . 1 1 119 119 PHE N N 305 123.287 123.287 119.629 3.658 17911 8442 1 15 . 1 1 119 119 PHE HA H 305 4.605 4.605 4.721 -0.116 17911 8443 1 15 . 1 1 119 119 PHE CA C 305 57.727 57.727 58.413 -0.687 17911 8444 1 15 . 1 1 119 119 PHE CB C 305 39.859 39.859 40.916 -1.057 17911 8445 1 15 . 1 1 119 119 PHE H H 305 8.298 8.298 7.938 0.360 17911 8446 1 16 . 1 1 2 2 ARG N N 188 121.886 121.886 121.790 0.096 17911 8447 1 16 . 1 1 2 2 ARG HA H 188 4.242 4.242 4.085 0.157 17911 8448 1 16 . 1 1 2 2 ARG CA C 188 56.487 56.487 58.772 -2.285 17911 8449 1 16 . 1 1 2 2 ARG CB C 188 30.857 30.857 30.406 0.451 17911 8450 1 16 . 1 1 2 2 ARG H H 188 8.475 8.475 8.653 -0.178 17911 8451 1 16 . 1 1 3 3 GLN N N 189 121.336 121.336 116.842 4.494 17911 8452 1 16 . 1 1 3 3 GLN HA H 189 4.302 4.302 4.215 0.087 17911 8453 1 16 . 1 1 3 3 GLN CA C 189 56.366 56.366 57.775 -1.409 17911 8454 1 16 . 1 1 3 3 GLN CB C 189 29.254 29.254 29.308 -0.054 17911 8455 1 16 . 1 1 3 3 GLN H H 189 8.553 8.553 8.502 0.051 17911 8456 1 16 . 1 1 4 4 THR N N 190 115.273 115.273 106.871 8.402 17911 8457 1 16 . 1 1 4 4 THR HA H 190 4.275 4.275 4.457 -0.182 17911 8458 1 16 . 1 1 4 4 THR CA C 190 62.066 62.066 61.408 0.658 17911 8459 1 16 . 1 1 4 4 THR CB C 190 69.894 69.894 70.246 -0.352 17911 8460 1 16 . 1 1 4 4 THR H H 190 8.123 8.123 7.744 0.379 17911 8461 1 16 . 1 1 5 5 ALA N N 191 126.029 126.029 125.075 0.954 17911 8462 1 16 . 1 1 5 5 ALA HA H 191 4.247 4.247 4.259 -0.012 17911 8463 1 16 . 1 1 5 5 ALA CA C 191 52.537 52.537 53.028 -0.491 17911 8464 1 16 . 1 1 5 5 ALA CB C 191 19.183 19.183 19.359 -0.176 17911 8465 1 16 . 1 1 5 5 ALA H H 191 8.284 8.284 8.041 0.243 17911 8466 1 16 . 1 1 6 6 GLN N N 192 119.614 119.614 119.754 -0.140 17911 8467 1 16 . 1 1 6 6 GLN HA H 192 4.217 4.217 4.498 -0.281 17911 8468 1 16 . 1 1 6 6 GLN CA C 192 55.685 55.685 54.462 1.224 17911 8469 1 16 . 1 1 6 6 GLN CB C 192 29.513 29.513 30.442 -0.929 17911 8470 1 16 . 1 1 6 6 GLN H H 192 8.287 8.287 8.471 -0.184 17911 8471 1 16 . 1 1 7 7 ALA N N 193 125.571 125.571 124.023 1.548 17911 8472 1 16 . 1 1 7 7 ALA HA H 193 4.246 4.246 4.084 0.162 17911 8473 1 16 . 1 1 7 7 ALA CA C 193 52.537 52.537 54.447 -1.909 17911 8474 1 16 . 1 1 7 7 ALA CB C 193 19.268 19.268 18.399 0.869 17911 8475 1 16 . 1 1 7 7 ALA H H 193 8.271 8.271 8.722 -0.451 17911 8476 1 16 . 1 1 8 8 ALA N N 194 123.461 123.461 121.775 1.686 17911 8477 1 16 . 1 1 8 8 ALA HA H 194 4.250 4.250 4.113 0.137 17911 8478 1 16 . 1 1 8 8 ALA CA C 194 52.593 52.593 53.978 -1.385 17911 8479 1 16 . 1 1 8 8 ALA CB C 194 19.324 19.324 18.210 1.114 17911 8480 1 16 . 1 1 8 8 ALA H H 194 8.275 8.275 8.344 -0.069 17911 8481 1 16 . 1 1 9 9 GLY N N 195 108.312 108.312 106.371 1.941 17911 8482 1 16 . 1 1 9 9 GLY CA C 195 45.219 45.219 46.497 -1.278 17911 8483 1 16 . 1 1 9 9 GLY H H 195 8.328 8.328 8.205 0.123 17911 8484 1 16 . 1 1 10 10 THR N N 196 112.710 112.710 115.695 -2.985 17911 8485 1 16 . 1 1 10 10 THR HA H 196 4.334 4.334 4.593 -0.259 17911 8486 1 16 . 1 1 10 10 THR CA C 196 61.471 61.471 61.148 0.323 17911 8487 1 16 . 1 1 10 10 THR CB C 196 69.894 69.894 69.374 0.520 17911 8488 1 16 . 1 1 10 10 THR H H 196 7.998 7.998 7.525 0.473 17911 8489 1 16 . 1 1 11 11 ASP N N 197 122.862 122.862 121.384 1.478 17911 8490 1 16 . 1 1 11 11 ASP HA H 197 4.609 4.609 4.435 0.174 17911 8491 1 16 . 1 1 11 11 ASP CA C 197 54.262 54.262 55.395 -1.133 17911 8492 1 16 . 1 1 11 11 ASP CB C 197 41.135 41.135 40.522 0.613 17911 8493 1 16 . 1 1 11 11 ASP H H 197 8.404 8.404 7.941 0.463 17911 8494 1 16 . 1 1 12 12 THR N N 198 114.709 114.709 113.666 1.043 17911 8495 1 16 . 1 1 12 12 THR HA H 198 4.400 4.400 4.486 -0.086 17911 8496 1 16 . 1 1 12 12 THR CA C 198 61.223 61.223 62.148 -0.925 17911 8497 1 16 . 1 1 12 12 THR CB C 198 70.490 70.490 69.364 1.126 17911 8498 1 16 . 1 1 12 12 THR H H 198 7.895 7.895 7.561 0.334 17911 8499 1 16 . 1 1 13 13 THR N N 199 122.785 122.785 120.533 2.252 17911 8500 1 16 . 1 1 13 13 THR HA H 199 3.961 3.961 4.439 -0.478 17911 8501 1 16 . 1 1 13 13 THR CA C 199 63.286 63.286 62.158 1.128 17911 8502 1 16 . 1 1 13 13 THR CB C 199 68.958 68.958 69.395 -0.437 17911 8503 1 16 . 1 1 13 13 THR H H 199 8.354 8.354 8.384 -0.030 17911 8504 1 16 . 1 1 14 14 ILE N N 200 127.902 127.902 130.155 -2.253 17911 8505 1 16 . 1 1 14 14 ILE HA H 200 3.807 3.807 4.165 -0.358 17911 8506 1 16 . 1 1 14 14 ILE CA C 200 60.965 60.965 61.710 -0.745 17911 8507 1 16 . 1 1 14 14 ILE CB C 200 35.860 35.860 35.662 0.198 17911 8508 1 16 . 1 1 14 14 ILE H H 200 9.362 9.362 9.262 0.100 17911 8509 1 16 . 1 1 15 15 THR N N 201 130.379 130.379 122.505 7.874 17911 8510 1 16 . 1 1 15 15 THR HA H 201 3.521 3.521 4.072 -0.551 17911 8511 1 16 . 1 1 15 15 THR CA C 201 66.637 66.637 67.046 -0.409 17911 8512 1 16 . 1 1 15 15 THR CB C 201 67.411 67.411 68.639 -1.228 17911 8513 1 16 . 1 1 15 15 THR H H 201 7.834 7.834 8.126 -0.292 17911 8514 1 16 . 1 1 16 16 LEU N N 202 120.049 120.049 121.574 -1.525 17911 8515 1 16 . 1 1 16 16 LEU HA H 202 3.715 3.715 4.114 -0.399 17911 8516 1 16 . 1 1 16 16 LEU CA C 202 58.387 58.387 58.725 -0.338 17911 8517 1 16 . 1 1 16 16 LEU CB C 202 43.148 43.148 41.743 1.405 17911 8518 1 16 . 1 1 16 16 LEU H H 202 8.913 8.913 8.653 0.260 17911 8519 1 16 . 1 1 17 17 ASN N N 203 117.390 117.390 117.342 0.048 17911 8520 1 16 . 1 1 17 17 ASN HA H 203 4.594 4.594 4.869 -0.275 17911 8521 1 16 . 1 1 17 17 ASN CA C 203 54.520 54.520 55.546 -1.026 17911 8522 1 16 . 1 1 17 17 ASN CB C 203 37.246 37.246 38.323 -1.077 17911 8523 1 16 . 1 1 17 17 ASN H H 203 6.926 6.926 7.984 -1.058 17911 8524 1 16 . 1 1 18 18 VAL N N 204 123.434 123.434 122.761 0.673 17911 8525 1 16 . 1 1 18 18 VAL HA H 204 4.242 4.242 4.009 0.233 17911 8526 1 16 . 1 1 18 18 VAL CA C 204 66.236 66.236 66.761 -0.525 17911 8527 1 16 . 1 1 18 18 VAL CB C 204 31.605 31.605 31.921 -0.316 17911 8528 1 16 . 1 1 18 18 VAL H H 204 7.660 7.660 7.856 -0.196 17911 8529 1 16 . 1 1 19 19 LEU N N 205 117.301 117.301 119.949 -2.648 17911 8530 1 16 . 1 1 19 19 LEU HA H 205 3.945 3.945 3.972 -0.027 17911 8531 1 16 . 1 1 19 19 LEU CA C 205 58.408 58.408 58.274 0.134 17911 8532 1 16 . 1 1 19 19 LEU CB C 205 42.918 42.918 41.268 1.650 17911 8533 1 16 . 1 1 19 19 LEU H H 205 8.573 8.573 8.613 -0.040 17911 8534 1 16 . 1 1 20 20 ALA N N 206 120.290 120.290 122.091 -1.801 17911 8535 1 16 . 1 1 20 20 ALA HA H 206 4.012 4.012 4.244 -0.232 17911 8536 1 16 . 1 1 20 20 ALA CA C 206 56.195 56.195 55.272 0.923 17911 8537 1 16 . 1 1 20 20 ALA CB C 206 17.911 17.911 18.237 -0.326 17911 8538 1 16 . 1 1 20 20 ALA H H 206 8.188 8.188 8.336 -0.148 17911 8539 1 16 . 1 1 21 21 TRP N N 207 121.219 121.219 120.582 0.637 17911 8540 1 16 . 1 1 21 21 TRP HA H 207 4.110 4.110 4.383 -0.273 17911 8541 1 16 . 1 1 21 21 TRP CA C 207 61.224 61.224 62.141 -0.917 17911 8542 1 16 . 1 1 21 21 TRP CB C 207 28.712 28.712 29.791 -1.079 17911 8543 1 16 . 1 1 21 21 TRP H H 207 8.406 8.406 8.529 -0.123 17911 8544 1 16 . 1 1 22 22 LEU HA H 208 3.517 3.517 3.814 -0.297 17911 8545 1 16 . 1 1 22 22 LEU CA C 208 57.897 57.897 58.031 -0.134 17911 8546 1 16 . 1 1 22 22 LEU CB C 208 40.880 40.880 41.069 -0.189 17911 8547 1 16 . 1 1 22 22 LEU H H 208 8.620 8.620 8.944 -0.324 17911 8548 1 16 . 1 1 23 23 TYR N N 209 117.656 117.656 119.101 -1.445 17911 8549 1 16 . 1 1 23 23 TYR HA H 209 3.956 3.956 4.053 -0.097 17911 8550 1 16 . 1 1 23 23 TYR CA C 209 64.704 64.704 62.044 2.660 17911 8551 1 16 . 1 1 23 23 TYR CB C 209 38.793 38.793 37.547 1.246 17911 8552 1 16 . 1 1 23 23 TYR H H 209 8.368 8.368 8.700 -0.332 17911 8553 1 16 . 1 1 24 24 ALA N N 210 122.658 122.658 121.629 1.029 17911 8554 1 16 . 1 1 24 24 ALA HA H 210 3.837 3.837 3.809 0.028 17911 8555 1 16 . 1 1 24 24 ALA CA C 210 55.036 55.036 54.838 0.198 17911 8556 1 16 . 1 1 24 24 ALA CB C 210 17.311 17.311 17.828 -0.517 17911 8557 1 16 . 1 1 24 24 ALA H H 210 8.461 8.461 8.422 0.039 17911 8558 1 16 . 1 1 25 25 ALA N N 211 123.868 123.868 121.808 2.060 17911 8559 1 16 . 1 1 25 25 ALA HA H 211 3.761 3.761 3.843 -0.082 17911 8560 1 16 . 1 1 25 25 ALA CA C 211 55.551 55.551 54.846 0.704 17911 8561 1 16 . 1 1 25 25 ALA CB C 211 17.992 17.992 18.214 -0.222 17911 8562 1 16 . 1 1 25 25 ALA H H 211 8.564 8.564 7.741 0.823 17911 8563 1 16 . 1 1 26 26 VAL N N 212 119.783 119.783 119.192 0.591 17911 8564 1 16 . 1 1 26 26 VAL HA H 212 3.487 3.487 3.602 -0.115 17911 8565 1 16 . 1 1 26 26 VAL CA C 212 66.576 66.576 66.335 0.241 17911 8566 1 16 . 1 1 26 26 VAL CB C 212 31.575 31.575 31.735 -0.160 17911 8567 1 16 . 1 1 26 26 VAL H H 212 8.008 8.008 8.142 -0.134 17911 8568 1 16 . 1 1 27 27 ILE N N 213 124.428 124.428 117.687 6.741 17911 8569 1 16 . 1 1 27 27 ILE HA H 213 3.559 3.559 3.667 -0.108 17911 8570 1 16 . 1 1 27 27 ILE CA C 213 65.526 65.526 64.456 1.070 17911 8571 1 16 . 1 1 27 27 ILE CB C 213 37.902 37.902 37.848 0.054 17911 8572 1 16 . 1 1 27 27 ILE H H 213 8.576 8.576 8.289 0.287 17911 8573 1 16 . 1 1 28 28 ASN N N 214 116.563 116.563 115.675 0.888 17911 8574 1 16 . 1 1 28 28 ASN HA H 214 4.565 4.565 4.581 -0.016 17911 8575 1 16 . 1 1 28 28 ASN CA C 214 54.579 54.579 55.112 -0.533 17911 8576 1 16 . 1 1 28 28 ASN CB C 214 40.340 40.340 39.879 0.461 17911 8577 1 16 . 1 1 28 28 ASN H H 214 7.714 7.714 8.019 -0.305 17911 8578 1 16 . 1 1 29 29 GLY N N 215 107.004 107.004 107.023 -0.019 17911 8579 1 16 . 1 1 29 29 GLY CA C 215 45.683 45.683 44.850 0.833 17911 8580 1 16 . 1 1 29 29 GLY H H 215 7.861 7.861 8.364 -0.503 17911 8581 1 16 . 1 1 30 30 ASP N N 216 125.780 125.780 124.934 0.846 17911 8582 1 16 . 1 1 30 30 ASP HA H 216 5.019 5.019 4.658 0.361 17911 8583 1 16 . 1 1 30 30 ASP CA C 216 53.643 53.643 55.768 -2.125 17911 8584 1 16 . 1 1 30 30 ASP CB C 216 41.561 41.561 40.880 0.681 17911 8585 1 16 . 1 1 30 30 ASP H H 216 8.560 8.560 8.049 0.511 17911 8586 1 16 . 1 1 31 31 ARG N N 217 115.297 115.297 121.427 -6.130 17911 8587 1 16 . 1 1 31 31 ARG HA H 217 3.711 3.711 3.240 0.471 17911 8588 1 16 . 1 1 31 31 ARG CA C 217 54.520 54.520 55.001 -0.481 17911 8589 1 16 . 1 1 31 31 ARG CB C 217 32.116 32.116 30.443 1.673 17911 8590 1 16 . 1 1 31 31 ARG H H 217 7.984 7.984 7.973 0.011 17911 8591 1 16 . 1 1 32 32 TRP N N 218 119.754 119.754 120.961 -1.207 17911 8592 1 16 . 1 1 32 32 TRP HA H 218 4.120 4.120 4.326 -0.206 17911 8593 1 16 . 1 1 32 32 TRP CA C 218 58.387 58.387 58.635 -0.248 17911 8594 1 16 . 1 1 32 32 TRP CB C 218 28.372 28.372 28.597 -0.225 17911 8595 1 16 . 1 1 32 32 TRP H H 218 7.368 7.368 7.637 -0.269 17911 8596 1 16 . 1 1 33 33 PHE HA H 219 3.919 3.919 4.581 -0.662 17911 8597 1 16 . 1 1 33 33 PHE CA C 219 55.315 55.315 56.891 -1.576 17911 8598 1 16 . 1 1 33 33 PHE CB C 219 37.277 37.277 37.509 -0.232 17911 8599 1 16 . 1 1 34 34 LEU N N 220 122.632 122.632 122.842 -0.210 17911 8600 1 16 . 1 1 34 34 LEU HA H 220 3.931 3.931 3.942 -0.011 17911 8601 1 16 . 1 1 34 34 LEU CA C 220 55.315 55.315 55.046 0.269 17911 8602 1 16 . 1 1 34 34 LEU CB C 220 40.790 40.790 41.892 -1.102 17911 8603 1 16 . 1 1 34 34 LEU H H 220 6.447 6.447 6.948 -0.501 17911 8604 1 16 . 1 1 35 35 ASN N N 221 119.503 119.503 123.159 -3.656 17911 8605 1 16 . 1 1 35 35 ASN HA H 221 4.709 4.709 4.492 0.217 17911 8606 1 16 . 1 1 35 35 ASN CA C 221 52.026 52.026 51.954 0.072 17911 8607 1 16 . 1 1 35 35 ASN CB C 221 40.598 40.598 40.389 0.209 17911 8608 1 16 . 1 1 35 35 ASN H H 221 8.105 8.105 8.249 -0.144 17911 8609 1 16 . 1 1 36 36 ARG N N 222 116.408 116.408 117.069 -0.661 17911 8610 1 16 . 1 1 36 36 ARG HA H 222 4.293 4.293 4.658 -0.365 17911 8611 1 16 . 1 1 36 36 ARG CA C 222 55.600 55.600 54.298 1.302 17911 8612 1 16 . 1 1 36 36 ARG CB C 222 28.997 28.997 29.379 -0.382 17911 8613 1 16 . 1 1 36 36 ARG H H 222 8.099 8.099 8.254 -0.155 17911 8614 1 16 . 1 1 37 37 PHE N N 223 120.398 120.398 119.577 0.821 17911 8615 1 16 . 1 1 37 37 PHE HA H 223 4.813 4.813 4.538 0.275 17911 8616 1 16 . 1 1 37 37 PHE CA C 223 56.081 56.081 57.796 -1.715 17911 8617 1 16 . 1 1 37 37 PHE CB C 223 40.085 40.085 38.441 1.644 17911 8618 1 16 . 1 1 37 37 PHE H H 223 7.842 7.842 7.857 -0.015 17911 8619 1 16 . 1 1 38 38 THR N N 224 112.040 112.040 115.131 -3.091 17911 8620 1 16 . 1 1 38 38 THR HA H 224 4.653 4.653 4.142 0.511 17911 8621 1 16 . 1 1 38 38 THR CA C 224 60.708 60.708 63.957 -3.249 17911 8622 1 16 . 1 1 38 38 THR CB C 224 71.000 71.000 69.359 1.641 17911 8623 1 16 . 1 1 38 38 THR H H 224 8.231 8.231 8.093 0.138 17911 8624 1 16 . 1 1 39 39 THR N N 225 116.627 116.627 112.954 3.673 17911 8625 1 16 . 1 1 39 39 THR HA H 225 4.925 4.925 4.567 0.358 17911 8626 1 16 . 1 1 39 39 THR CA C 225 59.677 59.677 61.179 -1.502 17911 8627 1 16 . 1 1 39 39 THR CB C 225 69.989 69.989 70.845 -0.856 17911 8628 1 16 . 1 1 39 39 THR H H 225 8.107 8.107 8.147 -0.040 17911 8629 1 16 . 1 1 40 40 THR N N 226 111.263 111.263 116.817 -5.554 17911 8630 1 16 . 1 1 40 40 THR HA H 226 4.727 4.727 4.512 0.215 17911 8631 1 16 . 1 1 40 40 THR CA C 226 59.740 59.740 61.353 -1.613 17911 8632 1 16 . 1 1 40 40 THR CB C 226 72.052 72.052 70.400 1.652 17911 8633 1 16 . 1 1 40 40 THR H H 226 8.481 8.481 8.315 0.166 17911 8634 1 16 . 1 1 41 41 LEU N N 227 123.989 123.989 125.086 -1.097 17911 8635 1 16 . 1 1 41 41 LEU HA H 227 3.986 3.986 4.182 -0.196 17911 8636 1 16 . 1 1 41 41 LEU CA C 227 58.903 58.903 58.308 0.595 17911 8637 1 16 . 1 1 41 41 LEU CB C 227 41.561 41.561 42.195 -0.634 17911 8638 1 16 . 1 1 41 41 LEU H H 227 9.259 9.259 8.803 0.456 17911 8639 1 16 . 1 1 42 42 ASN N N 228 115.183 115.183 117.174 -1.991 17911 8640 1 16 . 1 1 42 42 ASN HA H 228 4.435 4.435 4.407 0.028 17911 8641 1 16 . 1 1 42 42 ASN CA C 228 56.961 56.961 57.358 -0.397 17911 8642 1 16 . 1 1 42 42 ASN CB C 228 38.497 38.497 38.165 0.332 17911 8643 1 16 . 1 1 42 42 ASN H H 228 8.598 8.598 8.496 0.102 17911 8644 1 16 . 1 1 43 43 ASP N N 229 118.746 118.746 120.373 -1.627 17911 8645 1 16 . 1 1 43 43 ASP HA H 229 4.367 4.367 4.428 -0.061 17911 8646 1 16 . 1 1 43 43 ASP CA C 229 57.387 57.387 57.293 0.094 17911 8647 1 16 . 1 1 43 43 ASP CB C 229 40.625 40.625 40.934 -0.309 17911 8648 1 16 . 1 1 43 43 ASP H H 229 7.847 7.847 8.007 -0.160 17911 8649 1 16 . 1 1 44 44 PHE N N 230 120.193 120.193 120.884 -0.691 17911 8650 1 16 . 1 1 44 44 PHE HA H 230 3.808 3.808 4.094 -0.286 17911 8651 1 16 . 1 1 44 44 PHE CA C 230 62.747 62.747 61.892 0.855 17911 8652 1 16 . 1 1 44 44 PHE CB C 230 38.753 38.753 39.191 -0.438 17911 8653 1 16 . 1 1 44 44 PHE H H 230 8.547 8.547 8.390 0.157 17911 8654 1 16 . 1 1 45 45 ASN N N 231 118.852 118.852 118.318 0.534 17911 8655 1 16 . 1 1 45 45 ASN HA H 231 4.472 4.472 4.253 0.219 17911 8656 1 16 . 1 1 45 45 ASN CA C 231 55.344 55.344 56.163 -0.820 17911 8657 1 16 . 1 1 45 45 ASN CB C 231 37.391 37.391 38.088 -0.697 17911 8658 1 16 . 1 1 45 45 ASN H H 231 8.727 8.727 8.522 0.205 17911 8659 1 16 . 1 1 46 46 LEU N N 232 120.221 120.221 121.018 -0.797 17911 8660 1 16 . 1 1 46 46 LEU HA H 232 4.065 4.065 3.962 0.103 17911 8661 1 16 . 1 1 46 46 LEU CA C 232 58.152 58.152 58.200 -0.048 17911 8662 1 16 . 1 1 46 46 LEU CB C 232 42.071 42.071 41.858 0.213 17911 8663 1 16 . 1 1 46 46 LEU H H 232 7.516 7.516 8.474 -0.958 17911 8664 1 16 . 1 1 47 47 VAL N N 233 119.649 119.649 118.743 0.906 17911 8665 1 16 . 1 1 47 47 VAL HA H 233 3.604 3.604 3.546 0.058 17911 8666 1 16 . 1 1 47 47 VAL CA C 233 65.864 65.864 65.947 -0.083 17911 8667 1 16 . 1 1 47 47 VAL CB C 233 31.575 31.575 30.843 0.732 17911 8668 1 16 . 1 1 47 47 VAL H H 233 6.987 6.987 8.109 -1.122 17911 8669 1 16 . 1 1 48 48 ALA N N 234 122.056 122.056 122.348 -0.292 17911 8670 1 16 . 1 1 48 48 ALA HA H 234 3.451 3.451 3.820 -0.369 17911 8671 1 16 . 1 1 48 48 ALA CA C 234 55.741 55.741 55.087 0.654 17911 8672 1 16 . 1 1 48 48 ALA CB C 234 16.971 16.971 18.161 -1.190 17911 8673 1 16 . 1 1 48 48 ALA H H 234 8.480 8.480 8.082 0.398 17911 8674 1 16 . 1 1 49 49 MET N N 235 114.180 114.180 117.679 -3.499 17911 8675 1 16 . 1 1 49 49 MET HA H 235 4.272 4.272 4.193 0.079 17911 8676 1 16 . 1 1 49 49 MET CA C 235 59.003 59.003 58.807 0.196 17911 8677 1 16 . 1 1 49 49 MET CB C 235 32.967 32.967 32.516 0.451 17911 8678 1 16 . 1 1 49 49 MET H H 235 7.950 7.950 8.313 -0.363 17911 8679 1 16 . 1 1 50 50 LYS N N 236 120.217 120.217 120.259 -0.042 17911 8680 1 16 . 1 1 50 50 LYS HA H 236 3.945 3.945 3.851 0.094 17911 8681 1 16 . 1 1 50 50 LYS CA C 236 58.378 58.378 58.568 -0.190 17911 8682 1 16 . 1 1 50 50 LYS CB C 236 31.833 31.833 32.340 -0.507 17911 8683 1 16 . 1 1 50 50 LYS H H 236 7.378 7.378 7.848 -0.470 17911 8684 1 16 . 1 1 51 51 TYR N N 237 115.853 115.853 116.587 -0.734 17911 8685 1 16 . 1 1 51 51 TYR HA H 237 4.462 4.462 4.777 -0.315 17911 8686 1 16 . 1 1 51 51 TYR CA C 237 58.293 58.293 56.590 1.703 17911 8687 1 16 . 1 1 51 51 TYR CB C 237 38.668 38.668 37.390 1.278 17911 8688 1 16 . 1 1 51 51 TYR H H 237 7.392 7.392 7.468 -0.076 17911 8689 1 16 . 1 1 52 52 ASN N N 238 115.965 115.965 114.688 1.277 17911 8690 1 16 . 1 1 52 52 ASN HA H 238 4.403 4.403 4.261 0.142 17911 8691 1 16 . 1 1 52 52 ASN CA C 238 54.834 54.834 54.493 0.341 17911 8692 1 16 . 1 1 52 52 ASN CB C 238 36.881 36.881 37.124 -0.243 17911 8693 1 16 . 1 1 52 52 ASN H H 238 7.914 7.914 7.788 0.126 17911 8694 1 16 . 1 1 53 53 TYR N N 239 120.379 120.379 119.949 0.430 17911 8695 1 16 . 1 1 53 53 TYR HA H 239 4.675 4.675 4.682 -0.007 17911 8696 1 16 . 1 1 53 53 TYR CA C 239 57.387 57.387 58.203 -0.816 17911 8697 1 16 . 1 1 53 53 TYR CB C 239 37.788 37.788 38.452 -0.664 17911 8698 1 16 . 1 1 53 53 TYR H H 239 8.341 8.341 8.260 0.081 17911 8699 1 16 . 1 1 54 54 GLU N N 240 122.559 122.559 123.681 -1.122 17911 8700 1 16 . 1 1 54 54 GLU HA H 240 4.317 4.317 4.303 0.014 17911 8701 1 16 . 1 1 54 54 GLU CA C 240 54.579 54.579 55.617 -1.038 17911 8702 1 16 . 1 1 54 54 GLU CB C 240 30.802 30.802 29.638 1.164 17911 8703 1 16 . 1 1 54 54 GLU H H 240 8.114 8.114 8.713 -0.599 17911 8704 1 16 . 1 1 55 55 PRO HA H 241 4.314 4.314 4.464 -0.150 17911 8705 1 16 . 1 1 55 55 PRO CA C 241 62.973 62.973 62.791 0.182 17911 8706 1 16 . 1 1 55 55 PRO CB C 241 31.917 31.917 32.485 -0.568 17911 8707 1 16 . 1 1 56 56 LEU N N 242 124.468 124.468 121.745 2.723 17911 8708 1 16 . 1 1 56 56 LEU HA H 242 5.200 5.200 4.706 0.494 17911 8709 1 16 . 1 1 56 56 LEU CA C 242 53.747 53.747 53.982 -0.235 17911 8710 1 16 . 1 1 56 56 LEU CB C 242 45.560 45.560 46.193 -0.633 17911 8711 1 16 . 1 1 56 56 LEU H H 242 9.650 9.650 9.386 0.264 17911 8712 1 16 . 1 1 57 57 THR N N 243 116.700 116.700 113.645 3.055 17911 8713 1 16 . 1 1 57 57 THR HA H 243 4.664 4.664 4.813 -0.149 17911 8714 1 16 . 1 1 57 57 THR CA C 243 59.429 59.429 60.050 -0.621 17911 8715 1 16 . 1 1 57 57 THR CB C 243 71.851 71.851 71.945 -0.094 17911 8716 1 16 . 1 1 57 57 THR H H 243 9.279 9.279 8.610 0.669 17911 8717 1 16 . 1 1 58 58 GLN N N 244 119.764 119.764 120.956 -1.192 17911 8718 1 16 . 1 1 58 58 GLN HA H 244 3.827 3.827 4.067 -0.240 17911 8719 1 16 . 1 1 58 58 GLN CA C 244 58.130 58.130 59.738 -1.608 17911 8720 1 16 . 1 1 58 58 GLN CB C 244 27.777 27.777 28.162 -0.385 17911 8721 1 16 . 1 1 58 58 GLN H H 244 8.959 8.959 9.003 -0.044 17911 8722 1 16 . 1 1 59 59 ASP N N 245 117.059 117.059 117.483 -0.424 17911 8723 1 16 . 1 1 59 59 ASP HA H 245 4.325 4.325 4.359 -0.034 17911 8724 1 16 . 1 1 59 59 ASP CA C 245 57.301 57.301 56.830 0.471 17911 8725 1 16 . 1 1 59 59 ASP CB C 245 40.029 40.029 40.256 -0.227 17911 8726 1 16 . 1 1 59 59 ASP H H 245 7.838 7.838 8.960 -1.122 17911 8727 1 16 . 1 1 60 60 HIS N N 246 119.076 119.076 117.902 1.174 17911 8728 1 16 . 1 1 60 60 HIS HA H 246 4.296 4.296 4.553 -0.257 17911 8729 1 16 . 1 1 60 60 HIS CA C 246 58.645 58.645 58.533 0.112 17911 8730 1 16 . 1 1 60 60 HIS CB C 246 32.864 32.864 30.528 2.336 17911 8731 1 16 . 1 1 60 60 HIS H H 246 7.333 7.333 7.597 -0.264 17911 8732 1 16 . 1 1 61 61 VAL N N 247 118.215 118.215 121.041 -2.826 17911 8733 1 16 . 1 1 61 61 VAL HA H 247 3.400 3.400 3.594 -0.194 17911 8734 1 16 . 1 1 61 61 VAL CA C 247 67.257 67.257 66.771 0.486 17911 8735 1 16 . 1 1 61 61 VAL CB C 247 31.010 31.010 31.745 -0.735 17911 8736 1 16 . 1 1 61 61 VAL H H 247 7.565 7.565 8.471 -0.906 17911 8737 1 16 . 1 1 62 62 ASP N N 248 119.651 119.651 119.621 0.030 17911 8738 1 16 . 1 1 62 62 ASP HA H 248 4.358 4.358 4.340 0.018 17911 8739 1 16 . 1 1 62 62 ASP CA C 248 57.557 57.557 57.391 0.166 17911 8740 1 16 . 1 1 62 62 ASP CB C 248 40.027 40.027 40.950 -0.923 17911 8741 1 16 . 1 1 62 62 ASP H H 248 8.142 8.142 8.421 -0.279 17911 8742 1 16 . 1 1 63 63 ILE N N 249 123.545 123.545 118.538 5.007 17911 8743 1 16 . 1 1 63 63 ILE HA H 249 3.756 3.756 3.895 -0.139 17911 8744 1 16 . 1 1 63 63 ILE CA C 249 64.832 64.832 63.385 1.447 17911 8745 1 16 . 1 1 63 63 ILE CB C 249 37.817 37.817 38.060 -0.243 17911 8746 1 16 . 1 1 63 63 ILE H H 249 8.017 8.017 7.381 0.636 17911 8747 1 16 . 1 1 64 64 LEU N N 250 117.125 117.125 117.889 -0.764 17911 8748 1 16 . 1 1 64 64 LEU HA H 250 4.094 4.094 4.217 -0.123 17911 8749 1 16 . 1 1 64 64 LEU CA C 250 55.004 55.004 55.334 -0.330 17911 8750 1 16 . 1 1 64 64 LEU CB C 250 42.662 42.662 41.823 0.839 17911 8751 1 16 . 1 1 64 64 LEU H H 250 7.217 7.217 7.923 -0.706 17911 8752 1 16 . 1 1 65 65 GLY N N 251 108.388 108.388 108.759 -0.371 17911 8753 1 16 . 1 1 65 65 GLY CA C 251 48.708 48.708 48.353 0.355 17911 8754 1 16 . 1 1 65 65 GLY H H 251 7.794 7.794 7.938 -0.144 17911 8755 1 16 . 1 1 66 66 PRO HA H 252 4.243 4.243 4.109 0.134 17911 8756 1 16 . 1 1 66 66 PRO CA C 252 66.036 66.036 65.685 0.351 17911 8757 1 16 . 1 1 66 66 PRO CB C 252 32.172 32.172 31.261 0.911 17911 8758 1 16 . 1 1 67 67 LEU N N 253 117.852 117.852 116.957 0.895 17911 8759 1 16 . 1 1 67 67 LEU HA H 253 3.866 3.866 3.872 -0.006 17911 8760 1 16 . 1 1 67 67 LEU CA C 253 57.301 57.301 56.933 0.368 17911 8761 1 16 . 1 1 67 67 LEU CB C 253 40.539 40.539 41.018 -0.479 17911 8762 1 16 . 1 1 67 67 LEU H H 253 7.344 7.344 7.392 -0.048 17911 8763 1 16 . 1 1 68 68 SER N N 254 117.191 117.191 115.108 2.083 17911 8764 1 16 . 1 1 68 68 SER HA H 254 4.154 4.154 4.405 -0.251 17911 8765 1 16 . 1 1 68 68 SER CA C 254 60.705 60.705 60.944 -0.239 17911 8766 1 16 . 1 1 68 68 SER CB C 254 63.286 63.286 63.204 0.082 17911 8767 1 16 . 1 1 68 68 SER H H 254 7.883 7.883 8.116 -0.233 17911 8768 1 16 . 1 1 69 69 ALA N N 255 123.895 123.895 124.423 -0.528 17911 8769 1 16 . 1 1 69 69 ALA HA H 255 4.078 4.078 4.152 -0.074 17911 8770 1 16 . 1 1 69 69 ALA CA C 255 54.749 54.749 54.325 0.424 17911 8771 1 16 . 1 1 69 69 ALA CB C 255 17.992 17.992 18.239 -0.247 17911 8772 1 16 . 1 1 69 69 ALA H H 255 8.592 8.592 7.787 0.805 17911 8773 1 16 . 1 1 70 70 GLN N N 256 116.528 116.528 117.334 -0.806 17911 8774 1 16 . 1 1 70 70 GLN HA H 256 4.011 4.011 4.132 -0.121 17911 8775 1 16 . 1 1 70 70 GLN CA C 256 58.634 58.634 57.964 0.670 17911 8776 1 16 . 1 1 70 70 GLN CB C 256 28.939 28.939 29.152 -0.213 17911 8777 1 16 . 1 1 70 70 GLN H H 256 7.744 7.744 7.930 -0.186 17911 8778 1 16 . 1 1 71 71 THR N N 257 103.056 103.056 108.092 -5.036 17911 8779 1 16 . 1 1 71 71 THR HA H 257 4.277 4.277 4.460 -0.183 17911 8780 1 16 . 1 1 71 71 THR CA C 257 62.236 62.236 61.900 0.336 17911 8781 1 16 . 1 1 71 71 THR CB C 257 72.277 72.277 70.788 1.489 17911 8782 1 16 . 1 1 71 71 THR H H 257 7.401 7.401 7.852 -0.451 17911 8783 1 16 . 1 1 72 72 GLY N N 258 111.697 111.697 109.952 1.745 17911 8784 1 16 . 1 1 72 72 GLY CA C 258 45.900 45.900 45.560 0.340 17911 8785 1 16 . 1 1 72 72 GLY H H 258 8.113 8.113 8.044 0.069 17911 8786 1 16 . 1 1 73 73 ILE N N 259 120.078 120.078 124.961 -4.883 17911 8787 1 16 . 1 1 73 73 ILE HA H 259 4.451 4.451 4.100 0.351 17911 8788 1 16 . 1 1 73 73 ILE CA C 259 58.903 58.903 60.264 -1.361 17911 8789 1 16 . 1 1 73 73 ILE CB C 259 38.497 38.497 37.559 0.938 17911 8790 1 16 . 1 1 73 73 ILE H H 259 7.598 7.598 7.591 0.007 17911 8791 1 16 . 1 1 74 74 ALA N N 260 107.454 107.454 130.733 -23.279 17911 8792 1 16 . 1 1 74 74 ALA HA H 260 4.178 4.178 4.267 -0.089 17911 8793 1 16 . 1 1 74 74 ALA CA C 260 52.622 52.622 52.751 -0.129 17911 8794 1 16 . 1 1 74 74 ALA CB C 260 18.417 18.417 19.515 -1.098 17911 8795 1 16 . 1 1 74 74 ALA H H 260 9.477 9.477 8.548 0.929 17911 8796 1 16 . 1 1 75 75 VAL N N 261 124.569 124.569 123.483 1.086 17911 8797 1 16 . 1 1 75 75 VAL HA H 261 4.095 4.095 3.884 0.211 17911 8798 1 16 . 1 1 75 75 VAL CA C 261 66.637 66.637 66.145 0.492 17911 8799 1 16 . 1 1 75 75 VAL CB C 261 31.575 31.575 31.782 -0.207 17911 8800 1 16 . 1 1 75 75 VAL H H 261 8.927 8.927 8.795 0.132 17911 8801 1 16 . 1 1 76 76 LEU N N 262 117.285 117.285 118.559 -1.274 17911 8802 1 16 . 1 1 76 76 LEU HA H 262 3.827 3.827 3.964 -0.137 17911 8803 1 16 . 1 1 76 76 LEU CA C 262 58.067 58.067 57.380 0.687 17911 8804 1 16 . 1 1 76 76 LEU CB C 262 39.774 39.774 40.821 -1.047 17911 8805 1 16 . 1 1 76 76 LEU H H 262 8.949 8.949 8.143 0.806 17911 8806 1 16 . 1 1 77 77 ASP N N 263 120.854 120.854 120.517 0.337 17911 8807 1 16 . 1 1 77 77 ASP HA H 263 4.639 4.639 4.439 0.200 17911 8808 1 16 . 1 1 77 77 ASP CA C 263 57.131 57.131 57.030 0.101 17911 8809 1 16 . 1 1 77 77 ASP CB C 263 39.178 39.178 40.594 -1.417 17911 8810 1 16 . 1 1 77 77 ASP H H 263 7.011 7.011 7.888 -0.877 17911 8811 1 16 . 1 1 78 78 MET N N 264 124.661 124.661 121.037 3.624 17911 8812 1 16 . 1 1 78 78 MET HA H 264 4.343 4.343 4.060 0.283 17911 8813 1 16 . 1 1 78 78 MET CA C 264 57.131 57.131 57.895 -0.764 17911 8814 1 16 . 1 1 78 78 MET CB C 264 31.172 31.172 31.775 -0.603 17911 8815 1 16 . 1 1 78 78 MET H H 264 8.025 8.025 8.207 -0.182 17911 8816 1 16 . 1 1 79 79 CYS N N 265 117.740 117.740 118.429 -0.689 17911 8817 1 16 . 1 1 79 79 CYS HA H 265 3.534 3.534 3.660 -0.126 17911 8818 1 16 . 1 1 79 79 CYS CA C 265 64.317 64.317 63.691 0.626 17911 8819 1 16 . 1 1 79 79 CYS CB C 265 25.564 25.564 26.058 -0.494 17911 8820 1 16 . 1 1 79 79 CYS H H 265 8.703 8.703 8.454 0.249 17911 8821 1 16 . 1 1 80 80 ALA N N 266 123.346 123.346 121.851 1.495 17911 8822 1 16 . 1 1 80 80 ALA HA H 266 3.884 3.884 4.094 -0.210 17911 8823 1 16 . 1 1 80 80 ALA CA C 266 55.174 55.174 55.062 0.112 17911 8824 1 16 . 1 1 80 80 ALA CB C 266 17.911 17.911 18.029 -0.118 17911 8825 1 16 . 1 1 80 80 ALA H H 266 7.745 7.745 8.230 -0.485 17911 8826 1 16 . 1 1 81 81 ALA N N 267 122.668 122.668 122.590 0.078 17911 8827 1 16 . 1 1 81 81 ALA HA H 267 4.236 4.236 4.143 0.093 17911 8828 1 16 . 1 1 81 81 ALA CA C 267 54.778 54.778 54.858 -0.080 17911 8829 1 16 . 1 1 81 81 ALA CB C 267 18.247 18.247 18.654 -0.407 17911 8830 1 16 . 1 1 81 81 ALA H H 267 7.513 7.513 8.154 -0.641 17911 8831 1 16 . 1 1 82 82 LEU N N 268 119.844 119.844 120.501 -0.657 17911 8832 1 16 . 1 1 82 82 LEU HA H 268 3.924 3.924 4.024 -0.100 17911 8833 1 16 . 1 1 82 82 LEU CA C 268 57.613 57.613 57.639 -0.026 17911 8834 1 16 . 1 1 82 82 LEU CB C 268 40.681 40.681 41.455 -0.774 17911 8835 1 16 . 1 1 82 82 LEU H H 268 8.304 8.304 8.435 -0.131 17911 8836 1 16 . 1 1 83 83 LYS N N 269 119.140 119.140 119.852 -0.712 17911 8837 1 16 . 1 1 83 83 LYS HA H 269 3.629 3.629 3.898 -0.269 17911 8838 1 16 . 1 1 83 83 LYS CA C 269 60.279 60.279 60.478 -0.199 17911 8839 1 16 . 1 1 83 83 LYS CB C 269 33.052 33.052 32.414 0.638 17911 8840 1 16 . 1 1 83 83 LYS H H 269 8.881 8.881 8.789 0.092 17911 8841 1 16 . 1 1 84 84 GLU N N 270 116.647 116.647 119.732 -3.085 17911 8842 1 16 . 1 1 84 84 GLU HA H 270 4.085 4.085 4.167 -0.082 17911 8843 1 16 . 1 1 84 84 GLU CA C 270 58.903 58.903 59.101 -0.198 17911 8844 1 16 . 1 1 84 84 GLU CB C 270 29.223 29.223 29.468 -0.245 17911 8845 1 16 . 1 1 84 84 GLU H H 270 7.107 7.107 7.906 -0.799 17911 8846 1 16 . 1 1 85 85 LEU N N 271 120.657 120.657 120.815 -0.158 17911 8847 1 16 . 1 1 85 85 LEU HA H 271 3.992 3.992 4.235 -0.243 17911 8848 1 16 . 1 1 85 85 LEU CA C 271 57.872 57.872 57.748 0.124 17911 8849 1 16 . 1 1 85 85 LEU CB C 271 42.326 42.326 41.759 0.567 17911 8850 1 16 . 1 1 85 85 LEU H H 271 7.757 7.757 8.308 -0.551 17911 8851 1 16 . 1 1 86 86 LEU N N 272 119.651 119.651 117.825 1.826 17911 8852 1 16 . 1 1 86 86 LEU HA H 272 3.535 3.535 3.594 -0.059 17911 8853 1 16 . 1 1 86 86 LEU CA C 272 57.356 57.356 57.031 0.325 17911 8854 1 16 . 1 1 86 86 LEU CB C 272 40.880 40.880 41.553 -0.673 17911 8855 1 16 . 1 1 86 86 LEU H H 272 8.336 8.336 8.169 0.167 17911 8856 1 16 . 1 1 87 87 GLN N N 273 113.087 113.087 114.510 -1.423 17911 8857 1 16 . 1 1 87 87 GLN HA H 273 4.099 4.099 4.128 -0.029 17911 8858 1 16 . 1 1 87 87 GLN CA C 273 58.387 58.387 57.897 0.491 17911 8859 1 16 . 1 1 87 87 GLN CB C 273 30.159 30.159 29.888 0.271 17911 8860 1 16 . 1 1 87 87 GLN H H 273 7.422 7.422 8.104 -0.682 17911 8861 1 16 . 1 1 88 88 ASN N N 274 113.925 113.925 113.588 0.337 17911 8862 1 16 . 1 1 88 88 ASN HA H 274 4.921 4.921 4.939 -0.018 17911 8863 1 16 . 1 1 88 88 ASN CA C 274 53.747 53.747 53.068 0.679 17911 8864 1 16 . 1 1 88 88 ASN CB C 274 40.625 40.625 41.470 -0.845 17911 8865 1 16 . 1 1 88 88 ASN H H 274 8.388 8.388 8.280 0.108 17911 8866 1 16 . 1 1 89 89 GLY N N 275 109.040 109.040 108.467 0.573 17911 8867 1 16 . 1 1 89 89 GLY CA C 275 44.709 44.709 44.649 0.060 17911 8868 1 16 . 1 1 89 89 GLY H H 275 7.698 7.698 7.628 0.070 17911 8869 1 16 . 1 1 90 90 MET N N 276 115.183 115.183 120.314 -5.131 17911 8870 1 16 . 1 1 90 90 MET HA H 276 4.434 4.434 4.785 -0.351 17911 8871 1 16 . 1 1 90 90 MET CA C 276 56.791 56.791 55.297 1.494 17911 8872 1 16 . 1 1 90 90 MET CB C 276 33.637 33.637 33.202 0.435 17911 8873 1 16 . 1 1 90 90 MET H H 276 8.599 8.599 8.307 0.292 17911 8874 1 16 . 1 1 91 91 ASN N N 277 118.020 118.020 118.169 -0.149 17911 8875 1 16 . 1 1 91 91 ASN HA H 277 4.301 4.301 4.380 -0.079 17911 8876 1 16 . 1 1 91 91 ASN CA C 277 53.983 53.983 53.855 0.128 17911 8877 1 16 . 1 1 91 91 ASN CB C 277 37.987 37.987 38.170 -0.183 17911 8878 1 16 . 1 1 91 91 ASN H H 277 9.033 9.033 8.700 0.333 17911 8879 1 16 . 1 1 92 92 GLY N N 278 104.906 104.906 103.347 1.559 17911 8880 1 16 . 1 1 92 92 GLY CA C 278 45.645 45.645 45.460 0.185 17911 8881 1 16 . 1 1 92 92 GLY H H 278 8.538 8.538 8.442 0.096 17911 8882 1 16 . 1 1 93 93 ARG N N 279 120.056 120.056 120.445 -0.389 17911 8883 1 16 . 1 1 93 93 ARG HA H 279 4.237 4.237 4.131 0.106 17911 8884 1 16 . 1 1 93 93 ARG CA C 279 55.344 55.344 55.367 -0.023 17911 8885 1 16 . 1 1 93 93 ARG CB C 279 31.491 31.491 29.714 1.777 17911 8886 1 16 . 1 1 93 93 ARG H H 279 7.257 7.257 7.524 -0.267 17911 8887 1 16 . 1 1 94 94 THR N N 280 106.223 106.223 112.749 -6.526 17911 8888 1 16 . 1 1 94 94 THR HA H 280 5.028 5.028 4.660 0.368 17911 8889 1 16 . 1 1 94 94 THR CA C 280 59.684 59.684 62.700 -3.016 17911 8890 1 16 . 1 1 94 94 THR CB C 280 72.787 72.787 69.437 3.350 17911 8891 1 16 . 1 1 94 94 THR H H 280 7.726 7.726 8.149 -0.423 17911 8892 1 16 . 1 1 95 95 ILE N N 281 121.214 121.214 123.914 -2.700 17911 8893 1 16 . 1 1 95 95 ILE HA H 281 4.301 4.301 4.734 -0.433 17911 8894 1 16 . 1 1 95 95 ILE CA C 281 62.066 62.066 61.410 0.656 17911 8895 1 16 . 1 1 95 95 ILE CB C 281 40.539 40.539 40.134 0.405 17911 8896 1 16 . 1 1 95 95 ILE H H 281 8.761 8.761 8.654 0.107 17911 8897 1 16 . 1 1 96 96 LEU N N 282 128.347 128.347 118.609 9.738 17911 8898 1 16 . 1 1 96 96 LEU HA H 282 3.850 3.850 4.417 -0.567 17911 8899 1 16 . 1 1 96 96 LEU CA C 282 55.344 55.344 54.264 1.080 17911 8900 1 16 . 1 1 96 96 LEU CB C 282 40.539 40.539 42.324 -1.785 17911 8901 1 16 . 1 1 96 96 LEU H H 282 9.905 9.905 7.455 2.450 17911 8902 1 16 . 1 1 97 97 GLY N N 283 103.322 103.322 107.230 -3.908 17911 8903 1 16 . 1 1 97 97 GLY CA C 283 45.645 45.645 45.085 0.560 17911 8904 1 16 . 1 1 97 97 GLY H H 283 8.937 8.937 8.424 0.513 17911 8905 1 16 . 1 1 98 98 SER N N 284 116.619 116.619 114.815 1.804 17911 8906 1 16 . 1 1 98 98 SER HA H 284 4.950 4.950 4.854 0.096 17911 8907 1 16 . 1 1 98 98 SER CA C 284 56.961 56.961 57.045 -0.084 17911 8908 1 16 . 1 1 98 98 SER CB C 284 65.044 65.044 65.046 -0.002 17911 8909 1 16 . 1 1 98 98 SER H H 284 8.612 8.612 7.894 0.718 17911 8910 1 16 . 1 1 99 99 THR N N 285 114.513 114.513 112.792 1.721 17911 8911 1 16 . 1 1 99 99 THR HA H 285 4.598 4.598 4.504 0.094 17911 8912 1 16 . 1 1 99 99 THR CA C 285 61.739 61.739 63.142 -1.403 17911 8913 1 16 . 1 1 99 99 THR CB C 285 69.214 69.214 68.986 0.228 17911 8914 1 16 . 1 1 99 99 THR H H 285 8.601 8.601 8.585 0.016 17911 8915 1 16 . 1 1 100 100 ILE N N 286 117.511 117.511 115.902 1.609 17911 8916 1 16 . 1 1 100 100 ILE HA H 286 4.496 4.496 4.688 -0.192 17911 8917 1 16 . 1 1 100 100 ILE CA C 286 59.173 59.173 59.330 -0.157 17911 8918 1 16 . 1 1 100 100 ILE CB C 286 41.887 41.887 41.477 0.410 17911 8919 1 16 . 1 1 100 100 ILE H H 286 7.931 7.931 7.188 0.743 17911 8920 1 16 . 1 1 101 101 LEU N N 287 121.101 121.101 118.335 2.766 17911 8921 1 16 . 1 1 101 101 LEU HA H 287 4.157 4.157 4.469 -0.312 17911 8922 1 16 . 1 1 101 101 LEU CA C 287 54.520 54.520 53.647 0.873 17911 8923 1 16 . 1 1 101 101 LEU CB C 287 40.083 40.083 43.549 -3.466 17911 8924 1 16 . 1 1 101 101 LEU H H 287 8.025 8.025 8.259 -0.234 17911 8925 1 16 . 1 1 102 102 GLU HA H 288 3.720 3.720 4.270 -0.550 17911 8926 1 16 . 1 1 102 102 GLU CA C 288 55.770 55.770 54.350 1.419 17911 8927 1 16 . 1 1 102 102 GLU CB C 288 29.904 29.904 32.552 -2.648 17911 8928 1 16 . 1 1 103 103 ASP N N 289 121.287 121.287 118.716 2.571 17911 8929 1 16 . 1 1 103 103 ASP HA H 289 4.513 4.513 4.663 -0.150 17911 8930 1 16 . 1 1 103 103 ASP CA C 289 52.281 52.281 53.262 -0.981 17911 8931 1 16 . 1 1 103 103 ASP CB C 289 42.922 42.922 40.905 2.017 17911 8932 1 16 . 1 1 103 103 ASP H H 289 8.014 8.014 8.392 -0.378 17911 8933 1 16 . 1 1 104 104 GLU N N 290 118.245 118.245 118.544 -0.299 17911 8934 1 16 . 1 1 104 104 GLU HA H 290 3.904 3.904 4.061 -0.157 17911 8935 1 16 . 1 1 104 104 GLU CA C 290 57.614 57.614 56.842 0.772 17911 8936 1 16 . 1 1 104 104 GLU CB C 290 30.499 30.499 29.480 1.018 17911 8937 1 16 . 1 1 104 104 GLU H H 290 7.432 7.432 8.264 -0.832 17911 8938 1 16 . 1 1 105 105 PHE N N 291 120.606 120.606 117.525 3.081 17911 8939 1 16 . 1 1 105 105 PHE HA H 291 4.838 4.838 4.817 0.021 17911 8940 1 16 . 1 1 105 105 PHE CA C 291 56.536 56.536 56.480 0.056 17911 8941 1 16 . 1 1 105 105 PHE CB C 291 39.774 39.774 40.930 -1.156 17911 8942 1 16 . 1 1 105 105 PHE H H 291 8.835 8.835 7.637 1.198 17911 8943 1 16 . 1 1 106 106 THR N N 292 111.349 111.349 118.458 -7.109 17911 8944 1 16 . 1 1 106 106 THR HA H 292 4.670 4.670 4.755 -0.085 17911 8945 1 16 . 1 1 106 106 THR CA C 292 59.344 59.344 59.861 -0.517 17911 8946 1 16 . 1 1 106 106 THR CB C 292 69.299 69.299 70.030 -0.731 17911 8947 1 16 . 1 1 106 106 THR H H 292 8.757 8.757 8.795 -0.038 17911 8948 1 16 . 1 1 107 107 PRO HA H 293 3.988 3.988 4.460 -0.472 17911 8949 1 16 . 