data_25829 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25829 _Entry.PDB_ID 2N80 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 25829 _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 1 335 335 LEU N N 335 120.860 120.860 122.470 -1.610 25829 2 1 1 . 1 1 335 335 LEU HA H 335 4.203 4.203 4.546 -0.343 25829 3 1 1 . 1 1 335 335 LEU CA C 335 54.890 54.890 53.968 0.923 25829 4 1 1 . 1 1 335 335 LEU CB C 335 40.860 40.860 43.958 -3.098 25829 5 1 1 . 1 1 335 335 LEU H H 335 8.289 8.289 8.404 -0.115 25829 6 1 1 . 1 1 336 336 TYR N N 336 127.150 127.150 124.140 3.010 25829 7 1 1 . 1 1 336 336 TYR HA H 336 4.042 4.042 4.180 -0.138 25829 8 1 1 . 1 1 336 336 TYR CA C 336 61.360 61.360 61.215 0.145 25829 9 1 1 . 1 1 336 336 TYR CB C 336 38.768 38.768 38.934 -0.166 25829 10 1 1 . 1 1 336 336 TYR H H 336 9.027 9.027 8.757 0.270 25829 11 1 1 . 1 1 337 337 SER N N 337 111.560 111.560 112.683 -1.123 25829 12 1 1 . 1 1 337 337 SER HA H 337 3.926 3.926 4.073 -0.147 25829 13 1 1 . 1 1 337 337 SER CA C 337 59.251 59.251 60.261 -1.010 25829 14 1 1 . 1 1 337 337 SER CB C 337 62.235 62.235 62.686 -0.451 25829 15 1 1 . 1 1 337 337 SER H H 337 9.318 9.318 8.608 0.710 25829 16 1 1 . 1 1 338 338 SER N N 338 115.800 115.800 115.120 0.680 25829 17 1 1 . 1 1 338 338 SER HA H 338 4.465 4.465 4.334 0.131 25829 18 1 1 . 1 1 338 338 SER CA C 338 58.120 58.120 59.133 -1.013 25829 19 1 1 . 1 1 338 338 SER CB C 338 63.663 63.663 63.541 0.121 25829 20 1 1 . 1 1 338 338 SER H H 338 7.459 7.459 7.643 -0.184 25829 21 1 1 . 1 1 339 339 LEU N N 339 123.972 123.972 123.281 0.691 25829 22 1 1 . 1 1 339 339 LEU HA H 339 4.366 4.366 4.285 0.081 25829 23 1 1 . 1 1 339 339 LEU CA C 339 52.936 52.936 53.636 -0.700 25829 24 1 1 . 1 1 339 339 LEU CB C 339 40.889 40.889 41.293 -0.404 25829 25 1 1 . 1 1 339 339 LEU H H 339 7.520 7.520 7.215 0.305 25829 26 1 1 . 1 1 340 340 PRO HA H 340 4.723 4.723 4.666 0.057 25829 27 1 1 . 1 1 340 340 PRO CA C 340 60.800 60.800 61.323 -0.523 25829 28 1 1 . 1 1 340 340 PRO CB C 340 27.300 27.300 31.156 -3.856 25829 29 1 1 . 1 1 341 341 PRO HA H 341 3.971 3.971 4.164 -0.193 25829 30 1 1 . 1 1 341 341 PRO CA C 341 65.204 65.204 65.681 -0.477 25829 31 1 1 . 1 1 341 341 PRO CB C 341 31.100 31.100 31.484 -0.384 25829 32 1 1 . 1 1 342 342 ALA N N 342 117.460 117.460 120.237 -2.777 25829 33 1 1 . 1 1 342 342 ALA HA H 342 4.125 4.125 4.147 -0.022 25829 34 1 1 . 1 1 342 342 ALA CA C 342 54.529 54.529 54.970 -0.441 25829 35 1 1 . 1 1 342 342 ALA CB C 342 17.700 17.700 18.168 -0.467 25829 36 1 1 . 1 1 342 342 ALA H H 342 8.625 8.625 8.500 0.125 25829 37 1 1 . 1 1 343 343 LYS N N 343 117.364 117.364 119.282 -1.918 25829 38 1 1 . 1 1 343 343 LYS HA H 343 4.295 4.295 4.023 0.272 25829 39 1 1 . 1 1 343 343 LYS CA C 343 56.167 56.167 59.179 -3.012 25829 40 1 1 . 1 1 343 343 LYS CB C 343 30.889 30.889 32.135 -1.246 25829 41 1 1 . 1 1 343 343 LYS H H 343 7.254 7.254 7.647 -0.393 25829 42 1 1 . 1 1 344 344 ARG N N 344 118.680 118.680 118.056 0.624 25829 43 1 1 . 1 1 344 344 ARG HA H 344 3.850 3.850 4.202 -0.352 25829 44 1 1 . 1 1 344 344 ARG CA C 344 59.660 59.660 59.335 0.325 25829 45 1 1 . 1 1 344 344 ARG CB C 344 29.300 29.300 30.044 -0.744 25829 46 1 1 . 1 1 344 344 ARG H H 344 7.410 7.410 7.621 -0.211 25829 47 1 1 . 1 1 345 345 GLU N N 345 118.035 118.035 119.238 -1.203 25829 48 1 1 . 1 1 345 345 GLU HA H 345 3.926 3.926 4.098 -0.172 25829 49 1 1 . 1 1 345 345 GLU CA C 345 58.720 58.720 59.557 -0.837 25829 50 1 1 . 1 1 345 345 GLU CB C 345 28.600 28.600 29.495 -0.895 25829 51 1 1 . 1 1 345 345 GLU H H 345 8.267 8.267 8.065 0.202 25829 52 1 1 . 1 1 346 346 GLU N N 346 119.810 119.810 120.036 -0.226 25829 53 1 1 . 1 1 346 346 GLU HA H 346 3.950 3.950 4.108 -0.158 25829 54 1 1 . 1 1 346 346 GLU CA C 346 59.000 59.000 59.456 -0.456 25829 55 1 1 . 1 1 346 346 GLU CB C 346 29.113 29.113 29.535 -0.422 25829 56 1 1 . 1 1 346 346 GLU H H 346 7.444 7.444 8.161 -0.717 25829 57 1 1 . 1 1 347 347 VAL N N 347 119.540 119.540 118.463 1.077 25829 58 1 1 . 1 1 347 347 VAL HA H 347 3.470 3.470 3.744 -0.274 25829 59 1 1 . 1 1 347 347 VAL CA C 347 66.267 66.267 66.954 -0.687 25829 60 1 1 . 1 1 347 347 VAL CB C 347 30.800 30.800 30.960 -0.160 25829 61 1 1 . 1 1 347 347 VAL H H 347 7.938 7.938 8.644 -0.706 25829 62 1 1 . 1 1 348 348 GLU N N 348 118.250 118.250 119.865 -1.615 25829 63 1 1 . 1 1 348 348 GLU HA H 348 3.513 3.513 4.057 -0.544 25829 64 1 1 . 1 1 348 348 GLU CA C 348 59.609 59.609 59.676 -0.067 25829 65 1 1 . 1 1 348 348 GLU CB C 348 28.620 28.620 29.351 -0.731 25829 66 1 1 . 1 1 348 348 GLU H H 348 8.094 8.094 7.727 0.367 25829 67 1 1 . 1 1 349 349 LYS N N 349 118.860 118.860 119.292 -0.432 25829 68 1 1 . 1 1 349 349 LYS HA H 349 3.948 3.948 4.261 -0.313 25829 69 1 1 . 1 1 349 349 LYS CA C 349 59.000 59.000 58.864 0.136 25829 70 1 1 . 1 1 349 349 LYS CB C 349 31.809 31.809 32.369 -0.560 25829 71 1 1 . 1 1 349 349 LYS H H 349 8.319 8.319 8.070 0.249 25829 72 1 1 . 1 1 350 350 LEU N N 350 120.820 120.820 118.087 2.733 25829 73 1 1 . 1 1 350 350 LEU HA H 350 4.050 4.050 4.231 -0.181 25829 74 1 1 . 1 1 350 350 LEU CA C 350 56.954 56.954 57.775 -0.821 25829 75 1 1 . 1 1 350 350 LEU CB C 350 41.300 41.300 42.082 -0.782 25829 76 1 1 . 1 1 350 350 LEU H H 350 8.020 8.020 8.280 -0.260 25829 77 1 1 . 1 1 351 351 LEU N N 351 117.800 117.800 119.241 -1.441 25829 78 1 1 . 1 1 351 351 LEU HA H 351 4.020 4.020 3.957 0.063 25829 79 1 1 . 1 1 351 351 LEU CA C 351 56.700 56.700 57.172 -0.472 25829 80 1 1 . 1 1 351 351 LEU CB C 351 41.470 41.470 41.478 -0.008 25829 81 1 1 . 1 1 351 351 LEU H H 351 8.205 8.205 7.539 0.666 25829 82 1 1 . 1 1 352 352 ASN N N 352 118.847 118.847 115.152 3.695 25829 83 1 1 . 1 1 352 352 ASN HA H 352 4.487 4.487 4.562 -0.075 25829 84 1 1 . 1 1 352 352 ASN CA C 352 54.980 54.980 55.141 -0.161 25829 85 1 1 . 1 1 352 352 ASN CB C 352 38.660 38.660 38.570 0.090 25829 86 1 1 . 1 1 352 352 ASN H H 352 8.613 8.613 7.771 0.842 25829 87 1 1 . 1 1 353 353 GLY N N 353 104.836 104.836 106.288 -1.452 25829 88 1 1 . 1 1 353 353 GLY CA C 353 45.100 45.100 44.817 0.283 25829 89 1 1 . 1 1 353 353 GLY H H 353 7.803 7.803 7.572 0.231 25829 90 1 1 . 1 1 354 354 SER N N 354 115.370 115.370 116.650 -1.280 25829 91 1 1 . 1 1 354 354 SER HA H 354 4.530 4.530 4.222 0.308 25829 92 1 1 . 1 1 354 354 SER CA C 354 58.317 58.317 58.665 -0.348 25829 93 1 1 . 1 1 354 354 SER CB C 354 63.678 63.678 64.007 -0.329 25829 94 1 1 . 1 1 354 354 SER H H 354 7.567 7.567 7.442 0.125 25829 95 1 1 . 1 1 355 355 ALA N N 355 124.206 124.206 124.533 -0.327 25829 96 1 1 . 1 1 355 355 ALA HA H 355 4.455 4.455 4.249 0.206 25829 97 1 1 . 1 1 355 355 ALA CA C 355 51.960 51.960 52.663 -0.704 25829 98 1 1 . 1 1 355 355 ALA CB C 355 18.545 18.545 19.474 -0.929 25829 99 1 1 . 1 1 355 355 ALA H H 355 8.334 8.334 7.870 0.464 25829 100 1 1 . 1 1 356 356 GLY N N 356 108.886 108.886 108.227 0.659 25829 101 1 1 . 1 1 356 356 GLY CA C 356 46.340 46.340 46.905 -0.565 25829 102 1 1 . 1 1 356 356 GLY H H 356 8.613 8.613 8.860 -0.247 25829 103 1 1 . 1 1 357 357 ASP N N 357 119.161 119.161 116.224 2.937 25829 104 1 1 . 1 1 357 357 ASP HA H 357 4.490 4.490 4.397 0.093 25829 105 1 1 . 1 1 357 357 ASP CA C 357 53.700 53.700 52.951 0.749 25829 106 1 1 . 1 1 357 357 ASP CB C 357 39.418 39.418 39.857 -0.439 25829 107 1 1 . 1 1 357 357 ASP H H 357 8.534 8.534 7.966 0.568 25829 108 1 1 . 1 1 358 358 THR N N 358 116.000 116.000 117.461 -1.461 25829 109 1 1 . 1 1 358 358 THR HA H 358 3.855 3.855 3.776 0.079 25829 110 1 1 . 1 1 358 358 THR CA C 358 66.123 66.123 68.097 -1.974 25829 111 1 1 . 1 1 358 358 THR CB C 358 67.860 67.860 68.861 -1.001 25829 112 1 1 . 1 1 358 358 THR H H 358 7.864 7.864 8.286 -0.422 25829 113 1 1 . 1 1 359 359 TRP N N 359 118.670 118.670 119.841 -1.171 25829 114 1 1 . 1 1 359 359 TRP HA H 359 3.930 3.930 4.178 -0.248 25829 115 1 1 . 1 1 359 359 TRP CA C 359 59.500 59.500 59.704 -0.204 25829 116 1 1 . 1 1 359 359 TRP CB C 359 26.859 26.859 27.605 -0.746 25829 117 1 1 . 1 1 359 359 TRP H H 359 8.287 8.287 8.477 -0.190 25829 118 1 1 . 1 1 360 360 ARG N N 360 122.263 122.263 120.955 1.308 25829 119 1 1 . 1 1 360 360 ARG HA H 360 2.995 2.995 2.964 0.031 25829 120 1 1 . 1 1 360 360 ARG CA C 360 58.797 58.797 59.034 -0.237 25829 121 1 1 . 1 1 360 360 ARG CB C 360 28.650 28.650 29.196 -0.546 25829 122 1 1 . 1 1 360 360 ARG H H 360 6.341 6.341 6.387 -0.046 25829 123 1 1 . 1 1 361 361 HIS N N 361 120.604 120.604 118.312 2.292 25829 124 1 1 . 1 1 361 361 HIS HA H 361 4.379 4.379 4.194 0.185 25829 125 1 1 . 1 1 361 361 HIS CA C 361 57.124 57.124 59.139 -2.015 25829 126 1 1 . 1 1 361 361 HIS CB C 361 29.551 29.551 30.016 -0.465 25829 127 1 1 . 1 1 361 361 HIS H H 361 7.370 7.370 7.629 -0.259 25829 128 1 1 . 1 1 362 362 LEU N N 362 120.734 120.734 120.121 0.613 25829 129 1 1 . 1 1 362 362 LEU HA H 362 3.750 3.750 3.883 -0.133 25829 130 1 1 . 1 1 362 362 LEU CA C 362 57.153 57.153 57.810 -0.657 25829 131 1 1 . 1 1 362 362 LEU CB C 362 40.886 40.886 41.828 -0.942 25829 132 1 1 . 1 1 362 362 LEU H H 362 8.365 8.365 7.739 0.626 25829 133 1 1 . 1 1 363 363 ALA N N 363 118.919 118.919 120.459 -1.540 25829 134 1 1 . 1 1 363 363 ALA HA H 363 3.824 3.824 4.043 -0.219 25829 135 1 1 . 1 1 363 363 ALA CA C 363 54.910 54.910 55.442 -0.532 25829 136 1 1 . 1 1 363 363 ALA CB C 363 18.000 18.000 18.062 -0.062 25829 137 1 1 . 1 1 363 363 ALA H H 363 8.384 8.384 8.591 -0.207 25829 138 1 1 . 1 1 364 364 GLY N N 364 103.970 103.970 106.275 -2.305 25829 139 1 1 . 1 1 364 364 GLY CA C 364 46.452 46.452 47.168 -0.716 25829 140 1 1 . 1 1 364 364 GLY H H 364 7.679 7.679 7.879 -0.200 25829 141 1 1 . 1 1 365 365 GLU N N 365 122.387 122.387 120.609 1.778 25829 142 1 1 . 1 1 365 365 GLU HA H 365 4.250 4.250 4.269 -0.019 25829 143 1 1 . 1 1 365 365 GLU CA C 365 57.100 57.100 57.313 -0.213 25829 144 1 1 . 1 1 365 365 GLU CB C 365 29.043 29.043 29.327 -0.284 25829 145 1 1 . 1 1 365 365 GLU H H 365 7.724 7.724 7.695 0.029 25829 146 1 1 . 1 1 366 366 LEU N N 366 117.748 117.748 117.960 -0.212 25829 147 1 1 . 1 1 366 366 LEU HA H 366 4.329 4.329 4.268 0.061 25829 148 1 1 . 1 1 366 366 LEU CA C 366 53.898 53.898 55.154 -1.256 25829 149 1 1 . 1 1 366 366 LEU CB C 366 40.569 40.569 42.304 -1.735 25829 150 1 1 . 1 1 366 366 LEU H H 366 7.813 7.813 8.126 -0.313 25829 151 1 1 . 1 1 367 367 GLY N N 367 105.744 105.744 105.840 -0.096 25829 152 1 1 . 1 1 367 367 GLY CA C 367 44.900 44.900 45.030 -0.130 25829 153 1 1 . 1 1 367 367 GLY H H 367 7.636 7.636 7.417 0.219 25829 154 1 1 . 1 1 368 368 TYR N N 368 119.550 119.550 120.579 -1.029 25829 155 1 1 . 1 1 368 368 TYR HA H 368 4.450 4.450 4.338 0.112 25829 156 1 1 . 1 1 368 368 TYR CA C 368 58.960 58.960 59.118 -0.158 25829 157 1 1 . 1 1 368 368 TYR CB C 368 37.990 37.990 39.317 -1.327 25829 158 1 1 . 1 1 368 368 TYR H H 368 7.958 7.958 7.976 -0.018 25829 159 1 1 . 1 1 369 369 GLN N N 369 123.108 123.108 123.484 -0.376 25829 160 1 1 . 1 1 369 369 GLN HA H 369 4.600 4.600 4.460 0.140 25829 161 1 1 . 1 1 369 369 GLN CA C 369 53.400 53.400 54.529 -1.129 25829 162 1 1 . 1 1 369 369 GLN CB C 369 27.110 27.110 28.477 -1.367 25829 163 1 1 . 1 1 369 369 GLN H H 369 9.767 9.767 8.648 1.119 25829 164 1 1 . 1 1 370 370 PRO HA H 370 4.057 4.057 4.284 -0.227 25829 165 1 1 . 1 1 370 370 PRO CA C 370 66.262 66.262 65.386 0.876 25829 166 1 1 . 1 1 370 370 PRO CB C 370 31.384 31.384 32.051 -0.667 25829 167 1 1 . 1 1 371 371 GLU N N 371 116.204 116.204 117.179 -0.975 25829 168 1 1 . 1 1 371 371 GLU HA H 371 4.111 4.111 4.080 0.031 25829 169 1 1 . 1 1 371 371 GLU CA C 371 58.661 58.661 59.241 -0.580 25829 170 1 1 . 1 1 371 371 GLU CB C 371 27.741 27.741 28.385 -0.644 25829 171 1 1 . 1 1 371 371 GLU H H 371 9.493 9.493 9.032 0.461 25829 172 1 1 . 1 1 372 372 HIS N N 372 120.310 120.310 120.135 0.175 25829 173 1 1 . 1 1 372 372 HIS HA H 372 4.425 4.425 4.411 0.014 25829 174 1 1 . 1 1 372 372 HIS CA C 372 57.070 57.070 58.890 -1.820 25829 175 1 1 . 1 1 372 372 HIS CB C 372 31.818 31.818 30.659 1.159 25829 176 1 1 . 1 1 372 372 HIS H H 372 7.424 7.424 7.782 -0.358 25829 177 1 1 . 1 1 373 373 ILE N N 373 120.390 120.390 119.966 0.424 25829 178 1 1 . 1 1 373 373 ILE HA H 373 3.708 3.708 4.169 -0.461 25829 179 1 1 . 1 1 373 373 ILE CA C 373 65.480 65.480 63.729 1.751 25829 180 1 1 . 1 1 373 373 ILE CB C 373 37.329 37.329 36.587 0.741 25829 181 1 1 . 1 1 373 373 ILE H H 373 7.950 7.950 7.755 0.195 25829 182 1 1 . 1 1 374 374 ASP N N 374 117.990 117.990 120.719 -2.729 25829 183 1 1 . 1 1 374 374 ASP HA H 374 4.508 4.508 4.517 -0.009 25829 184 1 1 . 1 1 374 374 ASP CA C 374 56.504 56.504 57.744 -1.240 25829 185 1 1 . 1 1 374 374 ASP CB C 374 40.175 40.175 40.357 -0.182 25829 186 1 1 . 1 1 374 374 ASP H H 374 8.142 8.142 7.991 0.151 25829 187 1 1 . 1 1 375 375 SER N N 375 115.373 115.373 115.942 -0.569 25829 188 1 1 . 1 1 375 375 SER HA H 375 4.207 4.207 4.117 0.090 25829 189 1 1 . 1 1 375 375 SER CA C 375 60.962 60.962 61.107 -0.145 25829 190 1 1 . 1 1 375 375 SER CB C 375 61.999 61.999 63.171 -1.172 25829 191 1 1 . 1 1 375 375 SER H H 375 7.485 7.485 7.714 -0.229 25829 192 1 1 . 1 1 376 376 PHE N N 376 120.335 120.335 120.240 0.095 25829 193 1 1 . 1 1 376 376 PHE HA H 376 4.503 4.503 4.184 0.319 25829 194 1 1 . 1 1 376 376 PHE CA C 376 58.170 58.170 60.044 -1.874 25829 195 1 1 . 1 1 376 376 PHE CB C 376 37.729 37.729 38.611 -0.882 25829 196 1 1 . 1 1 376 376 PHE H H 376 7.787 7.787 8.309 -0.522 25829 197 1 1 . 1 1 377 377 THR N N 377 110.175 110.175 114.430 -4.255 25829 198 1 1 . 1 1 377 377 THR HA H 377 3.908 3.908 4.277 -0.369 25829 199 1 1 . 1 1 377 377 THR CA C 377 64.888 64.888 65.448 -0.561 25829 200 1 1 . 1 1 377 377 THR CB C 377 68.990 68.990 68.963 0.027 25829 201 1 1 . 1 1 377 377 THR H H 377 7.777 7.777 8.455 -0.678 25829 202 1 1 . 1 1 378 378 HIS N N 378 116.164 116.164 117.882 -1.718 25829 203 1 1 . 1 1 378 378 HIS HA H 378 4.630 4.630 4.594 0.036 25829 204 1 1 . 1 1 378 378 HIS CA C 378 55.189 55.189 57.479 -2.290 25829 205 1 1 . 1 1 378 378 HIS CB C 378 28.700 28.700 30.341 -1.641 25829 206 1 1 . 1 1 378 378 HIS H H 378 7.473 7.473 7.943 -0.470 25829 207 1 1 . 1 1 379 379 GLU N N 379 119.465 119.465 120.720 -1.255 25829 208 1 1 . 1 1 379 379 GLU HA H 379 4.194 4.194 4.316 -0.122 25829 209 1 1 . 1 1 379 379 GLU CA C 379 54.632 54.632 55.914 -1.282 25829 210 1 1 . 1 1 379 379 GLU CB C 379 29.247 29.247 30.840 -1.593 25829 211 1 1 . 1 1 379 379 GLU H H 379 7.229 7.229 7.708 -0.479 25829 212 1 1 . 1 1 380 380 ALA N N 380 123.121 123.121 125.504 -2.383 25829 213 1 1 . 1 1 380 380 ALA HA H 380 3.983 3.983 4.168 -0.185 25829 214 1 1 . 1 1 380 380 ALA CA C 380 54.134 54.134 53.819 0.315 25829 215 1 1 . 1 1 380 380 ALA CB C 380 17.480 17.480 18.845 -1.365 25829 216 1 1 . 1 1 380 380 ALA H H 380 8.624 8.624 8.407 0.217 25829 217 1 1 . 1 1 381 381 CYS N N 381 114.618 114.618 117.413 -2.795 25829 218 1 1 . 1 1 381 381 CYS HA H 381 4.650 4.650 4.792 -0.142 25829 219 1 1 . 1 1 381 381 CYS CA C 381 54.700 54.700 55.724 -1.024 25829 220 1 1 . 1 1 381 381 CYS CB C 381 26.580 26.580 28.334 -1.754 25829 221 1 1 . 1 1 381 381 CYS H H 381 7.962 7.962 7.878 0.084 25829 222 1 1 . 1 1 382 382 PRO HA H 382 3.530 3.530 4.240 -0.710 25829 223 1 1 . 1 1 382 382 PRO CA C 382 65.150 65.150 64.911 0.239 25829 224 1 1 . 1 1 382 382 PRO CB C 382 30.400 30.400 31.128 -0.728 25829 225 1 1 . 1 1 383 383 VAL N N 383 114.288 114.288 118.430 -4.142 25829 226 1 1 . 1 1 383 383 VAL HA H 383 3.250 3.250 3.459 -0.209 25829 227 1 1 . 1 1 383 383 VAL CA C 383 65.300 65.300 64.957 0.343 25829 228 1 1 . 1 1 383 383 VAL CB C 383 30.489 30.489 31.466 -0.977 25829 229 1 1 . 1 1 383 383 VAL H H 383 7.935 7.935 7.790 0.145 25829 230 1 1 . 1 1 384 384 ARG N N 384 120.700 120.700 118.745 1.955 25829 231 1 1 . 1 1 384 384 ARG HA H 384 3.782 3.782 3.938 -0.156 25829 232 1 1 . 1 1 384 384 ARG CA C 384 58.700 58.700 59.559 -0.859 25829 233 1 1 . 1 1 384 384 ARG CB C 384 29.545 29.545 29.774 -0.229 25829 234 1 1 . 1 1 384 384 ARG H H 384 7.253 7.253 7.703 -0.450 25829 235 1 1 . 1 1 385 385 ALA N N 385 121.849 121.849 122.721 -0.872 25829 236 1 1 . 1 1 385 385 ALA HA H 385 4.010 4.010 4.073 -0.063 25829 237 1 1 . 1 1 385 385 ALA CA C 385 54.015 54.015 54.924 -0.909 25829 238 1 1 . 1 1 385 385 ALA CB C 385 17.600 17.600 18.439 -0.839 25829 239 1 1 . 1 1 385 385 ALA H H 385 7.371 7.371 7.439 -0.068 25829 240 1 1 . 1 1 386 386 LEU N N 386 120.978 120.978 119.745 1.233 25829 241 1 1 . 1 1 386 386 LEU HA H 386 2.817 2.817 3.698 -0.881 25829 242 1 1 . 1 1 386 386 LEU CA C 386 56.800 56.800 57.833 -1.032 25829 243 1 1 . 1 1 386 386 LEU CB C 386 40.600 40.600 41.596 -0.996 25829 244 1 1 . 1 1 386 386 LEU H H 386 7.999 7.999 8.234 -0.235 25829 245 1 1 . 1 1 387 387 LEU N N 387 117.377 117.377 118.538 -1.161 25829 246 1 1 . 1 1 387 387 LEU HA H 387 4.040 4.040 3.852 0.188 25829 247 1 1 . 1 1 387 387 LEU CA C 387 57.390 57.390 58.048 -0.658 25829 248 1 1 . 1 1 387 387 LEU CB C 387 40.200 40.200 41.396 -1.196 25829 249 1 1 . 1 1 387 387 LEU H H 387 7.973 7.973 7.408 0.565 25829 250 1 1 . 1 1 388 388 ALA N N 388 120.700 120.700 121.597 -0.897 25829 251 1 1 . 1 1 388 388 ALA HA H 388 4.110 4.110 4.047 0.063 25829 252 1 1 . 1 1 388 388 ALA CA C 388 54.162 54.162 55.166 -1.004 25829 253 1 1 . 1 1 388 388 ALA CB C 388 17.437 17.437 18.214 -0.777 25829 254 1 1 . 1 1 388 388 ALA H H 388 8.086 8.086 7.702 0.384 25829 255 1 1 . 1 1 389 389 SER N N 389 111.963 111.963 114.591 -2.628 25829 256 1 1 . 1 1 389 389 SER HA H 389 4.386 4.386 4.356 0.030 25829 257 1 1 . 1 1 389 389 SER CA C 389 59.878 59.878 61.054 -1.176 25829 258 1 1 . 1 1 389 389 SER CB C 389 62.639 62.639 63.491 -0.852 25829 259 1 1 . 1 1 389 389 SER H H 389 7.446 7.446 8.387 -0.941 25829 260 1 1 . 1 1 390 390 TRP N N 390 125.600 125.600 124.911 0.689 25829 261 1 1 . 1 1 390 390 TRP HA H 390 4.319 4.319 4.621 -0.302 25829 262 1 1 . 1 1 390 390 TRP CA C 390 60.946 60.946 60.911 0.035 25829 263 1 1 . 1 1 390 390 TRP CB C 390 27.482 27.482 29.559 -2.077 25829 264 1 1 . 1 1 390 390 TRP H H 390 9.032 9.032 8.696 0.336 25829 265 1 1 . 1 1 391 391 ALA N N 391 114.481 114.481 118.924 -4.443 25829 266 1 1 . 1 1 391 391 ALA HA H 391 3.583 3.583 4.140 -0.557 25829 267 1 1 . 1 1 391 391 ALA CA C 391 52.859 52.859 53.925 -1.067 25829 268 1 1 . 1 1 391 391 ALA CB C 391 18.590 18.590 18.166 0.424 25829 269 1 1 . 1 1 391 391 ALA H H 391 8.312 8.312 8.098 0.214 25829 270 1 1 . 1 1 392 392 THR N N 392 106.369 106.369 112.973 -6.604 25829 271 1 1 . 1 1 392 392 THR HA H 392 4.196 4.196 4.195 0.001 25829 272 1 1 . 1 1 392 392 THR CA C 392 62.128 62.128 64.058 -1.930 25829 273 1 1 . 1 1 392 392 THR CB C 392 69.100 69.100 69.157 -0.057 25829 274 1 1 . 1 1 392 392 THR H H 392 7.238 7.238 7.644 -0.406 25829 275 1 1 . 1 1 393 393 GLN N N 393 121.193 121.193 119.121 2.072 25829 276 1 1 . 1 1 393 393 GLN HA H 393 4.295 4.295 4.612 -0.317 25829 277 1 1 . 1 1 393 393 GLN CA C 393 54.971 54.971 54.396 0.575 25829 278 1 1 . 1 1 393 393 GLN CB C 393 29.130 29.130 31.438 -2.308 25829 279 1 1 . 1 1 393 393 GLN H H 393 7.701 7.701 7.553 0.148 25829 280 1 1 . 1 1 394 394 ASP N N 394 121.430 121.430 122.809 -1.379 25829 281 1 1 . 