1 1 107 107 PRO CA C 293 65.606 65.606 64.430 1.176 17911 8950 1 16 . 1 1 107 107 PRO CB C 293 31.321 31.321 31.716 -0.395 17911 8951 1 16 . 1 1 108 108 PHE N N 294 114.627 114.627 120.956 -6.329 17911 8952 1 16 . 1 1 108 108 PHE HA H 294 4.201 4.201 4.218 -0.017 17911 8953 1 16 . 1 1 108 108 PHE CA C 294 59.676 59.676 61.158 -1.482 17911 8954 1 16 . 1 1 108 108 PHE CB C 294 38.582 38.582 39.309 -0.727 17911 8955 1 16 . 1 1 108 108 PHE H H 294 7.310 7.310 8.093 -0.783 17911 8956 1 16 . 1 1 109 109 ASP N N 295 120.210 120.210 115.755 4.455 17911 8957 1 16 . 1 1 109 109 ASP HA H 295 4.404 4.404 4.565 -0.161 17911 8958 1 16 . 1 1 109 109 ASP CA C 295 57.098 57.098 54.392 2.706 17911 8959 1 16 . 1 1 109 109 ASP CB C 295 41.475 41.475 41.056 0.419 17911 8960 1 16 . 1 1 109 109 ASP H H 295 7.837 7.837 8.361 -0.524 17911 8961 1 16 . 1 1 110 110 VAL N N 296 119.070 119.070 121.405 -2.335 17911 8962 1 16 . 1 1 110 110 VAL HA H 296 3.602 3.602 3.803 -0.201 17911 8963 1 16 . 1 1 110 110 VAL CA C 296 66.491 66.491 65.232 1.259 17911 8964 1 16 . 1 1 110 110 VAL CB C 296 31.605 31.605 31.557 0.048 17911 8965 1 16 . 1 1 110 110 VAL H H 296 7.945 7.945 7.566 0.379 17911 8966 1 16 . 1 1 111 111 VAL N N 297 119.540 119.540 117.003 2.537 17911 8967 1 16 . 1 1 111 111 VAL HA H 297 3.601 3.601 3.768 -0.167 17911 8968 1 16 . 1 1 111 111 VAL CA C 297 66.379 66.379 63.091 3.288 17911 8969 1 16 . 1 1 111 111 VAL CB C 297 31.605 31.605 31.368 0.237 17911 8970 1 16 . 1 1 111 111 VAL H H 297 8.109 8.109 7.539 0.570 17911 8971 1 16 . 1 1 112 112 ARG N N 298 119.680 119.680 115.934 3.746 17911 8972 1 16 . 1 1 112 112 ARG HA H 298 4.010 4.010 3.883 0.127 17911 8973 1 16 . 1 1 112 112 ARG CA C 298 58.634 58.634 57.246 1.388 17911 8974 1 16 . 1 1 112 112 ARG CB C 298 30.028 30.028 28.973 1.055 17911 8975 1 16 . 1 1 112 112 ARG H H 298 7.710 7.710 7.552 0.158 17911 8976 1 16 . 1 1 113 113 GLN N N 299 117.786 117.786 117.996 -0.210 17911 8977 1 16 . 1 1 113 113 GLN HA H 299 4.158 4.158 3.855 0.303 17911 8978 1 16 . 1 1 113 113 GLN CA C 299 57.557 57.557 58.829 -1.272 17911 8979 1 16 . 1 1 113 113 GLN CB C 299 29.308 29.308 28.253 1.055 17911 8980 1 16 . 1 1 113 113 GLN H H 299 8.033 8.033 8.711 -0.678 17911 8981 1 16 . 1 1 114 114 CYS N N 300 115.786 115.786 119.155 -3.369 17911 8982 1 16 . 1 1 114 114 CYS HA H 300 4.470 4.470 4.157 0.313 17911 8983 1 16 . 1 1 114 114 CYS CA C 300 59.934 59.934 60.434 -0.500 17911 8984 1 16 . 1 1 114 114 CYS CB C 300 28.293 28.293 26.949 1.344 17911 8985 1 16 . 1 1 114 114 CYS H H 300 8.071 8.071 8.069 0.002 17911 8986 1 16 . 1 1 115 115 SER N N 301 116.258 116.258 115.812 0.446 17911 8987 1 16 . 1 1 115 115 SER HA H 301 4.407 4.407 4.171 0.236 17911 8988 1 16 . 1 1 115 115 SER CA C 301 59.485 59.485 60.200 -0.715 17911 8989 1 16 . 1 1 115 115 SER CB C 301 63.286 63.286 63.439 -0.153 17911 8990 1 16 . 1 1 115 115 SER H H 301 7.883 7.883 8.260 -0.377 17911 8991 1 16 . 1 1 116 116 GLY N N 302 110.709 110.709 110.432 0.277 17911 8992 1 16 . 1 1 116 116 GLY CA C 302 45.239 45.239 45.881 -0.642 17911 8993 1 16 . 1 1 116 116 GLY H H 302 8.355 8.355 8.062 0.293 17911 8994 1 16 . 1 1 117 117 VAL N N 303 119.189 119.189 114.203 4.986 17911 8995 1 16 . 1 1 117 117 VAL HA H 303 4.057 4.057 3.943 0.114 17911 8996 1 16 . 1 1 117 117 VAL CA C 303 62.236 62.236 62.582 -0.346 17911 8997 1 16 . 1 1 117 117 VAL CB C 303 32.626 32.626 33.073 -0.447 17911 8998 1 16 . 1 1 117 117 VAL H H 303 7.710 7.710 7.449 0.261 17911 8999 1 16 . 1 1 118 118 THR N N 304 118.009 118.009 112.555 5.454 17911 9000 1 16 . 1 1 118 118 THR HA H 304 4.279 4.279 4.255 0.024 17911 9001 1 16 . 1 1 118 118 THR CA C 304 61.556 61.556 62.228 -0.672 17911 9002 1 16 . 1 1 118 118 THR CB C 304 69.894 69.894 69.745 0.149 17911 9003 1 16 . 1 1 118 118 THR H H 304 8.109 8.109 7.547 0.562 17911 9004 1 16 . 1 1 119 119 PHE N N 305 123.287 123.287 117.738 5.549 17911 9005 1 16 . 1 1 119 119 PHE HA H 305 4.605 4.605 4.082 0.523 17911 9006 1 16 . 1 1 119 119 PHE CA C 305 57.727 57.727 59.121 -1.394 17911 9007 1 16 . 1 1 119 119 PHE CB C 305 39.859 39.859 36.123 3.736 17911 9008 1 16 . 1 1 119 119 PHE H H 305 8.298 8.298 8.076 0.222 17911 9009 1 17 . 1 1 2 2 ARG N N 188 121.886 121.886 121.553 0.333 17911 9010 1 17 . 1 1 2 2 ARG HA H 188 4.242 4.242 4.106 0.136 17911 9011 1 17 . 1 1 2 2 ARG CA C 188 56.487 56.487 57.483 -0.996 17911 9012 1 17 . 1 1 2 2 ARG CB C 188 30.857 30.857 30.801 0.056 17911 9013 1 17 . 1 1 2 2 ARG H H 188 8.475 8.475 8.512 -0.037 17911 9014 1 17 . 1 1 3 3 GLN N N 189 121.336 121.336 119.742 1.594 17911 9015 1 17 . 1 1 3 3 GLN HA H 189 4.302 4.302 4.122 0.180 17911 9016 1 17 . 1 1 3 3 GLN CA C 189 56.366 56.366 57.486 -1.119 17911 9017 1 17 . 1 1 3 3 GLN CB C 189 29.254 29.254 28.843 0.411 17911 9018 1 17 . 1 1 3 3 GLN H H 189 8.553 8.553 8.038 0.515 17911 9019 1 17 . 1 1 4 4 THR N N 190 115.273 115.273 114.660 0.613 17911 9020 1 17 . 1 1 4 4 THR HA H 190 4.275 4.275 3.992 0.283 17911 9021 1 17 . 1 1 4 4 THR CA C 190 62.066 62.066 63.276 -1.210 17911 9022 1 17 . 1 1 4 4 THR CB C 190 69.894 69.894 67.551 2.343 17911 9023 1 17 . 1 1 4 4 THR H H 190 8.123 8.123 8.685 -0.562 17911 9024 1 17 . 1 1 5 5 ALA N N 191 126.029 126.029 121.827 4.202 17911 9025 1 17 . 1 1 5 5 ALA HA H 191 4.247 4.247 4.444 -0.197 17911 9026 1 17 . 1 1 5 5 ALA CA C 191 52.537 52.537 52.522 0.015 17911 9027 1 17 . 1 1 5 5 ALA CB C 191 19.183 19.183 20.049 -0.866 17911 9028 1 17 . 1 1 5 5 ALA H H 191 8.284 8.284 7.776 0.508 17911 9029 1 17 . 1 1 6 6 GLN N N 192 119.614 119.614 118.051 1.563 17911 9030 1 17 . 1 1 6 6 GLN HA H 192 4.217 4.217 4.769 -0.552 17911 9031 1 17 . 1 1 6 6 GLN CA C 192 55.685 55.685 55.152 0.533 17911 9032 1 17 . 1 1 6 6 GLN CB C 192 29.513 29.513 30.203 -0.690 17911 9033 1 17 . 1 1 6 6 GLN H H 192 8.287 8.287 7.950 0.337 17911 9034 1 17 . 1 1 7 7 ALA N N 193 125.571 125.571 121.327 4.244 17911 9035 1 17 . 1 1 7 7 ALA HA H 193 4.246 4.246 4.805 -0.559 17911 9036 1 17 . 1 1 7 7 ALA CA C 193 52.537 52.537 51.127 1.410 17911 9037 1 17 . 1 1 7 7 ALA CB C 193 19.268 19.268 20.122 -0.854 17911 9038 1 17 . 1 1 7 7 ALA H H 193 8.271 8.271 8.254 0.017 17911 9039 1 17 . 1 1 8 8 ALA N N 194 123.461 123.461 122.662 0.799 17911 9040 1 17 . 1 1 8 8 ALA HA H 194 4.250 4.250 4.072 0.178 17911 9041 1 17 . 1 1 8 8 ALA CA C 194 52.593 52.593 54.690 -2.097 17911 9042 1 17 . 1 1 8 8 ALA CB C 194 19.324 19.324 18.438 0.886 17911 9043 1 17 . 1 1 8 8 ALA H H 194 8.275 8.275 8.745 -0.470 17911 9044 1 17 . 1 1 9 9 GLY N N 195 108.312 108.312 105.290 3.022 17911 9045 1 17 . 1 1 9 9 GLY CA C 195 45.219 45.219 46.582 -1.363 17911 9046 1 17 . 1 1 9 9 GLY H H 195 8.328 8.328 8.265 0.063 17911 9047 1 17 . 1 1 10 10 THR N N 196 112.710 112.710 114.457 -1.747 17911 9048 1 17 . 1 1 10 10 THR HA H 196 4.334 4.334 4.122 0.212 17911 9049 1 17 . 1 1 10 10 THR CA C 196 61.471 61.471 64.506 -3.035 17911 9050 1 17 . 1 1 10 10 THR CB C 196 69.894 69.894 69.198 0.696 17911 9051 1 17 . 1 1 10 10 THR H H 196 7.998 7.998 7.921 0.077 17911 9052 1 17 . 1 1 11 11 ASP N N 197 122.862 122.862 117.746 5.116 17911 9053 1 17 . 1 1 11 11 ASP HA H 197 4.609 4.609 4.786 -0.177 17911 9054 1 17 . 1 1 11 11 ASP CA C 197 54.262 54.262 54.347 -0.085 17911 9055 1 17 . 1 1 11 11 ASP CB C 197 41.135 41.135 43.621 -2.486 17911 9056 1 17 . 1 1 11 11 ASP H H 197 8.404 8.404 7.906 0.498 17911 9057 1 17 . 1 1 12 12 THR N N 198 114.709 114.709 115.367 -0.658 17911 9058 1 17 . 1 1 12 12 THR HA H 198 4.400 4.400 4.295 0.105 17911 9059 1 17 . 1 1 12 12 THR CA C 198 61.223 61.223 62.882 -1.659 17911 9060 1 17 . 1 1 12 12 THR CB C 198 70.490 70.490 69.364 1.127 17911 9061 1 17 . 1 1 12 12 THR H H 198 7.895 7.895 7.860 0.035 17911 9062 1 17 . 1 1 13 13 THR N N 199 122.785 122.785 120.264 2.521 17911 9063 1 17 . 1 1 13 13 THR HA H 199 3.961 3.961 4.207 -0.246 17911 9064 1 17 . 1 1 13 13 THR CA C 199 63.286 63.286 63.891 -0.605 17911 9065 1 17 . 1 1 13 13 THR CB C 199 68.958 68.958 68.993 -0.035 17911 9066 1 17 . 1 1 13 13 THR H H 199 8.354 8.354 8.332 0.022 17911 9067 1 17 . 1 1 14 14 ILE N N 200 127.902 127.902 129.866 -1.964 17911 9068 1 17 . 1 1 14 14 ILE HA H 200 3.807 3.807 4.253 -0.446 17911 9069 1 17 . 1 1 14 14 ILE CA C 200 60.965 60.965 61.599 -0.634 17911 9070 1 17 . 1 1 14 14 ILE CB C 200 35.860 35.860 36.075 -0.215 17911 9071 1 17 . 1 1 14 14 ILE H H 200 9.362 9.362 9.218 0.144 17911 9072 1 17 . 1 1 15 15 THR N N 201 130.379 130.379 123.377 7.002 17911 9073 1 17 . 1 1 15 15 THR HA H 201 3.521 3.521 4.135 -0.614 17911 9074 1 17 . 1 1 15 15 THR CA C 201 66.637 66.637 66.892 -0.255 17911 9075 1 17 . 1 1 15 15 THR CB C 201 67.411 67.411 68.587 -1.176 17911 9076 1 17 . 1 1 15 15 THR H H 201 7.834 7.834 8.197 -0.363 17911 9077 1 17 . 1 1 16 16 LEU N N 202 120.049 120.049 121.605 -1.556 17911 9078 1 17 . 1 1 16 16 LEU HA H 202 3.715 3.715 4.107 -0.392 17911 9079 1 17 . 1 1 16 16 LEU CA C 202 58.387 58.387 58.815 -0.428 17911 9080 1 17 . 1 1 16 16 LEU CB C 202 43.148 43.148 41.677 1.471 17911 9081 1 17 . 1 1 16 16 LEU H H 202 8.913 8.913 8.567 0.346 17911 9082 1 17 . 1 1 17 17 ASN N N 203 117.390 117.390 117.616 -0.226 17911 9083 1 17 . 1 1 17 17 ASN HA H 203 4.594 4.594 4.662 -0.068 17911 9084 1 17 . 1 1 17 17 ASN CA C 203 54.520 54.520 56.121 -1.601 17911 9085 1 17 . 1 1 17 17 ASN CB C 203 37.246 37.246 38.024 -0.778 17911 9086 1 17 . 1 1 17 17 ASN H H 203 6.926 6.926 7.971 -1.045 17911 9087 1 17 . 1 1 18 18 VAL N N 204 123.434 123.434 122.436 0.998 17911 9088 1 17 . 1 1 18 18 VAL HA H 204 4.242 4.242 4.134 0.108 17911 9089 1 17 . 1 1 18 18 VAL CA C 204 66.236 66.236 66.810 -0.574 17911 9090 1 17 . 1 1 18 18 VAL CB C 204 31.605 31.605 31.854 -0.249 17911 9091 1 17 . 1 1 18 18 VAL H H 204 7.660 7.660 7.857 -0.197 17911 9092 1 17 . 1 1 19 19 LEU N N 205 117.301 117.301 120.406 -3.105 17911 9093 1 17 . 1 1 19 19 LEU HA H 205 3.945 3.945 3.868 0.077 17911 9094 1 17 . 1 1 19 19 LEU CA C 205 58.408 58.408 58.509 -0.101 17911 9095 1 17 . 1 1 19 19 LEU CB C 205 42.918 42.918 41.179 1.739 17911 9096 1 17 . 1 1 19 19 LEU H H 205 8.573 8.573 8.601 -0.028 17911 9097 1 17 . 1 1 20 20 ALA N N 206 120.290 120.290 121.892 -1.602 17911 9098 1 17 . 1 1 20 20 ALA HA H 206 4.012 4.012 4.209 -0.197 17911 9099 1 17 . 1 1 20 20 ALA CA C 206 56.195 56.195 55.263 0.932 17911 9100 1 17 . 1 1 20 20 ALA CB C 206 17.911 17.911 18.163 -0.252 17911 9101 1 17 . 1 1 20 20 ALA H H 206 8.188 8.188 8.554 -0.366 17911 9102 1 17 . 1 1 21 21 TRP N N 207 121.219 121.219 121.008 0.211 17911 9103 1 17 . 1 1 21 21 TRP HA H 207 4.110 4.110 4.216 -0.106 17911 9104 1 17 . 1 1 21 21 TRP CA C 207 61.224 61.224 62.305 -1.081 17911 9105 1 17 . 1 1 21 21 TRP CB C 207 28.712 28.712 29.440 -0.728 17911 9106 1 17 . 1 1 21 21 TRP H H 207 8.406 8.406 8.507 -0.101 17911 9107 1 17 . 1 1 22 22 LEU HA H 208 3.517 3.517 3.546 -0.029 17911 9108 1 17 . 1 1 22 22 LEU CA C 208 57.897 57.897 57.881 0.016 17911 9109 1 17 . 1 1 22 22 LEU CB C 208 40.880 40.880 41.278 -0.398 17911 9110 1 17 . 1 1 22 22 LEU H H 208 8.620 8.620 8.649 -0.029 17911 9111 1 17 . 1 1 23 23 TYR N N 209 117.656 117.656 119.057 -1.401 17911 9112 1 17 . 1 1 23 23 TYR HA H 209 3.956 3.956 4.085 -0.129 17911 9113 1 17 . 1 1 23 23 TYR CA C 209 64.704 64.704 62.047 2.657 17911 9114 1 17 . 1 1 23 23 TYR CB C 209 38.793 38.793 37.544 1.249 17911 9115 1 17 . 1 1 23 23 TYR H H 209 8.368 8.368 8.593 -0.225 17911 9116 1 17 . 1 1 24 24 ALA N N 210 122.658 122.658 121.287 1.371 17911 9117 1 17 . 1 1 24 24 ALA HA H 210 3.837 3.837 3.839 -0.002 17911 9118 1 17 . 1 1 24 24 ALA CA C 210 55.036 55.036 54.842 0.195 17911 9119 1 17 . 1 1 24 24 ALA CB C 210 17.311 17.311 17.634 -0.323 17911 9120 1 17 . 1 1 24 24 ALA H H 210 8.461 8.461 8.383 0.078 17911 9121 1 17 . 1 1 25 25 ALA N N 211 123.868 123.868 121.665 2.203 17911 9122 1 17 . 1 1 25 25 ALA HA H 211 3.761 3.761 3.697 0.064 17911 9123 1 17 . 1 1 25 25 ALA CA C 211 55.551 55.551 54.792 0.759 17911 9124 1 17 . 1 1 25 25 ALA CB C 211 17.992 17.992 18.117 -0.125 17911 9125 1 17 . 1 1 25 25 ALA H H 211 8.564 8.564 7.701 0.863 17911 9126 1 17 . 1 1 26 26 VAL N N 212 119.783 119.783 119.564 0.219 17911 9127 1 17 . 1 1 26 26 VAL HA H 212 3.487 3.487 3.647 -0.160 17911 9128 1 17 . 1 1 26 26 VAL CA C 212 66.576 66.576 66.740 -0.164 17911 9129 1 17 . 1 1 26 26 VAL CB C 212 31.575 31.575 31.605 -0.030 17911 9130 1 17 . 1 1 26 26 VAL H H 212 8.008 8.008 8.072 -0.064 17911 9131 1 17 . 1 1 27 27 ILE N N 213 124.428 124.428 117.327 7.101 17911 9132 1 17 . 1 1 27 27 ILE HA H 213 3.559 3.559 3.640 -0.081 17911 9133 1 17 . 1 1 27 27 ILE CA C 213 65.526 65.526 64.298 1.228 17911 9134 1 17 . 1 1 27 27 ILE CB C 213 37.902 37.902 37.760 0.142 17911 9135 1 17 . 1 1 27 27 ILE H H 213 8.576 8.576 8.182 0.394 17911 9136 1 17 . 1 1 28 28 ASN N N 214 116.563 116.563 115.735 0.828 17911 9137 1 17 . 1 1 28 28 ASN HA H 214 4.565 4.565 4.608 -0.043 17911 9138 1 17 . 1 1 28 28 ASN CA C 214 54.579 54.579 55.058 -0.479 17911 9139 1 17 . 1 1 28 28 ASN CB C 214 40.340 40.340 39.960 0.380 17911 9140 1 17 . 1 1 28 28 ASN H H 214 7.714 7.714 8.032 -0.318 17911 9141 1 17 . 1 1 29 29 GLY N N 215 107.004 107.004 107.090 -0.086 17911 9142 1 17 . 1 1 29 29 GLY CA C 215 45.683 45.683 44.884 0.799 17911 9143 1 17 . 1 1 29 29 GLY H H 215 7.861 7.861 8.306 -0.445 17911 9144 1 17 . 1 1 30 30 ASP N N 216 125.780 125.780 125.486 0.294 17911 9145 1 17 . 1 1 30 30 ASP HA H 216 5.019 5.019 4.484 0.535 17911 9146 1 17 . 1 1 30 30 ASP CA C 216 53.643 53.643 55.499 -1.856 17911 9147 1 17 . 1 1 30 30 ASP CB C 216 41.561 41.561 40.584 0.977 17911 9148 1 17 . 1 1 30 30 ASP H H 216 8.560 8.560 8.029 0.531 17911 9149 1 17 . 1 1 31 31 ARG N N 217 115.297 115.297 120.905 -5.608 17911 9150 1 17 . 1 1 31 31 ARG HA H 217 3.711 3.711 2.912 0.799 17911 9151 1 17 . 1 1 31 31 ARG CA C 217 54.520 54.520 54.768 -0.248 17911 9152 1 17 . 1 1 31 31 ARG CB C 217 32.116 32.116 30.506 1.609 17911 9153 1 17 . 1 1 31 31 ARG H H 217 7.984 7.984 7.693 0.291 17911 9154 1 17 . 1 1 32 32 TRP N N 218 119.754 119.754 119.951 -0.197 17911 9155 1 17 . 1 1 32 32 TRP HA H 218 4.120 4.120 4.214 -0.094 17911 9156 1 17 . 1 1 32 32 TRP CA C 218 58.387 58.387 57.862 0.525 17911 9157 1 17 . 1 1 32 32 TRP CB C 218 28.372 28.372 28.179 0.193 17911 9158 1 17 . 1 1 32 32 TRP H H 218 7.368 7.368 7.187 0.181 17911 9159 1 17 . 1 1 33 33 PHE HA H 219 3.919 3.919 4.704 -0.785 17911 9160 1 17 . 1 1 33 33 PHE CA C 219 55.315 55.315 55.919 -0.604 17911 9161 1 17 . 1 1 33 33 PHE CB C 219 37.277 37.277 37.748 -0.471 17911 9162 1 17 . 1 1 34 34 LEU N N 220 122.632 122.632 123.798 -1.166 17911 9163 1 17 . 1 1 34 34 LEU HA H 220 3.931 3.931 4.361 -0.430 17911 9164 1 17 . 1 1 34 34 LEU CA C 220 55.315 55.315 53.673 1.641 17911 9165 1 17 . 1 1 34 34 LEU CB C 220 40.790 40.790 39.937 0.853 17911 9166 1 17 . 1 1 34 34 LEU H H 220 6.447 6.447 7.329 -0.882 17911 9167 1 17 . 1 1 35 35 ASN N N 221 119.503 119.503 118.720 0.783 17911 9168 1 17 . 1 1 35 35 ASN HA H 221 4.709 4.709 4.268 0.441 17911 9169 1 17 . 1 1 35 35 ASN CA C 221 52.026 52.026 52.999 -0.973 17911 9170 1 17 . 1 1 35 35 ASN CB C 221 40.598 40.598 38.192 2.406 17911 9171 1 17 . 1 1 35 35 ASN H H 221 8.105 8.105 8.213 -0.108 17911 9172 1 17 . 1 1 36 36 ARG N N 222 116.408 116.408 112.118 4.290 17911 9173 1 17 . 1 1 36 36 ARG HA H 222 4.293 4.293 4.156 0.137 17911 9174 1 17 . 1 1 36 36 ARG CA C 222 55.600 55.600 57.249 -1.649 17911 9175 1 17 . 1 1 36 36 ARG CB C 222 28.997 28.997 27.246 1.751 17911 9176 1 17 . 1 1 36 36 ARG H H 222 8.099 8.099 7.834 0.265 17911 9177 1 17 . 1 1 37 37 PHE N N 223 120.398 120.398 119.418 0.980 17911 9178 1 17 . 1 1 37 37 PHE HA H 223 4.813 4.813 4.652 0.161 17911 9179 1 17 . 1 1 37 37 PHE CA C 223 56.081 56.081 56.844 -0.763 17911 9180 1 17 . 1 1 37 37 PHE CB C 223 40.085 40.085 38.903 1.182 17911 9181 1 17 . 1 1 37 37 PHE H H 223 7.842 7.842 7.894 -0.052 17911 9182 1 17 . 1 1 38 38 THR N N 224 112.040 112.040 112.297 -0.257 17911 9183 1 17 . 1 1 38 38 THR HA H 224 4.653 4.653 4.651 0.002 17911 9184 1 17 . 1 1 38 38 THR CA C 224 60.708 60.708 61.122 -0.414 17911 9185 1 17 . 1 1 38 38 THR CB C 224 71.000 71.000 70.647 0.353 17911 9186 1 17 . 1 1 38 38 THR H H 224 8.231 8.231 8.237 -0.006 17911 9187 1 17 . 1 1 39 39 THR N N 225 116.627 116.627 116.938 -0.311 17911 9188 1 17 . 1 1 39 39 THR HA H 225 4.925 4.925 4.725 0.200 17911 9189 1 17 . 1 1 39 39 THR CA C 225 59.677 59.677 60.127 -0.450 17911 9190 1 17 . 1 1 39 39 THR CB C 225 69.989 69.989 70.621 -0.632 17911 9191 1 17 . 1 1 39 39 THR H H 225 8.107 8.107 8.128 -0.021 17911 9192 1 17 . 1 1 40 40 THR N N 226 111.263 111.263 116.870 -5.607 17911 9193 1 17 . 1 1 40 40 THR HA H 226 4.727 4.727 4.451 0.276 17911 9194 1 17 . 1 1 40 40 THR CA C 226 59.740 59.740 61.425 -1.685 17911 9195 1 17 . 1 1 40 40 THR CB C 226 72.052 72.052 70.085 1.966 17911 9196 1 17 . 1 1 40 40 THR H H 226 8.481 8.481 8.212 0.269 17911 9197 1 17 . 1 1 41 41 LEU N N 227 123.989 123.989 124.017 -0.028 17911 9198 1 17 . 1 1 41 41 LEU HA H 227 3.986 3.986 4.151 -0.165 17911 9199 1 17 . 1 1 41 41 LEU CA C 227 58.903 58.903 58.274 0.629 17911 9200 1 17 . 1 1 41 41 LEU CB C 227 41.561 41.561 42.052 -0.491 17911 9201 1 17 . 1 1 41 41 LEU H H 227 9.259 9.259 8.763 0.496 17911 9202 1 17 . 1 1 42 42 ASN N N 228 115.183 115.183 117.142 -1.959 17911 9203 1 17 . 1 1 42 42 ASN HA H 228 4.435 4.435 4.420 0.015 17911 9204 1 17 . 1 1 42 42 ASN CA C 228 56.961 56.961 57.332 -0.371 17911 9205 1 17 . 1 1 42 42 ASN CB C 228 38.497 38.497 38.147 0.350 17911 9206 1 17 . 1 1 42 42 ASN H H 228 8.598 8.598 8.468 0.130 17911 9207 1 17 . 1 1 43 43 ASP N N 229 118.746 118.746 120.309 -1.563 17911 9208 1 17 . 1 1 43 43 ASP HA H 229 4.367 4.367 4.435 -0.068 17911 9209 1 17 . 1 1 43 43 ASP CA C 229 57.387 57.387 57.166 0.221 17911 9210 1 17 . 1 1 43 43 ASP CB C 229 40.625 40.625 40.907 -0.282 17911 9211 1 17 . 1 1 43 43 ASP H H 229 7.847 7.847 7.966 -0.119 17911 9212 1 17 . 1 1 44 44 PHE N N 230 120.193 120.193 121.071 -0.878 17911 9213 1 17 . 1 1 44 44 PHE HA H 230 3.808 3.808 4.104 -0.296 17911 9214 1 17 . 1 1 44 44 PHE CA C 230 62.747 62.747 61.755 0.992 17911 9215 1 17 . 1 1 44 44 PHE CB C 230 38.753 38.753 39.187 -0.434 17911 9216 1 17 . 1 1 44 44 PHE H H 230 8.547 8.547 8.388 0.159 17911 9217 1 17 . 1 1 45 45 ASN N N 231 118.852 118.852 118.432 0.420 17911 9218 1 17 . 1 1 45 45 ASN HA H 231 4.472 4.472 4.215 0.257 17911 9219 1 17 . 1 1 45 45 ASN CA C 231 55.344 55.344 56.075 -0.731 17911 9220 1 17 . 1 1 45 45 ASN CB C 231 37.391 37.391 38.050 -0.659 17911 9221 1 17 . 1 1 45 45 ASN H H 231 8.727 8.727 8.517 0.210 17911 9222 1 17 . 1 1 46 46 LEU N N 232 120.221 120.221 120.860 -0.639 17911 9223 1 17 . 1 1 46 46 LEU HA H 232 4.065 4.065 3.957 0.108 17911 9224 1 17 . 1 1 46 46 LEU CA C 232 58.152 58.152 58.210 -0.058 17911 9225 1 17 . 1 1 46 46 LEU CB C 232 42.071 42.071 41.820 0.251 17911 9226 1 17 . 1 1 46 46 LEU H H 232 7.516 7.516 8.432 -0.916 17911 9227 1 17 . 1 1 47 47 VAL N N 233 119.649 119.649 118.775 0.874 17911 9228 1 17 . 1 1 47 47 VAL HA H 233 3.604 3.604 3.563 0.041 17911 9229 1 17 . 1 1 47 47 VAL CA C 233 65.864 65.864 65.935 -0.071 17911 9230 1 17 . 1 1 47 47 VAL CB C 233 31.575 31.575 30.866 0.709 17911 9231 1 17 . 1 1 47 47 VAL H H 233 6.987 6.987 7.901 -0.914 17911 9232 1 17 . 1 1 48 48 ALA N N 234 122.056 122.056 122.358 -0.302 17911 9233 1 17 . 1 1 48 48 ALA HA H 234 3.451 3.451 3.878 -0.427 17911 9234 1 17 . 1 1 48 48 ALA CA C 234 55.741 55.741 55.107 0.634 17911 9235 1 17 . 1 1 48 48 ALA CB C 234 16.971 16.971 18.154 -1.183 17911 9236 1 17 . 1 1 48 48 ALA H H 234 8.480 8.480 8.140 0.340 17911 9237 1 17 . 1 1 49 49 MET N N 235 114.180 114.180 117.922 -3.742 17911 9238 1 17 . 1 1 49 49 MET HA H 235 4.272 4.272 4.247 0.025 17911 9239 1 17 . 1 1 49 49 MET CA C 235 59.003 59.003 58.793 0.210 17911 9240 1 17 . 1 1 49 49 MET CB C 235 32.967 32.967 32.587 0.380 17911 9241 1 17 . 1 1 49 49 MET H H 235 7.950 7.950 8.314 -0.364 17911 9242 1 17 . 1 1 50 50 LYS N N 236 120.217 120.217 120.486 -0.269 17911 9243 1 17 . 1 1 50 50 LYS HA H 236 3.945 3.945 3.850 0.095 17911 9244 1 17 . 1 1 50 50 LYS CA C 236 58.378 58.378 58.687 -0.309 17911 9245 1 17 . 1 1 50 50 LYS CB C 236 31.833 31.833 32.319 -0.486 17911 9246 1 17 . 1 1 50 50 LYS H H 236 7.378 7.378 8.100 -0.722 17911 9247 1 17 . 1 1 51 51 TYR N N 237 115.853 115.853 114.891 0.962 17911 9248 1 17 . 1 1 51 51 TYR HA H 237 4.462 4.462 4.703 -0.241 17911 9249 1 17 . 1 1 51 51 TYR CA C 237 58.293 58.293 56.920 1.373 17911 9250 1 17 . 1 1 51 51 TYR CB C 237 38.668 38.668 38.076 0.592 17911 9251 1 17 . 1 1 51 51 TYR H H 237 7.392 7.392 7.412 -0.020 17911 9252 1 17 . 1 1 52 52 ASN N N 238 115.965 115.965 115.626 0.339 17911 9253 1 17 . 1 1 52 52 ASN HA H 238 4.403 4.403 4.346 0.057 17911 9254 1 17 . 1 1 52 52 ASN CA C 238 54.834 54.834 54.292 0.542 17911 9255 1 17 . 1 1 52 52 ASN CB C 238 36.881 36.881 37.475 -0.594 17911 9256 1 17 . 1 1 52 52 ASN H H 238 7.914 7.914 7.715 0.199 17911 9257 1 17 . 1 1 53 53 TYR N N 239 120.379 120.379 117.673 2.706 17911 9258 1 17 . 1 1 53 53 TYR HA H 239 4.675 4.675 4.810 -0.135 17911 9259 1 17 . 1 1 53 53 TYR CA C 239 57.387 57.387 57.991 -0.604 17911 9260 1 17 . 1 1 53 53 TYR CB C 239 37.788 37.788 39.123 -1.335 17911 9261 1 17 . 1 1 53 53 TYR H H 239 8.341 8.341 8.262 0.079 17911 9262 1 17 . 1 1 54 54 GLU N N 240 122.559 122.559 122.319 0.240 17911 9263 1 17 . 1 1 54 54 GLU HA H 240 4.317 4.317 4.346 -0.029 17911 9264 1 17 . 1 1 54 54 GLU CA C 240 54.579 54.579 55.809 -1.230 17911 9265 1 17 . 1 1 54 54 GLU CB C 240 30.802 30.802 29.893 0.909 17911 9266 1 17 . 1 1 54 54 GLU H H 240 8.114 8.114 8.855 -0.741 17911 9267 1 17 . 1 1 55 55 PRO HA H 241 4.314 4.314 4.425 -0.111 17911 9268 1 17 . 1 1 55 55 PRO CA C 241 62.973 62.973 62.708 0.265 17911 9269 1 17 . 1 1 55 55 PRO CB C 241 31.917 31.917 32.415 -0.498 17911 9270 1 17 . 1 1 56 56 LEU N N 242 124.468 124.468 121.082 3.386 17911 9271 1 17 . 1 1 56 56 LEU HA H 242 5.200 5.200 4.685 0.515 17911 9272 1 17 . 1 1 56 56 LEU CA C 242 53.747 53.747 53.881 -0.134 17911 9273 1 17 . 1 1 56 56 LEU CB C 242 45.560 45.560 46.347 -0.787 17911 9274 1 17 . 1 1 56 56 LEU H H 242 9.650 9.650 9.201 0.449 17911 9275 1 17 . 1 1 57 57 THR N N 243 116.700 116.700 113.701 2.999 17911 9276 1 17 . 1 1 57 57 THR HA H 243 4.664 4.664 4.893 -0.229 17911 9277 1 17 . 1 1 57 57 THR CA C 243 59.429 59.429 59.881 -0.452 17911 9278 1 17 . 1 1 57 57 THR CB C 243 71.851 71.851 71.696 0.155 17911 9279 1 17 . 1 1 57 57 THR H H 243 9.279 9.279 8.546 0.733 17911 9280 1 17 . 1 1 58 58 GLN N N 244 119.764 119.764 121.265 -1.501 17911 9281 1 17 . 1 1 58 58 GLN HA H 244 3.827 3.827 4.024 -0.197 17911 9282 1 17 . 1 1 58 58 GLN CA C 244 58.130 58.130 59.230 -1.100 17911 9283 1 17 . 1 1 58 58 GLN CB C 244 27.777 27.777 28.260 -0.483 17911 9284 1 17 . 1 1 58 58 GLN H H 244 8.959 8.959 9.032 -0.073 17911 9285 1 17 . 1 1 59 59 ASP N N 245 117.059 117.059 118.452 -1.393 17911 9286 1 17 . 1 1 59 59 ASP HA H 245 4.325 4.325 4.358 -0.033 17911 9287 1 17 . 1 1 59 59 ASP CA C 245 57.301 57.301 56.939 0.362 17911 9288 1 17 . 1 1 59 59 ASP CB C 245 40.029 40.029 40.581 -0.552 17911 9289 1 17 . 1 1 59 59 ASP H H 245 7.838 7.838 8.779 -0.941 17911 9290 1 17 . 1 1 60 60 HIS N N 246 119.076 119.076 118.638 0.438 17911 9291 1 17 . 1 1 60 60 HIS HA H 246 4.296 4.296 4.428 -0.132 17911 9292 1 17 . 1 1 60 60 HIS CA C 246 58.645 58.645 59.136 -0.491 17911 9293 1 17 . 1 1 60 60 HIS CB C 246 32.864 32.864 30.108 2.756 17911 9294 1 17 . 1 1 60 60 HIS H H 246 7.333 7.333 7.478 -0.145 17911 9295 1 17 . 1 1 61 61 VAL N N 247 118.215 118.215 120.056 -1.841 17911 9296 1 17 . 1 1 61 61 VAL HA H 247 3.400 3.400 3.611 -0.211 17911 9297 1 17 . 1 1 61 61 VAL CA C 247 67.257 67.257 66.570 0.688 17911 9298 1 17 . 1 1 61 61 VAL CB C 247 31.010 31.010 31.791 -0.781 17911 9299 1 17 . 1 1 61 61 VAL H H 247 7.565 7.565 8.442 -0.877 17911 9300 1 17 . 1 1 62 62 ASP N N 248 119.651 119.651 120.098 -0.447 17911 9301 1 17 . 1 1 62 62 ASP HA H 248 4.358 4.358 4.333 0.025 17911 9302 1 17 . 1 1 62 62 ASP CA C 248 57.557 57.557 57.468 0.089 17911 9303 1 17 . 1 1 62 62 ASP CB C 248 40.027 40.027 40.870 -0.843 17911 9304 1 17 . 1 1 62 62 ASP H H 248 8.142 8.142 8.270 -0.128 17911 9305 1 17 . 1 1 63 63 ILE N N 249 123.545 123.545 119.224 4.321 17911 9306 1 17 . 1 1 63 63 ILE HA H 249 3.756 3.756 3.903 -0.147 17911 9307 1 17 . 1 1 63 63 ILE CA C 249 64.832 64.832 63.986 0.846 17911 9308 1 17 . 1 1 63 63 ILE CB C 249 37.817 37.817 37.981 -0.164 17911 9309 1 17 . 1 1 63 63 ILE H H 249 8.017 8.017 7.403 0.614 17911 9310 1 17 . 1 1 64 64 LEU N N 250 117.125 117.125 118.099 -0.974 17911 9311 1 17 . 1 1 64 64 LEU HA H 250 4.094 4.094 4.220 -0.126 17911 9312 1 17 . 1 1 64 64 LEU CA C 250 55.004 55.004 55.257 -0.253 17911 9313 1 17 . 1 1 64 64 LEU CB C 250 42.662 42.662 40.956 1.706 17911 9314 1 17 . 1 1 64 64 LEU H H 250 7.217 7.217 7.788 -0.571 17911 9315 1 17 . 1 1 65 65 GLY N N 251 108.388 108.388 109.176 -0.788 17911 9316 1 17 . 1 1 65 65 GLY CA C 251 48.708 48.708 48.545 0.163 17911 9317 1 17 . 1 1 65 65 GLY H H 251 7.794 7.794 8.339 -0.545 17911 9318 1 17 . 1 1 66 66 PRO HA H 252 4.243 4.243 4.141 0.102 17911 9319 1 17 . 1 1 66 66 PRO CA C 252 66.036 66.036 65.516 0.520 17911 9320 1 17 . 1 1 66 66 PRO CB C 252 32.172 32.172 31.221 0.951 17911 9321 1 17 . 1 1 67 67 LEU N N 253 117.852 117.852 117.218 0.634 17911 9322 1 17 . 1 1 67 67 LEU HA H 253 3.866 3.866 3.877 -0.011 17911 9323 1 17 . 1 1 67 67 LEU CA C 253 57.301 57.301 57.528 -0.227 17911 9324 1 17 . 1 1 67 67 LEU CB C 253 40.539 40.539 40.892 -0.353 17911 9325 1 17 . 1 1 67 67 LEU H H 253 7.344 7.344 7.542 -0.198 17911 9326 1 17 . 1 1 68 68 SER N N 254 117.191 117.191 115.823 1.368 17911 9327 1 17 . 1 1 68 68 SER HA H 254 4.154 4.154 4.318 -0.164 17911 9328 1 17 . 1 1 68 68 SER CA C 254 60.705 60.705 61.263 -0.558 17911 9329 1 17 . 1 1 68 68 SER CB C 254 63.286 63.286 63.055 0.231 17911 9330 1 17 . 1 1 68 68 SER H H 254 7.883 7.883 8.063 -0.180 17911 9331 1 17 . 1 1 69 69 ALA N N 255 123.895 123.895 124.129 -0.234 17911 9332 1 17 . 1 1 69 69 ALA HA H 255 4.078 4.078 4.109 -0.031 17911 9333 1 17 . 1 1 69 69 ALA CA C 255 54.749 54.749 54.546 0.203 17911 9334 1 17 . 1 1 69 69 ALA CB C 255 17.992 17.992 18.178 -0.186 17911 9335 1 17 . 1 1 69 69 ALA H H 255 8.592 8.592 7.662 0.930 17911 9336 1 17 . 1 1 70 70 GLN N N 256 116.528 116.528 115.991 0.537 17911 9337 1 17 . 1 1 70 70 GLN HA H 256 4.011 4.011 4.135 -0.124 17911 9338 1 17 . 1 1 70 70 GLN CA C 256 58.634 58.634 57.928 0.706 17911 9339 1 17 . 1 1 70 70 GLN CB C 256 28.939 28.939 29.090 -0.151 17911 9340 1 17 . 1 1 70 70 GLN H H 256 7.744 7.744 8.119 -0.375 17911 9341 1 17 . 1 1 71 71 THR N N 257 103.056 103.056 106.286 -3.230 17911 9342 1 17 . 1 1 71 71 THR HA H 257 4.277 4.277 4.563 -0.286 17911 9343 1 17 . 1 1 71 71 THR CA C 257 62.236 62.236 61.709 0.527 17911 9344 1 17 . 1 1 71 71 THR CB C 257 72.277 72.277 71.395 0.882 17911 9345 1 17 . 1 1 71 71 THR H H 257 7.401 7.401 7.657 -0.256 17911 9346 1 17 . 1 1 72 72 GLY N N 258 111.697 111.697 111.749 -0.052 17911 9347 1 17 . 1 1 72 72 GLY CA C 258 45.900 45.900 45.550 0.350 17911 9348 1 17 . 1 1 72 72 GLY H H 258 8.113 8.113 8.224 -0.111 17911 9349 1 17 . 1 1 73 73 ILE N N 259 120.078 120.078 119.701 0.377 17911 9350 1 17 . 1 1 73 73 ILE HA H 259 4.451 4.451 4.437 0.014 17911 9351 1 17 . 1 1 73 73 ILE CA C 259 58.903 58.903 60.044 -1.141 17911 9352 1 17 . 1 1 73 73 ILE CB C 259 38.497 38.497 39.757 -1.260 17911 9353 1 17 . 1 1 73 73 ILE H H 259 7.598 7.598 7.670 -0.072 17911 9354 1 17 . 1 1 74 74 ALA N N 260 107.454 107.454 131.008 -23.554 17911 9355 1 17 . 1 1 74 74 ALA HA H 260 4.178 4.178 4.273 -0.095 17911 9356 1 17 . 1 1 74 74 ALA CA C 260 52.622 52.622 52.588 0.034 17911 9357 1 17 . 1 1 74 74 ALA CB C 260 18.417 18.417 19.439 -1.022 17911 9358 1 17 . 1 1 74 74 ALA H H 260 9.477 9.477 8.593 0.884 17911 9359 1 17 . 1 1 75 75 VAL N N 261 124.569 124.569 121.996 2.573 17911 9360 1 17 . 1 1 75 75 VAL HA H 261 4.095 4.095 3.878 0.217 17911 9361 1 17 . 1 1 75 75 VAL CA C 261 66.637 66.637 65.730 0.907 17911 9362 1 17 . 1 1 75 75 VAL CB C 261 31.575 31.575 31.447 0.129 17911 9363 1 17 . 1 1 75 75 VAL H H 261 8.927 8.927 8.738 0.190 17911 9364 1 17 . 1 1 76 76 LEU N N 262 117.285 117.285 118.747 -1.462 17911 9365 1 17 . 1 1 76 76 LEU HA H 262 3.827 3.827 3.951 -0.124 17911 9366 1 17 . 1 1 76 76 LEU CA C 262 58.067 58.067 57.445 0.622 17911 9367 1 17 . 1 1 76 76 LEU CB C 262 39.774 39.774 40.864 -1.091 17911 9368 1 17 . 1 1 76 76 LEU H H 262 8.949 8.949 8.075 0.874 17911 9369 1 17 . 1 1 77 77 ASP N N 263 120.854 120.854 121.425 -0.571 17911 9370 1 17 . 1 1 77 77 ASP HA H 263 4.639 4.639 4.684 -0.045 17911 9371 1 17 . 1 1 77 77 ASP CA C 263 57.131 57.131 56.663 0.468 17911 9372 1 17 . 1 1 77 77 ASP CB C 263 39.178 39.178 40.937 -1.759 17911 9373 1 17 . 1 1 77 77 ASP H H 263 7.011 7.011 7.876 -0.865 17911 9374 1 17 . 1 1 78 78 MET N N 264 124.661 124.661 120.100 4.561 17911 9375 1 17 . 1 1 78 78 MET HA H 264 4.343 4.343 4.099 0.244 17911 9376 1 17 . 1 1 78 78 MET CA C 264 57.131 57.131 57.288 -0.157 17911 9377 1 17 . 1 1 78 78 MET CB C 264 31.172 31.172 31.905 -0.733 17911 9378 1 17 . 1 1 78 78 MET H H 264 8.025 8.025 7.701 0.324 17911 9379 1 17 . 1 1 79 79 CYS N N 265 117.740 117.740 118.289 -0.549 17911 9380 1 17 . 1 1 79 79 CYS HA H 265 3.534 3.534 3.676 -0.142 17911 9381 1 17 . 1 1 79 79 CYS CA C 265 64.317 64.317 63.709 0.608 17911 9382 1 17 . 1 1 79 79 CYS CB C 265 25.564 25.564 25.918 -0.354 17911 9383 1 17 . 1 1 79 79 CYS H H 265 8.703 8.703 8.593 0.110 17911 9384 1 17 . 1 1 80 80 ALA N N 266 123.346 123.346 121.805 1.541 17911 9385 1 17 . 1 1 80 80 ALA HA H 266 3.884 3.884 4.078 -0.194 17911 9386 1 17 . 1 1 80 80 ALA CA C 266 55.174 55.174 55.082 0.092 17911 9387 1 17 . 1 1 80 80 ALA CB C 266 17.911 17.911 18.167 -0.256 17911 9388 1 17 . 1 1 80 80 ALA H H 266 7.745 7.745 8.212 -0.467 17911 9389 1 17 . 1 1 81 81 ALA N N 267 122.668 122.668 123.020 -0.352 17911 9390 1 17 . 1 1 81 81 ALA HA H 267 4.236 4.236 4.302 -0.066 17911 9391 1 17 . 1 1 81 81 ALA CA C 267 54.778 54.778 54.778 0.000 17911 9392 1 17 . 1 1 81 81 ALA CB C 267 18.247 18.247 18.533 -0.286 17911 9393 1 17 . 1 1 81 81 ALA H H 267 7.513 7.513 7.861 -0.348 17911 9394 1 17 . 1 1 82 82 LEU N N 268 119.844 119.844 120.363 -0.519 17911 9395 1 17 . 1 1 82 82 LEU HA H 268 3.924 3.924 3.781 0.143 17911 9396 1 17 . 1 1 82 82 LEU CA C 268 57.613 57.613 57.941 -0.328 17911 9397 1 17 . 1 1 82 82 LEU CB C 268 40.681 40.681 41.930 -1.249 17911 9398 1 17 . 1 1 82 82 LEU H H 268 8.304 8.304 8.355 -0.051 17911 9399 1 17 . 1 1 83 83 LYS N N 269 119.140 119.140 119.155 -0.015 17911 9400 1 17 . 1 1 83 83 LYS HA H 269 3.629 3.629 3.826 -0.197 17911 9401 1 17 . 1 1 83 83 LYS CA C 269 60.279 60.279 60.205 0.074 17911 9402 1 17 . 1 1 83 83 LYS CB C 269 33.052 33.052 32.403 0.649 17911 9403 1 17 . 1 1 83 83 LYS H H 269 8.881 8.881 8.623 0.258 17911 9404 1 17 . 1 1 84 84 GLU N N 270 116.647 116.647 120.116 -3.469 17911 9405 1 17 . 1 1 84 84 GLU HA H 270 4.085 4.085 4.249 -0.164 17911 9406 1 17 . 1 1 84 84 GLU CA C 270 58.903 58.903 59.418 -0.515 17911 9407 1 17 . 1 1 84 84 GLU CB C 270 29.223 29.223 29.609 -0.386 17911 9408 1 17 . 1 1 84 84 GLU H H 270 7.107 7.107 7.866 -0.759 17911 9409 1 17 . 1 1 85 85 LEU N N 271 120.657 120.657 118.626 2.031 17911 9410 1 17 . 1 1 85 85 LEU HA H 271 3.992 3.992 4.090 -0.098 17911 9411 1 17 . 1 1 85 85 LEU CA C 271 57.872 57.872 57.492 0.380 17911 9412 1 17 . 1 1 85 85 LEU CB C 271 42.326 42.326 41.678 0.648 17911 9413 1 17 . 1 1 85 85 LEU H H 271 7.757 7.757 8.160 -0.403 17911 9414 1 17 . 1 1 86 86 LEU N N 272 119.651 119.651 118.354 1.297 17911 9415 1 17 . 1 1 86 86 LEU HA H 272 3.535 3.535 3.761 -0.226 17911 9416 1 17 . 1 1 86 86 LEU CA C 272 57.356 57.356 56.629 0.727 17911 9417 1 17 . 1 1 86 86 LEU CB C 272 40.880 40.880 41.566 -0.685 17911 9418 1 17 . 1 1 86 86 LEU H H 272 8.336 8.336 7.557 0.779 17911 9419 1 17 . 1 1 87 87 GLN N N 273 113.087 113.087 117.052 -3.965 17911 9420 1 17 . 1 1 87 87 GLN HA H 273 4.099 4.099 4.057 0.042 17911 9421 1 17 . 1 1 87 87 GLN CA C 273 58.387 58.387 58.434 -0.047 17911 9422 1 17 . 1 1 87 87 GLN CB C 273 30.159 30.159 29.758 0.401 17911 9423 1 17 . 1 1 87 87 GLN H H 273 7.422 7.422 8.299 -0.877 17911 9424 1 17 . 1 1 88 88 ASN N N 274 113.925 113.925 112.202 1.723 17911 9425 1 17 . 1 1 88 88 ASN HA H 274 4.921 4.921 4.823 0.098 17911 9426 1 17 . 1 1 88 88 ASN CA C 274 53.747 53.747 52.957 0.790 17911 9427 1 17 . 1 1 88 88 ASN CB C 274 40.625 40.625 40.658 -0.033 17911 9428 1 17 . 1 1 88 88 ASN H H 274 8.388 8.388 8.028 0.360 17911 9429 1 17 . 1 1 89 89 GLY N N 275 109.040 109.040 109.206 -0.166 17911 9430 1 17 . 1 1 89 89 GLY CA C 275 44.709 44.709 45.619 -0.910 17911 9431 1 17 . 1 1 89 89 GLY H H 275 7.698 7.698 7.463 0.235 17911 9432 1 17 . 1 1 90 90 MET N N 276 115.183 115.183 116.261 -1.078 17911 9433 1 17 . 1 1 90 90 MET HA H 276 4.434 4.434 4.681 -0.247 17911 9434 1 17 . 1 1 90 90 MET CA C 276 56.791 56.791 54.427 2.364 17911 9435 1 17 . 1 1 90 90 MET CB C 276 33.637 33.637 33.042 0.595 17911 9436 1 17 . 1 1 90 90 MET H H 276 8.599 8.599 8.423 0.176 17911 9437 1 17 . 1 1 91 91 ASN N N 277 118.020 118.020 121.703 -3.683 17911 9438 1 17 . 1 1 91 91 ASN HA H 277 4.301 4.301 4.494 -0.193 17911 9439 1 17 . 1 1 91 91 ASN CA C 277 53.983 53.983 54.915 -0.932 17911 9440 1 17 . 1 1 91 91 ASN CB C 277 37.987 37.987 38.366 -0.379 17911 9441 1 17 . 1 1 91 91 ASN H H 277 9.033 9.033 8.429 0.604 17911 9442 1 17 . 1 1 92 92 GLY N N 278 104.906 104.906 111.697 -6.791 17911 9443 1 17 . 1 1 92 92 GLY CA C 278 45.645 45.645 44.993 0.652 17911 9444 1 17 . 1 1 92 92 GLY H H 278 8.538 8.538 8.786 -0.248 17911 9445 1 17 . 1 1 93 93 ARG N N 279 120.056 120.056 119.635 0.421 17911 9446 1 17 . 1 1 93 93 ARG HA H 279 4.237 4.237 4.796 -0.559 17911 9447 1 17 . 1 1 93 93 ARG CA C 279 55.344 55.344 54.741 0.603 17911 9448 1 17 . 1 1 93 93 ARG CB C 279 31.491 31.491 32.624 -1.133 17911 9449 1 17 . 1 1 93 93 ARG H H 279 7.257 7.257 7.734 -0.477 17911 9450 1 17 . 1 1 94 94 THR N N 280 106.223 106.223 111.571 -5.348 17911 9451 1 17 . 1 1 94 94 THR HA H 280 5.028 5.028 5.318 -0.290 17911 9452 1 17 . 1 1 94 94 THR CA C 280 59.684 59.684 60.944 -1.260 17911 9453 1 17 . 1 1 94 94 THR CB C 280 72.787 72.787 71.621 1.166 17911 9454 1 17 . 1 1 94 94 THR H H 280 7.726 7.726 8.216 -0.490 17911 9455 1 17 . 1 1 95 95 ILE N N 281 121.214 121.214 119.826 1.388 17911 9456 1 17 . 