1 1 394 394 ASP HA H 394 4.260 4.260 4.298 -0.038 25829 282 1 1 . 1 1 394 394 ASP CA C 394 55.700 55.700 56.498 -0.798 25829 283 1 1 . 1 1 394 394 ASP CB C 394 39.700 39.700 40.425 -0.725 25829 284 1 1 . 1 1 394 394 ASP H H 394 8.623 8.623 8.776 -0.153 25829 285 1 1 . 1 1 395 395 SER N N 395 108.500 108.500 114.794 -6.294 25829 286 1 1 . 1 1 395 395 SER HA H 395 4.293 4.293 4.172 0.121 25829 287 1 1 . 1 1 395 395 SER CA C 395 56.340 56.340 59.394 -3.054 25829 288 1 1 . 1 1 395 395 SER CB C 395 62.319 62.319 63.066 -0.747 25829 289 1 1 . 1 1 395 395 SER H H 395 7.437 7.437 8.021 -0.584 25829 290 1 1 . 1 1 396 396 ALA N N 396 127.500 127.500 124.301 3.199 25829 291 1 1 . 1 1 396 396 ALA HA H 396 3.974 3.974 2.072 1.902 25829 292 1 1 . 1 1 396 396 ALA CA C 396 51.617 51.617 50.476 1.141 25829 293 1 1 . 1 1 396 396 ALA CB C 396 15.670 15.670 17.023 -1.353 25829 294 1 1 . 1 1 396 396 ALA H H 396 7.077 7.077 7.225 -0.148 25829 295 1 1 . 1 1 397 397 THR N N 397 115.344 115.344 112.304 3.040 25829 296 1 1 . 1 1 397 397 THR HA H 397 4.760 4.760 4.414 0.346 25829 297 1 1 . 1 1 397 397 THR CA C 397 58.900 58.900 61.547 -2.647 25829 298 1 1 . 1 1 397 397 THR CB C 397 70.600 70.600 71.121 -0.521 25829 299 1 1 . 1 1 397 397 THR H H 397 7.802 7.802 7.679 0.123 25829 300 1 1 . 1 1 398 398 LEU N N 398 122.107 122.107 124.508 -2.401 25829 301 1 1 . 1 1 398 398 LEU HA H 398 4.402 4.402 4.222 0.180 25829 302 1 1 . 1 1 398 398 LEU CA C 398 57.949 57.949 58.574 -0.625 25829 303 1 1 . 1 1 398 398 LEU CB C 398 40.435 40.435 41.294 -0.859 25829 304 1 1 . 1 1 398 398 LEU H H 398 8.686 8.686 8.750 -0.064 25829 305 1 1 . 1 1 399 399 ASP N N 399 116.774 116.774 119.166 -2.392 25829 306 1 1 . 1 1 399 399 ASP HA H 399 4.340 4.340 4.225 0.115 25829 307 1 1 . 1 1 399 399 ASP CA C 399 57.209 57.209 58.081 -0.872 25829 308 1 1 . 1 1 399 399 ASP CB C 399 39.800 39.800 40.767 -0.968 25829 309 1 1 . 1 1 399 399 ASP H H 399 8.592 8.592 8.240 0.352 25829 310 1 1 . 1 1 400 400 ALA N N 400 123.457 123.457 122.262 1.195 25829 311 1 1 . 1 1 400 400 ALA HA H 400 4.265 4.265 4.294 -0.029 25829 312 1 1 . 1 1 400 400 ALA CA C 400 54.429 54.429 55.164 -0.735 25829 313 1 1 . 1 1 400 400 ALA CB C 400 17.800 17.800 18.685 -0.885 25829 314 1 1 . 1 1 400 400 ALA H H 400 8.285 8.285 8.128 0.157 25829 315 1 1 . 1 1 401 401 LEU N N 401 121.963 121.963 120.570 1.393 25829 316 1 1 . 1 1 401 401 LEU HA H 401 3.774 3.774 3.848 -0.074 25829 317 1 1 . 1 1 401 401 LEU CA C 401 57.306 57.306 57.874 -0.568 25829 318 1 1 . 1 1 401 401 LEU CB C 401 40.560 40.560 42.181 -1.621 25829 319 1 1 . 1 1 401 401 LEU H H 401 7.952 7.952 7.989 -0.037 25829 320 1 1 . 1 1 402 402 LEU N N 402 117.440 117.440 118.822 -1.382 25829 321 1 1 . 1 1 402 402 LEU HA H 402 3.837 3.837 3.854 -0.017 25829 322 1 1 . 1 1 402 402 LEU CA C 402 57.400 57.400 58.057 -0.657 25829 323 1 1 . 1 1 402 402 LEU CB C 402 39.700 39.700 41.355 -1.655 25829 324 1 1 . 1 1 402 402 LEU H H 402 8.633 8.633 8.580 0.053 25829 325 1 1 . 1 1 403 403 ALA N N 403 119.971 119.971 121.143 -1.172 25829 326 1 1 . 1 1 403 403 ALA HA H 403 3.993 3.993 3.927 0.066 25829 327 1 1 . 1 1 403 403 ALA CA C 403 54.500 54.500 55.120 -0.620 25829 328 1 1 . 1 1 403 403 ALA CB C 403 17.200 17.200 18.021 -0.821 25829 329 1 1 . 1 1 403 403 ALA H H 403 8.132 8.132 8.000 0.132 25829 330 1 1 . 1 1 404 404 ALA N N 404 121.297 121.297 121.253 0.044 25829 331 1 1 . 1 1 404 404 ALA HA H 404 3.815 3.815 3.991 -0.176 25829 332 1 1 . 1 1 404 404 ALA CA C 404 54.800 54.800 54.713 0.087 25829 333 1 1 . 1 1 404 404 ALA CB C 404 18.100 18.100 18.555 -0.455 25829 334 1 1 . 1 1 404 404 ALA H H 404 7.610 7.610 7.817 -0.207 25829 335 1 1 . 1 1 405 405 LEU N N 405 116.480 116.480 118.565 -2.085 25829 336 1 1 . 1 1 405 405 LEU HA H 405 3.853 3.853 3.806 0.047 25829 337 1 1 . 1 1 405 405 LEU CA C 405 56.591 56.591 57.979 -1.388 25829 338 1 1 . 1 1 405 405 LEU CB C 405 41.000 41.000 41.653 -0.653 25829 339 1 1 . 1 1 405 405 LEU H H 405 8.009 8.009 8.247 -0.238 25829 340 1 1 . 1 1 406 406 ARG N N 406 118.300 118.300 118.496 -0.196 25829 341 1 1 . 1 1 406 406 ARG HA H 406 3.804 3.804 4.069 -0.265 25829 342 1 1 . 1 1 406 406 ARG CA C 406 59.650 59.650 59.460 0.190 25829 343 1 1 . 1 1 406 406 ARG CB C 406 29.300 29.300 29.757 -0.457 25829 344 1 1 . 1 1 406 406 ARG H H 406 7.983 7.983 7.887 0.096 25829 345 1 1 . 1 1 407 407 ARG N N 407 120.307 120.307 119.264 1.043 25829 346 1 1 . 1 1 407 407 ARG HA H 407 4.085 4.085 4.170 -0.085 25829 347 1 1 . 1 1 407 407 ARG CA C 407 59.552 59.552 58.111 1.440 25829 348 1 1 . 1 1 407 407 ARG CB C 407 29.700 29.700 29.316 0.384 25829 349 1 1 . 1 1 407 407 ARG H H 407 7.916 7.916 7.722 0.194 25829 350 1 1 . 1 1 408 408 ILE N N 408 110.637 110.637 112.861 -2.224 25829 351 1 1 . 1 1 408 408 ILE HA H 408 4.530 4.530 4.416 0.114 25829 352 1 1 . 1 1 408 408 ILE CA C 408 60.500 60.500 60.469 0.031 25829 353 1 1 . 1 1 408 408 ILE CB C 408 36.148 36.148 37.403 -1.254 25829 354 1 1 . 1 1 408 408 ILE H H 408 7.274 7.274 7.285 -0.011 25829 355 1 1 . 1 1 409 409 GLN N N 409 113.647 113.647 116.387 -2.740 25829 356 1 1 . 1 1 409 409 GLN HA H 409 3.962 3.962 3.969 -0.007 25829 357 1 1 . 1 1 409 409 GLN CA C 409 56.289 56.289 57.304 -1.015 25829 358 1 1 . 1 1 409 409 GLN CB C 409 24.550 24.550 26.124 -1.574 25829 359 1 1 . 1 1 409 409 GLN H H 409 7.714 7.714 7.651 0.063 25829 360 1 1 . 1 1 410 410 ARG N N 410 117.152 117.152 116.883 0.269 25829 361 1 1 . 1 1 410 410 ARG HA H 410 5.039 5.039 4.833 0.206 25829 362 1 1 . 1 1 410 410 ARG CA C 410 50.920 50.920 54.040 -3.120 25829 363 1 1 . 1 1 410 410 ARG CB C 410 26.600 26.600 30.358 -3.757 25829 364 1 1 . 1 1 410 410 ARG H H 410 8.029 8.029 8.128 -0.099 25829 365 1 1 . 1 1 411 411 ALA N N 411 123.065 123.065 122.922 0.143 25829 366 1 1 . 1 1 411 411 ALA HA H 411 3.854 3.854 3.907 -0.053 25829 367 1 1 . 1 1 411 411 ALA CA C 411 54.287 54.287 55.434 -1.147 25829 368 1 1 . 1 1 411 411 ALA CB C 411 17.691 17.691 18.483 -0.792 25829 369 1 1 . 1 1 411 411 ALA H H 411 8.121 8.121 8.488 -0.367 25829 370 1 1 . 1 1 412 412 ASP N N 412 116.575 116.575 118.587 -2.012 25829 371 1 1 . 1 1 412 412 ASP HA H 412 4.251 4.251 4.240 0.011 25829 372 1 1 . 1 1 412 412 ASP CA C 412 55.566 55.566 56.657 -1.091 25829 373 1 1 . 1 1 412 412 ASP CB C 412 38.000 38.000 39.626 -1.626 25829 374 1 1 . 1 1 412 412 ASP H H 412 8.916 8.916 8.466 0.450 25829 375 1 1 . 1 1 413 413 LEU N N 413 120.881 120.881 120.070 0.811 25829 376 1 1 . 1 1 413 413 LEU HA H 413 4.134 4.134 4.006 0.128 25829 377 1 1 . 1 1 413 413 LEU CA C 413 56.251 56.251 57.060 -0.809 25829 378 1 1 . 1 1 413 413 LEU CB C 413 41.190 41.190 41.917 -0.727 25829 379 1 1 . 1 1 413 413 LEU H H 413 7.497 7.497 7.756 -0.259 25829 380 1 1 . 1 1 414 414 VAL N N 414 117.403 117.403 119.436 -2.033 25829 381 1 1 . 1 1 414 414 VAL HA H 414 3.475 3.475 3.530 -0.055 25829 382 1 1 . 1 1 414 414 VAL CA C 414 65.682 65.682 67.221 -1.539 25829 383 1 1 . 1 1 414 414 VAL CB C 414 31.000 31.000 31.120 -0.120 25829 384 1 1 . 1 1 414 414 VAL H H 414 7.158 7.158 8.345 -1.187 25829 385 1 1 . 1 1 415 415 GLU N N 415 118.645 118.645 119.780 -1.135 25829 386 1 1 . 1 1 415 415 GLU HA H 415 3.957 3.957 3.870 0.087 25829 387 1 1 . 1 1 415 415 GLU CA C 415 58.698 58.698 59.628 -0.930 25829 388 1 1 . 1 1 415 415 GLU CB C 415 28.535 28.535 29.550 -1.015 25829 389 1 1 . 1 1 415 415 GLU H H 415 8.023 8.023 8.055 -0.032 25829 390 1 1 . 1 1 416 416 SER N N 416 113.570 113.570 114.650 -1.080 25829 391 1 1 . 1 1 416 416 SER HA H 416 4.230 4.230 4.267 -0.037 25829 392 1 1 . 1 1 416 416 SER CA C 416 60.774 60.774 60.912 -0.138 25829 393 1 1 . 1 1 416 416 SER CB C 416 62.641 62.641 63.458 -0.817 25829 394 1 1 . 1 1 416 416 SER H H 416 7.668 7.668 7.508 0.160 25829 395 1 1 . 1 1 417 417 LEU N N 417 120.278 120.278 123.619 -3.341 25829 396 1 1 . 1 1 417 417 LEU HA H 417 4.220 4.220 4.168 0.052 25829 397 1 1 . 1 1 417 417 LEU CA C 417 55.974 55.974 57.461 -1.487 25829 398 1 1 . 1 1 417 417 LEU CB C 417 42.477 42.477 42.040 0.437 25829 399 1 1 . 1 1 417 417 LEU H H 417 7.727 7.727 7.845 -0.118 25829 400 1 1 . 1 1 418 418 CYS N N 418 116.200 116.200 117.220 -1.020 25829 401 1 1 . 1 1 418 418 CYS HA H 418 4.490 4.490 4.028 0.462 25829 402 1 1 . 1 1 418 418 CYS CA C 418 59.010 59.010 63.195 -4.185 25829 403 1 1 . 1 1 418 418 CYS CB C 418 27.300 27.300 26.724 0.577 25829 404 1 1 . 1 1 418 418 CYS H H 418 7.855 7.855 8.842 -0.987 25829 405 1 1 . 1 1 419 419 SER N N 419 116.680 116.680 116.501 0.179 25829 406 1 1 . 1 1 419 419 SER HA H 419 4.402 4.402 4.097 0.305 25829 407 1 1 . 1 1 419 419 SER CA C 419 58.284 58.284 61.780 -3.496 25829 408 1 1 . 1 1 419 419 SER CB C 419 63.179 63.179 62.792 0.387 25829 409 1 1 . 1 1 419 419 SER H H 419 7.813 7.813 7.679 0.134 25829 410 1 1 . 1 1 420 420 GLU N N 420 122.629 122.629 119.802 2.827 25829 411 1 1 . 1 1 420 420 GLU HA H 420 4.338 4.338 4.324 0.014 25829 412 1 1 . 1 1 420 420 GLU CA C 420 56.021 56.021 56.907 -0.886 25829 413 1 1 . 1 1 420 420 GLU CB C 420 29.569 29.569 29.725 -0.156 25829 414 1 1 . 1 1 420 420 GLU H H 420 8.456 8.456 7.634 0.822 25829 415 1 1 . 1 1 421 421 SER N N 421 116.600 116.600 115.582 1.018 25829 416 1 1 . 1 1 421 421 SER HA H 421 4.470 4.470 4.408 0.062 25829 417 1 1 . 1 1 421 421 SER CA C 421 57.800 57.800 58.880 -1.079 25829 418 1 1 . 1 1 421 421 SER CB C 421 63.180 63.180 62.872 0.308 25829 419 1 1 . 1 1 421 421 SER H H 421 8.321 8.321 7.673 0.648 25829 420 1 1 . 1 1 422 422 THR N N 422 115.756 115.756 116.733 -0.977 25829 421 1 1 . 1 1 422 422 THR HA H 422 4.331 4.331 4.393 -0.062 25829 422 1 1 . 1 1 422 422 THR CA C 422 61.100 61.100 61.815 -0.715 25829 423 1 1 . 1 1 422 422 THR CB C 422 69.000 69.000 71.632 -2.632 25829 424 1 1 . 1 1 422 422 THR H H 422 8.144 8.144 7.505 0.639 25829 425 1 1 . 1 1 423 423 ALA N N 423 126.280 126.280 127.741 -1.461 25829 426 1 1 . 1 1 423 423 ALA HA H 423 4.369 4.369 4.251 0.118 25829 427 1 1 . 1 1 423 423 ALA CA C 423 52.060 52.060 52.788 -0.728 25829 428 1 1 . 1 1 423 423 ALA CB C 423 18.600 18.600 17.957 0.643 25829 429 1 1 . 1 1 423 423 ALA H H 423 8.233 8.233 8.441 -0.208 25829 430 1 1 . 1 1 424 424 THR N N 424 113.047 113.047 116.536 -3.489 25829 431 1 1 . 1 1 424 424 THR HA H 424 4.316 4.316 4.550 -0.234 25829 432 1 1 . 1 1 424 424 THR CA C 424 60.990 60.990 62.173 -1.183 25829 433 1 1 . 1 1 424 424 THR CB C 424 69.200 69.200 70.327 -1.127 25829 434 1 1 . 1 1 424 424 THR H H 424 8.061 8.061 7.718 0.343 25829 435 1 1 . 1 1 425 425 SER N N 425 119.479 119.479 119.603 -0.124 25829 436 1 1 . 1 1 425 425 SER HA H 425 4.755 4.755 4.832 -0.077 25829 437 1 1 . 1 1 425 425 SER CA C 425 55.720 55.720 57.160 -1.440 25829 438 1 1 . 1 1 425 425 SER CB C 425 62.800 62.800 63.099 -0.299 25829 439 1 1 . 1 1 425 425 SER H H 425 8.215 8.215 8.446 -0.231 25829 440 1 1 . 1 1 426 426 PRO HA H 426 4.461 4.461 4.495 -0.034 25829 441 1 1 . 1 1 426 426 PRO CA C 426 62.851 62.851 63.560 -0.709 25829 442 1 1 . 1 1 426 426 PRO CB C 426 31.308 31.308 31.929 -0.621 25829 443 1 2 . 1 1 335 335 LEU N N 335 120.860 120.860 121.707 -0.847 25829 444 1 2 . 1 1 335 335 LEU HA H 335 4.203 4.203 4.315 -0.112 25829 445 1 2 . 1 1 335 335 LEU CA C 335 54.890 54.890 55.027 -0.137 25829 446 1 2 . 1 1 335 335 LEU CB C 335 40.860 40.860 42.655 -1.795 25829 447 1 2 . 1 1 335 335 LEU H H 335 8.289 8.289 7.969 0.320 25829 448 1 2 . 1 1 336 336 TYR N N 336 127.150 127.150 122.796 4.354 25829 449 1 2 . 1 1 336 336 TYR HA H 336 4.042 4.042 4.165 -0.123 25829 450 1 2 . 1 1 336 336 TYR CA C 336 61.360 61.360 60.986 0.374 25829 451 1 2 . 1 1 336 336 TYR CB C 336 38.768 38.768 38.302 0.466 25829 452 1 2 . 1 1 336 336 TYR H H 336 9.027 9.027 8.634 0.393 25829 453 1 2 . 1 1 337 337 SER N N 337 111.560 111.560 113.165 -1.605 25829 454 1 2 . 1 1 337 337 SER HA H 337 3.926 3.926 4.120 -0.194 25829 455 1 2 . 1 1 337 337 SER CA C 337 59.251 59.251 60.426 -1.175 25829 456 1 2 . 1 1 337 337 SER CB C 337 62.235 62.235 62.737 -0.502 25829 457 1 2 . 1 1 337 337 SER H H 337 9.318 9.318 8.477 0.841 25829 458 1 2 . 1 1 338 338 SER N N 338 115.800 115.800 114.979 0.821 25829 459 1 2 . 1 1 338 338 SER HA H 338 4.465 4.465 4.361 0.104 25829 460 1 2 . 1 1 338 338 SER CA C 338 58.120 58.120 59.164 -1.044 25829 461 1 2 . 1 1 338 338 SER CB C 338 63.663 63.663 63.578 0.085 25829 462 1 2 . 1 1 338 338 SER H H 338 7.459 7.459 7.763 -0.304 25829 463 1 2 . 1 1 339 339 LEU N N 339 123.972 123.972 123.193 0.779 25829 464 1 2 . 1 1 339 339 LEU HA H 339 4.366 4.366 4.328 0.038 25829 465 1 2 . 1 1 339 339 LEU CA C 339 52.936 52.936 53.423 -0.487 25829 466 1 2 . 1 1 339 339 LEU CB C 339 40.889 40.889 41.302 -0.413 25829 467 1 2 . 1 1 339 339 LEU H H 339 7.520 7.520 7.211 0.309 25829 468 1 2 . 1 1 340 340 PRO HA H 340 4.723 4.723 4.696 0.027 25829 469 1 2 . 1 1 340 340 PRO CA C 340 60.800 60.800 61.279 -0.479 25829 470 1 2 . 1 1 340 340 PRO CB C 340 27.300 27.300 31.233 -3.933 25829 471 1 2 . 1 1 341 341 PRO HA H 341 3.971 3.971 4.209 -0.238 25829 472 1 2 . 1 1 341 341 PRO CA C 341 65.204 65.204 65.434 -0.230 25829 473 1 2 . 1 1 341 341 PRO CB C 341 31.100 31.100 31.538 -0.438 25829 474 1 2 . 1 1 342 342 ALA N N 342 117.460 117.460 121.867 -4.407 25829 475 1 2 . 1 1 342 342 ALA HA H 342 4.125 4.125 4.023 0.102 25829 476 1 2 . 1 1 342 342 ALA CA C 342 54.529 54.529 55.113 -0.584 25829 477 1 2 . 1 1 342 342 ALA CB C 342 17.700 17.700 18.054 -0.354 25829 478 1 2 . 1 1 342 342 ALA H H 342 8.625 8.625 8.337 0.288 25829 479 1 2 . 1 1 343 343 LYS N N 343 117.364 117.364 118.923 -1.559 25829 480 1 2 . 1 1 343 343 LYS HA H 343 4.295 4.295 3.977 0.318 25829 481 1 2 . 1 1 343 343 LYS CA C 343 56.167 56.167 59.116 -2.949 25829 482 1 2 . 1 1 343 343 LYS CB C 343 30.889 30.889 31.825 -0.936 25829 483 1 2 . 1 1 343 343 LYS H H 343 7.254 7.254 7.653 -0.399 25829 484 1 2 . 1 1 344 344 ARG N N 344 118.680 118.680 118.309 0.371 25829 485 1 2 . 1 1 344 344 ARG HA H 344 3.850 3.850 4.023 -0.173 25829 486 1 2 . 1 1 344 344 ARG CA C 344 59.660 59.660 58.608 1.052 25829 487 1 2 . 1 1 344 344 ARG CB C 344 29.300 29.300 29.457 -0.157 25829 488 1 2 . 1 1 344 344 ARG H H 344 7.410 7.410 7.585 -0.175 25829 489 1 2 . 1 1 345 345 GLU N N 345 118.035 118.035 119.147 -1.112 25829 490 1 2 . 1 1 345 345 GLU HA H 345 3.926 3.926 4.075 -0.149 25829 491 1 2 . 1 1 345 345 GLU CA C 345 58.720 58.720 59.461 -0.741 25829 492 1 2 . 1 1 345 345 GLU CB C 345 28.600 28.600 29.425 -0.825 25829 493 1 2 . 1 1 345 345 GLU H H 345 8.267 8.267 7.599 0.668 25829 494 1 2 . 1 1 346 346 GLU N N 346 119.810 119.810 120.409 -0.599 25829 495 1 2 . 1 1 346 346 GLU HA H 346 3.950 3.950 4.097 -0.147 25829 496 1 2 . 1 1 346 346 GLU CA C 346 59.000 59.000 59.260 -0.260 25829 497 1 2 . 1 1 346 346 GLU CB C 346 29.113 29.113 29.406 -0.293 25829 498 1 2 . 1 1 346 346 GLU H H 346 7.444 7.444 8.059 -0.615 25829 499 1 2 . 1 1 347 347 VAL N N 347 119.540 119.540 118.202 1.338 25829 500 1 2 . 1 1 347 347 VAL HA H 347 3.470 3.470 3.736 -0.266 25829 501 1 2 . 1 1 347 347 VAL CA C 347 66.267 66.267 67.064 -0.797 25829 502 1 2 . 1 1 347 347 VAL CB C 347 30.800 30.800 30.978 -0.178 25829 503 1 2 . 1 1 347 347 VAL H H 347 7.938 7.938 8.698 -0.760 25829 504 1 2 . 1 1 348 348 GLU N N 348 118.250 118.250 118.814 -0.564 25829 505 1 2 . 1 1 348 348 GLU HA H 348 3.513 3.513 4.114 -0.601 25829 506 1 2 . 1 1 348 348 GLU CA C 348 59.609 59.609 59.422 0.187 25829 507 1 2 . 1 1 348 348 GLU CB C 348 28.620 28.620 29.360 -0.740 25829 508 1 2 . 1 1 348 348 GLU H H 348 8.094 8.094 7.836 0.258 25829 509 1 2 . 1 1 349 349 LYS N N 349 118.860 118.860 119.205 -0.345 25829 510 1 2 . 1 1 349 349 LYS HA H 349 3.948 3.948 4.145 -0.197 25829 511 1 2 . 1 1 349 349 LYS CA C 349 59.000 59.000 58.885 0.115 25829 512 1 2 . 1 1 349 349 LYS CB C 349 31.809 31.809 32.624 -0.815 25829 513 1 2 . 1 1 349 349 LYS H H 349 8.319 8.319 8.095 0.225 25829 514 1 2 . 1 1 350 350 LEU N N 350 120.820 120.820 119.640 1.180 25829 515 1 2 . 1 1 350 350 LEU HA H 350 4.050 4.050 4.170 -0.120 25829 516 1 2 . 1 1 350 350 LEU CA C 350 56.954 56.954 58.040 -1.086 25829 517 1 2 . 1 1 350 350 LEU CB C 350 41.300 41.300 41.748 -0.448 25829 518 1 2 . 1 1 350 350 LEU H H 350 8.020 8.020 8.577 -0.557 25829 519 1 2 . 1 1 351 351 LEU N N 351 117.800 117.800 118.644 -0.844 25829 520 1 2 . 1 1 351 351 LEU HA H 351 4.020 4.020 3.987 0.033 25829 521 1 2 . 1 1 351 351 LEU CA C 351 56.700 56.700 56.726 -0.026 25829 522 1 2 . 1 1 351 351 LEU CB C 351 41.470 41.470 41.394 0.076 25829 523 1 2 . 1 1 351 351 LEU H H 351 8.205 8.205 7.673 0.532 25829 524 1 2 . 1 1 352 352 ASN N N 352 118.847 118.847 115.903 2.944 25829 525 1 2 . 1 1 352 352 ASN HA H 352 4.487 4.487 4.597 -0.110 25829 526 1 2 . 1 1 352 352 ASN CA C 352 54.980 54.980 54.822 0.158 25829 527 1 2 . 1 1 352 352 ASN CB C 352 38.660 38.660 38.625 0.035 25829 528 1 2 . 1 1 352 352 ASN H H 352 8.613 8.613 7.574 1.039 25829 529 1 2 . 1 1 353 353 GLY N N 353 104.836 104.836 106.589 -1.753 25829 530 1 2 . 1 1 353 353 GLY CA C 353 45.100 45.100 44.953 0.147 25829 531 1 2 . 1 1 353 353 GLY H H 353 7.803 7.803 7.561 0.242 25829 532 1 2 . 1 1 354 354 SER N N 354 115.370 115.370 116.573 -1.203 25829 533 1 2 . 1 1 354 354 SER HA H 354 4.530 4.530 4.216 0.314 25829 534 1 2 . 1 1 354 354 SER CA C 354 58.317 58.317 58.696 -0.379 25829 535 1 2 . 1 1 354 354 SER CB C 354 63.678 63.678 64.017 -0.340 25829 536 1 2 . 1 1 354 354 SER H H 354 7.567 7.567 7.375 0.192 25829 537 1 2 . 1 1 355 355 ALA N N 355 124.206 124.206 125.071 -0.865 25829 538 1 2 . 1 1 355 355 ALA HA H 355 4.455 4.455 4.259 0.196 25829 539 1 2 . 1 1 355 355 ALA CA C 355 51.960 51.960 52.716 -0.756 25829 540 1 2 . 1 1 355 355 ALA CB C 355 18.545 18.545 19.519 -0.974 25829 541 1 2 . 1 1 355 355 ALA H H 355 8.334 8.334 7.764 0.570 25829 542 1 2 . 1 1 356 356 GLY N N 356 108.886 108.886 107.848 1.038 25829 543 1 2 . 1 1 356 356 GLY CA C 356 46.340 46.340 46.895 -0.555 25829 544 1 2 . 1 1 356 356 GLY H H 356 8.613 8.613 8.889 -0.276 25829 545 1 2 . 1 1 357 357 ASP N N 357 119.161 119.161 116.374 2.787 25829 546 1 2 . 1 1 357 357 ASP HA H 357 4.490 4.490 4.335 0.155 25829 547 1 2 . 1 1 357 357 ASP CA C 357 53.700 53.700 52.882 0.818 25829 548 1 2 . 1 1 357 357 ASP CB C 357 39.418 39.418 39.797 -0.379 25829 549 1 2 . 1 1 357 357 ASP H H 357 8.534 8.534 7.996 0.538 25829 550 1 2 . 1 1 358 358 THR N N 358 116.000 116.000 117.429 -1.429 25829 551 1 2 . 1 1 358 358 THR HA H 358 3.855 3.855 3.835 0.020 25829 552 1 2 . 1 1 358 358 THR CA C 358 66.123 66.123 67.983 -1.860 25829 553 1 2 . 1 1 358 358 THR CB C 358 67.860 67.860 68.892 -1.032 25829 554 1 2 . 1 1 358 358 THR H H 358 7.864 7.864 8.274 -0.410 25829 555 1 2 . 1 1 359 359 TRP N N 359 118.670 118.670 119.655 -0.985 25829 556 1 2 . 1 1 359 359 TRP HA H 359 3.930 3.930 4.213 -0.283 25829 557 1 2 . 1 1 359 359 TRP CA C 359 59.500 59.500 59.411 0.089 25829 558 1 2 . 1 1 359 359 TRP CB C 359 26.859 26.859 27.453 -0.594 25829 559 1 2 . 1 1 359 359 TRP H H 359 8.287 8.287 8.426 -0.139 25829 560 1 2 . 1 1 360 360 ARG N N 360 122.263 122.263 121.211 1.052 25829 561 1 2 . 1 1 360 360 ARG HA H 360 2.995 2.995 3.224 -0.229 25829 562 1 2 . 