1 1 95 95 ILE HA H 281 4.301 4.301 4.640 -0.339 17911 9457 1 17 . 1 1 95 95 ILE CA C 281 62.066 62.066 60.619 1.447 17911 9458 1 17 . 1 1 95 95 ILE CB C 281 40.539 40.539 42.015 -1.476 17911 9459 1 17 . 1 1 95 95 ILE H H 281 8.761 8.761 8.877 -0.116 17911 9460 1 17 . 1 1 96 96 LEU N N 282 128.347 128.347 124.933 3.414 17911 9461 1 17 . 1 1 96 96 LEU HA H 282 3.850 3.850 3.891 -0.041 17911 9462 1 17 . 1 1 96 96 LEU CA C 282 55.344 55.344 55.757 -0.413 17911 9463 1 17 . 1 1 96 96 LEU CB C 282 40.539 40.539 39.984 0.555 17911 9464 1 17 . 1 1 96 96 LEU H H 282 9.905 9.905 9.085 0.820 17911 9465 1 17 . 1 1 97 97 GLY N N 283 103.322 103.322 103.397 -0.075 17911 9466 1 17 . 1 1 97 97 GLY CA C 283 45.645 45.645 44.944 0.702 17911 9467 1 17 . 1 1 97 97 GLY H H 283 8.937 8.937 8.598 0.339 17911 9468 1 17 . 1 1 98 98 SER N N 284 116.619 116.619 115.625 0.994 17911 9469 1 17 . 1 1 98 98 SER HA H 284 4.950 4.950 4.999 -0.049 17911 9470 1 17 . 1 1 98 98 SER CA C 284 56.961 56.961 56.048 0.913 17911 9471 1 17 . 1 1 98 98 SER CB C 284 65.044 65.044 64.692 0.352 17911 9472 1 17 . 1 1 98 98 SER H H 284 8.612 8.612 8.093 0.519 17911 9473 1 17 . 1 1 99 99 THR N N 285 114.513 114.513 116.362 -1.849 17911 9474 1 17 . 1 1 99 99 THR HA H 285 4.598 4.598 4.610 -0.012 17911 9475 1 17 . 1 1 99 99 THR CA C 285 61.739 61.739 62.908 -1.169 17911 9476 1 17 . 1 1 99 99 THR CB C 285 69.214 69.214 69.040 0.174 17911 9477 1 17 . 1 1 99 99 THR H H 285 8.601 8.601 8.690 -0.089 17911 9478 1 17 . 1 1 100 100 ILE N N 286 117.511 117.511 116.476 1.035 17911 9479 1 17 . 1 1 100 100 ILE HA H 286 4.496 4.496 4.625 -0.129 17911 9480 1 17 . 1 1 100 100 ILE CA C 286 59.173 59.173 59.147 0.026 17911 9481 1 17 . 1 1 100 100 ILE CB C 286 41.887 41.887 41.068 0.819 17911 9482 1 17 . 1 1 100 100 ILE H H 286 7.931 7.931 7.436 0.495 17911 9483 1 17 . 1 1 101 101 LEU N N 287 121.101 121.101 120.216 0.885 17911 9484 1 17 . 1 1 101 101 LEU HA H 287 4.157 4.157 3.919 0.238 17911 9485 1 17 . 1 1 101 101 LEU CA C 287 54.520 54.520 54.995 -0.475 17911 9486 1 17 . 1 1 101 101 LEU CB C 287 40.083 40.083 42.459 -2.376 17911 9487 1 17 . 1 1 101 101 LEU H H 287 8.025 8.025 8.163 -0.138 17911 9488 1 17 . 1 1 102 102 GLU HA H 288 3.720 3.720 4.258 -0.538 17911 9489 1 17 . 1 1 102 102 GLU CA C 288 55.770 55.770 55.240 0.530 17911 9490 1 17 . 1 1 102 102 GLU CB C 288 29.904 29.904 33.426 -3.522 17911 9491 1 17 . 1 1 103 103 ASP N N 289 121.287 121.287 120.561 0.726 17911 9492 1 17 . 1 1 103 103 ASP HA H 289 4.513 4.513 4.673 -0.160 17911 9493 1 17 . 1 1 103 103 ASP CA C 289 52.281 52.281 54.138 -1.857 17911 9494 1 17 . 1 1 103 103 ASP CB C 289 42.922 42.922 41.866 1.056 17911 9495 1 17 . 1 1 103 103 ASP H H 289 8.014 8.014 8.566 -0.552 17911 9496 1 17 . 1 1 104 104 GLU N N 290 118.245 118.245 120.415 -2.170 17911 9497 1 17 . 1 1 104 104 GLU HA H 290 3.904 3.904 4.015 -0.111 17911 9498 1 17 . 1 1 104 104 GLU CA C 290 57.614 57.614 58.672 -1.058 17911 9499 1 17 . 1 1 104 104 GLU CB C 290 30.499 30.499 29.822 0.677 17911 9500 1 17 . 1 1 104 104 GLU H H 290 7.432 7.432 8.466 -1.034 17911 9501 1 17 . 1 1 105 105 PHE N N 291 120.606 120.606 118.334 2.272 17911 9502 1 17 . 1 1 105 105 PHE HA H 291 4.838 4.838 4.580 0.258 17911 9503 1 17 . 1 1 105 105 PHE CA C 291 56.536 56.536 57.950 -1.415 17911 9504 1 17 . 1 1 105 105 PHE CB C 291 39.774 39.774 39.698 0.076 17911 9505 1 17 . 1 1 105 105 PHE H H 291 8.835 8.835 8.043 0.792 17911 9506 1 17 . 1 1 106 106 THR N N 292 111.349 111.349 116.366 -5.017 17911 9507 1 17 . 1 1 106 106 THR HA H 292 4.670 4.670 4.547 0.123 17911 9508 1 17 . 1 1 106 106 THR CA C 292 59.344 59.344 59.786 -0.442 17911 9509 1 17 . 1 1 106 106 THR CB C 292 69.299 69.299 69.056 0.243 17911 9510 1 17 . 1 1 106 106 THR H H 292 8.757 8.757 8.250 0.507 17911 9511 1 17 . 1 1 107 107 PRO HA H 293 3.988 3.988 4.622 -0.634 17911 9512 1 17 . 1 1 107 107 PRO CA C 293 65.606 65.606 62.827 2.779 17911 9513 1 17 . 1 1 107 107 PRO CB C 293 31.321 31.321 32.527 -1.206 17911 9514 1 17 . 1 1 108 108 PHE N N 294 114.627 114.627 118.395 -3.768 17911 9515 1 17 . 1 1 108 108 PHE HA H 294 4.201 4.201 4.109 0.092 17911 9516 1 17 . 1 1 108 108 PHE CA C 294 59.676 59.676 58.746 0.930 17911 9517 1 17 . 1 1 108 108 PHE CB C 294 38.582 38.582 38.895 -0.313 17911 9518 1 17 . 1 1 108 108 PHE H H 294 7.310 7.310 8.516 -1.206 17911 9519 1 17 . 1 1 109 109 ASP N N 295 120.210 120.210 123.010 -2.800 17911 9520 1 17 . 1 1 109 109 ASP HA H 295 4.404 4.404 3.885 0.519 17911 9521 1 17 . 1 1 109 109 ASP CA C 295 57.098 57.098 54.813 2.285 17911 9522 1 17 . 1 1 109 109 ASP CB C 295 41.475 41.475 39.999 1.476 17911 9523 1 17 . 1 1 109 109 ASP H H 295 7.837 7.837 8.458 -0.621 17911 9524 1 17 . 1 1 110 110 VAL N N 296 119.070 119.070 112.450 6.620 17911 9525 1 17 . 1 1 110 110 VAL HA H 296 3.602 3.602 3.864 -0.262 17911 9526 1 17 . 1 1 110 110 VAL CA C 296 66.491 66.491 64.526 1.965 17911 9527 1 17 . 1 1 110 110 VAL CB C 296 31.605 31.605 31.287 0.318 17911 9528 1 17 . 1 1 110 110 VAL H H 296 7.945 7.945 8.319 -0.374 17911 9529 1 17 . 1 1 111 111 VAL N N 297 119.540 119.540 112.278 7.262 17911 9530 1 17 . 1 1 111 111 VAL HA H 297 3.601 3.601 4.312 -0.711 17911 9531 1 17 . 1 1 111 111 VAL CA C 297 66.379 66.379 61.342 5.037 17911 9532 1 17 . 1 1 111 111 VAL CB C 297 31.605 31.605 32.306 -0.701 17911 9533 1 17 . 1 1 111 111 VAL H H 297 8.109 8.109 7.331 0.778 17911 9534 1 17 . 1 1 112 112 ARG N N 298 119.680 119.680 117.120 2.560 17911 9535 1 17 . 1 1 112 112 ARG HA H 298 4.010 4.010 4.065 -0.055 17911 9536 1 17 . 1 1 112 112 ARG CA C 298 58.634 58.634 57.707 0.927 17911 9537 1 17 . 1 1 112 112 ARG CB C 298 30.028 30.028 27.842 2.186 17911 9538 1 17 . 1 1 112 112 ARG H H 298 7.710 7.710 8.173 -0.463 17911 9539 1 17 . 1 1 113 113 GLN N N 299 117.786 117.786 114.704 3.082 17911 9540 1 17 . 1 1 113 113 GLN HA H 299 4.158 4.158 4.654 -0.496 17911 9541 1 17 . 1 1 113 113 GLN CA C 299 57.557 57.557 53.987 3.570 17911 9542 1 17 . 1 1 113 113 GLN CB C 299 29.308 29.308 33.540 -4.232 17911 9543 1 17 . 1 1 113 113 GLN H H 299 8.033 8.033 7.681 0.352 17911 9544 1 17 . 1 1 114 114 CYS N N 300 115.786 115.786 115.698 0.088 17911 9545 1 17 . 1 1 114 114 CYS HA H 300 4.470 4.470 4.844 -0.374 17911 9546 1 17 . 1 1 114 114 CYS CA C 300 59.934 59.934 55.881 4.053 17911 9547 1 17 . 1 1 114 114 CYS CB C 300 28.293 28.293 31.087 -2.793 17911 9548 1 17 . 1 1 114 114 CYS H H 300 8.071 8.071 8.431 -0.360 17911 9549 1 17 . 1 1 115 115 SER N N 301 116.258 116.258 117.138 -0.880 17911 9550 1 17 . 1 1 115 115 SER HA H 301 4.407 4.407 4.336 0.071 17911 9551 1 17 . 1 1 115 115 SER CA C 301 59.485 59.485 60.283 -0.798 17911 9552 1 17 . 1 1 115 115 SER CB C 301 63.286 63.286 62.711 0.575 17911 9553 1 17 . 1 1 115 115 SER H H 301 7.883 7.883 8.849 -0.966 17911 9554 1 17 . 1 1 116 116 GLY N N 302 110.709 110.709 108.413 2.296 17911 9555 1 17 . 1 1 116 116 GLY CA C 302 45.239 45.239 44.275 0.964 17911 9556 1 17 . 1 1 116 116 GLY H H 302 8.355 8.355 8.226 0.129 17911 9557 1 17 . 1 1 117 117 VAL N N 303 119.189 119.189 115.509 3.680 17911 9558 1 17 . 1 1 117 117 VAL HA H 303 4.057 4.057 3.595 0.462 17911 9559 1 17 . 1 1 117 117 VAL CA C 303 62.236 62.236 64.218 -1.982 17911 9560 1 17 . 1 1 117 117 VAL CB C 303 32.626 32.626 30.356 2.270 17911 9561 1 17 . 1 1 117 117 VAL H H 303 7.710 7.710 7.699 0.011 17911 9562 1 17 . 1 1 118 118 THR N N 304 118.009 118.009 112.619 5.390 17911 9563 1 17 . 1 1 118 118 THR HA H 304 4.279 4.279 4.034 0.245 17911 9564 1 17 . 1 1 118 118 THR CA C 304 61.556 61.556 64.299 -2.743 17911 9565 1 17 . 1 1 118 118 THR CB C 304 69.894 69.894 69.115 0.779 17911 9566 1 17 . 1 1 118 118 THR H H 304 8.109 8.109 7.697 0.412 17911 9567 1 17 . 1 1 119 119 PHE N N 305 123.287 123.287 120.693 2.594 17911 9568 1 17 . 1 1 119 119 PHE HA H 305 4.605 4.605 4.521 0.084 17911 9569 1 17 . 1 1 119 119 PHE CA C 305 57.727 57.727 59.097 -1.370 17911 9570 1 17 . 1 1 119 119 PHE CB C 305 39.859 39.859 39.152 0.707 17911 9571 1 17 . 1 1 119 119 PHE H H 305 8.298 8.298 8.163 0.135 17911 9572 1 18 . 1 1 2 2 ARG N N 188 121.886 121.886 118.599 3.287 17911 9573 1 18 . 1 1 2 2 ARG HA H 188 4.242 4.242 3.774 0.468 17911 9574 1 18 . 1 1 2 2 ARG CA C 188 56.487 56.487 58.761 -2.274 17911 9575 1 18 . 1 1 2 2 ARG CB C 188 30.857 30.857 29.072 1.785 17911 9576 1 18 . 1 1 2 2 ARG H H 188 8.475 8.475 8.679 -0.204 17911 9577 1 18 . 1 1 3 3 GLN N N 189 121.336 121.336 117.692 3.644 17911 9578 1 18 . 1 1 3 3 GLN HA H 189 4.302 4.302 4.152 0.150 17911 9579 1 18 . 1 1 3 3 GLN CA C 189 56.366 56.366 57.525 -1.159 17911 9580 1 18 . 1 1 3 3 GLN CB C 189 29.254 29.254 28.826 0.428 17911 9581 1 18 . 1 1 3 3 GLN H H 189 8.553 8.553 8.286 0.267 17911 9582 1 18 . 1 1 4 4 THR N N 190 115.273 115.273 109.608 5.665 17911 9583 1 18 . 1 1 4 4 THR HA H 190 4.275 4.275 4.278 -0.003 17911 9584 1 18 . 1 1 4 4 THR CA C 190 62.066 62.066 62.134 -0.068 17911 9585 1 18 . 1 1 4 4 THR CB C 190 69.894 69.894 68.996 0.898 17911 9586 1 18 . 1 1 4 4 THR H H 190 8.123 8.123 7.501 0.622 17911 9587 1 18 . 1 1 5 5 ALA N N 191 126.029 126.029 125.376 0.653 17911 9588 1 18 . 1 1 5 5 ALA HA H 191 4.247 4.247 4.266 -0.019 17911 9589 1 18 . 1 1 5 5 ALA CA C 191 52.537 52.537 53.042 -0.505 17911 9590 1 18 . 1 1 5 5 ALA CB C 191 19.183 19.183 19.591 -0.408 17911 9591 1 18 . 1 1 5 5 ALA H H 191 8.284 8.284 7.483 0.801 17911 9592 1 18 . 1 1 6 6 GLN N N 192 119.614 119.614 119.442 0.172 17911 9593 1 18 . 1 1 6 6 GLN HA H 192 4.217 4.217 4.439 -0.222 17911 9594 1 18 . 1 1 6 6 GLN CA C 192 55.685 55.685 55.004 0.681 17911 9595 1 18 . 1 1 6 6 GLN CB C 192 29.513 29.513 30.497 -0.984 17911 9596 1 18 . 1 1 6 6 GLN H H 192 8.287 8.287 8.222 0.065 17911 9597 1 18 . 1 1 7 7 ALA N N 193 125.571 125.571 124.675 0.896 17911 9598 1 18 . 1 1 7 7 ALA HA H 193 4.246 4.246 4.442 -0.196 17911 9599 1 18 . 1 1 7 7 ALA CA C 193 52.537 52.537 51.751 0.786 17911 9600 1 18 . 1 1 7 7 ALA CB C 193 19.268 19.268 19.598 -0.330 17911 9601 1 18 . 1 1 7 7 ALA H H 193 8.271 8.271 8.357 -0.086 17911 9602 1 18 . 1 1 8 8 ALA N N 194 123.461 123.461 122.686 0.775 17911 9603 1 18 . 1 1 8 8 ALA HA H 194 4.250 4.250 4.149 0.101 17911 9604 1 18 . 1 1 8 8 ALA CA C 194 52.593 52.593 53.711 -1.118 17911 9605 1 18 . 1 1 8 8 ALA CB C 194 19.324 19.324 18.970 0.354 17911 9606 1 18 . 1 1 8 8 ALA H H 194 8.275 8.275 8.372 -0.097 17911 9607 1 18 . 1 1 9 9 GLY N N 195 108.312 108.312 107.540 0.772 17911 9608 1 18 . 1 1 9 9 GLY CA C 195 45.219 45.219 46.615 -1.396 17911 9609 1 18 . 1 1 9 9 GLY H H 195 8.328 8.328 8.511 -0.183 17911 9610 1 18 . 1 1 10 10 THR N N 196 112.710 112.710 110.983 1.727 17911 9611 1 18 . 1 1 10 10 THR HA H 196 4.334 4.334 4.165 0.169 17911 9612 1 18 . 1 1 10 10 THR CA C 196 61.471 61.471 63.861 -2.390 17911 9613 1 18 . 1 1 10 10 THR CB C 196 69.894 69.894 68.959 0.935 17911 9614 1 18 . 1 1 10 10 THR H H 196 7.998 7.998 7.383 0.615 17911 9615 1 18 . 1 1 11 11 ASP N N 197 122.862 122.862 121.459 1.403 17911 9616 1 18 . 1 1 11 11 ASP HA H 197 4.609 4.609 4.876 -0.267 17911 9617 1 18 . 1 1 11 11 ASP CA C 197 54.262 54.262 53.681 0.581 17911 9618 1 18 . 1 1 11 11 ASP CB C 197 41.135 41.135 41.743 -0.608 17911 9619 1 18 . 1 1 11 11 ASP H H 197 8.404 8.404 7.910 0.494 17911 9620 1 18 . 1 1 12 12 THR N N 198 114.709 114.709 114.009 0.700 17911 9621 1 18 . 1 1 12 12 THR HA H 198 4.400 4.400 4.444 -0.044 17911 9622 1 18 . 1 1 12 12 THR CA C 198 61.223 61.223 62.408 -1.185 17911 9623 1 18 . 1 1 12 12 THR CB C 198 70.490 70.490 69.239 1.251 17911 9624 1 18 . 1 1 12 12 THR H H 198 7.895 7.895 7.596 0.299 17911 9625 1 18 . 1 1 13 13 THR N N 199 122.785 122.785 121.235 1.550 17911 9626 1 18 . 1 1 13 13 THR HA H 199 3.961 3.961 4.276 -0.315 17911 9627 1 18 . 1 1 13 13 THR CA C 199 63.286 63.286 63.033 0.252 17911 9628 1 18 . 1 1 13 13 THR CB C 199 68.958 68.958 69.291 -0.333 17911 9629 1 18 . 1 1 13 13 THR H H 199 8.354 8.354 8.125 0.229 17911 9630 1 18 . 1 1 14 14 ILE N N 200 127.902 127.902 129.710 -1.808 17911 9631 1 18 . 1 1 14 14 ILE HA H 200 3.807 3.807 4.224 -0.417 17911 9632 1 18 . 1 1 14 14 ILE CA C 200 60.965 60.965 61.517 -0.552 17911 9633 1 18 . 1 1 14 14 ILE CB C 200 35.860 35.860 35.618 0.242 17911 9634 1 18 . 1 1 14 14 ILE H H 200 9.362 9.362 9.306 0.056 17911 9635 1 18 . 1 1 15 15 THR N N 201 130.379 130.379 123.175 7.204 17911 9636 1 18 . 1 1 15 15 THR HA H 201 3.521 3.521 4.072 -0.551 17911 9637 1 18 . 1 1 15 15 THR CA C 201 66.637 66.637 66.840 -0.203 17911 9638 1 18 . 1 1 15 15 THR CB C 201 67.411 67.411 68.726 -1.315 17911 9639 1 18 . 1 1 15 15 THR H H 201 7.834 7.834 8.167 -0.333 17911 9640 1 18 . 1 1 16 16 LEU N N 202 120.049 120.049 121.012 -0.963 17911 9641 1 18 . 1 1 16 16 LEU HA H 202 3.715 3.715 4.075 -0.360 17911 9642 1 18 . 1 1 16 16 LEU CA C 202 58.387 58.387 58.675 -0.288 17911 9643 1 18 . 1 1 16 16 LEU CB C 202 43.148 43.148 41.736 1.413 17911 9644 1 18 . 1 1 16 16 LEU H H 202 8.913 8.913 8.482 0.431 17911 9645 1 18 . 1 1 17 17 ASN N N 203 117.390 117.390 117.315 0.075 17911 9646 1 18 . 1 1 17 17 ASN HA H 203 4.594 4.594 4.821 -0.227 17911 9647 1 18 . 1 1 17 17 ASN CA C 203 54.520 54.520 55.612 -1.092 17911 9648 1 18 . 1 1 17 17 ASN CB C 203 37.246 37.246 38.301 -1.055 17911 9649 1 18 . 1 1 17 17 ASN H H 203 6.926 6.926 8.006 -1.080 17911 9650 1 18 . 1 1 18 18 VAL N N 204 123.434 123.434 122.678 0.756 17911 9651 1 18 . 1 1 18 18 VAL HA H 204 4.242 4.242 3.981 0.261 17911 9652 1 18 . 1 1 18 18 VAL CA C 204 66.236 66.236 66.711 -0.475 17911 9653 1 18 . 1 1 18 18 VAL CB C 204 31.605 31.605 31.866 -0.261 17911 9654 1 18 . 1 1 18 18 VAL H H 204 7.660 7.660 7.803 -0.143 17911 9655 1 18 . 1 1 19 19 LEU N N 205 117.301 117.301 120.062 -2.761 17911 9656 1 18 . 1 1 19 19 LEU HA H 205 3.945 3.945 3.873 0.072 17911 9657 1 18 . 1 1 19 19 LEU CA C 205 58.408 58.408 58.215 0.193 17911 9658 1 18 . 1 1 19 19 LEU CB C 205 42.918 42.918 41.234 1.683 17911 9659 1 18 . 1 1 19 19 LEU H H 205 8.573 8.573 8.544 0.029 17911 9660 1 18 . 1 1 20 20 ALA N N 206 120.290 120.290 121.879 -1.589 17911 9661 1 18 . 1 1 20 20 ALA HA H 206 4.012 4.012 4.223 -0.211 17911 9662 1 18 . 1 1 20 20 ALA CA C 206 56.195 56.195 55.221 0.974 17911 9663 1 18 . 1 1 20 20 ALA CB C 206 17.911 17.911 18.172 -0.261 17911 9664 1 18 . 1 1 20 20 ALA H H 206 8.188 8.188 8.302 -0.114 17911 9665 1 18 . 1 1 21 21 TRP N N 207 121.219 121.219 120.662 0.557 17911 9666 1 18 . 1 1 21 21 TRP HA H 207 4.110 4.110 4.132 -0.022 17911 9667 1 18 . 1 1 21 21 TRP CA C 207 61.224 61.224 61.808 -0.584 17911 9668 1 18 . 1 1 21 21 TRP CB C 207 28.712 28.712 29.401 -0.689 17911 9669 1 18 . 1 1 21 21 TRP H H 207 8.406 8.406 8.360 0.046 17911 9670 1 18 . 1 1 22 22 LEU HA H 208 3.517 3.517 3.579 -0.062 17911 9671 1 18 . 1 1 22 22 LEU CA C 208 57.897 57.897 57.707 0.190 17911 9672 1 18 . 1 1 22 22 LEU CB C 208 40.880 40.880 41.244 -0.364 17911 9673 1 18 . 1 1 22 22 LEU H H 208 8.620 8.620 8.709 -0.089 17911 9674 1 18 . 1 1 23 23 TYR N N 209 117.656 117.656 119.190 -1.534 17911 9675 1 18 . 1 1 23 23 TYR HA H 209 3.956 3.956 4.138 -0.182 17911 9676 1 18 . 1 1 23 23 TYR CA C 209 64.704 64.704 61.800 2.904 17911 9677 1 18 . 1 1 23 23 TYR CB C 209 38.793 38.793 37.521 1.272 17911 9678 1 18 . 1 1 23 23 TYR H H 209 8.368 8.368 8.364 0.003 17911 9679 1 18 . 1 1 24 24 ALA N N 210 122.658 122.658 121.571 1.087 17911 9680 1 18 . 1 1 24 24 ALA HA H 210 3.837 3.837 3.850 -0.013 17911 9681 1 18 . 1 1 24 24 ALA CA C 210 55.036 55.036 54.743 0.293 17911 9682 1 18 . 1 1 24 24 ALA CB C 210 17.311 17.311 17.855 -0.544 17911 9683 1 18 . 1 1 24 24 ALA H H 210 8.461 8.461 8.205 0.256 17911 9684 1 18 . 1 1 25 25 ALA N N 211 123.868 123.868 122.228 1.640 17911 9685 1 18 . 1 1 25 25 ALA HA H 211 3.761 3.761 3.745 0.016 17911 9686 1 18 . 1 1 25 25 ALA CA C 211 55.551 55.551 54.669 0.882 17911 9687 1 18 . 1 1 25 25 ALA CB C 211 17.992 17.992 18.113 -0.121 17911 9688 1 18 . 1 1 25 25 ALA H H 211 8.564 8.564 7.788 0.776 17911 9689 1 18 . 1 1 26 26 VAL N N 212 119.783 119.783 118.900 0.883 17911 9690 1 18 . 1 1 26 26 VAL HA H 212 3.487 3.487 3.710 -0.223 17911 9691 1 18 . 1 1 26 26 VAL CA C 212 66.576 66.576 66.220 0.356 17911 9692 1 18 . 1 1 26 26 VAL CB C 212 31.575 31.575 31.105 0.471 17911 9693 1 18 . 1 1 26 26 VAL H H 212 8.008 8.008 8.010 -0.002 17911 9694 1 18 . 1 1 27 27 ILE N N 213 124.428 124.428 117.977 6.451 17911 9695 1 18 . 1 1 27 27 ILE HA H 213 3.559 3.559 3.712 -0.153 17911 9696 1 18 . 1 1 27 27 ILE CA C 213 65.526 65.526 64.732 0.794 17911 9697 1 18 . 1 1 27 27 ILE CB C 213 37.902 37.902 38.138 -0.236 17911 9698 1 18 . 1 1 27 27 ILE H H 213 8.576 8.576 8.358 0.218 17911 9699 1 18 . 1 1 28 28 ASN N N 214 116.563 116.563 115.543 1.020 17911 9700 1 18 . 1 1 28 28 ASN HA H 214 4.565 4.565 4.587 -0.022 17911 9701 1 18 . 1 1 28 28 ASN CA C 214 54.579 54.579 54.412 0.167 17911 9702 1 18 . 1 1 28 28 ASN CB C 214 40.340 40.340 39.709 0.631 17911 9703 1 18 . 1 1 28 28 ASN H H 214 7.714 7.714 8.284 -0.570 17911 9704 1 18 . 1 1 29 29 GLY N N 215 107.004 107.004 106.686 0.318 17911 9705 1 18 . 1 1 29 29 GLY CA C 215 45.683 45.683 44.908 0.775 17911 9706 1 18 . 1 1 29 29 GLY H H 215 7.861 7.861 8.118 -0.257 17911 9707 1 18 . 1 1 30 30 ASP N N 216 125.780 125.780 124.465 1.315 17911 9708 1 18 . 1 1 30 30 ASP HA H 216 5.019 5.019 4.654 0.365 17911 9709 1 18 . 1 1 30 30 ASP CA C 216 53.643 53.643 54.819 -1.176 17911 9710 1 18 . 1 1 30 30 ASP CB C 216 41.561 41.561 40.522 1.039 17911 9711 1 18 . 1 1 30 30 ASP H H 216 8.560 8.560 7.940 0.620 17911 9712 1 18 . 1 1 31 31 ARG N N 217 115.297 115.297 120.388 -5.091 17911 9713 1 18 . 1 1 31 31 ARG HA H 217 3.711 3.711 3.109 0.602 17911 9714 1 18 . 1 1 31 31 ARG CA C 217 54.520 54.520 55.232 -0.712 17911 9715 1 18 . 1 1 31 31 ARG CB C 217 32.116 32.116 30.977 1.139 17911 9716 1 18 . 1 1 31 31 ARG H H 217 7.984 7.984 7.624 0.360 17911 9717 1 18 . 1 1 32 32 TRP N N 218 119.754 119.754 119.900 -0.146 17911 9718 1 18 . 1 1 32 32 TRP HA H 218 4.120 4.120 4.262 -0.142 17911 9719 1 18 . 1 1 32 32 TRP CA C 218 58.387 58.387 57.580 0.807 17911 9720 1 18 . 1 1 32 32 TRP CB C 218 28.372 28.372 28.096 0.276 17911 9721 1 18 . 1 1 32 32 TRP H H 218 7.368 7.368 7.301 0.067 17911 9722 1 18 . 1 1 33 33 PHE HA H 219 3.919 3.919 4.601 -0.682 17911 9723 1 18 . 1 1 33 33 PHE CA C 219 55.315 55.315 56.129 -0.814 17911 9724 1 18 . 1 1 33 33 PHE CB C 219 37.277 37.277 37.515 -0.238 17911 9725 1 18 . 1 1 34 34 LEU N N 220 122.632 122.632 121.244 1.388 17911 9726 1 18 . 1 1 34 34 LEU HA H 220 3.931 3.931 4.100 -0.169 17911 9727 1 18 . 1 1 34 34 LEU CA C 220 55.315 55.315 55.365 -0.050 17911 9728 1 18 . 1 1 34 34 LEU CB C 220 40.790 40.790 41.884 -1.094 17911 9729 1 18 . 1 1 34 34 LEU H H 220 6.447 6.447 7.112 -0.665 17911 9730 1 18 . 1 1 35 35 ASN N N 221 119.503 119.503 117.805 1.698 17911 9731 1 18 . 1 1 35 35 ASN HA H 221 4.709 4.709 4.950 -0.241 17911 9732 1 18 . 1 1 35 35 ASN CA C 221 52.026 52.026 52.351 -0.325 17911 9733 1 18 . 1 1 35 35 ASN CB C 221 40.598 40.598 40.692 -0.094 17911 9734 1 18 . 1 1 35 35 ASN H H 221 8.105 8.105 8.440 -0.335 17911 9735 1 18 . 1 1 36 36 ARG N N 222 116.408 116.408 117.699 -1.291 17911 9736 1 18 . 1 1 36 36 ARG HA H 222 4.293 4.293 4.309 -0.016 17911 9737 1 18 . 1 1 36 36 ARG CA C 222 55.600 55.600 56.139 -0.539 17911 9738 1 18 . 1 1 36 36 ARG CB C 222 28.997 28.997 28.463 0.534 17911 9739 1 18 . 1 1 36 36 ARG H H 222 8.099 8.099 8.612 -0.513 17911 9740 1 18 . 1 1 37 37 PHE N N 223 120.398 120.398 118.822 1.576 17911 9741 1 18 . 1 1 37 37 PHE HA H 223 4.813 4.813 4.882 -0.069 17911 9742 1 18 . 1 1 37 37 PHE CA C 223 56.081 56.081 56.112 -0.031 17911 9743 1 18 . 1 1 37 37 PHE CB C 223 40.085 40.085 42.813 -2.728 17911 9744 1 18 . 1 1 37 37 PHE H H 223 7.842 7.842 7.962 -0.120 17911 9745 1 18 . 1 1 38 38 THR N N 224 112.040 112.040 109.335 2.705 17911 9746 1 18 . 1 1 38 38 THR HA H 224 4.653 4.653 4.965 -0.312 17911 9747 1 18 . 1 1 38 38 THR CA C 224 60.708 60.708 60.276 0.432 17911 9748 1 18 . 1 1 38 38 THR CB C 224 71.000 71.000 71.200 -0.200 17911 9749 1 18 . 1 1 38 38 THR H H 224 8.231 8.231 8.334 -0.103 17911 9750 1 18 . 1 1 39 39 THR N N 225 116.627 116.627 114.580 2.047 17911 9751 1 18 . 1 1 39 39 THR HA H 225 4.925 4.925 4.685 0.240 17911 9752 1 18 . 1 1 39 39 THR CA C 225 59.677 59.677 60.007 -0.330 17911 9753 1 18 . 1 1 39 39 THR CB C 225 69.989 69.989 70.979 -0.990 17911 9754 1 18 . 1 1 39 39 THR H H 225 8.107 8.107 8.113 -0.006 17911 9755 1 18 . 1 1 40 40 THR N N 226 111.263 111.263 116.158 -4.895 17911 9756 1 18 . 1 1 40 40 THR HA H 226 4.727 4.727 4.520 0.207 17911 9757 1 18 . 1 1 40 40 THR CA C 226 59.740 59.740 61.033 -1.293 17911 9758 1 18 . 1 1 40 40 THR CB C 226 72.052 72.052 70.233 1.819 17911 9759 1 18 . 1 1 40 40 THR H H 226 8.481 8.481 8.178 0.303 17911 9760 1 18 . 1 1 41 41 LEU N N 227 123.989 123.989 124.431 -0.442 17911 9761 1 18 . 1 1 41 41 LEU HA H 227 3.986 3.986 4.155 -0.169 17911 9762 1 18 . 1 1 41 41 LEU CA C 227 58.903 58.903 58.172 0.731 17911 9763 1 18 . 1 1 41 41 LEU CB C 227 41.561 41.561 41.901 -0.340 17911 9764 1 18 . 1 1 41 41 LEU H H 227 9.259 9.259 8.816 0.443 17911 9765 1 18 . 1 1 42 42 ASN N N 228 115.183 115.183 117.054 -1.871 17911 9766 1 18 . 1 1 42 42 ASN HA H 228 4.435 4.435 4.422 0.013 17911 9767 1 18 . 1 1 42 42 ASN CA C 228 56.961 56.961 57.336 -0.375 17911 9768 1 18 . 1 1 42 42 ASN CB C 228 38.497 38.497 38.144 0.353 17911 9769 1 18 . 1 1 42 42 ASN H H 228 8.598 8.598 8.481 0.117 17911 9770 1 18 . 1 1 43 43 ASP N N 229 118.746 118.746 120.327 -1.581 17911 9771 1 18 . 1 1 43 43 ASP HA H 229 4.367 4.367 4.434 -0.067 17911 9772 1 18 . 1 1 43 43 ASP CA C 229 57.387 57.387 57.165 0.222 17911 9773 1 18 . 1 1 43 43 ASP CB C 229 40.625 40.625 40.916 -0.291 17911 9774 1 18 . 1 1 43 43 ASP H H 229 7.847 7.847 7.894 -0.047 17911 9775 1 18 . 1 1 44 44 PHE N N 230 120.193 120.193 121.087 -0.894 17911 9776 1 18 . 1 1 44 44 PHE HA H 230 3.808 3.808 4.080 -0.272 17911 9777 1 18 . 1 1 44 44 PHE CA C 230 62.747 62.747 61.801 0.946 17911 9778 1 18 . 1 1 44 44 PHE CB C 230 38.753 38.753 39.180 -0.427 17911 9779 1 18 . 1 1 44 44 PHE H H 230 8.547 8.547 8.426 0.121 17911 9780 1 18 . 1 1 45 45 ASN N N 231 118.852 118.852 118.384 0.468 17911 9781 1 18 . 1 1 45 45 ASN HA H 231 4.472 4.472 4.223 0.249 17911 9782 1 18 . 1 1 45 45 ASN CA C 231 55.344 55.344 56.175 -0.831 17911 9783 1 18 . 1 1 45 45 ASN CB C 231 37.391 37.391 38.049 -0.658 17911 9784 1 18 . 1 1 45 45 ASN H H 231 8.727 8.727 8.519 0.208 17911 9785 1 18 . 1 1 46 46 LEU N N 232 120.221 120.221 120.583 -0.362 17911 9786 1 18 . 1 1 46 46 LEU HA H 232 4.065 4.065 3.944 0.121 17911 9787 1 18 . 1 1 46 46 LEU CA C 232 58.152 58.152 58.274 -0.122 17911 9788 1 18 . 1 1 46 46 LEU CB C 232 42.071 42.071 41.850 0.221 17911 9789 1 18 . 1 1 46 46 LEU H H 232 7.516 7.516 8.338 -0.822 17911 9790 1 18 . 1 1 47 47 VAL N N 233 119.649 119.649 119.004 0.645 17911 9791 1 18 . 1 1 47 47 VAL HA H 233 3.604 3.604 3.556 0.048 17911 9792 1 18 . 1 1 47 47 VAL CA C 233 65.864 65.864 66.333 -0.469 17911 9793 1 18 . 1 1 47 47 VAL CB C 233 31.575 31.575 31.044 0.531 17911 9794 1 18 . 1 1 47 47 VAL H H 233 6.987 6.987 7.922 -0.935 17911 9795 1 18 . 1 1 48 48 ALA N N 234 122.056 122.056 122.189 -0.133 17911 9796 1 18 . 1 1 48 48 ALA HA H 234 3.451 3.451 3.824 -0.373 17911 9797 1 18 . 1 1 48 48 ALA CA C 234 55.741 55.741 55.078 0.663 17911 9798 1 18 . 1 1 48 48 ALA CB C 234 16.971 16.971 18.031 -1.060 17911 9799 1 18 . 1 1 48 48 ALA H H 234 8.480 8.480 8.123 0.357 17911 9800 1 18 . 1 1 49 49 MET N N 235 114.180 114.180 118.057 -3.877 17911 9801 1 18 . 1 1 49 49 MET HA H 235 4.272 4.272 4.209 0.063 17911 9802 1 18 . 1 1 49 49 MET CA C 235 59.003 59.003 58.905 0.098 17911 9803 1 18 . 1 1 49 49 MET CB C 235 32.967 32.967 32.567 0.400 17911 9804 1 18 . 1 1 49 49 MET H H 235 7.950 7.950 8.271 -0.321 17911 9805 1 18 . 1 1 50 50 LYS N N 236 120.217 120.217 120.249 -0.032 17911 9806 1 18 . 1 1 50 50 LYS HA H 236 3.945 3.945 3.886 0.059 17911 9807 1 18 . 1 1 50 50 LYS CA C 236 58.378 58.378 58.683 -0.305 17911 9808 1 18 . 1 1 50 50 LYS CB C 236 31.833 31.833 32.389 -0.555 17911 9809 1 18 . 1 1 50 50 LYS H H 236 7.378 7.378 8.077 -0.699 17911 9810 1 18 . 1 1 51 51 TYR N N 237 115.853 115.853 114.979 0.874 17911 9811 1 18 . 1 1 51 51 TYR HA H 237 4.462 4.462 4.688 -0.226 17911 9812 1 18 . 1 1 51 51 TYR CA C 237 58.293 58.293 57.156 1.137 17911 9813 1 18 . 1 1 51 51 TYR CB C 237 38.668 38.668 38.085 0.583 17911 9814 1 18 . 1 1 51 51 TYR H H 237 7.392 7.392 7.447 -0.055 17911 9815 1 18 . 1 1 52 52 ASN N N 238 115.965 115.965 115.652 0.313 17911 9816 1 18 . 1 1 52 52 ASN HA H 238 4.403 4.403 4.338 0.065 17911 9817 1 18 . 1 1 52 52 ASN CA C 238 54.834 54.834 54.435 0.398 17911 9818 1 18 . 1 1 52 52 ASN CB C 238 36.881 36.881 37.517 -0.637 17911 9819 1 18 . 1 1 52 52 ASN H H 238 7.914 7.914 7.783 0.131 17911 9820 1 18 . 1 1 53 53 TYR N N 239 120.379 120.379 117.777 2.602 17911 9821 1 18 . 1 1 53 53 TYR HA H 239 4.675 4.675 4.699 -0.024 17911 9822 1 18 . 1 1 53 53 TYR CA C 239 57.387 57.387 58.579 -1.192 17911 9823 1 18 . 1 1 53 53 TYR CB C 239 37.788 37.788 38.890 -1.102 17911 9824 1 18 . 1 1 53 53 TYR H H 239 8.341 8.341 8.358 -0.017 17911 9825 1 18 . 1 1 54 54 GLU N N 240 122.559 122.559 122.584 -0.025 17911 9826 1 18 . 1 1 54 54 GLU HA H 240 4.317 4.317 4.330 -0.013 17911 9827 1 18 . 1 1 54 54 GLU CA C 240 54.579 54.579 55.864 -1.285 17911 9828 1 18 . 1 1 54 54 GLU CB C 240 30.802 30.802 29.808 0.994 17911 9829 1 18 . 1 1 54 54 GLU H H 240 8.114 8.114 8.821 -0.707 17911 9830 1 18 . 1 1 55 55 PRO HA H 241 4.314 4.314 4.458 -0.144 17911 9831 1 18 . 1 1 55 55 PRO CA C 241 62.973 62.973 62.710 0.263 17911 9832 1 18 . 1 1 55 55 PRO CB C 241 31.917 31.917 32.464 -0.547 17911 9833 1 18 . 1 1 56 56 LEU N N 242 124.468 124.468 121.258 3.210 17911 9834 1 18 . 1 1 56 56 LEU HA H 242 5.200 5.200 4.726 0.474 17911 9835 1 18 . 1 1 56 56 LEU CA C 242 53.747 53.747 54.091 -0.344 17911 9836 1 18 . 1 1 56 56 LEU CB C 242 45.560 45.560 46.347 -0.787 17911 9837 1 18 . 1 1 56 56 LEU H H 242 9.650 9.650 9.230 0.420 17911 9838 1 18 . 1 1 57 57 THR N N 243 116.700 116.700 114.145 2.555 17911 9839 1 18 . 1 1 57 57 THR HA H 243 4.664 4.664 4.774 -0.110 17911 9840 1 18 . 1 1 57 57 THR CA C 243 59.429 59.429 60.001 -0.571 17911 9841 1 18 . 1 1 57 57 THR CB C 243 71.851 71.851 71.938 -0.087 17911 9842 1 18 . 1 1 57 57 THR H H 243 9.279 9.279 8.521 0.758 17911 9843 1 18 . 1 1 58 58 GLN N N 244 119.764 119.764 121.207 -1.443 17911 9844 1 18 . 1 1 58 58 GLN HA H 244 3.827 3.827 4.030 -0.203 17911 9845 1 18 . 1 1 58 58 GLN CA C 244 58.130 58.130 59.563 -1.433 17911 9846 1 18 . 1 1 58 58 GLN CB C 244 27.777 27.777 28.288 -0.511 17911 9847 1 18 . 1 1 58 58 GLN H H 244 8.959 8.959 8.876 0.083 17911 9848 1 18 . 1 1 59 59 ASP N N 245 117.059 117.059 116.386 0.673 17911 9849 1 18 . 1 1 59 59 ASP HA H 245 4.325 4.325 4.325 -0.000 17911 9850 1 18 . 1 1 59 59 ASP CA C 245 57.301 57.301 57.017 0.284 17911 9851 1 18 . 1 1 59 59 ASP CB C 245 40.029 40.029 40.460 -0.431 17911 9852 1 18 . 1 1 59 59 ASP H H 245 7.838 7.838 8.790 -0.952 17911 9853 1 18 . 1 1 60 60 HIS N N 246 119.076 119.076 118.746 0.330 17911 9854 1 18 . 1 1 60 60 HIS HA H 246 4.296 4.296 4.418 -0.122 17911 9855 1 18 . 1 1 60 60 HIS CA C 246 58.645 58.645 59.043 -0.398 17911 9856 1 18 . 1 1 60 60 HIS CB C 246 32.864 32.864 30.128 2.736 17911 9857 1 18 . 1 1 60 60 HIS H H 246 7.333 7.333 7.508 -0.175 17911 9858 1 18 . 1 1 61 61 VAL N N 247 118.215 118.215 120.186 -1.971 17911 9859 1 18 . 1 1 61 61 VAL HA H 247 3.400 3.400 3.600 -0.200 17911 9860 1 18 . 1 1 61 61 VAL CA C 247 67.257 67.257 66.620 0.637 17911 9861 1 18 . 1 1 61 61 VAL CB C 247 31.010 31.010 31.754 -0.744 17911 9862 1 18 . 1 1 61 61 VAL H H 247 7.565 7.565 8.407 -0.842 17911 9863 1 18 . 1 1 62 62 ASP N N 248 119.651 119.651 120.363 -0.712 17911 9864 1 18 . 1 1 62 62 ASP HA H 248 4.358 4.358 4.394 -0.036 17911 9865 1 18 . 1 1 62 62 ASP CA C 248 57.557 57.557 57.628 -0.071 17911 9866 1 18 . 1 1 62 62 ASP CB C 248 40.027 40.027 40.894 -0.867 17911 9867 1 18 . 1 1 62 62 ASP H H 248 8.142 8.142 8.262 -0.120 17911 9868 1 18 . 1 1 63 63 ILE N N 249 123.545 123.545 118.429 5.116 17911 9869 1 18 . 1 1 63 63 ILE HA H 249 3.756 3.756 3.859 -0.103 17911 9870 1 18 . 1 1 63 63 ILE CA C 249 64.832 64.832 63.673 1.159 17911 9871 1 18 . 1 1 63 63 ILE CB C 249 37.817 37.817 37.828 -0.011 17911 9872 1 18 . 1 1 63 63 ILE H H 249 8.017 8.017 7.380 0.637 17911 9873 1 18 . 1 1 64 64 LEU N N 250 117.125 117.125 118.298 -1.173 17911 9874 1 18 . 1 1 64 64 LEU HA H 250 4.094 4.094 4.233 -0.139 17911 9875 1 18 . 1 1 64 64 LEU CA C 250 55.004 55.004 55.517 -0.513 17911 9876 1 18 . 1 1 64 64 LEU CB C 250 42.662 42.662 41.141 1.521 17911 9877 1 18 . 1 1 64 64 LEU H H 250 7.217 7.217 7.800 -0.583 17911 9878 1 18 . 1 1 65 65 GLY N N 251 108.388 108.388 109.124 -0.736 17911 9879 1 18 . 1 1 65 65 GLY CA C 251 48.708 48.708 48.447 0.261 17911 9880 1 18 . 1 1 65 65 GLY H H 251 7.794 7.794 8.254 -0.460 17911 9881 1 18 . 1 1 66 66 PRO HA H 252 4.243 4.243 4.158 0.085 17911 9882 1 18 . 1 1 66 66 PRO CA C 252 66.036 66.036 65.775 0.261 17911 9883 1 18 . 1 1 66 66 PRO CB C 252 32.172 32.172 31.440 0.732 17911 9884 1 18 . 1 1 67 67 LEU N N 253 117.852 117.852 116.614 1.238 17911 9885 1 18 . 1 1 67 67 LEU HA H 253 3.866 3.866 3.852 0.014 17911 9886 1 18 . 1 1 67 67 LEU CA C 253 57.301 57.301 57.380 -0.079 17911 9887 1 18 . 1 1 67 67 LEU CB C 253 40.539 40.539 41.070 -0.531 17911 9888 1 18 . 1 1 67 67 LEU H H 253 7.344 7.344 7.394 -0.050 17911 9889 1 18 . 1 1 68 68 SER N N 254 117.191 117.191 116.115 1.076 17911 9890 1 18 . 1 1 68 68 SER HA H 254 4.154 4.154 4.152 0.002 17911 9891 1 18 . 1 1 68 68 SER CA C 254 60.705 60.705 61.467 -0.762 17911 9892 1 18 . 1 1 68 68 SER CB C 254 63.286 63.286 62.653 0.633 17911 9893 1 18 . 1 1 68 68 SER H H 254 7.883 7.883 8.210 -0.327 17911 9894 1 18 . 1 1 69 69 ALA N N 255 123.895 123.895 123.969 -0.074 17911 9895 1 18 . 1 1 69 69 ALA HA H 255 4.078 4.078 4.157 -0.079 17911 9896 1 18 . 1 1 69 69 ALA CA C 255 54.749 54.749 54.575 0.174 17911 9897 1 18 . 1 1 69 69 ALA CB C 255 17.992 17.992 18.278 -0.286 17911 9898 1 18 . 1 1 69 69 ALA H H 255 8.592 8.592 8.024 0.568 17911 9899 1 18 . 1 1 70 70 GLN N N 256 116.528 116.528 114.228 2.300 17911 9900 1 18 . 1 1 70 70 GLN HA H 256 4.011 4.011 4.148 -0.137 17911 9901 1 18 . 1 1 70 70 GLN CA C 256 58.634 58.634 57.833 0.801 17911 9902 1 18 . 1 1 70 70 GLN CB C 256 28.939 28.939 29.062 -0.123 17911 9903 1 18 . 1 1 70 70 GLN H H 256 7.744 7.744 8.048 -0.304 17911 9904 1 18 . 1 1 71 71 THR N N 257 103.056 103.056 106.835 -3.779 17911 9905 1 18 . 1 1 71 71 THR HA H 257 4.277 4.277 4.510 -0.233 17911 9906 1 18 . 1 1 71 71 THR CA C 257 62.236 62.236 61.243 0.993 17911 9907 1 18 . 1 1 71 71 THR CB C 257 72.277 72.277 71.188 1.089 17911 9908 1 18 . 1 1 71 71 THR H H 257 7.401 7.401 7.448 -0.047 17911 9909 1 18 . 1 1 72 72 GLY N N 258 111.697 111.697 110.823 0.874 17911 9910 1 18 . 1 1 72 72 GLY CA C 258 45.900 45.900 45.554 0.346 17911 9911 1 18 . 1 1 72 72 GLY H H 258 8.113 8.113 8.306 -0.193 17911 9912 1 18 . 1 1 73 73 ILE N N 259 120.078 120.078 122.146 -2.068 17911 9913 1 18 . 1 1 73 73 ILE HA H 259 4.451 4.451 4.359 0.092 17911 9914 1 18 . 1 1 73 73 ILE CA C 259 58.903 58.903 59.931 -1.028 17911 9915 1 18 . 1 1 73 73 ILE CB C 259 38.497 38.497 39.016 -0.519 17911 9916 1 18 . 1 1 73 73 ILE H H 259 7.598 7.598 7.591 0.007 17911 9917 1 18 . 1 1 74 74 ALA N N 260 107.454 107.454 131.015 -23.561 17911 9918 1 18 . 1 1 74 74 ALA HA H 260 4.178 4.178 4.262 -0.084 17911 9919 1 18 . 1 1 74 74 ALA CA C 260 52.622 52.622 52.654 -0.032 17911 9920 1 18 . 1 1 74 74 ALA CB C 260 18.417 18.417 19.374 -0.957 17911 9921 1 18 . 1 1 74 74 ALA H H 260 9.477 9.477 8.681 0.796 17911 9922 1 18 . 1 1 75 75 VAL N N 261 124.569 124.569 122.198 2.371 17911 9923 1 18 . 1 1 75 75 VAL HA H 261 4.095 4.095 3.893 0.202 17911 9924 1 18 . 1 1 75 75 VAL CA C 261 66.637 66.637 65.432 1.205 17911 9925 1 18 . 1 1 75 75 VAL CB C 261 31.575 31.575 31.636 -0.061 17911 9926 1 18 . 1 1 75 75 VAL H H 261 8.927 8.927 8.724 0.203 17911 9927 1 18 . 1 1 76 76 LEU N N 262 117.285 117.285 118.439 -1.154 17911 9928 1 18 . 1 1 76 76 LEU HA H 262 3.827 3.827 3.986 -0.159 17911 9929 1 18 . 1 1 76 76 LEU CA C 262 58.067 58.067 57.262 0.805 17911 9930 1 18 . 1 1 76 76 LEU CB C 262 39.774 39.774 40.922 -1.147 17911 9931 1 18 . 1 1 76 76 LEU H H 262 8.949 8.949 7.970 0.979 17911 9932 1 18 . 1 1 77 77 ASP N N 263 120.854 120.854 121.640 -0.786 17911 9933 1 18 . 1 1 77 77 ASP HA H 263 4.639 4.639 4.665 -0.026 17911 9934 1 18 . 1 1 77 77 ASP CA C 263 57.131 57.131 56.933 0.198 17911 9935 1 18 . 1 1 77 77 ASP CB C 263 39.178 39.178 41.355 -2.178 17911 9936 1 18 . 1 1 77 77 ASP H H 263 7.011 7.011 7.918 -0.907 17911 9937 1 18 . 1 1 78 78 MET N N 264 124.661 124.661 120.588 4.073 17911 9938 1 18 . 1 1 78 78 MET HA H 264 4.343 4.343 4.092 0.251 17911 9939 1 18 . 1 1 78 78 MET CA C 264 57.131 57.131 57.673 -0.542 17911 9940 1 18 . 1 1 78 78 MET CB C 264 31.172 31.172 31.806 -0.634 17911 9941 1 18 . 1 1 78 78 MET H H 264 8.025 8.025 8.026 -0.001 17911 9942 1 18 . 1 1 79 79 CYS N N 265 117.740 117.740 118.280 -0.540 17911 9943 1 18 . 1 1 79 79 CYS HA H 265 3.534 3.534 3.697 -0.163 17911 9944 1 18 . 1 1 79 79 CYS CA C 265 64.317 64.317 63.615 0.702 17911 9945 1 18 . 1 1 79 79 CYS CB C 265 25.564 25.564 26.016 -0.452 17911 9946 1 18 . 1 1 79 79 CYS H H 265 8.703 8.703 8.499 0.204 17911 9947 1 18 . 1 1 80 80 ALA N N 266 123.346 123.346 121.662 1.684 17911 9948 1 18 . 1 1 80 80 ALA HA H 266 3.884 3.884 4.121 -0.237 17911 9949 1 18 . 1 1 80 80 ALA CA C 266 55.174 55.174 55.022 0.152 17911 9950 1 18 . 1 1 80 80 ALA CB C 266 17.911 17.911 17.998 -0.087 17911 9951 1 18 . 1 1 80 80 ALA H H 266 7.745 7.745 7.725 0.020 17911 9952 1 18 . 1 1 81 81 ALA N N 267 122.668 122.668 122.713 -0.045 17911 9953 1 18 . 1 1 81 81 ALA HA H 267 4.236 4.236 4.294 -0.058 17911 9954 1 18 . 1 1 81 81 ALA CA C 267 54.778 54.778 54.756 0.022 17911 9955 1 18 . 1 1 81 81 ALA CB C 267 18.247 18.247 18.709 -0.462 17911 9956 1 18 . 1 1 81 81 ALA H H 267 7.513 7.513 8.052 -0.539 17911 9957 1 18 . 1 1 82 82 LEU N N 268 119.844 119.844 120.682 -0.838 17911 9958 1 18 . 1 1 82 82 LEU HA H 268 3.924 3.924 3.922 0.002 17911 9959 1 18 . 1 1 82 82 LEU CA C 268 57.613 57.613 57.533 0.080 17911 9960 1 18 . 1 1 82 82 LEU CB C 268 40.681 40.681 41.268 -0.587 17911 9961 1 18 . 1 1 82 82 LEU H H 268 8.304 8.304 8.375 -0.071 17911 9962 1 18 . 