1 1 360 360 ARG CA C 360 58.797 58.797 58.982 -0.185 25829 563 1 2 . 1 1 360 360 ARG CB C 360 28.650 28.650 29.247 -0.597 25829 564 1 2 . 1 1 360 360 ARG H H 360 6.341 6.341 6.412 -0.071 25829 565 1 2 . 1 1 361 361 HIS N N 361 120.604 120.604 118.509 2.095 25829 566 1 2 . 1 1 361 361 HIS HA H 361 4.379 4.379 4.201 0.178 25829 567 1 2 . 1 1 361 361 HIS CA C 361 57.124 57.124 59.073 -1.949 25829 568 1 2 . 1 1 361 361 HIS CB C 361 29.551 29.551 29.896 -0.345 25829 569 1 2 . 1 1 361 361 HIS H H 361 7.370 7.370 7.617 -0.247 25829 570 1 2 . 1 1 362 362 LEU N N 362 120.734 120.734 120.122 0.612 25829 571 1 2 . 1 1 362 362 LEU HA H 362 3.750 3.750 3.880 -0.130 25829 572 1 2 . 1 1 362 362 LEU CA C 362 57.153 57.153 57.671 -0.518 25829 573 1 2 . 1 1 362 362 LEU CB C 362 40.886 40.886 41.753 -0.867 25829 574 1 2 . 1 1 362 362 LEU H H 362 8.365 8.365 7.660 0.705 25829 575 1 2 . 1 1 363 363 ALA N N 363 118.919 118.919 120.449 -1.530 25829 576 1 2 . 1 1 363 363 ALA HA H 363 3.824 3.824 3.904 -0.080 25829 577 1 2 . 1 1 363 363 ALA CA C 363 54.910 54.910 55.422 -0.512 25829 578 1 2 . 1 1 363 363 ALA CB C 363 18.000 18.000 17.982 0.018 25829 579 1 2 . 1 1 363 363 ALA H H 363 8.384 8.384 8.450 -0.066 25829 580 1 2 . 1 1 364 364 GLY N N 364 103.970 103.970 106.012 -2.042 25829 581 1 2 . 1 1 364 364 GLY CA C 364 46.452 46.452 47.147 -0.695 25829 582 1 2 . 1 1 364 364 GLY H H 364 7.679 7.679 7.783 -0.104 25829 583 1 2 . 1 1 365 365 GLU N N 365 122.387 122.387 120.195 2.192 25829 584 1 2 . 1 1 365 365 GLU HA H 365 4.250 4.250 4.337 -0.087 25829 585 1 2 . 1 1 365 365 GLU CA C 365 57.100 57.100 56.861 0.239 25829 586 1 2 . 1 1 365 365 GLU CB C 365 29.043 29.043 29.415 -0.372 25829 587 1 2 . 1 1 365 365 GLU H H 365 7.724 7.724 7.691 0.033 25829 588 1 2 . 1 1 366 366 LEU N N 366 117.748 117.748 118.764 -1.016 25829 589 1 2 . 1 1 366 366 LEU HA H 366 4.329 4.329 4.251 0.078 25829 590 1 2 . 1 1 366 366 LEU CA C 366 53.898 53.898 54.951 -1.053 25829 591 1 2 . 1 1 366 366 LEU CB C 366 40.569 40.569 42.132 -1.563 25829 592 1 2 . 1 1 366 366 LEU H H 366 7.813 7.813 8.001 -0.188 25829 593 1 2 . 1 1 367 367 GLY N N 367 105.744 105.744 105.298 0.446 25829 594 1 2 . 1 1 367 367 GLY CA C 367 44.900 44.900 45.151 -0.251 25829 595 1 2 . 1 1 367 367 GLY H H 367 7.636 7.636 7.309 0.327 25829 596 1 2 . 1 1 368 368 TYR N N 368 119.550 119.550 120.186 -0.636 25829 597 1 2 . 1 1 368 368 TYR HA H 368 4.450 4.450 4.250 0.201 25829 598 1 2 . 1 1 368 368 TYR CA C 368 58.960 58.960 59.231 -0.272 25829 599 1 2 . 1 1 368 368 TYR CB C 368 37.990 37.990 39.080 -1.090 25829 600 1 2 . 1 1 368 368 TYR H H 368 7.958 7.958 7.885 0.073 25829 601 1 2 . 1 1 369 369 GLN N N 369 123.108 123.108 123.825 -0.717 25829 602 1 2 . 1 1 369 369 GLN HA H 369 4.600 4.600 4.413 0.187 25829 603 1 2 . 1 1 369 369 GLN CA C 369 53.400 53.400 55.430 -2.030 25829 604 1 2 . 1 1 369 369 GLN CB C 369 27.110 27.110 28.787 -1.677 25829 605 1 2 . 1 1 369 369 GLN H H 369 9.767 9.767 8.560 1.207 25829 606 1 2 . 1 1 370 370 PRO HA H 370 4.057 4.057 4.298 -0.241 25829 607 1 2 . 1 1 370 370 PRO CA C 370 66.262 66.262 65.496 0.766 25829 608 1 2 . 1 1 370 370 PRO CB C 370 31.384 31.384 31.884 -0.499 25829 609 1 2 . 1 1 371 371 GLU N N 371 116.204 116.204 117.679 -1.475 25829 610 1 2 . 1 1 371 371 GLU HA H 371 4.111 4.111 4.088 0.023 25829 611 1 2 . 1 1 371 371 GLU CA C 371 58.661 58.661 59.228 -0.567 25829 612 1 2 . 1 1 371 371 GLU CB C 371 27.741 27.741 28.646 -0.905 25829 613 1 2 . 1 1 371 371 GLU H H 371 9.493 9.493 9.162 0.331 25829 614 1 2 . 1 1 372 372 HIS N N 372 120.310 120.310 119.236 1.074 25829 615 1 2 . 1 1 372 372 HIS HA H 372 4.425 4.425 4.203 0.222 25829 616 1 2 . 1 1 372 372 HIS CA C 372 57.070 57.070 59.211 -2.141 25829 617 1 2 . 1 1 372 372 HIS CB C 372 31.818 31.818 30.271 1.547 25829 618 1 2 . 1 1 372 372 HIS H H 372 7.424 7.424 7.755 -0.331 25829 619 1 2 . 1 1 373 373 ILE N N 373 120.390 120.390 120.755 -0.365 25829 620 1 2 . 1 1 373 373 ILE HA H 373 3.708 3.708 4.096 -0.388 25829 621 1 2 . 1 1 373 373 ILE CA C 373 65.480 65.480 65.903 -0.423 25829 622 1 2 . 1 1 373 373 ILE CB C 373 37.329 37.329 37.845 -0.516 25829 623 1 2 . 1 1 373 373 ILE H H 373 7.950 7.950 7.776 0.174 25829 624 1 2 . 1 1 374 374 ASP N N 374 117.990 117.990 120.225 -2.235 25829 625 1 2 . 1 1 374 374 ASP HA H 374 4.508 4.508 4.519 -0.011 25829 626 1 2 . 1 1 374 374 ASP CA C 374 56.504 56.504 57.157 -0.653 25829 627 1 2 . 1 1 374 374 ASP CB C 374 40.175 40.175 40.473 -0.298 25829 628 1 2 . 1 1 374 374 ASP H H 374 8.142 8.142 8.121 0.021 25829 629 1 2 . 1 1 375 375 SER N N 375 115.373 115.373 115.273 0.100 25829 630 1 2 . 1 1 375 375 SER HA H 375 4.207 4.207 4.236 -0.029 25829 631 1 2 . 1 1 375 375 SER CA C 375 60.962 60.962 60.945 0.017 25829 632 1 2 . 1 1 375 375 SER CB C 375 61.999 61.999 63.129 -1.130 25829 633 1 2 . 1 1 375 375 SER H H 375 7.485 7.485 7.675 -0.190 25829 634 1 2 . 1 1 376 376 PHE N N 376 120.335 120.335 119.732 0.603 25829 635 1 2 . 1 1 376 376 PHE HA H 376 4.503 4.503 4.423 0.080 25829 636 1 2 . 1 1 376 376 PHE CA C 376 58.170 58.170 59.178 -1.008 25829 637 1 2 . 1 1 376 376 PHE CB C 376 37.729 37.729 38.863 -1.134 25829 638 1 2 . 1 1 376 376 PHE H H 376 7.787 7.787 8.179 -0.392 25829 639 1 2 . 1 1 377 377 THR N N 377 110.175 110.175 112.810 -2.635 25829 640 1 2 . 1 1 377 377 THR HA H 377 3.908 3.908 4.406 -0.498 25829 641 1 2 . 1 1 377 377 THR CA C 377 64.888 64.888 65.426 -0.538 25829 642 1 2 . 1 1 377 377 THR CB C 377 68.990 68.990 68.816 0.174 25829 643 1 2 . 1 1 377 377 THR H H 377 7.777 7.777 8.653 -0.876 25829 644 1 2 . 1 1 378 378 HIS N N 378 116.164 116.164 118.667 -2.503 25829 645 1 2 . 1 1 378 378 HIS HA H 378 4.630 4.630 4.766 -0.136 25829 646 1 2 . 1 1 378 378 HIS CA C 378 55.189 55.189 55.495 -0.306 25829 647 1 2 . 1 1 378 378 HIS CB C 378 28.700 28.700 30.488 -1.788 25829 648 1 2 . 1 1 378 378 HIS H H 378 7.473 7.473 8.005 -0.532 25829 649 1 2 . 1 1 379 379 GLU N N 379 119.465 119.465 120.019 -0.554 25829 650 1 2 . 1 1 379 379 GLU HA H 379 4.194 4.194 4.421 -0.227 25829 651 1 2 . 1 1 379 379 GLU CA C 379 54.632 54.632 54.968 -0.336 25829 652 1 2 . 1 1 379 379 GLU CB C 379 29.247 29.247 31.099 -1.852 25829 653 1 2 . 1 1 379 379 GLU H H 379 7.229 7.229 7.645 -0.416 25829 654 1 2 . 1 1 380 380 ALA N N 380 123.121 123.121 127.268 -4.147 25829 655 1 2 . 1 1 380 380 ALA HA H 380 3.983 3.983 4.298 -0.315 25829 656 1 2 . 1 1 380 380 ALA CA C 380 54.134 54.134 53.278 0.856 25829 657 1 2 . 1 1 380 380 ALA CB C 380 17.480 17.480 19.402 -1.923 25829 658 1 2 . 1 1 380 380 ALA H H 380 8.624 8.624 8.473 0.151 25829 659 1 2 . 1 1 381 381 CYS N N 381 114.618 114.618 117.603 -2.985 25829 660 1 2 . 1 1 381 381 CYS HA H 381 4.650 4.650 4.875 -0.225 25829 661 1 2 . 1 1 381 381 CYS CA C 381 54.700 54.700 56.055 -1.355 25829 662 1 2 . 1 1 381 381 CYS CB C 381 26.580 26.580 28.333 -1.753 25829 663 1 2 . 1 1 381 381 CYS H H 381 7.962 7.962 8.013 -0.051 25829 664 1 2 . 1 1 382 382 PRO HA H 382 3.530 3.530 3.972 -0.442 25829 665 1 2 . 1 1 382 382 PRO CA C 382 65.150 65.150 65.119 0.031 25829 666 1 2 . 1 1 382 382 PRO CB C 382 30.400 30.400 31.001 -0.601 25829 667 1 2 . 1 1 383 383 VAL N N 383 114.288 114.288 118.826 -4.538 25829 668 1 2 . 1 1 383 383 VAL HA H 383 3.250 3.250 3.500 -0.250 25829 669 1 2 . 1 1 383 383 VAL CA C 383 65.300 65.300 65.179 0.121 25829 670 1 2 . 1 1 383 383 VAL CB C 383 30.489 30.489 31.468 -0.979 25829 671 1 2 . 1 1 383 383 VAL H H 383 7.935 7.935 7.644 0.291 25829 672 1 2 . 1 1 384 384 ARG N N 384 120.700 120.700 120.072 0.628 25829 673 1 2 . 1 1 384 384 ARG HA H 384 3.782 3.782 3.913 -0.131 25829 674 1 2 . 1 1 384 384 ARG CA C 384 58.700 58.700 59.415 -0.715 25829 675 1 2 . 1 1 384 384 ARG CB C 384 29.545 29.545 29.600 -0.055 25829 676 1 2 . 1 1 384 384 ARG H H 384 7.253 7.253 7.438 -0.185 25829 677 1 2 . 1 1 385 385 ALA N N 385 121.849 121.849 122.698 -0.849 25829 678 1 2 . 1 1 385 385 ALA HA H 385 4.010 4.010 4.063 -0.053 25829 679 1 2 . 1 1 385 385 ALA CA C 385 54.015 54.015 54.861 -0.846 25829 680 1 2 . 1 1 385 385 ALA CB C 385 17.600 17.600 18.259 -0.659 25829 681 1 2 . 1 1 385 385 ALA H H 385 7.371 7.371 7.295 0.076 25829 682 1 2 . 1 1 386 386 LEU N N 386 120.978 120.978 120.017 0.961 25829 683 1 2 . 1 1 386 386 LEU HA H 386 2.817 2.817 3.578 -0.761 25829 684 1 2 . 1 1 386 386 LEU CA C 386 56.800 56.800 57.722 -0.922 25829 685 1 2 . 1 1 386 386 LEU CB C 386 40.600 40.600 41.743 -1.143 25829 686 1 2 . 1 1 386 386 LEU H H 386 7.999 7.999 8.066 -0.067 25829 687 1 2 . 1 1 387 387 LEU N N 387 117.377 117.377 118.334 -0.957 25829 688 1 2 . 1 1 387 387 LEU HA H 387 4.040 4.040 3.974 0.066 25829 689 1 2 . 1 1 387 387 LEU CA C 387 57.390 57.390 57.797 -0.407 25829 690 1 2 . 1 1 387 387 LEU CB C 387 40.200 40.200 41.550 -1.350 25829 691 1 2 . 1 1 387 387 LEU H H 387 7.973 7.973 7.735 0.238 25829 692 1 2 . 1 1 388 388 ALA N N 388 120.700 120.700 122.799 -2.099 25829 693 1 2 . 1 1 388 388 ALA HA H 388 4.110 4.110 3.979 0.131 25829 694 1 2 . 1 1 388 388 ALA CA C 388 54.162 54.162 55.310 -1.148 25829 695 1 2 . 1 1 388 388 ALA CB C 388 17.437 17.437 18.253 -0.816 25829 696 1 2 . 1 1 388 388 ALA H H 388 8.086 8.086 8.313 -0.227 25829 697 1 2 . 1 1 389 389 SER N N 389 111.963 111.963 113.874 -1.911 25829 698 1 2 . 1 1 389 389 SER HA H 389 4.386 4.386 4.425 -0.039 25829 699 1 2 . 1 1 389 389 SER CA C 389 59.878 59.878 60.719 -0.841 25829 700 1 2 . 1 1 389 389 SER CB C 389 62.639 62.639 63.625 -0.986 25829 701 1 2 . 1 1 389 389 SER H H 389 7.446 7.446 8.248 -0.802 25829 702 1 2 . 1 1 390 390 TRP N N 390 125.600 125.600 123.569 2.031 25829 703 1 2 . 1 1 390 390 TRP HA H 390 4.319 4.319 4.630 -0.311 25829 704 1 2 . 1 1 390 390 TRP CA C 390 60.946 60.946 60.823 0.123 25829 705 1 2 . 1 1 390 390 TRP CB C 390 27.482 27.482 29.817 -2.335 25829 706 1 2 . 1 1 390 390 TRP H H 390 9.032 9.032 8.399 0.633 25829 707 1 2 . 1 1 391 391 ALA N N 391 114.481 114.481 119.855 -5.374 25829 708 1 2 . 1 1 391 391 ALA HA H 391 3.583 3.583 4.141 -0.558 25829 709 1 2 . 1 1 391 391 ALA CA C 391 52.859 52.859 54.196 -1.337 25829 710 1 2 . 1 1 391 391 ALA CB C 391 18.590 18.590 18.622 -0.032 25829 711 1 2 . 1 1 391 391 ALA H H 391 8.312 8.312 8.055 0.257 25829 712 1 2 . 1 1 392 392 THR N N 392 106.369 106.369 110.823 -4.454 25829 713 1 2 . 1 1 392 392 THR HA H 392 4.196 4.196 4.170 0.026 25829 714 1 2 . 1 1 392 392 THR CA C 392 62.128 62.128 63.438 -1.310 25829 715 1 2 . 1 1 392 392 THR CB C 392 69.100 69.100 68.296 0.804 25829 716 1 2 . 1 1 392 392 THR H H 392 7.238 7.238 7.710 -0.472 25829 717 1 2 . 1 1 393 393 GLN N N 393 121.193 121.193 120.334 0.859 25829 718 1 2 . 1 1 393 393 GLN HA H 393 4.295 4.295 4.622 -0.327 25829 719 1 2 . 1 1 393 393 GLN CA C 393 54.971 54.971 54.487 0.484 25829 720 1 2 . 1 1 393 393 GLN CB C 393 29.130 29.130 31.631 -2.501 25829 721 1 2 . 1 1 393 393 GLN H H 393 7.701 7.701 7.368 0.333 25829 722 1 2 . 1 1 394 394 ASP N N 394 121.430 121.430 122.236 -0.806 25829 723 1 2 . 1 1 394 394 ASP HA H 394 4.260 4.260 4.319 -0.059 25829 724 1 2 . 1 1 394 394 ASP CA C 394 55.700 55.700 56.413 -0.713 25829 725 1 2 . 1 1 394 394 ASP CB C 394 39.700 39.700 40.468 -0.768 25829 726 1 2 . 1 1 394 394 ASP H H 394 8.623 8.623 8.730 -0.107 25829 727 1 2 . 1 1 395 395 SER N N 395 108.500 108.500 113.987 -5.487 25829 728 1 2 . 1 1 395 395 SER HA H 395 4.293 4.293 4.215 0.078 25829 729 1 2 . 1 1 395 395 SER CA C 395 56.340 56.340 58.847 -2.507 25829 730 1 2 . 1 1 395 395 SER CB C 395 62.319 62.319 63.109 -0.790 25829 731 1 2 . 1 1 395 395 SER H H 395 7.437 7.437 7.859 -0.422 25829 732 1 2 . 1 1 396 396 ALA N N 396 127.500 127.500 124.649 2.851 25829 733 1 2 . 1 1 396 396 ALA HA H 396 3.974 3.974 2.046 1.929 25829 734 1 2 . 1 1 396 396 ALA CA C 396 51.617 51.617 50.556 1.061 25829 735 1 2 . 1 1 396 396 ALA CB C 396 15.670 15.670 16.954 -1.284 25829 736 1 2 . 1 1 396 396 ALA H H 396 7.077 7.077 7.221 -0.144 25829 737 1 2 . 1 1 397 397 THR N N 397 115.344 115.344 111.780 3.564 25829 738 1 2 . 1 1 397 397 THR HA H 397 4.760 4.760 4.519 0.241 25829 739 1 2 . 1 1 397 397 THR CA C 397 58.900 58.900 61.550 -2.651 25829 740 1 2 . 1 1 397 397 THR CB C 397 70.600 70.600 70.989 -0.389 25829 741 1 2 . 1 1 397 397 THR H H 397 7.802 7.802 7.536 0.266 25829 742 1 2 . 1 1 398 398 LEU N N 398 122.107 122.107 124.852 -2.745 25829 743 1 2 . 1 1 398 398 LEU HA H 398 4.402 4.402 4.072 0.330 25829 744 1 2 . 1 1 398 398 LEU CA C 398 57.949 57.949 58.942 -0.993 25829 745 1 2 . 1 1 398 398 LEU CB C 398 40.435 40.435 41.769 -1.333 25829 746 1 2 . 1 1 398 398 LEU H H 398 8.686 8.686 9.172 -0.486 25829 747 1 2 . 1 1 399 399 ASP N N 399 116.774 116.774 118.541 -1.767 25829 748 1 2 . 1 1 399 399 ASP HA H 399 4.340 4.340 4.256 0.084 25829 749 1 2 . 1 1 399 399 ASP CA C 399 57.209 57.209 57.838 -0.629 25829 750 1 2 . 1 1 399 399 ASP CB C 399 39.800 39.800 40.226 -0.426 25829 751 1 2 . 1 1 399 399 ASP H H 399 8.592 8.592 8.570 0.022 25829 752 1 2 . 1 1 400 400 ALA N N 400 123.457 123.457 122.709 0.748 25829 753 1 2 . 1 1 400 400 ALA HA H 400 4.265 4.265 4.258 0.007 25829 754 1 2 . 1 1 400 400 ALA CA C 400 54.429 54.429 55.033 -0.604 25829 755 1 2 . 1 1 400 400 ALA CB C 400 17.800 17.800 18.679 -0.879 25829 756 1 2 . 1 1 400 400 ALA H H 400 8.285 8.285 8.208 0.077 25829 757 1 2 . 1 1 401 401 LEU N N 401 121.963 121.963 120.681 1.282 25829 758 1 2 . 1 1 401 401 LEU HA H 401 3.774 3.774 3.876 -0.102 25829 759 1 2 . 1 1 401 401 LEU CA C 401 57.306 57.306 58.055 -0.749 25829 760 1 2 . 1 1 401 401 LEU CB C 401 40.560 40.560 42.222 -1.662 25829 761 1 2 . 1 1 401 401 LEU H H 401 7.952 7.952 8.244 -0.292 25829 762 1 2 . 1 1 402 402 LEU N N 402 117.440 117.440 118.115 -0.675 25829 763 1 2 . 1 1 402 402 LEU HA H 402 3.837 3.837 3.892 -0.055 25829 764 1 2 . 1 1 402 402 LEU CA C 402 57.400 57.400 57.908 -0.508 25829 765 1 2 . 1 1 402 402 LEU CB C 402 39.700 39.700 41.484 -1.784 25829 766 1 2 . 1 1 402 402 LEU H H 402 8.633 8.633 8.655 -0.022 25829 767 1 2 . 1 1 403 403 ALA N N 403 119.971 119.971 120.993 -1.022 25829 768 1 2 . 1 1 403 403 ALA HA H 403 3.993 3.993 4.021 -0.028 25829 769 1 2 . 1 1 403 403 ALA CA C 403 54.500 54.500 54.891 -0.391 25829 770 1 2 . 1 1 403 403 ALA CB C 403 17.200 17.200 18.136 -0.936 25829 771 1 2 . 1 1 403 403 ALA H H 403 8.132 8.132 7.801 0.331 25829 772 1 2 . 1 1 404 404 ALA N N 404 121.297 121.297 121.707 -0.410 25829 773 1 2 . 1 1 404 404 ALA HA H 404 3.815 3.815 3.982 -0.167 25829 774 1 2 . 1 1 404 404 ALA CA C 404 54.800 54.800 54.855 -0.055 25829 775 1 2 . 1 1 404 404 ALA CB C 404 18.100 18.100 18.382 -0.282 25829 776 1 2 . 1 1 404 404 ALA H H 404 7.610 7.610 8.078 -0.468 25829 777 1 2 . 1 1 405 405 LEU N N 405 116.480 116.480 116.651 -0.171 25829 778 1 2 . 1 1 405 405 LEU HA H 405 3.853 3.853 3.942 -0.089 25829 779 1 2 . 1 1 405 405 LEU CA C 405 56.591 56.591 57.870 -1.279 25829 780 1 2 . 1 1 405 405 LEU CB C 405 41.000 41.000 41.162 -0.162 25829 781 1 2 . 1 1 405 405 LEU H H 405 8.009 8.009 8.307 -0.298 25829 782 1 2 . 1 1 406 406 ARG N N 406 118.300 118.300 117.828 0.472 25829 783 1 2 . 1 1 406 406 ARG HA H 406 3.804 3.804 4.063 -0.259 25829 784 1 2 . 1 1 406 406 ARG CA C 406 59.650 59.650 59.633 0.017 25829 785 1 2 . 1 1 406 406 ARG CB C 406 29.300 29.300 29.872 -0.572 25829 786 1 2 . 1 1 406 406 ARG H H 406 7.983 7.983 7.591 0.392 25829 787 1 2 . 1 1 407 407 ARG N N 407 120.307 120.307 119.901 0.406 25829 788 1 2 . 1 1 407 407 ARG HA H 407 4.085 4.085 4.152 -0.067 25829 789 1 2 . 1 1 407 407 ARG CA C 407 59.552 59.552 58.151 1.401 25829 790 1 2 . 1 1 407 407 ARG CB C 407 29.700 29.700 29.176 0.524 25829 791 1 2 . 1 1 407 407 ARG H H 407 7.916 7.916 7.545 0.371 25829 792 1 2 . 1 1 408 408 ILE N N 408 110.637 110.637 112.816 -2.179 25829 793 1 2 . 1 1 408 408 ILE HA H 408 4.530 4.530 4.258 0.272 25829 794 1 2 . 1 1 408 408 ILE CA C 408 60.500 60.500 61.226 -0.726 25829 795 1 2 . 1 1 408 408 ILE CB C 408 36.148 36.148 37.296 -1.148 25829 796 1 2 . 1 1 408 408 ILE H H 408 7.274 7.274 7.392 -0.118 25829 797 1 2 . 1 1 409 409 GLN N N 409 113.647 113.647 116.683 -3.036 25829 798 1 2 . 1 1 409 409 GLN HA H 409 3.962 3.962 4.046 -0.084 25829 799 1 2 . 1 1 409 409 GLN CA C 409 56.289 56.289 57.382 -1.093 25829 800 1 2 . 1 1 409 409 GLN CB C 409 24.550 24.550 26.135 -1.585 25829 801 1 2 . 1 1 409 409 GLN H H 409 7.714 7.714 7.854 -0.140 25829 802 1 2 . 1 1 410 410 ARG N N 410 117.152 117.152 114.639 2.513 25829 803 1 2 . 1 1 410 410 ARG HA H 410 5.039 5.039 4.886 0.153 25829 804 1 2 . 1 1 410 410 ARG CA C 410 50.920 50.920 55.013 -4.093 25829 805 1 2 . 1 1 410 410 ARG CB C 410 26.600 26.600 30.412 -3.812 25829 806 1 2 . 1 1 410 410 ARG H H 410 8.029 8.029 7.981 0.048 25829 807 1 2 . 1 1 411 411 ALA N N 411 123.065 123.065 123.843 -0.778 25829 808 1 2 . 1 1 411 411 ALA HA H 411 3.854 3.854 3.970 -0.116 25829 809 1 2 . 1 1 411 411 ALA CA C 411 54.287 54.287 53.919 0.367 25829 810 1 2 . 1 1 411 411 ALA CB C 411 17.691 17.691 18.400 -0.709 25829 811 1 2 . 1 1 411 411 ALA H H 411 8.121 8.121 8.185 -0.064 25829 812 1 2 . 1 1 412 412 ASP N N 412 116.575 116.575 119.518 -2.943 25829 813 1 2 . 1 1 412 412 ASP HA H 412 4.251 4.251 4.219 0.032 25829 814 1 2 . 1 1 412 412 ASP CA C 412 55.566 55.566 56.642 -1.076 25829 815 1 2 . 1 1 412 412 ASP CB C 412 38.000 38.000 39.688 -1.688 25829 816 1 2 . 1 1 412 412 ASP H H 412 8.916 8.916 8.203 0.713 25829 817 1 2 . 1 1 413 413 LEU N N 413 120.881 120.881 120.489 0.392 25829 818 1 2 . 1 1 413 413 LEU HA H 413 4.134 4.134 4.093 0.041 25829 819 1 2 . 1 1 413 413 LEU CA C 413 56.251 56.251 56.940 -0.689 25829 820 1 2 . 1 1 413 413 LEU CB C 413 41.190 41.190 42.041 -0.851 25829 821 1 2 . 1 1 413 413 LEU H H 413 7.497 7.497 7.428 0.069 25829 822 1 2 . 1 1 414 414 VAL N N 414 117.403 117.403 119.203 -1.800 25829 823 1 2 . 1 1 414 414 VAL HA H 414 3.475 3.475 3.571 -0.096 25829 824 1 2 . 1 1 414 414 VAL CA C 414 65.682 65.682 66.602 -0.920 25829 825 1 2 . 1 1 414 414 VAL CB C 414 31.000 31.000 31.291 -0.291 25829 826 1 2 . 1 1 414 414 VAL H H 414 7.158 7.158 7.838 -0.680 25829 827 1 2 . 1 1 415 415 GLU N N 415 118.645 118.645 120.280 -1.635 25829 828 1 2 . 1 1 415 415 GLU HA H 415 3.957 3.957 3.941 0.016 25829 829 1 2 . 1 1 415 415 GLU CA C 415 58.698 58.698 59.930 -1.232 25829 830 1 2 . 1 1 415 415 GLU CB C 415 28.535 28.535 29.378 -0.843 25829 831 1 2 . 1 1 415 415 GLU H H 415 8.023 8.023 7.789 0.234 25829 832 1 2 . 1 1 416 416 SER N N 416 113.570 113.570 114.638 -1.068 25829 833 1 2 . 1 1 416 416 SER HA H 416 4.230 4.230 4.218 0.012 25829 834 1 2 . 1 1 416 416 SER CA C 416 60.774 60.774 61.591 -0.817 25829 835 1 2 . 1 1 416 416 SER CB C 416 62.641 62.641 63.375 -0.734 25829 836 1 2 . 1 1 416 416 SER H H 416 7.668 7.668 7.523 0.145 25829 837 1 2 . 1 1 417 417 LEU N N 417 120.278 120.278 120.970 -0.692 25829 838 1 2 . 1 1 417 417 LEU HA H 417 4.220 4.220 4.215 0.005 25829 839 1 2 . 1 1 417 417 LEU CA C 417 55.974 55.974 56.791 -0.817 25829 840 1 2 . 1 1 417 417 LEU CB C 417 42.477 42.477 42.147 0.330 25829 841 1 2 . 1 1 417 417 LEU H H 417 7.727 7.727 7.489 0.238 25829 842 1 2 . 1 1 418 418 CYS N N 418 116.200 116.200 119.950 -3.750 25829 843 1 2 . 1 1 418 418 CYS HA H 418 4.490 4.490 3.935 0.555 25829 844 1 2 . 1 1 418 418 CYS CA C 418 59.010 59.010 63.579 -4.569 25829 845 1 2 . 1 1 418 418 CYS CB C 418 27.300 27.300 26.929 0.371 25829 846 1 2 . 1 1 418 418 CYS H H 418 7.855 7.855 8.843 -0.988 25829 847 1 2 . 1 1 419 419 SER N N 419 116.680 116.680 115.612 1.068 25829 848 1 2 . 1 1 419 419 SER HA H 419 4.402 4.402 4.137 0.265 25829 849 1 2 . 1 1 419 419 SER CA C 419 58.284 58.284 61.423 -3.139 25829 850 1 2 . 1 1 419 419 SER CB C 419 63.179 63.179 62.842 0.337 25829 851 1 2 . 1 1 419 419 SER H H 419 7.813 7.813 8.001 -0.188 25829 852 1 2 . 1 1 420 420 GLU N N 420 122.629 122.629 119.666 2.963 25829 853 1 2 . 1 1 420 420 GLU HA H 420 4.338 4.338 4.328 0.010 25829 854 1 2 . 1 1 420 420 GLU CA C 420 56.021 56.021 56.839 -0.818 25829 855 1 2 . 1 1 420 420 GLU CB C 420 29.569 29.569 29.884 -0.315 25829 856 1 2 . 1 1 420 420 GLU H H 420 8.456 8.456 7.723 0.733 25829 857 1 2 . 1 1 421 421 SER N N 421 116.600 116.600 112.800 3.800 25829 858 1 2 . 1 1 421 421 SER HA H 421 4.470 4.470 4.277 0.193 25829 859 1 2 . 1 1 421 421 SER CA C 421 57.800 57.800 60.253 -2.453 25829 860 1 2 . 1 1 421 421 SER CB C 421 63.180 63.180 63.810 -0.630 25829 861 1 2 . 1 1 421 421 SER H H 421 8.321 8.321 7.774 0.547 25829 862 1 2 . 1 1 422 422 THR N N 422 115.756 115.756 113.734 2.022 25829 863 1 2 . 1 1 422 422 THR HA H 422 4.331 4.331 3.980 0.351 25829 864 1 2 . 1 1 422 422 THR CA C 422 61.100 61.100 63.813 -2.713 25829 865 1 2 . 1 1 422 422 THR CB C 422 69.000 69.000 66.572 2.428 25829 866 1 2 . 1 1 422 422 THR H H 422 8.144 8.144 8.233 -0.089 25829 867 1 2 . 1 1 423 423 ALA N N 423 126.280 126.280 123.331 2.949 25829 868 1 2 . 1 1 423 423 ALA HA H 423 4.369 4.369 4.153 0.216 25829 869 1 2 . 1 1 423 423 ALA CA C 423 52.060 52.060 53.621 -1.561 25829 870 1 2 . 1 1 423 423 ALA CB C 423 18.600 18.600 19.765 -1.165 25829 871 1 2 . 1 1 423 423 ALA H H 423 8.233 8.233 8.317 -0.084 25829 872 1 2 . 1 1 424 424 THR N N 424 113.047 113.047 113.344 -0.297 25829 873 1 2 . 1 1 424 424 THR HA H 424 4.316 4.316 4.539 -0.223 25829 874 1 2 . 1 1 424 424 THR CA C 424 60.990 60.990 61.492 -0.502 25829 875 1 2 . 1 1 424 424 THR CB C 424 69.200 69.200 71.629 -2.429 25829 876 1 2 . 1 1 424 424 THR H H 424 8.061 8.061 7.705 0.356 25829 877 1 2 . 1 1 425 425 SER N N 425 119.479 119.479 117.960 1.519 25829 878 1 2 . 1 1 425 425 SER HA H 425 4.755 4.755 4.907 -0.152 25829 879 1 2 . 1 1 425 425 SER CA C 425 55.720 55.720 56.113 -0.393 25829 880 1 2 . 1 1 425 425 SER CB C 425 62.800 62.800 63.409 -0.609 25829 881 1 2 . 1 1 425 425 SER H H 425 8.215 8.215 8.516 -0.301 25829 882 1 2 . 1 1 426 426 PRO HA H 426 4.461 4.461 4.439 0.022 25829 883 1 2 . 1 1 426 426 PRO CA C 426 62.851 62.851 64.092 -1.241 25829 884 1 2 . 1 1 426 426 PRO CB C 426 31.308 31.308 32.162 -0.854 25829 885 1 3 . 1 1 335 335 LEU N N 335 120.860 120.860 123.998 -3.138 25829 886 1 3 . 1 1 335 335 LEU HA H 335 4.203 4.203 4.549 -0.346 25829 887 1 3 . 1 1 335 335 LEU CA C 335 54.890 54.890 54.184 0.706 25829 888 1 3 . 1 1 335 335 LEU CB C 335 40.860 40.860 43.789 -2.929 25829 889 1 3 . 1 1 335 335 LEU H H 335 8.289 8.289 8.460 -0.171 25829 890 1 3 . 1 1 336 336 TYR N N 336 127.150 127.150 124.200 2.950 25829 891 1 3 . 1 1 336 336 TYR HA H 336 4.042 4.042 4.228 -0.186 25829 892 1 3 . 1 1 336 336 TYR CA C 336 61.360 61.360 61.289 0.071 25829 893 1 3 . 1 1 336 336 TYR CB C 336 38.768 38.768 39.126 -0.358 25829 894 1 3 . 1 1 336 336 TYR H H 336 9.027 9.027 9.168 -0.141 25829 895 1 3 . 1 1 337 337 SER N N 337 111.560 111.560 112.543 -0.983 25829 896 1 3 . 1 1 337 337 SER HA H 337 3.926 3.926 4.118 -0.192 25829 897 1 3 . 1 1 337 337 SER CA C 337 59.251 59.251 60.227 -0.976 25829 898 1 3 . 1 1 337 337 SER CB C 337 62.235 62.235 62.611 -0.376 25829 899 1 3 . 1 1 337 337 SER H H 337 9.318 9.318 8.553 0.765 25829 900 1 3 . 1 1 338 338 SER N N 338 115.800 115.800 116.140 -0.340 25829 901 1 3 . 1 1 338 338 SER HA H 338 4.465 4.465 4.341 0.124 25829 902 1 3 . 1 1 338 338 SER CA C 338 58.120 58.120 59.014 -0.894 25829 903 1 3 . 1 1 338 338 SER CB C 338 63.663 63.663 63.610 0.053 25829 904 1 3 . 1 1 338 338 SER H H 338 7.459 7.459 7.658 -0.199 25829 905 1 3 . 1 1 339 339 LEU N N 339 123.972 123.972 123.258 0.714 25829 906 1 3 . 1 1 339 339 LEU HA H 339 4.366 4.366 4.297 0.069 25829 907 1 3 . 1 1 339 339 LEU CA C 339 52.936 52.936 53.697 -0.760 25829 908 1 3 . 1 1 339 339 LEU CB C 339 40.889 40.889 41.123 -0.234 25829 909 1 3 . 1 1 339 339 LEU H H 339 7.520 7.520 7.209 0.311 25829 910 1 3 . 1 1 340 340 PRO HA H 340 4.723 4.723 4.657 0.066 25829 911 1 3 . 1 1 340 340 PRO CA C 340 60.800 60.800 61.509 -0.709 25829 912 1 3 . 1 1 340 340 PRO CB C 340 27.300 27.300 30.972 -3.672 25829 913 1 3 . 1 1 341 341 PRO HA H 341 3.971 3.971 4.190 -0.219 25829 914 1 3 . 1 1 341 341 PRO CA C 341 65.204 65.204 65.550 -0.346 25829 915 1 3 . 1 1 341 341 PRO CB C 341 31.100 31.100 31.510 -0.410 25829 916 1 3 . 1 1 342 342 ALA N N 342 117.460 117.460 121.870 -4.410 25829 917 1 3 . 1 1 342 342 ALA HA H 342 4.125 4.125 4.073 0.052 25829 918 1 3 . 1 1 342 342 ALA CA C 342 54.529 54.529 55.191 -0.663 25829 919 1 3 . 1 1 342 342 ALA CB C 342 17.700 17.700 18.209 -0.509 25829 920 1 3 . 1 1 342 342 ALA H H 342 8.625 8.625 8.386 0.239 25829 921 1 3 . 1 1 343 343 LYS N N 343 117.364 117.364 118.712 -1.348 25829 922 1 3 . 1 1 343 343 LYS HA H 343 4.295 4.295 4.006 0.289 25829 923 1 3 . 1 1 343 343 LYS CA C 343 56.167 56.167 59.114 -2.947 25829 924 1 3 . 1 1 343 343 LYS CB C 343 30.889 30.889 31.928 -1.039 25829 925 1 3 . 1 1 343 343 LYS H H 343 7.254 7.254 7.769 -0.515 25829 926 1 3 . 1 1 344 344 ARG N N 344 118.680 118.680 118.348 0.332 25829 927 1 3 . 1 1 344 344 ARG HA H 344 3.850 3.850 4.233 -0.383 25829 928 1 3 . 1 1 344 344 ARG CA C 344 59.660 59.660 59.327 0.333 25829 929 1 3 . 1 1 344 344 ARG CB C 344 29.300 29.300 30.154 -0.854 25829 930 1 3 . 1 1 344 344 ARG H H 344 7.410 7.410 7.604 -0.194 25829 931 1 3 . 1 1 345 345 GLU N N 345 118.035 118.035 119.161 -1.126 25829 932 1 3 . 1 1 345 345 GLU HA H 345 3.926 3.926 4.233 -0.307 25829 933 1 3 . 1 1 345 345 GLU CA C 345 58.720 58.720 59.356 -0.636 25829 934 1 3 . 1 1 345 345 GLU CB C 345 28.600 28.600 29.212 -0.612 25829 935 1 3 . 1 1 345 345 GLU H H 345 8.267 8.267 7.764 0.503 25829 936 1 3 . 1 1 346 346 GLU N N 346 119.810 119.810 119.935 -0.125 25829 937 1 3 . 1 1 346 346 GLU HA H 346 3.950 3.950 4.105 -0.155 25829 938 1 3 . 1 1 346 346 GLU CA C 346 59.000 59.000 59.337 -0.337 25829 939 1 3 . 1 1 346 346 GLU CB C 346 29.113 29.113 29.455 -0.342 25829 940 1 3 . 1 1 346 346 GLU H H 346 7.444 7.444 7.998 -0.554 25829 941 1 3 . 1 1 347 347 VAL N N 347 119.540 119.540 117.875 1.665 25829 942 1 3 . 1 1 347 347 VAL HA H 347 3.470 3.470 3.750 -0.280 25829 943 1 3 . 1 1 347 347 VAL CA C 347 66.267 66.267 66.935 -0.668 25829 944 1 3 . 1 1 347 347 VAL CB C 347 30.800 30.800 31.102 -0.302 25829 945 1 3 . 1 1 347 347 VAL H H 347 7.938 7.938 8.528 -0.590 25829 946 1 3 . 1 1 348 348 GLU N N 348 118.250 118.250 118.906 -0.656 25829 947 1 3 . 1 1 348 348 GLU HA H 348 3.513 3.513 4.175 -0.662 25829 948 1 3 . 1 1 348 348 GLU CA C 348 59.609 59.609 59.361 0.248 25829 949 1 3 . 1 1 348 348 GLU CB C 348 28.620 28.620 29.423 -0.803 25829 950 1 3 . 1 1 348 348 GLU H H 348 8.094 8.094 7.523 0.571 25829 951 1 3 . 1 1 349 349 LYS N N 349 118.860 118.860 120.089 -1.229 25829 952 1 3 . 1 1 349 349 LYS HA H 349 3.948 3.948 4.151 -0.203 25829 953 1 3 . 1 1 349 349 LYS CA C 349 59.000 59.000 58.618 0.382 25829 954 1 3 . 1 1 349 349 LYS CB C 349 31.809 31.809 32.375 -0.566 25829 955 1 3 . 1 1 349 349 LYS H H 349 8.319 8.319 8.282 0.037 25829 956 1 3 . 1 1 350 350 LEU N N 350 120.820 120.820 118.639 2.181 25829 957 1 3 . 1 1 350 350 LEU HA H 350 4.050 4.050 4.210 -0.160 25829 958 1 3 . 1 1 350 350 LEU CA C 350 56.954 56.954 57.840 -0.887 25829 959 1 3 . 1 1 350 350 LEU CB C 350 41.300 41.300 41.746 -0.446 25829 960 1 3 . 1 1 350 350 LEU H H 350 8.020 8.020 8.297 -0.277 25829 961 1 3 . 1 1 351 351 LEU N N 351 117.800 117.800 120.888 -3.088 25829 962 1 3 . 1 1 351 351 LEU HA H 351 4.020 4.020 3.888 0.132 25829 963 1 3 . 1 1 351 351 LEU CA C 351 56.700 56.700 57.990 -1.290 25829 964 1 3 . 1 1 351 351 LEU CB C 351 41.470 41.470 41.508 -0.038 25829 965 1 3 . 1 1 351 351 LEU H H 351 8.205 8.205 7.576 0.629 25829 966 1 3 . 1 1 352 352 ASN N N 352 118.847 118.847 116.944 1.903 25829 967 1 3 . 1 1 352 352 ASN HA H 352 4.487 4.487 4.621 -0.134 25829 968 1 3 . 1 1 352 352 ASN CA C 352 54.980 54.980 56.105 -1.125 25829 969 1 3 . 1 1 352 352 ASN CB C 352 38.660 38.660 38.547 0.113 25829 970 1 3 . 1 1 352 352 ASN H H 352 8.613 8.613 8.106 0.507 25829 971 1 3 . 1 1 353 353 GLY N N 353 104.836 104.836 106.397 -1.561 25829 972 1 3 . 1 1 353 353 GLY CA C 353 45.100 45.100 45.962 -0.862 25829 973 1 3 . 1 1 353 353 GLY H H 353 7.803 7.803 7.663 0.140 25829 974 1 3 . 1 1 354 354 SER N N 354 115.370 115.370 116.863 -1.493 25829 975 1 3 . 1 1 354 354 SER HA H 354 4.530 4.530 4.368 0.162 25829 976 1 3 . 1 1 354 354 SER CA C 354 58.317 58.317 59.451 -1.134 25829 977 1 3 . 1 1 354 354 SER CB C 354 63.678 63.678 64.436 -0.757 25829 978 1 3 . 1 1 354 354 SER H H 354 7.567 7.567 7.704 -0.137 25829 979 1 3 . 1 1 355 355 ALA N N 355 124.206 124.206 120.223 3.983 25829 980 1 3 . 1 1 355 355 ALA HA H 355 4.455 4.455 4.369 0.086 25829 981 1 3 . 1 1 355 355 ALA CA C 355 51.960 51.960 52.038 -0.078 25829 982 1 3 . 1 1 355 355 ALA CB C 355 18.545 18.545 19.300 -0.755 25829 983 1 3 . 1 1 355 355 ALA H H 355 8.334 8.334 7.882 0.452 25829 984 1 3 . 1 1 356 356 GLY N N 356 108.886 108.886 105.315 3.571 25829 985 1 3 . 1 1 356 356 GLY CA C 356 46.340 46.340 46.209 0.131 25829 986 1 3 . 1 1 356 356 GLY H H 356 8.613 8.613 8.745 -0.132 25829 987 1 3 . 1 1 357 357 ASP N N 357 119.161 119.161 116.449 2.712 25829 988 1 3 . 1 1 357 357 ASP HA H 357 4.490 4.490 4.391 0.099 25829 989 1 3 . 1 1 357 357 ASP CA C 357 53.700 53.700 53.112 0.588 25829 990 1 3 . 1 1 357 357 ASP CB C 357 39.418 39.418 40.240 -0.822 25829 991 1 3 . 1 1 357 357 ASP H H 357 8.534 8.534 7.895 0.639 25829 992 1 3 . 1 1 358 358 THR N N 358 116.000 116.000 116.417 -0.417 25829 993 1 3 . 1 1 358 358 THR HA H 358 3.855 3.855 3.800 0.055 25829 994 1 3 . 1 1 358 358 THR CA C 358 66.123 66.123 66.847 -0.723 25829 995 1 3 . 1 1 358 358 THR CB C 358 67.860 67.860 68.647 -0.787 25829 996 1 3 . 1 1 358 358 THR H H 358 7.864 7.864 8.138 -0.274 25829 997 1 3 . 1 1 359 359 TRP N N 359 118.670 118.670 119.751 -1.081 25829 998 1 3 . 1 1 359 359 TRP HA H 359 3.930 3.930 4.201 -0.271 25829 999 1 3 . 1 1 359 359 TRP CA C 359 59.500 59.500 58.744 0.756 25829 1000 1 3 . 1 1 359 359 TRP CB C 359 26.859 26.859 27.593 -0.735 25829 1001 1 3 . 1 1 359 359 TRP H H 359 8.287 8.287 8.258 0.029 25829 1002 1 3 . 1 1 360 360 ARG N N 360 122.263 122.263 120.196 2.067 25829 1003 1 3 . 1 1 360 360 ARG HA H 360 2.995 2.995 3.203 -0.208 25829 1004 1 3 . 1 1 360 360 ARG CA C 360 58.797 58.797 59.139 -0.342 25829 1005 1 3 . 1 1 360 360 ARG CB C 360 28.650 28.650 29.218 -0.568 25829 1006 1 3 . 1 1 360 360 ARG H H 360 6.341 6.341 6.738 -0.397 25829 1007 1 3 . 1 1 361 361 HIS N N 361 120.604 120.604 118.465 2.139 25829 1008 1 3 . 1 1 361 361 HIS HA H 361 4.379 4.379 4.222 0.157 25829 1009 1 3 . 1 1 361 361 HIS CA C 361 57.124 57.124 58.673 -1.549 25829 1010 1 3 . 1 1 361 361 HIS CB C 361 29.551 29.551 29.770 -0.219 25829 1011 1 3 . 1 1 361 361 HIS H H 361 7.370 7.370 7.521 -0.151 25829 1012 1 3 . 1 1 362 362 LEU N N 362 120.734 120.734 120.295 0.439 25829 1013 1 3 . 1 1 362 362 LEU HA H 362 3.750 3.750 3.904 -0.154 25829 1014 1 3 . 1 1 362 362 LEU CA C 362 57.153 57.153 57.593 -0.440 25829 1015 1 3 . 1 1 362 362 LEU CB C 362 40.886 40.886 41.810 -0.924 25829 1016 1 3 . 1 1 362 362 LEU H H 362 8.365 8.365 7.770 0.595 25829 1017 1 3 . 1 1 363 363 ALA N N 363 118.919 118.919 120.607 -1.688 25829 1018 1 3 . 1 1 363 363 ALA HA H 363 3.824 3.824 3.938 -0.114 25829 1019 1 3 . 1 1 363 363 ALA CA C 363 54.910 54.910 55.431 -0.521 25829 1020 1 3 . 1 1 363 363 ALA CB C 363 18.000 18.000 17.995 0.005 25829 1021 1 3 . 1 1 363 363 ALA H H 363 8.384 8.384 8.580 -0.196 25829 1022 1 3 . 1 1 364 364 GLY N N 364 103.970 103.970 106.070 -2.100 25829 1023 1 3 . 1 1 364 364 GLY CA C 364 46.452 46.452 47.126 -0.673 25829 1024 1 3 . 1 1 364 364 GLY H H 364 7.679 7.679 7.817 -0.138 25829 1025 1 3 . 1 1 365 365 GLU N N 365 122.387 122.387 120.576 1.811 25829 1026 1 3 . 1 1 365 365 GLU HA H 365 4.250 4.250 4.275 -0.025 25829 1027 1 3 . 1 1 365 365 GLU CA C 365 57.100 57.100 57.365 -0.265 25829 1028 1 3 . 1 1 365 365 GLU CB C 365 29.043 29.043 29.396 -0.353 25829 1029 1 3 . 1 1 365 365 GLU H H 365 7.724 7.724 7.689 0.035 25829 1030 1 3 . 1 1 366 366 LEU N N 366 117.748 117.748 118.510 -0.762 25829 1031 1 3 . 1 1 366 366 LEU HA H 366 4.329 4.329 4.232 0.097 25829 1032 1 3 . 1 1 366 366 LEU CA C 366 53.898 53.898 54.871 -0.973 25829 1033 1 3 . 1 1 366 366 LEU CB C 366 40.569 40.569 42.217 -1.648 25829 1034 1 3 . 1 1 366 366 LEU H H 366 7.813 7.813 7.982 -0.169 25829 1035 1 3 . 1 1 367 367 GLY N N 367 105.744 105.744 106.059 -0.315 25829 1036 1 3 . 1 1 367 367 GLY CA C 367 44.900 44.900 45.207 -0.307 25829 1037 1 3 . 1 1 367 367 GLY H H 367 7.636 7.636 7.335 0.301 25829 1038 1 3 . 1 1 368 368 TYR N N 368 119.550 119.550 120.664 -1.114 25829 1039 1 3 . 1 1 368 368 TYR HA H 368 4.450 4.450 4.362 0.088 25829 1040 1 3 . 1 1 368 368 TYR CA C 368 58.960 58.960 59.571 -0.611 25829 1041 1 3 . 1 1 368 368 TYR CB C 368 37.990 37.990 39.072 -1.082 25829 1042 1 3 . 1 1 368 368 TYR H H 368 7.958 7.958 7.862 0.096 25829 1043 1 3 . 1 1 369 369 GLN N N 369 123.108 123.108 124.748 -1.640 25829 1044 1 3 . 1 1 369 369 GLN HA H 369 4.600 4.600 4.447 0.153 25829 1045 1 3 . 1 1 369 369 GLN CA C 369 53.400 53.400 55.644 -2.244 25829 1046 1 3 . 1 1 369 369 GLN CB C 369 27.110 27.110 28.739 -1.629 25829 1047 1 3 . 1 1 369 369 GLN H H 369 9.767 9.767 8.927 0.840 25829 1048 1 3 . 1 1 370 370 PRO HA H 370 4.057 4.057 4.342 -0.285 25829 1049 1 3 . 1 1 370 370 PRO CA C 370 66.262 66.262 65.345 0.917 25829 1050 1 3 . 1 1 370 370 PRO CB C 370 31.384 31.384 31.888 -0.504 25829 1051 1 3 . 1 1 371 371 GLU N N 371 116.204 116.204 118.821 -2.617 25829 1052 1 3 . 1 1 371 371 GLU HA H 371 4.111 4.111 3.994 0.117 25829 1053 1 3 . 1 1 371 371 GLU CA C 371 58.661 58.661 59.303 -0.643 25829 1054 1 3 . 1 1 371 371 GLU CB C 371 27.741 27.741 28.287 -0.546 25829 1055 1 3 . 1 1 371 371 GLU H H 371 9.493 9.493 8.947 0.545 25829 1056 1 3 . 1 1 372 372 HIS N N 372 120.310 120.310 119.730 0.580 25829 1057 1 3 . 1 1 372 372 HIS HA H 372 4.425 4.425 4.204 0.221 25829 1058 1 3 . 1 1 372 372 HIS CA C 372 57.070 57.070 58.981 -1.911 25829 1059 1 3 . 1 1 372 372 HIS CB C 372 31.818 31.818 30.034 1.784 25829 1060 1 3 . 1 1 372 372 HIS H H 372 7.424 7.424 7.626 -0.202 25829 1061 1 3 . 1 1 373 373 ILE N N 373 120.390 120.390 120.822 -0.432 25829 1062 1 3 . 1 1 373 373 ILE HA H 373 3.708 3.708 4.054 -0.346 25829 1063 1 3 . 1 1 373 373 ILE CA C 373 65.480 65.480 65.962 -0.482 25829 1064 1 3 . 1 1 373 373 ILE CB C 373 37.329 37.329 37.788 -0.459 25829 1065 1 3 . 1 1 373 373 ILE H H 373 7.950 7.950 7.750 0.200 25829 1066 1 3 . 1 1 374 374 ASP N N 374 117.990 117.990 120.170 -2.180 25829 1067 1 3 . 1 1 374 374 ASP HA H 374 4.508 4.508 4.550 -0.042 25829 1068 1 3 . 1 1 374 374 ASP CA C 374 56.504 56.504 57.228 -0.724 25829 1069 1 3 . 1 1 374 374 ASP CB C 374 40.175 40.175 40.591 -0.416 25829 1070 1 3 . 1 1 374 374 ASP H H 374 8.142 8.142 8.204 -0.062 25829 1071 1 3 . 1 1 375 375 SER N N 375 115.373 115.373 115.777 -0.404 25829 1072 1 3 . 1 1 375 375 SER HA H 375 4.207 4.207 4.225 -0.018 25829 1073 1 3 . 1 1 375 375 SER CA C 375 60.962 60.962 61.338 -0.376 25829 1074 1 3 . 1 1 375 375 SER CB C 375 61.999 61.999 63.299 -1.300 25829 1075 1 3 . 1 1 375 375 SER H H 375 7.485 7.485 7.921 -0.436 25829 1076 1 3 . 1 1 376 376 PHE N N 376 120.335 120.335 120.295 0.040 25829 1077 1 3 . 1 1 376 376 PHE HA H 376 4.503 4.503 4.278 0.225 25829 1078 1 3 . 1 1 376 376 PHE CA C 376 58.170 58.170 59.474 -1.304 25829 1079 1 3 . 1 1 376 376 PHE CB C 376 37.729 37.729 38.205 -0.475 25829 1080 1 3 . 1 1 376 376 PHE H H 376 7.787 7.787 8.596 -0.809 25829 1081 1 3 . 1 1 377 377 THR N N 377 110.175 110.175 111.747 -1.572 25829 1082 1 3 . 1 1 377 377 THR HA H 377 3.908 3.908 4.348 -0.440 25829 1083 1 3 . 1 1 377 377 THR CA C 377 64.888 64.888 65.299 -0.411 25829 1084 1 3 . 1 1 377 377 THR CB C 377 68.990 68.990 68.718 0.272 25829 1085 1 3 . 1 1 377 377 THR H H 377 7.777 7.777 8.747 -0.970 25829 1086 1 3 . 1 1 378 378 HIS N N 378 116.164 116.164 120.056 -3.892 25829 1087 1 3 . 1 1 378 378 HIS HA H 378 4.630 4.630 4.793 -0.163 25829 1088 1 3 . 1 1 378 378 HIS CA C 378 55.189 55.189 56.019 -0.830 25829 1089 1 3 . 1 1 378 378 HIS CB C 378 28.700 28.700 30.459 -1.759 25829 1090 1 3 . 1 1 378 378 HIS H H 378 7.473 7.473 7.753 -0.280 25829 1091 1 3 . 1 1 379 379 GLU N N 379 119.465 119.465 120.571 -1.106 25829 1092 1 3 . 1 1 379 379 GLU HA H 379 4.194 4.194 4.546 -0.352 25829 1093 1 3 . 1 1 379 379 GLU CA C 379 54.632 54.632 55.321 -0.689 25829 1094 1 3 . 1 1 379 379 GLU CB C 379 29.247 29.247 31.506 -2.259 25829 1095 1 3 . 1 1 379 379 GLU H H 379 7.229 7.229 7.640 -0.411 25829 1096 1 3 . 1 1 380 380 ALA N N 380 123.121 123.121 125.523 -2.402 25829 1097 1 3 . 1 1 380 380 ALA HA H 380 3.983 3.983 4.237 -0.254 25829 1098 1 3 . 1 1 380 380 ALA CA C 380 54.134 54.134 53.719 0.415 25829 1099 1 3 . 1 1 380 380 ALA CB C 380 17.480 17.480 18.914 -1.434 25829 1100 1 3 . 1 1 380 380 ALA H H 380 8.624 8.624 8.471 0.153 25829 1101 1 3 . 1 1 381 381 CYS N N 381 114.618 114.618 116.272 -1.654 25829 1102 1 3 . 1 1 381 381 CYS HA H 381 4.650 4.650 4.884 -0.234 25829 1103 1 3 . 1 1 381 381 CYS CA C 381 54.700 54.700 55.691 -0.991 25829 1104 1 3 . 1 1 381 381 CYS CB C 381 26.580 26.580 28.350 -1.770 25829 1105 1 3 . 1 1 381 381 CYS H H 381 7.962 7.962 8.021 -0.059 25829 1106 1 3 . 1 1 382 382 PRO HA H 382 3.530 3.530 4.281 -0.751 25829 1107 1 3 . 1 1 382 382 PRO CA C 382 65.150 65.150 64.737 0.413 25829 1108 1 3 . 1 1 382 382 PRO CB C 382 30.400 30.400 31.230 -0.830 25829 1109 1 3 . 1 1 383 383 VAL N N 383 114.288 114.288 118.441 -4.153 25829 1110 1 3 . 1 1 383 383 VAL HA H 383 3.250 3.250 3.422 -0.172 25829 1111 1 3 . 1 1 383 383 VAL CA C 383 65.300 65.300 65.143 0.157 25829 1112 1 3 . 1 1 383 383 VAL CB C 383 30.489 30.489 31.517 -1.028 25829 1113 1 3 . 1 1 383 383 VAL H H 383 7.935 7.935 7.840 0.095 25829 1114 1 3 . 1 1 384 384 ARG N N 384 120.700 120.700 118.530 2.170 25829 1115 1 3 . 1 1 384 384 ARG HA H 384 3.782 3.782 4.138 -0.356 25829 1116 1 3 . 1 1 384 384 ARG CA C 384 58.700 58.700 59.507 -0.806 25829 1117 1 3 . 1 1 384 384 ARG CB C 384 29.545 29.545 29.768 -0.223 25829 1118 1 3 . 1 1 384 384 ARG H H 384 7.253 7.253 7.679 -0.426 25829 1119 1 3 . 1 1 385 385 ALA N N 385 121.849 121.849 122.681 -0.832 25829 1120 1 3 . 1 1 385 385 ALA HA H 385 4.010 4.010 4.054 -0.044 25829 1121 1 3 . 1 1 385 385 ALA CA C 385 54.015 54.015 54.890 -0.875 25829 1122 1 3 . 1 1 385 385 ALA CB C 385 17.600 17.600 18.291 -0.691 25829 1123 1 3 . 