1 1 83 83 LYS N N 269 119.140 119.140 119.600 -0.460 17911 9963 1 18 . 1 1 83 83 LYS HA H 269 3.629 3.629 3.809 -0.180 17911 9964 1 18 . 1 1 83 83 LYS CA C 269 60.279 60.279 60.431 -0.152 17911 9965 1 18 . 1 1 83 83 LYS CB C 269 33.052 33.052 32.289 0.763 17911 9966 1 18 . 1 1 83 83 LYS H H 269 8.881 8.881 8.716 0.165 17911 9967 1 18 . 1 1 84 84 GLU N N 270 116.647 116.647 119.809 -3.162 17911 9968 1 18 . 1 1 84 84 GLU HA H 270 4.085 4.085 4.269 -0.184 17911 9969 1 18 . 1 1 84 84 GLU CA C 270 58.903 58.903 59.067 -0.164 17911 9970 1 18 . 1 1 84 84 GLU CB C 270 29.223 29.223 29.469 -0.246 17911 9971 1 18 . 1 1 84 84 GLU H H 270 7.107 7.107 7.603 -0.496 17911 9972 1 18 . 1 1 85 85 LEU N N 271 120.657 120.657 120.400 0.257 17911 9973 1 18 . 1 1 85 85 LEU HA H 271 3.992 3.992 4.057 -0.065 17911 9974 1 18 . 1 1 85 85 LEU CA C 271 57.872 57.872 57.781 0.091 17911 9975 1 18 . 1 1 85 85 LEU CB C 271 42.326 42.326 41.730 0.596 17911 9976 1 18 . 1 1 85 85 LEU H H 271 7.757 7.757 8.225 -0.468 17911 9977 1 18 . 1 1 86 86 LEU N N 272 119.651 119.651 119.848 -0.197 17911 9978 1 18 . 1 1 86 86 LEU HA H 272 3.535 3.535 3.699 -0.164 17911 9979 1 18 . 1 1 86 86 LEU CA C 272 57.356 57.356 57.801 -0.445 17911 9980 1 18 . 1 1 86 86 LEU CB C 272 40.880 40.880 41.388 -0.508 17911 9981 1 18 . 1 1 86 86 LEU H H 272 8.336 8.336 8.398 -0.062 17911 9982 1 18 . 1 1 87 87 GLN N N 273 113.087 113.087 117.067 -3.980 17911 9983 1 18 . 1 1 87 87 GLN HA H 273 4.099 4.099 4.008 0.091 17911 9984 1 18 . 1 1 87 87 GLN CA C 273 58.387 58.387 58.121 0.266 17911 9985 1 18 . 1 1 87 87 GLN CB C 273 30.159 30.159 29.501 0.658 17911 9986 1 18 . 1 1 87 87 GLN H H 273 7.422 7.422 8.061 -0.639 17911 9987 1 18 . 1 1 88 88 ASN N N 274 113.925 113.925 112.933 0.992 17911 9988 1 18 . 1 1 88 88 ASN HA H 274 4.921 4.921 4.941 -0.020 17911 9989 1 18 . 1 1 88 88 ASN CA C 274 53.747 53.747 53.059 0.689 17911 9990 1 18 . 1 1 88 88 ASN CB C 274 40.625 40.625 41.196 -0.571 17911 9991 1 18 . 1 1 88 88 ASN H H 274 8.388 8.388 8.259 0.129 17911 9992 1 18 . 1 1 89 89 GLY N N 275 109.040 109.040 109.544 -0.504 17911 9993 1 18 . 1 1 89 89 GLY CA C 275 44.709 44.709 45.506 -0.797 17911 9994 1 18 . 1 1 89 89 GLY H H 275 7.698 7.698 8.126 -0.428 17911 9995 1 18 . 1 1 90 90 MET N N 276 115.183 115.183 117.079 -1.896 17911 9996 1 18 . 1 1 90 90 MET HA H 276 4.434 4.434 4.735 -0.301 17911 9997 1 18 . 1 1 90 90 MET CA C 276 56.791 56.791 54.177 2.614 17911 9998 1 18 . 1 1 90 90 MET CB C 276 33.637 33.637 33.048 0.589 17911 9999 1 18 . 1 1 90 90 MET H H 276 8.599 8.599 8.403 0.196 17911 10000 1 18 . 1 1 91 91 ASN N N 277 118.020 118.020 121.503 -3.483 17911 10001 1 18 . 1 1 91 91 ASN HA H 277 4.301 4.301 4.543 -0.242 17911 10002 1 18 . 1 1 91 91 ASN CA C 277 53.983 53.983 54.969 -0.986 17911 10003 1 18 . 1 1 91 91 ASN CB C 277 37.987 37.987 38.681 -0.694 17911 10004 1 18 . 1 1 91 91 ASN H H 277 9.033 9.033 8.091 0.942 17911 10005 1 18 . 1 1 92 92 GLY N N 278 104.906 104.906 112.089 -7.183 17911 10006 1 18 . 1 1 92 92 GLY CA C 278 45.645 45.645 45.278 0.367 17911 10007 1 18 . 1 1 92 92 GLY H H 278 8.538 8.538 8.686 -0.148 17911 10008 1 18 . 1 1 93 93 ARG N N 279 120.056 120.056 119.384 0.672 17911 10009 1 18 . 1 1 93 93 ARG HA H 279 4.237 4.237 4.688 -0.451 17911 10010 1 18 . 1 1 93 93 ARG CA C 279 55.344 55.344 54.471 0.873 17911 10011 1 18 . 1 1 93 93 ARG CB C 279 31.491 31.491 33.466 -1.975 17911 10012 1 18 . 1 1 93 93 ARG H H 279 7.257 7.257 7.785 -0.528 17911 10013 1 18 . 1 1 94 94 THR N N 280 106.223 106.223 111.783 -5.560 17911 10014 1 18 . 1 1 94 94 THR HA H 280 5.028 5.028 5.421 -0.393 17911 10015 1 18 . 1 1 94 94 THR CA C 280 59.684 59.684 60.652 -0.968 17911 10016 1 18 . 1 1 94 94 THR CB C 280 72.787 72.787 71.711 1.076 17911 10017 1 18 . 1 1 94 94 THR H H 280 7.726 7.726 8.314 -0.588 17911 10018 1 18 . 1 1 95 95 ILE N N 281 121.214 121.214 120.821 0.393 17911 10019 1 18 . 1 1 95 95 ILE HA H 281 4.301 4.301 4.749 -0.448 17911 10020 1 18 . 1 1 95 95 ILE CA C 281 62.066 62.066 60.601 1.465 17911 10021 1 18 . 1 1 95 95 ILE CB C 281 40.539 40.539 41.707 -1.168 17911 10022 1 18 . 1 1 95 95 ILE H H 281 8.761 8.761 9.056 -0.295 17911 10023 1 18 . 1 1 96 96 LEU N N 282 128.347 128.347 124.843 3.504 17911 10024 1 18 . 1 1 96 96 LEU HA H 282 3.850 3.850 3.872 -0.022 17911 10025 1 18 . 1 1 96 96 LEU CA C 282 55.344 55.344 55.707 -0.363 17911 10026 1 18 . 1 1 96 96 LEU CB C 282 40.539 40.539 39.971 0.568 17911 10027 1 18 . 1 1 96 96 LEU H H 282 9.905 9.905 9.613 0.292 17911 10028 1 18 . 1 1 97 97 GLY N N 283 103.322 103.322 102.997 0.325 17911 10029 1 18 . 1 1 97 97 GLY CA C 283 45.645 45.645 44.700 0.945 17911 10030 1 18 . 1 1 97 97 GLY H H 283 8.937 8.937 8.371 0.566 17911 10031 1 18 . 1 1 98 98 SER N N 284 116.619 116.619 114.976 1.643 17911 10032 1 18 . 1 1 98 98 SER HA H 284 4.950 4.950 5.086 -0.136 17911 10033 1 18 . 1 1 98 98 SER CA C 284 56.961 56.961 55.739 1.222 17911 10034 1 18 . 1 1 98 98 SER CB C 284 65.044 65.044 64.077 0.967 17911 10035 1 18 . 1 1 98 98 SER H H 284 8.612 8.612 8.211 0.401 17911 10036 1 18 . 1 1 99 99 THR N N 285 114.513 114.513 115.983 -1.470 17911 10037 1 18 . 1 1 99 99 THR HA H 285 4.598 4.598 4.644 -0.046 17911 10038 1 18 . 1 1 99 99 THR CA C 285 61.739 61.739 63.481 -1.742 17911 10039 1 18 . 1 1 99 99 THR CB C 285 69.214 69.214 68.886 0.328 17911 10040 1 18 . 1 1 99 99 THR H H 285 8.601 8.601 8.516 0.085 17911 10041 1 18 . 1 1 100 100 ILE N N 286 117.511 117.511 115.249 2.262 17911 10042 1 18 . 1 1 100 100 ILE HA H 286 4.496 4.496 4.574 -0.078 17911 10043 1 18 . 1 1 100 100 ILE CA C 286 59.173 59.173 59.369 -0.196 17911 10044 1 18 . 1 1 100 100 ILE CB C 286 41.887 41.887 41.032 0.855 17911 10045 1 18 . 1 1 100 100 ILE H H 286 7.931 7.931 7.332 0.599 17911 10046 1 18 . 1 1 101 101 LEU N N 287 121.101 121.101 117.942 3.159 17911 10047 1 18 . 1 1 101 101 LEU HA H 287 4.157 4.157 4.033 0.124 17911 10048 1 18 . 1 1 101 101 LEU CA C 287 54.520 54.520 53.774 0.746 17911 10049 1 18 . 1 1 101 101 LEU CB C 287 40.083 40.083 42.592 -2.509 17911 10050 1 18 . 1 1 101 101 LEU H H 287 8.025 8.025 7.937 0.088 17911 10051 1 18 . 1 1 102 102 GLU HA H 288 3.720 3.720 4.253 -0.533 17911 10052 1 18 . 1 1 102 102 GLU CA C 288 55.770 55.770 54.610 1.160 17911 10053 1 18 . 1 1 102 102 GLU CB C 288 29.904 29.904 32.707 -2.803 17911 10054 1 18 . 1 1 103 103 ASP N N 289 121.287 121.287 120.294 0.993 17911 10055 1 18 . 1 1 103 103 ASP HA H 289 4.513 4.513 4.674 -0.161 17911 10056 1 18 . 1 1 103 103 ASP CA C 289 52.281 52.281 53.819 -1.538 17911 10057 1 18 . 1 1 103 103 ASP CB C 289 42.922 42.922 41.592 1.330 17911 10058 1 18 . 1 1 103 103 ASP H H 289 8.014 8.014 8.559 -0.545 17911 10059 1 18 . 1 1 104 104 GLU N N 290 118.245 118.245 120.176 -1.931 17911 10060 1 18 . 1 1 104 104 GLU HA H 290 3.904 3.904 4.060 -0.156 17911 10061 1 18 . 1 1 104 104 GLU CA C 290 57.614 57.614 58.891 -1.277 17911 10062 1 18 . 1 1 104 104 GLU CB C 290 30.499 30.499 30.017 0.482 17911 10063 1 18 . 1 1 104 104 GLU H H 290 7.432 7.432 8.454 -1.022 17911 10064 1 18 . 1 1 105 105 PHE N N 291 120.606 120.606 118.339 2.267 17911 10065 1 18 . 1 1 105 105 PHE HA H 291 4.838 4.838 4.628 0.210 17911 10066 1 18 . 1 1 105 105 PHE CA C 291 56.536 56.536 57.461 -0.925 17911 10067 1 18 . 1 1 105 105 PHE CB C 291 39.774 39.774 38.031 1.744 17911 10068 1 18 . 1 1 105 105 PHE H H 291 8.835 8.835 8.135 0.700 17911 10069 1 18 . 1 1 106 106 THR N N 292 111.349 111.349 119.214 -7.865 17911 10070 1 18 . 1 1 106 106 THR HA H 292 4.670 4.670 4.543 0.127 17911 10071 1 18 . 1 1 106 106 THR CA C 292 59.344 59.344 61.145 -1.801 17911 10072 1 18 . 1 1 106 106 THR CB C 292 69.299 69.299 69.660 -0.361 17911 10073 1 18 . 1 1 106 106 THR H H 292 8.757 8.757 8.032 0.725 17911 10074 1 18 . 1 1 107 107 PRO HA H 293 3.988 3.988 4.488 -0.500 17911 10075 1 18 . 1 1 107 107 PRO CA C 293 65.606 65.606 63.111 2.495 17911 10076 1 18 . 1 1 107 107 PRO CB C 293 31.321 31.321 32.233 -0.912 17911 10077 1 18 . 1 1 108 108 PHE N N 294 114.627 114.627 116.207 -1.580 17911 10078 1 18 . 1 1 108 108 PHE HA H 294 4.201 4.201 4.011 0.190 17911 10079 1 18 . 1 1 108 108 PHE CA C 294 59.676 59.676 60.729 -1.053 17911 10080 1 18 . 1 1 108 108 PHE CB C 294 38.582 38.582 38.117 0.465 17911 10081 1 18 . 1 1 108 108 PHE H H 294 7.310 7.310 9.139 -1.829 17911 10082 1 18 . 1 1 109 109 ASP N N 295 120.210 120.210 119.212 0.998 17911 10083 1 18 . 1 1 109 109 ASP HA H 295 4.404 4.404 4.511 -0.107 17911 10084 1 18 . 1 1 109 109 ASP CA C 295 57.098 57.098 56.041 1.057 17911 10085 1 18 . 1 1 109 109 ASP CB C 295 41.475 41.475 40.880 0.595 17911 10086 1 18 . 1 1 109 109 ASP H H 295 7.837 7.837 8.162 -0.325 17911 10087 1 18 . 1 1 110 110 VAL N N 296 119.070 119.070 109.374 9.696 17911 10088 1 18 . 1 1 110 110 VAL HA H 296 3.602 3.602 4.147 -0.545 17911 10089 1 18 . 1 1 110 110 VAL CA C 296 66.491 66.491 60.705 5.786 17911 10090 1 18 . 1 1 110 110 VAL CB C 296 31.605 31.605 31.026 0.579 17911 10091 1 18 . 1 1 110 110 VAL H H 296 7.945 7.945 7.486 0.459 17911 10092 1 18 . 1 1 111 111 VAL N N 297 119.540 119.540 112.838 6.702 17911 10093 1 18 . 1 1 111 111 VAL HA H 297 3.601 3.601 4.511 -0.910 17911 10094 1 18 . 1 1 111 111 VAL CA C 297 66.379 66.379 61.278 5.101 17911 10095 1 18 . 1 1 111 111 VAL CB C 297 31.605 31.605 32.848 -1.243 17911 10096 1 18 . 1 1 111 111 VAL H H 297 8.109 8.109 7.048 1.061 17911 10097 1 18 . 1 1 112 112 ARG N N 298 119.680 119.680 119.774 -0.094 17911 10098 1 18 . 1 1 112 112 ARG HA H 298 4.010 4.010 3.942 0.068 17911 10099 1 18 . 1 1 112 112 ARG CA C 298 58.634 58.634 57.823 0.811 17911 10100 1 18 . 1 1 112 112 ARG CB C 298 30.028 30.028 30.116 -0.088 17911 10101 1 18 . 1 1 112 112 ARG H H 298 7.710 7.710 8.166 -0.456 17911 10102 1 18 . 1 1 113 113 GLN N N 299 117.786 117.786 117.286 0.500 17911 10103 1 18 . 1 1 113 113 GLN HA H 299 4.158 4.158 4.523 -0.365 17911 10104 1 18 . 1 1 113 113 GLN CA C 299 57.557 57.557 54.134 3.423 17911 10105 1 18 . 1 1 113 113 GLN CB C 299 29.308 29.308 30.887 -1.579 17911 10106 1 18 . 1 1 113 113 GLN H H 299 8.033 8.033 7.872 0.161 17911 10107 1 18 . 1 1 114 114 CYS N N 300 115.786 115.786 124.873 -9.087 17911 10108 1 18 . 1 1 114 114 CYS HA H 300 4.470 4.470 4.204 0.266 17911 10109 1 18 . 1 1 114 114 CYS CA C 300 59.934 59.934 59.765 0.169 17911 10110 1 18 . 1 1 114 114 CYS CB C 300 28.293 28.293 27.852 0.441 17911 10111 1 18 . 1 1 114 114 CYS H H 300 8.071 8.071 8.928 -0.857 17911 10112 1 18 . 1 1 115 115 SER N N 301 116.258 116.258 116.132 0.126 17911 10113 1 18 . 1 1 115 115 SER HA H 301 4.407 4.407 4.267 0.140 17911 10114 1 18 . 1 1 115 115 SER CA C 301 59.485 59.485 58.916 0.569 17911 10115 1 18 . 1 1 115 115 SER CB C 301 63.286 63.286 63.034 0.252 17911 10116 1 18 . 1 1 115 115 SER H H 301 7.883 7.883 7.713 0.170 17911 10117 1 18 . 1 1 116 116 GLY N N 302 110.709 110.709 110.633 0.076 17911 10118 1 18 . 1 1 116 116 GLY CA C 302 45.239 45.239 46.298 -1.059 17911 10119 1 18 . 1 1 116 116 GLY H H 302 8.355 8.355 8.231 0.124 17911 10120 1 18 . 1 1 117 117 VAL N N 303 119.189 119.189 112.679 6.510 17911 10121 1 18 . 1 1 117 117 VAL HA H 303 4.057 4.057 4.368 -0.311 17911 10122 1 18 . 1 1 117 117 VAL CA C 303 62.236 62.236 60.913 1.323 17911 10123 1 18 . 1 1 117 117 VAL CB C 303 32.626 32.626 32.846 -0.220 17911 10124 1 18 . 1 1 117 117 VAL H H 303 7.710 7.710 7.318 0.392 17911 10125 1 18 . 1 1 118 118 THR N N 304 118.009 118.009 117.881 0.128 17911 10126 1 18 . 1 1 118 118 THR HA H 304 4.279 4.279 4.159 0.120 17911 10127 1 18 . 1 1 118 118 THR CA C 304 61.556 61.556 61.866 -0.310 17911 10128 1 18 . 1 1 118 118 THR CB C 304 69.894 69.894 70.907 -1.013 17911 10129 1 18 . 1 1 118 118 THR H H 304 8.109 8.109 7.328 0.781 17911 10130 1 18 . 1 1 119 119 PHE N N 305 123.287 123.287 120.700 2.587 17911 10131 1 18 . 1 1 119 119 PHE HA H 305 4.605 4.605 4.773 -0.168 17911 10132 1 18 . 1 1 119 119 PHE CA C 305 57.727 57.727 56.135 1.592 17911 10133 1 18 . 1 1 119 119 PHE CB C 305 39.859 39.859 39.965 -0.106 17911 10134 1 18 . 1 1 119 119 PHE H H 305 8.298 8.298 7.999 0.299 17911 10135 1 19 . 1 1 2 2 ARG N N 188 121.886 121.886 122.358 -0.472 17911 10136 1 19 . 1 1 2 2 ARG HA H 188 4.242 4.242 4.011 0.231 17911 10137 1 19 . 1 1 2 2 ARG CA C 188 56.487 56.487 58.701 -2.214 17911 10138 1 19 . 1 1 2 2 ARG CB C 188 30.857 30.857 30.344 0.513 17911 10139 1 19 . 1 1 2 2 ARG H H 188 8.475 8.475 8.696 -0.221 17911 10140 1 19 . 1 1 3 3 GLN N N 189 121.336 121.336 115.862 5.474 17911 10141 1 19 . 1 1 3 3 GLN HA H 189 4.302 4.302 4.204 0.098 17911 10142 1 19 . 1 1 3 3 GLN CA C 189 56.366 56.366 57.914 -1.548 17911 10143 1 19 . 1 1 3 3 GLN CB C 189 29.254 29.254 29.459 -0.205 17911 10144 1 19 . 1 1 3 3 GLN H H 189 8.553 8.553 8.394 0.159 17911 10145 1 19 . 1 1 4 4 THR N N 190 115.273 115.273 108.174 7.099 17911 10146 1 19 . 1 1 4 4 THR HA H 190 4.275 4.275 4.545 -0.270 17911 10147 1 19 . 1 1 4 4 THR CA C 190 62.066 62.066 61.874 0.192 17911 10148 1 19 . 1 1 4 4 THR CB C 190 69.894 69.894 70.313 -0.419 17911 10149 1 19 . 1 1 4 4 THR H H 190 8.123 8.123 7.631 0.492 17911 10150 1 19 . 1 1 5 5 ALA N N 191 126.029 126.029 125.795 0.234 17911 10151 1 19 . 1 1 5 5 ALA HA H 191 4.247 4.247 4.195 0.052 17911 10152 1 19 . 1 1 5 5 ALA CA C 191 52.537 52.537 53.804 -1.267 17911 10153 1 19 . 1 1 5 5 ALA CB C 191 19.183 19.183 19.213 -0.030 17911 10154 1 19 . 1 1 5 5 ALA H H 191 8.284 8.284 8.198 0.086 17911 10155 1 19 . 1 1 6 6 GLN N N 192 119.614 119.614 114.759 4.855 17911 10156 1 19 . 1 1 6 6 GLN HA H 192 4.217 4.217 4.595 -0.378 17911 10157 1 19 . 1 1 6 6 GLN CA C 192 55.685 55.685 54.472 1.213 17911 10158 1 19 . 1 1 6 6 GLN CB C 192 29.513 29.513 31.337 -1.824 17911 10159 1 19 . 1 1 6 6 GLN H H 192 8.287 8.287 7.601 0.686 17911 10160 1 19 . 1 1 7 7 ALA N N 193 125.571 125.571 121.560 4.011 17911 10161 1 19 . 1 1 7 7 ALA HA H 193 4.246 4.246 4.746 -0.500 17911 10162 1 19 . 1 1 7 7 ALA CA C 193 52.537 52.537 51.508 1.029 17911 10163 1 19 . 1 1 7 7 ALA CB C 193 19.268 19.268 20.932 -1.664 17911 10164 1 19 . 1 1 7 7 ALA H H 193 8.271 8.271 8.227 0.044 17911 10165 1 19 . 1 1 8 8 ALA N N 194 123.461 123.461 124.206 -0.745 17911 10166 1 19 . 1 1 8 8 ALA HA H 194 4.250 4.250 4.195 0.055 17911 10167 1 19 . 1 1 8 8 ALA CA C 194 52.593 52.593 52.392 0.201 17911 10168 1 19 . 1 1 8 8 ALA CB C 194 19.324 19.324 19.360 -0.036 17911 10169 1 19 . 1 1 8 8 ALA H H 194 8.275 8.275 8.393 -0.118 17911 10170 1 19 . 1 1 9 9 GLY N N 195 108.312 108.312 110.127 -1.815 17911 10171 1 19 . 1 1 9 9 GLY CA C 195 45.219 45.219 46.071 -0.852 17911 10172 1 19 . 1 1 9 9 GLY H H 195 8.328 8.328 8.778 -0.450 17911 10173 1 19 . 1 1 10 10 THR N N 196 112.710 112.710 113.133 -0.423 17911 10174 1 19 . 1 1 10 10 THR HA H 196 4.334 4.334 3.880 0.454 17911 10175 1 19 . 1 1 10 10 THR CA C 196 61.471 61.471 63.622 -2.151 17911 10176 1 19 . 1 1 10 10 THR CB C 196 69.894 69.894 66.704 3.190 17911 10177 1 19 . 1 1 10 10 THR H H 196 7.998 7.998 8.078 -0.080 17911 10178 1 19 . 1 1 11 11 ASP N N 197 122.862 122.862 116.592 6.270 17911 10179 1 19 . 1 1 11 11 ASP HA H 197 4.609 4.609 4.178 0.431 17911 10180 1 19 . 1 1 11 11 ASP CA C 197 54.262 54.262 56.270 -2.008 17911 10181 1 19 . 1 1 11 11 ASP CB C 197 41.135 41.135 40.712 0.422 17911 10182 1 19 . 1 1 11 11 ASP H H 197 8.404 8.404 8.439 -0.035 17911 10183 1 19 . 1 1 12 12 THR N N 198 114.709 114.709 110.150 4.559 17911 10184 1 19 . 1 1 12 12 THR HA H 198 4.400 4.400 3.976 0.424 17911 10185 1 19 . 1 1 12 12 THR CA C 198 61.223 61.223 64.265 -3.042 17911 10186 1 19 . 1 1 12 12 THR CB C 198 70.490 70.490 68.485 2.005 17911 10187 1 19 . 1 1 12 12 THR H H 198 7.895 7.895 7.793 0.102 17911 10188 1 19 . 1 1 13 13 THR N N 199 122.785 122.785 116.344 6.441 17911 10189 1 19 . 1 1 13 13 THR HA H 199 3.961 3.961 4.464 -0.503 17911 10190 1 19 . 1 1 13 13 THR CA C 199 63.286 63.286 61.425 1.861 17911 10191 1 19 . 1 1 13 13 THR CB C 199 68.958 68.958 70.430 -1.472 17911 10192 1 19 . 1 1 13 13 THR H H 199 8.354 8.354 8.045 0.309 17911 10193 1 19 . 1 1 14 14 ILE N N 200 127.902 127.902 129.790 -1.888 17911 10194 1 19 . 1 1 14 14 ILE HA H 200 3.807 3.807 4.275 -0.468 17911 10195 1 19 . 1 1 14 14 ILE CA C 200 60.965 60.965 61.596 -0.631 17911 10196 1 19 . 1 1 14 14 ILE CB C 200 35.860 35.860 35.979 -0.119 17911 10197 1 19 . 1 1 14 14 ILE H H 200 9.362 9.362 9.340 0.022 17911 10198 1 19 . 1 1 15 15 THR N N 201 130.379 130.379 122.316 8.063 17911 10199 1 19 . 1 1 15 15 THR HA H 201 3.521 3.521 4.006 -0.485 17911 10200 1 19 . 1 1 15 15 THR CA C 201 66.637 66.637 67.000 -0.363 17911 10201 1 19 . 1 1 15 15 THR CB C 201 67.411 67.411 68.553 -1.142 17911 10202 1 19 . 1 1 15 15 THR H H 201 7.834 7.834 8.120 -0.286 17911 10203 1 19 . 1 1 16 16 LEU N N 202 120.049 120.049 121.575 -1.526 17911 10204 1 19 . 1 1 16 16 LEU HA H 202 3.715 3.715 4.050 -0.335 17911 10205 1 19 . 1 1 16 16 LEU CA C 202 58.387 58.387 58.619 -0.232 17911 10206 1 19 . 1 1 16 16 LEU CB C 202 43.148 43.148 41.944 1.204 17911 10207 1 19 . 1 1 16 16 LEU H H 202 8.913 8.913 8.518 0.395 17911 10208 1 19 . 1 1 17 17 ASN N N 203 117.390 117.390 117.418 -0.028 17911 10209 1 19 . 1 1 17 17 ASN HA H 203 4.594 4.594 4.653 -0.059 17911 10210 1 19 . 1 1 17 17 ASN CA C 203 54.520 54.520 55.994 -1.474 17911 10211 1 19 . 1 1 17 17 ASN CB C 203 37.246 37.246 38.051 -0.805 17911 10212 1 19 . 1 1 17 17 ASN H H 203 6.926 6.926 7.942 -1.016 17911 10213 1 19 . 1 1 18 18 VAL N N 204 123.434 123.434 122.212 1.222 17911 10214 1 19 . 1 1 18 18 VAL HA H 204 4.242 4.242 3.915 0.327 17911 10215 1 19 . 1 1 18 18 VAL CA C 204 66.236 66.236 66.623 -0.387 17911 10216 1 19 . 1 1 18 18 VAL CB C 204 31.605 31.605 31.795 -0.190 17911 10217 1 19 . 1 1 18 18 VAL H H 204 7.660 7.660 7.704 -0.044 17911 10218 1 19 . 1 1 19 19 LEU N N 205 117.301 117.301 120.301 -3.000 17911 10219 1 19 . 1 1 19 19 LEU HA H 205 3.945 3.945 3.921 0.024 17911 10220 1 19 . 1 1 19 19 LEU CA C 205 58.408 58.408 58.248 0.160 17911 10221 1 19 . 1 1 19 19 LEU CB C 205 42.918 42.918 41.219 1.699 17911 10222 1 19 . 1 1 19 19 LEU H H 205 8.573 8.573 8.466 0.107 17911 10223 1 19 . 1 1 20 20 ALA N N 206 120.290 120.290 122.202 -1.912 17911 10224 1 19 . 1 1 20 20 ALA HA H 206 4.012 4.012 4.196 -0.184 17911 10225 1 19 . 1 1 20 20 ALA CA C 206 56.195 56.195 55.446 0.749 17911 10226 1 19 . 1 1 20 20 ALA CB C 206 17.911 17.911 18.446 -0.535 17911 10227 1 19 . 1 1 20 20 ALA H H 206 8.188 8.188 8.509 -0.321 17911 10228 1 19 . 1 1 21 21 TRP N N 207 121.219 121.219 120.707 0.512 17911 10229 1 19 . 1 1 21 21 TRP HA H 207 4.110 4.110 4.037 0.073 17911 10230 1 19 . 1 1 21 21 TRP CA C 207 61.224 61.224 61.738 -0.514 17911 10231 1 19 . 1 1 21 21 TRP CB C 207 28.712 28.712 29.309 -0.597 17911 10232 1 19 . 1 1 21 21 TRP H H 207 8.406 8.406 8.391 0.015 17911 10233 1 19 . 1 1 22 22 LEU HA H 208 3.517 3.517 3.466 0.051 17911 10234 1 19 . 1 1 22 22 LEU CA C 208 57.897 57.897 58.002 -0.105 17911 10235 1 19 . 1 1 22 22 LEU CB C 208 40.880 40.880 41.282 -0.402 17911 10236 1 19 . 1 1 22 22 LEU H H 208 8.620 8.620 8.594 0.026 17911 10237 1 19 . 1 1 23 23 TYR N N 209 117.656 117.656 119.148 -1.492 17911 10238 1 19 . 1 1 23 23 TYR HA H 209 3.956 3.956 4.092 -0.136 17911 10239 1 19 . 1 1 23 23 TYR CA C 209 64.704 64.704 62.018 2.686 17911 10240 1 19 . 1 1 23 23 TYR CB C 209 38.793 38.793 37.526 1.267 17911 10241 1 19 . 1 1 23 23 TYR H H 209 8.368 8.368 8.542 -0.174 17911 10242 1 19 . 1 1 24 24 ALA N N 210 122.658 122.658 121.379 1.279 17911 10243 1 19 . 1 1 24 24 ALA HA H 210 3.837 3.837 3.811 0.026 17911 10244 1 19 . 1 1 24 24 ALA CA C 210 55.036 55.036 54.945 0.091 17911 10245 1 19 . 1 1 24 24 ALA CB C 210 17.311 17.311 17.676 -0.365 17911 10246 1 19 . 1 1 24 24 ALA H H 210 8.461 8.461 7.984 0.477 17911 10247 1 19 . 1 1 25 25 ALA N N 211 123.868 123.868 121.271 2.597 17911 10248 1 19 . 1 1 25 25 ALA HA H 211 3.761 3.761 3.789 -0.028 17911 10249 1 19 . 1 1 25 25 ALA CA C 211 55.551 55.551 54.580 0.971 17911 10250 1 19 . 1 1 25 25 ALA CB C 211 17.992 17.992 18.084 -0.091 17911 10251 1 19 . 1 1 25 25 ALA H H 211 8.564 8.564 7.879 0.685 17911 10252 1 19 . 1 1 26 26 VAL N N 212 119.783 119.783 119.234 0.549 17911 10253 1 19 . 1 1 26 26 VAL HA H 212 3.487 3.487 3.478 0.009 17911 10254 1 19 . 1 1 26 26 VAL CA C 212 66.576 66.576 66.547 0.029 17911 10255 1 19 . 1 1 26 26 VAL CB C 212 31.575 31.575 31.135 0.440 17911 10256 1 19 . 1 1 26 26 VAL H H 212 8.008 8.008 8.194 -0.186 17911 10257 1 19 . 1 1 27 27 ILE N N 213 124.428 124.428 120.732 3.696 17911 10258 1 19 . 1 1 27 27 ILE HA H 213 3.559 3.559 3.721 -0.162 17911 10259 1 19 . 1 1 27 27 ILE CA C 213 65.526 65.526 64.811 0.715 17911 10260 1 19 . 1 1 27 27 ILE CB C 213 37.902 37.902 37.652 0.250 17911 10261 1 19 . 1 1 27 27 ILE H H 213 8.576 8.576 8.548 0.028 17911 10262 1 19 . 1 1 28 28 ASN N N 214 116.563 116.563 116.360 0.203 17911 10263 1 19 . 1 1 28 28 ASN HA H 214 4.565 4.565 4.666 -0.101 17911 10264 1 19 . 1 1 28 28 ASN CA C 214 54.579 54.579 53.735 0.844 17911 10265 1 19 . 1 1 28 28 ASN CB C 214 40.340 40.340 39.223 1.117 17911 10266 1 19 . 1 1 28 28 ASN H H 214 7.714 7.714 8.043 -0.328 17911 10267 1 19 . 1 1 29 29 GLY N N 215 107.004 107.004 107.820 -0.816 17911 10268 1 19 . 1 1 29 29 GLY CA C 215 45.683 45.683 45.103 0.580 17911 10269 1 19 . 1 1 29 29 GLY H H 215 7.861 7.861 7.840 0.021 17911 10270 1 19 . 1 1 30 30 ASP N N 216 125.780 125.780 121.067 4.713 17911 10271 1 19 . 1 1 30 30 ASP HA H 216 5.019 5.019 4.534 0.485 17911 10272 1 19 . 1 1 30 30 ASP CA C 216 53.643 53.643 54.246 -0.603 17911 10273 1 19 . 1 1 30 30 ASP CB C 216 41.561 41.561 40.361 1.200 17911 10274 1 19 . 1 1 30 30 ASP H H 216 8.560 8.560 8.311 0.249 17911 10275 1 19 . 1 1 31 31 ARG N N 217 115.297 115.297 118.252 -2.955 17911 10276 1 19 . 1 1 31 31 ARG HA H 217 3.711 3.711 2.760 0.951 17911 10277 1 19 . 1 1 31 31 ARG CA C 217 54.520 54.520 57.024 -2.504 17911 10278 1 19 . 1 1 31 31 ARG CB C 217 32.116 32.116 27.955 4.161 17911 10279 1 19 . 1 1 31 31 ARG H H 217 7.984 7.984 8.233 -0.249 17911 10280 1 19 . 1 1 32 32 TRP N N 218 119.754 119.754 119.309 0.445 17911 10281 1 19 . 1 1 32 32 TRP HA H 218 4.120 4.120 4.301 -0.181 17911 10282 1 19 . 1 1 32 32 TRP CA C 218 58.387 58.387 58.152 0.235 17911 10283 1 19 . 1 1 32 32 TRP CB C 218 28.372 28.372 28.171 0.201 17911 10284 1 19 . 1 1 32 32 TRP H H 218 7.368 7.368 6.775 0.593 17911 10285 1 19 . 1 1 33 33 PHE HA H 219 3.919 3.919 4.605 -0.686 17911 10286 1 19 . 1 1 33 33 PHE CA C 219 55.315 55.315 57.286 -1.971 17911 10287 1 19 . 1 1 33 33 PHE CB C 219 37.277 37.277 38.130 -0.853 17911 10288 1 19 . 1 1 34 34 LEU N N 220 122.632 122.632 120.353 2.279 17911 10289 1 19 . 1 1 34 34 LEU HA H 220 3.931 3.931 4.096 -0.165 17911 10290 1 19 . 1 1 34 34 LEU CA C 220 55.315 55.315 55.211 0.104 17911 10291 1 19 . 1 1 34 34 LEU CB C 220 40.790 40.790 42.234 -1.444 17911 10292 1 19 . 1 1 34 34 LEU H H 220 6.447 6.447 7.093 -0.646 17911 10293 1 19 . 1 1 35 35 ASN N N 221 119.503 119.503 119.173 0.330 17911 10294 1 19 . 1 1 35 35 ASN HA H 221 4.709 4.709 4.912 -0.203 17911 10295 1 19 . 1 1 35 35 ASN CA C 221 52.026 52.026 52.137 -0.111 17911 10296 1 19 . 1 1 35 35 ASN CB C 221 40.598 40.598 40.887 -0.289 17911 10297 1 19 . 1 1 35 35 ASN H H 221 8.105 8.105 8.514 -0.409 17911 10298 1 19 . 1 1 36 36 ARG N N 222 116.408 116.408 119.537 -3.129 17911 10299 1 19 . 1 1 36 36 ARG HA H 222 4.293 4.293 4.027 0.266 17911 10300 1 19 . 1 1 36 36 ARG CA C 222 55.600 55.600 56.450 -0.850 17911 10301 1 19 . 1 1 36 36 ARG CB C 222 28.997 28.997 30.091 -1.094 17911 10302 1 19 . 1 1 36 36 ARG H H 222 8.099 8.099 8.354 -0.255 17911 10303 1 19 . 1 1 37 37 PHE N N 223 120.398 120.398 116.364 4.034 17911 10304 1 19 . 1 1 37 37 PHE HA H 223 4.813 4.813 4.721 0.092 17911 10305 1 19 . 1 1 37 37 PHE CA C 223 56.081 56.081 55.233 0.848 17911 10306 1 19 . 1 1 37 37 PHE CB C 223 40.085 40.085 41.657 -1.571 17911 10307 1 19 . 1 1 37 37 PHE H H 223 7.842 7.842 7.402 0.440 17911 10308 1 19 . 1 1 38 38 THR N N 224 112.040 112.040 112.683 -0.643 17911 10309 1 19 . 1 1 38 38 THR HA H 224 4.653 4.653 4.512 0.141 17911 10310 1 19 . 1 1 38 38 THR CA C 224 60.708 60.708 61.539 -0.831 17911 10311 1 19 . 1 1 38 38 THR CB C 224 71.000 71.000 69.910 1.090 17911 10312 1 19 . 1 1 38 38 THR H H 224 8.231 8.231 8.516 -0.285 17911 10313 1 19 . 1 1 39 39 THR N N 225 116.627 116.627 113.758 2.869 17911 10314 1 19 . 1 1 39 39 THR HA H 225 4.925 4.925 4.626 0.299 17911 10315 1 19 . 1 1 39 39 THR CA C 225 59.677 59.677 59.792 -0.115 17911 10316 1 19 . 1 1 39 39 THR CB C 225 69.989 69.989 70.913 -0.924 17911 10317 1 19 . 1 1 39 39 THR H H 225 8.107 8.107 7.961 0.146 17911 10318 1 19 . 1 1 40 40 THR N N 226 111.263 111.263 116.108 -4.845 17911 10319 1 19 . 1 1 40 40 THR HA H 226 4.727 4.727 4.522 0.205 17911 10320 1 19 . 1 1 40 40 THR CA C 226 59.740 59.740 61.003 -1.263 17911 10321 1 19 . 1 1 40 40 THR CB C 226 72.052 72.052 70.259 1.793 17911 10322 1 19 . 1 1 40 40 THR H H 226 8.481 8.481 8.186 0.295 17911 10323 1 19 . 1 1 41 41 LEU N N 227 123.989 123.989 125.227 -1.238 17911 10324 1 19 . 1 1 41 41 LEU HA H 227 3.986 3.986 4.179 -0.193 17911 10325 1 19 . 1 1 41 41 LEU CA C 227 58.903 58.903 58.002 0.901 17911 10326 1 19 . 1 1 41 41 LEU CB C 227 41.561 41.561 41.824 -0.263 17911 10327 1 19 . 1 1 41 41 LEU H H 227 9.259 9.259 8.914 0.345 17911 10328 1 19 . 1 1 42 42 ASN N N 228 115.183 115.183 117.075 -1.892 17911 10329 1 19 . 1 1 42 42 ASN HA H 228 4.435 4.435 4.428 0.008 17911 10330 1 19 . 1 1 42 42 ASN CA C 228 56.961 56.961 57.796 -0.835 17911 10331 1 19 . 1 1 42 42 ASN CB C 228 38.497 38.497 37.848 0.649 17911 10332 1 19 . 1 1 42 42 ASN H H 228 8.598 8.598 8.477 0.121 17911 10333 1 19 . 1 1 43 43 ASP N N 229 118.746 118.746 120.544 -1.798 17911 10334 1 19 . 1 1 43 43 ASP HA H 229 4.367 4.367 4.426 -0.059 17911 10335 1 19 . 1 1 43 43 ASP CA C 229 57.387 57.387 57.297 0.090 17911 10336 1 19 . 1 1 43 43 ASP CB C 229 40.625 40.625 40.981 -0.356 17911 10337 1 19 . 1 1 43 43 ASP H H 229 7.847 7.847 7.950 -0.103 17911 10338 1 19 . 1 1 44 44 PHE N N 230 120.193 120.193 120.864 -0.671 17911 10339 1 19 . 1 1 44 44 PHE HA H 230 3.808 3.808 4.085 -0.277 17911 10340 1 19 . 1 1 44 44 PHE CA C 230 62.747 62.747 61.892 0.855 17911 10341 1 19 . 1 1 44 44 PHE CB C 230 38.753 38.753 39.171 -0.418 17911 10342 1 19 . 1 1 44 44 PHE H H 230 8.547 8.547 8.370 0.177 17911 10343 1 19 . 1 1 45 45 ASN N N 231 118.852 118.852 118.268 0.584 17911 10344 1 19 . 1 1 45 45 ASN HA H 231 4.472 4.472 4.256 0.216 17911 10345 1 19 . 1 1 45 45 ASN CA C 231 55.344 55.344 56.194 -0.850 17911 10346 1 19 . 1 1 45 45 ASN CB C 231 37.391 37.391 38.124 -0.733 17911 10347 1 19 . 1 1 45 45 ASN H H 231 8.727 8.727 8.496 0.231 17911 10348 1 19 . 1 1 46 46 LEU N N 232 120.221 120.221 120.904 -0.683 17911 10349 1 19 . 1 1 46 46 LEU HA H 232 4.065 4.065 4.007 0.058 17911 10350 1 19 . 1 1 46 46 LEU CA C 232 58.152 58.152 58.213 -0.061 17911 10351 1 19 . 1 1 46 46 LEU CB C 232 42.071 42.071 41.785 0.286 17911 10352 1 19 . 1 1 46 46 LEU H H 232 7.516 7.516 8.533 -1.017 17911 10353 1 19 . 1 1 47 47 VAL N N 233 119.649 119.649 118.813 0.836 17911 10354 1 19 . 1 1 47 47 VAL HA H 233 3.604 3.604 3.543 0.061 17911 10355 1 19 . 1 1 47 47 VAL CA C 233 65.864 65.864 66.214 -0.350 17911 10356 1 19 . 1 1 47 47 VAL CB C 233 31.575 31.575 31.188 0.387 17911 10357 1 19 . 1 1 47 47 VAL H H 233 6.987 6.987 8.111 -1.124 17911 10358 1 19 . 1 1 48 48 ALA N N 234 122.056 122.056 122.192 -0.136 17911 10359 1 19 . 1 1 48 48 ALA HA H 234 3.451 3.451 3.851 -0.400 17911 10360 1 19 . 1 1 48 48 ALA CA C 234 55.741 55.741 55.104 0.637 17911 10361 1 19 . 1 1 48 48 ALA CB C 234 16.971 16.971 18.066 -1.095 17911 10362 1 19 . 1 1 48 48 ALA H H 234 8.480 8.480 8.172 0.308 17911 10363 1 19 . 1 1 49 49 MET N N 235 114.180 114.180 118.430 -4.250 17911 10364 1 19 . 1 1 49 49 MET HA H 235 4.272 4.272 4.029 0.243 17911 10365 1 19 . 1 1 49 49 MET CA C 235 59.003 59.003 59.209 -0.206 17911 10366 1 19 . 1 1 49 49 MET CB C 235 32.967 32.967 32.544 0.423 17911 10367 1 19 . 1 1 49 49 MET H H 235 7.950 7.950 8.342 -0.392 17911 10368 1 19 . 1 1 50 50 LYS N N 236 120.217 120.217 119.727 0.490 17911 10369 1 19 . 1 1 50 50 LYS HA H 236 3.945 3.945 3.841 0.104 17911 10370 1 19 . 1 1 50 50 LYS CA C 236 58.378 58.378 58.634 -0.256 17911 10371 1 19 . 1 1 50 50 LYS CB C 236 31.833 31.833 32.307 -0.474 17911 10372 1 19 . 1 1 50 50 LYS H H 236 7.378 7.378 7.943 -0.565 17911 10373 1 19 . 1 1 51 51 TYR N N 237 115.853 115.853 115.032 0.821 17911 10374 1 19 . 1 1 51 51 TYR HA H 237 4.462 4.462 4.633 -0.171 17911 10375 1 19 . 1 1 51 51 TYR CA C 237 58.293 58.293 56.571 1.722 17911 10376 1 19 . 1 1 51 51 TYR CB C 237 38.668 38.668 37.723 0.945 17911 10377 1 19 . 1 1 51 51 TYR H H 237 7.392 7.392 7.337 0.055 17911 10378 1 19 . 1 1 52 52 ASN N N 238 115.965 115.965 117.119 -1.154 17911 10379 1 19 . 1 1 52 52 ASN HA H 238 4.403 4.403 4.366 0.037 17911 10380 1 19 . 1 1 52 52 ASN CA C 238 54.834 54.834 54.462 0.371 17911 10381 1 19 . 1 1 52 52 ASN CB C 238 36.881 36.881 37.534 -0.653 17911 10382 1 19 . 1 1 52 52 ASN H H 238 7.914 7.914 7.669 0.245 17911 10383 1 19 . 1 1 53 53 TYR N N 239 120.379 120.379 117.272 3.107 17911 10384 1 19 . 1 1 53 53 TYR HA H 239 4.675 4.675 4.716 -0.041 17911 10385 1 19 . 1 1 53 53 TYR CA C 239 57.387 57.387 56.632 0.755 17911 10386 1 19 . 1 1 53 53 TYR CB C 239 37.788 37.788 40.180 -2.392 17911 10387 1 19 . 1 1 53 53 TYR H H 239 8.341 8.341 8.261 0.080 17911 10388 1 19 . 1 1 54 54 GLU N N 240 122.559 122.559 121.887 0.672 17911 10389 1 19 . 1 1 54 54 GLU HA H 240 4.317 4.317 4.374 -0.057 17911 10390 1 19 . 1 1 54 54 GLU CA C 240 54.579 54.579 55.712 -1.133 17911 10391 1 19 . 1 1 54 54 GLU CB C 240 30.802 30.802 29.933 0.869 17911 10392 1 19 . 1 1 54 54 GLU H H 240 8.114 8.114 8.645 -0.531 17911 10393 1 19 . 1 1 55 55 PRO HA H 241 4.314 4.314 4.442 -0.128 17911 10394 1 19 . 1 1 55 55 PRO CA C 241 62.973 62.973 62.709 0.264 17911 10395 1 19 . 1 1 55 55 PRO CB C 241 31.917 31.917 32.599 -0.682 17911 10396 1 19 . 1 1 56 56 LEU N N 242 124.468 124.468 119.877 4.591 17911 10397 1 19 . 1 1 56 56 LEU HA H 242 5.200 5.200 4.740 0.460 17911 10398 1 19 . 1 1 56 56 LEU CA C 242 53.747 53.747 53.945 -0.198 17911 10399 1 19 . 1 1 56 56 LEU CB C 242 45.560 45.560 46.520 -0.960 17911 10400 1 19 . 1 1 56 56 LEU H H 242 9.650 9.650 9.128 0.522 17911 10401 1 19 . 1 1 57 57 THR N N 243 116.700 116.700 113.143 3.557 17911 10402 1 19 . 1 1 57 57 THR HA H 243 4.664 4.664 4.873 -0.209 17911 10403 1 19 . 1 1 57 57 THR CA C 243 59.429 59.429 59.954 -0.525 17911 10404 1 19 . 1 1 57 57 THR CB C 243 71.851 71.851 71.615 0.236 17911 10405 1 19 . 1 1 57 57 THR H H 243 9.279 9.279 8.603 0.676 17911 10406 1 19 . 1 1 58 58 GLN N N 244 119.764 119.764 121.469 -1.705 17911 10407 1 19 . 1 1 58 58 GLN HA H 244 3.827 3.827 4.048 -0.221 17911 10408 1 19 . 1 1 58 58 GLN CA C 244 58.130 58.130 59.442 -1.312 17911 10409 1 19 . 1 1 58 58 GLN CB C 244 27.777 27.777 28.347 -0.570 17911 10410 1 19 . 1 1 58 58 GLN H H 244 8.959 8.959 8.984 -0.025 17911 10411 1 19 . 1 1 59 59 ASP N N 245 117.059 117.059 117.641 -0.582 17911 10412 1 19 . 1 1 59 59 ASP HA H 245 4.325 4.325 4.359 -0.034 17911 10413 1 19 . 1 1 59 59 ASP CA C 245 57.301 57.301 57.146 0.155 17911 10414 1 19 . 1 1 59 59 ASP CB C 245 40.029 40.029 40.548 -0.519 17911 10415 1 19 . 1 1 59 59 ASP H H 245 7.838 7.838 8.750 -0.912 17911 10416 1 19 . 1 1 60 60 HIS N N 246 119.076 119.076 118.605 0.471 17911 10417 1 19 . 1 1 60 60 HIS HA H 246 4.296 4.296 4.442 -0.146 17911 10418 1 19 . 1 1 60 60 HIS CA C 246 58.645 58.645 59.030 -0.385 17911 10419 1 19 . 1 1 60 60 HIS CB C 246 32.864 32.864 30.074 2.790 17911 10420 1 19 . 1 1 60 60 HIS H H 246 7.333 7.333 7.469 -0.136 17911 10421 1 19 . 1 1 61 61 VAL N N 247 118.215 118.215 120.144 -1.929 17911 10422 1 19 . 1 1 61 61 VAL HA H 247 3.400 3.400 3.638 -0.238 17911 10423 1 19 . 1 1 61 61 VAL CA C 247 67.257 67.257 66.574 0.683 17911 10424 1 19 . 1 1 61 61 VAL CB C 247 31.010 31.010 31.931 -0.921 17911 10425 1 19 . 1 1 61 61 VAL H H 247 7.565 7.565 8.364 -0.799 17911 10426 1 19 . 1 1 62 62 ASP N N 248 119.651 119.651 120.352 -0.701 17911 10427 1 19 . 1 1 62 62 ASP HA H 248 4.358 4.358 4.342 0.016 17911 10428 1 19 . 1 1 62 62 ASP CA C 248 57.557 57.557 57.462 0.094 17911 10429 1 19 . 1 1 62 62 ASP CB C 248 40.027 40.027 40.861 -0.834 17911 10430 1 19 . 1 1 62 62 ASP H H 248 8.142 8.142 8.303 -0.161 17911 10431 1 19 . 1 1 63 63 ILE N N 249 123.545 123.545 120.174 3.371 17911 10432 1 19 . 1 1 63 63 ILE HA H 249 3.756 3.756 3.899 -0.143 17911 10433 1 19 . 1 1 63 63 ILE CA C 249 64.832 64.832 64.663 0.169 17911 10434 1 19 . 1 1 63 63 ILE CB C 249 37.817 37.817 38.108 -0.291 17911 10435 1 19 . 1 1 63 63 ILE H H 249 8.017 8.017 7.513 0.504 17911 10436 1 19 . 1 1 64 64 LEU N N 250 117.125 117.125 119.411 -2.286 17911 10437 1 19 . 1 1 64 64 LEU HA H 250 4.094 4.094 4.242 -0.148 17911 10438 1 19 . 1 1 64 64 LEU CA C 250 55.004 55.004 55.775 -0.771 17911 10439 1 19 . 1 1 64 64 LEU CB C 250 42.662 42.662 40.998 1.664 17911 10440 1 19 . 1 1 64 64 LEU H H 250 7.217 7.217 7.834 -0.617 17911 10441 1 19 . 1 1 65 65 GLY N N 251 108.388 108.388 109.258 -0.870 17911 10442 1 19 . 1 1 65 65 GLY CA C 251 48.708 48.708 48.382 0.326 17911 10443 1 19 . 1 1 65 65 GLY H H 251 7.794 7.794 8.251 -0.457 17911 10444 1 19 . 1 1 66 66 PRO HA H 252 4.243 4.243 4.076 0.167 17911 10445 1 19 . 1 1 66 66 PRO CA C 252 66.036 66.036 64.603 1.433 17911 10446 1 19 . 1 1 66 66 PRO CB C 252 32.172 32.172 30.992 1.180 17911 10447 1 19 . 1 1 67 67 LEU N N 253 117.852 117.852 115.141 2.711 17911 10448 1 19 . 1 1 67 67 LEU HA H 253 3.866 3.866 4.232 -0.366 17911 10449 1 19 . 1 1 67 67 LEU CA C 253 57.301 57.301 55.552 1.749 17911 10450 1 19 . 1 1 67 67 LEU CB C 253 40.539 40.539 42.480 -1.941 17911 10451 1 19 . 1 1 67 67 LEU H H 253 7.344 7.344 7.610 -0.266 17911 10452 1 19 . 1 1 68 68 SER N N 254 117.191 117.191 116.470 0.721 17911 10453 1 19 . 1 1 68 68 SER HA H 254 4.154 4.154 4.030 0.124 17911 10454 1 19 . 1 1 68 68 SER CA C 254 60.705 60.705 60.978 -0.273 17911 10455 1 19 . 1 1 68 68 SER CB C 254 63.286 63.286 63.128 0.158 17911 10456 1 19 . 1 1 68 68 SER H H 254 7.883 7.883 7.772 0.111 17911 10457 1 19 . 1 1 69 69 ALA N N 255 123.895 123.895 123.663 0.232 17911 10458 1 19 . 1 1 69 69 ALA HA H 255 4.078 4.078 4.112 -0.034 17911 10459 1 19 . 1 1 69 69 ALA CA C 255 54.749 54.749 54.796 -0.047 17911 10460 1 19 . 1 1 69 69 ALA CB C 255 17.992 17.992 18.108 -0.116 17911 10461 1 19 . 1 1 69 69 ALA H H 255 8.592 8.592 7.913 0.679 17911 10462 1 19 . 