1 1 385 385 ALA H H 385 7.371 7.371 7.376 -0.005 25829 1124 1 3 . 1 1 386 386 LEU N N 386 120.978 120.978 119.948 1.030 25829 1125 1 3 . 1 1 386 386 LEU HA H 386 2.817 2.817 3.451 -0.634 25829 1126 1 3 . 1 1 386 386 LEU CA C 386 56.800 56.800 57.664 -0.864 25829 1127 1 3 . 1 1 386 386 LEU CB C 386 40.600 40.600 41.654 -1.054 25829 1128 1 3 . 1 1 386 386 LEU H H 386 7.999 7.999 7.915 0.084 25829 1129 1 3 . 1 1 387 387 LEU N N 387 117.377 117.377 118.042 -0.665 25829 1130 1 3 . 1 1 387 387 LEU HA H 387 4.040 4.040 3.883 0.157 25829 1131 1 3 . 1 1 387 387 LEU CA C 387 57.390 57.390 57.784 -0.394 25829 1132 1 3 . 1 1 387 387 LEU CB C 387 40.200 40.200 41.294 -1.094 25829 1133 1 3 . 1 1 387 387 LEU H H 387 7.973 7.973 7.584 0.389 25829 1134 1 3 . 1 1 388 388 ALA N N 388 120.700 120.700 122.284 -1.584 25829 1135 1 3 . 1 1 388 388 ALA HA H 388 4.110 4.110 4.011 0.099 25829 1136 1 3 . 1 1 388 388 ALA CA C 388 54.162 54.162 55.236 -1.074 25829 1137 1 3 . 1 1 388 388 ALA CB C 388 17.437 17.437 18.210 -0.773 25829 1138 1 3 . 1 1 388 388 ALA H H 388 8.086 8.086 8.183 -0.097 25829 1139 1 3 . 1 1 389 389 SER N N 389 111.963 111.963 114.122 -2.159 25829 1140 1 3 . 1 1 389 389 SER HA H 389 4.386 4.386 4.339 0.047 25829 1141 1 3 . 1 1 389 389 SER CA C 389 59.878 59.878 60.749 -0.871 25829 1142 1 3 . 1 1 389 389 SER CB C 389 62.639 62.639 63.398 -0.759 25829 1143 1 3 . 1 1 389 389 SER H H 389 7.446 7.446 8.174 -0.728 25829 1144 1 3 . 1 1 390 390 TRP N N 390 125.600 125.600 124.225 1.375 25829 1145 1 3 . 1 1 390 390 TRP HA H 390 4.319 4.319 4.629 -0.310 25829 1146 1 3 . 1 1 390 390 TRP CA C 390 60.946 60.946 60.512 0.434 25829 1147 1 3 . 1 1 390 390 TRP CB C 390 27.482 27.482 29.685 -2.203 25829 1148 1 3 . 1 1 390 390 TRP H H 390 9.032 9.032 8.527 0.505 25829 1149 1 3 . 1 1 391 391 ALA N N 391 114.481 114.481 119.323 -4.842 25829 1150 1 3 . 1 1 391 391 ALA HA H 391 3.583 3.583 4.144 -0.561 25829 1151 1 3 . 1 1 391 391 ALA CA C 391 52.859 52.859 54.082 -1.223 25829 1152 1 3 . 1 1 391 391 ALA CB C 391 18.590 18.590 18.454 0.136 25829 1153 1 3 . 1 1 391 391 ALA H H 391 8.312 8.312 7.914 0.398 25829 1154 1 3 . 1 1 392 392 THR N N 392 106.369 106.369 108.715 -2.346 25829 1155 1 3 . 1 1 392 392 THR HA H 392 4.196 4.196 4.148 0.048 25829 1156 1 3 . 1 1 392 392 THR CA C 392 62.128 62.128 63.515 -1.387 25829 1157 1 3 . 1 1 392 392 THR CB C 392 69.100 69.100 68.819 0.281 25829 1158 1 3 . 1 1 392 392 THR H H 392 7.238 7.238 7.762 -0.524 25829 1159 1 3 . 1 1 393 393 GLN N N 393 121.193 121.193 120.378 0.815 25829 1160 1 3 . 1 1 393 393 GLN HA H 393 4.295 4.295 4.591 -0.296 25829 1161 1 3 . 1 1 393 393 GLN CA C 393 54.971 54.971 54.372 0.599 25829 1162 1 3 . 1 1 393 393 GLN CB C 393 29.130 29.130 31.723 -2.593 25829 1163 1 3 . 1 1 393 393 GLN H H 393 7.701 7.701 7.482 0.219 25829 1164 1 3 . 1 1 394 394 ASP N N 394 121.430 121.430 123.263 -1.833 25829 1165 1 3 . 1 1 394 394 ASP HA H 394 4.260 4.260 4.332 -0.072 25829 1166 1 3 . 1 1 394 394 ASP CA C 394 55.700 55.700 56.178 -0.478 25829 1167 1 3 . 1 1 394 394 ASP CB C 394 39.700 39.700 40.469 -0.769 25829 1168 1 3 . 1 1 394 394 ASP H H 394 8.623 8.623 8.747 -0.124 25829 1169 1 3 . 1 1 395 395 SER N N 395 108.500 108.500 114.401 -5.901 25829 1170 1 3 . 1 1 395 395 SER HA H 395 4.293 4.293 4.253 0.040 25829 1171 1 3 . 1 1 395 395 SER CA C 395 56.340 56.340 58.969 -2.629 25829 1172 1 3 . 1 1 395 395 SER CB C 395 62.319 62.319 63.263 -0.944 25829 1173 1 3 . 1 1 395 395 SER H H 395 7.437 7.437 7.915 -0.478 25829 1174 1 3 . 1 1 396 396 ALA N N 396 127.500 127.500 124.878 2.622 25829 1175 1 3 . 1 1 396 396 ALA HA H 396 3.974 3.974 2.228 1.746 25829 1176 1 3 . 1 1 396 396 ALA CA C 396 51.617 51.617 50.528 1.089 25829 1177 1 3 . 1 1 396 396 ALA CB C 396 15.670 15.670 16.814 -1.144 25829 1178 1 3 . 1 1 396 396 ALA H H 396 7.077 7.077 7.237 -0.160 25829 1179 1 3 . 1 1 397 397 THR N N 397 115.344 115.344 112.676 2.668 25829 1180 1 3 . 1 1 397 397 THR HA H 397 4.760 4.760 4.651 0.109 25829 1181 1 3 . 1 1 397 397 THR CA C 397 58.900 58.900 60.732 -1.832 25829 1182 1 3 . 1 1 397 397 THR CB C 397 70.600 70.600 71.594 -0.994 25829 1183 1 3 . 1 1 397 397 THR H H 397 7.802 7.802 7.903 -0.101 25829 1184 1 3 . 1 1 398 398 LEU N N 398 122.107 122.107 124.693 -2.586 25829 1185 1 3 . 1 1 398 398 LEU HA H 398 4.402 4.402 4.202 0.200 25829 1186 1 3 . 1 1 398 398 LEU CA C 398 57.949 57.949 58.692 -0.743 25829 1187 1 3 . 1 1 398 398 LEU CB C 398 40.435 40.435 41.203 -0.768 25829 1188 1 3 . 1 1 398 398 LEU H H 398 8.686 8.686 8.873 -0.187 25829 1189 1 3 . 1 1 399 399 ASP N N 399 116.774 116.774 119.514 -2.740 25829 1190 1 3 . 1 1 399 399 ASP HA H 399 4.340 4.340 4.352 -0.012 25829 1191 1 3 . 1 1 399 399 ASP CA C 399 57.209 57.209 57.736 -0.527 25829 1192 1 3 . 1 1 399 399 ASP CB C 399 39.800 39.800 40.755 -0.955 25829 1193 1 3 . 1 1 399 399 ASP H H 399 8.592 8.592 8.207 0.385 25829 1194 1 3 . 1 1 400 400 ALA N N 400 123.457 123.457 122.290 1.167 25829 1195 1 3 . 1 1 400 400 ALA HA H 400 4.265 4.265 4.319 -0.054 25829 1196 1 3 . 1 1 400 400 ALA CA C 400 54.429 54.429 55.082 -0.653 25829 1197 1 3 . 1 1 400 400 ALA CB C 400 17.800 17.800 18.709 -0.909 25829 1198 1 3 . 1 1 400 400 ALA H H 400 8.285 8.285 8.187 0.098 25829 1199 1 3 . 1 1 401 401 LEU N N 401 121.963 121.963 120.787 1.176 25829 1200 1 3 . 1 1 401 401 LEU HA H 401 3.774 3.774 3.975 -0.201 25829 1201 1 3 . 1 1 401 401 LEU CA C 401 57.306 57.306 58.227 -0.921 25829 1202 1 3 . 1 1 401 401 LEU CB C 401 40.560 40.560 41.735 -1.175 25829 1203 1 3 . 1 1 401 401 LEU H H 401 7.952 7.952 8.214 -0.262 25829 1204 1 3 . 1 1 402 402 LEU N N 402 117.440 117.440 118.294 -0.854 25829 1205 1 3 . 1 1 402 402 LEU HA H 402 3.837 3.837 3.904 -0.067 25829 1206 1 3 . 1 1 402 402 LEU CA C 402 57.400 57.400 57.958 -0.558 25829 1207 1 3 . 1 1 402 402 LEU CB C 402 39.700 39.700 41.273 -1.573 25829 1208 1 3 . 1 1 402 402 LEU H H 402 8.633 8.633 8.665 -0.032 25829 1209 1 3 . 1 1 403 403 ALA N N 403 119.971 119.971 121.443 -1.472 25829 1210 1 3 . 1 1 403 403 ALA HA H 403 3.993 3.993 3.958 0.035 25829 1211 1 3 . 1 1 403 403 ALA CA C 403 54.500 54.500 55.068 -0.568 25829 1212 1 3 . 1 1 403 403 ALA CB C 403 17.200 17.200 18.003 -0.803 25829 1213 1 3 . 1 1 403 403 ALA H H 403 8.132 8.132 7.727 0.405 25829 1214 1 3 . 1 1 404 404 ALA N N 404 121.297 121.297 121.410 -0.113 25829 1215 1 3 . 1 1 404 404 ALA HA H 404 3.815 3.815 3.987 -0.172 25829 1216 1 3 . 1 1 404 404 ALA CA C 404 54.800 54.800 54.698 0.102 25829 1217 1 3 . 1 1 404 404 ALA CB C 404 18.100 18.100 18.555 -0.455 25829 1218 1 3 . 1 1 404 404 ALA H H 404 7.610 7.610 7.915 -0.305 25829 1219 1 3 . 1 1 405 405 LEU N N 405 116.480 116.480 118.940 -2.460 25829 1220 1 3 . 1 1 405 405 LEU HA H 405 3.853 3.853 3.821 0.032 25829 1221 1 3 . 1 1 405 405 LEU CA C 405 56.591 56.591 58.059 -1.468 25829 1222 1 3 . 1 1 405 405 LEU CB C 405 41.000 41.000 41.656 -0.656 25829 1223 1 3 . 1 1 405 405 LEU H H 405 8.009 8.009 8.335 -0.326 25829 1224 1 3 . 1 1 406 406 ARG N N 406 118.300 118.300 119.050 -0.750 25829 1225 1 3 . 1 1 406 406 ARG HA H 406 3.804 3.804 4.038 -0.234 25829 1226 1 3 . 1 1 406 406 ARG CA C 406 59.650 59.650 59.182 0.468 25829 1227 1 3 . 1 1 406 406 ARG CB C 406 29.300 29.300 29.483 -0.183 25829 1228 1 3 . 1 1 406 406 ARG H H 406 7.983 7.983 7.880 0.103 25829 1229 1 3 . 1 1 407 407 ARG N N 407 120.307 120.307 118.742 1.565 25829 1230 1 3 . 1 1 407 407 ARG HA H 407 4.085 4.085 4.153 -0.068 25829 1231 1 3 . 1 1 407 407 ARG CA C 407 59.552 59.552 58.073 1.479 25829 1232 1 3 . 1 1 407 407 ARG CB C 407 29.700 29.700 29.362 0.338 25829 1233 1 3 . 1 1 407 407 ARG H H 407 7.916 7.916 7.551 0.365 25829 1234 1 3 . 1 1 408 408 ILE N N 408 110.637 110.637 112.603 -1.966 25829 1235 1 3 . 1 1 408 408 ILE HA H 408 4.530 4.530 4.397 0.133 25829 1236 1 3 . 1 1 408 408 ILE CA C 408 60.500 60.500 60.462 0.038 25829 1237 1 3 . 1 1 408 408 ILE CB C 408 36.148 36.148 37.105 -0.957 25829 1238 1 3 . 1 1 408 408 ILE H H 408 7.274 7.274 7.310 -0.036 25829 1239 1 3 . 1 1 409 409 GLN N N 409 113.647 113.647 116.470 -2.823 25829 1240 1 3 . 1 1 409 409 GLN HA H 409 3.962 3.962 3.977 -0.015 25829 1241 1 3 . 1 1 409 409 GLN CA C 409 56.289 56.289 57.233 -0.944 25829 1242 1 3 . 1 1 409 409 GLN CB C 409 24.550 24.550 26.021 -1.471 25829 1243 1 3 . 1 1 409 409 GLN H H 409 7.714 7.714 7.666 0.048 25829 1244 1 3 . 1 1 410 410 ARG N N 410 117.152 117.152 117.237 -0.085 25829 1245 1 3 . 1 1 410 410 ARG HA H 410 5.039 5.039 4.678 0.361 25829 1246 1 3 . 1 1 410 410 ARG CA C 410 50.920 50.920 54.129 -3.209 25829 1247 1 3 . 1 1 410 410 ARG CB C 410 26.600 26.600 30.582 -3.982 25829 1248 1 3 . 1 1 410 410 ARG H H 410 8.029 8.029 7.943 0.086 25829 1249 1 3 . 1 1 411 411 ALA N N 411 123.065 123.065 123.051 0.014 25829 1250 1 3 . 1 1 411 411 ALA HA H 411 3.854 3.854 3.888 -0.034 25829 1251 1 3 . 1 1 411 411 ALA CA C 411 54.287 54.287 55.657 -1.370 25829 1252 1 3 . 1 1 411 411 ALA CB C 411 17.691 17.691 18.537 -0.846 25829 1253 1 3 . 1 1 411 411 ALA H H 411 8.121 8.121 8.551 -0.430 25829 1254 1 3 . 1 1 412 412 ASP N N 412 116.575 116.575 117.521 -0.946 25829 1255 1 3 . 1 1 412 412 ASP HA H 412 4.251 4.251 4.306 -0.055 25829 1256 1 3 . 1 1 412 412 ASP CA C 412 55.566 55.566 56.504 -0.938 25829 1257 1 3 . 1 1 412 412 ASP CB C 412 38.000 38.000 39.641 -1.641 25829 1258 1 3 . 1 1 412 412 ASP H H 412 8.916 8.916 8.501 0.415 25829 1259 1 3 . 1 1 413 413 LEU N N 413 120.881 120.881 121.349 -0.468 25829 1260 1 3 . 1 1 413 413 LEU HA H 413 4.134 4.134 4.107 0.027 25829 1261 1 3 . 1 1 413 413 LEU CA C 413 56.251 56.251 56.798 -0.547 25829 1262 1 3 . 1 1 413 413 LEU CB C 413 41.190 41.190 42.115 -0.925 25829 1263 1 3 . 1 1 413 413 LEU H H 413 7.497 7.497 7.407 0.090 25829 1264 1 3 . 1 1 414 414 VAL N N 414 117.403 117.403 119.307 -1.904 25829 1265 1 3 . 1 1 414 414 VAL HA H 414 3.475 3.475 3.512 -0.037 25829 1266 1 3 . 1 1 414 414 VAL CA C 414 65.682 65.682 67.302 -1.620 25829 1267 1 3 . 1 1 414 414 VAL CB C 414 31.000 31.000 31.257 -0.257 25829 1268 1 3 . 1 1 414 414 VAL H H 414 7.158 7.158 8.410 -1.252 25829 1269 1 3 . 1 1 415 415 GLU N N 415 118.645 118.645 119.819 -1.174 25829 1270 1 3 . 1 1 415 415 GLU HA H 415 3.957 3.957 4.025 -0.068 25829 1271 1 3 . 1 1 415 415 GLU CA C 415 58.698 58.698 59.510 -0.812 25829 1272 1 3 . 1 1 415 415 GLU CB C 415 28.535 28.535 29.439 -0.904 25829 1273 1 3 . 1 1 415 415 GLU H H 415 8.023 8.023 7.973 0.050 25829 1274 1 3 . 1 1 416 416 SER N N 416 113.570 113.570 114.651 -1.081 25829 1275 1 3 . 1 1 416 416 SER HA H 416 4.230 4.230 4.248 -0.018 25829 1276 1 3 . 1 1 416 416 SER CA C 416 60.774 60.774 61.517 -0.743 25829 1277 1 3 . 1 1 416 416 SER CB C 416 62.641 62.641 63.322 -0.681 25829 1278 1 3 . 1 1 416 416 SER H H 416 7.668 7.668 7.564 0.104 25829 1279 1 3 . 1 1 417 417 LEU N N 417 120.278 120.278 120.919 -0.641 25829 1280 1 3 . 1 1 417 417 LEU HA H 417 4.220 4.220 4.263 -0.043 25829 1281 1 3 . 1 1 417 417 LEU CA C 417 55.974 55.974 56.890 -0.916 25829 1282 1 3 . 1 1 417 417 LEU CB C 417 42.477 42.477 42.227 0.251 25829 1283 1 3 . 1 1 417 417 LEU H H 417 7.727 7.727 7.564 0.163 25829 1284 1 3 . 1 1 418 418 CYS N N 418 116.200 116.200 117.483 -1.283 25829 1285 1 3 . 1 1 418 418 CYS HA H 418 4.490 4.490 4.140 0.350 25829 1286 1 3 . 1 1 418 418 CYS CA C 418 59.010 59.010 61.312 -2.302 25829 1287 1 3 . 1 1 418 418 CYS CB C 418 27.300 27.300 27.546 -0.246 25829 1288 1 3 . 1 1 418 418 CYS H H 418 7.855 7.855 8.768 -0.913 25829 1289 1 3 . 1 1 419 419 SER N N 419 116.680 116.680 117.643 -0.963 25829 1290 1 3 . 1 1 419 419 SER HA H 419 4.402 4.402 4.079 0.323 25829 1291 1 3 . 1 1 419 419 SER CA C 419 58.284 58.284 61.577 -3.293 25829 1292 1 3 . 1 1 419 419 SER CB C 419 63.179 63.179 62.978 0.201 25829 1293 1 3 . 1 1 419 419 SER H H 419 7.813 7.813 7.941 -0.128 25829 1294 1 3 . 1 1 420 420 GLU N N 420 122.629 122.629 119.301 3.328 25829 1295 1 3 . 1 1 420 420 GLU HA H 420 4.338 4.338 4.405 -0.067 25829 1296 1 3 . 1 1 420 420 GLU CA C 420 56.021 56.021 56.359 -0.338 25829 1297 1 3 . 1 1 420 420 GLU CB C 420 29.569 29.569 30.249 -0.680 25829 1298 1 3 . 1 1 420 420 GLU H H 420 8.456 8.456 7.600 0.856 25829 1299 1 3 . 1 1 421 421 SER N N 421 116.600 116.600 115.550 1.050 25829 1300 1 3 . 1 1 421 421 SER HA H 421 4.470 4.470 4.416 0.054 25829 1301 1 3 . 1 1 421 421 SER CA C 421 57.800 57.800 58.844 -1.044 25829 1302 1 3 . 1 1 421 421 SER CB C 421 63.180 63.180 62.484 0.696 25829 1303 1 3 . 1 1 421 421 SER H H 421 8.321 8.321 7.762 0.559 25829 1304 1 3 . 1 1 422 422 THR N N 422 115.756 115.756 115.614 0.142 25829 1305 1 3 . 1 1 422 422 THR HA H 422 4.331 4.331 4.458 -0.127 25829 1306 1 3 . 1 1 422 422 THR CA C 422 61.100 61.100 61.188 -0.088 25829 1307 1 3 . 1 1 422 422 THR CB C 422 69.000 69.000 70.984 -1.984 25829 1308 1 3 . 1 1 422 422 THR H H 422 8.144 8.144 7.702 0.442 25829 1309 1 3 . 1 1 423 423 ALA N N 423 126.280 126.280 126.437 -0.157 25829 1310 1 3 . 1 1 423 423 ALA HA H 423 4.369 4.369 4.452 -0.083 25829 1311 1 3 . 1 1 423 423 ALA CA C 423 52.060 52.060 52.698 -0.638 25829 1312 1 3 . 1 1 423 423 ALA CB C 423 18.600 18.600 17.872 0.728 25829 1313 1 3 . 1 1 423 423 ALA H H 423 8.233 8.233 8.431 -0.198 25829 1314 1 3 . 1 1 424 424 THR N N 424 113.047 113.047 115.649 -2.602 25829 1315 1 3 . 1 1 424 424 THR HA H 424 4.316 4.316 4.627 -0.311 25829 1316 1 3 . 1 1 424 424 THR CA C 424 60.990 60.990 61.419 -0.429 25829 1317 1 3 . 1 1 424 424 THR CB C 424 69.200 69.200 70.484 -1.284 25829 1318 1 3 . 1 1 424 424 THR H H 424 8.061 8.061 8.317 -0.256 25829 1319 1 3 . 1 1 425 425 SER N N 425 119.479 119.479 116.268 3.211 25829 1320 1 3 . 1 1 425 425 SER HA H 425 4.755 4.755 4.887 -0.132 25829 1321 1 3 . 1 1 425 425 SER CA C 425 55.720 55.720 56.349 -0.629 25829 1322 1 3 . 1 1 425 425 SER CB C 425 62.800 62.800 64.351 -1.551 25829 1323 1 3 . 1 1 425 425 SER H H 425 8.215 8.215 8.181 0.034 25829 1324 1 3 . 1 1 426 426 PRO HA H 426 4.461 4.461 4.595 -0.134 25829 1325 1 3 . 1 1 426 426 PRO CA C 426 62.851 62.851 63.148 -0.297 25829 1326 1 3 . 1 1 426 426 PRO CB C 426 31.308 31.308 32.052 -0.744 25829 1327 1 4 . 1 1 335 335 LEU N N 335 120.860 120.860 121.010 -0.150 25829 1328 1 4 . 1 1 335 335 LEU HA H 335 4.203 4.203 4.881 -0.678 25829 1329 1 4 . 1 1 335 335 LEU CA C 335 54.890 54.890 53.603 1.287 25829 1330 1 4 . 1 1 335 335 LEU CB C 335 40.860 40.860 45.105 -4.245 25829 1331 1 4 . 1 1 335 335 LEU H H 335 8.289 8.289 7.667 0.622 25829 1332 1 4 . 1 1 336 336 TYR N N 336 127.150 127.150 125.282 1.868 25829 1333 1 4 . 1 1 336 336 TYR HA H 336 4.042 4.042 4.245 -0.203 25829 1334 1 4 . 1 1 336 336 TYR CA C 336 61.360 61.360 61.007 0.353 25829 1335 1 4 . 1 1 336 336 TYR CB C 336 38.768 38.768 39.198 -0.430 25829 1336 1 4 . 1 1 336 336 TYR H H 336 9.027 9.027 9.234 -0.207 25829 1337 1 4 . 1 1 337 337 SER N N 337 111.560 111.560 113.079 -1.519 25829 1338 1 4 . 1 1 337 337 SER HA H 337 3.926 3.926 4.126 -0.200 25829 1339 1 4 . 1 1 337 337 SER CA C 337 59.251 59.251 60.348 -1.097 25829 1340 1 4 . 1 1 337 337 SER CB C 337 62.235 62.235 62.601 -0.366 25829 1341 1 4 . 1 1 337 337 SER H H 337 9.318 9.318 8.625 0.693 25829 1342 1 4 . 1 1 338 338 SER N N 338 115.800 115.800 115.207 0.593 25829 1343 1 4 . 1 1 338 338 SER HA H 338 4.465 4.465 4.362 0.103 25829 1344 1 4 . 1 1 338 338 SER CA C 338 58.120 58.120 58.934 -0.814 25829 1345 1 4 . 1 1 338 338 SER CB C 338 63.663 63.663 63.540 0.123 25829 1346 1 4 . 1 1 338 338 SER H H 338 7.459 7.459 7.549 -0.090 25829 1347 1 4 . 1 1 339 339 LEU N N 339 123.972 123.972 123.221 0.751 25829 1348 1 4 . 1 1 339 339 LEU HA H 339 4.366 4.366 4.277 0.089 25829 1349 1 4 . 1 1 339 339 LEU CA C 339 52.936 52.936 53.820 -0.884 25829 1350 1 4 . 1 1 339 339 LEU CB C 339 40.889 40.889 41.134 -0.245 25829 1351 1 4 . 1 1 339 339 LEU H H 339 7.520 7.520 7.090 0.430 25829 1352 1 4 . 1 1 340 340 PRO HA H 340 4.723 4.723 4.653 0.070 25829 1353 1 4 . 1 1 340 340 PRO CA C 340 60.800 60.800 61.417 -0.617 25829 1354 1 4 . 1 1 340 340 PRO CB C 340 27.300 27.300 31.037 -3.737 25829 1355 1 4 . 1 1 341 341 PRO HA H 341 3.971 3.971 4.198 -0.227 25829 1356 1 4 . 1 1 341 341 PRO CA C 341 65.204 65.204 65.551 -0.347 25829 1357 1 4 . 1 1 341 341 PRO CB C 341 31.100 31.100 31.520 -0.420 25829 1358 1 4 . 1 1 342 342 ALA N N 342 117.460 117.460 120.974 -3.514 25829 1359 1 4 . 1 1 342 342 ALA HA H 342 4.125 4.125 4.128 -0.003 25829 1360 1 4 . 1 1 342 342 ALA CA C 342 54.529 54.529 55.026 -0.497 25829 1361 1 4 . 1 1 342 342 ALA CB C 342 17.700 17.700 18.154 -0.454 25829 1362 1 4 . 1 1 342 342 ALA H H 342 8.625 8.625 8.477 0.148 25829 1363 1 4 . 1 1 343 343 LYS N N 343 117.364 117.364 118.868 -1.504 25829 1364 1 4 . 1 1 343 343 LYS HA H 343 4.295 4.295 4.058 0.237 25829 1365 1 4 . 1 1 343 343 LYS CA C 343 56.167 56.167 58.975 -2.808 25829 1366 1 4 . 1 1 343 343 LYS CB C 343 30.889 30.889 32.119 -1.230 25829 1367 1 4 . 1 1 343 343 LYS H H 343 7.254 7.254 7.525 -0.271 25829 1368 1 4 . 1 1 344 344 ARG N N 344 118.680 118.680 118.645 0.035 25829 1369 1 4 . 1 1 344 344 ARG HA H 344 3.850 3.850 4.243 -0.393 25829 1370 1 4 . 1 1 344 344 ARG CA C 344 59.660 59.660 59.403 0.257 25829 1371 1 4 . 1 1 344 344 ARG CB C 344 29.300 29.300 30.106 -0.806 25829 1372 1 4 . 1 1 344 344 ARG H H 344 7.410 7.410 7.601 -0.191 25829 1373 1 4 . 1 1 345 345 GLU N N 345 118.035 118.035 119.046 -1.011 25829 1374 1 4 . 1 1 345 345 GLU HA H 345 3.926 3.926 4.091 -0.165 25829 1375 1 4 . 1 1 345 345 GLU CA C 345 58.720 58.720 59.588 -0.868 25829 1376 1 4 . 1 1 345 345 GLU CB C 345 28.600 28.600 29.439 -0.839 25829 1377 1 4 . 1 1 345 345 GLU H H 345 8.267 8.267 7.751 0.516 25829 1378 1 4 . 1 1 346 346 GLU N N 346 119.810 119.810 120.045 -0.235 25829 1379 1 4 . 1 1 346 346 GLU HA H 346 3.950 3.950 4.105 -0.155 25829 1380 1 4 . 1 1 346 346 GLU CA C 346 59.000 59.000 59.473 -0.473 25829 1381 1 4 . 1 1 346 346 GLU CB C 346 29.113 29.113 29.497 -0.384 25829 1382 1 4 . 1 1 346 346 GLU H H 346 7.444 7.444 8.068 -0.624 25829 1383 1 4 . 1 1 347 347 VAL N N 347 119.540 119.540 118.100 1.440 25829 1384 1 4 . 1 1 347 347 VAL HA H 347 3.470 3.470 3.749 -0.279 25829 1385 1 4 . 1 1 347 347 VAL CA C 347 66.267 66.267 66.885 -0.618 25829 1386 1 4 . 1 1 347 347 VAL CB C 347 30.800 30.800 30.983 -0.183 25829 1387 1 4 . 1 1 347 347 VAL H H 347 7.938 7.938 8.434 -0.496 25829 1388 1 4 . 1 1 348 348 GLU N N 348 118.250 118.250 119.580 -1.330 25829 1389 1 4 . 1 1 348 348 GLU HA H 348 3.513 3.513 4.019 -0.506 25829 1390 1 4 . 1 1 348 348 GLU CA C 348 59.609 59.609 59.867 -0.258 25829 1391 1 4 . 1 1 348 348 GLU CB C 348 28.620 28.620 29.345 -0.725 25829 1392 1 4 . 1 1 348 348 GLU H H 348 8.094 8.094 7.611 0.483 25829 1393 1 4 . 1 1 349 349 LYS N N 349 118.860 118.860 119.347 -0.487 25829 1394 1 4 . 1 1 349 349 LYS HA H 349 3.948 3.948 4.065 -0.117 25829 1395 1 4 . 1 1 349 349 LYS CA C 349 59.000 59.000 59.708 -0.708 25829 1396 1 4 . 1 1 349 349 LYS CB C 349 31.809 31.809 32.529 -0.720 25829 1397 1 4 . 1 1 349 349 LYS H H 349 8.319 8.319 8.151 0.168 25829 1398 1 4 . 1 1 350 350 LEU N N 350 120.820 120.820 117.413 3.407 25829 1399 1 4 . 1 1 350 350 LEU HA H 350 4.050 4.050 4.246 -0.196 25829 1400 1 4 . 1 1 350 350 LEU CA C 350 56.954 56.954 57.527 -0.573 25829 1401 1 4 . 1 1 350 350 LEU CB C 350 41.300 41.300 42.185 -0.885 25829 1402 1 4 . 1 1 350 350 LEU H H 350 8.020 8.020 8.146 -0.126 25829 1403 1 4 . 1 1 351 351 LEU N N 351 117.800 117.800 120.460 -2.660 25829 1404 1 4 . 1 1 351 351 LEU HA H 351 4.020 4.020 4.007 0.013 25829 1405 1 4 . 1 1 351 351 LEU CA C 351 56.700 56.700 57.147 -0.447 25829 1406 1 4 . 1 1 351 351 LEU CB C 351 41.470 41.470 41.499 -0.029 25829 1407 1 4 . 1 1 351 351 LEU H H 351 8.205 8.205 7.496 0.709 25829 1408 1 4 . 1 1 352 352 ASN N N 352 118.847 118.847 116.254 2.593 25829 1409 1 4 . 1 1 352 352 ASN HA H 352 4.487 4.487 4.554 -0.067 25829 1410 1 4 . 1 1 352 352 ASN CA C 352 54.980 54.980 55.187 -0.207 25829 1411 1 4 . 1 1 352 352 ASN CB C 352 38.660 38.660 38.183 0.477 25829 1412 1 4 . 1 1 352 352 ASN H H 352 8.613 8.613 7.945 0.668 25829 1413 1 4 . 1 1 353 353 GLY N N 353 104.836 104.836 106.033 -1.197 25829 1414 1 4 . 1 1 353 353 GLY CA C 353 45.100 45.100 44.545 0.555 25829 1415 1 4 . 1 1 353 353 GLY H H 353 7.803 7.803 7.530 0.273 25829 1416 1 4 . 1 1 354 354 SER N N 354 115.370 115.370 116.226 -0.856 25829 1417 1 4 . 1 1 354 354 SER HA H 354 4.530 4.530 4.277 0.253 25829 1418 1 4 . 1 1 354 354 SER CA C 354 58.317 58.317 58.047 0.270 25829 1419 1 4 . 1 1 354 354 SER CB C 354 63.678 63.678 64.055 -0.377 25829 1420 1 4 . 1 1 354 354 SER H H 354 7.567 7.567 7.405 0.162 25829 1421 1 4 . 1 1 355 355 ALA N N 355 124.206 124.206 122.246 1.960 25829 1422 1 4 . 1 1 355 355 ALA HA H 355 4.455 4.455 4.060 0.395 25829 1423 1 4 . 1 1 355 355 ALA CA C 355 51.960 51.960 53.800 -1.840 25829 1424 1 4 . 1 1 355 355 ALA CB C 355 18.545 18.545 18.824 -0.279 25829 1425 1 4 . 1 1 355 355 ALA H H 355 8.334 8.334 8.666 -0.332 25829 1426 1 4 . 1 1 356 356 GLY N N 356 108.886 108.886 105.352 3.534 25829 1427 1 4 . 1 1 356 356 GLY CA C 356 46.340 46.340 45.850 0.490 25829 1428 1 4 . 1 1 356 356 GLY H H 356 8.613 8.613 8.678 -0.065 25829 1429 1 4 . 1 1 357 357 ASP N N 357 119.161 119.161 118.759 0.402 25829 1430 1 4 . 1 1 357 357 ASP HA H 357 4.490 4.490 4.227 0.263 25829 1431 1 4 . 1 1 357 357 ASP CA C 357 53.700 53.700 53.862 -0.162 25829 1432 1 4 . 1 1 357 357 ASP CB C 357 39.418 39.418 40.106 -0.688 25829 1433 1 4 . 1 1 357 357 ASP H H 357 8.534 8.534 7.387 1.147 25829 1434 1 4 . 1 1 358 358 THR N N 358 116.000 116.000 115.814 0.186 25829 1435 1 4 . 1 1 358 358 THR HA H 358 3.855 3.855 3.671 0.184 25829 1436 1 4 . 1 1 358 358 THR CA C 358 66.123 66.123 67.304 -1.181 25829 1437 1 4 . 1 1 358 358 THR CB C 358 67.860 67.860 68.677 -0.817 25829 1438 1 4 . 1 1 358 358 THR H H 358 7.864 7.864 8.495 -0.631 25829 1439 1 4 . 1 1 359 359 TRP N N 359 118.670 118.670 119.212 -0.542 25829 1440 1 4 . 1 1 359 359 TRP HA H 359 3.930 3.930 4.201 -0.271 25829 1441 1 4 . 1 1 359 359 TRP CA C 359 59.500 59.500 58.673 0.827 25829 1442 1 4 . 1 1 359 359 TRP CB C 359 26.859 26.859 27.769 -0.910 25829 1443 1 4 . 1 1 359 359 TRP H H 359 8.287 8.287 8.063 0.224 25829 1444 1 4 . 1 1 360 360 ARG N N 360 122.263 122.263 121.137 1.126 25829 1445 1 4 . 1 1 360 360 ARG HA H 360 2.995 2.995 3.532 -0.537 25829 1446 1 4 . 1 1 360 360 ARG CA C 360 58.797 58.797 58.934 -0.137 25829 1447 1 4 . 1 1 360 360 ARG CB C 360 28.650 28.650 29.423 -0.773 25829 1448 1 4 . 1 1 360 360 ARG H H 360 6.341 6.341 6.801 -0.460 25829 1449 1 4 . 1 1 361 361 HIS N N 361 120.604 120.604 118.160 2.444 25829 1450 1 4 . 1 1 361 361 HIS HA H 361 4.379 4.379 4.267 0.112 25829 1451 1 4 . 1 1 361 361 HIS CA C 361 57.124 57.124 58.937 -1.813 25829 1452 1 4 . 1 1 361 361 HIS CB C 361 29.551 29.551 30.144 -0.593 25829 1453 1 4 . 1 1 361 361 HIS H H 361 7.370 7.370 7.612 -0.242 25829 1454 1 4 . 1 1 362 362 LEU N N 362 120.734 120.734 120.316 0.418 25829 1455 1 4 . 1 1 362 362 LEU HA H 362 3.750 3.750 3.892 -0.142 25829 1456 1 4 . 1 1 362 362 LEU CA C 362 57.153 57.153 57.860 -0.707 25829 1457 1 4 . 1 1 362 362 LEU CB C 362 40.886 40.886 41.600 -0.714 25829 1458 1 4 . 1 1 362 362 LEU H H 362 8.365 8.365 7.864 0.501 25829 1459 1 4 . 1 1 363 363 ALA N N 363 118.919 118.919 120.884 -1.965 25829 1460 1 4 . 1 1 363 363 ALA HA H 363 3.824 3.824 3.921 -0.097 25829 1461 1 4 . 1 1 363 363 ALA CA C 363 54.910 54.910 55.473 -0.563 25829 1462 1 4 . 1 1 363 363 ALA CB C 363 18.000 18.000 17.933 0.066 25829 1463 1 4 . 1 1 363 363 ALA H H 363 8.384 8.384 8.308 0.076 25829 1464 1 4 . 1 1 364 364 GLY N N 364 103.970 103.970 106.088 -2.118 25829 1465 1 4 . 1 1 364 364 GLY CA C 364 46.452 46.452 47.093 -0.641 25829 1466 1 4 . 1 1 364 364 GLY H H 364 7.679 7.679 7.734 -0.055 25829 1467 1 4 . 1 1 365 365 GLU N N 365 122.387 122.387 119.943 2.444 25829 1468 1 4 . 1 1 365 365 GLU HA H 365 4.250 4.250 4.268 -0.018 25829 1469 1 4 . 1 1 365 365 GLU CA C 365 57.100 57.100 57.544 -0.444 25829 1470 1 4 . 1 1 365 365 GLU CB C 365 29.043 29.043 29.414 -0.371 25829 1471 1 4 . 1 1 365 365 GLU H H 365 7.724 7.724 7.667 0.057 25829 1472 1 4 . 1 1 366 366 LEU N N 366 117.748 117.748 117.717 0.031 25829 1473 1 4 . 1 1 366 366 LEU HA H 366 4.329 4.329 4.321 0.008 25829 1474 1 4 . 1 1 366 366 LEU CA C 366 53.898 53.898 55.035 -1.137 25829 1475 1 4 . 1 1 366 366 LEU CB C 366 40.569 40.569 42.048 -1.479 25829 1476 1 4 . 1 1 366 366 LEU H H 366 7.813 7.813 8.317 -0.504 25829 1477 1 4 . 1 1 367 367 GLY N N 367 105.744 105.744 105.578 0.166 25829 1478 1 4 . 1 1 367 367 GLY CA C 367 44.900 44.900 45.153 -0.253 25829 1479 1 4 . 1 1 367 367 GLY H H 367 7.636 7.636 7.387 0.249 25829 1480 1 4 . 1 1 368 368 TYR N N 368 119.550 119.550 120.069 -0.519 25829 1481 1 4 . 1 1 368 368 TYR HA H 368 4.450 4.450 4.320 0.130 25829 1482 1 4 . 1 1 368 368 TYR CA C 368 58.960 58.960 59.158 -0.198 25829 1483 1 4 . 1 1 368 368 TYR CB C 368 37.990 37.990 39.093 -1.103 25829 1484 1 4 . 1 1 368 368 TYR H H 368 7.958 7.958 7.921 0.037 25829 1485 1 4 . 1 1 369 369 GLN N N 369 123.108 123.108 122.605 0.503 25829 1486 1 4 . 1 1 369 369 GLN HA H 369 4.600 4.600 4.457 0.143 25829 1487 1 4 . 1 1 369 369 GLN CA C 369 53.400 53.400 55.644 -2.244 25829 1488 1 4 . 1 1 369 369 GLN CB C 369 27.110 27.110 28.747 -1.637 25829 1489 1 4 . 1 1 369 369 GLN H H 369 9.767 9.767 8.704 1.063 25829 1490 1 4 . 1 1 370 370 PRO HA H 370 4.057 4.057 4.307 -0.250 25829 1491 1 4 . 1 1 370 370 PRO CA C 370 66.262 66.262 65.552 0.710 25829 1492 1 4 . 1 1 370 370 PRO CB C 370 31.384 31.384 31.907 -0.523 25829 1493 1 4 . 1 1 371 371 GLU N N 371 116.204 116.204 117.838 -1.634 25829 1494 1 4 . 1 1 371 371 GLU HA H 371 4.111 4.111 4.068 0.043 25829 1495 1 4 . 1 1 371 371 GLU CA C 371 58.661 58.661 59.551 -0.890 25829 1496 1 4 . 1 1 371 371 GLU CB C 371 27.741 27.741 28.286 -0.545 25829 1497 1 4 . 1 1 371 371 GLU H H 371 9.493 9.493 9.133 0.360 25829 1498 1 4 . 1 1 372 372 HIS N N 372 120.310 120.310 119.141 1.169 25829 1499 1 4 . 1 1 372 372 HIS HA H 372 4.425 4.425 4.213 0.212 25829 1500 1 4 . 1 1 372 372 HIS CA C 372 57.070 57.070 59.644 -2.574 25829 1501 1 4 . 1 1 372 372 HIS CB C 372 31.818 31.818 30.268 1.550 25829 1502 1 4 . 1 1 372 372 HIS H H 372 7.424 7.424 7.679 -0.255 25829 1503 1 4 . 1 1 373 373 ILE N N 373 120.390 120.390 120.536 -0.146 25829 1504 1 4 . 1 1 373 373 ILE HA H 373 3.708 3.708 4.003 -0.295 25829 1505 1 4 . 1 1 373 373 ILE CA C 373 65.480 65.480 65.827 -0.347 25829 1506 1 4 . 1 1 373 373 ILE CB C 373 37.329 37.329 37.834 -0.505 25829 1507 1 4 . 1 1 373 373 ILE H H 373 7.950 7.950 7.697 0.253 25829 1508 1 4 . 1 1 374 374 ASP N N 374 117.990 117.990 120.642 -2.652 25829 1509 1 4 . 1 1 374 374 ASP HA H 374 4.508 4.508 4.517 -0.009 25829 1510 1 4 . 1 1 374 374 ASP CA C 374 56.504 56.504 57.805 -1.301 25829 1511 1 4 . 1 1 374 374 ASP CB C 374 40.175 40.175 40.560 -0.386 25829 1512 1 4 . 1 1 374 374 ASP H H 374 8.142 8.142 8.115 0.027 25829 1513 1 4 . 1 1 375 375 SER N N 375 115.373 115.373 115.204 0.169 25829 1514 1 4 . 1 1 375 375 SER HA H 375 4.207 4.207 4.105 0.102 25829 1515 1 4 . 1 1 375 375 SER CA C 375 60.962 60.962 60.802 0.160 25829 1516 1 4 . 1 1 375 375 SER CB C 375 61.999 61.999 63.137 -1.138 25829 1517 1 4 . 1 1 375 375 SER H H 375 7.485 7.485 8.030 -0.545 25829 1518 1 4 . 1 1 376 376 PHE N N 376 120.335 120.335 117.048 3.287 25829 1519 1 4 . 1 1 376 376 PHE HA H 376 4.503 4.503 4.451 0.052 25829 1520 1 4 . 1 1 376 376 PHE CA C 376 58.170 58.170 59.189 -1.019 25829 1521 1 4 . 1 1 376 376 PHE CB C 376 37.729 37.729 39.288 -1.559 25829 1522 1 4 . 1 1 376 376 PHE H H 376 7.787 7.787 7.909 -0.122 25829 1523 1 4 . 1 1 377 377 THR N N 377 110.175 110.175 113.139 -2.964 25829 1524 1 4 . 1 1 377 377 THR HA H 377 3.908 3.908 4.283 -0.375 25829 1525 1 4 . 1 1 377 377 THR CA C 377 64.888 64.888 65.735 -0.847 25829 1526 1 4 . 1 1 377 377 THR CB C 377 68.990 68.990 68.592 0.398 25829 1527 1 4 . 1 1 377 377 THR H H 377 7.777 7.777 8.604 -0.827 25829 1528 1 4 . 1 1 378 378 HIS N N 378 116.164 116.164 119.684 -3.520 25829 1529 1 4 . 1 1 378 378 HIS HA H 378 4.630 4.630 4.722 -0.092 25829 1530 1 4 . 1 1 378 378 HIS CA C 378 55.189 55.189 57.000 -1.811 25829 1531 1 4 . 1 1 378 378 HIS CB C 378 28.700 28.700 30.360 -1.660 25829 1532 1 4 . 1 1 378 378 HIS H H 378 7.473 7.473 8.025 -0.552 25829 1533 1 4 . 1 1 379 379 GLU N N 379 119.465 119.465 120.886 -1.421 25829 1534 1 4 . 1 1 379 379 GLU HA H 379 4.194 4.194 4.518 -0.324 25829 1535 1 4 . 1 1 379 379 GLU CA C 379 54.632 54.632 55.250 -0.618 25829 1536 1 4 . 1 1 379 379 GLU CB C 379 29.247 29.247 31.434 -2.187 25829 1537 1 4 . 1 1 379 379 GLU H H 379 7.229 7.229 7.590 -0.361 25829 1538 1 4 . 1 1 380 380 ALA N N 380 123.121 123.121 126.549 -3.428 25829 1539 1 4 . 1 1 380 380 ALA HA H 380 3.983 3.983 4.230 -0.247 25829 1540 1 4 . 1 1 380 380 ALA CA C 380 54.134 54.134 53.328 0.806 25829 1541 1 4 . 1 1 380 380 ALA CB C 380 17.480 17.480 19.043 -1.562 25829 1542 1 4 . 1 1 380 380 ALA H H 380 8.624 8.624 8.436 0.188 25829 1543 1 4 . 1 1 381 381 CYS N N 381 114.618 114.618 117.101 -2.483 25829 1544 1 4 . 1 1 381 381 CYS HA H 381 4.650 4.650 4.880 -0.230 25829 1545 1 4 . 1 1 381 381 CYS CA C 381 54.700 54.700 56.088 -1.388 25829 1546 1 4 . 1 1 381 381 CYS CB C 381 26.580 26.580 28.378 -1.798 25829 1547 1 4 . 1 1 381 381 CYS H H 381 7.962 7.962 7.968 -0.006 25829 1548 1 4 . 1 1 382 382 PRO HA H 382 3.530 3.530 3.978 -0.448 25829 1549 1 4 . 1 1 382 382 PRO CA C 382 65.150 65.150 65.031 0.119 25829 1550 1 4 . 1 1 382 382 PRO CB C 382 30.400 30.400 30.986 -0.586 25829 1551 1 4 . 1 1 383 383 VAL N N 383 114.288 114.288 118.928 -4.640 25829 1552 1 4 . 1 1 383 383 VAL HA H 383 3.250 3.250 3.185 0.065 25829 1553 1 4 . 1 1 383 383 VAL CA C 383 65.300 65.300 65.133 0.167 25829 1554 1 4 . 1 1 383 383 VAL CB C 383 30.489 30.489 31.323 -0.834 25829 1555 1 4 . 1 1 383 383 VAL H H 383 7.935 7.935 7.823 0.112 25829 1556 1 4 . 1 1 384 384 ARG N N 384 120.700 120.700 118.364 2.336 25829 1557 1 4 . 1 1 384 384 ARG HA H 384 3.782 3.782 4.109 -0.327 25829 1558 1 4 . 1 1 384 384 ARG CA C 384 58.700 58.700 59.322 -0.622 25829 1559 1 4 . 1 1 384 384 ARG CB C 384 29.545 29.545 29.705 -0.160 25829 1560 1 4 . 1 1 384 384 ARG H H 384 7.253 7.253 7.429 -0.176 25829 1561 1 4 . 1 1 385 385 ALA N N 385 121.849 121.849 122.631 -0.782 25829 1562 1 4 . 1 1 385 385 ALA HA H 385 4.010 4.010 4.070 -0.060 25829 1563 1 4 . 1 1 385 385 ALA CA C 385 54.015 54.015 54.872 -0.857 25829 1564 1 4 . 1 1 385 385 ALA CB C 385 17.600 17.600 18.382 -0.782 25829 1565 1 4 . 1 1 385 385 ALA H H 385 7.371 7.371 7.360 0.011 25829 1566 1 4 . 1 1 386 386 LEU N N 386 120.978 120.978 119.931 1.047 25829 1567 1 4 . 1 1 386 386 LEU HA H 386 2.817 2.817 3.647 -0.830 25829 1568 1 4 . 1 1 386 386 LEU CA C 386 56.800 56.800 57.733 -0.934 25829 1569 1 4 . 1 1 386 386 LEU CB C 386 40.600 40.600 41.611 -1.011 25829 1570 1 4 . 1 1 386 386 LEU H H 386 7.999 7.999 7.941 0.058 25829 1571 1 4 . 1 1 387 387 LEU N N 387 117.377 117.377 118.026 -0.649 25829 1572 1 4 . 1 1 387 387 LEU HA H 387 4.040 4.040 3.862 0.178 25829 1573 1 4 . 1 1 387 387 LEU CA C 387 57.390 57.390 57.809 -0.419 25829 1574 1 4 . 1 1 387 387 LEU CB C 387 40.200 40.200 41.262 -1.062 25829 1575 1 4 . 1 1 387 387 LEU H H 387 7.973 7.973 7.661 0.312 25829 1576 1 4 . 1 1 388 388 ALA N N 388 120.700 120.700 122.392 -1.692 25829 1577 1 4 . 1 1 388 388 ALA HA H 388 4.110 4.110 4.011 0.099 25829 1578 1 4 . 1 1 388 388 ALA CA C 388 54.162 54.162 55.323 -1.161 25829 1579 1 4 . 1 1 388 388 ALA CB C 388 17.437 17.437 18.130 -0.693 25829 1580 1 4 . 1 1 388 388 ALA H H 388 8.086 8.086 7.973 0.113 25829 1581 1 4 . 1 1 389 389 SER N N 389 111.963 111.963 113.763 -1.800 25829 1582 1 4 . 1 1 389 389 SER HA H 389 4.386 4.386 4.397 -0.011 25829 1583 1 4 . 1 1 389 389 SER CA C 389 59.878 59.878 60.765 -0.887 25829 1584 1 4 . 1 1 389 389 SER CB C 389 62.639 62.639 63.620 -0.981 25829 1585 1 4 . 1 1 389 389 SER H H 389 7.446 7.446 8.283 -0.837 25829 1586 1 4 . 1 1 390 390 TRP N N 390 125.600 125.600 122.912 2.688 25829 1587 1 4 . 1 1 390 390 TRP HA H 390 4.319 4.319 4.673 -0.354 25829 1588 1 4 . 1 1 390 390 TRP CA C 390 60.946 60.946 60.500 0.446 25829 1589 1 4 . 1 1 390 390 TRP CB C 390 27.482 27.482 29.942 -2.460 25829 1590 1 4 . 1 1 390 390 TRP H H 390 9.032 9.032 8.374 0.658 25829 1591 1 4 . 1 1 391 391 ALA N N 391 114.481 114.481 120.161 -5.680 25829 1592 1 4 . 1 1 391 391 ALA HA H 391 3.583 3.583 4.217 -0.634 25829 1593 1 4 . 1 1 391 391 ALA CA C 391 52.859 52.859 54.354 -1.495 25829 1594 1 4 . 1 1 391 391 ALA CB C 391 18.590 18.590 18.630 -0.040 25829 1595 1 4 . 1 1 391 391 ALA H H 391 8.312 8.312 8.103 0.209 25829 1596 1 4 . 1 1 392 392 THR N N 392 106.369 106.369 110.726 -4.357 25829 1597 1 4 . 1 1 392 392 THR HA H 392 4.196 4.196 4.184 0.012 25829 1598 1 4 . 1 1 392 392 THR CA C 392 62.128 62.128 63.466 -1.338 25829 1599 1 4 . 1 1 392 392 THR CB C 392 69.100 69.100 68.330 0.770 25829 1600 1 4 . 1 1 392 392 THR H H 392 7.238 7.238 7.733 -0.495 25829 1601 1 4 . 1 1 393 393 GLN N N 393 121.193 121.193 120.162 1.031 25829 1602 1 4 . 1 1 393 393 GLN HA H 393 4.295 4.295 4.590 -0.295 25829 1603 1 4 . 1 1 393 393 GLN CA C 393 54.971 54.971 54.399 0.572 25829 1604 1 4 . 1 1 393 393 GLN CB C 393 29.130 29.130 31.755 -2.625 25829 1605 1 4 . 1 1 393 393 GLN H H 393 7.701 7.701 7.457 0.244 25829 1606 1 4 . 1 1 394 394 ASP N N 394 121.430 121.430 123.077 -1.647 25829 1607 1 4 . 1 1 394 394 ASP HA H 394 4.260 4.260 4.349 -0.089 25829 1608 1 4 . 1 1 394 394 ASP CA C 394 55.700 55.700 55.970 -0.270 25829 1609 1 4 . 1 1 394 394 ASP CB C 394 39.700 39.700 40.301 -0.601 25829 1610 1 4 . 1 1 394 394 ASP H H 394 8.623 8.623 8.707 -0.084 25829 1611 1 4 . 1 1 395 395 SER N N 395 108.500 108.500 114.158 -5.658 25829 1612 1 4 . 1 1 395 395 SER HA H 395 4.293 4.293 4.187 0.106 25829 1613 1 4 . 1 1 395 395 SER CA C 395 56.340 56.340 59.523 -3.183 25829 1614 1 4 . 1 1 395 395 SER CB C 395 62.319 62.319 62.875 -0.556 25829 1615 1 4 . 1 1 395 395 SER H H 395 7.437 7.437 8.128 -0.691 25829 1616 1 4 . 1 1 396 396 ALA N N 396 127.500 127.500 124.777 2.723 25829 1617 1 4 . 1 1 396 396 ALA HA H 396 3.974 3.974 1.919 2.055 25829 1618 1 4 . 1 1 396 396 ALA CA C 396 51.617 51.617 50.509 1.108 25829 1619 1 4 . 1 1 396 396 ALA CB C 396 15.670 15.670 17.110 -1.440 25829 1620 1 4 . 1 1 396 396 ALA H H 396 7.077 7.077 7.200 -0.123 25829 1621 1 4 . 1 1 397 397 THR N N 397 115.344 115.344 111.672 3.672 25829 1622 1 4 . 1 1 397 397 THR HA H 397 4.760 4.760 4.608 0.152 25829 1623 1 4 . 1 1 397 397 THR CA C 397 58.900 58.900 61.607 -2.707 25829 1624 1 4 . 1 1 397 397 THR CB C 397 70.600 70.600 70.448 0.152 25829 1625 1 4 . 1 1 397 397 THR H H 397 7.802 7.802 7.572 0.230 25829 1626 1 4 . 1 1 398 398 LEU N N 398 122.107 122.107 125.124 -3.017 25829 1627 1 4 . 1 1 398 398 LEU HA H 398 4.402 4.402 4.080 0.322 25829 1628 1 4 . 1 1 398 398 LEU CA C 398 57.949 57.949 58.450 -0.501 25829 1629 1 4 . 1 1 398 398 LEU CB C 398 40.435 40.435 41.609 -1.174 25829 1630 1 4 . 1 1 398 398 LEU H H 398 8.686 8.686 8.725 -0.039 25829 1631 1 4 . 1 1 399 399 ASP N N 399 116.774 116.774 119.063 -2.289 25829 1632 1 4 . 1 1 399 399 ASP HA H 399 4.340 4.340 4.320 0.020 25829 1633 1 4 . 1 1 399 399 ASP CA C 399 57.209 57.209 57.740 -0.531 25829 1634 1 4 . 1 1 399 399 ASP CB C 399 39.800 39.800 40.514 -0.714 25829 1635 1 4 . 1 1 399 399 ASP H H 399 8.592 8.592 8.327 0.265 25829 1636 1 4 . 1 1 400 400 ALA N N 400 123.457 123.457 122.960 0.497 25829 1637 1 4 . 1 1 400 400 ALA HA H 400 4.265 4.265 4.264 0.001 25829 1638 1 4 . 1 1 400 400 ALA CA C 400 54.429 54.429 55.068 -0.639 25829 1639 1 4 . 1 1 400 400 ALA CB C 400 17.800 17.800 18.683 -0.883 25829 1640 1 4 . 1 1 400 400 ALA H H 400 8.285 8.285 7.891 0.394 25829 1641 1 4 . 1 1 401 401 LEU N N 401 121.963 121.963 120.433 1.530 25829 1642 1 4 . 1 1 401 401 LEU HA H 401 3.774 3.774 3.873 -0.099 25829 1643 1 4 . 1 1 401 401 LEU CA C 401 57.306 57.306 57.988 -0.682 25829 1644 1 4 . 1 1 401 401 LEU CB C 401 40.560 40.560 42.189 -1.629 25829 1645 1 4 . 1 1 401 401 LEU H H 401 7.952 7.952 8.326 -0.374 25829 1646 1 4 . 1 1 402 402 LEU N N 402 117.440 117.440 118.504 -1.064 25829 1647 1 4 . 1 1 402 402 LEU HA H 402 3.837 3.837 3.878 -0.041 25829 1648 1 4 . 1 1 402 402 LEU CA C 402 57.400 57.400 58.000 -0.600 25829 1649 1 4 . 1 1 402 402 LEU CB C 402 39.700 39.700 41.394 -1.694 25829 1650 1 4 . 1 1 402 402 LEU H H 402 8.633 8.633 8.691 -0.058 25829 1651 1 4 . 1 1 403 403 ALA N N 403 119.971 119.971 121.383 -1.412 25829 1652 1 4 . 1 1 403 403 ALA HA H 403 3.993 3.993 3.953 0.040 25829 1653 1 4 . 1 1 403 403 ALA CA C 403 54.500 54.500 55.103 -0.603 25829 1654 1 4 . 1 1 403 403 ALA CB C 403 17.200 17.200 18.041 -0.841 25829 1655 1 4 . 1 1 403 403 ALA H H 403 8.132 8.132 8.027 0.105 25829 1656 1 4 . 1 1 404 404 ALA N N 404 121.297 121.297 121.325 -0.028 25829 1657 1 4 . 1 1 404 404 ALA HA H 404 3.815 3.815 4.010 -0.195 25829 1658 1 4 . 1 1 404 404 ALA CA C 404 54.800 54.800 54.645 0.155 25829 1659 1 4 . 1 1 404 404 ALA CB C 404 18.100 18.100 18.583 -0.483 25829 1660 1 4 . 1 1 404 404 ALA H H 404 7.610 7.610 7.882 -0.272 25829 1661 1 4 . 1 1 405 405 LEU N N 405 116.480 116.480 118.683 -2.203 25829 1662 1 4 . 1 1 405 405 LEU HA H 405 3.853 3.853 3.795 0.058 25829 1663 1 4 . 1 1 405 405 LEU CA C 405 56.591 56.591 57.915 -1.324 25829 1664 1 4 . 1 1 405 405 LEU CB C 405 41.000 41.000 41.680 -0.680 25829 1665 1 4 . 1 1 405 405 LEU H H 405 8.009 8.009 8.386 -0.377 25829 1666 1 4 . 1 1 406 406 ARG N N 406 118.300 118.300 117.521 0.779 25829 1667 1 4 . 1 1 406 406 ARG HA H 406 3.804 3.804 3.984 -0.180 25829 1668 1 4 . 1 1 406 406 ARG CA C 406 59.650 59.650 59.375 0.275 25829 1669 1 4 . 1 1 406 406 ARG CB C 406 29.300 29.300 29.789 -0.489 25829 1670 1 4 . 1 1 406 406 ARG H H 406 7.983 7.983 7.875 0.108 25829 1671 1 4 . 1 1 407 407 ARG N N 407 120.307 120.307 119.151 1.156 25829 1672 1 4 . 1 1 407 407 ARG HA H 407 4.085 4.085 4.163 -0.078 25829 1673 1 4 . 1 1 407 407 ARG CA C 407 59.552 59.552 58.111 1.441 25829 1674 1 4 . 1 1 407 407 ARG CB C 407 29.700 29.700 29.243 0.457 25829 1675 1 4 . 1 1 407 407 ARG H H 407 7.916 7.916 7.711 0.205 25829 1676 1 4 . 1 1 408 408 ILE N N 408 110.637 110.637 111.843 -1.206 25829 1677 1 4 . 