1 1 70 70 GLN N N 256 116.528 116.528 113.886 2.642 17911 10463 1 19 . 1 1 70 70 GLN HA H 256 4.011 4.011 4.274 -0.263 17911 10464 1 19 . 1 1 70 70 GLN CA C 256 58.634 58.634 56.777 1.857 17911 10465 1 19 . 1 1 70 70 GLN CB C 256 28.939 28.939 29.183 -0.244 17911 10466 1 19 . 1 1 70 70 GLN H H 256 7.744 7.744 7.785 -0.041 17911 10467 1 19 . 1 1 71 71 THR N N 257 103.056 103.056 108.115 -5.059 17911 10468 1 19 . 1 1 71 71 THR HA H 257 4.277 4.277 4.518 -0.241 17911 10469 1 19 . 1 1 71 71 THR CA C 257 62.236 62.236 61.472 0.764 17911 10470 1 19 . 1 1 71 71 THR CB C 257 72.277 72.277 71.404 0.873 17911 10471 1 19 . 1 1 71 71 THR H H 257 7.401 7.401 7.729 -0.328 17911 10472 1 19 . 1 1 72 72 GLY N N 258 111.697 111.697 110.748 0.949 17911 10473 1 19 . 1 1 72 72 GLY CA C 258 45.900 45.900 45.448 0.452 17911 10474 1 19 . 1 1 72 72 GLY H H 258 8.113 8.113 8.419 -0.306 17911 10475 1 19 . 1 1 73 73 ILE N N 259 120.078 120.078 124.397 -4.319 17911 10476 1 19 . 1 1 73 73 ILE HA H 259 4.451 4.451 4.157 0.294 17911 10477 1 19 . 1 1 73 73 ILE CA C 259 58.903 58.903 59.277 -0.374 17911 10478 1 19 . 1 1 73 73 ILE CB C 259 38.497 38.497 35.977 2.520 17911 10479 1 19 . 1 1 73 73 ILE H H 259 7.598 7.598 7.668 -0.070 17911 10480 1 19 . 1 1 74 74 ALA N N 260 107.454 107.454 132.118 -24.664 17911 10481 1 19 . 1 1 74 74 ALA HA H 260 4.178 4.178 4.339 -0.161 17911 10482 1 19 . 1 1 74 74 ALA CA C 260 52.622 52.622 52.353 0.269 17911 10483 1 19 . 1 1 74 74 ALA CB C 260 18.417 18.417 19.524 -1.107 17911 10484 1 19 . 1 1 74 74 ALA H H 260 9.477 9.477 8.529 0.948 17911 10485 1 19 . 1 1 75 75 VAL N N 261 124.569 124.569 122.039 2.530 17911 10486 1 19 . 1 1 75 75 VAL HA H 261 4.095 4.095 3.815 0.280 17911 10487 1 19 . 1 1 75 75 VAL CA C 261 66.637 66.637 65.519 1.118 17911 10488 1 19 . 1 1 75 75 VAL CB C 261 31.575 31.575 31.751 -0.176 17911 10489 1 19 . 1 1 75 75 VAL H H 261 8.927 8.927 8.744 0.183 17911 10490 1 19 . 1 1 76 76 LEU N N 262 117.285 117.285 118.578 -1.293 17911 10491 1 19 . 1 1 76 76 LEU HA H 262 3.827 3.827 3.952 -0.125 17911 10492 1 19 . 1 1 76 76 LEU CA C 262 58.067 58.067 57.153 0.914 17911 10493 1 19 . 1 1 76 76 LEU CB C 262 39.774 39.774 40.847 -1.073 17911 10494 1 19 . 1 1 76 76 LEU H H 262 8.949 8.949 8.084 0.865 17911 10495 1 19 . 1 1 77 77 ASP N N 263 120.854 120.854 120.707 0.147 17911 10496 1 19 . 1 1 77 77 ASP HA H 263 4.639 4.639 4.488 0.151 17911 10497 1 19 . 1 1 77 77 ASP CA C 263 57.131 57.131 57.158 -0.027 17911 10498 1 19 . 1 1 77 77 ASP CB C 263 39.178 39.178 40.855 -1.677 17911 10499 1 19 . 1 1 77 77 ASP H H 263 7.011 7.011 7.977 -0.966 17911 10500 1 19 . 1 1 78 78 MET N N 264 124.661 124.661 120.984 3.677 17911 10501 1 19 . 1 1 78 78 MET HA H 264 4.343 4.343 4.118 0.225 17911 10502 1 19 . 1 1 78 78 MET CA C 264 57.131 57.131 57.832 -0.701 17911 10503 1 19 . 1 1 78 78 MET CB C 264 31.172 31.172 31.889 -0.717 17911 10504 1 19 . 1 1 78 78 MET H H 264 8.025 8.025 8.069 -0.044 17911 10505 1 19 . 1 1 79 79 CYS N N 265 117.740 117.740 118.186 -0.446 17911 10506 1 19 . 1 1 79 79 CYS HA H 265 3.534 3.534 3.744 -0.210 17911 10507 1 19 . 1 1 79 79 CYS CA C 265 64.317 64.317 63.602 0.715 17911 10508 1 19 . 1 1 79 79 CYS CB C 265 25.564 25.564 25.941 -0.377 17911 10509 1 19 . 1 1 79 79 CYS H H 265 8.703 8.703 8.572 0.131 17911 10510 1 19 . 1 1 80 80 ALA N N 266 123.346 123.346 122.077 1.269 17911 10511 1 19 . 1 1 80 80 ALA HA H 266 3.884 3.884 3.987 -0.103 17911 10512 1 19 . 1 1 80 80 ALA CA C 266 55.174 55.174 55.240 -0.066 17911 10513 1 19 . 1 1 80 80 ALA CB C 266 17.911 17.911 17.997 -0.086 17911 10514 1 19 . 1 1 80 80 ALA H H 266 7.745 7.745 7.803 -0.058 17911 10515 1 19 . 1 1 81 81 ALA N N 267 122.668 122.668 122.145 0.523 17911 10516 1 19 . 1 1 81 81 ALA HA H 267 4.236 4.236 4.186 0.050 17911 10517 1 19 . 1 1 81 81 ALA CA C 267 54.778 54.778 54.888 -0.110 17911 10518 1 19 . 1 1 81 81 ALA CB C 267 18.247 18.247 18.615 -0.368 17911 10519 1 19 . 1 1 81 81 ALA H H 267 7.513 7.513 8.135 -0.622 17911 10520 1 19 . 1 1 82 82 LEU N N 268 119.844 119.844 120.730 -0.886 17911 10521 1 19 . 1 1 82 82 LEU HA H 268 3.924 3.924 3.902 0.022 17911 10522 1 19 . 1 1 82 82 LEU CA C 268 57.613 57.613 58.232 -0.619 17911 10523 1 19 . 1 1 82 82 LEU CB C 268 40.681 40.681 42.024 -1.343 17911 10524 1 19 . 1 1 82 82 LEU H H 268 8.304 8.304 8.619 -0.315 17911 10525 1 19 . 1 1 83 83 LYS N N 269 119.140 119.140 119.260 -0.120 17911 10526 1 19 . 1 1 83 83 LYS HA H 269 3.629 3.629 3.886 -0.257 17911 10527 1 19 . 1 1 83 83 LYS CA C 269 60.279 60.279 60.221 0.058 17911 10528 1 19 . 1 1 83 83 LYS CB C 269 33.052 33.052 32.500 0.552 17911 10529 1 19 . 1 1 83 83 LYS H H 269 8.881 8.881 8.624 0.257 17911 10530 1 19 . 1 1 84 84 GLU N N 270 116.647 116.647 120.167 -3.520 17911 10531 1 19 . 1 1 84 84 GLU HA H 270 4.085 4.085 4.116 -0.031 17911 10532 1 19 . 1 1 84 84 GLU CA C 270 58.903 58.903 59.218 -0.315 17911 10533 1 19 . 1 1 84 84 GLU CB C 270 29.223 29.223 29.395 -0.172 17911 10534 1 19 . 1 1 84 84 GLU H H 270 7.107 7.107 8.132 -1.025 17911 10535 1 19 . 1 1 85 85 LEU N N 271 120.657 120.657 120.293 0.364 17911 10536 1 19 . 1 1 85 85 LEU HA H 271 3.992 3.992 4.291 -0.299 17911 10537 1 19 . 1 1 85 85 LEU CA C 271 57.872 57.872 57.727 0.145 17911 10538 1 19 . 1 1 85 85 LEU CB C 271 42.326 42.326 41.860 0.466 17911 10539 1 19 . 1 1 85 85 LEU H H 271 7.757 7.757 8.262 -0.505 17911 10540 1 19 . 1 1 86 86 LEU N N 272 119.651 119.651 119.361 0.290 17911 10541 1 19 . 1 1 86 86 LEU HA H 272 3.535 3.535 3.852 -0.317 17911 10542 1 19 . 1 1 86 86 LEU CA C 272 57.356 57.356 57.315 0.041 17911 10543 1 19 . 1 1 86 86 LEU CB C 272 40.880 40.880 41.772 -0.892 17911 10544 1 19 . 1 1 86 86 LEU H H 272 8.336 8.336 8.440 -0.104 17911 10545 1 19 . 1 1 87 87 GLN N N 273 113.087 113.087 117.359 -4.272 17911 10546 1 19 . 1 1 87 87 GLN HA H 273 4.099 4.099 3.832 0.268 17911 10547 1 19 . 1 1 87 87 GLN CA C 273 58.387 58.387 57.709 0.678 17911 10548 1 19 . 1 1 87 87 GLN CB C 273 30.159 30.159 29.762 0.397 17911 10549 1 19 . 1 1 87 87 GLN H H 273 7.422 7.422 7.806 -0.384 17911 10550 1 19 . 1 1 88 88 ASN N N 274 113.925 113.925 114.072 -0.147 17911 10551 1 19 . 1 1 88 88 ASN HA H 274 4.921 4.921 4.925 -0.004 17911 10552 1 19 . 1 1 88 88 ASN CA C 274 53.747 53.747 52.803 0.944 17911 10553 1 19 . 1 1 88 88 ASN CB C 274 40.625 40.625 40.448 0.177 17911 10554 1 19 . 1 1 88 88 ASN H H 274 8.388 8.388 8.244 0.144 17911 10555 1 19 . 1 1 89 89 GLY N N 275 109.040 109.040 109.315 -0.275 17911 10556 1 19 . 1 1 89 89 GLY CA C 275 44.709 44.709 45.457 -0.748 17911 10557 1 19 . 1 1 89 89 GLY H H 275 7.698 7.698 8.071 -0.373 17911 10558 1 19 . 1 1 90 90 MET N N 276 115.183 115.183 117.536 -2.353 17911 10559 1 19 . 1 1 90 90 MET HA H 276 4.434 4.434 4.767 -0.333 17911 10560 1 19 . 1 1 90 90 MET CA C 276 56.791 56.791 54.680 2.111 17911 10561 1 19 . 1 1 90 90 MET CB C 276 33.637 33.637 33.486 0.151 17911 10562 1 19 . 1 1 90 90 MET H H 276 8.599 8.599 8.391 0.208 17911 10563 1 19 . 1 1 91 91 ASN N N 277 118.020 118.020 120.725 -2.705 17911 10564 1 19 . 1 1 91 91 ASN HA H 277 4.301 4.301 4.359 -0.058 17911 10565 1 19 . 1 1 91 91 ASN CA C 277 53.983 53.983 54.074 -0.091 17911 10566 1 19 . 1 1 91 91 ASN CB C 277 37.987 37.987 37.339 0.648 17911 10567 1 19 . 1 1 91 91 ASN H H 277 9.033 9.033 8.627 0.406 17911 10568 1 19 . 1 1 92 92 GLY N N 278 104.906 104.906 102.659 2.247 17911 10569 1 19 . 1 1 92 92 GLY CA C 278 45.645 45.645 45.027 0.618 17911 10570 1 19 . 1 1 92 92 GLY H H 278 8.538 8.538 8.588 -0.050 17911 10571 1 19 . 1 1 93 93 ARG N N 279 120.056 120.056 120.675 -0.619 17911 10572 1 19 . 1 1 93 93 ARG HA H 279 4.237 4.237 4.182 0.055 17911 10573 1 19 . 1 1 93 93 ARG CA C 279 55.344 55.344 56.476 -1.132 17911 10574 1 19 . 1 1 93 93 ARG CB C 279 31.491 31.491 30.859 0.632 17911 10575 1 19 . 1 1 93 93 ARG H H 279 7.257 7.257 7.858 -0.601 17911 10576 1 19 . 1 1 94 94 THR N N 280 106.223 106.223 110.916 -4.693 17911 10577 1 19 . 1 1 94 94 THR HA H 280 5.028 5.028 5.421 -0.393 17911 10578 1 19 . 1 1 94 94 THR CA C 280 59.684 59.684 60.847 -1.163 17911 10579 1 19 . 1 1 94 94 THR CB C 280 72.787 72.787 71.558 1.228 17911 10580 1 19 . 1 1 94 94 THR H H 280 7.726 7.726 8.222 -0.496 17911 10581 1 19 . 1 1 95 95 ILE N N 281 121.214 121.214 121.179 0.035 17911 10582 1 19 . 1 1 95 95 ILE HA H 281 4.301 4.301 4.542 -0.241 17911 10583 1 19 . 1 1 95 95 ILE CA C 281 62.066 62.066 60.812 1.254 17911 10584 1 19 . 1 1 95 95 ILE CB C 281 40.539 40.539 41.630 -1.091 17911 10585 1 19 . 1 1 95 95 ILE H H 281 8.761 8.761 8.948 -0.187 17911 10586 1 19 . 1 1 96 96 LEU N N 282 128.347 128.347 125.231 3.116 17911 10587 1 19 . 1 1 96 96 LEU HA H 282 3.850 3.850 3.928 -0.078 17911 10588 1 19 . 1 1 96 96 LEU CA C 282 55.344 55.344 55.945 -0.601 17911 10589 1 19 . 1 1 96 96 LEU CB C 282 40.539 40.539 39.858 0.681 17911 10590 1 19 . 1 1 96 96 LEU H H 282 9.905 9.905 9.325 0.580 17911 10591 1 19 . 1 1 97 97 GLY N N 283 103.322 103.322 103.409 -0.087 17911 10592 1 19 . 1 1 97 97 GLY CA C 283 45.645 45.645 44.737 0.908 17911 10593 1 19 . 1 1 97 97 GLY H H 283 8.937 8.937 8.340 0.597 17911 10594 1 19 . 1 1 98 98 SER N N 284 116.619 116.619 114.600 2.019 17911 10595 1 19 . 1 1 98 98 SER HA H 284 4.950 4.950 5.077 -0.127 17911 10596 1 19 . 1 1 98 98 SER CA C 284 56.961 56.961 55.779 1.182 17911 10597 1 19 . 1 1 98 98 SER CB C 284 65.044 65.044 64.286 0.758 17911 10598 1 19 . 1 1 98 98 SER H H 284 8.612 8.612 8.155 0.457 17911 10599 1 19 . 1 1 99 99 THR N N 285 114.513 114.513 115.833 -1.320 17911 10600 1 19 . 1 1 99 99 THR HA H 285 4.598 4.598 4.675 -0.077 17911 10601 1 19 . 1 1 99 99 THR CA C 285 61.739 61.739 62.844 -1.105 17911 10602 1 19 . 1 1 99 99 THR CB C 285 69.214 69.214 69.073 0.141 17911 10603 1 19 . 1 1 99 99 THR H H 285 8.601 8.601 8.514 0.087 17911 10604 1 19 . 1 1 100 100 ILE N N 286 117.511 117.511 117.087 0.424 17911 10605 1 19 . 1 1 100 100 ILE HA H 286 4.496 4.496 4.685 -0.189 17911 10606 1 19 . 1 1 100 100 ILE CA C 286 59.173 59.173 59.113 0.060 17911 10607 1 19 . 1 1 100 100 ILE CB C 286 41.887 41.887 41.261 0.626 17911 10608 1 19 . 1 1 100 100 ILE H H 286 7.931 7.931 7.393 0.538 17911 10609 1 19 . 1 1 101 101 LEU N N 287 121.101 121.101 120.819 0.282 17911 10610 1 19 . 1 1 101 101 LEU HA H 287 4.157 4.157 3.549 0.608 17911 10611 1 19 . 1 1 101 101 LEU CA C 287 54.520 54.520 55.062 -0.542 17911 10612 1 19 . 1 1 101 101 LEU CB C 287 40.083 40.083 42.329 -2.246 17911 10613 1 19 . 1 1 101 101 LEU H H 287 8.025 8.025 8.384 -0.359 17911 10614 1 19 . 1 1 102 102 GLU HA H 288 3.720 3.720 4.238 -0.518 17911 10615 1 19 . 1 1 102 102 GLU CA C 288 55.770 55.770 54.254 1.516 17911 10616 1 19 . 1 1 102 102 GLU CB C 288 29.904 29.904 32.748 -2.844 17911 10617 1 19 . 1 1 103 103 ASP N N 289 121.287 121.287 117.220 4.067 17911 10618 1 19 . 1 1 103 103 ASP HA H 289 4.513 4.513 4.672 -0.159 17911 10619 1 19 . 1 1 103 103 ASP CA C 289 52.281 52.281 53.420 -1.139 17911 10620 1 19 . 1 1 103 103 ASP CB C 289 42.922 42.922 40.928 1.994 17911 10621 1 19 . 1 1 103 103 ASP H H 289 8.014 8.014 8.574 -0.560 17911 10622 1 19 . 1 1 104 104 GLU N N 290 118.245 118.245 120.010 -1.765 17911 10623 1 19 . 1 1 104 104 GLU HA H 290 3.904 3.904 4.168 -0.264 17911 10624 1 19 . 1 1 104 104 GLU CA C 290 57.614 57.614 57.631 -0.017 17911 10625 1 19 . 1 1 104 104 GLU CB C 290 30.499 30.499 29.723 0.776 17911 10626 1 19 . 1 1 104 104 GLU H H 290 7.432 7.432 8.601 -1.169 17911 10627 1 19 . 1 1 105 105 PHE N N 291 120.606 120.606 118.669 1.937 17911 10628 1 19 . 1 1 105 105 PHE HA H 291 4.838 4.838 4.586 0.252 17911 10629 1 19 . 1 1 105 105 PHE CA C 291 56.536 56.536 57.994 -1.458 17911 10630 1 19 . 1 1 105 105 PHE CB C 291 39.774 39.774 39.710 0.064 17911 10631 1 19 . 1 1 105 105 PHE H H 291 8.835 8.835 7.943 0.892 17911 10632 1 19 . 1 1 106 106 THR N N 292 111.349 111.349 115.686 -4.337 17911 10633 1 19 . 1 1 106 106 THR HA H 292 4.670 4.670 4.487 0.183 17911 10634 1 19 . 1 1 106 106 THR CA C 292 59.344 59.344 60.276 -0.932 17911 10635 1 19 . 1 1 106 106 THR CB C 292 69.299 69.299 69.028 0.271 17911 10636 1 19 . 1 1 106 106 THR H H 292 8.757 8.757 8.398 0.359 17911 10637 1 19 . 1 1 107 107 PRO HA H 293 3.988 3.988 4.503 -0.515 17911 10638 1 19 . 1 1 107 107 PRO CA C 293 65.606 65.606 65.052 0.554 17911 10639 1 19 . 1 1 107 107 PRO CB C 293 31.321 31.321 32.047 -0.726 17911 10640 1 19 . 1 1 108 108 PHE N N 294 114.627 114.627 117.637 -3.010 17911 10641 1 19 . 1 1 108 108 PHE HA H 294 4.201 4.201 4.636 -0.435 17911 10642 1 19 . 1 1 108 108 PHE CA C 294 59.676 59.676 60.083 -0.407 17911 10643 1 19 . 1 1 108 108 PHE CB C 294 38.582 38.582 39.852 -1.270 17911 10644 1 19 . 1 1 108 108 PHE H H 294 7.310 7.310 8.043 -0.733 17911 10645 1 19 . 1 1 109 109 ASP N N 295 120.210 120.210 114.723 5.487 17911 10646 1 19 . 1 1 109 109 ASP HA H 295 4.404 4.404 4.693 -0.289 17911 10647 1 19 . 1 1 109 109 ASP CA C 295 57.098 57.098 53.868 3.229 17911 10648 1 19 . 1 1 109 109 ASP CB C 295 41.475 41.475 43.118 -1.643 17911 10649 1 19 . 1 1 109 109 ASP H H 295 7.837 7.837 8.051 -0.214 17911 10650 1 19 . 1 1 110 110 VAL N N 296 119.070 119.070 119.062 0.008 17911 10651 1 19 . 1 1 110 110 VAL HA H 296 3.602 3.602 4.532 -0.930 17911 10652 1 19 . 1 1 110 110 VAL CA C 296 66.491 66.491 62.321 4.170 17911 10653 1 19 . 1 1 110 110 VAL CB C 296 31.605 31.605 32.208 -0.603 17911 10654 1 19 . 1 1 110 110 VAL H H 296 7.945 7.945 8.584 -0.639 17911 10655 1 19 . 1 1 111 111 VAL N N 297 119.540 119.540 115.491 4.049 17911 10656 1 19 . 1 1 111 111 VAL HA H 297 3.601 3.601 4.611 -1.010 17911 10657 1 19 . 1 1 111 111 VAL CA C 297 66.379 66.379 60.244 6.135 17911 10658 1 19 . 1 1 111 111 VAL CB C 297 31.605 31.605 32.427 -0.822 17911 10659 1 19 . 1 1 111 111 VAL H H 297 8.109 8.109 8.454 -0.345 17911 10660 1 19 . 1 1 112 112 ARG N N 298 119.680 119.680 121.377 -1.697 17911 10661 1 19 . 1 1 112 112 ARG HA H 298 4.010 4.010 4.194 -0.184 17911 10662 1 19 . 1 1 112 112 ARG CA C 298 58.634 58.634 59.106 -0.472 17911 10663 1 19 . 1 1 112 112 ARG CB C 298 30.028 30.028 29.380 0.648 17911 10664 1 19 . 1 1 112 112 ARG H H 298 7.710 7.710 8.517 -0.807 17911 10665 1 19 . 1 1 113 113 GLN N N 299 117.786 117.786 116.261 1.525 17911 10666 1 19 . 1 1 113 113 GLN HA H 299 4.158 4.158 4.239 -0.081 17911 10667 1 19 . 1 1 113 113 GLN CA C 299 57.557 57.557 57.811 -0.254 17911 10668 1 19 . 1 1 113 113 GLN CB C 299 29.308 29.308 27.507 1.801 17911 10669 1 19 . 1 1 113 113 GLN H H 299 8.033 8.033 8.059 -0.026 17911 10670 1 19 . 1 1 114 114 CYS N N 300 115.786 115.786 116.871 -1.085 17911 10671 1 19 . 1 1 114 114 CYS HA H 300 4.470 4.470 4.636 -0.166 17911 10672 1 19 . 1 1 114 114 CYS CA C 300 59.934 59.934 58.017 1.917 17911 10673 1 19 . 1 1 114 114 CYS CB C 300 28.293 28.293 29.662 -1.369 17911 10674 1 19 . 1 1 114 114 CYS H H 300 8.071 8.071 8.110 -0.039 17911 10675 1 19 . 1 1 115 115 SER N N 301 116.258 116.258 117.325 -1.067 17911 10676 1 19 . 1 1 115 115 SER HA H 301 4.407 4.407 4.239 0.168 17911 10677 1 19 . 1 1 115 115 SER CA C 301 59.485 59.485 60.666 -1.181 17911 10678 1 19 . 1 1 115 115 SER CB C 301 63.286 63.286 63.574 -0.288 17911 10679 1 19 . 1 1 115 115 SER H H 301 7.883 7.883 8.020 -0.137 17911 10680 1 19 . 1 1 116 116 GLY N N 302 110.709 110.709 108.608 2.101 17911 10681 1 19 . 1 1 116 116 GLY CA C 302 45.239 45.239 44.865 0.374 17911 10682 1 19 . 1 1 116 116 GLY H H 302 8.355 8.355 8.203 0.152 17911 10683 1 19 . 1 1 117 117 VAL N N 303 119.189 119.189 119.487 -0.298 17911 10684 1 19 . 1 1 117 117 VAL HA H 303 4.057 4.057 3.703 0.354 17911 10685 1 19 . 1 1 117 117 VAL CA C 303 62.236 62.236 64.535 -2.299 17911 10686 1 19 . 1 1 117 117 VAL CB C 303 32.626 32.626 30.785 1.841 17911 10687 1 19 . 1 1 117 117 VAL H H 303 7.710 7.710 8.038 -0.328 17911 10688 1 19 . 1 1 118 118 THR N N 304 118.009 118.009 112.942 5.067 17911 10689 1 19 . 1 1 118 118 THR HA H 304 4.279 4.279 4.056 0.223 17911 10690 1 19 . 1 1 118 118 THR CA C 304 61.556 61.556 63.744 -2.188 17911 10691 1 19 . 1 1 118 118 THR CB C 304 69.894 69.894 68.564 1.330 17911 10692 1 19 . 1 1 118 118 THR H H 304 8.109 8.109 7.899 0.210 17911 10693 1 19 . 1 1 119 119 PHE N N 305 123.287 123.287 118.558 4.729 17911 10694 1 19 . 1 1 119 119 PHE HA H 305 4.605 4.605 4.833 -0.228 17911 10695 1 19 . 1 1 119 119 PHE CA C 305 57.727 57.727 57.910 -0.183 17911 10696 1 19 . 1 1 119 119 PHE CB C 305 39.859 39.859 39.912 -0.053 17911 10697 1 19 . 1 1 119 119 PHE H H 305 8.298 8.298 8.118 0.180 17911 10698 1 20 . 1 1 2 2 ARG N N 188 121.886 121.886 122.924 -1.038 17911 10699 1 20 . 1 1 2 2 ARG HA H 188 4.242 4.242 3.943 0.299 17911 10700 1 20 . 1 1 2 2 ARG CA C 188 56.487 56.487 59.292 -2.805 17911 10701 1 20 . 1 1 2 2 ARG CB C 188 30.857 30.857 30.416 0.441 17911 10702 1 20 . 1 1 2 2 ARG H H 188 8.475 8.475 8.659 -0.184 17911 10703 1 20 . 1 1 3 3 GLN N N 189 121.336 121.336 114.748 6.588 17911 10704 1 20 . 1 1 3 3 GLN HA H 189 4.302 4.302 4.133 0.169 17911 10705 1 20 . 1 1 3 3 GLN CA C 189 56.366 56.366 57.991 -1.625 17911 10706 1 20 . 1 1 3 3 GLN CB C 189 29.254 29.254 28.512 0.743 17911 10707 1 20 . 1 1 3 3 GLN H H 189 8.553 8.553 8.438 0.115 17911 10708 1 20 . 1 1 4 4 THR N N 190 115.273 115.273 110.936 4.337 17911 10709 1 20 . 1 1 4 4 THR HA H 190 4.275 4.275 4.480 -0.205 17911 10710 1 20 . 1 1 4 4 THR CA C 190 62.066 62.066 62.723 -0.657 17911 10711 1 20 . 1 1 4 4 THR CB C 190 69.894 69.894 69.984 -0.090 17911 10712 1 20 . 1 1 4 4 THR H H 190 8.123 8.123 7.692 0.431 17911 10713 1 20 . 1 1 5 5 ALA N N 191 126.029 126.029 125.106 0.923 17911 10714 1 20 . 1 1 5 5 ALA HA H 191 4.247 4.247 4.209 0.038 17911 10715 1 20 . 1 1 5 5 ALA CA C 191 52.537 52.537 54.189 -1.652 17911 10716 1 20 . 1 1 5 5 ALA CB C 191 19.183 19.183 19.400 -0.217 17911 10717 1 20 . 1 1 5 5 ALA H H 191 8.284 8.284 8.092 0.192 17911 10718 1 20 . 1 1 6 6 GLN N N 192 119.614 119.614 114.803 4.811 17911 10719 1 20 . 1 1 6 6 GLN HA H 192 4.217 4.217 4.779 -0.562 17911 10720 1 20 . 1 1 6 6 GLN CA C 192 55.685 55.685 54.642 1.043 17911 10721 1 20 . 1 1 6 6 GLN CB C 192 29.513 29.513 33.436 -3.923 17911 10722 1 20 . 1 1 6 6 GLN H H 192 8.287 8.287 7.300 0.987 17911 10723 1 20 . 1 1 7 7 ALA N N 193 125.571 125.571 120.340 5.231 17911 10724 1 20 . 1 1 7 7 ALA HA H 193 4.246 4.246 4.781 -0.535 17911 10725 1 20 . 1 1 7 7 ALA CA C 193 52.537 52.537 50.797 1.740 17911 10726 1 20 . 1 1 7 7 ALA CB C 193 19.268 19.268 21.881 -2.613 17911 10727 1 20 . 1 1 7 7 ALA H H 193 8.271 8.271 8.534 -0.263 17911 10728 1 20 . 1 1 8 8 ALA N N 194 123.461 123.461 122.129 1.332 17911 10729 1 20 . 1 1 8 8 ALA HA H 194 4.250 4.250 4.152 0.098 17911 10730 1 20 . 1 1 8 8 ALA CA C 194 52.593 52.593 54.637 -2.044 17911 10731 1 20 . 1 1 8 8 ALA CB C 194 19.324 19.324 18.585 0.739 17911 10732 1 20 . 1 1 8 8 ALA H H 194 8.275 8.275 8.472 -0.197 17911 10733 1 20 . 1 1 9 9 GLY N N 195 108.312 108.312 102.982 5.330 17911 10734 1 20 . 1 1 9 9 GLY CA C 195 45.219 45.219 45.968 -0.749 17911 10735 1 20 . 1 1 9 9 GLY H H 195 8.328 8.328 8.530 -0.202 17911 10736 1 20 . 1 1 10 10 THR N N 196 112.710 112.710 107.901 4.809 17911 10737 1 20 . 1 1 10 10 THR HA H 196 4.334 4.334 4.441 -0.107 17911 10738 1 20 . 1 1 10 10 THR CA C 196 61.471 61.471 61.456 0.015 17911 10739 1 20 . 1 1 10 10 THR CB C 196 69.894 69.894 70.294 -0.400 17911 10740 1 20 . 1 1 10 10 THR H H 196 7.998 7.998 7.600 0.398 17911 10741 1 20 . 1 1 11 11 ASP N N 197 122.862 122.862 122.517 0.345 17911 10742 1 20 . 1 1 11 11 ASP HA H 197 4.609 4.609 4.855 -0.246 17911 10743 1 20 . 1 1 11 11 ASP CA C 197 54.262 54.262 53.642 0.620 17911 10744 1 20 . 1 1 11 11 ASP CB C 197 41.135 41.135 41.865 -0.730 17911 10745 1 20 . 1 1 11 11 ASP H H 197 8.404 8.404 8.091 0.313 17911 10746 1 20 . 1 1 12 12 THR N N 198 114.709 114.709 109.509 5.200 17911 10747 1 20 . 1 1 12 12 THR HA H 198 4.400 4.400 4.144 0.256 17911 10748 1 20 . 1 1 12 12 THR CA C 198 61.223 61.223 62.585 -1.362 17911 10749 1 20 . 1 1 12 12 THR CB C 198 70.490 70.490 68.331 2.159 17911 10750 1 20 . 1 1 12 12 THR H H 198 7.895 7.895 7.572 0.323 17911 10751 1 20 . 1 1 13 13 THR N N 199 122.785 122.785 118.380 4.405 17911 10752 1 20 . 1 1 13 13 THR HA H 199 3.961 3.961 4.237 -0.276 17911 10753 1 20 . 1 1 13 13 THR CA C 199 63.286 63.286 63.839 -0.553 17911 10754 1 20 . 1 1 13 13 THR CB C 199 68.958 68.958 68.835 0.123 17911 10755 1 20 . 1 1 13 13 THR H H 199 8.354 8.354 8.512 -0.158 17911 10756 1 20 . 1 1 14 14 ILE N N 200 127.902 127.902 129.122 -1.220 17911 10757 1 20 . 1 1 14 14 ILE HA H 200 3.807 3.807 4.223 -0.416 17911 10758 1 20 . 1 1 14 14 ILE CA C 200 60.965 60.965 61.380 -0.415 17911 10759 1 20 . 1 1 14 14 ILE CB C 200 35.860 35.860 35.604 0.256 17911 10760 1 20 . 1 1 14 14 ILE H H 200 9.362 9.362 9.067 0.295 17911 10761 1 20 . 1 1 15 15 THR N N 201 130.379 130.379 123.505 6.874 17911 10762 1 20 . 1 1 15 15 THR HA H 201 3.521 3.521 4.046 -0.525 17911 10763 1 20 . 1 1 15 15 THR CA C 201 66.637 66.637 66.963 -0.326 17911 10764 1 20 . 1 1 15 15 THR CB C 201 67.411 67.411 68.756 -1.345 17911 10765 1 20 . 1 1 15 15 THR H H 201 7.834 7.834 7.995 -0.161 17911 10766 1 20 . 1 1 16 16 LEU N N 202 120.049 120.049 120.906 -0.857 17911 10767 1 20 . 1 1 16 16 LEU HA H 202 3.715 3.715 4.085 -0.370 17911 10768 1 20 . 1 1 16 16 LEU CA C 202 58.387 58.387 58.647 -0.259 17911 10769 1 20 . 1 1 16 16 LEU CB C 202 43.148 43.148 41.711 1.437 17911 10770 1 20 . 1 1 16 16 LEU H H 202 8.913 8.913 8.535 0.378 17911 10771 1 20 . 1 1 17 17 ASN N N 203 117.390 117.390 117.426 -0.036 17911 10772 1 20 . 1 1 17 17 ASN HA H 203 4.594 4.594 4.803 -0.209 17911 10773 1 20 . 1 1 17 17 ASN CA C 203 54.520 54.520 55.731 -1.211 17911 10774 1 20 . 1 1 17 17 ASN CB C 203 37.246 37.246 38.096 -0.850 17911 10775 1 20 . 1 1 17 17 ASN H H 203 6.926 6.926 7.905 -0.979 17911 10776 1 20 . 1 1 18 18 VAL N N 204 123.434 123.434 122.626 0.808 17911 10777 1 20 . 1 1 18 18 VAL HA H 204 4.242 4.242 4.059 0.183 17911 10778 1 20 . 1 1 18 18 VAL CA C 204 66.236 66.236 66.826 -0.590 17911 10779 1 20 . 1 1 18 18 VAL CB C 204 31.605 31.605 31.837 -0.232 17911 10780 1 20 . 1 1 18 18 VAL H H 204 7.660 7.660 7.863 -0.203 17911 10781 1 20 . 1 1 19 19 LEU N N 205 117.301 117.301 120.179 -2.878 17911 10782 1 20 . 1 1 19 19 LEU HA H 205 3.945 3.945 3.855 0.090 17911 10783 1 20 . 1 1 19 19 LEU CA C 205 58.408 58.408 58.542 -0.134 17911 10784 1 20 . 1 1 19 19 LEU CB C 205 42.918 42.918 41.107 1.811 17911 10785 1 20 . 1 1 19 19 LEU H H 205 8.573 8.573 8.608 -0.035 17911 10786 1 20 . 1 1 20 20 ALA N N 206 120.290 120.290 121.822 -1.532 17911 10787 1 20 . 1 1 20 20 ALA HA H 206 4.012 4.012 4.218 -0.206 17911 10788 1 20 . 1 1 20 20 ALA CA C 206 56.195 56.195 55.214 0.981 17911 10789 1 20 . 1 1 20 20 ALA CB C 206 17.911 17.911 18.203 -0.292 17911 10790 1 20 . 1 1 20 20 ALA H H 206 8.188 8.188 8.261 -0.073 17911 10791 1 20 . 1 1 21 21 TRP N N 207 121.219 121.219 120.719 0.500 17911 10792 1 20 . 1 1 21 21 TRP HA H 207 4.110 4.110 4.310 -0.200 17911 10793 1 20 . 1 1 21 21 TRP CA C 207 61.224 61.224 61.883 -0.659 17911 10794 1 20 . 1 1 21 21 TRP CB C 207 28.712 28.712 29.622 -0.910 17911 10795 1 20 . 1 1 21 21 TRP H H 207 8.406 8.406 8.471 -0.065 17911 10796 1 20 . 1 1 22 22 LEU HA H 208 3.517 3.517 3.638 -0.121 17911 10797 1 20 . 1 1 22 22 LEU CA C 208 57.897 57.897 57.918 -0.021 17911 10798 1 20 . 1 1 22 22 LEU CB C 208 40.880 40.880 41.321 -0.441 17911 10799 1 20 . 1 1 22 22 LEU H H 208 8.620 8.620 8.836 -0.216 17911 10800 1 20 . 1 1 23 23 TYR N N 209 117.656 117.656 119.183 -1.527 17911 10801 1 20 . 1 1 23 23 TYR HA H 209 3.956 3.956 4.091 -0.135 17911 10802 1 20 . 1 1 23 23 TYR CA C 209 64.704 64.704 61.965 2.739 17911 10803 1 20 . 1 1 23 23 TYR CB C 209 38.793 38.793 37.495 1.298 17911 10804 1 20 . 1 1 23 23 TYR H H 209 8.368 8.368 8.479 -0.111 17911 10805 1 20 . 1 1 24 24 ALA N N 210 122.658 122.658 121.205 1.453 17911 10806 1 20 . 1 1 24 24 ALA HA H 210 3.837 3.837 3.818 0.019 17911 10807 1 20 . 1 1 24 24 ALA CA C 210 55.036 55.036 54.871 0.165 17911 10808 1 20 . 1 1 24 24 ALA CB C 210 17.311 17.311 17.610 -0.299 17911 10809 1 20 . 1 1 24 24 ALA H H 210 8.461 8.461 8.137 0.324 17911 10810 1 20 . 1 1 25 25 ALA N N 211 123.868 123.868 121.789 2.079 17911 10811 1 20 . 1 1 25 25 ALA HA H 211 3.761 3.761 3.814 -0.053 17911 10812 1 20 . 1 1 25 25 ALA CA C 211 55.551 55.551 54.763 0.788 17911 10813 1 20 . 1 1 25 25 ALA CB C 211 17.992 17.992 18.121 -0.129 17911 10814 1 20 . 1 1 25 25 ALA H H 211 8.564 8.564 7.794 0.770 17911 10815 1 20 . 1 1 26 26 VAL N N 212 119.783 119.783 119.153 0.630 17911 10816 1 20 . 1 1 26 26 VAL HA H 212 3.487 3.487 3.721 -0.234 17911 10817 1 20 . 1 1 26 26 VAL CA C 212 66.576 66.576 66.335 0.241 17911 10818 1 20 . 1 1 26 26 VAL CB C 212 31.575 31.575 31.116 0.459 17911 10819 1 20 . 1 1 26 26 VAL H H 212 8.008 8.008 8.201 -0.193 17911 10820 1 20 . 1 1 27 27 ILE N N 213 124.428 124.428 118.701 5.727 17911 10821 1 20 . 1 1 27 27 ILE HA H 213 3.559 3.559 3.679 -0.120 17911 10822 1 20 . 1 1 27 27 ILE CA C 213 65.526 65.526 64.544 0.982 17911 10823 1 20 . 1 1 27 27 ILE CB C 213 37.902 37.902 37.646 0.256 17911 10824 1 20 . 1 1 27 27 ILE H H 213 8.576 8.576 8.326 0.250 17911 10825 1 20 . 1 1 28 28 ASN N N 214 116.563 116.563 115.810 0.753 17911 10826 1 20 . 1 1 28 28 ASN HA H 214 4.565 4.565 4.559 0.006 17911 10827 1 20 . 1 1 28 28 ASN CA C 214 54.579 54.579 55.240 -0.661 17911 10828 1 20 . 1 1 28 28 ASN CB C 214 40.340 40.340 39.763 0.577 17911 10829 1 20 . 1 1 28 28 ASN H H 214 7.714 7.714 8.119 -0.405 17911 10830 1 20 . 1 1 29 29 GLY N N 215 107.004 107.004 107.079 -0.075 17911 10831 1 20 . 1 1 29 29 GLY CA C 215 45.683 45.683 44.873 0.810 17911 10832 1 20 . 1 1 29 29 GLY H H 215 7.861 7.861 8.338 -0.477 17911 10833 1 20 . 1 1 30 30 ASP N N 216 125.780 125.780 124.770 1.010 17911 10834 1 20 . 1 1 30 30 ASP HA H 216 5.019 5.019 4.574 0.445 17911 10835 1 20 . 1 1 30 30 ASP CA C 216 53.643 53.643 55.596 -1.953 17911 10836 1 20 . 1 1 30 30 ASP CB C 216 41.561 41.561 40.973 0.588 17911 10837 1 20 . 1 1 30 30 ASP H H 216 8.560 8.560 8.219 0.341 17911 10838 1 20 . 1 1 31 31 ARG N N 217 115.297 115.297 121.228 -5.931 17911 10839 1 20 . 1 1 31 31 ARG HA H 217 3.711 3.711 2.935 0.776 17911 10840 1 20 . 1 1 31 31 ARG CA C 217 54.520 54.520 55.069 -0.549 17911 10841 1 20 . 1 1 31 31 ARG CB C 217 32.116 32.116 30.484 1.632 17911 10842 1 20 . 1 1 31 31 ARG H H 217 7.984 7.984 7.965 0.019 17911 10843 1 20 . 1 1 32 32 TRP N N 218 119.754 119.754 119.894 -0.140 17911 10844 1 20 . 1 1 32 32 TRP HA H 218 4.120 4.120 4.279 -0.159 17911 10845 1 20 . 1 1 32 32 TRP CA C 218 58.387 58.387 57.956 0.431 17911 10846 1 20 . 1 1 32 32 TRP CB C 218 28.372 28.372 28.255 0.117 17911 10847 1 20 . 1 1 32 32 TRP H H 218 7.368 7.368 7.409 -0.041 17911 10848 1 20 . 1 1 33 33 PHE HA H 219 3.919 3.919 4.551 -0.632 17911 10849 1 20 . 1 1 33 33 PHE CA C 219 55.315 55.315 56.740 -1.425 17911 10850 1 20 . 1 1 33 33 PHE CB C 219 37.277 37.277 37.387 -0.110 17911 10851 1 20 . 1 1 34 34 LEU N N 220 122.632 122.632 120.360 2.272 17911 10852 1 20 . 1 1 34 34 LEU HA H 220 3.931 3.931 4.055 -0.124 17911 10853 1 20 . 1 1 34 34 LEU CA C 220 55.315 55.315 55.083 0.232 17911 10854 1 20 . 1 1 34 34 LEU CB C 220 40.790 40.790 42.007 -1.217 17911 10855 1 20 . 1 1 34 34 LEU H H 220 6.447 6.447 7.092 -0.645 17911 10856 1 20 . 1 1 35 35 ASN N N 221 119.503 119.503 119.358 0.145 17911 10857 1 20 . 1 1 35 35 ASN HA H 221 4.709 4.709 4.789 -0.080 17911 10858 1 20 . 1 1 35 35 ASN CA C 221 52.026 52.026 52.210 -0.184 17911 10859 1 20 . 1 1 35 35 ASN CB C 221 40.598 40.598 40.206 0.392 17911 10860 1 20 . 1 1 35 35 ASN H H 221 8.105 8.105 8.324 -0.219 17911 10861 1 20 . 1 1 36 36 ARG N N 222 116.408 116.408 117.907 -1.499 17911 10862 1 20 . 1 1 36 36 ARG HA H 222 4.293 4.293 4.015 0.278 17911 10863 1 20 . 1 1 36 36 ARG CA C 222 55.600 55.600 56.980 -1.381 17911 10864 1 20 . 1 1 36 36 ARG CB C 222 28.997 28.997 29.812 -0.815 17911 10865 1 20 . 1 1 36 36 ARG H H 222 8.099 8.099 8.403 -0.304 17911 10866 1 20 . 1 1 37 37 PHE N N 223 120.398 120.398 117.693 2.705 17911 10867 1 20 . 1 1 37 37 PHE HA H 223 4.813 4.813 4.779 0.034 17911 10868 1 20 . 1 1 37 37 PHE CA C 223 56.081 56.081 56.216 -0.135 17911 10869 1 20 . 1 1 37 37 PHE CB C 223 40.085 40.085 41.578 -1.493 17911 10870 1 20 . 1 1 37 37 PHE H H 223 7.842 7.842 8.126 -0.284 17911 10871 1 20 . 1 1 38 38 THR N N 224 112.040 112.040 112.028 0.012 17911 10872 1 20 . 1 1 38 38 THR HA H 224 4.653 4.653 4.591 0.062 17911 10873 1 20 . 1 1 38 38 THR CA C 224 60.708 60.708 61.467 -0.758 17911 10874 1 20 . 1 1 38 38 THR CB C 224 71.000 71.000 70.255 0.745 17911 10875 1 20 . 1 1 38 38 THR H H 224 8.231 8.231 8.513 -0.282 17911 10876 1 20 . 1 1 39 39 THR N N 225 116.627 116.627 114.684 1.943 17911 10877 1 20 . 1 1 39 39 THR HA H 225 4.925 4.925 4.608 0.317 17911 10878 1 20 . 1 1 39 39 THR CA C 225 59.677 59.677 59.657 0.020 17911 10879 1 20 . 1 1 39 39 THR CB C 225 69.989 69.989 70.160 -0.171 17911 10880 1 20 . 1 1 39 39 THR H H 225 8.107 8.107 8.130 -0.023 17911 10881 1 20 . 1 1 40 40 THR N N 226 111.263 111.263 115.768 -4.505 17911 10882 1 20 . 1 1 40 40 THR HA H 226 4.727 4.727 4.426 0.301 17911 10883 1 20 . 1 1 40 40 THR CA C 226 59.740 59.740 61.593 -1.853 17911 10884 1 20 . 1 1 40 40 THR CB C 226 72.052 72.052 70.350 1.702 17911 10885 1 20 . 1 1 40 40 THR H H 226 8.481 8.481 8.370 0.111 17911 10886 1 20 . 1 1 41 41 LEU N N 227 123.989 123.989 125.067 -1.078 17911 10887 1 20 . 1 1 41 41 LEU HA H 227 3.986 3.986 4.179 -0.193 17911 10888 1 20 . 1 1 41 41 LEU CA C 227 58.903 58.903 58.434 0.469 17911 10889 1 20 . 1 1 41 41 LEU CB C 227 41.561 41.561 42.180 -0.619 17911 10890 1 20 . 1 1 41 41 LEU H H 227 9.259 9.259 8.789 0.470 17911 10891 1 20 . 1 1 42 42 ASN N N 228 115.183 115.183 117.058 -1.875 17911 10892 1 20 . 1 1 42 42 ASN HA H 228 4.435 4.435 4.409 0.026 17911 10893 1 20 . 1 1 42 42 ASN CA C 228 56.961 56.961 57.307 -0.346 17911 10894 1 20 . 1 1 42 42 ASN CB C 228 38.497 38.497 38.144 0.353 17911 10895 1 20 . 1 1 42 42 ASN H H 228 8.598 8.598 8.496 0.102 17911 10896 1 20 . 1 1 43 43 ASP N N 229 118.746 118.746 120.168 -1.422 17911 10897 1 20 . 1 1 43 43 ASP HA H 229 4.367 4.367 4.460 -0.093 17911 10898 1 20 . 1 1 43 43 ASP CA C 229 57.387 57.387 57.044 0.344 17911 10899 1 20 . 1 1 43 43 ASP CB C 229 40.625 40.625 40.910 -0.285 17911 10900 1 20 . 1 1 43 43 ASP H H 229 7.847 7.847 7.913 -0.066 17911 10901 1 20 . 1 1 44 44 PHE N N 230 120.193 120.193 121.175 -0.982 17911 10902 1 20 . 1 1 44 44 PHE HA H 230 3.808 3.808 4.100 -0.292 17911 10903 1 20 . 1 1 44 44 PHE CA C 230 62.747 62.747 61.769 0.978 17911 10904 1 20 . 1 1 44 44 PHE CB C 230 38.753 38.753 39.205 -0.452 17911 10905 1 20 . 1 1 44 44 PHE H H 230 8.547 8.547 8.400 0.147 17911 10906 1 20 . 1 1 45 45 ASN N N 231 118.852 118.852 118.453 0.399 17911 10907 1 20 . 1 1 45 45 ASN HA H 231 4.472 4.472 4.230 0.242 17911 10908 1 20 . 1 1 45 45 ASN CA C 231 55.344 55.344 56.165 -0.821 17911 10909 1 20 . 1 1 45 45 ASN CB C 231 37.391 37.391 38.075 -0.684 17911 10910 1 20 . 1 1 45 45 ASN H H 231 8.727 8.727 8.546 0.181 17911 10911 1 20 . 1 1 46 46 LEU N N 232 120.221 120.221 120.855 -0.634 17911 10912 1 20 . 1 1 46 46 LEU HA H 232 4.065 4.065 4.004 0.061 17911 10913 1 20 . 1 1 46 46 LEU CA C 232 58.152 58.152 58.174 -0.022 17911 10914 1 20 . 1 1 46 46 LEU CB C 232 42.071 42.071 41.778 0.293 17911 10915 1 20 . 1 1 46 46 LEU H H 232 7.516 7.516 8.367 -0.851 17911 10916 1 20 . 1 1 47 47 VAL N N 233 119.649 119.649 118.961 0.688 17911 10917 1 20 . 1 1 47 47 VAL HA H 233 3.604 3.604 3.559 0.045 17911 10918 1 20 . 1 1 47 47 VAL CA C 233 65.864 65.864 66.398 -0.534 17911 10919 1 20 . 1 1 47 47 VAL CB C 233 31.575 31.575 31.195 0.380 17911 10920 1 20 . 1 1 47 47 VAL H H 233 6.987 6.987 7.996 -1.009 17911 10921 1 20 . 1 1 48 48 ALA N N 234 122.056 122.056 122.162 -0.106 17911 10922 1 20 . 1 1 48 48 ALA HA H 234 3.451 3.451 3.818 -0.367 17911 10923 1 20 . 1 1 48 48 ALA CA C 234 55.741 55.741 55.111 0.630 17911 10924 1 20 . 1 1 48 48 ALA CB C 234 16.971 16.971 18.037 -1.066 17911 10925 1 20 . 1 1 48 48 ALA H H 234 8.480 8.480 8.060 0.420 17911 10926 1 20 . 1 1 49 49 MET N N 235 114.180 114.180 118.050 -3.870 17911 10927 1 20 . 1 1 49 49 MET HA H 235 4.272 4.272 4.040 0.232 17911 10928 1 20 . 1 1 49 49 MET CA C 235 59.003 59.003 59.152 -0.149 17911 10929 1 20 . 1 1 49 49 MET CB C 235 32.967 32.967 32.576 0.391 17911 10930 1 20 . 1 1 49 49 MET H H 235 7.950 7.950 8.284 -0.334 17911 10931 1 20 . 1 1 50 50 LYS N N 236 120.217 120.217 119.468 0.749 17911 10932 1 20 . 1 1 50 50 LYS HA H 236 3.945 3.945 3.868 0.077 17911 10933 1 20 . 1 1 50 50 LYS CA C 236 58.378 58.378 58.532 -0.154 17911 10934 1 20 . 1 1 50 50 LYS CB C 236 31.833 31.833 32.396 -0.563 17911 10935 1 20 . 1 1 50 50 LYS H H 236 7.378 7.378 7.776 -0.398 17911 10936 1 20 . 1 1 51 51 TYR N N 237 115.853 115.853 115.845 0.008 17911 10937 1 20 . 1 1 51 51 TYR HA H 237 4.462 4.462 4.666 -0.204 17911 10938 1 20 . 1 1 51 51 TYR CA C 237 58.293 58.293 56.677 1.616 17911 10939 1 20 . 1 1 51 51 TYR CB C 237 38.668 38.668 37.622 1.046 17911 10940 1 20 . 1 1 51 51 TYR H H 237 7.392 7.392 7.311 0.081 17911 10941 1 20 . 1 1 52 52 ASN N N 238 115.965 115.965 116.314 -0.349 17911 10942 1 20 . 1 1 52 52 ASN HA H 238 4.403 4.403 4.367 0.036 17911 10943 1 20 . 1 1 52 52 ASN CA C 238 54.834 54.834 54.422 0.412 17911 10944 1 20 . 1 1 52 52 ASN CB C 238 36.881 36.881 37.828 -0.947 17911 10945 1 20 . 1 1 52 52 ASN H H 238 7.914 7.914 7.808 0.106 17911 10946 1 20 . 1 1 53 53 TYR N N 239 120.379 120.379 117.595 2.784 17911 10947 1 20 . 1 1 53 53 TYR HA H 239 4.675 4.675 4.953 -0.278 17911 10948 1 20 . 1 1 53 53 TYR CA C 239 57.387 57.387 57.244 0.143 17911 10949 1 20 . 1 1 53 53 TYR CB C 239 37.788 37.788 40.161 -2.373 17911 10950 1 20 . 1 1 53 53 TYR H H 239 8.341 8.341 8.267 0.074 17911 10951 1 20 . 1 1 54 54 GLU N N 240 122.559 122.559 122.032 0.527 17911 10952 1 20 . 1 1 54 54 GLU HA H 240 4.317 4.317 4.424 -0.107 17911 10953 1 20 . 1 1 54 54 GLU CA C 240 54.579 54.579 55.060 -0.481 17911 10954 1 20 . 1 1 54 54 GLU CB C 240 30.802 30.802 29.853 0.949 17911 10955 1 20 . 1 1 54 54 GLU H H 240 8.114 8.114 8.336 -0.222 17911 10956 1 20 . 1 1 55 55 PRO HA H 241 4.314 4.314 4.485 -0.171 17911 10957 1 20 . 1 1 55 55 PRO CA C 241 62.973 62.973 62.679 0.294 17911 10958 1 20 . 1 1 55 55 PRO CB C 241 31.917 31.917 32.538 -0.621 17911 10959 1 20 . 1 1 56 56 LEU N N 242 124.468 124.468 120.854 3.614 17911 10960 1 20 . 1 1 56 56 LEU HA H 242 5.200 5.200 4.721 0.479 17911 10961 1 20 . 