1 1 408 408 ILE HA H 408 4.530 4.530 4.428 0.102 25829 1678 1 4 . 1 1 408 408 ILE CA C 408 60.500 60.500 60.244 0.256 25829 1679 1 4 . 1 1 408 408 ILE CB C 408 36.148 36.148 37.196 -1.048 25829 1680 1 4 . 1 1 408 408 ILE H H 408 7.274 7.274 7.199 0.075 25829 1681 1 4 . 1 1 409 409 GLN N N 409 113.647 113.647 117.653 -4.006 25829 1682 1 4 . 1 1 409 409 GLN HA H 409 3.962 3.962 3.955 0.007 25829 1683 1 4 . 1 1 409 409 GLN CA C 409 56.289 56.289 57.331 -1.042 25829 1684 1 4 . 1 1 409 409 GLN CB C 409 24.550 24.550 26.240 -1.690 25829 1685 1 4 . 1 1 409 409 GLN H H 409 7.714 7.714 7.641 0.073 25829 1686 1 4 . 1 1 410 410 ARG N N 410 117.152 117.152 116.743 0.409 25829 1687 1 4 . 1 1 410 410 ARG HA H 410 5.039 5.039 4.628 0.411 25829 1688 1 4 . 1 1 410 410 ARG CA C 410 50.920 50.920 54.317 -3.397 25829 1689 1 4 . 1 1 410 410 ARG CB C 410 26.600 26.600 30.615 -4.015 25829 1690 1 4 . 1 1 410 410 ARG H H 410 8.029 8.029 8.121 -0.092 25829 1691 1 4 . 1 1 411 411 ALA N N 411 123.065 123.065 123.256 -0.191 25829 1692 1 4 . 1 1 411 411 ALA HA H 411 3.854 3.854 3.851 0.003 25829 1693 1 4 . 1 1 411 411 ALA CA C 411 54.287 54.287 55.450 -1.163 25829 1694 1 4 . 1 1 411 411 ALA CB C 411 17.691 17.691 18.382 -0.691 25829 1695 1 4 . 1 1 411 411 ALA H H 411 8.121 8.121 8.500 -0.379 25829 1696 1 4 . 1 1 412 412 ASP N N 412 116.575 116.575 118.013 -1.438 25829 1697 1 4 . 1 1 412 412 ASP HA H 412 4.251 4.251 4.313 -0.062 25829 1698 1 4 . 1 1 412 412 ASP CA C 412 55.566 55.566 56.204 -0.638 25829 1699 1 4 . 1 1 412 412 ASP CB C 412 38.000 38.000 39.473 -1.473 25829 1700 1 4 . 1 1 412 412 ASP H H 412 8.916 8.916 8.340 0.576 25829 1701 1 4 . 1 1 413 413 LEU N N 413 120.881 120.881 121.479 -0.598 25829 1702 1 4 . 1 1 413 413 LEU HA H 413 4.134 4.134 4.080 0.054 25829 1703 1 4 . 1 1 413 413 LEU CA C 413 56.251 56.251 56.794 -0.543 25829 1704 1 4 . 1 1 413 413 LEU CB C 413 41.190 41.190 42.087 -0.897 25829 1705 1 4 . 1 1 413 413 LEU H H 413 7.497 7.497 7.456 0.041 25829 1706 1 4 . 1 1 414 414 VAL N N 414 117.403 117.403 119.483 -2.080 25829 1707 1 4 . 1 1 414 414 VAL HA H 414 3.475 3.475 3.501 -0.026 25829 1708 1 4 . 1 1 414 414 VAL CA C 414 65.682 65.682 67.351 -1.669 25829 1709 1 4 . 1 1 414 414 VAL CB C 414 31.000 31.000 31.263 -0.263 25829 1710 1 4 . 1 1 414 414 VAL H H 414 7.158 7.158 8.418 -1.260 25829 1711 1 4 . 1 1 415 415 GLU N N 415 118.645 118.645 119.697 -1.052 25829 1712 1 4 . 1 1 415 415 GLU HA H 415 3.957 3.957 3.937 0.020 25829 1713 1 4 . 1 1 415 415 GLU CA C 415 58.698 58.698 59.880 -1.182 25829 1714 1 4 . 1 1 415 415 GLU CB C 415 28.535 28.535 29.416 -0.881 25829 1715 1 4 . 1 1 415 415 GLU H H 415 8.023 8.023 7.920 0.103 25829 1716 1 4 . 1 1 416 416 SER N N 416 113.570 113.570 114.843 -1.273 25829 1717 1 4 . 1 1 416 416 SER HA H 416 4.230 4.230 4.231 -0.001 25829 1718 1 4 . 1 1 416 416 SER CA C 416 60.774 60.774 61.937 -1.163 25829 1719 1 4 . 1 1 416 416 SER CB C 416 62.641 62.641 63.325 -0.684 25829 1720 1 4 . 1 1 416 416 SER H H 416 7.668 7.668 7.536 0.132 25829 1721 1 4 . 1 1 417 417 LEU N N 417 120.278 120.278 120.617 -0.339 25829 1722 1 4 . 1 1 417 417 LEU HA H 417 4.220 4.220 4.260 -0.040 25829 1723 1 4 . 1 1 417 417 LEU CA C 417 55.974 55.974 57.000 -1.026 25829 1724 1 4 . 1 1 417 417 LEU CB C 417 42.477 42.477 42.257 0.220 25829 1725 1 4 . 1 1 417 417 LEU H H 417 7.727 7.727 7.631 0.096 25829 1726 1 4 . 1 1 418 418 CYS N N 418 116.200 116.200 118.367 -2.167 25829 1727 1 4 . 1 1 418 418 CYS HA H 418 4.490 4.490 4.041 0.449 25829 1728 1 4 . 1 1 418 418 CYS CA C 418 59.010 59.010 62.146 -3.136 25829 1729 1 4 . 1 1 418 418 CYS CB C 418 27.300 27.300 27.301 -0.001 25829 1730 1 4 . 1 1 418 418 CYS H H 418 7.855 7.855 8.574 -0.719 25829 1731 1 4 . 1 1 419 419 SER N N 419 116.680 116.680 114.865 1.815 25829 1732 1 4 . 1 1 419 419 SER HA H 419 4.402 4.402 4.218 0.184 25829 1733 1 4 . 1 1 419 419 SER CA C 419 58.284 58.284 60.888 -2.604 25829 1734 1 4 . 1 1 419 419 SER CB C 419 63.179 63.179 63.279 -0.099 25829 1735 1 4 . 1 1 419 419 SER H H 419 7.813 7.813 7.649 0.164 25829 1736 1 4 . 1 1 420 420 GLU N N 420 122.629 122.629 119.245 3.384 25829 1737 1 4 . 1 1 420 420 GLU HA H 420 4.338 4.338 4.343 -0.005 25829 1738 1 4 . 1 1 420 420 GLU CA C 420 56.021 56.021 56.672 -0.651 25829 1739 1 4 . 1 1 420 420 GLU CB C 420 29.569 29.569 30.126 -0.557 25829 1740 1 4 . 1 1 420 420 GLU H H 420 8.456 8.456 7.583 0.873 25829 1741 1 4 . 1 1 421 421 SER N N 421 116.600 116.600 116.153 0.447 25829 1742 1 4 . 1 1 421 421 SER HA H 421 4.470 4.470 4.421 0.049 25829 1743 1 4 . 1 1 421 421 SER CA C 421 57.800 57.800 57.555 0.245 25829 1744 1 4 . 1 1 421 421 SER CB C 421 63.180 63.180 62.452 0.728 25829 1745 1 4 . 1 1 421 421 SER H H 421 8.321 8.321 7.815 0.506 25829 1746 1 4 . 1 1 422 422 THR N N 422 115.756 115.756 115.410 0.346 25829 1747 1 4 . 1 1 422 422 THR HA H 422 4.331 4.331 4.253 0.078 25829 1748 1 4 . 1 1 422 422 THR CA C 422 61.100 61.100 62.146 -1.046 25829 1749 1 4 . 1 1 422 422 THR CB C 422 69.000 69.000 67.045 1.955 25829 1750 1 4 . 1 1 422 422 THR H H 422 8.144 8.144 7.727 0.417 25829 1751 1 4 . 1 1 423 423 ALA N N 423 126.280 126.280 124.952 1.328 25829 1752 1 4 . 1 1 423 423 ALA HA H 423 4.369 4.369 4.357 0.012 25829 1753 1 4 . 1 1 423 423 ALA CA C 423 52.060 52.060 53.585 -1.525 25829 1754 1 4 . 1 1 423 423 ALA CB C 423 18.600 18.600 19.266 -0.666 25829 1755 1 4 . 1 1 423 423 ALA H H 423 8.233 8.233 8.053 0.180 25829 1756 1 4 . 1 1 424 424 THR N N 424 113.047 113.047 112.994 0.053 25829 1757 1 4 . 1 1 424 424 THR HA H 424 4.316 4.316 4.478 -0.162 25829 1758 1 4 . 1 1 424 424 THR CA C 424 60.990 60.990 61.858 -0.868 25829 1759 1 4 . 1 1 424 424 THR CB C 424 69.200 69.200 67.490 1.710 25829 1760 1 4 . 1 1 424 424 THR H H 424 8.061 8.061 8.217 -0.156 25829 1761 1 4 . 1 1 425 425 SER N N 425 119.479 119.479 122.000 -2.521 25829 1762 1 4 . 1 1 425 425 SER HA H 425 4.755 4.755 4.817 -0.062 25829 1763 1 4 . 1 1 425 425 SER CA C 425 55.720 55.720 56.609 -0.889 25829 1764 1 4 . 1 1 425 425 SER CB C 425 62.800 62.800 64.114 -1.314 25829 1765 1 4 . 1 1 425 425 SER H H 425 8.215 8.215 8.007 0.208 25829 1766 1 4 . 1 1 426 426 PRO HA H 426 4.461 4.461 4.644 -0.183 25829 1767 1 4 . 1 1 426 426 PRO CA C 426 62.851 62.851 62.834 0.017 25829 1768 1 4 . 1 1 426 426 PRO CB C 426 31.308 31.308 32.009 -0.701 25829 1769 1 5 . 1 1 335 335 LEU N N 335 120.860 120.860 123.321 -2.461 25829 1770 1 5 . 1 1 335 335 LEU HA H 335 4.203 4.203 4.488 -0.285 25829 1771 1 5 . 1 1 335 335 LEU CA C 335 54.890 54.890 54.253 0.637 25829 1772 1 5 . 1 1 335 335 LEU CB C 335 40.860 40.860 44.017 -3.157 25829 1773 1 5 . 1 1 335 335 LEU H H 335 8.289 8.289 8.429 -0.140 25829 1774 1 5 . 1 1 336 336 TYR N N 336 127.150 127.150 124.252 2.898 25829 1775 1 5 . 1 1 336 336 TYR HA H 336 4.042 4.042 4.198 -0.156 25829 1776 1 5 . 1 1 336 336 TYR CA C 336 61.360 61.360 61.128 0.232 25829 1777 1 5 . 1 1 336 336 TYR CB C 336 38.768 38.768 38.934 -0.166 25829 1778 1 5 . 1 1 336 336 TYR H H 336 9.027 9.027 8.966 0.061 25829 1779 1 5 . 1 1 337 337 SER N N 337 111.560 111.560 113.022 -1.462 25829 1780 1 5 . 1 1 337 337 SER HA H 337 3.926 3.926 4.113 -0.187 25829 1781 1 5 . 1 1 337 337 SER CA C 337 59.251 59.251 60.309 -1.058 25829 1782 1 5 . 1 1 337 337 SER CB C 337 62.235 62.235 62.602 -0.367 25829 1783 1 5 . 1 1 337 337 SER H H 337 9.318 9.318 8.614 0.704 25829 1784 1 5 . 1 1 338 338 SER N N 338 115.800 115.800 115.455 0.345 25829 1785 1 5 . 1 1 338 338 SER HA H 338 4.465 4.465 4.339 0.126 25829 1786 1 5 . 1 1 338 338 SER CA C 338 58.120 58.120 59.087 -0.967 25829 1787 1 5 . 1 1 338 338 SER CB C 338 63.663 63.663 63.508 0.155 25829 1788 1 5 . 1 1 338 338 SER H H 338 7.459 7.459 7.645 -0.186 25829 1789 1 5 . 1 1 339 339 LEU N N 339 123.972 123.972 122.894 1.078 25829 1790 1 5 . 1 1 339 339 LEU HA H 339 4.366 4.366 4.326 0.040 25829 1791 1 5 . 1 1 339 339 LEU CA C 339 52.936 52.936 53.615 -0.679 25829 1792 1 5 . 1 1 339 339 LEU CB C 339 40.889 40.889 41.240 -0.351 25829 1793 1 5 . 1 1 339 339 LEU H H 339 7.520 7.520 7.224 0.296 25829 1794 1 5 . 1 1 340 340 PRO HA H 340 4.723 4.723 4.645 0.078 25829 1795 1 5 . 1 1 340 340 PRO CA C 340 60.800 60.800 61.461 -0.661 25829 1796 1 5 . 1 1 340 340 PRO CB C 340 27.300 27.300 31.012 -3.712 25829 1797 1 5 . 1 1 341 341 PRO HA H 341 3.971 3.971 4.187 -0.216 25829 1798 1 5 . 1 1 341 341 PRO CA C 341 65.204 65.204 65.562 -0.358 25829 1799 1 5 . 1 1 341 341 PRO CB C 341 31.100 31.100 31.521 -0.421 25829 1800 1 5 . 1 1 342 342 ALA N N 342 117.460 117.460 121.724 -4.264 25829 1801 1 5 . 1 1 342 342 ALA HA H 342 4.125 4.125 4.028 0.097 25829 1802 1 5 . 1 1 342 342 ALA CA C 342 54.529 54.529 55.214 -0.685 25829 1803 1 5 . 1 1 342 342 ALA CB C 342 17.700 17.700 18.076 -0.376 25829 1804 1 5 . 1 1 342 342 ALA H H 342 8.625 8.625 8.271 0.354 25829 1805 1 5 . 1 1 343 343 LYS N N 343 117.364 117.364 118.723 -1.359 25829 1806 1 5 . 1 1 343 343 LYS HA H 343 4.295 4.295 3.998 0.297 25829 1807 1 5 . 1 1 343 343 LYS CA C 343 56.167 56.167 59.218 -3.051 25829 1808 1 5 . 1 1 343 343 LYS CB C 343 30.889 30.889 31.897 -1.008 25829 1809 1 5 . 1 1 343 343 LYS H H 343 7.254 7.254 7.743 -0.489 25829 1810 1 5 . 1 1 344 344 ARG N N 344 118.680 118.680 118.109 0.571 25829 1811 1 5 . 1 1 344 344 ARG HA H 344 3.850 3.850 4.223 -0.373 25829 1812 1 5 . 1 1 344 344 ARG CA C 344 59.660 59.660 59.296 0.364 25829 1813 1 5 . 1 1 344 344 ARG CB C 344 29.300 29.300 30.066 -0.766 25829 1814 1 5 . 1 1 344 344 ARG H H 344 7.410 7.410 7.584 -0.174 25829 1815 1 5 . 1 1 345 345 GLU N N 345 118.035 118.035 119.530 -1.495 25829 1816 1 5 . 1 1 345 345 GLU HA H 345 3.926 3.926 4.137 -0.211 25829 1817 1 5 . 1 1 345 345 GLU CA C 345 58.720 58.720 59.347 -0.627 25829 1818 1 5 . 1 1 345 345 GLU CB C 345 28.600 28.600 29.393 -0.793 25829 1819 1 5 . 1 1 345 345 GLU H H 345 8.267 8.267 7.813 0.454 25829 1820 1 5 . 1 1 346 346 GLU N N 346 119.810 119.810 120.074 -0.264 25829 1821 1 5 . 1 1 346 346 GLU HA H 346 3.950 3.950 4.142 -0.192 25829 1822 1 5 . 1 1 346 346 GLU CA C 346 59.000 59.000 59.330 -0.330 25829 1823 1 5 . 1 1 346 346 GLU CB C 346 29.113 29.113 29.314 -0.201 25829 1824 1 5 . 1 1 346 346 GLU H H 346 7.444 7.444 8.447 -1.003 25829 1825 1 5 . 1 1 347 347 VAL N N 347 119.540 119.540 119.052 0.488 25829 1826 1 5 . 1 1 347 347 VAL HA H 347 3.470 3.470 3.715 -0.245 25829 1827 1 5 . 1 1 347 347 VAL CA C 347 66.267 66.267 66.681 -0.414 25829 1828 1 5 . 1 1 347 347 VAL CB C 347 30.800 30.800 31.263 -0.463 25829 1829 1 5 . 1 1 347 347 VAL H H 347 7.938 7.938 8.652 -0.714 25829 1830 1 5 . 1 1 348 348 GLU N N 348 118.250 118.250 119.586 -1.336 25829 1831 1 5 . 1 1 348 348 GLU HA H 348 3.513 3.513 4.140 -0.627 25829 1832 1 5 . 1 1 348 348 GLU CA C 348 59.609 59.609 59.418 0.191 25829 1833 1 5 . 1 1 348 348 GLU CB C 348 28.620 28.620 29.574 -0.954 25829 1834 1 5 . 1 1 348 348 GLU H H 348 8.094 8.094 7.592 0.502 25829 1835 1 5 . 1 1 349 349 LYS N N 349 118.860 118.860 119.613 -0.753 25829 1836 1 5 . 1 1 349 349 LYS HA H 349 3.948 3.948 4.062 -0.114 25829 1837 1 5 . 1 1 349 349 LYS CA C 349 59.000 59.000 59.585 -0.585 25829 1838 1 5 . 1 1 349 349 LYS CB C 349 31.809 31.809 32.617 -0.808 25829 1839 1 5 . 1 1 349 349 LYS H H 349 8.319 8.319 8.278 0.041 25829 1840 1 5 . 1 1 350 350 LEU N N 350 120.820 120.820 117.642 3.178 25829 1841 1 5 . 1 1 350 350 LEU HA H 350 4.050 4.050 4.234 -0.184 25829 1842 1 5 . 1 1 350 350 LEU CA C 350 56.954 56.954 57.583 -0.629 25829 1843 1 5 . 1 1 350 350 LEU CB C 350 41.300 41.300 42.203 -0.902 25829 1844 1 5 . 1 1 350 350 LEU H H 350 8.020 8.020 8.137 -0.117 25829 1845 1 5 . 1 1 351 351 LEU N N 351 117.800 117.800 119.889 -2.089 25829 1846 1 5 . 1 1 351 351 LEU HA H 351 4.020 4.020 3.998 0.022 25829 1847 1 5 . 1 1 351 351 LEU CA C 351 56.700 56.700 57.046 -0.346 25829 1848 1 5 . 1 1 351 351 LEU CB C 351 41.470 41.470 41.460 0.010 25829 1849 1 5 . 1 1 351 351 LEU H H 351 8.205 8.205 7.452 0.753 25829 1850 1 5 . 1 1 352 352 ASN N N 352 118.847 118.847 115.389 3.458 25829 1851 1 5 . 1 1 352 352 ASN HA H 352 4.487 4.487 4.603 -0.116 25829 1852 1 5 . 1 1 352 352 ASN CA C 352 54.980 54.980 55.074 -0.094 25829 1853 1 5 . 1 1 352 352 ASN CB C 352 38.660 38.660 38.501 0.160 25829 1854 1 5 . 1 1 352 352 ASN H H 352 8.613 8.613 7.933 0.680 25829 1855 1 5 . 1 1 353 353 GLY N N 353 104.836 104.836 106.511 -1.675 25829 1856 1 5 . 1 1 353 353 GLY CA C 353 45.100 45.100 44.690 0.410 25829 1857 1 5 . 1 1 353 353 GLY H H 353 7.803 7.803 7.505 0.298 25829 1858 1 5 . 1 1 354 354 SER N N 354 115.370 115.370 116.909 -1.539 25829 1859 1 5 . 1 1 354 354 SER HA H 354 4.530 4.530 4.252 0.278 25829 1860 1 5 . 1 1 354 354 SER CA C 354 58.317 58.317 58.387 -0.070 25829 1861 1 5 . 1 1 354 354 SER CB C 354 63.678 63.678 64.119 -0.441 25829 1862 1 5 . 1 1 354 354 SER H H 354 7.567 7.567 7.408 0.159 25829 1863 1 5 . 1 1 355 355 ALA N N 355 124.206 124.206 124.085 0.121 25829 1864 1 5 . 1 1 355 355 ALA HA H 355 4.455 4.455 4.199 0.256 25829 1865 1 5 . 1 1 355 355 ALA CA C 355 51.960 51.960 52.816 -0.855 25829 1866 1 5 . 1 1 355 355 ALA CB C 355 18.545 18.545 19.373 -0.829 25829 1867 1 5 . 1 1 355 355 ALA H H 355 8.334 8.334 8.251 0.083 25829 1868 1 5 . 1 1 356 356 GLY N N 356 108.886 108.886 108.838 0.048 25829 1869 1 5 . 1 1 356 356 GLY CA C 356 46.340 46.340 46.782 -0.442 25829 1870 1 5 . 1 1 356 356 GLY H H 356 8.613 8.613 8.900 -0.287 25829 1871 1 5 . 1 1 357 357 ASP N N 357 119.161 119.161 116.868 2.293 25829 1872 1 5 . 1 1 357 357 ASP HA H 357 4.490 4.490 4.367 0.123 25829 1873 1 5 . 1 1 357 357 ASP CA C 357 53.700 53.700 52.895 0.805 25829 1874 1 5 . 1 1 357 357 ASP CB C 357 39.418 39.418 39.719 -0.301 25829 1875 1 5 . 1 1 357 357 ASP H H 357 8.534 8.534 7.950 0.584 25829 1876 1 5 . 1 1 358 358 THR N N 358 116.000 116.000 117.008 -1.008 25829 1877 1 5 . 1 1 358 358 THR HA H 358 3.855 3.855 3.781 0.074 25829 1878 1 5 . 1 1 358 358 THR CA C 358 66.123 66.123 67.601 -1.478 25829 1879 1 5 . 1 1 358 358 THR CB C 358 67.860 67.860 68.778 -0.918 25829 1880 1 5 . 1 1 358 358 THR H H 358 7.864 7.864 8.418 -0.554 25829 1881 1 5 . 1 1 359 359 TRP N N 359 118.670 118.670 119.274 -0.604 25829 1882 1 5 . 1 1 359 359 TRP HA H 359 3.930 3.930 4.183 -0.253 25829 1883 1 5 . 1 1 359 359 TRP CA C 359 59.500 59.500 59.145 0.354 25829 1884 1 5 . 1 1 359 359 TRP CB C 359 26.859 26.859 27.392 -0.534 25829 1885 1 5 . 1 1 359 359 TRP H H 359 8.287 8.287 8.465 -0.178 25829 1886 1 5 . 1 1 360 360 ARG N N 360 122.263 122.263 121.212 1.051 25829 1887 1 5 . 1 1 360 360 ARG HA H 360 2.995 2.995 3.235 -0.240 25829 1888 1 5 . 1 1 360 360 ARG CA C 360 58.797 58.797 58.996 -0.199 25829 1889 1 5 . 1 1 360 360 ARG CB C 360 28.650 28.650 29.359 -0.709 25829 1890 1 5 . 1 1 360 360 ARG H H 360 6.341 6.341 6.696 -0.355 25829 1891 1 5 . 1 1 361 361 HIS N N 361 120.604 120.604 118.382 2.222 25829 1892 1 5 . 1 1 361 361 HIS HA H 361 4.379 4.379 4.228 0.151 25829 1893 1 5 . 1 1 361 361 HIS CA C 361 57.124 57.124 59.205 -2.081 25829 1894 1 5 . 1 1 361 361 HIS CB C 361 29.551 29.551 29.983 -0.432 25829 1895 1 5 . 1 1 361 361 HIS H H 361 7.370 7.370 7.639 -0.269 25829 1896 1 5 . 1 1 362 362 LEU N N 362 120.734 120.734 120.249 0.485 25829 1897 1 5 . 1 1 362 362 LEU HA H 362 3.750 3.750 3.900 -0.150 25829 1898 1 5 . 1 1 362 362 LEU CA C 362 57.153 57.153 57.695 -0.542 25829 1899 1 5 . 1 1 362 362 LEU CB C 362 40.886 40.886 41.794 -0.907 25829 1900 1 5 . 1 1 362 362 LEU H H 362 8.365 8.365 7.847 0.518 25829 1901 1 5 . 1 1 363 363 ALA N N 363 118.919 118.919 120.595 -1.676 25829 1902 1 5 . 1 1 363 363 ALA HA H 363 3.824 3.824 3.966 -0.142 25829 1903 1 5 . 1 1 363 363 ALA CA C 363 54.910 54.910 55.440 -0.530 25829 1904 1 5 . 1 1 363 363 ALA CB C 363 18.000 18.000 18.020 -0.020 25829 1905 1 5 . 1 1 363 363 ALA H H 363 8.384 8.384 8.516 -0.132 25829 1906 1 5 . 1 1 364 364 GLY N N 364 103.970 103.970 106.243 -2.273 25829 1907 1 5 . 1 1 364 364 GLY CA C 364 46.452 46.452 47.161 -0.709 25829 1908 1 5 . 1 1 364 364 GLY H H 364 7.679 7.679 7.862 -0.183 25829 1909 1 5 . 1 1 365 365 GLU N N 365 122.387 122.387 120.463 1.924 25829 1910 1 5 . 1 1 365 365 GLU HA H 365 4.250 4.250 4.268 -0.018 25829 1911 1 5 . 1 1 365 365 GLU CA C 365 57.100 57.100 57.175 -0.075 25829 1912 1 5 . 1 1 365 365 GLU CB C 365 29.043 29.043 29.271 -0.228 25829 1913 1 5 . 1 1 365 365 GLU H H 365 7.724 7.724 7.839 -0.115 25829 1914 1 5 . 1 1 366 366 LEU N N 366 117.748 117.748 118.343 -0.595 25829 1915 1 5 . 1 1 366 366 LEU HA H 366 4.329 4.329 4.249 0.080 25829 1916 1 5 . 1 1 366 366 LEU CA C 366 53.898 53.898 54.724 -0.826 25829 1917 1 5 . 1 1 366 366 LEU CB C 366 40.569 40.569 42.200 -1.631 25829 1918 1 5 . 1 1 366 366 LEU H H 366 7.813 7.813 7.887 -0.074 25829 1919 1 5 . 1 1 367 367 GLY N N 367 105.744 105.744 105.678 0.066 25829 1920 1 5 . 1 1 367 367 GLY CA C 367 44.900 44.900 45.136 -0.236 25829 1921 1 5 . 1 1 367 367 GLY H H 367 7.636 7.636 7.394 0.242 25829 1922 1 5 . 1 1 368 368 TYR N N 368 119.550 119.550 120.880 -1.330 25829 1923 1 5 . 1 1 368 368 TYR HA H 368 4.450 4.450 4.202 0.248 25829 1924 1 5 . 1 1 368 368 TYR CA C 368 58.960 58.960 59.206 -0.246 25829 1925 1 5 . 1 1 368 368 TYR CB C 368 37.990 37.990 39.110 -1.120 25829 1926 1 5 . 1 1 368 368 TYR H H 368 7.958 7.958 7.888 0.070 25829 1927 1 5 . 1 1 369 369 GLN N N 369 123.108 123.108 123.142 -0.034 25829 1928 1 5 . 1 1 369 369 GLN HA H 369 4.600 4.600 4.398 0.202 25829 1929 1 5 . 1 1 369 369 GLN CA C 369 53.400 53.400 55.013 -1.613 25829 1930 1 5 . 1 1 369 369 GLN CB C 369 27.110 27.110 28.654 -1.544 25829 1931 1 5 . 1 1 369 369 GLN H H 369 9.767 9.767 8.386 1.381 25829 1932 1 5 . 1 1 370 370 PRO HA H 370 4.057 4.057 4.356 -0.299 25829 1933 1 5 . 1 1 370 370 PRO CA C 370 66.262 66.262 65.448 0.814 25829 1934 1 5 . 1 1 370 370 PRO CB C 370 31.384 31.384 31.931 -0.547 25829 1935 1 5 . 1 1 371 371 GLU N N 371 116.204 116.204 117.091 -0.887 25829 1936 1 5 . 1 1 371 371 GLU HA H 371 4.111 4.111 4.117 -0.006 25829 1937 1 5 . 1 1 371 371 GLU CA C 371 58.661 58.661 59.572 -0.911 25829 1938 1 5 . 1 1 371 371 GLU CB C 371 27.741 27.741 28.777 -1.036 25829 1939 1 5 . 1 1 371 371 GLU H H 371 9.493 9.493 8.944 0.549 25829 1940 1 5 . 1 1 372 372 HIS N N 372 120.310 120.310 118.916 1.394 25829 1941 1 5 . 1 1 372 372 HIS HA H 372 4.425 4.425 4.263 0.162 25829 1942 1 5 . 1 1 372 372 HIS CA C 372 57.070 57.070 58.934 -1.864 25829 1943 1 5 . 1 1 372 372 HIS CB C 372 31.818 31.818 30.172 1.646 25829 1944 1 5 . 1 1 372 372 HIS H H 372 7.424 7.424 7.811 -0.387 25829 1945 1 5 . 1 1 373 373 ILE N N 373 120.390 120.390 120.807 -0.417 25829 1946 1 5 . 1 1 373 373 ILE HA H 373 3.708 3.708 4.078 -0.370 25829 1947 1 5 . 1 1 373 373 ILE CA C 373 65.480 65.480 65.839 -0.359 25829 1948 1 5 . 1 1 373 373 ILE CB C 373 37.329 37.329 37.840 -0.511 25829 1949 1 5 . 1 1 373 373 ILE H H 373 7.950 7.950 7.744 0.206 25829 1950 1 5 . 1 1 374 374 ASP N N 374 117.990 117.990 120.517 -2.527 25829 1951 1 5 . 1 1 374 374 ASP HA H 374 4.508 4.508 4.545 -0.037 25829 1952 1 5 . 1 1 374 374 ASP CA C 374 56.504 56.504 57.497 -0.993 25829 1953 1 5 . 1 1 374 374 ASP CB C 374 40.175 40.175 40.218 -0.043 25829 1954 1 5 . 1 1 374 374 ASP H H 374 8.142 8.142 8.154 -0.012 25829 1955 1 5 . 