1 1 56 56 LEU CA C 242 53.747 53.747 54.175 -0.428 17911 10962 1 20 . 1 1 56 56 LEU CB C 242 45.560 45.560 46.394 -0.834 17911 10963 1 20 . 1 1 56 56 LEU H H 242 9.650 9.650 9.238 0.412 17911 10964 1 20 . 1 1 57 57 THR N N 243 116.700 116.700 113.952 2.748 17911 10965 1 20 . 1 1 57 57 THR HA H 243 4.664 4.664 4.775 -0.111 17911 10966 1 20 . 1 1 57 57 THR CA C 243 59.429 59.429 60.098 -0.669 17911 10967 1 20 . 1 1 57 57 THR CB C 243 71.851 71.851 71.905 -0.054 17911 10968 1 20 . 1 1 57 57 THR H H 243 9.279 9.279 8.519 0.760 17911 10969 1 20 . 1 1 58 58 GLN N N 244 119.764 119.764 121.190 -1.426 17911 10970 1 20 . 1 1 58 58 GLN HA H 244 3.827 3.827 4.033 -0.206 17911 10971 1 20 . 1 1 58 58 GLN CA C 244 58.130 58.130 59.541 -1.411 17911 10972 1 20 . 1 1 58 58 GLN CB C 244 27.777 27.777 28.297 -0.520 17911 10973 1 20 . 1 1 58 58 GLN H H 244 8.959 8.959 8.880 0.079 17911 10974 1 20 . 1 1 59 59 ASP N N 245 117.059 117.059 116.379 0.680 17911 10975 1 20 . 1 1 59 59 ASP HA H 245 4.325 4.325 4.342 -0.017 17911 10976 1 20 . 1 1 59 59 ASP CA C 245 57.301 57.301 57.028 0.273 17911 10977 1 20 . 1 1 59 59 ASP CB C 245 40.029 40.029 40.475 -0.446 17911 10978 1 20 . 1 1 59 59 ASP H H 245 7.838 7.838 8.803 -0.965 17911 10979 1 20 . 1 1 60 60 HIS N N 246 119.076 119.076 118.752 0.324 17911 10980 1 20 . 1 1 60 60 HIS HA H 246 4.296 4.296 4.438 -0.142 17911 10981 1 20 . 1 1 60 60 HIS CA C 246 58.645 58.645 59.057 -0.412 17911 10982 1 20 . 1 1 60 60 HIS CB C 246 32.864 32.864 30.133 2.731 17911 10983 1 20 . 1 1 60 60 HIS H H 246 7.333 7.333 7.529 -0.196 17911 10984 1 20 . 1 1 61 61 VAL N N 247 118.215 118.215 120.283 -2.068 17911 10985 1 20 . 1 1 61 61 VAL HA H 247 3.400 3.400 3.598 -0.198 17911 10986 1 20 . 1 1 61 61 VAL CA C 247 67.257 67.257 66.633 0.624 17911 10987 1 20 . 1 1 61 61 VAL CB C 247 31.010 31.010 31.737 -0.727 17911 10988 1 20 . 1 1 61 61 VAL H H 247 7.565 7.565 8.451 -0.886 17911 10989 1 20 . 1 1 62 62 ASP N N 248 119.651 119.651 119.968 -0.317 17911 10990 1 20 . 1 1 62 62 ASP HA H 248 4.358 4.358 4.325 0.033 17911 10991 1 20 . 1 1 62 62 ASP CA C 248 57.557 57.557 57.476 0.081 17911 10992 1 20 . 1 1 62 62 ASP CB C 248 40.027 40.027 40.935 -0.908 17911 10993 1 20 . 1 1 62 62 ASP H H 248 8.142 8.142 8.274 -0.132 17911 10994 1 20 . 1 1 63 63 ILE N N 249 123.545 123.545 117.407 6.138 17911 10995 1 20 . 1 1 63 63 ILE HA H 249 3.756 3.756 3.878 -0.122 17911 10996 1 20 . 1 1 63 63 ILE CA C 249 64.832 64.832 63.339 1.493 17911 10997 1 20 . 1 1 63 63 ILE CB C 249 37.817 37.817 37.967 -0.150 17911 10998 1 20 . 1 1 63 63 ILE H H 249 8.017 8.017 7.340 0.677 17911 10999 1 20 . 1 1 64 64 LEU N N 250 117.125 117.125 117.806 -0.681 17911 11000 1 20 . 1 1 64 64 LEU HA H 250 4.094 4.094 4.135 -0.041 17911 11001 1 20 . 1 1 64 64 LEU CA C 250 55.004 55.004 55.286 -0.282 17911 11002 1 20 . 1 1 64 64 LEU CB C 250 42.662 42.662 41.774 0.888 17911 11003 1 20 . 1 1 64 64 LEU H H 250 7.217 7.217 7.722 -0.505 17911 11004 1 20 . 1 1 65 65 GLY N N 251 108.388 108.388 108.703 -0.315 17911 11005 1 20 . 1 1 65 65 GLY CA C 251 48.708 48.708 48.365 0.342 17911 11006 1 20 . 1 1 65 65 GLY H H 251 7.794 7.794 8.052 -0.258 17911 11007 1 20 . 1 1 66 66 PRO HA H 252 4.243 4.243 3.180 1.063 17911 11008 1 20 . 1 1 66 66 PRO CA C 252 66.036 66.036 65.126 0.910 17911 11009 1 20 . 1 1 66 66 PRO CB C 252 32.172 32.172 30.695 1.477 17911 11010 1 20 . 1 1 67 67 LEU N N 253 117.852 117.852 116.266 1.586 17911 11011 1 20 . 1 1 67 67 LEU HA H 253 3.866 3.866 3.888 -0.022 17911 11012 1 20 . 1 1 67 67 LEU CA C 253 57.301 57.301 56.748 0.553 17911 11013 1 20 . 1 1 67 67 LEU CB C 253 40.539 40.539 41.067 -0.528 17911 11014 1 20 . 1 1 67 67 LEU H H 253 7.344 7.344 7.471 -0.127 17911 11015 1 20 . 1 1 68 68 SER N N 254 117.191 117.191 114.938 2.253 17911 11016 1 20 . 1 1 68 68 SER HA H 254 4.154 4.154 4.265 -0.111 17911 11017 1 20 . 1 1 68 68 SER CA C 254 60.705 60.705 60.852 -0.147 17911 11018 1 20 . 1 1 68 68 SER CB C 254 63.286 63.286 63.144 0.142 17911 11019 1 20 . 1 1 68 68 SER H H 254 7.883 7.883 7.923 -0.040 17911 11020 1 20 . 1 1 69 69 ALA N N 255 123.895 123.895 124.249 -0.354 17911 11021 1 20 . 1 1 69 69 ALA HA H 255 4.078 4.078 4.139 -0.061 17911 11022 1 20 . 1 1 69 69 ALA CA C 255 54.749 54.749 54.329 0.420 17911 11023 1 20 . 1 1 69 69 ALA CB C 255 17.992 17.992 18.159 -0.167 17911 11024 1 20 . 1 1 69 69 ALA H H 255 8.592 8.592 7.806 0.786 17911 11025 1 20 . 1 1 70 70 GLN N N 256 116.528 116.528 118.213 -1.685 17911 11026 1 20 . 1 1 70 70 GLN HA H 256 4.011 4.011 4.134 -0.123 17911 11027 1 20 . 1 1 70 70 GLN CA C 256 58.634 58.634 58.068 0.566 17911 11028 1 20 . 1 1 70 70 GLN CB C 256 28.939 28.939 28.889 0.050 17911 11029 1 20 . 1 1 70 70 GLN H H 256 7.744 7.744 7.812 -0.068 17911 11030 1 20 . 1 1 71 71 THR N N 257 103.056 103.056 108.379 -5.323 17911 11031 1 20 . 1 1 71 71 THR HA H 257 4.277 4.277 4.416 -0.139 17911 11032 1 20 . 1 1 71 71 THR CA C 257 62.236 62.236 62.328 -0.092 17911 11033 1 20 . 1 1 71 71 THR CB C 257 72.277 72.277 69.858 2.419 17911 11034 1 20 . 1 1 71 71 THR H H 257 7.401 7.401 7.983 -0.582 17911 11035 1 20 . 1 1 72 72 GLY N N 258 111.697 111.697 110.375 1.322 17911 11036 1 20 . 1 1 72 72 GLY CA C 258 45.900 45.900 45.542 0.358 17911 11037 1 20 . 1 1 72 72 GLY H H 258 8.113 8.113 8.157 -0.044 17911 11038 1 20 . 1 1 73 73 ILE N N 259 120.078 120.078 123.988 -3.910 17911 11039 1 20 . 1 1 73 73 ILE HA H 259 4.451 4.451 4.273 0.178 17911 11040 1 20 . 1 1 73 73 ILE CA C 259 58.903 58.903 58.785 0.118 17911 11041 1 20 . 1 1 73 73 ILE CB C 259 38.497 38.497 35.945 2.552 17911 11042 1 20 . 1 1 73 73 ILE H H 259 7.598 7.598 7.685 -0.087 17911 11043 1 20 . 1 1 74 74 ALA N N 260 107.454 107.454 131.774 -24.320 17911 11044 1 20 . 1 1 74 74 ALA HA H 260 4.178 4.178 4.283 -0.105 17911 11045 1 20 . 1 1 74 74 ALA CA C 260 52.622 52.622 52.494 0.128 17911 11046 1 20 . 1 1 74 74 ALA CB C 260 18.417 18.417 19.595 -1.178 17911 11047 1 20 . 1 1 74 74 ALA H H 260 9.477 9.477 8.616 0.861 17911 11048 1 20 . 1 1 75 75 VAL N N 261 124.569 124.569 121.945 2.624 17911 11049 1 20 . 1 1 75 75 VAL HA H 261 4.095 4.095 3.904 0.191 17911 11050 1 20 . 1 1 75 75 VAL CA C 261 66.637 66.637 65.743 0.894 17911 11051 1 20 . 1 1 75 75 VAL CB C 261 31.575 31.575 31.479 0.096 17911 11052 1 20 . 1 1 75 75 VAL H H 261 8.927 8.927 8.759 0.168 17911 11053 1 20 . 1 1 76 76 LEU N N 262 117.285 117.285 118.589 -1.304 17911 11054 1 20 . 1 1 76 76 LEU HA H 262 3.827 3.827 3.994 -0.167 17911 11055 1 20 . 1 1 76 76 LEU CA C 262 58.067 58.067 57.242 0.825 17911 11056 1 20 . 1 1 76 76 LEU CB C 262 39.774 39.774 40.965 -1.191 17911 11057 1 20 . 1 1 76 76 LEU H H 262 8.949 8.949 8.168 0.781 17911 11058 1 20 . 1 1 77 77 ASP N N 263 120.854 120.854 120.789 0.065 17911 11059 1 20 . 1 1 77 77 ASP HA H 263 4.639 4.639 4.486 0.153 17911 11060 1 20 . 1 1 77 77 ASP CA C 263 57.131 57.131 57.176 -0.045 17911 11061 1 20 . 1 1 77 77 ASP CB C 263 39.178 39.178 40.837 -1.659 17911 11062 1 20 . 1 1 77 77 ASP H H 263 7.011 7.011 7.997 -0.986 17911 11063 1 20 . 1 1 78 78 MET N N 264 124.661 124.661 121.004 3.657 17911 11064 1 20 . 1 1 78 78 MET HA H 264 4.343 4.343 4.131 0.212 17911 11065 1 20 . 1 1 78 78 MET CA C 264 57.131 57.131 57.867 -0.737 17911 11066 1 20 . 1 1 78 78 MET CB C 264 31.172 31.172 31.902 -0.730 17911 11067 1 20 . 1 1 78 78 MET H H 264 8.025 8.025 8.054 -0.029 17911 11068 1 20 . 1 1 79 79 CYS N N 265 117.740 117.740 118.273 -0.533 17911 11069 1 20 . 1 1 79 79 CYS HA H 265 3.534 3.534 3.680 -0.146 17911 11070 1 20 . 1 1 79 79 CYS CA C 265 64.317 64.317 63.691 0.626 17911 11071 1 20 . 1 1 79 79 CYS CB C 265 25.564 25.564 26.043 -0.479 17911 11072 1 20 . 1 1 79 79 CYS H H 265 8.703 8.703 8.528 0.175 17911 11073 1 20 . 1 1 80 80 ALA N N 266 123.346 123.346 121.911 1.435 17911 11074 1 20 . 1 1 80 80 ALA HA H 266 3.884 3.884 4.026 -0.142 17911 11075 1 20 . 1 1 80 80 ALA CA C 266 55.174 55.174 54.970 0.204 17911 11076 1 20 . 1 1 80 80 ALA CB C 266 17.911 17.911 17.969 -0.058 17911 11077 1 20 . 1 1 80 80 ALA H H 266 7.745 7.745 7.798 -0.053 17911 11078 1 20 . 1 1 81 81 ALA N N 267 122.668 122.668 122.479 0.189 17911 11079 1 20 . 1 1 81 81 ALA HA H 267 4.236 4.236 4.275 -0.039 17911 11080 1 20 . 1 1 81 81 ALA CA C 267 54.778 54.778 54.854 -0.076 17911 11081 1 20 . 1 1 81 81 ALA CB C 267 18.247 18.247 18.687 -0.440 17911 11082 1 20 . 1 1 81 81 ALA H H 267 7.513 7.513 8.164 -0.651 17911 11083 1 20 . 1 1 82 82 LEU N N 268 119.844 119.844 120.578 -0.734 17911 11084 1 20 . 1 1 82 82 LEU HA H 268 3.924 3.924 3.989 -0.065 17911 11085 1 20 . 1 1 82 82 LEU CA C 268 57.613 57.613 57.524 0.089 17911 11086 1 20 . 1 1 82 82 LEU CB C 268 40.681 40.681 41.375 -0.694 17911 11087 1 20 . 1 1 82 82 LEU H H 268 8.304 8.304 8.473 -0.169 17911 11088 1 20 . 1 1 83 83 LYS N N 269 119.140 119.140 119.801 -0.661 17911 11089 1 20 . 1 1 83 83 LYS HA H 269 3.629 3.629 3.855 -0.226 17911 11090 1 20 . 1 1 83 83 LYS CA C 269 60.279 60.279 60.368 -0.089 17911 11091 1 20 . 1 1 83 83 LYS CB C 269 33.052 33.052 32.382 0.670 17911 11092 1 20 . 1 1 83 83 LYS H H 269 8.881 8.881 8.729 0.152 17911 11093 1 20 . 1 1 84 84 GLU N N 270 116.647 116.647 119.030 -2.383 17911 11094 1 20 . 1 1 84 84 GLU HA H 270 4.085 4.085 4.163 -0.078 17911 11095 1 20 . 1 1 84 84 GLU CA C 270 58.903 58.903 58.690 0.213 17911 11096 1 20 . 1 1 84 84 GLU CB C 270 29.223 29.223 29.464 -0.241 17911 11097 1 20 . 1 1 84 84 GLU H H 270 7.107 7.107 7.697 -0.590 17911 11098 1 20 . 1 1 85 85 LEU N N 271 120.657 120.657 121.323 -0.666 17911 11099 1 20 . 1 1 85 85 LEU HA H 271 3.992 3.992 4.205 -0.213 17911 11100 1 20 . 1 1 85 85 LEU CA C 271 57.872 57.872 57.756 0.116 17911 11101 1 20 . 1 1 85 85 LEU CB C 271 42.326 42.326 41.664 0.662 17911 11102 1 20 . 1 1 85 85 LEU H H 271 7.757 7.757 8.265 -0.508 17911 11103 1 20 . 1 1 86 86 LEU N N 272 119.651 119.651 118.837 0.814 17911 11104 1 20 . 1 1 86 86 LEU HA H 272 3.535 3.535 3.713 -0.178 17911 11105 1 20 . 1 1 86 86 LEU CA C 272 57.356 57.356 57.840 -0.484 17911 11106 1 20 . 1 1 86 86 LEU CB C 272 40.880 40.880 41.560 -0.680 17911 11107 1 20 . 1 1 86 86 LEU H H 272 8.336 8.336 8.223 0.113 17911 11108 1 20 . 1 1 87 87 GLN N N 273 113.087 113.087 116.714 -3.627 17911 11109 1 20 . 1 1 87 87 GLN HA H 273 4.099 4.099 3.845 0.254 17911 11110 1 20 . 1 1 87 87 GLN CA C 273 58.387 58.387 57.930 0.457 17911 11111 1 20 . 1 1 87 87 GLN CB C 273 30.159 30.159 29.502 0.657 17911 11112 1 20 . 1 1 87 87 GLN H H 273 7.422 7.422 8.152 -0.730 17911 11113 1 20 . 1 1 88 88 ASN N N 274 113.925 113.925 113.252 0.673 17911 11114 1 20 . 1 1 88 88 ASN HA H 274 4.921 4.921 4.918 0.003 17911 11115 1 20 . 1 1 88 88 ASN CA C 274 53.747 53.747 52.947 0.800 17911 11116 1 20 . 1 1 88 88 ASN CB C 274 40.625 40.625 40.972 -0.347 17911 11117 1 20 . 1 1 88 88 ASN H H 274 8.388 8.388 8.224 0.164 17911 11118 1 20 . 1 1 89 89 GLY N N 275 109.040 109.040 108.976 0.064 17911 11119 1 20 . 1 1 89 89 GLY CA C 275 44.709 44.709 45.333 -0.624 17911 11120 1 20 . 1 1 89 89 GLY H H 275 7.698 7.698 7.685 0.013 17911 11121 1 20 . 1 1 90 90 MET N N 276 115.183 115.183 117.910 -2.727 17911 11122 1 20 . 1 1 90 90 MET HA H 276 4.434 4.434 4.779 -0.345 17911 11123 1 20 . 1 1 90 90 MET CA C 276 56.791 56.791 55.711 1.080 17911 11124 1 20 . 1 1 90 90 MET CB C 276 33.637 33.637 33.404 0.234 17911 11125 1 20 . 1 1 90 90 MET H H 276 8.599 8.599 8.469 0.130 17911 11126 1 20 . 1 1 91 91 ASN N N 277 118.020 118.020 118.948 -0.928 17911 11127 1 20 . 1 1 91 91 ASN HA H 277 4.301 4.301 4.365 -0.064 17911 11128 1 20 . 1 1 91 91 ASN CA C 277 53.983 53.983 53.988 -0.005 17911 11129 1 20 . 1 1 91 91 ASN CB C 277 37.987 37.987 36.726 1.261 17911 11130 1 20 . 1 1 91 91 ASN H H 277 9.033 9.033 8.641 0.392 17911 11131 1 20 . 1 1 92 92 GLY N N 278 104.906 104.906 102.213 2.693 17911 11132 1 20 . 1 1 92 92 GLY CA C 278 45.645 45.645 45.166 0.479 17911 11133 1 20 . 1 1 92 92 GLY H H 278 8.538 8.538 8.438 0.100 17911 11134 1 20 . 1 1 93 93 ARG N N 279 120.056 120.056 120.453 -0.397 17911 11135 1 20 . 1 1 93 93 ARG HA H 279 4.237 4.237 4.115 0.122 17911 11136 1 20 . 1 1 93 93 ARG CA C 279 55.344 55.344 56.491 -1.147 17911 11137 1 20 . 1 1 93 93 ARG CB C 279 31.491 31.491 30.400 1.091 17911 11138 1 20 . 1 1 93 93 ARG H H 279 7.257 7.257 7.584 -0.327 17911 11139 1 20 . 1 1 94 94 THR N N 280 106.223 106.223 113.161 -6.938 17911 11140 1 20 . 1 1 94 94 THR HA H 280 5.028 5.028 4.723 0.305 17911 11141 1 20 . 1 1 94 94 THR CA C 280 59.684 59.684 62.321 -2.637 17911 11142 1 20 . 1 1 94 94 THR CB C 280 72.787 72.787 69.759 3.028 17911 11143 1 20 . 1 1 94 94 THR H H 280 7.726 7.726 8.300 -0.574 17911 11144 1 20 . 1 1 95 95 ILE N N 281 121.214 121.214 123.378 -2.164 17911 11145 1 20 . 1 1 95 95 ILE HA H 281 4.301 4.301 4.613 -0.312 17911 11146 1 20 . 1 1 95 95 ILE CA C 281 62.066 62.066 61.486 0.580 17911 11147 1 20 . 1 1 95 95 ILE CB C 281 40.539 40.539 40.370 0.169 17911 11148 1 20 . 1 1 95 95 ILE H H 281 8.761 8.761 8.691 0.070 17911 11149 1 20 . 1 1 96 96 LEU N N 282 128.347 128.347 118.996 9.351 17911 11150 1 20 . 1 1 96 96 LEU HA H 282 3.850 3.850 4.407 -0.557 17911 11151 1 20 . 1 1 96 96 LEU CA C 282 55.344 55.344 54.201 1.143 17911 11152 1 20 . 1 1 96 96 LEU CB C 282 40.539 40.539 42.320 -1.781 17911 11153 1 20 . 1 1 96 96 LEU H H 282 9.905 9.905 7.477 2.428 17911 11154 1 20 . 1 1 97 97 GLY N N 283 103.322 103.322 107.388 -4.066 17911 11155 1 20 . 1 1 97 97 GLY CA C 283 45.645 45.645 45.121 0.524 17911 11156 1 20 . 1 1 97 97 GLY H H 283 8.937 8.937 8.348 0.589 17911 11157 1 20 . 1 1 98 98 SER N N 284 116.619 116.619 114.616 2.003 17911 11158 1 20 . 1 1 98 98 SER HA H 284 4.950 4.950 4.886 0.064 17911 11159 1 20 . 1 1 98 98 SER CA C 284 56.961 56.961 56.210 0.751 17911 11160 1 20 . 1 1 98 98 SER CB C 284 65.044 65.044 64.079 0.965 17911 11161 1 20 . 1 1 98 98 SER H H 284 8.612 8.612 7.981 0.631 17911 11162 1 20 . 1 1 99 99 THR N N 285 114.513 114.513 115.145 -0.632 17911 11163 1 20 . 1 1 99 99 THR HA H 285 4.598 4.598 4.641 -0.043 17911 11164 1 20 . 1 1 99 99 THR CA C 285 61.739 61.739 63.245 -1.506 17911 11165 1 20 . 1 1 99 99 THR CB C 285 69.214 69.214 68.825 0.389 17911 11166 1 20 . 1 1 99 99 THR H H 285 8.601 8.601 8.494 0.107 17911 11167 1 20 . 1 1 100 100 ILE N N 286 117.511 117.511 117.579 -0.068 17911 11168 1 20 . 1 1 100 100 ILE HA H 286 4.496 4.496 4.840 -0.344 17911 11169 1 20 . 1 1 100 100 ILE CA C 286 59.173 59.173 59.036 0.137 17911 11170 1 20 . 1 1 100 100 ILE CB C 286 41.887 41.887 40.700 1.187 17911 11171 1 20 . 1 1 100 100 ILE H H 286 7.931 7.931 7.314 0.617 17911 11172 1 20 . 1 1 101 101 LEU N N 287 121.101 121.101 118.978 2.123 17911 11173 1 20 . 1 1 101 101 LEU HA H 287 4.157 4.157 4.542 -0.385 17911 11174 1 20 . 1 1 101 101 LEU CA C 287 54.520 54.520 54.053 0.466 17911 11175 1 20 . 1 1 101 101 LEU CB C 287 40.083 40.083 43.029 -2.946 17911 11176 1 20 . 1 1 101 101 LEU H H 287 8.025 8.025 8.165 -0.140 17911 11177 1 20 . 1 1 102 102 GLU HA H 288 3.720 3.720 4.244 -0.524 17911 11178 1 20 . 1 1 102 102 GLU CA C 288 55.770 55.770 54.531 1.239 17911 11179 1 20 . 1 1 102 102 GLU CB C 288 29.904 29.904 32.851 -2.947 17911 11180 1 20 . 1 1 103 103 ASP N N 289 121.287 121.287 118.599 2.688 17911 11181 1 20 . 1 1 103 103 ASP HA H 289 4.513 4.513 4.599 -0.086 17911 11182 1 20 . 1 1 103 103 ASP CA C 289 52.281 52.281 53.594 -1.313 17911 11183 1 20 . 1 1 103 103 ASP CB C 289 42.922 42.922 40.745 2.177 17911 11184 1 20 . 1 1 103 103 ASP H H 289 8.014 8.014 8.392 -0.378 17911 11185 1 20 . 1 1 104 104 GLU N N 290 118.245 118.245 119.221 -0.976 17911 11186 1 20 . 1 1 104 104 GLU HA H 290 3.904 3.904 4.039 -0.135 17911 11187 1 20 . 1 1 104 104 GLU CA C 290 57.614 57.614 57.459 0.155 17911 11188 1 20 . 1 1 104 104 GLU CB C 290 30.499 30.499 29.755 0.744 17911 11189 1 20 . 1 1 104 104 GLU H H 290 7.432 7.432 8.433 -1.001 17911 11190 1 20 . 1 1 105 105 PHE N N 291 120.606 120.606 118.891 1.715 17911 11191 1 20 . 1 1 105 105 PHE HA H 291 4.838 4.838 4.786 0.052 17911 11192 1 20 . 1 1 105 105 PHE CA C 291 56.536 56.536 56.182 0.354 17911 11193 1 20 . 1 1 105 105 PHE CB C 291 39.774 39.774 41.282 -1.508 17911 11194 1 20 . 1 1 105 105 PHE H H 291 8.835 8.835 7.644 1.191 17911 11195 1 20 . 1 1 106 106 THR N N 292 111.349 111.349 114.295 -2.946 17911 11196 1 20 . 1 1 106 106 THR HA H 292 4.670 4.670 5.037 -0.367 17911 11197 1 20 . 1 1 106 106 THR CA C 292 59.344 59.344 58.955 0.389 17911 11198 1 20 . 1 1 106 106 THR CB C 292 69.299 69.299 69.111 0.188 17911 11199 1 20 . 1 1 106 106 THR H H 292 8.757 8.757 8.697 0.060 17911 11200 1 20 . 1 1 107 107 PRO HA H 293 3.988 3.988 4.508 -0.520 17911 11201 1 20 . 1 1 107 107 PRO CA C 293 65.606 65.606 64.412 1.194 17911 11202 1 20 . 1 1 107 107 PRO CB C 293 31.321 31.321 31.524 -0.203 17911 11203 1 20 . 1 1 108 108 PHE N N 294 114.627 114.627 118.261 -3.634 17911 11204 1 20 . 1 1 108 108 PHE HA H 294 4.201 4.201 4.259 -0.058 17911 11205 1 20 . 1 1 108 108 PHE CA C 294 59.676 59.676 59.638 0.038 17911 11206 1 20 . 1 1 108 108 PHE CB C 294 38.582 38.582 38.932 -0.350 17911 11207 1 20 . 1 1 108 108 PHE H H 294 7.310 7.310 8.441 -1.131 17911 11208 1 20 . 1 1 109 109 ASP N N 295 120.210 120.210 117.200 3.010 17911 11209 1 20 . 1 1 109 109 ASP HA H 295 4.404 4.404 4.391 0.013 17911 11210 1 20 . 1 1 109 109 ASP CA C 295 57.098 57.098 54.072 3.026 17911 11211 1 20 . 1 1 109 109 ASP CB C 295 41.475 41.475 41.494 -0.019 17911 11212 1 20 . 1 1 109 109 ASP H H 295 7.837 7.837 7.596 0.241 17911 11213 1 20 . 1 1 110 110 VAL N N 296 119.070 119.070 113.819 5.251 17911 11214 1 20 . 1 1 110 110 VAL HA H 296 3.602 3.602 3.600 0.002 17911 11215 1 20 . 1 1 110 110 VAL CA C 296 66.491 66.491 63.637 2.854 17911 11216 1 20 . 1 1 110 110 VAL CB C 296 31.605 31.605 29.562 2.043 17911 11217 1 20 . 1 1 110 110 VAL H H 296 7.945 7.945 7.942 0.003 17911 11218 1 20 . 1 1 111 111 VAL N N 297 119.540 119.540 113.205 6.335 17911 11219 1 20 . 1 1 111 111 VAL HA H 297 3.601 3.601 3.627 -0.026 17911 11220 1 20 . 1 1 111 111 VAL CA C 297 66.379 66.379 64.118 2.261 17911 11221 1 20 . 1 1 111 111 VAL CB C 297 31.605 31.605 29.986 1.619 17911 11222 1 20 . 1 1 111 111 VAL H H 297 8.109 8.109 8.327 -0.218 17911 11223 1 20 . 1 1 112 112 ARG N N 298 119.680 119.680 118.107 1.573 17911 11224 1 20 . 1 1 112 112 ARG HA H 298 4.010 4.010 3.864 0.146 17911 11225 1 20 . 1 1 112 112 ARG CA C 298 58.634 58.634 57.292 1.342 17911 11226 1 20 . 1 1 112 112 ARG CB C 298 30.028 30.028 27.974 2.054 17911 11227 1 20 . 1 1 112 112 ARG H H 298 7.710 7.710 8.127 -0.417 17911 11228 1 20 . 1 1 113 113 GLN N N 299 117.786 117.786 118.429 -0.643 17911 11229 1 20 . 1 1 113 113 GLN HA H 299 4.158 4.158 4.326 -0.168 17911 11230 1 20 . 1 1 113 113 GLN CA C 299 57.557 57.557 57.002 0.555 17911 11231 1 20 . 1 1 113 113 GLN CB C 299 29.308 29.308 30.224 -0.916 17911 11232 1 20 . 1 1 113 113 GLN H H 299 8.033 8.033 8.302 -0.269 17911 11233 1 20 . 1 1 114 114 CYS N N 300 115.786 115.786 118.627 -2.841 17911 11234 1 20 . 1 1 114 114 CYS HA H 300 4.470 4.470 4.861 -0.391 17911 11235 1 20 . 1 1 114 114 CYS CA C 300 59.934 59.934 57.725 2.209 17911 11236 1 20 . 1 1 114 114 CYS CB C 300 28.293 28.293 28.261 0.032 17911 11237 1 20 . 1 1 114 114 CYS H H 300 8.071 8.071 8.295 -0.224 17911 11238 1 20 . 1 1 115 115 SER N N 301 116.258 116.258 114.984 1.274 17911 11239 1 20 . 1 1 115 115 SER HA H 301 4.407 4.407 4.679 -0.272 17911 11240 1 20 . 1 1 115 115 SER CA C 301 59.485 59.485 57.334 2.151 17911 11241 1 20 . 1 1 115 115 SER CB C 301 63.286 63.286 64.944 -1.658 17911 11242 1 20 . 1 1 115 115 SER H H 301 7.883 7.883 7.579 0.304 17911 11243 1 20 . 1 1 116 116 GLY N N 302 110.709 110.709 107.820 2.889 17911 11244 1 20 . 1 1 116 116 GLY CA C 302 45.239 45.239 45.006 0.233 17911 11245 1 20 . 1 1 116 116 GLY H H 302 8.355 8.355 8.584 -0.229 17911 11246 1 20 . 1 1 117 117 VAL N N 303 119.189 119.189 115.339 3.850 17911 11247 1 20 . 1 1 117 117 VAL HA H 303 4.057 4.057 3.650 0.407 17911 11248 1 20 . 1 1 117 117 VAL CA C 303 62.236 62.236 63.046 -0.810 17911 11249 1 20 . 1 1 117 117 VAL CB C 303 32.626 32.626 30.487 2.139 17911 11250 1 20 . 1 1 117 117 VAL H H 303 7.710 7.710 7.443 0.267 17911 11251 1 20 . 1 1 118 118 THR N N 304 118.009 118.009 110.542 7.467 17911 11252 1 20 . 1 1 118 118 THR HA H 304 4.279 4.279 4.032 0.247 17911 11253 1 20 . 1 1 118 118 THR CA C 304 61.556 61.556 63.717 -2.161 17911 11254 1 20 . 1 1 118 118 THR CB C 304 69.894 69.894 68.565 1.329 17911 11255 1 20 . 1 1 118 118 THR H H 304 8.109 8.109 7.698 0.411 17911 11256 1 20 . 1 1 119 119 PHE N N 305 123.287 123.287 119.873 3.414 17911 11257 1 20 . 1 1 119 119 PHE HA H 305 4.605 4.605 4.377 0.228 17911 11258 1 20 . 1 1 119 119 PHE CA C 305 57.727 57.727 59.694 -1.967 17911 11259 1 20 . 1 1 119 119 PHE CB C 305 39.859 39.859 38.954 0.905 17911 11260 1 20 . 1 1 119 119 PHE H H 305 8.298 8.298 7.860 0.438 17911 11261 1 21 . 1 1 2 2 ARG N N 188 121.886 121.886 125.044 -3.158 17911 11262 1 21 . 1 1 2 2 ARG HA H 188 4.242 4.242 4.017 0.225 17911 11263 1 21 . 1 1 2 2 ARG CA C 188 56.487 56.487 57.977 -1.490 17911 11264 1 21 . 1 1 2 2 ARG CB C 188 30.857 30.857 29.493 1.364 17911 11265 1 21 . 1 1 2 2 ARG H H 188 8.475 8.475 8.818 -0.343 17911 11266 1 21 . 1 1 3 3 GLN N N 189 121.336 121.336 117.405 3.931 17911 11267 1 21 . 1 1 3 3 GLN HA H 189 4.302 4.302 4.229 0.073 17911 11268 1 21 . 1 1 3 3 GLN CA C 189 56.366 56.366 57.734 -1.368 17911 11269 1 21 . 1 1 3 3 GLN CB C 189 29.254 29.254 29.124 0.130 17911 11270 1 21 . 1 1 3 3 GLN H H 189 8.553 8.553 8.400 0.153 17911 11271 1 21 . 1 1 4 4 THR N N 190 115.273 115.273 111.336 3.937 17911 11272 1 21 . 1 1 4 4 THR HA H 190 4.275 4.275 4.382 -0.107 17911 11273 1 21 . 1 1 4 4 THR CA C 190 62.066 62.066 61.863 0.203 17911 11274 1 21 . 1 1 4 4 THR CB C 190 69.894 69.894 70.272 -0.378 17911 11275 1 21 . 1 1 4 4 THR H H 190 8.123 8.123 7.792 0.331 17911 11276 1 21 . 1 1 5 5 ALA N N 191 126.029 126.029 125.273 0.756 17911 11277 1 21 . 1 1 5 5 ALA HA H 191 4.247 4.247 4.289 -0.042 17911 11278 1 21 . 1 1 5 5 ALA CA C 191 52.537 52.537 52.839 -0.302 17911 11279 1 21 . 1 1 5 5 ALA CB C 191 19.183 19.183 19.467 -0.284 17911 11280 1 21 . 1 1 5 5 ALA H H 191 8.284 8.284 7.902 0.382 17911 11281 1 21 . 1 1 6 6 GLN N N 192 119.614 119.614 118.881 0.733 17911 11282 1 21 . 1 1 6 6 GLN HA H 192 4.217 4.217 4.432 -0.215 17911 11283 1 21 . 1 1 6 6 GLN CA C 192 55.685 55.685 55.415 0.270 17911 11284 1 21 . 1 1 6 6 GLN CB C 192 29.513 29.513 30.668 -1.155 17911 11285 1 21 . 1 1 6 6 GLN H H 192 8.287 8.287 8.442 -0.155 17911 11286 1 21 . 1 1 7 7 ALA N N 193 125.571 125.571 123.344 2.227 17911 11287 1 21 . 1 1 7 7 ALA HA H 193 4.246 4.246 4.500 -0.254 17911 11288 1 21 . 1 1 7 7 ALA CA C 193 52.537 52.537 52.403 0.134 17911 11289 1 21 . 1 1 7 7 ALA CB C 193 19.268 19.268 19.336 -0.068 17911 11290 1 21 . 1 1 7 7 ALA H H 193 8.271 8.271 8.487 -0.216 17911 11291 1 21 . 1 1 8 8 ALA N N 194 123.461 123.461 119.834 3.627 17911 11292 1 21 . 1 1 8 8 ALA HA H 194 4.250 4.250 3.913 0.337 17911 11293 1 21 . 1 1 8 8 ALA CA C 194 52.593 52.593 52.472 0.121 17911 11294 1 21 . 1 1 8 8 ALA CB C 194 19.324 19.324 17.693 1.631 17911 11295 1 21 . 1 1 8 8 ALA H H 194 8.275 8.275 8.308 -0.033 17911 11296 1 21 . 1 1 9 9 GLY N N 195 108.312 108.312 105.546 2.766 17911 11297 1 21 . 1 1 9 9 GLY CA C 195 45.219 45.219 46.215 -0.996 17911 11298 1 21 . 1 1 9 9 GLY H H 195 8.328 8.328 8.376 -0.048 17911 11299 1 21 . 1 1 10 10 THR N N 196 112.710 112.710 112.602 0.108 17911 11300 1 21 . 1 1 10 10 THR HA H 196 4.334 4.334 4.222 0.112 17911 11301 1 21 . 1 1 10 10 THR CA C 196 61.471 61.471 63.193 -1.722 17911 11302 1 21 . 1 1 10 10 THR CB C 196 69.894 69.894 68.918 0.976 17911 11303 1 21 . 1 1 10 10 THR H H 196 7.998 7.998 7.707 0.291 17911 11304 1 21 . 1 1 11 11 ASP N N 197 122.862 122.862 119.711 3.151 17911 11305 1 21 . 1 1 11 11 ASP HA H 197 4.609 4.609 4.757 -0.148 17911 11306 1 21 . 1 1 11 11 ASP CA C 197 54.262 54.262 54.581 -0.319 17911 11307 1 21 . 1 1 11 11 ASP CB C 197 41.135 41.135 43.126 -1.991 17911 11308 1 21 . 1 1 11 11 ASP H H 197 8.404 8.404 8.024 0.380 17911 11309 1 21 . 1 1 12 12 THR N N 198 114.709 114.709 112.934 1.775 17911 11310 1 21 . 1 1 12 12 THR HA H 198 4.400 4.400 4.902 -0.502 17911 11311 1 21 . 1 1 12 12 THR CA C 198 61.223 61.223 60.924 0.299 17911 11312 1 21 . 1 1 12 12 THR CB C 198 70.490 70.490 70.886 -0.396 17911 11313 1 21 . 1 1 12 12 THR H H 198 7.895 7.895 8.030 -0.135 17911 11314 1 21 . 1 1 13 13 THR N N 199 122.785 122.785 116.166 6.619 17911 11315 1 21 . 1 1 13 13 THR HA H 199 3.961 3.961 4.805 -0.844 17911 11316 1 21 . 1 1 13 13 THR CA C 199 63.286 63.286 61.584 1.702 17911 11317 1 21 . 1 1 13 13 THR CB C 199 68.958 68.958 70.417 -1.459 17911 11318 1 21 . 1 1 13 13 THR H H 199 8.354 8.354 7.919 0.435 17911 11319 1 21 . 1 1 14 14 ILE N N 200 127.902 127.902 129.540 -1.638 17911 11320 1 21 . 1 1 14 14 ILE HA H 200 3.807 3.807 4.324 -0.517 17911 11321 1 21 . 1 1 14 14 ILE CA C 200 60.965 60.965 60.863 0.102 17911 11322 1 21 . 1 1 14 14 ILE CB C 200 35.860 35.860 35.565 0.295 17911 11323 1 21 . 1 1 14 14 ILE H H 200 9.362 9.362 9.264 0.098 17911 11324 1 21 . 1 1 15 15 THR N N 201 130.379 130.379 124.060 6.319 17911 11325 1 21 . 1 1 15 15 THR HA H 201 3.521 3.521 4.052 -0.531 17911 11326 1 21 . 1 1 15 15 THR CA C 201 66.637 66.637 67.192 -0.554 17911 11327 1 21 . 1 1 15 15 THR CB C 201 67.411 67.411 68.569 -1.158 17911 11328 1 21 . 1 1 15 15 THR H H 201 7.834 7.834 8.202 -0.368 17911 11329 1 21 . 1 1 16 16 LEU N N 202 120.049 120.049 120.868 -0.819 17911 11330 1 21 . 1 1 16 16 LEU HA H 202 3.715 3.715 4.076 -0.361 17911 11331 1 21 . 1 1 16 16 LEU CA C 202 58.387 58.387 58.579 -0.192 17911 11332 1 21 . 1 1 16 16 LEU CB C 202 43.148 43.148 41.326 1.822 17911 11333 1 21 . 1 1 16 16 LEU H H 202 8.913 8.913 8.492 0.421 17911 11334 1 21 . 1 1 17 17 ASN N N 203 117.390 117.390 117.422 -0.032 17911 11335 1 21 . 1 1 17 17 ASN HA H 203 4.594 4.594 4.821 -0.227 17911 11336 1 21 . 1 1 17 17 ASN CA C 203 54.520 54.520 55.789 -1.269 17911 11337 1 21 . 1 1 17 17 ASN CB C 203 37.246 37.246 38.255 -1.009 17911 11338 1 21 . 1 1 17 17 ASN H H 203 6.926 6.926 7.986 -1.060 17911 11339 1 21 . 1 1 18 18 VAL N N 204 123.434 123.434 122.700 0.734 17911 11340 1 21 . 1 1 18 18 VAL HA H 204 4.242 4.242 3.977 0.265 17911 11341 1 21 . 1 1 18 18 VAL CA C 204 66.236 66.236 66.766 -0.530 17911 11342 1 21 . 1 1 18 18 VAL CB C 204 31.605 31.605 31.850 -0.245 17911 11343 1 21 . 1 1 18 18 VAL H H 204 7.660 7.660 7.916 -0.256 17911 11344 1 21 . 1 1 19 19 LEU N N 205 117.301 117.301 120.095 -2.794 17911 11345 1 21 . 1 1 19 19 LEU HA H 205 3.945 3.945 3.912 0.033 17911 11346 1 21 . 1 1 19 19 LEU CA C 205 58.408 58.408 58.278 0.130 17911 11347 1 21 . 1 1 19 19 LEU CB C 205 42.918 42.918 41.255 1.663 17911 11348 1 21 . 1 1 19 19 LEU H H 205 8.573 8.573 8.619 -0.046 17911 11349 1 21 . 1 1 20 20 ALA N N 206 120.290 120.290 122.085 -1.795 17911 11350 1 21 . 1 1 20 20 ALA HA H 206 4.012 4.012 4.233 -0.221 17911 11351 1 21 . 1 1 20 20 ALA CA C 206 56.195 56.195 55.444 0.751 17911 11352 1 21 . 1 1 20 20 ALA CB C 206 17.911 17.911 18.366 -0.455 17911 11353 1 21 . 1 1 20 20 ALA H H 206 8.188 8.188 8.295 -0.107 17911 11354 1 21 . 1 1 21 21 TRP N N 207 121.219 121.219 120.777 0.442 17911 11355 1 21 . 1 1 21 21 TRP HA H 207 4.110 4.110 4.324 -0.214 17911 11356 1 21 . 1 1 21 21 TRP CA C 207 61.224 61.224 61.888 -0.664 17911 11357 1 21 . 1 1 21 21 TRP CB C 207 28.712 28.712 29.709 -0.997 17911 11358 1 21 . 1 1 21 21 TRP H H 207 8.406 8.406 8.459 -0.053 17911 11359 1 21 . 1 1 22 22 LEU HA H 208 3.517 3.517 3.677 -0.160 17911 11360 1 21 . 1 1 22 22 LEU CA C 208 57.897 57.897 57.741 0.156 17911 11361 1 21 . 1 1 22 22 LEU CB C 208 40.880 40.880 40.472 0.408 17911 11362 1 21 . 1 1 22 22 LEU H H 208 8.620 8.620 8.789 -0.169 17911 11363 1 21 . 1 1 23 23 TYR N N 209 117.656 117.656 119.154 -1.498 17911 11364 1 21 . 1 1 23 23 TYR HA H 209 3.956 3.956 4.069 -0.113 17911 11365 1 21 . 1 1 23 23 TYR CA C 209 64.704 64.704 62.220 2.484 17911 11366 1 21 . 1 1 23 23 TYR CB C 209 38.793 38.793 37.562 1.231 17911 11367 1 21 . 1 1 23 23 TYR H H 209 8.368 8.368 8.547 -0.179 17911 11368 1 21 . 1 1 24 24 ALA N N 210 122.658 122.658 121.161 1.497 17911 11369 1 21 . 1 1 24 24 ALA HA H 210 3.837 3.837 3.779 0.058 17911 11370 1 21 . 1 1 24 24 ALA CA C 210 55.036 55.036 54.869 0.167 17911 11371 1 21 . 1 1 24 24 ALA CB C 210 17.311 17.311 17.919 -0.608 17911 11372 1 21 . 1 1 24 24 ALA H H 210 8.461 8.461 8.466 -0.005 17911 11373 1 21 . 1 1 25 25 ALA N N 211 123.868 123.868 121.443 2.425 17911 11374 1 21 . 1 1 25 25 ALA HA H 211 3.761 3.761 3.838 -0.077 17911 11375 1 21 . 1 1 25 25 ALA CA C 211 55.551 55.551 54.664 0.887 17911 11376 1 21 . 1 1 25 25 ALA CB C 211 17.992 17.992 18.246 -0.254 17911 11377 1 21 . 1 1 25 25 ALA H H 211 8.564 8.564 7.837 0.727 17911 11378 1 21 . 1 1 26 26 VAL N N 212 119.783 119.783 119.414 0.369 17911 11379 1 21 . 1 1 26 26 VAL HA H 212 3.487 3.487 3.374 0.113 17911 11380 1 21 . 1 1 26 26 VAL CA C 212 66.576 66.576 66.466 0.109 17911 11381 1 21 . 1 1 26 26 VAL CB C 212 31.575 31.575 31.730 -0.155 17911 11382 1 21 . 1 1 26 26 VAL H H 212 8.008 8.008 8.026 -0.018 17911 11383 1 21 . 1 1 27 27 ILE N N 213 124.428 124.428 117.284 7.144 17911 11384 1 21 . 1 1 27 27 ILE HA H 213 3.559 3.559 3.733 -0.174 17911 11385 1 21 . 1 1 27 27 ILE CA C 213 65.526 65.526 64.292 1.234 17911 11386 1 21 . 1 1 27 27 ILE CB C 213 37.902 37.902 37.880 0.022 17911 11387 1 21 . 1 1 27 27 ILE H H 213 8.576 8.576 8.197 0.379 17911 11388 1 21 . 1 1 28 28 ASN N N 214 116.563 116.563 116.011 0.552 17911 11389 1 21 . 1 1 28 28 ASN HA H 214 4.565 4.565 4.627 -0.062 17911 11390 1 21 . 1 1 28 28 ASN CA C 214 54.579 54.579 54.452 0.127 17911 11391 1 21 . 1 1 28 28 ASN CB C 214 40.340 40.340 40.688 -0.347 17911 11392 1 21 . 1 1 28 28 ASN H H 214 7.714 7.714 7.929 -0.215 17911 11393 1 21 . 1 1 29 29 GLY N N 215 107.004 107.004 106.436 0.568 17911 11394 1 21 . 1 1 29 29 GLY CA C 215 45.683 45.683 45.063 0.620 17911 11395 1 21 . 1 1 29 29 GLY H H 215 7.861 7.861 8.465 -0.604 17911 11396 1 21 . 1 1 30 30 ASP N N 216 125.780 125.780 123.300 2.480 17911 11397 1 21 . 1 1 30 30 ASP HA H 216 5.019 5.019 4.568 0.451 17911 11398 1 21 . 1 1 30 30 ASP CA C 216 53.643 53.643 53.888 -0.245 17911 11399 1 21 . 1 1 30 30 ASP CB C 216 41.561 41.561 39.648 1.913 17911 11400 1 21 . 1 1 30 30 ASP H H 216 8.560 8.560 8.254 0.306 17911 11401 1 21 . 1 1 31 31 ARG N N 217 115.297 115.297 119.105 -3.808 17911 11402 1 21 . 1 1 31 31 ARG HA H 217 3.711 3.711 2.816 0.895 17911 11403 1 21 . 1 1 31 31 ARG CA C 217 54.520 54.520 56.953 -2.433 17911 11404 1 21 . 1 1 31 31 ARG CB C 217 32.116 32.116 28.121 3.995 17911 11405 1 21 . 1 1 31 31 ARG H H 217 7.984 7.984 7.533 0.451 17911 11406 1 21 . 1 1 32 32 TRP N N 218 119.754 119.754 119.264 0.490 17911 11407 1 21 . 1 1 32 32 TRP HA H 218 4.120 4.120 4.322 -0.202 17911 11408 1 21 . 1 1 32 32 TRP CA C 218 58.387 58.387 58.067 0.320 17911 11409 1 21 . 1 1 32 32 TRP CB C 218 28.372 28.372 28.167 0.205 17911 11410 1 21 . 1 1 32 32 TRP H H 218 7.368 7.368 6.663 0.705 17911 11411 1 21 . 1 1 33 33 PHE HA H 219 3.919 3.919 4.615 -0.696 17911 11412 1 21 . 1 1 33 33 PHE CA C 219 55.315 55.315 57.168 -1.853 17911 11413 1 21 . 1 1 33 33 PHE CB C 219 37.277 37.277 38.087 -0.810 17911 11414 1 21 . 1 1 34 34 LEU N N 220 122.632 122.632 120.786 1.846 17911 11415 1 21 . 1 1 34 34 LEU HA H 220 3.931 3.931 4.148 -0.217 17911 11416 1 21 . 1 1 34 34 LEU CA C 220 55.315 55.315 55.405 -0.090 17911 11417 1 21 . 1 1 34 34 LEU CB C 220 40.790 40.790 42.058 -1.268 17911 11418 1 21 . 1 1 34 34 LEU H H 220 6.447 6.447 7.214 -0.767 17911 11419 1 21 . 1 1 35 35 ASN N N 221 119.503 119.503 118.984 0.519 17911 11420 1 21 . 1 1 35 35 ASN HA H 221 4.709 4.709 4.770 -0.061 17911 11421 1 21 . 1 1 35 35 ASN CA C 221 52.026 52.026 51.990 0.036 17911 11422 1 21 . 1 1 35 35 ASN CB C 221 40.598 40.598 39.378 1.220 17911 11423 1 21 . 1 1 35 35 ASN H H 221 8.105 8.105 8.767 -0.662 17911 11424 1 21 . 1 1 36 36 ARG N N 222 116.408 116.408 114.489 1.919 17911 11425 1 21 . 1 1 36 36 ARG HA H 222 4.293 4.293 3.801 0.492 17911 11426 1 21 . 1 1 36 36 ARG CA C 222 55.600 55.600 57.767 -2.167 17911 11427 1 21 . 1 1 36 36 ARG CB C 222 28.997 28.997 27.554 1.443 17911 11428 1 21 . 1 1 36 36 ARG H H 222 8.099 8.099 8.397 -0.298 17911 11429 1 21 . 1 1 37 37 PHE N N 223 120.398 120.398 117.569 2.829 17911 11430 1 21 . 1 1 37 37 PHE HA H 223 4.813 4.813 4.853 -0.040 17911 11431 1 21 . 1 1 37 37 PHE CA C 223 56.081 56.081 54.983 1.098 17911 11432 1 21 . 1 1 37 37 PHE CB C 223 40.085 40.085 41.572 -1.487 17911 11433 1 21 . 1 1 37 37 PHE H H 223 7.842 7.842 7.422 0.420 17911 11434 1 21 . 1 1 38 38 THR N N 224 112.040 112.040 112.184 -0.144 17911 11435 1 21 . 1 1 38 38 THR HA H 224 4.653 4.653 4.609 0.044 17911 11436 1 21 . 1 1 38 38 THR CA C 224 60.708 60.708 61.630 -0.922 17911 11437 1 21 . 1 1 38 38 THR CB C 224 71.000 71.000 69.771 1.229 17911 11438 1 21 . 1 1 38 38 THR H H 224 8.231 8.231 8.417 -0.186 17911 11439 1 21 . 1 1 39 39 THR N N 225 116.627 116.627 114.044 2.583 17911 11440 1 21 . 1 1 39 39 THR HA H 225 4.925 4.925 4.616 0.309 17911 11441 1 21 . 1 1 39 39 THR CA C 225 59.677 59.677 60.242 -0.566 17911 11442 1 21 . 1 1 39 39 THR CB C 225 69.989 69.989 71.106 -1.117 17911 11443 1 21 . 1 1 39 39 THR H H 225 8.107 8.107 7.958 0.149 17911 11444 1 21 . 1 1 40 40 THR N N 226 111.263 111.263 116.359 -5.096 17911 11445 1 21 . 1 1 40 40 THR HA H 226 4.727 4.727 4.527 0.200 17911 11446 1 21 . 1 1 40 40 THR CA C 226 59.740 59.740 60.823 -1.083 17911 11447 1 21 . 1 1 40 40 THR CB C 226 72.052 72.052 70.427 1.625 17911 11448 1 21 . 1 1 40 40 THR H H 226 8.481 8.481 8.158 0.323 17911 11449 1 21 . 1 1 41 41 LEU N N 227 123.989 123.989 124.198 -0.209 17911 11450 1 21 . 1 1 41 41 LEU HA H 227 3.986 3.986 4.184 -0.198 17911 11451 1 21 . 1 1 41 41 LEU CA C 227 58.903 58.903 58.175 0.728 17911 11452 1 21 . 1 1 41 41 LEU CB C 227 41.561 41.561 41.904 -0.343 17911 11453 1 21 . 1 1 41 41 LEU H H 227 9.259 9.259 8.815 0.444 17911 11454 1 21 . 1 1 42 42 ASN N N 228 115.183 115.183 117.116 -1.933 17911 11455 1 21 . 1 1 42 42 ASN HA H 228 4.435 4.435 4.425 0.010 17911 11456 1 21 . 1 1 42 42 ASN CA C 228 56.961 56.961 57.327 -0.366 17911 11457 1 21 . 1 1 42 42 ASN CB C 228 38.497 38.497 38.154 0.343 17911 11458 1 21 . 1 1 42 42 ASN H H 228 8.598 8.598 8.495 0.103 17911 11459 1 21 . 1 1 43 43 ASP N N 229 118.746 118.746 119.965 -1.219 17911 11460 1 21 . 1 1 43 43 ASP HA H 229 4.367 4.367 4.445 -0.078 17911 11461 1 21 . 1 1 43 43 ASP CA C 229 57.387 57.387 57.072 0.315 17911 11462 1 21 . 1 1 43 43 ASP CB C 229 40.625 40.625 40.972 -0.347 17911 11463 1 21 . 1 1 43 43 ASP H H 229 7.847 7.847 7.865 -0.018 17911 11464 1 21 . 1 1 44 44 PHE N N 230 120.193 120.193 121.131 -0.938 17911 11465 1 21 . 1 1 44 44 PHE HA H 230 3.808 3.808 4.145 -0.337 17911 11466 1 21 . 1 1 44 44 PHE CA C 230 62.747 62.747 61.461 1.286 17911 11467 1 21 . 1 1 44 44 PHE CB C 230 38.753 38.753 39.336 -0.583 17911 11468 1 21 . 1 1 44 44 PHE H H 230 8.547 8.547 8.359 0.188 17911 11469 1 21 . 1 1 45 45 ASN N N 231 118.852 118.852 118.243 0.609 17911 11470 1 21 . 1 1 45 45 ASN HA H 231 4.472 4.472 4.207 0.265 17911 11471 1 21 . 1 1 45 45 ASN CA C 231 55.344 55.344 56.195 -0.851 17911 11472 1 21 . 1 1 45 45 ASN CB C 231 37.391 37.391 38.237 -0.846 17911 11473 1 21 . 1 1 45 45 ASN H H 231 8.727 8.727 8.527 0.200 17911 11474 1 21 . 1 1 46 46 LEU N N 232 120.221 120.221 118.006 2.215 17911 11475 1 21 . 1 1 46 46 LEU HA H 232 4.065 4.065 4.194 -0.129 17911 11476 1 21 . 1 1 46 46 LEU CA C 232 58.152 58.152 58.728 -0.576 17911 11477 1 21 . 1 1 46 46 LEU CB C 232 42.071 42.071 41.294 0.777 17911 11478 1 21 . 1 1 46 46 LEU H H 232 7.516 7.516 8.218 -0.702 17911 11479 1 21 . 1 1 47 47 VAL N N 233 119.649 119.649 120.119 -0.470 17911 11480 1 21 . 1 1 47 47 VAL HA H 233 3.604 3.604 3.589 0.015 17911 11481 1 21 . 1 1 47 47 VAL CA C 233 65.864 65.864 65.615 0.249 17911 11482 1 21 . 1 1 47 47 VAL CB C 233 31.575 31.575 30.688 0.887 17911 11483 1 21 . 1 1 47 47 VAL H H 233 6.987 6.987 7.201 -0.214 17911 11484 1 21 . 1 1 48 48 ALA N N 234 122.056 122.056 122.602 -0.546 17911 11485 1 21 . 1 1 48 48 ALA HA H 234 3.451 3.451 3.799 -0.348 17911 11486 1 21 . 1 1 48 48 ALA CA C 234 55.741 55.741 55.127 0.614 17911 11487 1 21 . 1 1 48 48 ALA CB C 234 16.971 16.971 18.123 -1.152 17911 11488 1 21 . 1 1 48 48 ALA H H 234 8.480 8.480 8.142 0.338 17911 11489 1 21 . 1 1 49 49 MET N N 235 114.180 114.180 117.576 -3.396 17911 11490 1 21 . 1 1 49 49 MET HA H 235 4.272 4.272 4.190 0.082 17911 11491 1 21 . 1 1 49 49 MET CA C 235 59.003 59.003 58.804 0.199 17911 11492 1 21 . 1 1 49 49 MET CB C 235 32.967 32.967 32.507 0.460 17911 11493 1 21 . 1 1 49 49 MET H H 235 7.950 7.950 8.374 -0.424 17911 11494 1 21 . 1 1 50 50 LYS N N 236 120.217 120.217 120.457 -0.240 17911 11495 1 21 . 1 1 50 50 LYS HA H 236 3.945 3.945 3.834 0.111 17911 11496 1 21 . 1 1 50 50 LYS CA C 236 58.378 58.378 58.666 -0.288 17911 11497 1 21 . 1 1 50 50 LYS CB C 236 31.833 31.833 32.240 -0.407 17911 11498 1 21 . 1 1 50 50 LYS H H 236 7.378 7.378 7.969 -0.591 17911 11499 1 21 . 1 1 51 51 TYR N N 237 115.853 115.853 114.832 1.021 17911 11500 1 21 . 1 1 51 51 TYR HA H 237 4.462 4.462 4.651 -0.189 17911 11501 1 21 . 1 1 51 51 TYR CA C 237 58.293 58.293 56.936 1.357 17911 11502 1 21 . 1 1 51 51 TYR CB C 237 38.668 38.668 37.684 0.984 17911 11503 1 21 . 1 1 51 51 TYR H H 237 7.392 7.392 7.300 0.092 17911 11504 1 21 . 1 1 52 52 ASN N N 238 115.965 115.965 115.129 0.836 17911 11505 1 21 . 1 1 52 52 ASN HA H 238 4.403 4.403 4.337 0.066 17911 11506 1 21 . 1 1 52 52 ASN CA C 238 54.834 54.834 54.587 0.246 17911 11507 1 21 . 1 1 52 52 ASN CB C 238 36.881 36.881 37.787 -0.906 17911 11508 1 21 . 1 1 52 52 ASN H H 238 7.914 7.914 7.718 0.196 17911 11509 1 21 . 1 1 53 53 TYR N N 239 120.379 120.379 118.267 2.112 17911 11510 1 21 . 1 1 53 53 TYR HA H 239 4.675 4.675 4.489 0.186 17911 11511 1 21 . 1 1 53 53 TYR CA C 239 57.387 57.387 58.759 -1.372 17911 11512 1 21 . 1 1 53 53 TYR CB C 239 37.788 37.788 38.353 -0.565 17911 11513 1 21 . 1 1 53 53 TYR H H 239 8.341 8.341 8.125 0.216 17911 11514 1 21 . 1 1 54 54 GLU N N 240 122.559 122.559 123.730 -1.171 17911 11515 1 21 . 1 1 54 54 GLU HA H 240 4.317 4.317 4.281 0.036 17911 11516 1 21 . 1 1 54 54 GLU CA C 240 54.579 54.579 56.081 -1.502 17911 11517 1 21 . 1 1 54 54 GLU CB C 240 30.802 30.802 29.629 1.173 17911 11518 1 21 . 1 1 54 54 GLU H H 240 8.114 8.114 8.618 -0.504 17911 11519 1 21 . 1 1 55 55 PRO HA H 241 4.314 4.314 4.404 -0.090 17911 11520 1 21 . 1 1 55 55 PRO CA C 241 62.973 62.973 62.770 0.203 17911 11521 1 21 . 1 1 55 55 PRO CB C 241 31.917 31.917 32.470 -0.553 17911 11522 1 21 . 1 1 56 56 LEU N N 242 124.468 124.468 120.758 3.710 17911 11523 1 21 . 1 1 56 56 LEU HA H 242 5.200 5.200 4.670 0.530 17911 11524 1 21 . 1 1 56 56 LEU CA C 242 53.747 53.747 53.923 -0.176 17911 11525 1 21 . 1 1 56 56 LEU CB C 242 45.560 45.560 46.368 -0.808 17911 11526 1 21 . 1 1 56 56 LEU H H 242 9.650 9.650 9.242 0.408 17911 11527 1 21 . 1 1 57 57 THR N N 243 116.700 116.700 113.263 3.437 17911 11528 1 21 . 1 1 57 57 THR HA H 243 4.664 4.664 4.840 -0.176 17911 11529 1 21 . 1 1 57 57 THR CA C 243 59.429 59.429 59.814 -0.385 17911 11530 1 21 . 1 1 57 57 THR CB C 243 71.851 71.851 71.769 0.082 17911 11531 1 21 . 1 1 57 57 THR H H 243 9.279 9.279 8.480 0.799 17911 11532 1 21 . 1 1 58 58 GLN N N 244 119.764 119.764 121.453 -1.689 17911 11533 1 21 . 1 1 58 58 GLN HA H 244 3.827 3.827 4.030 -0.203 17911 11534 1 21 . 1 1 58 58 GLN CA C 244 58.130 58.130 59.363 -1.233 17911 11535 1 21 . 1 1 58 58 GLN CB C 244 27.777 27.777 28.171 -0.394 17911 11536 1 21 . 1 1 58 58 GLN H H 244 8.959 8.959 8.918 0.041 17911 11537 1 21 . 1 1 59 59 ASP N N 245 117.059 117.059 116.132 0.927 17911 11538 1 21 . 1 1 59 59 ASP HA H 245 4.325 4.325 4.321 0.004 17911 11539 1 21 . 1 1 59 59 ASP CA C 245 57.301 57.301 57.175 0.126 17911 11540 1 21 . 1 1 59 59 ASP CB C 245 40.029 40.029 40.435 -0.406 17911 11541 1 21 . 1 1 59 59 ASP H H 245 7.838 7.838 8.737 -0.899 17911 11542 1 21 . 1 1 60 60 HIS N N 246 119.076 119.076 118.734 0.342 17911 11543 1 21 . 1 1 60 60 HIS HA H 246 4.296 4.296 4.392 -0.096 17911 11544 1 21 . 1 1 60 60 HIS CA C 246 58.645 58.645 59.268 -0.623 17911 11545 1 21 . 1 1 60 60 HIS CB C 246 32.864 32.864 30.104 2.760 17911 11546 1 21 . 1 1 60 60 HIS H H 246 7.333 7.333 7.464 -0.131 17911 11547 1 21 . 1 1 61 61 VAL N N 247 118.215 118.215 120.487 -2.272 17911 11548 1 21 . 1 1 61 61 VAL HA H 247 3.400 3.400 3.559 -0.159 17911 11549 1 21 . 1 1 61 61 VAL CA C 247 67.257 67.257 66.749 0.508 17911 11550 1 21 . 1 1 61 61 VAL CB C 247 31.010 31.010 31.634 -0.624 17911 11551 1 21 . 1 1 61 61 VAL H H 247 7.565 7.565 8.508 -0.943 17911 11552 1 21 . 1 1 62 62 ASP N N 248 119.651 119.651 119.479 0.172 17911 11553 1 21 . 1 1 62 62 ASP HA H 248 4.358 4.358 4.380 -0.022 17911 11554 1 21 . 1 1 62 62 ASP CA C 248 57.557 57.557 57.576 -0.019 17911 11555 1 21 . 1 1 62 62 ASP CB C 248 40.027 40.027 40.606 -0.579 17911 11556 1 21 . 1 1 62 62 ASP H H 248 8.142 8.142 8.432 -0.290 17911 11557 1 21 . 1 1 63 63 ILE N N 249 123.545 123.545 118.606 4.939 17911 11558 1 21 . 1 1 63 63 ILE HA H 249 3.756 3.756 3.844 -0.088 17911 11559 1 21 . 1 1 63 63 ILE CA C 249 64.832 64.832 63.464 1.368 17911 11560 1 21 . 1 1 63 63 ILE CB C 249 37.817 37.817 37.718 0.099 17911 11561 1 21 . 1 1 63 63 ILE H H 249 8.017 8.017 7.364 0.653 17911 11562 1 21 . 1 1 64 64 LEU N N 250 117.125 117.125 117.976 -0.851 17911 11563 1 21 . 1 1 64 64 LEU HA H 250 4.094 4.094 4.205 -0.111 17911 11564 1 21 . 1 1 64 64 LEU CA C 250 55.004 55.004 55.253 -0.249 17911 11565 1 21 . 1 1 64 64 LEU CB C 250 42.662 42.662 41.648 1.014 17911 11566 1 21 . 1 1 64 64 LEU H H 250 7.217 7.217 7.699 -0.482 17911 11567 1 21 . 1 1 65 65 GLY N N 251 108.388 108.388 109.184 -0.796 17911 11568 1 21 . 1 1 65 65 GLY CA C 251 48.708 48.708 48.591 0.117 17911 11569 1 21 . 1 1 65 65 GLY H H 251 7.794 7.794 8.225 -0.431 17911 11570 1 21 . 1 1 66 66 PRO HA H 252 4.243 4.243 4.329 -0.086 17911 11571 1 21 . 1 1 66 66 PRO CA C 252 66.036 66.036 64.411 1.625 17911 11572 1 21 . 1 1 66 66 PRO CB C 252 32.172 32.172 31.335 0.837 17911 11573 1 21 . 1 1 67 67 LEU N N 253 117.852 117.852 115.637 2.215 17911 11574 1 21 . 1 1 67 67 LEU HA H 253 3.866 3.866 4.496 -0.630 17911 11575 1 21 . 1 1 67 67 LEU CA C 253 57.301 57.301 55.279 2.022 17911 11576 1 21 . 1 1 67 67 LEU CB C 253 40.539 40.539 43.152 -2.613 17911 11577 1 21 . 1 1 67 67 LEU H H 253 7.344 7.344 7.612 -0.268 17911 11578 1 21 . 1 1 68 68 SER N N 254 117.191 117.191 116.880 0.311 17911 11579 1 21 . 1 1 68 68 SER HA H 254 4.154 4.154 4.260 -0.106 17911 11580 1 21 . 1 1 68 68 SER CA C 254 60.705 60.705 61.275 -0.570 17911 11581 1 21 . 1 1 68 68 SER CB C 254 63.286 63.286 63.164 0.122 17911 11582 1 21 . 1 1 68 68 SER H H 254 7.883 7.883 8.111 -0.229 17911 11583 1 21 . 1 1 69 69 ALA N N 255 123.895 123.895 122.094 1.801 17911 11584 1 21 . 1 1 69 69 ALA HA H 255 4.078 4.078 4.134 -0.056 17911 11585 1 21 . 1 1 69 69 ALA CA C 255 54.749 54.749 54.234 0.515 17911 11586 1 21 . 1 1 69 69 ALA CB C 255 17.992 17.992 18.355 -0.363 17911 11587 1 21 . 1 1 69 69 ALA H H 255 8.592 8.592 7.816 0.776 17911 11588 1 21 . 1 1 70 70 GLN N N 256 116.528 116.528 113.902 2.626 17911 11589 1 21 . 1 1 70 70 GLN HA H 256 4.011 4.011 4.382 -0.371 17911 11590 1 21 . 1 1 70 70 GLN CA C 256 58.634 58.634 56.133 2.501 17911 11591 1 21 . 1 1 70 70 GLN CB C 256 28.939 28.939 30.025 -1.086 17911 11592 1 21 . 1 1 70 70 GLN H H 256 7.744 7.744 7.433 0.311 17911 11593 1 21 . 1 1 71 71 THR N N 257 103.056 103.056 108.988 -5.932 17911 11594 1 21 . 1 1 71 71 THR HA H 257 4.277 4.277 4.540 -0.263 17911 11595 1 21 . 1 1 71 71 THR CA C 257 62.236 62.236 61.775 0.461 17911 11596 1 21 . 1 1 71 71 THR CB C 257 72.277 72.277 72.149 0.128 17911 11597 1 21 . 1 1 71 71 THR H H 257 7.401 7.401 7.714 -0.313 17911 11598 1 21 . 1 1 72 72 GLY N N 258 111.697 111.697 111.272 0.425 17911 11599 1 21 . 1 1 72 72 GLY CA C 258 45.900 45.900 45.582 0.318 17911 11600 1 21 . 1 1 72 72 GLY H H 258 8.113 8.113 8.418 -0.305 17911 11601 1 21 . 1 1 73 73 ILE N N 259 120.078 120.078 124.329 -4.251 17911 11602 1 21 . 1 1 73 73 ILE HA H 259 4.451 4.451 4.208 0.243 17911 11603 1 21 . 1 1 73 73 ILE CA C 259 58.903 58.903 59.239 -0.336 17911 11604 1 21 . 1 1 73 73 ILE CB C 259 38.497 38.497 36.086 2.412 17911 11605 1 21 . 1 1 73 73 ILE H H 259 7.598 7.598 7.525 0.073 17911 11606 1 21 . 1 1 74 74 ALA N N 260 107.454 107.454 131.695 -24.241 17911 11607 1 21 . 1 1 74 74 ALA HA H 260 4.178 4.178 4.318 -0.140 17911 11608 1 21 . 1 1 74 74 ALA CA C 260 52.622 52.622 52.478 0.144 17911 11609 1 21 . 1 1 74 74 ALA CB C 260 18.417 18.417 19.564 -1.147 17911 11610 1 21 . 1 1 74 74 ALA H H 260 9.477 9.477 8.470 1.007 17911 11611 1 21 . 1 1 75 75 VAL N N 261 124.569 124.569 121.946 2.623 17911 11612 1 21 . 1 1 75 75 VAL HA H 261 4.095 4.095 3.897 0.198 17911 11613 1 21 . 1 1 75 75 VAL CA C 261 66.637 66.637 65.442 1.195 17911 11614 1 21 . 1 1 75 75 VAL CB C 261 31.575 31.575 31.639 -0.063 17911 11615 1 21 . 1 1 75 75 VAL H H 261 8.927 8.927 8.746 0.181 17911 11616 1 21 . 1 1 76 76 LEU N N 262 117.285 117.285 118.549 -1.264 17911 11617 1 21 . 1 1 76 76 LEU HA H 262 3.827 3.827 3.963 -0.136 17911 11618 1 21 . 1 1 76 76 LEU CA C 262 58.067 58.067 57.406 0.662 17911 11619 1 21 . 1 1 76 76 LEU CB C 262 39.774 39.774 40.891 -1.117 17911 11620 1 21 . 1 1 76 76 LEU H H 262 8.949 8.949 8.146 0.803 17911 11621 1 21 . 1 1 77 77 ASP N N 263 120.854 120.854 120.781 0.073 17911 11622 1 21 . 1 1 77 77 ASP HA H 263 4.639 4.639 4.636 0.003 17911 11623 1 21 . 1 1 77 77 ASP CA C 263 57.131 57.131 57.172 -0.041 17911 11624 1 21 . 1 1 77 77 ASP CB C 263 39.178 39.178 40.868 -1.690 17911 11625 1 21 . 1 1 77 77 ASP H H 263 7.011 7.011 7.898 -0.887 17911 11626 1 21 . 1 1 78 78 MET N N 264 124.661 124.661 120.899 3.762 17911 11627 1 21 . 1 1 78 78 MET HA H 264 4.343 4.343 4.117 0.226 17911 11628 1 21 . 1 1 78 78 MET CA C 264 57.131 57.131 57.805 -0.674 17911 11629 1 21 . 1 1 78 78 MET CB C 264 31.172 31.172 31.869 -0.697 17911 11630 1 21 . 1 1 78 78 MET H H 264 8.025 8.025 8.151 -0.126 17911 11631 1 21 . 1 1 79 79 CYS N N 265 117.740 117.740 118.320 -0.580 17911 11632 1 21 . 1 1 79 79 CYS HA H 265 3.534 3.534 3.666 -0.132 17911 11633 1 21 . 1 1 79 79 CYS CA C 265 64.317 64.317 63.712 0.605 17911 11634 1 21 . 1 1 79 79 CYS CB C 265 25.564 25.564 25.995 -0.431 17911 11635 1 21 . 1 1 79 79 CYS H H 265 8.703 8.703 8.546 0.157 17911 11636 1 21 . 1 1 80 80 ALA N N 266 123.346 123.346 121.582 1.764 17911 11637 1 21 . 1 1 80 80 ALA HA H 266 3.884 3.884 4.018 -0.134 17911 11638 1 21 . 1 1 80 80 ALA CA C 266 55.174 55.174 55.017 0.156 17911 11639 1 21 . 1 1 80 80 ALA CB C 266 17.911 17.911 18.011 -0.100 17911 11640 1 21 . 1 1 80 80 ALA H H 266 7.745 7.745 7.832 -0.087 17911 11641 1 21 . 1 1 81 81 ALA N N 267 122.668 122.668 122.422 0.246 17911 11642 1 21 . 1 1 81 81 ALA HA H 267 4.236 4.236 4.242 -0.006 17911 11643 1 21 . 1 1 81 81 ALA CA C 267 54.778 54.778 54.732 0.046 17911 11644 1 21 . 1 1 81 81 ALA CB C 267 18.247 18.247 18.695 -0.448 17911 11645 1 21 . 1 1 81 81 ALA H H 267 7.513 7.513 8.101 -0.588 17911 11646 1 21 . 1 1 82 82 LEU N N 268 119.844 119.844 120.842 -0.998 17911 11647 1 21 . 1 1 82 82 LEU HA H 268 3.924 3.924 3.878 0.046 17911 11648 1 21 . 1 1 82 82 LEU CA C 268 57.613 57.613 58.201 -0.588 17911 11649 1 21 . 1 1 82 82 LEU CB C 268 40.681 40.681 41.983 -1.302 17911 11650 1 21 . 1 1 82 82 LEU H H 268 8.304 8.304 8.561 -0.257 17911 11651 1 21 . 1 1 83 83 LYS N N 269 119.140 119.140 119.320 -0.180 17911 11652 1 21 . 1 1 83 83 LYS HA H 269 3.629 3.629 3.891 -0.262 17911 11653 1 21 . 1 1 83 83 LYS CA C 269 60.279 60.279 60.264 0.015 17911 11654 1 21 . 1 1 83 83 LYS CB C 269 33.052 33.052 32.449 0.603 17911 11655 1 21 . 1 1 83 83 LYS H H 269 8.881 8.881 8.708 0.173 17911 11656 1 21 . 1 1 84 84 GLU N N 270 116.647 116.647 120.189 -3.542 17911 11657 1 21 . 1 1 84 84 GLU HA H 270 4.085 4.085 4.134 -0.049 17911 11658 1 21 . 1 1 84 84 GLU CA C 270 58.903 58.903 59.221 -0.318 17911 11659 1 21 . 1 1 84 84 GLU CB C 270 29.223 29.223 29.390 -0.167 17911 11660 1 21 . 1 1 84 84 GLU H H 270 7.107 7.107 7.851 -0.744 17911 11661 1 21 . 1 1 85 85 LEU N N 271 120.657 120.657 120.250 0.407 17911 11662 1 21 . 1 1 85 85 LEU HA H 271 3.992 3.992 4.094 -0.102 17911 11663 1 21 . 1 1 85 85 LEU CA C 271 57.872 57.872 57.869 0.003 17911 11664 1 21 . 1 1 85 85 LEU CB C 271 42.326 42.326 41.889 0.437 17911 11665 1 21 . 1 1 85 85 LEU H H 271 7.757 7.757 8.335 -0.578 17911 11666 1 21 . 1 1 86 86 LEU N N 272 119.651 119.651 119.531 0.120 17911 11667 1 21 . 1 1 86 86 LEU HA H 272 3.535 3.535 3.592 -0.057 17911 11668 1 21 . 1 1 86 86 LEU CA C 272 57.356 57.356 57.249 0.106 17911 11669 1 21 . 1 1 86 86 LEU CB C 272 40.880 40.880 41.464 -0.584 17911 11670 1 21 . 1 1 86 86 LEU H H 272 8.336 8.336 8.408 -0.072 17911 11671 1 21 . 1 1 87 87 GLN N N 273 113.087 113.087 116.651 -3.564 17911 11672 1 21 . 1 1 87 87 GLN HA H 273 4.099 4.099 4.111 -0.012 17911 11673 1 21 . 1 1 87 87 GLN CA C 273 58.387 58.387 58.056 0.331 17911 11674 1 21 . 1 1 87 87 GLN CB C 273 30.159 30.159 29.702 0.457 17911 11675 1 21 . 1 1 87 87 GLN H H 273 7.422 7.422 8.066 -0.644 17911 11676 1 21 . 1 1 88 88 ASN N N 274 113.925 113.925 113.564 0.361 17911 11677 1 21 . 1 1 88 88 ASN HA H 274 4.921 4.921 4.948 -0.027 17911 11678 1 21 . 1 1 88 88 ASN CA C 274 53.747 53.747 52.989 0.758 17911 11679 1 21 . 1 1 88 88 ASN CB C 274 40.625 40.625 40.948 -0.323 17911 11680 1 21 . 1 1 88 88 ASN H H 274 8.388 8.388 8.405 -0.017 17911 11681 1 21 . 1 1 89 89 GLY N N 275 109.040 109.040 109.421 -0.381 17911 11682 1 21 . 1 1 89 89 GLY CA C 275 44.709 44.709 45.462 -0.753 17911 11683 1 21 . 1 1 89 89 GLY H H 275 7.698 7.698 7.958 -0.260 17911 11684 1 21 . 1 1 90 90 MET N N 276 115.183 115.183 116.398 -1.215 17911 11685 1 21 . 1 1 90 90 MET HA H 276 4.434 4.434 4.609 -0.175 17911 11686 1 21 . 1 1 90 90 MET CA C 276 56.791 56.791 54.590 2.201 17911 11687 1 21 . 1 1 90 90 MET CB C 276 33.637 33.637 33.211 0.426 17911 11688 1 21 . 1 1 90 90 MET H H 276 8.599 8.599 8.369 0.230 17911 11689 1 21 . 1 1 91 91 ASN N N 277 118.020 118.020 121.560 -3.540 17911 11690 1 21 . 1 1 91 91 ASN HA H 277 4.301 4.301 4.444 -0.143 17911 11691 1 21 . 1 1 91 91 ASN CA C 277 53.983 53.983 54.862 -0.879 17911 11692 1 21 . 1 1 91 91 ASN CB C 277 37.987 37.987 38.392 -0.404 17911 11693 1 21 . 1 1 91 91 ASN H H 277 9.033 9.033 8.297 0.736 17911 11694 1 21 . 1 1 92 92 GLY N N 278 104.906 104.906 111.046 -6.140 17911 11695 1 21 . 1 1 92 92 GLY CA C 278 45.645 45.645 45.083 0.562 17911 11696 1 21 . 1 1 92 92 GLY H H 278 8.538 8.538 8.703 -0.165 17911 11697 1 21 . 1 1 93 93 ARG N N 279 120.056 120.056 119.320 0.736 17911 11698 1 21 . 1 1 93 93 ARG HA H 279 4.237 4.237 4.643 -0.406 17911 11699 1 21 . 1 1 93 93 ARG CA C 279 55.344 55.344 54.310 1.034 17911 11700 1 21 . 1 1 93 93 ARG CB C 279 31.491 31.491 33.252 -1.761 17911 11701 1 21 . 1 1 93 93 ARG H H 279 7.257 7.257 7.724 -0.467 17911 11702 1 21 . 1 1 94 94 THR N N 280 106.223 106.223 111.932 -5.709 17911 11703 1 21 . 1 1 94 94 THR HA H 280 5.028 5.028 5.372 -0.344 17911 11704 1 21 . 1 1 94 94 THR CA C 280 59.684 59.684 60.994 -1.310 17911 11705 1 21 . 1 1 94 94 THR CB C 280 72.787 72.787 71.887 0.900 17911 11706 1 21 . 1 1 94 94 THR H H 280 7.726 7.726 8.313 -0.587 17911 11707 1 21 . 1 1 95 95 ILE N N 281 121.214 121.214 120.628 0.586 17911 11708 1 21 . 1 1 95 95 ILE HA H 281 4.301 4.301 4.630 -0.329 17911 11709 1 21 . 1 1 95 95 ILE CA C 281 62.066 62.066 60.923 1.143 17911 11710 1 21 . 1 1 95 95 ILE CB C 281 40.539 40.539 41.494 -0.955 17911 11711 1 21 . 1 1 95 95 ILE H H 281 8.761 8.761 9.004 -0.243 17911 11712 1 21 . 1 1 96 96 LEU N N 282 128.347 128.347 125.948 2.399 17911 11713 1 21 . 1 1 96 96 LEU HA H 282 3.850 3.850 3.872 -0.022 17911 11714 1 21 . 1 1 96 96 LEU CA C 282 55.344 55.344 55.709 -0.365 17911 11715 1 21 . 1 1 96 96 LEU CB C 282 40.539 40.539 39.587 0.952 17911 11716 1 21 . 1 1 96 96 LEU H H 282 9.905 9.905 9.379 0.526 17911 11717 1 21 . 1 1 97 97 GLY N N 283 103.322 103.322 103.433 -0.111 17911 11718 1 21 . 1 1 97 97 GLY CA C 283 45.645 45.645 44.746 0.899 17911 11719 1 21 . 1 1 97 97 GLY H H 283 8.937 8.937 8.434 0.503 17911 11720 1 21 . 1 1 98 98 SER N N 284 116.619 116.619 115.623 0.996 17911 11721 1 21 . 1 1 98 98 SER HA H 284 4.950 4.950 4.995 -0.045 17911 11722 1 21 . 1 1 98 98 SER CA C 284 56.961 56.961 55.946 1.015 17911 11723 1 21 . 1 1 98 98 SER CB C 284 65.044 65.044 64.734 0.310 17911 11724 1 21 . 1 1 98 98 SER H H 284 8.612 8.612 8.085 0.527 17911 11725 1 21 . 1 1 99 99 THR N N 285 114.513 114.513 117.560 -3.047 17911 11726 1 21 . 1 1 99 99 THR HA H 285 4.598 4.598 4.586 0.012 17911 11727 1 21 . 1 1 99 99 THR CA C 285 61.739 61.739 62.910 -1.171 17911 11728 1 21 . 1 1 99 99 THR CB C 285 69.214 69.214 68.789 0.425 17911 11729 1 21 . 1 1 99 99 THR H H 285 8.601 8.601 8.737 -0.136 17911 11730 1 21 . 1 1 100 100 ILE N N 286 117.511 117.511 114.932 2.579 17911 11731 1 21 . 1 1 100 100 ILE HA H 286 4.496 4.496 4.694 -0.198 17911 11732 1 21 . 1 1 100 100 ILE CA C 286 59.173 59.173 59.158 0.015 17911 11733 1 21 . 1 1 100 100 ILE CB C 286 41.887 41.887 40.575 1.312 17911 11734 1 21 . 1 1 100 100 ILE H H 286 7.931 7.931 7.453 0.478 17911 11735 1 21 . 1 1 101 101 LEU N N 287 121.101 121.101 116.446 4.655 17911 11736 1 21 . 1 1 101 101 LEU HA H 287 4.157 4.157 4.436 -0.279 17911 11737 1 21 . 1 1 101 101 LEU CA C 287 54.520 54.520 53.324 1.196 17911 11738 1 21 . 1 1 101 101 LEU CB C 287 40.083 40.083 44.410 -4.327 17911 11739 1 21 . 1 1 101 101 LEU H H 287 8.025 8.025 8.143 -0.118 17911 11740 1 21 . 1 1 102 102 GLU HA H 288 3.720 3.720 4.259 -0.539 17911 11741 1 21 . 1 1 102 102 GLU CA C 288 55.770 55.770 54.422 1.347 17911 11742 1 21 . 1 1 102 102 GLU CB C 288 29.904 29.904 33.007 -3.103 17911 11743 1 21 . 1 1 103 103 ASP N N 289 121.287 121.287 118.577 2.710 17911 11744 1 21 . 1 1 103 103 ASP HA H 289 4.513 4.513 4.695 -0.182 17911 11745 1 21 . 1 1 103 103 ASP CA C 289 52.281 52.281 53.625 -1.344 17911 11746 1 21 . 1 1 103 103 ASP CB C 289 42.922 42.922 41.259 1.663 17911 11747 1 21 . 1 1 103 103 ASP H H 289 8.014 8.014 8.496 -0.482 17911 11748 1 21 . 1 1 104 104 GLU N N 290 118.245 118.245 120.180 -1.935 17911 11749 1 21 . 1 1 104 104 GLU HA H 290 3.904 3.904 4.011 -0.107 17911 11750 1 21 . 1 1 104 104 GLU CA C 290 57.614 57.614 58.065 -0.451 17911 11751 1 21 . 1 1 104 104 GLU CB C 290 30.499 30.499 29.749 0.750 17911 11752 1 21 . 1 1 104 104 GLU H H 290 7.432 7.432 8.521 -1.089 17911 11753 1 21 . 1 1 105 105 PHE N N 291 120.606 120.606 118.729 1.877 17911 11754 1 21 . 1 1 105 105 PHE HA H 291 4.838 4.838 4.731 0.107 17911 11755 1 21 . 1 1 105 105 PHE CA C 291 56.536 56.536 57.124 -0.589 17911 11756 1 21 . 1 1 105 105 PHE CB C 291 39.774 39.774 38.973 0.801 17911 11757 1 21 . 1 1 105 105 PHE H H 291 8.835 8.835 7.859 0.976 17911 11758 1 21 . 1 1 106 106 THR N N 292 111.349 111.349 118.932 -7.583 17911 11759 1 21 . 1 1 106 106 THR HA H 292 4.670 4.670 4.817 -0.147 17911 11760 1 21 . 1 1 106 106 THR CA C 292 59.344 59.344 60.194 -0.850 17911 11761 1 21 . 1 1 106 106 THR CB C 292 69.299 69.299 70.185 -0.886 17911 11762 1 21 . 1 1 106 106 THR H H 292 8.757 8.757 8.548 0.209 17911 11763 1 21 . 1 1 107 107 PRO HA H 293 3.988 3.988 4.497 -0.509 17911 11764 1 21 . 1 1 107 107 PRO CA C 293 65.606 65.606 64.661 0.945 17911 11765 1 21 . 1 1 107 107 PRO CB C 293 31.321 31.321 31.414 -0.093 17911 11766 1 21 . 1 1 108 108 PHE N N 294 114.627 114.627 119.811 -5.184 17911 11767 1 21 . 1 1 108 108 PHE HA H 294 4.201 4.201 4.347 -0.146 17911 11768 1 21 . 1 1 108 108 PHE CA C 294 59.676 59.676 60.299 -0.623 17911 11769 1 21 . 1 1 108 108 PHE CB C 294 38.582 38.582 39.117 -0.535 17911 11770 1 21 . 1 1 108 108 PHE H H 294 7.310 7.310 8.167 -0.857 17911 11771 1 21 . 1 1 109 109 ASP N N 295 120.210 120.210 119.271 0.939 17911 11772 1 21 . 1 1 109 109 ASP HA H 295 4.404 4.404 4.441 -0.037 17911 11773 1 21 . 1 1 109 109 ASP CA C 295 57.098 57.098 56.043 1.055 17911 11774 1 21 . 1 1 109 109 ASP CB C 295 41.475 41.475 41.691 -0.216 17911 11775 1 21 . 1 1 109 109 ASP H H 295 7.837 7.837 7.664 0.173 17911 11776 1 21 . 1 1 110 110 VAL N N 296 119.070 119.070 119.070 0.000 17911 11777 1 21 . 1 1 110 110 VAL HA H 296 3.602 3.602 3.652 -0.050 17911 11778 1 21 . 1 1 110 110 VAL CA C 296 66.491 66.491 62.384 4.107 17911 11779 1 21 . 1 1 110 110 VAL CB C 296 31.605 31.605 30.062 1.543 17911 11780 1 21 . 1 1 110 110 VAL H H 296 7.945 7.945 7.836 0.109 17911 11781 1 21 . 1 1 111 111 VAL N N 297 119.540 119.540 114.883 4.657 17911 11782 1 21 . 1 1 111 111 VAL HA H 297 3.601 3.601 3.810 -0.209 17911 11783 1 21 . 1 1 111 111 VAL CA C 297 66.379 66.379 64.222 2.156 17911 11784 1 21 . 1 1 111 111 VAL CB C 297 31.605 31.605 31.909 -0.304 17911 11785 1 21 . 1 1 111 111 VAL H H 297 8.109 8.109 8.365 -0.256 17911 11786 1 21 . 1 1 112 112 ARG N N 298 119.680 119.680 118.321 1.359 17911 11787 1 21 . 1 1 112 112 ARG HA H 298 4.010 4.010 4.571 -0.561 17911 11788 1 21 . 1 1 112 112 ARG CA C 298 58.634 58.634 54.660 3.974 17911 11789 1 21 . 1 1 112 112 ARG CB C 298 30.028 30.028 32.422 -2.394 17911 11790 1 21 . 1 1 112 112 ARG H H 298 7.710 7.710 7.403 0.307 17911 11791 1 21 . 1 1 113 113 GLN N N 299 117.786 117.786 122.301 -4.515 17911 11792 1 21 . 1 1 113 113 GLN HA H 299 4.158 4.158 3.919 0.239 17911 11793 1 21 . 1 1 113 113 GLN CA C 299 57.557 57.557 58.753 -1.196 17911 11794 1 21 . 1 1 113 113 GLN CB C 299 29.308 29.308 28.528 0.780 17911 11795 1 21 . 1 1 113 113 GLN H H 299 8.033 8.033 8.952 -0.919 17911 11796 1 21 . 1 1 114 114 CYS N N 300 115.786 115.786 117.948 -2.162 17911 11797 1 21 . 1 1 114 114 CYS HA H 300 4.470 4.470 4.205 0.265 17911 11798 1 21 . 1 1 114 114 CYS CA C 300 59.934 59.934 61.038 -1.104 17911 11799 1 21 . 1 1 114 114 CYS CB C 300 28.293 28.293 26.328 1.965 17911 11800 1 21 . 1 1 114 114 CYS H H 300 8.071 8.071 8.361 -0.290 17911 11801 1 21 . 1 1 115 115 SER N N 301 116.258 116.258 112.912 3.346 17911 11802 1 21 . 1 1 115 115 SER HA H 301 4.407 4.407 4.629 -0.222 17911 11803 1 21 . 1 1 115 115 SER CA C 301 59.485 59.485 58.642 0.843 17911 11804 1 21 . 1 1 115 115 SER CB C 301 63.286 63.286 64.946 -1.660 17911 11805 1 21 . 1 1 115 115 SER H H 301 7.883 7.883 7.603 0.280 17911 11806 1 21 . 1 1 116 116 GLY N N 302 110.709 110.709 108.821 1.888 17911 11807 1 21 . 1 1 116 116 GLY CA C 302 45.239 45.239 45.247 -0.008 17911 11808 1 21 . 1 1 116 116 GLY H H 302 8.355 8.355 7.968 0.387 17911 11809 1 21 . 1 1 117 117 VAL N N 303 119.189 119.189 116.430 2.759 17911 11810 1 21 . 1 1 117 117 VAL HA H 303 4.057 4.057 3.913 0.144 17911 11811 1 21 . 1 1 117 117 VAL CA C 303 62.236 62.236 64.577 -2.341 17911 11812 1 21 . 1 1 117 117 VAL CB C 303 32.626 32.626 31.102 1.524 17911 11813 1 21 . 1 1 117 117 VAL H H 303 7.710 7.710 7.456 0.254 17911 11814 1 21 . 1 1 118 118 THR N N 304 118.009 118.009 110.602 7.407 17911 11815 1 21 . 1 1 118 118 THR HA H 304 4.279 4.279 4.193 0.086 17911 11816 1 21 . 1 1 118 118 THR CA C 304 61.556 61.556 63.362 -1.806 17911 11817 1 21 . 1 1 118 118 THR CB C 304 69.894 69.894 69.129 0.765 17911 11818 1 21 . 1 1 118 118 THR H H 304 8.109 8.109 7.763 0.346 17911 11819 1 21 . 1 1 119 119 PHE N N 305 123.287 123.287 117.389 5.898 17911 11820 1 21 . 1 1 119 119 PHE HA H 305 4.605 4.605 4.918 -0.313 17911 11821 1 21 . 1 1 119 119 PHE CA C 305 57.727 57.727 56.779 0.948 17911 11822 1 21 . 1 1 119 119 PHE CB C 305 39.859 39.859 39.719 0.140 17911 11823 1 21 . 1 1 119 119 PHE H H 305 8.298 8.298 7.612 0.686 17911 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 112 3.413 -0.091 3.427 17911 2 1 1 "Average Difference" HA 125 0.273 0.011 0.274 17911 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17911 4 1 1 "Average Difference" CA 118 1.126 0.047 1.130 17911 5 1 1 "Average Difference" CB 110 1.195 -0.110 1.196 17911 6 1 1 "Average Difference" HN 113 0.468 0.021 0.469 17911 7 1 2 "Average Difference" N 112 3.763 0.330 3.765 17911 8 1 2 "Average Difference" HA 125 0.279 0.014 0.279 17911 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17911 10 1 2 "Average Difference" CA 118 1.070 -0.075 1.072 17911 11 1 2 "Average Difference" CB 110 1.267 -0.128 1.266 17911 12 1 2 "Average Difference" HN 113 0.522 0.014 0.524 17911 13 1 3 "Average Difference" N 112 3.809 -0.186 3.821 17911 14 1 3 "Average Difference" HA 125 0.301 0.023 0.301 17911 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17911 16 1 3 "Average Difference" CA 118 1.124 -0.048 1.127 17911 17 1 3 "Average Difference" CB 110 1.177 -0.043 1.181 17911 18 1 3 "Average Difference" HN 113 0.549 -0.003 0.551 17911 19 1 4 "Average Difference" N 112 3.699 -0.145 3.713 17911 20 1 4 "Average Difference" HA 125 0.271 0.053 0.267 17911 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17911 22 1 4 "Average Difference" CA 118 1.252 -0.109 1.252 17911 23 1 4 "Average Difference" CB 110 1.102 0.137 1.098 17911 24 1 4 "Average Difference" HN 113 0.495 0.039 0.496 17911 25 1 5 "Average Difference" N 112 3.501 -0.290 3.505 17911 26 1 5 "Average Difference" HA 125 0.265 0.040 0.263 17911 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17911 28 1 5 "Average Difference" CA 118 0.988 0.055 0.991 17911 29 1 5 "Average Difference" CB 110 1.025 -0.031 1.029 17911 30 1 5 "Average Difference" HN 113 0.474 -0.016 0.476 17911 31 1 6 "Average Difference" N 112 3.579 0.040 3.595 17911 32 1 6 "Average Difference" HA 125 0.307 0.039 0.306 17911 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17911 34 1 6 "Average Difference" CA 118 1.376 -0.087 1.379 17911 35 1 6 "Average Difference" CB 110 1.285 0.062 1.289 17911 36 1 6 "Average Difference" HN 113 0.561 0.077 0.558 17911 37 1 7 "Average Difference" N 112 3.423 -0.174 3.434 17911 38 1 7 "Average Difference" HA 125 0.333 0.049 0.330 17911 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17911 40 1 7 "Average Difference" CA 118 1.172 -0.202 1.159 17911 41 1 7 "Average Difference" CB 110 1.222 0.164 1.216 17911 42 1 7 "Average Difference" HN 113 0.485 0.080 0.480 17911 43 1 8 "Average Difference" N 112 3.356 -0.083 3.370 17911 44 1 8 "Average Difference" HA 125 0.285 0.013 0.286 17911 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17911 46 1 8 "Average Difference" CA 118 1.259 -0.051 1.263 17911 47 1 8 "Average Difference" CB 110 1.187 -0.086 1.190 17911 48 1 8 "Average Difference" HN 113 0.494 0.019 0.496 17911 49 1 9 "Average Difference" N 112 3.616 -0.270 3.622 17911 50 1 9 "Average Difference" HA 125 0.272 0.019 0.272 17911 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17911 52 1 9 "Average Difference" CA 118 1.065 -0.013 1.069 17911 53 1 9 "Average Difference" CB 110 1.177 -0.117 1.176 17911 54 1 9 "Average Difference" HN 113 0.566 0.027 0.568 17911 55 1 10 "Average Difference" N 112 3.606 -0.158 3.619 17911 56 1 10 "Average Difference" HA 125 0.274 0.024 0.274 17911 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17911 58 1 10 "Average Difference" CA 118 1.172 -0.034 1.176 17911 59 1 10 "Average Difference" CB 110 1.143 -0.028 1.148 17911 60 1 10 "Average Difference" HN 113 0.502 0.027 0.503 17911 61 1 11 "Average Difference" N 112 3.550 -0.049 3.565 17911 62 1 11 "Average Difference" HA 125 0.351 0.023 0.352 17911 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17911 64 1 11 "Average Difference" CA 118 1.277 -0.011 1.283 17911 65 1 11 "Average Difference" CB 110 1.168 -0.009 1.173 17911 66 1 11 "Average Difference" HN 113 0.476 0.057 0.475 17911 67 1 12 "Average Difference" N 112 3.372 -0.384 3.365 17911 68 1 12 "Average Difference" HA 125 0.262 0.049 0.259 17911 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17911 70 1 12 "Average Difference" CA 118 1.081 -0.089 1.082 17911 71 1 12 "Average Difference" CB 110 1.056 -0.024 1.060 17911 72 1 12 "Average Difference" HN 113 0.486 0.030 0.487 17911 73 1 13 "Average Difference" N 112 3.520 -0.183 3.531 17911 74 1 13 "Average Difference" HA 125 0.271 0.015 0.272 17911 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17911 76 1 13 "Average Difference" CA 118 1.133 -0.015 1.138 17911 77 1 13 "Average Difference" CB 110 1.100 -0.042 1.104 17911 78 1 13 "Average Difference" HN 113 0.473 0.022 0.474 17911 79 1 14 "Average Difference" N 112 3.347 -0.373 3.341 17911 80 1 14 "Average Difference" HA 125 0.290 0.019 0.291 17911 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17911 82 1 14 "Average Difference" CA 118 1.184 -0.041 1.188 17911 83 1 14 "Average Difference" CB 110 1.198 0.001 1.204 17911 84 1 14 "Average Difference" HN 113 0.466 0.019 0.468 17911 85 1 15 "Average Difference" N 112 3.391 -0.138 3.403 17911 86 1 15 "Average Difference" HA 125 0.264 0.032 0.263 17911 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17911 88 1 15 "Average Difference" CA 118 1.298 -0.028 1.303 17911 89 1 15 "Average Difference" CB 110 1.076 0.032 1.080 17911 90 1 15 "Average Difference" HN 113 0.470 0.030 0.471 17911 91 1 16 "Average Difference" N 112 3.697 0.004 3.713 17911 92 1 16 "Average Difference" HA 125 0.264 0.013 0.265 17911 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 17911 94 1 16 "Average Difference" CA 118 1.051 0.065 1.054 17911 95 1 16 "Average Difference" CB 110 1.049 -0.075 1.051 17911 96 1 16 "Average Difference" HN 113 0.512 0.024 0.513 17911 97 1 17 "Average Difference" N 112 3.475 -0.133 3.488 17911 98 1 17 "Average Difference" HA 125 0.286 0.029 0.285 17911 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 17911 100 1 17 "Average Difference" CA 118 1.237 -0.023 1.242 17911 101 1 17 "Average Difference" CB 110 1.151 0.003 1.156 17911 102 1 17 "Average Difference" HN 113 0.493 0.041 0.493 17911 103 1 18 "Average Difference" N 112 3.602 -0.085 3.617 17911 104 1 18 "Average Difference" HA 125 0.264 0.042 0.262 17911 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 17911 106 1 18 "Average Difference" CA 118 1.207 -0.116 1.207 17911 107 1 18 "Average Difference" CB 110 0.965 0.070 0.966 17911 108 1 18 "Average Difference" HN 113 0.503 0.016 0.505 17911 109 1 19 "Average Difference" N 112 3.621 -0.248 3.629 17911 110 1 19 "Average Difference" HA 125 0.313 0.018 0.314 17911 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 17911 112 1 19 "Average Difference" CA 118 1.269 -0.037 1.274 17911 113 1 19 "Average Difference" CB 110 1.170 0.016 1.175 17911 114 1 19 "Average Difference" HN 113 0.459 0.066 0.456 17911 115 1 20 "Average Difference" N 112 3.755 -0.432 3.746 17911 116 1 20 "Average Difference" HA 125 0.280 0.021 0.280 17911 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 17911 118 1 20 "Average Difference" CA 118 1.056 -0.046 1.060 17911 119 1 20 "Average Difference" CB 110 1.216 -0.041 1.221 17911 120 1 20 "Average Difference" HN 113 0.502 0.010 0.505 17911 121 1 21 "Average Difference" N 112 3.661 -0.193 3.673 17911 122 1 21 "Average Difference" HA 125 0.282 0.042 0.280 17911 123 1 21 "Average Difference" C 0 0.000 0.000 0.000 17911 124 1 21 "Average Difference" CA 118 1.115 -0.080 1.117 17911 125 1 21 "Average Difference" CB 110 1.210 0.036 1.215 17911 126 1 21 "Average Difference" HN 113 0.460 0.024 0.462 17911 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 17911 _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 2 2 ARG N N 188 121.886 121.886 121.550 0.336 17911 2 1 . 1 1 2 2 ARG HA H 188 4.242 4.242 4.062 0.180 17911 3 1 . 1 1 2 2 ARG CA C 188 56.487 56.487 58.285 -1.798 17911 4 1 . 1 1 2 2 ARG CB C 188 30.857 30.857 30.141 0.716 17911 5 1 . 1 1 2 2 ARG H H 188 8.475 8.475 8.611 -0.136 17911 6 1 . 1 1 3 3 GLN N N 189 121.336 121.336 117.612 3.724 17911 7 1 . 1 1 3 3 GLN HA H 189 4.302 4.302 4.193 0.109 17911 8 1 . 1 1 3 3 GLN CA C 189 56.366 56.366 57.734 -1.367 17911 9 1 . 1 1 3 3 GLN CB C 189 29.254 29.254 28.696 0.558 17911 10 1 . 1 1 3 3 GLN H H 189 8.553 8.553 8.422 0.131 17911 11 1 . 1 1 4 4 THR N N 190 115.273 115.273 110.077 5.196 17911 12 1 . 1 1 4 4 THR HA H 190 4.275 4.275 4.349 -0.074 17911 13 1 . 1 1 4 4 THR CA C 190 62.066 62.066 62.451 -0.385 17911 14 1 . 1 1 4 4 THR CB C 190 69.894 69.894 69.424 0.470 17911 15 1 . 1 1 4 4 THR H H 190 8.123 8.123 7.883 0.240 17911 16 1 . 1 1 5 5 ALA N N 191 126.029 126.029 124.322 1.707 17911 17 1 . 1 1 5 5 ALA HA H 191 4.247 4.247 4.285 -0.038 17911 18 1 . 1 1 5 5 ALA CA C 191 52.537 52.537 53.042 -0.505 17911 19 1 . 1 1 5 5 ALA CB C 191 19.183 19.183 19.480 -0.297 17911 20 1 . 1 1 5 5 ALA H H 191 8.284 8.284 7.904 0.380 17911 21 1 . 1 1 6 6 GLN N N 192 119.614 119.614 118.010 1.604 17911 22 1 . 1 1 6 6 GLN HA H 192 4.217 4.217 4.341 -0.124 17911 23 1 . 1 1 6 6 GLN CA C 192 55.685 55.685 55.770 -0.085 17911 24 1 . 1 1 6 6 GLN CB C 192 29.513 29.513 29.578 -0.065 17911 25 1 . 1 1 6 6 GLN H H 192 8.287 8.287 8.174 0.113 17911 26 1 . 1 1 7 7 ALA N N 193 125.571 125.571 122.607 2.964 17911 27 1 . 1 1 7 7 ALA HA H 193 4.246 4.246 4.376 -0.130 17911 28 1 . 1 1 7 7 ALA CA C 193 52.537 52.537 52.828 -0.291 17911 29 1 . 1 1 7 7 ALA CB C 193 19.268 19.268 19.431 -0.163 17911 30 1 . 1 1 7 7 ALA H H 193 8.271 8.271 8.305 -0.034 17911 31 1 . 1 1 8 8 ALA N N 194 123.461 123.461 120.821 2.640 17911 32 1 . 1 1 8 8 ALA HA H 194 4.250 4.250 4.283 -0.033 17911 33 1 . 1 1 8 8 ALA CA C 194 52.593 52.593 52.972 -0.379 17911 34 1 . 1 1 8 8 ALA CB C 194 19.324 19.324 19.042 0.282 17911 35 1 . 1 1 8 8 ALA H H 194 8.275 8.275 8.138 0.137 17911 36 1 . 1 1 9 9 GLY N N 195 108.312 108.312 107.055 1.257 17911 37 1 . 1 1 9 9 GLY CA C 195 45.219 45.219 46.046 -0.827 17911 38 1 . 1 1 9 9 GLY H H 195 8.328 8.328 8.425 -0.097 17911 39 1 . 1 1 10 10 THR N N 196 112.710 112.710 112.342 0.368 17911 40 1 . 1 1 10 10 THR HA H 196 4.334 4.334 4.283 0.051 17911 41 1 . 1 1 10 10 THR CA C 196 61.471 61.471 62.574 -1.103 17911 42 1 . 1 1 10 10 THR CB C 196 69.894 69.894 69.456 0.438 17911 43 1 . 1 1 10 10 THR H H 196 7.998 7.998 7.796 0.202 17911 44 1 . 1 1 11 11 ASP N N 197 122.862 122.862 121.427 1.435 17911 45 1 . 1 1 11 11 ASP HA H 197 4.609 4.609 4.558 0.051 17911 46 1 . 1 1 11 11 ASP CA C 197 54.262 54.262 54.697 -0.434 17911 47 1 . 1 1 11 11 ASP CB C 197 41.135 41.135 41.308 -0.173 17911 48 1 . 1 1 11 11 ASP H H 197 8.404 8.404 8.189 0.215 17911 49 1 . 1 1 12 12 THR N N 198 114.709 114.709 111.533 3.176 17911 50 1 . 1 1 12 12 THR HA H 198 4.400 4.400 4.412 -0.012 17911 51 1 . 1 1 12 12 THR CA C 198 61.223 61.223 62.144 -0.921 17911 52 1 . 1 1 12 12 THR CB C 198 70.490 70.490 69.624 0.867 17911 53 1 . 1 1 12 12 THR H H 198 7.895 7.895 7.764 0.131 17911 54 1 . 1 1 13 13 THR N N 199 122.785 122.785 118.382 4.403 17911 55 1 . 1 1 13 13 THR HA H 199 3.961 3.961 4.351 -0.390 17911 56 1 . 1 1 13 13 THR CA C 199 63.286 63.286 62.708 0.578 17911 57 1 . 1 1 13 13 THR CB C 199 68.958 68.958 69.737 -0.779 17911 58 1 . 1 1 13 13 THR H H 199 8.354 8.354 8.208 0.146 17911 59 1 . 1 1 14 14 ILE N N 200 127.902 127.902 129.480 -1.578 17911 60 1 . 1 1 14 14 ILE HA H 200 3.807 3.807 4.204 -0.397 17911 61 1 . 1 1 14 14 ILE CA C 200 60.965 60.965 61.260 -0.295 17911 62 1 . 1 1 14 14 ILE CB C 200 35.860 35.860 35.679 0.181 17911 63 1 . 1 1 14 14 ILE H H 200 9.362 9.362 9.230 0.132 17911 64 1 . 1 1 15 15 THR N N 201 130.379 130.379 123.252 7.127 17911 65 1 . 1 1 15 15 THR HA H 201 3.521 3.521 4.047 -0.526 17911 66 1 . 1 1 15 15 THR CA C 201 66.637 66.637 66.994 -0.357 17911 67 1 . 1 1 15 15 THR CB C 201 67.411 67.411 68.622 -1.211 17911 68 1 . 1 1 15 15 THR H H 201 7.834 7.834 8.163 -0.329 17911 69 1 . 1 1 16 16 LEU N N 202 120.049 120.049 121.138 -1.089 17911 70 1 . 1 1 16 16 LEU HA H 202 3.715 3.715 4.090 -0.375 17911 71 1 . 1 1 16 16 LEU CA C 202 58.387 58.387 58.645 -0.258 17911 72 1 . 1 1 16 16 LEU CB C 202 43.148 43.148 41.535 1.613 17911 73 1 . 1 1 16 16 LEU H H 202 8.913 8.913 8.520 0.393 17911 74 1 . 1 1 17 17 ASN N N 203 117.390 117.390 117.557 -0.167 17911 75 1 . 1 1 17 17 ASN HA H 203 4.594 4.594 4.743 -0.149 17911 76 1 . 1 1 17 17 ASN CA C 203 54.520 54.520 55.790 -1.270 17911 77 1 . 1 1 17 17 ASN CB C 203 37.246 37.246 38.126 -0.880 17911 78 1 . 1 1 17 17 ASN H H 203 6.926 6.926 7.999 -1.073 17911 79 1 . 1 1 18 18 VAL N N 204 123.434 123.434 122.434 1.000 17911 80 1 . 1 1 18 18 VAL HA H 204 4.242 4.242 4.039 0.203 17911 81 1 . 1 1 18 18 VAL CA C 204 66.236 66.236 66.611 -0.375 17911 82 1 . 1 1 18 18 VAL CB C 204 31.605 31.605 31.722 -0.117 17911 83 1 . 1 1 18 18 VAL H H 204 7.660 7.660 7.842 -0.182 17911 84 1 . 1 1 19 19 LEU N N 205 117.301 117.301 120.239 -2.938 17911 85 1 . 1 1 19 19 LEU HA H 205 3.945 3.945 3.905 0.040 17911 86 1 . 1 1 19 19 LEU CA C 205 58.408 58.408 58.355 0.053 17911 87 1 . 1 1 19 19 LEU CB C 205 42.918 42.918 41.164 1.753 17911 88 1 . 1 1 19 19 LEU H H 205 8.573 8.573 8.617 -0.044 17911 89 1 . 1 1 20 20 ALA N N 206 120.290 120.290 122.060 -1.770 17911 90 1 . 1 1 20 20 ALA HA H 206 4.012 4.012 4.218 -0.206 17911 91 1 . 1 1 20 20 ALA CA C 206 56.195 56.195 55.309 0.886 17911 92 1 . 1 1 20 20 ALA CB C 206 17.911 17.911 18.252 -0.341 17911 93 1 . 1 1 20 20 ALA H H 206 8.188 8.188 8.360 -0.172 17911 94 1 . 1 1 21 21 TRP N N 207 121.219 121.219 120.859 0.360 17911 95 1 . 1 1 21 21 TRP HA H 207 4.110 4.110 4.209 -0.099 17911 96 1 . 1 1 21 21 TRP CA C 207 61.224 61.224 62.087 -0.863 17911 97 1 . 1 1 21 21 TRP CB C 207 28.712 28.712 29.464 -0.752 17911 98 1 . 1 1 21 21 TRP H H 207 8.406 8.406 8.457 -0.051 17911 99 1 . 1 1 22 22 LEU HA H 208 3.517 3.517 3.651 -0.134 17911 100 1 . 1 1 22 22 LEU CA C 208 57.897 57.897 57.988 -0.091 17911 101 1 . 1 1 22 22 LEU CB C 208 40.880 40.880 41.250 -0.370 17911 102 1 . 1 1 22 22 LEU H H 208 8.620 8.620 8.755 -0.135 17911 103 1 . 1 1 23 23 TYR N N 209 117.656 117.656 119.086 -1.430 17911 104 1 . 1 1 23 23 TYR HA H 209 3.956 3.956 4.091 -0.135 17911 105 1 . 1 1 23 23 TYR CA C 209 64.704 64.704 61.917 2.787 17911 106 1 . 1 1 23 23 TYR CB C 209 38.793 38.793 37.523 1.270 17911 107 1 . 1 1 23 23 TYR H H 209 8.368 8.368 8.509 -0.141 17911 108 1 . 1 1 24 24 ALA N N 210 122.658 122.658 121.374 1.284 17911 109 1 . 1 1 24 24 ALA HA H 210 3.837 3.837 3.822 0.015 17911 110 1 . 1 1 24 24 ALA CA C 210 55.036 55.036 54.846 0.190 17911 111 1 . 1 1 24 24 ALA CB C 210 17.311 17.311 17.745 -0.434 17911 112 1 . 1 1 24 24 ALA H H 210 8.461 8.461 8.326 0.135 17911 113 1 . 1 1 25 25 ALA N N 211 123.868 123.868 121.672 2.196 17911 114 1 . 1 1 25 25 ALA HA H 211 3.761 3.761 3.750 0.011 17911 115 1 . 1 1 25 25 ALA CA C 211 55.551 55.551 54.749 0.802 17911 116 1 . 1 1 25 25 ALA CB C 211 17.992 17.992 18.144 -0.152 17911 117 1 . 1 1 25 25 ALA H H 211 8.564 8.564 7.781 0.783 17911 118 1 . 1 1 26 26 VAL N N 212 119.783 119.783 119.213 0.570 17911 119 1 . 1 1 26 26 VAL HA H 212 3.487 3.487 3.568 -0.081 17911 120 1 . 1 1 26 26 VAL CA C 212 66.576 66.576 66.505 0.071 17911 121 1 . 1 1 26 26 VAL CB C 212 31.575 31.575 31.487 0.088 17911 122 1 . 1 1 26 26 VAL H H 212 8.008 8.008 8.058 -0.050 17911 123 1 . 1 1 27 27 ILE N N 213 124.428 124.428 117.939 6.489 17911 124 1 . 1 1 27 27 ILE HA H 213 3.559 3.559 3.680 -0.121 17911 125 1 . 1 1 27 27 ILE CA C 213 65.526 65.526 64.500 1.026 17911 126 1 . 1 1 27 27 ILE CB C 213 37.902 37.902 37.755 0.147 17911 127 1 . 1 1 27 27 ILE H H 213 8.576 8.576 8.257 0.319 17911 128 1 . 1 1 28 28 ASN N N 214 116.563 116.563 115.895 0.668 17911 129 1 . 1 1 28 28 ASN HA H 214 4.565 4.565 4.539 0.026 17911 130 1 . 1 1 28 28 ASN CA C 214 54.579 54.579 54.836 -0.257 17911 131 1 . 1 1 28 28 ASN CB C 214 40.340 40.340 40.148 0.192 17911 132 1 . 1 1 28 28 ASN H H 214 7.714 7.714 8.028 -0.314 17911 133 1 . 1 1 29 29 GLY N N 215 107.004 107.004 106.639 0.365 17911 134 1 . 1 1 29 29 GLY CA C 215 45.683 45.683 45.007 0.676 17911 135 1 . 1 1 29 29 GLY H H 215 7.861 7.861 8.310 -0.449 17911 136 1 . 1 1 30 30 ASP N N 216 125.780 125.780 124.304 1.476 17911 137 1 . 1 1 30 30 ASP HA H 216 5.019 5.019 4.587 0.432 17911 138 1 . 1 1 30 30 ASP CA C 216 53.643 53.643 55.119 -1.476 17911 139 1 . 1 1 30 30 ASP CB C 216 41.561 41.561 40.307 1.254 17911 140 1 . 1 1 30 30 ASP H H 216 8.560 8.560 8.014 0.546 17911 141 1 . 1 1 31 31 ARG N N 217 115.297 115.297 120.280 -4.983 17911 142 1 . 1 1 31 31 ARG HA H 217 3.711 3.711 3.136 0.575 17911 143 1 . 1 1 31 31 ARG CA C 217 54.520 54.520 55.452 -0.932 17911 144 1 . 1 1 31 31 ARG CB C 217 32.116 32.116 30.163 1.953 17911 145 1 . 1 1 31 31 ARG H H 217 7.984 7.984 7.636 0.348 17911 146 1 . 1 1 32 32 TRP N N 218 119.754 119.754 119.900 -0.146 17911 147 1 . 1 1 32 32 TRP HA H 218 4.120 4.120 4.290 -0.170 17911 148 1 . 1 1 32 32 TRP CA C 218 58.387 58.387 57.910 0.477 17911 149 1 . 1 1 32 32 TRP CB C 218 28.372 28.372 28.273 0.099 17911 150 1 . 1 1 32 32 TRP H H 218 7.368 7.368 7.234 0.134 17911 151 1 . 1 1 33 33 PHE HA H 219 3.919 3.919 4.603 -0.684 17911 152 1 . 1 1 33 33 PHE CA C 219 55.315 55.315 56.382 -1.067 17911 153 1 . 1 1 33 33 PHE CB C 219 37.277 37.277 37.592 -0.315 17911 154 1 . 1 1 34 34 LEU N N 220 122.632 122.632 122.033 0.599 17911 155 1 . 1 1 34 34 LEU HA H 220 3.931 3.931 4.079 -0.148 17911 156 1 . 1 1 34 34 LEU CA C 220 55.315 55.315 54.966 0.348 17911 157 1 . 1 1 34 34 LEU CB C 220 40.790 40.790 41.274 -0.484 17911 158 1 . 1 1 34 34 LEU H H 220 6.447 6.447 7.139 -0.692 17911 159 1 . 1 1 35 35 ASN N N 221 119.503 119.503 120.531 -1.028 17911 160 1 . 1 1 35 35 ASN HA H 221 4.709 4.709 4.648 0.061 17911 161 1 . 1 1 35 35 ASN CA C 221 52.026 52.026 52.409 -0.383 17911 162 1 . 1 1 35 35 ASN CB C 221 40.598 40.598 39.898 0.700 17911 163 1 . 1 1 35 35 ASN H H 221 8.105 8.105 8.305 -0.200 17911 164 1 . 1 1 36 36 ARG N N 222 116.408 116.408 117.128 -0.720 17911 165 1 . 1 1 36 36 ARG HA H 222 4.293 4.293 4.217 0.076 17911 166 1 . 1 1 36 36 ARG CA C 222 55.600 55.600 56.405 -0.805 17911 167 1 . 1 1 36 36 ARG CB C 222 28.997 28.997 29.061 -0.064 17911 168 1 . 1 1 36 36 ARG H H 222 8.099 8.099 8.238 -0.139 17911 169 1 . 1 1 37 37 PHE N N 223 120.398 120.398 118.779 1.619 17911 170 1 . 1 1 37 37 PHE HA H 223 4.813 4.813 4.695 0.118 17911 171 1 . 1 1 37 37 PHE CA C 223 56.081 56.081 56.637 -0.556 17911 172 1 . 1 1 37 37 PHE CB C 223 40.085 40.085 40.556 -0.471 17911 173 1 . 1 1 37 37 PHE H H 223 7.842 7.842 7.758 0.084 17911 174 1 . 1 1 38 38 THR N N 224 112.040 112.040 112.429 -0.389 17911 175 1 . 1 1 38 38 THR HA H 224 4.653 4.653 4.578 0.075 17911 176 1 . 1 1 38 38 THR CA C 224 60.708 60.708 61.537 -0.829 17911 177 1 . 1 1 38 38 THR CB C 224 71.000 71.000 69.981 1.019 17911 178 1 . 1 1 38 38 THR H H 224 8.231 8.231 8.357 -0.126 17911 179 1 . 1 1 39 39 THR N N 225 116.627 116.627 115.311 1.316 17911 180 1 . 1 1 39 39 THR HA H 225 4.925 4.925 4.580 0.345 17911 181 1 . 1 1 39 39 THR CA C 225 59.677 59.677 60.569 -0.892 17911 182 1 . 1 1 39 39 THR CB C 225 69.989 69.989 70.604 -0.615 17911 183 1 . 1 1 39 39 THR H H 225 8.107 8.107 8.108 -0.001 17911 184 1 . 1 1 40 40 THR N N 226 111.263 111.263 116.325 -5.062 17911 185 1 . 1 1 40 40 THR HA H 226 4.727 4.727 4.473 0.254 17911 186 1 . 1 1 40 40 THR CA C 226 59.740 59.740 61.334 -1.594 17911 187 1 . 1 1 40 40 THR CB C 226 72.052 72.052 70.235 1.817 17911 188 1 . 1 1 40 40 THR H H 226 8.481 8.481 8.239 0.242 17911 189 1 . 1 1 41 41 LEU N N 227 123.989 123.989 124.740 -0.751 17911 190 1 . 1 1 41 41 LEU HA H 227 3.986 3.986 4.170 -0.184 17911 191 1 . 1 1 41 41 LEU CA C 227 58.903 58.903 58.283 0.620 17911 192 1 . 1 1 41 41 LEU CB C 227 41.561 41.561 42.038 -0.477 17911 193 1 . 1 1 41 41 LEU H H 227 9.259 9.259 8.810 0.449 17911 194 1 . 1 1 42 42 ASN N N 228 115.183 115.183 117.070 -1.887 17911 195 1 . 1 1 42 42 ASN HA H 228 4.435 4.435 4.416 0.019 17911 196 1 . 1 1 42 42 ASN CA C 228 56.961 56.961 57.389 -0.428 17911 197 1 . 1 1 42 42 ASN CB C 228 38.497 38.497 38.111 0.387 17911 198 1 . 1 1 42 42 ASN H H 228 8.598 8.598 8.486 0.112 17911 199 1 . 1 1 43 43 ASP N N 229 118.746 118.746 120.289 -1.543 17911 200 1 . 1 1 43 43 ASP HA H 229 4.367 4.367 4.439 -0.072 17911 201 1 . 1 1 43 43 ASP CA C 229 57.387 57.387 57.186 0.201 17911 202 1 . 1 1 43 43 ASP CB C 229 40.625 40.625 40.935 -0.310 17911 203 1 . 1 1 43 43 ASP H H 229 7.847 7.847 7.933 -0.086 17911 204 1 . 1 1 44 44 PHE N N 230 120.193 120.193 121.019 -0.826 17911 205 1 . 1 1 44 44 PHE HA H 230 3.808 3.808 4.102 -0.294 17911 206 1 . 1 1 44 44 PHE CA C 230 62.747 62.747 61.734 1.013 17911 207 1 . 1 1 44 44 PHE CB C 230 38.753 38.753 39.198 -0.445 17911 208 1 . 1 1 44 44 PHE H H 230 8.547 8.547 8.375 0.172 17911 209 1 . 1 1 45 45 ASN N N 231 118.852 118.852 118.347 0.505 17911 210 1 . 1 1 45 45 ASN HA H 231 4.472 4.472 4.237 0.235 17911 211 1 . 1 1 45 45 ASN CA C 231 55.344 55.344 56.153 -0.809 17911 212 1 . 1 1 45 45 ASN CB C 231 37.391 37.391 38.092 -0.701 17911 213 1 . 1 1 45 45 ASN H H 231 8.727 8.727 8.525 0.202 17911 214 1 . 1 1 46 46 LEU N N 232 120.221 120.221 120.502 -0.281 17911 215 1 . 1 1 46 46 LEU HA H 232 4.065 4.065 4.010 0.055 17911 216 1 . 1 1 46 46 LEU CA C 232 58.152 58.152 58.234 -0.082 17911 217 1 . 1 1 46 46 LEU CB C 232 42.071 42.071 41.739 0.332 17911 218 1 . 1 1 46 46 LEU H H 232 7.516 7.516 8.382 -0.866 17911 219 1 . 1 1 47 47 VAL N N 233 119.649 119.649 118.909 0.740 17911 220 1 . 1 1 47 47 VAL HA H 233 3.604 3.604 3.551 0.053 17911 221 1 . 1 1 47 47 VAL CA C 233 65.864 65.864 66.108 -0.244 17911 222 1 . 1 1 47 47 VAL CB C 233 31.575 31.575 31.100 0.475 17911 223 1 . 1 1 47 47 VAL H H 233 6.987 6.987 7.886 -0.899 17911 224 1 . 1 1 48 48 ALA N N 234 122.056 122.056 122.374 -0.318 17911 225 1 . 1 1 48 48 ALA HA H 234 3.451 3.451 3.834 -0.383 17911 226 1 . 1 1 48 48 ALA CA C 234 55.741 55.741 55.109 0.632 17911 227 1 . 1 1 48 48 ALA CB C 234 16.971 16.971 18.113 -1.142 17911 228 1 . 1 1 48 48 ALA H H 234 8.480 8.480 8.125 0.355 17911 229 1 . 1 1 49 49 MET N N 235 114.180 114.180 117.961 -3.781 17911 230 1 . 1 1 49 49 MET HA H 235 4.272 4.272 4.125 0.147 17911 231 1 . 1 1 49 49 MET CA C 235 59.003 59.003 58.977 0.026 17911 232 1 . 1 1 49 49 MET CB C 235 32.967 32.967 32.553 0.414 17911 233 1 . 1 1 49 49 MET H H 235 7.950 7.950 8.326 -0.376 17911 234 1 . 1 1 50 50 LYS N N 236 120.217 120.217 120.081 0.136 17911 235 1 . 1 1 50 50 LYS HA H 236 3.945 3.945 3.850 0.095 17911 236 1 . 1 1 50 50 LYS CA C 236 58.378 58.378 58.607 -0.229 17911 237 1 . 1 1 50 50 LYS CB C 236 31.833 31.833 32.341 -0.507 17911 238 1 . 1 1 50 50 LYS H H 236 7.378 7.378 7.952 -0.574 17911 239 1 . 1 1 51 51 TYR N N 237 115.853 115.853 115.304 0.549 17911 240 1 . 1 1 51 51 TYR HA H 237 4.462 4.462 4.675 -0.213 17911 241 1 . 1 1 51 51 TYR CA C 237 58.293 58.293 56.859 1.434 17911 242 1 . 1 1 51 51 TYR CB C 237 38.668 38.668 37.879 0.789 17911 243 1 . 1 1 51 51 TYR H H 237 7.392 7.392 7.400 -0.008 17911 244 1 . 1 1 52 52 ASN N N 238 115.965 115.965 115.501 0.464 17911 245 1 . 1 1 52 52 ASN HA H 238 4.403 4.403 4.356 0.047 17911 246 1 . 1 1 52 52 ASN CA C 238 54.834 54.834 54.498 0.336 17911 247 1 . 1 1 52 52 ASN CB C 238 36.881 36.881 37.360 -0.479 17911 248 1 . 1 1 52 52 ASN H H 238 7.914 7.914 7.806 0.108 17911 249 1 . 1 1 53 53 TYR N N 239 120.379 120.379 118.345 2.034 17911 250 1 . 1 1 53 53 TYR HA H 239 4.675 4.675 4.719 -0.044 17911 251 1 . 1 1 53 53 TYR CA C 239 57.387 57.387 57.742 -0.355 17911 252 1 . 1 1 53 53 TYR CB C 239 37.788 37.788 39.304 -1.516 17911 253 1 . 1 1 53 53 TYR H H 239 8.341 8.341 8.232 0.109 17911 254 1 . 1 1 54 54 GLU N N 240 122.559 122.559 122.899 -0.340 17911 255 1 . 1 1 54 54 GLU HA H 240 4.317 4.317 4.328 -0.011 17911 256 1 . 1 1 54 54 GLU CA C 240 54.579 54.579 55.703 -1.124 17911 257 1 . 1 1 54 54 GLU CB C 240 30.802 30.802 29.745 1.057 17911 258 1 . 1 1 54 54 GLU H H 240 8.114 8.114 8.658 -0.544 17911 259 1 . 1 1 55 55 PRO HA H 241 4.314 4.314 4.430 -0.116 17911 260 1 . 1 1 55 55 PRO CA C 241 62.973 62.973 62.734 0.239 17911 261 1 . 1 1 55 55 PRO CB C 241 31.917 31.917 32.445 -0.528 17911 262 1 . 1 1 56 56 LEU N N 242 124.468 124.468 121.385 3.083 17911 263 1 . 1 1 56 56 LEU HA H 242 5.200 5.200 4.685 0.515 17911 264 1 . 1 1 56 56 LEU CA C 242 53.747 53.747 54.059 -0.312 17911 265 1 . 1 1 56 56 LEU CB C 242 45.560 45.560 46.136 -0.576 17911 266 1 . 1 1 56 56 LEU H H 242 9.650 9.650 9.192 0.458 17911 267 1 . 1 1 57 57 THR N N 243 116.700 116.700 113.622 3.078 17911 268 1 . 1 1 57 57 THR HA H 243 4.664 4.664 4.815 -0.151 17911 269 1 . 1 1 57 57 THR CA C 243 59.429 59.429 59.955 -0.526 17911 270 1 . 1 1 57 57 THR CB C 243 71.851 71.851 71.823 0.028 17911 271 1 . 1 1 57 57 THR H H 243 9.279 9.279 8.542 0.737 17911 272 1 . 1 1 58 58 GLN N N 244 119.764 119.764 121.233 -1.469 17911 273 1 . 1 1 58 58 GLN HA H 244 3.827 3.827 4.046 -0.219 17911 274 1 . 1 1 58 58 GLN CA C 244 58.130 58.130 59.528 -1.398 17911 275 1 . 1 1 58 58 GLN CB C 244 27.777 27.777 28.235 -0.458 17911 276 1 . 1 1 58 58 GLN H H 244 8.959 8.959 8.950 0.009 17911 277 1 . 1 1 59 59 ASP N N 245 117.059 117.059 117.217 -0.158 17911 278 1 . 1 1 59 59 ASP HA H 245 4.325 4.325 4.346 -0.021 17911 279 1 . 1 1 59 59 ASP CA C 245 57.301 57.301 57.067 0.234 17911 280 1 . 1 1 59 59 ASP CB C 245 40.029 40.029 40.424 -0.395 17911 281 1 . 1 1 59 59 ASP H H 245 7.838 7.838 8.808 -0.970 17911 282 1 . 1 1 60 60 HIS N N 246 119.076 119.076 118.806 0.270 17911 283 1 . 1 1 60 60 HIS HA H 246 4.296 4.296 4.442 -0.146 17911 284 1 . 1 1 60 60 HIS CA C 246 58.645 58.645 59.066 -0.421 17911 285 1 . 1 1 60 60 HIS CB C 246 32.864 32.864 30.114 2.750 17911 286 1 . 1 1 60 60 HIS H H 246 7.333 7.333 7.491 -0.158 17911 287 1 . 1 1 61 61 VAL N N 247 118.215 118.215 120.142 -1.927 17911 288 1 . 1 1 61 61 VAL HA H 247 3.400 3.400 3.656 -0.256 17911 289 1 . 1 1 61 61 VAL CA C 247 67.257 67.257 66.708 0.549 17911 290 1 . 1 1 61 61 VAL CB C 247 31.010 31.010 31.569 -0.559 17911 291 1 . 1 1 61 61 VAL H H 247 7.565 7.565 8.458 -0.893 17911 292 1 . 1 1 62 62 ASP N N 248 119.651 119.651 119.969 -0.318 17911 293 1 . 1 1 62 62 ASP HA H 248 4.358 4.358 4.353 0.005 17911 294 1 . 1 1 62 62 ASP CA C 248 57.557 57.557 57.419 0.137 17911 295 1 . 1 1 62 62 ASP CB C 248 40.027 40.027 40.933 -0.905 17911 296 1 . 1 1 62 62 ASP H H 248 8.142 8.142 8.257 -0.115 17911 297 1 . 1 1 63 63 ILE N N 249 123.545 123.545 118.901 4.644 17911 298 1 . 1 1 63 63 ILE HA H 249 3.756 3.756 3.849 -0.093 17911 299 1 . 1 1 63 63 ILE CA C 249 64.832 64.832 64.020 0.812 17911 300 1 . 1 1 63 63 ILE CB C 249 37.817 37.817 38.011 -0.194 17911 301 1 . 1 1 63 63 ILE H H 249 8.017 8.017 7.467 0.550 17911 302 1 . 1 1 64 64 LEU N N 250 117.125 117.125 118.014 -0.889 17911 303 1 . 1 1 64 64 LEU HA H 250 4.094 4.094 4.240 -0.146 17911 304 1 . 1 1 64 64 LEU CA C 250 55.004 55.004 55.445 -0.441 17911 305 1 . 1 1 64 64 LEU CB C 250 42.662 42.662 41.348 1.314 17911 306 1 . 1 1 64 64 LEU H H 250 7.217 7.217 7.755 -0.538 17911 307 1 . 1 1 65 65 GLY N N 251 108.388 108.388 108.976 -0.588 17911 308 1 . 1 1 65 65 GLY CA C 251 48.708 48.708 48.383 0.325 17911 309 1 . 1 1 65 65 GLY H H 251 7.794 7.794 8.101 -0.307 17911 310 1 . 1 1 66 66 PRO HA H 252 4.243 4.243 4.098 0.145 17911 311 1 . 1 1 66 66 PRO CA C 252 66.036 66.036 65.164 0.872 17911 312 1 . 1 1 66 66 PRO CB C 252 32.172 32.172 31.167 1.005 17911 313 1 . 1 1 67 67 LEU N N 253 117.852 117.852 116.876 0.976 17911 314 1 . 1 1 67 67 LEU HA H 253 3.866 3.866 3.999 -0.133 17911 315 1 . 1 1 67 67 LEU CA C 253 57.301 57.301 56.738 0.563 17911 316 1 . 1 1 67 67 LEU CB C 253 40.539 40.539 41.494 -0.955 17911 317 1 . 1 1 67 67 LEU H H 253 7.344 7.344 7.501 -0.157 17911 318 1 . 1 1 68 68 SER N N 254 117.191 117.191 115.774 1.417 17911 319 1 . 1 1 68 68 SER HA H 254 4.154 4.154 4.220 -0.066 17911 320 1 . 1 1 68 68 SER CA C 254 60.705 60.705 61.159 -0.454 17911 321 1 . 1 1 68 68 SER CB C 254 63.286 63.286 63.004 0.282 17911 322 1 . 1 1 68 68 SER H H 254 7.883 7.883 8.018 -0.135 17911 323 1 . 1 1 69 69 ALA N N 255 123.895 123.895 123.945 -0.050 17911 324 1 . 1 1 69 69 ALA HA H 255 4.078 4.078 4.131 -0.053 17911 325 1 . 1 1 69 69 ALA CA C 255 54.749 54.749 54.497 0.252 17911 326 1 . 1 1 69 69 ALA CB C 255 17.992 17.992 18.224 -0.232 17911 327 1 . 1 1 69 69 ALA H H 255 8.592 8.592 7.845 0.747 17911 328 1 . 1 1 70 70 GLN N N 256 116.528 116.528 115.542 0.986 17911 329 1 . 1 1 70 70 GLN HA H 256 4.011 4.011 4.173 -0.162 17911 330 1 . 1 1 70 70 GLN CA C 256 58.634 58.634 57.684 0.950 17911 331 1 . 1 1 70 70 GLN CB C 256 28.939 28.939 29.168 -0.229 17911 332 1 . 1 1 70 70 GLN H H 256 7.744 7.744 7.931 -0.187 17911 333 1 . 1 1 71 71 THR N N 257 103.056 103.056 107.237 -4.181 17911 334 1 . 1 1 71 71 THR HA H 257 4.277 4.277 4.519 -0.242 17911 335 1 . 1 1 71 71 THR CA C 257 62.236 62.236 61.804 0.432 17911 336 1 . 1 1 71 71 THR CB C 257 72.277 72.277 71.204 1.073 17911 337 1 . 1 1 71 71 THR H H 257 7.401 7.401 7.677 -0.276 17911 338 1 . 1 1 72 72 GLY N N 258 111.697 111.697 111.335 0.362 17911 339 1 . 1 1 72 72 GLY CA C 258 45.900 45.900 45.656 0.244 17911 340 1 . 1 1 72 72 GLY H H 258 8.113 8.113 8.274 -0.161 17911 341 1 . 1 1 73 73 ILE N N 259 120.078 120.078 123.322 -3.244 17911 342 1 . 1 1 73 73 ILE HA H 259 4.451 4.451 4.250 0.201 17911 343 1 . 1 1 73 73 ILE CA C 259 58.903 58.903 59.527 -0.624 17911 344 1 . 1 1 73 73 ILE CB C 259 38.497 38.497 37.340 1.157 17911 345 1 . 1 1 73 73 ILE H H 259 7.598 7.598 7.609 -0.011 17911 346 1 . 1 1 74 74 ALA N N 260 107.454 107.454 131.412 -23.958 17911 347 1 . 1 1 74 74 ALA HA H 260 4.178 4.178 4.281 -0.103 17911 348 1 . 1 1 74 74 ALA CA C 260 52.622 52.622 52.512 0.110 17911 349 1 . 1 1 74 74 ALA CB C 260 18.417 18.417 19.527 -1.110 17911 350 1 . 1 1 74 74 ALA H H 260 9.477 9.477 8.608 0.869 17911 351 1 . 1 1 75 75 VAL N N 261 124.569 124.569 122.488 2.081 17911 352 1 . 1 1 75 75 VAL HA H 261 4.095 4.095 3.868 0.227 17911 353 1 . 1 1 75 75 VAL CA C 261 66.637 66.637 65.709 0.928 17911 354 1 . 1 1 75 75 VAL CB C 261 31.575 31.575 31.691 -0.116 17911 355 1 . 1 1 75 75 VAL H H 261 8.927 8.927 8.766 0.161 17911 356 1 . 1 1 76 76 LEU N N 262 117.285 117.285 118.567 -1.282 17911 357 1 . 1 1 76 76 LEU HA H 262 3.827 3.827 3.978 -0.151 17911 358 1 . 1 1 76 76 LEU CA C 262 58.067 58.067 57.280 0.787 17911 359 1 . 1 1 76 76 LEU CB C 262 39.774 39.774 40.900 -1.126 17911 360 1 . 1 1 76 76 LEU H H 262 8.949 8.949 8.077 0.872 17911 361 1 . 1 1 77 77 ASP N N 263 120.854 120.854 121.124 -0.270 17911 362 1 . 1 1 77 77 ASP HA H 263 4.639 4.639 4.601 0.038 17911 363 1 . 1 1 77 77 ASP CA C 263 57.131 57.131 57.059 0.072 17911 364 1 . 1 1 77 77 ASP CB C 263 39.178 39.178 40.917 -1.739 17911 365 1 . 1 1 77 77 ASP H H 263 7.011 7.011 7.925 -0.914 17911 366 1 . 1 1 78 78 MET N N 264 124.661 124.661 120.783 3.878 17911 367 1 . 1 1 78 78 MET HA H 264 4.343 4.343 4.100 0.243 17911 368 1 . 1 1 78 78 MET CA C 264 57.131 57.131 57.726 -0.595 17911 369 1 . 1 1 78 78 MET CB C 264 31.172 31.172 31.866 -0.694 17911 370 1 . 1 1 78 78 MET H H 264 8.025 8.025 8.018 0.007 17911 371 1 . 1 1 79 79 CYS N N 265 117.740 117.740 118.292 -0.552 17911 372 1 . 1 1 79 79 CYS HA H 265 3.534 3.534 3.682 -0.148 17911 373 1 . 1 1 79 79 CYS CA C 265 64.317 64.317 63.621 0.696 17911 374 1 . 1 1 79 79 CYS CB C 265 25.564 25.564 26.042 -0.478 17911 375 1 . 1 1 79 79 CYS H H 265 8.703 8.703 8.518 0.185 17911 376 1 . 1 1 80 80 ALA N N 266 123.346 123.346 121.912 1.434 17911 377 1 . 1 1 80 80 ALA HA H 266 3.884 3.884 4.064 -0.180 17911 378 1 . 1 1 80 80 ALA CA C 266 55.174 55.174 55.056 0.118 17911 379 1 . 1 1 80 80 ALA CB C 266 17.911 17.911 18.051 -0.140 17911 380 1 . 1 1 80 80 ALA H H 266 7.745 7.745 7.930 -0.185 17911 381 1 . 1 1 81 81 ALA N N 267 122.668 122.668 122.530 0.138 17911 382 1 . 1 1 81 81 ALA HA H 267 4.236 4.236 4.201 0.035 17911 383 1 . 1 1 81 81 ALA CA C 267 54.778 54.778 54.867 -0.089 17911 384 1 . 1 1 81 81 ALA CB C 267 18.247 18.247 18.628 -0.381 17911 385 1 . 1 1 81 81 ALA H H 267 7.513 7.513 8.142 -0.629 17911 386 1 . 1 1 82 82 LEU N N 268 119.844 119.844 120.564 -0.720 17911 387 1 . 1 1 82 82 LEU HA H 268 3.924 3.924 3.947 -0.023 17911 388 1 . 1 1 82 82 LEU CA C 268 57.613 57.613 57.714 -0.101 17911 389 1 . 1 1 82 82 LEU CB C 268 40.681 40.681 41.482 -0.801 17911 390 1 . 1 1 82 82 LEU H H 268 8.304 8.304 8.454 -0.150 17911 391 1 . 1 1 83 83 LYS N N 269 119.140 119.140 119.172 -0.032 17911 392 1 . 1 1 83 83 LYS HA H 269 3.629 3.629 3.904 -0.275 17911 393 1 . 1 1 83 83 LYS CA C 269 60.279 60.279 60.102 0.177 17911 394 1 . 1 1 83 83 LYS CB C 269 33.052 33.052 32.428 0.624 17911 395 1 . 1 1 83 83 LYS H H 269 8.881 8.881 8.621 0.260 17911 396 1 . 1 1 84 84 GLU N N 270 116.647 116.647 119.156 -2.509 17911 397 1 . 1 1 84 84 GLU HA H 270 4.085 4.085 4.189 -0.104 17911 398 1 . 1 1 84 84 GLU CA C 270 58.903 58.903 58.868 0.035 17911 399 1 . 1 1 84 84 GLU CB C 270 29.223 29.223 29.738 -0.515 17911 400 1 . 1 1 84 84 GLU H H 270 7.107 7.107 7.805 -0.698 17911 401 1 . 1 1 85 85 LEU N N 271 120.657 120.657 120.627 0.030 17911 402 1 . 1 1 85 85 LEU HA H 271 3.992 3.992 4.097 -0.105 17911 403 1 . 1 1 85 85 LEU CA C 271 57.872 57.872 57.811 0.061 17911 404 1 . 1 1 85 85 LEU CB C 271 42.326 42.326 41.799 0.527 17911 405 1 . 1 1 85 85 LEU H H 271 7.757 7.757 8.275 -0.518 17911 406 1 . 1 1 86 86 LEU N N 272 119.651 119.651 118.164 1.487 17911 407 1 . 1 1 86 86 LEU HA H 272 3.535 3.535 3.758 -0.223 17911 408 1 . 1 1 86 86 LEU CA C 272 57.356 57.356 57.076 0.279 17911 409 1 . 1 1 86 86 LEU CB C 272 40.880 40.880 41.633 -0.753 17911 410 1 . 1 1 86 86 LEU H H 272 8.336 8.336 8.290 0.046 17911 411 1 . 1 1 87 87 GLN N N 273 113.087 113.087 115.655 -2.568 17911 412 1 . 1 1 87 87 GLN HA H 273 4.099 4.099 4.054 0.045 17911 413 1 . 1 1 87 87 GLN CA C 273 58.387 58.387 57.320 1.067 17911 414 1 . 1 1 87 87 GLN CB C 273 30.159 30.159 30.199 -0.040 17911 415 1 . 1 1 87 87 GLN H H 273 7.422 7.422 7.838 -0.416 17911 416 1 . 1 1 88 88 ASN N N 274 113.925 113.925 114.378 -0.453 17911 417 1 . 1 1 88 88 ASN HA H 274 4.921 4.921 4.873 0.048 17911 418 1 . 1 1 88 88 ASN CA C 274 53.747 53.747 53.262 0.485 17911 419 1 . 1 1 88 88 ASN CB C 274 40.625 40.625 41.168 -0.543 17911 420 1 . 1 1 88 88 ASN H H 274 8.388 8.388 8.198 0.190 17911 421 1 . 1 1 89 89 GLY N N 275 109.040 109.040 109.197 -0.157 17911 422 1 . 1 1 89 89 GLY CA C 275 44.709 44.709 45.266 -0.557 17911 423 1 . 1 1 89 89 GLY H H 275 7.698 7.698 8.027 -0.329 17911 424 1 . 1 1 90 90 MET N N 276 115.183 115.183 117.670 -2.487 17911 425 1 . 1 1 90 90 MET HA H 276 4.434 4.434 4.538 -0.104 17911 426 1 . 1 1 90 90 MET CA C 276 56.791 56.791 55.253 1.539 17911 427 1 . 1 1 90 90 MET CB C 276 33.637 33.637 32.668 0.969 17911 428 1 . 1 1 90 90 MET H H 276 8.599 8.599 8.358 0.241 17911 429 1 . 1 1 91 91 ASN N N 277 118.020 118.020 119.676 -1.656 17911 430 1 . 1 1 91 91 ASN HA H 277 4.301 4.301 4.496 -0.195 17911 431 1 . 1 1 91 91 ASN CA C 277 53.983 53.983 54.531 -0.548 17911 432 1 . 1 1 91 91 ASN CB C 277 37.987 37.987 38.076 -0.089 17911 433 1 . 1 1 91 91 ASN H H 277 9.033 9.033 8.397 0.636 17911 434 1 . 1 1 92 92 GLY N N 278 104.906 104.906 106.669 -1.763 17911 435 1 . 1 1 92 92 GLY CA C 278 45.645 45.645 45.151 0.494 17911 436 1 . 1 1 92 92 GLY H H 278 8.538 8.538 8.467 0.071 17911 437 1 . 1 1 93 93 ARG N N 279 120.056 120.056 120.106 -0.050 17911 438 1 . 1 1 93 93 ARG HA H 279 4.237 4.237 4.477 -0.240 17911 439 1 . 1 1 93 93 ARG CA C 279 55.344 55.344 54.930 0.414 17911 440 1 . 1 1 93 93 ARG CB C 279 31.491 31.491 32.118 -0.627 17911 441 1 . 1 1 93 93 ARG H H 279 7.257 7.257 7.796 -0.539 17911 442 1 . 1 1 94 94 THR N N 280 106.223 106.223 111.787 -5.564 17911 443 1 . 1 1 94 94 THR HA H 280 5.028 5.028 5.207 -0.179 17911 444 1 . 1 1 94 94 THR CA C 280 59.684 59.684 61.107 -1.423 17911 445 1 . 1 1 94 94 THR CB C 280 72.787 72.787 71.221 1.566 17911 446 1 . 1 1 94 94 THR H H 280 7.726 7.726 8.251 -0.525 17911 447 1 . 1 1 95 95 ILE N N 281 121.214 121.214 121.433 -0.219 17911 448 1 . 1 1 95 95 ILE HA H 281 4.301 4.301 4.653 -0.352 17911 449 1 . 1 1 95 95 ILE CA C 281 62.066 62.066 60.904 1.162 17911 450 1 . 1 1 95 95 ILE CB C 281 40.539 40.539 41.304 -0.765 17911 451 1 . 1 1 95 95 ILE H H 281 8.761 8.761 8.860 -0.099 17911 452 1 . 1 1 96 96 LEU N N 282 128.347 128.347 123.898 4.449 17911 453 1 . 1 1 96 96 LEU HA H 282 3.850 3.850 4.017 -0.167 17911 454 1 . 1 1 96 96 LEU CA C 282 55.344 55.344 55.440 -0.096 17911 455 1 . 1 1 96 96 LEU CB C 282 40.539 40.539 40.383 0.156 17911 456 1 . 1 1 96 96 LEU H H 282 9.905 9.905 9.047 0.858 17911 457 1 . 1 1 97 97 GLY N N 283 103.322 103.322 104.310 -0.988 17911 458 1 . 1 1 97 97 GLY CA C 283 45.645 45.645 44.861 0.784 17911 459 1 . 1 1 97 97 GLY H H 283 8.937 8.937 8.473 0.464 17911 460 1 . 1 1 98 98 SER N N 284 116.619 116.619 115.292 1.327 17911 461 1 . 1 1 98 98 SER HA H 284 4.950 4.950 4.969 -0.019 17911 462 1 . 1 1 98 98 SER CA C 284 56.961 56.961 56.156 0.805 17911 463 1 . 1 1 98 98 SER CB C 284 65.044 65.044 64.661 0.383 17911 464 1 . 1 1 98 98 SER H H 284 8.612 8.612 8.074 0.538 17911 465 1 . 1 1 99 99 THR N N 285 114.513 114.513 116.090 -1.577 17911 466 1 . 1 1 99 99 THR HA H 285 4.598 4.598 4.576 0.022 17911 467 1 . 1 1 99 99 THR CA C 285 61.739 61.739 62.866 -1.127 17911 468 1 . 1 1 99 99 THR CB C 285 69.214 69.214 68.857 0.357 17911 469 1 . 1 1 99 99 THR H H 285 8.601 8.601 8.628 -0.027 17911 470 1 . 1 1 100 100 ILE N N 286 117.511 117.511 116.104 1.407 17911 471 1 . 1 1 100 100 ILE HA H 286 4.496 4.496 4.654 -0.158 17911 472 1 . 1 1 100 100 ILE CA C 286 59.173 59.173 59.330 -0.157 17911 473 1 . 1 1 100 100 ILE CB C 286 41.887 41.887 40.948 0.939 17911 474 1 . 1 1 100 100 ILE H H 286 7.931 7.931 7.364 0.567 17911 475 1 . 1 1 101 101 LEU N N 287 121.101 121.101 117.848 3.253 17911 476 1 . 1 1 101 101 LEU HA H 287 4.157 4.157 4.250 -0.093 17911 477 1 . 1 1 101 101 LEU CA C 287 54.520 54.520 53.819 0.701 17911 478 1 . 1 1 101 101 LEU CB C 287 40.083 40.083 43.437 -3.354 17911 479 1 . 1 1 101 101 LEU H H 287 8.025 8.025 8.120 -0.095 17911 480 1 . 1 1 102 102 GLU HA H 288 3.720 3.720 4.263 -0.544 17911 481 1 . 1 1 102 102 GLU CA C 288 55.770 55.770 54.548 1.222 17911 482 1 . 1 1 102 102 GLU CB C 288 29.904 29.904 32.789 -2.885 17911 483 1 . 1 1 103 103 ASP N N 289 121.287 121.287 118.825 2.462 17911 484 1 . 1 1 103 103 ASP HA H 289 4.513 4.513 4.654 -0.141 17911 485 1 . 1 1 103 103 ASP CA C 289 52.281 52.281 53.732 -1.451 17911 486 1 . 1 1 103 103 ASP CB C 289 42.922 42.922 41.201 1.721 17911 487 1 . 1 1 103 103 ASP H H 289 8.014 8.014 8.504 -0.490 17911 488 1 . 1 1 104 104 GLU N N 290 118.245 118.245 119.496 -1.251 17911 489 1 . 1 1 104 104 GLU HA H 290 3.904 3.904 4.100 -0.196 17911 490 1 . 1 1 104 104 GLU CA C 290 57.614 57.614 57.602 0.012 17911 491 1 . 1 1 104 104 GLU CB C 290 30.499 30.499 29.670 0.829 17911 492 1 . 1 1 104 104 GLU H H 290 7.432 7.432 8.473 -1.041 17911 493 1 . 1 1 105 105 PHE N N 291 120.606 120.606 118.880 1.726 17911 494 1 . 1 1 105 105 PHE HA H 291 4.838 4.838 4.640 0.198 17911 495 1 . 1 1 105 105 PHE CA C 291 56.536 56.536 57.235 -0.699 17911 496 1 . 1 1 105 105 PHE CB C 291 39.774 39.774 40.020 -0.246 17911 497 1 . 1 1 105 105 PHE H H 291 8.835 8.835 7.825 1.010 17911 498 1 . 1 1 106 106 THR N N 292 111.349 111.349 116.329 -4.980 17911 499 1 . 1 1 106 106 THR HA H 292 4.670 4.670 4.602 0.068 17911 500 1 . 1 1 106 106 THR CA C 292 59.344 59.344 59.940 -0.596 17911 501 1 . 1 1 106 106 THR CB C 292 69.299 69.299 69.214 0.085 17911 502 1 . 1 1 106 106 THR H H 292 8.757 8.757 8.350 0.407 17911 503 1 . 1 1 107 107 PRO HA H 293 3.988 3.988 4.528 -0.540 17911 504 1 . 1 1 107 107 PRO CA C 293 65.606 65.606 63.811 1.795 17911 505 1 . 1 1 107 107 PRO CB C 293 31.321 31.321 32.105 -0.784 17911 506 1 . 1 1 108 108 PHE N N 294 114.627 114.627 116.741 -2.114 17911 507 1 . 1 1 108 108 PHE HA H 294 4.201 4.201 4.297 -0.096 17911 508 1 . 1 1 108 108 PHE CA C 294 59.676 59.676 59.328 0.348 17911 509 1 . 1 1 108 108 PHE CB C 294 38.582 38.582 38.549 0.033 17911 510 1 . 1 1 108 108 PHE H H 294 7.310 7.310 8.368 -1.058 17911 511 1 . 1 1 109 109 ASP N N 295 120.210 120.210 118.658 1.552 17911 512 1 . 1 1 109 109 ASP HA H 295 4.404 4.404 4.462 -0.058 17911 513 1 . 1 1 109 109 ASP CA C 295 57.098 57.098 55.259 1.839 17911 514 1 . 1 1 109 109 ASP CB C 295 41.475 41.475 41.418 0.057 17911 515 1 . 1 1 109 109 ASP H H 295 7.837 7.837 8.053 -0.216 17911 516 1 . 1 1 110 110 VAL N N 296 119.070 119.070 117.479 1.591 17911 517 1 . 1 1 110 110 VAL HA H 296 3.602 3.602 4.041 -0.439 17911 518 1 . 1 1 110 110 VAL CA C 296 66.491 66.491 63.119 3.372 17911 519 1 . 1 1 110 110 VAL CB C 296 31.605 31.605 31.484 0.121 17911 520 1 . 1 1 110 110 VAL H H 296 7.945 7.945 7.946 -0.001 17911 521 1 . 1 1 111 111 VAL N N 297 119.540 119.540 115.075 4.465 17911 522 1 . 1 1 111 111 VAL HA H 297 3.601 3.601 4.059 -0.458 17911 523 1 . 1 1 111 111 VAL CA C 297 66.379 66.379 62.749 3.630 17911 524 1 . 1 1 111 111 VAL CB C 297 31.605 31.605 31.970 -0.365 17911 525 1 . 1 1 111 111 VAL H H 297 8.109 8.109 7.761 0.348 17911 526 1 . 1 1 112 112 ARG N N 298 119.680 119.680 119.344 0.336 17911 527 1 . 1 1 112 112 ARG HA H 298 4.010 4.010 4.073 -0.063 17911 528 1 . 1 1 112 112 ARG CA C 298 58.634 58.634 57.284 1.350 17911 529 1 . 1 1 112 112 ARG CB C 298 30.028 30.028 29.340 0.688 17911 530 1 . 1 1 112 112 ARG H H 298 7.710 7.710 8.150 -0.440 17911 531 1 . 1 1 113 113 GLN N N 299 117.786 117.786 117.824 -0.038 17911 532 1 . 1 1 113 113 GLN HA H 299 4.158 4.158 4.217 -0.059 17911 533 1 . 1 1 113 113 GLN CA C 299 57.557 57.557 56.684 0.873 17911 534 1 . 1 1 113 113 GLN CB C 299 29.308 29.308 28.875 0.433 17911 535 1 . 1 1 113 113 GLN H H 299 8.033 8.033 8.274 -0.241 17911 536 1 . 1 1 114 114 CYS N N 300 115.786 115.786 118.445 -2.659 17911 537 1 . 1 1 114 114 CYS HA H 300 4.470 4.470 4.501 -0.031 17911 538 1 . 1 1 114 114 CYS CA C 300 59.934 59.934 58.716 1.218 17911 539 1 . 1 1 114 114 CYS CB C 300 28.293 28.293 28.655 -0.362 17911 540 1 . 1 1 114 114 CYS H H 300 8.071 8.071 8.094 -0.023 17911 541 1 . 1 1 115 115 SER N N 301 116.258 116.258 115.204 1.054 17911 542 1 . 1 1 115 115 SER HA H 301 4.407 4.407 4.432 -0.025 17911 543 1 . 1 1 115 115 SER CA C 301 59.485 59.485 59.096 0.389 17911 544 1 . 1 1 115 115 SER CB C 301 63.286 63.286 63.820 -0.534 17911 545 1 . 1 1 115 115 SER H H 301 7.883 7.883 8.226 -0.343 17911 546 1 . 1 1 116 116 GLY N N 302 110.709 110.709 108.855 1.854 17911 547 1 . 1 1 116 116 GLY CA C 302 45.239 45.239 45.459 -0.220 17911 548 1 . 1 1 116 116 GLY H H 302 8.355 8.355 8.167 0.188 17911 549 1 . 1 1 117 117 VAL N N 303 119.189 119.189 117.041 2.148 17911 550 1 . 1 1 117 117 VAL HA H 303 4.057 4.057 3.821 0.236 17911 551 1 . 1 1 117 117 VAL CA C 303 62.236 62.236 64.044 -1.808 17911 552 1 . 1 1 117 117 VAL CB C 303 32.626 32.626 31.272 1.354 17911 553 1 . 1 1 117 117 VAL H H 303 7.710 7.710 7.931 -0.221 17911 554 1 . 1 1 118 118 THR N N 304 118.009 118.009 112.800 5.209 17911 555 1 . 1 1 118 118 THR HA H 304 4.279 4.279 4.146 0.133 17911 556 1 . 1 1 118 118 THR CA C 304 61.556 61.556 62.983 -1.427 17911 557 1 . 1 1 118 118 THR CB C 304 69.894 69.894 69.439 0.455 17911 558 1 . 1 1 118 118 THR H H 304 8.109 8.109 7.660 0.449 17911 559 1 . 1 1 119 119 PHE N N 305 123.287 123.287 119.311 3.976 17911 560 1 . 1 1 119 119 PHE HA H 305 4.605 4.605 4.692 -0.087 17911 561 1 . 1 1 119 119 PHE CA C 305 57.727 57.727 58.244 -0.517 17911 562 1 . 1 1 119 119 PHE CB C 305 39.859 39.859 39.780 0.079 17911 563 1 . 1 1 119 119 PHE H H 305 8.298 8.298 8.017 0.281 17911 stop_ save_