1 1 375 375 SER N N 375 115.373 115.373 115.015 0.358 25829 1956 1 5 . 1 1 375 375 SER HA H 375 4.207 4.207 4.196 0.011 25829 1957 1 5 . 1 1 375 375 SER CA C 375 60.962 60.962 60.902 0.060 25829 1958 1 5 . 1 1 375 375 SER CB C 375 61.999 61.999 63.079 -1.080 25829 1959 1 5 . 1 1 375 375 SER H H 375 7.485 7.485 7.597 -0.112 25829 1960 1 5 . 1 1 376 376 PHE N N 376 120.335 120.335 119.063 1.272 25829 1961 1 5 . 1 1 376 376 PHE HA H 376 4.503 4.503 4.493 0.010 25829 1962 1 5 . 1 1 376 376 PHE CA C 376 58.170 58.170 58.862 -0.692 25829 1963 1 5 . 1 1 376 376 PHE CB C 376 37.729 37.729 38.923 -1.194 25829 1964 1 5 . 1 1 376 376 PHE H H 376 7.787 7.787 7.777 0.010 25829 1965 1 5 . 1 1 377 377 THR N N 377 110.175 110.175 113.447 -3.272 25829 1966 1 5 . 1 1 377 377 THR HA H 377 3.908 3.908 4.367 -0.459 25829 1967 1 5 . 1 1 377 377 THR CA C 377 64.888 64.888 65.708 -0.820 25829 1968 1 5 . 1 1 377 377 THR CB C 377 68.990 68.990 68.746 0.244 25829 1969 1 5 . 1 1 377 377 THR H H 377 7.777 7.777 8.768 -0.991 25829 1970 1 5 . 1 1 378 378 HIS N N 378 116.164 116.164 119.808 -3.644 25829 1971 1 5 . 1 1 378 378 HIS HA H 378 4.630 4.630 4.766 -0.136 25829 1972 1 5 . 1 1 378 378 HIS CA C 378 55.189 55.189 56.084 -0.895 25829 1973 1 5 . 1 1 378 378 HIS CB C 378 28.700 28.700 30.341 -1.641 25829 1974 1 5 . 1 1 378 378 HIS H H 378 7.473 7.473 8.041 -0.568 25829 1975 1 5 . 1 1 379 379 GLU N N 379 119.465 119.465 120.568 -1.103 25829 1976 1 5 . 1 1 379 379 GLU HA H 379 4.194 4.194 4.524 -0.330 25829 1977 1 5 . 1 1 379 379 GLU CA C 379 54.632 54.632 55.389 -0.757 25829 1978 1 5 . 1 1 379 379 GLU CB C 379 29.247 29.247 31.440 -2.193 25829 1979 1 5 . 1 1 379 379 GLU H H 379 7.229 7.229 7.675 -0.446 25829 1980 1 5 . 1 1 380 380 ALA N N 380 123.121 123.121 125.886 -2.765 25829 1981 1 5 . 1 1 380 380 ALA HA H 380 3.983 3.983 4.254 -0.271 25829 1982 1 5 . 1 1 380 380 ALA CA C 380 54.134 54.134 53.614 0.520 25829 1983 1 5 . 1 1 380 380 ALA CB C 380 17.480 17.480 18.841 -1.361 25829 1984 1 5 . 1 1 380 380 ALA H H 380 8.624 8.624 8.447 0.177 25829 1985 1 5 . 1 1 381 381 CYS N N 381 114.618 114.618 117.062 -2.444 25829 1986 1 5 . 1 1 381 381 CYS HA H 381 4.650 4.650 4.828 -0.178 25829 1987 1 5 . 1 1 381 381 CYS CA C 381 54.700 54.700 55.939 -1.239 25829 1988 1 5 . 1 1 381 381 CYS CB C 381 26.580 26.580 28.043 -1.463 25829 1989 1 5 . 1 1 381 381 CYS H H 381 7.962 7.962 8.037 -0.075 25829 1990 1 5 . 1 1 382 382 PRO HA H 382 3.530 3.530 4.188 -0.658 25829 1991 1 5 . 1 1 382 382 PRO CA C 382 65.150 65.150 64.691 0.459 25829 1992 1 5 . 1 1 382 382 PRO CB C 382 30.400 30.400 31.129 -0.729 25829 1993 1 5 . 1 1 383 383 VAL N N 383 114.288 114.288 118.715 -4.427 25829 1994 1 5 . 1 1 383 383 VAL HA H 383 3.250 3.250 3.448 -0.198 25829 1995 1 5 . 1 1 383 383 VAL CA C 383 65.300 65.300 65.181 0.118 25829 1996 1 5 . 1 1 383 383 VAL CB C 383 30.489 30.489 31.458 -0.969 25829 1997 1 5 . 1 1 383 383 VAL H H 383 7.935 7.935 7.600 0.335 25829 1998 1 5 . 1 1 384 384 ARG N N 384 120.700 120.700 119.837 0.863 25829 1999 1 5 . 1 1 384 384 ARG HA H 384 3.782 3.782 4.106 -0.324 25829 2000 1 5 . 1 1 384 384 ARG CA C 384 58.700 58.700 59.328 -0.628 25829 2001 1 5 . 1 1 384 384 ARG CB C 384 29.545 29.545 29.925 -0.380 25829 2002 1 5 . 1 1 384 384 ARG H H 384 7.253 7.253 7.538 -0.285 25829 2003 1 5 . 1 1 385 385 ALA N N 385 121.849 121.849 122.474 -0.625 25829 2004 1 5 . 1 1 385 385 ALA HA H 385 4.010 4.010 4.028 -0.018 25829 2005 1 5 . 1 1 385 385 ALA CA C 385 54.015 54.015 54.901 -0.886 25829 2006 1 5 . 1 1 385 385 ALA CB C 385 17.600 17.600 18.327 -0.727 25829 2007 1 5 . 1 1 385 385 ALA H H 385 7.371 7.371 7.368 0.003 25829 2008 1 5 . 1 1 386 386 LEU N N 386 120.978 120.978 119.718 1.260 25829 2009 1 5 . 1 1 386 386 LEU HA H 386 2.817 2.817 3.554 -0.737 25829 2010 1 5 . 1 1 386 386 LEU CA C 386 56.800 56.800 57.739 -0.939 25829 2011 1 5 . 1 1 386 386 LEU CB C 386 40.600 40.600 41.612 -1.012 25829 2012 1 5 . 1 1 386 386 LEU H H 386 7.999 7.999 8.025 -0.026 25829 2013 1 5 . 1 1 387 387 LEU N N 387 117.377 117.377 118.382 -1.005 25829 2014 1 5 . 1 1 387 387 LEU HA H 387 4.040 4.040 3.864 0.176 25829 2015 1 5 . 1 1 387 387 LEU CA C 387 57.390 57.390 57.896 -0.506 25829 2016 1 5 . 1 1 387 387 LEU CB C 387 40.200 40.200 41.363 -1.163 25829 2017 1 5 . 1 1 387 387 LEU H H 387 7.973 7.973 7.536 0.437 25829 2018 1 5 . 1 1 388 388 ALA N N 388 120.700 120.700 122.080 -1.380 25829 2019 1 5 . 1 1 388 388 ALA HA H 388 4.110 4.110 4.029 0.081 25829 2020 1 5 . 1 1 388 388 ALA CA C 388 54.162 54.162 55.236 -1.074 25829 2021 1 5 . 1 1 388 388 ALA CB C 388 17.437 17.437 18.212 -0.775 25829 2022 1 5 . 1 1 388 388 ALA H H 388 8.086 8.086 8.022 0.064 25829 2023 1 5 . 1 1 389 389 SER N N 389 111.963 111.963 114.580 -2.617 25829 2024 1 5 . 1 1 389 389 SER HA H 389 4.386 4.386 4.341 0.045 25829 2025 1 5 . 1 1 389 389 SER CA C 389 59.878 59.878 61.005 -1.127 25829 2026 1 5 . 1 1 389 389 SER CB C 389 62.639 62.639 63.467 -0.827 25829 2027 1 5 . 1 1 389 389 SER H H 389 7.446 7.446 8.307 -0.861 25829 2028 1 5 . 1 1 390 390 TRP N N 390 125.600 125.600 125.179 0.421 25829 2029 1 5 . 1 1 390 390 TRP HA H 390 4.319 4.319 4.572 -0.253 25829 2030 1 5 . 1 1 390 390 TRP CA C 390 60.946 60.946 61.018 -0.072 25829 2031 1 5 . 1 1 390 390 TRP CB C 390 27.482 27.482 29.439 -1.957 25829 2032 1 5 . 1 1 390 390 TRP H H 390 9.032 9.032 8.697 0.335 25829 2033 1 5 . 1 1 391 391 ALA N N 391 114.481 114.481 118.787 -4.306 25829 2034 1 5 . 1 1 391 391 ALA HA H 391 3.583 3.583 4.144 -0.561 25829 2035 1 5 . 1 1 391 391 ALA CA C 391 52.859 52.859 53.922 -1.063 25829 2036 1 5 . 1 1 391 391 ALA CB C 391 18.590 18.590 18.161 0.429 25829 2037 1 5 . 1 1 391 391 ALA H H 391 8.312 8.312 8.049 0.263 25829 2038 1 5 . 1 1 392 392 THR N N 392 106.369 106.369 113.104 -6.735 25829 2039 1 5 . 1 1 392 392 THR HA H 392 4.196 4.196 4.198 -0.002 25829 2040 1 5 . 1 1 392 392 THR CA C 392 62.128 62.128 63.992 -1.864 25829 2041 1 5 . 1 1 392 392 THR CB C 392 69.100 69.100 69.193 -0.093 25829 2042 1 5 . 1 1 392 392 THR H H 392 7.238 7.238 7.637 -0.399 25829 2043 1 5 . 1 1 393 393 GLN N N 393 121.193 121.193 119.156 2.037 25829 2044 1 5 . 1 1 393 393 GLN HA H 393 4.295 4.295 4.603 -0.308 25829 2045 1 5 . 1 1 393 393 GLN CA C 393 54.971 54.971 54.418 0.553 25829 2046 1 5 . 1 1 393 393 GLN CB C 393 29.130 29.130 31.421 -2.291 25829 2047 1 5 . 1 1 393 393 GLN H H 393 7.701 7.701 7.520 0.181 25829 2048 1 5 . 1 1 394 394 ASP N N 394 121.430 121.430 121.735 -0.305 25829 2049 1 5 . 1 1 394 394 ASP HA H 394 4.260 4.260 4.403 -0.143 25829 2050 1 5 . 1 1 394 394 ASP CA C 394 55.700 55.700 56.002 -0.302 25829 2051 1 5 . 1 1 394 394 ASP CB C 394 39.700 39.700 40.380 -0.680 25829 2052 1 5 . 1 1 394 394 ASP H H 394 8.623 8.623 8.654 -0.031 25829 2053 1 5 . 1 1 395 395 SER N N 395 108.500 108.500 113.861 -5.361 25829 2054 1 5 . 1 1 395 395 SER HA H 395 4.293 4.293 4.217 0.076 25829 2055 1 5 . 1 1 395 395 SER CA C 395 56.340 56.340 58.932 -2.592 25829 2056 1 5 . 1 1 395 395 SER CB C 395 62.319 62.319 63.065 -0.746 25829 2057 1 5 . 1 1 395 395 SER H H 395 7.437 7.437 7.869 -0.432 25829 2058 1 5 . 1 1 396 396 ALA N N 396 127.500 127.500 124.863 2.637 25829 2059 1 5 . 1 1 396 396 ALA HA H 396 3.974 3.974 2.030 1.944 25829 2060 1 5 . 1 1 396 396 ALA CA C 396 51.617 51.617 50.699 0.918 25829 2061 1 5 . 1 1 396 396 ALA CB C 396 15.670 15.670 17.153 -1.483 25829 2062 1 5 . 1 1 396 396 ALA H H 396 7.077 7.077 7.251 -0.174 25829 2063 1 5 . 1 1 397 397 THR N N 397 115.344 115.344 112.325 3.019 25829 2064 1 5 . 1 1 397 397 THR HA H 397 4.760 4.760 4.349 0.411 25829 2065 1 5 . 1 1 397 397 THR CA C 397 58.900 58.900 61.908 -3.008 25829 2066 1 5 . 1 1 397 397 THR CB C 397 70.600 70.600 70.779 -0.179 25829 2067 1 5 . 1 1 397 397 THR H H 397 7.802 7.802 7.596 0.206 25829 2068 1 5 . 1 1 398 398 LEU N N 398 122.107 122.107 126.129 -4.022 25829 2069 1 5 . 1 1 398 398 LEU HA H 398 4.402 4.402 4.207 0.195 25829 2070 1 5 . 1 1 398 398 LEU CA C 398 57.949 57.949 58.379 -0.430 25829 2071 1 5 . 1 1 398 398 LEU CB C 398 40.435 40.435 41.320 -0.885 25829 2072 1 5 . 1 1 398 398 LEU H H 398 8.686 8.686 8.926 -0.240 25829 2073 1 5 . 1 1 399 399 ASP N N 399 116.774 116.774 119.289 -2.515 25829 2074 1 5 . 1 1 399 399 ASP HA H 399 4.340 4.340 4.342 -0.002 25829 2075 1 5 . 1 1 399 399 ASP CA C 399 57.209 57.209 57.914 -0.705 25829 2076 1 5 . 1 1 399 399 ASP CB C 399 39.800 39.800 40.707 -0.907 25829 2077 1 5 . 1 1 399 399 ASP H H 399 8.592 8.592 8.114 0.478 25829 2078 1 5 . 1 1 400 400 ALA N N 400 123.457 123.457 122.141 1.316 25829 2079 1 5 . 1 1 400 400 ALA HA H 400 4.265 4.265 4.324 -0.059 25829 2080 1 5 . 1 1 400 400 ALA CA C 400 54.429 54.429 54.948 -0.519 25829 2081 1 5 . 1 1 400 400 ALA CB C 400 17.800 17.800 18.743 -0.943 25829 2082 1 5 . 1 1 400 400 ALA H H 400 8.285 8.285 7.811 0.474 25829 2083 1 5 . 1 1 401 401 LEU N N 401 121.963 121.963 120.712 1.251 25829 2084 1 5 . 1 1 401 401 LEU HA H 401 3.774 3.774 3.848 -0.074 25829 2085 1 5 . 1 1 401 401 LEU CA C 401 57.306 57.306 57.930 -0.624 25829 2086 1 5 . 1 1 401 401 LEU CB C 401 40.560 40.560 42.178 -1.618 25829 2087 1 5 . 1 1 401 401 LEU H H 401 7.952 7.952 8.165 -0.213 25829 2088 1 5 . 1 1 402 402 LEU N N 402 117.440 117.440 118.501 -1.061 25829 2089 1 5 . 1 1 402 402 LEU HA H 402 3.837 3.837 3.853 -0.016 25829 2090 1 5 . 1 1 402 402 LEU CA C 402 57.400 57.400 58.060 -0.660 25829 2091 1 5 . 1 1 402 402 LEU CB C 402 39.700 39.700 41.334 -1.634 25829 2092 1 5 . 1 1 402 402 LEU H H 402 8.633 8.633 8.577 0.056 25829 2093 1 5 . 1 1 403 403 ALA N N 403 119.971 119.971 121.005 -1.034 25829 2094 1 5 . 1 1 403 403 ALA HA H 403 3.993 3.993 3.939 0.054 25829 2095 1 5 . 1 1 403 403 ALA CA C 403 54.500 54.500 55.039 -0.539 25829 2096 1 5 . 1 1 403 403 ALA CB C 403 17.200 17.200 18.015 -0.815 25829 2097 1 5 . 1 1 403 403 ALA H H 403 8.132 8.132 7.628 0.504 25829 2098 1 5 . 1 1 404 404 ALA N N 404 121.297 121.297 121.150 0.147 25829 2099 1 5 . 1 1 404 404 ALA HA H 404 3.815 3.815 4.022 -0.207 25829 2100 1 5 . 1 1 404 404 ALA CA C 404 54.800 54.800 54.599 0.201 25829 2101 1 5 . 1 1 404 404 ALA CB C 404 18.100 18.100 18.596 -0.496 25829 2102 1 5 . 1 1 404 404 ALA H H 404 7.610 7.610 7.669 -0.059 25829 2103 1 5 . 1 1 405 405 LEU N N 405 116.480 116.480 118.934 -2.454 25829 2104 1 5 . 1 1 405 405 LEU HA H 405 3.853 3.853 3.797 0.056 25829 2105 1 5 . 1 1 405 405 LEU CA C 405 56.591 56.591 58.051 -1.460 25829 2106 1 5 . 1 1 405 405 LEU CB C 405 41.000 41.000 41.638 -0.638 25829 2107 1 5 . 1 1 405 405 LEU H H 405 8.009 8.009 8.239 -0.230 25829 2108 1 5 . 1 1 406 406 ARG N N 406 118.300 118.300 117.871 0.429 25829 2109 1 5 . 1 1 406 406 ARG HA H 406 3.804 3.804 4.021 -0.217 25829 2110 1 5 . 1 1 406 406 ARG CA C 406 59.650 59.650 59.359 0.291 25829 2111 1 5 . 1 1 406 406 ARG CB C 406 29.300 29.300 29.697 -0.397 25829 2112 1 5 . 1 1 406 406 ARG H H 406 7.983 7.983 8.128 -0.145 25829 2113 1 5 . 1 1 407 407 ARG N N 407 120.307 120.307 119.359 0.948 25829 2114 1 5 . 1 1 407 407 ARG HA H 407 4.085 4.085 4.176 -0.091 25829 2115 1 5 . 1 1 407 407 ARG CA C 407 59.552 59.552 58.078 1.474 25829 2116 1 5 . 1 1 407 407 ARG CB C 407 29.700 29.700 29.350 0.350 25829 2117 1 5 . 1 1 407 407 ARG H H 407 7.916 7.916 7.562 0.354 25829 2118 1 5 . 1 1 408 408 ILE N N 408 110.637 110.637 113.013 -2.376 25829 2119 1 5 . 1 1 408 408 ILE HA H 408 4.530 4.530 4.417 0.113 25829 2120 1 5 . 1 1 408 408 ILE CA C 408 60.500 60.500 60.542 -0.042 25829 2121 1 5 . 1 1 408 408 ILE CB C 408 36.148 36.148 37.298 -1.150 25829 2122 1 5 . 1 1 408 408 ILE H H 408 7.274 7.274 7.339 -0.065 25829 2123 1 5 . 1 1 409 409 GLN N N 409 113.647 113.647 116.398 -2.751 25829 2124 1 5 . 1 1 409 409 GLN HA H 409 3.962 3.962 3.952 0.010 25829 2125 1 5 . 1 1 409 409 GLN CA C 409 56.289 56.289 57.329 -1.040 25829 2126 1 5 . 1 1 409 409 GLN CB C 409 24.550 24.550 26.026 -1.476 25829 2127 1 5 . 1 1 409 409 GLN H H 409 7.714 7.714 7.627 0.087 25829 2128 1 5 . 1 1 410 410 ARG N N 410 117.152 117.152 117.293 -0.141 25829 2129 1 5 . 1 1 410 410 ARG HA H 410 5.039 5.039 4.759 0.280 25829 2130 1 5 . 1 1 410 410 ARG CA C 410 50.920 50.920 53.907 -2.987 25829 2131 1 5 . 1 1 410 410 ARG CB C 410 26.600 26.600 30.141 -3.541 25829 2132 1 5 . 1 1 410 410 ARG H H 410 8.029 8.029 8.046 -0.017 25829 2133 1 5 . 1 1 411 411 ALA N N 411 123.065 123.065 122.958 0.107 25829 2134 1 5 . 1 1 411 411 ALA HA H 411 3.854 3.854 3.911 -0.057 25829 2135 1 5 . 1 1 411 411 ALA CA C 411 54.287 54.287 55.380 -1.093 25829 2136 1 5 . 1 1 411 411 ALA CB C 411 17.691 17.691 18.617 -0.926 25829 2137 1 5 . 1 1 411 411 ALA H H 411 8.121 8.121 8.492 -0.371 25829 2138 1 5 . 1 1 412 412 ASP N N 412 116.575 116.575 117.911 -1.336 25829 2139 1 5 . 1 1 412 412 ASP HA H 412 4.251 4.251 4.286 -0.035 25829 2140 1 5 . 1 1 412 412 ASP CA C 412 55.566 55.566 56.731 -1.165 25829 2141 1 5 . 1 1 412 412 ASP CB C 412 38.000 38.000 39.602 -1.602 25829 2142 1 5 . 1 1 412 412 ASP H H 412 8.916 8.916 8.663 0.253 25829 2143 1 5 . 1 1 413 413 LEU N N 413 120.881 120.881 121.814 -0.933 25829 2144 1 5 . 1 1 413 413 LEU HA H 413 4.134 4.134 4.221 -0.087 25829 2145 1 5 . 1 1 413 413 LEU CA C 413 56.251 56.251 56.750 -0.499 25829 2146 1 5 . 1 1 413 413 LEU CB C 413 41.190 41.190 42.147 -0.957 25829 2147 1 5 . 1 1 413 413 LEU H H 413 7.497 7.497 7.680 -0.183 25829 2148 1 5 . 1 1 414 414 VAL N N 414 117.403 117.403 119.523 -2.120 25829 2149 1 5 . 1 1 414 414 VAL HA H 414 3.475 3.475 3.495 -0.020 25829 2150 1 5 . 1 1 414 414 VAL CA C 414 65.682 65.682 67.364 -1.682 25829 2151 1 5 . 1 1 414 414 VAL CB C 414 31.000 31.000 31.212 -0.212 25829 2152 1 5 . 1 1 414 414 VAL H H 414 7.158 7.158 8.281 -1.123 25829 2153 1 5 . 1 1 415 415 GLU N N 415 118.645 118.645 119.635 -0.990 25829 2154 1 5 . 1 1 415 415 GLU HA H 415 3.957 3.957 3.946 0.011 25829 2155 1 5 . 1 1 415 415 GLU CA C 415 58.698 58.698 59.813 -1.115 25829 2156 1 5 . 1 1 415 415 GLU CB C 415 28.535 28.535 29.435 -0.900 25829 2157 1 5 . 1 1 415 415 GLU H H 415 8.023 8.023 7.929 0.094 25829 2158 1 5 . 1 1 416 416 SER N N 416 113.570 113.570 115.669 -2.099 25829 2159 1 5 . 1 1 416 416 SER HA H 416 4.230 4.230 4.214 0.016 25829 2160 1 5 . 1 1 416 416 SER CA C 416 60.774 60.774 61.213 -0.439 25829 2161 1 5 . 1 1 416 416 SER CB C 416 62.641 62.641 63.174 -0.533 25829 2162 1 5 . 1 1 416 416 SER H H 416 7.668 7.668 7.590 0.078 25829 2163 1 5 . 1 1 417 417 LEU N N 417 120.278 120.278 121.413 -1.135 25829 2164 1 5 . 1 1 417 417 LEU HA H 417 4.220 4.220 4.245 -0.025 25829 2165 1 5 . 1 1 417 417 LEU CA C 417 55.974 55.974 57.176 -1.202 25829 2166 1 5 . 1 1 417 417 LEU CB C 417 42.477 42.477 42.160 0.317 25829 2167 1 5 . 1 1 417 417 LEU H H 417 7.727 7.727 7.711 0.016 25829 2168 1 5 . 1 1 418 418 CYS N N 418 116.200 116.200 119.075 -2.875 25829 2169 1 5 . 1 1 418 418 CYS HA H 418 4.490 4.490 4.003 0.487 25829 2170 1 5 . 1 1 418 418 CYS CA C 418 59.010 59.010 62.747 -3.737 25829 2171 1 5 . 1 1 418 418 CYS CB C 418 27.300 27.300 26.779 0.521 25829 2172 1 5 . 1 1 418 418 CYS H H 418 7.855 7.855 8.978 -1.123 25829 2173 1 5 . 1 1 419 419 SER N N 419 116.680 116.680 115.354 1.326 25829 2174 1 5 . 1 1 419 419 SER HA H 419 4.402 4.402 4.101 0.301 25829 2175 1 5 . 1 1 419 419 SER CA C 419 58.284 58.284 61.588 -3.304 25829 2176 1 5 . 1 1 419 419 SER CB C 419 63.179 63.179 63.096 0.083 25829 2177 1 5 . 1 1 419 419 SER H H 419 7.813 7.813 7.835 -0.022 25829 2178 1 5 . 1 1 420 420 GLU N N 420 122.629 122.629 118.555 4.074 25829 2179 1 5 . 1 1 420 420 GLU HA H 420 4.338 4.338 4.307 0.031 25829 2180 1 5 . 1 1 420 420 GLU CA C 420 56.021 56.021 57.726 -1.705 25829 2181 1 5 . 1 1 420 420 GLU CB C 420 29.569 29.569 30.021 -0.452 25829 2182 1 5 . 1 1 420 420 GLU H H 420 8.456 8.456 7.558 0.898 25829 2183 1 5 . 1 1 421 421 SER N N 421 116.600 116.600 113.913 2.687 25829 2184 1 5 . 1 1 421 421 SER HA H 421 4.470 4.470 4.316 0.154 25829 2185 1 5 . 1 1 421 421 SER CA C 421 57.800 57.800 60.398 -2.599 25829 2186 1 5 . 1 1 421 421 SER CB C 421 63.180 63.180 63.463 -0.283 25829 2187 1 5 . 1 1 421 421 SER H H 421 8.321 8.321 7.810 0.511 25829 2188 1 5 . 1 1 422 422 THR N N 422 115.756 115.756 118.031 -2.275 25829 2189 1 5 . 1 1 422 422 THR HA H 422 4.331 4.331 4.482 -0.151 25829 2190 1 5 . 1 1 422 422 THR CA C 422 61.100 61.100 61.960 -0.860 25829 2191 1 5 . 1 1 422 422 THR CB C 422 69.000 69.000 69.253 -0.253 25829 2192 1 5 . 1 1 422 422 THR H H 422 8.144 8.144 7.902 0.242 25829 2193 1 5 . 1 1 423 423 ALA N N 423 126.280 126.280 127.012 -0.732 25829 2194 1 5 . 1 1 423 423 ALA HA H 423 4.369 4.369 4.666 -0.297 25829 2195 1 5 . 1 1 423 423 ALA CA C 423 52.060 52.060 51.521 0.539 25829 2196 1 5 . 1 1 423 423 ALA CB C 423 18.600 18.600 20.535 -1.935 25829 2197 1 5 . 1 1 423 423 ALA H H 423 8.233 8.233 8.006 0.227 25829 2198 1 5 . 1 1 424 424 THR N N 424 113.047 113.047 111.603 1.444 25829 2199 1 5 . 1 1 424 424 THR HA H 424 4.316 4.316 4.484 -0.168 25829 2200 1 5 . 1 1 424 424 THR CA C 424 60.990 60.990 62.234 -1.244 25829 2201 1 5 . 1 1 424 424 THR CB C 424 69.200 69.200 68.075 1.125 25829 2202 1 5 . 1 1 424 424 THR H H 424 8.061 8.061 8.272 -0.211 25829 2203 1 5 . 1 1 425 425 SER N N 425 119.479 119.479 120.647 -1.168 25829 2204 1 5 . 1 1 425 425 SER HA H 425 4.755 4.755 4.752 0.003 25829 2205 1 5 . 1 1 425 425 SER CA C 425 55.720 55.720 56.852 -1.132 25829 2206 1 5 . 1 1 425 425 SER CB C 425 62.800 62.800 63.472 -0.672 25829 2207 1 5 . 1 1 425 425 SER H H 425 8.215 8.215 8.370 -0.155 25829 2208 1 5 . 1 1 426 426 PRO HA H 426 4.461 4.461 4.515 -0.054 25829 2209 1 5 . 1 1 426 426 PRO CA C 426 62.851 62.851 63.072 -0.221 25829 2210 1 5 . 1 1 426 426 PRO CB C 426 31.308 31.308 32.325 -1.017 25829 2211 1 6 . 1 1 335 335 LEU N N 335 120.860 120.860 121.535 -0.675 25829 2212 1 6 . 1 1 335 335 LEU HA H 335 4.203 4.203 4.440 -0.237 25829 2213 1 6 . 1 1 335 335 LEU CA C 335 54.890 54.890 55.068 -0.178 25829 2214 1 6 . 1 1 335 335 LEU CB C 335 40.860 40.860 42.654 -1.794 25829 2215 1 6 . 1 1 335 335 LEU H H 335 8.289 8.289 7.925 0.364 25829 2216 1 6 . 1 1 336 336 TYR N N 336 127.150 127.150 124.253 2.897 25829 2217 1 6 . 1 1 336 336 TYR HA H 336 4.042 4.042 4.192 -0.150 25829 2218 1 6 . 1 1 336 336 TYR CA C 336 61.360 61.360 60.630 0.730 25829 2219 1 6 . 1 1 336 336 TYR CB C 336 38.768 38.768 38.692 0.076 25829 2220 1 6 . 1 1 336 336 TYR H H 336 9.027 9.027 9.095 -0.068 25829 2221 1 6 . 1 1 337 337 SER N N 337 111.560 111.560 113.118 -1.558 25829 2222 1 6 . 1 1 337 337 SER HA H 337 3.926 3.926 4.064 -0.138 25829 2223 1 6 . 1 1 337 337 SER CA C 337 59.251 59.251 60.195 -0.944 25829 2224 1 6 . 1 1 337 337 SER CB C 337 62.235 62.235 62.671 -0.436 25829 2225 1 6 . 1 1 337 337 SER H H 337 9.318 9.318 8.533 0.785 25829 2226 1 6 . 1 1 338 338 SER N N 338 115.800 115.800 115.226 0.574 25829 2227 1 6 . 1 1 338 338 SER HA H 338 4.465 4.465 4.321 0.144 25829 2228 1 6 . 1 1 338 338 SER CA C 338 58.120 58.120 59.211 -1.091 25829 2229 1 6 . 1 1 338 338 SER CB C 338 63.663 63.663 63.509 0.154 25829 2230 1 6 . 1 1 338 338 SER H H 338 7.459 7.459 7.686 -0.227 25829 2231 1 6 . 1 1 339 339 LEU N N 339 123.972 123.972 123.070 0.902 25829 2232 1 6 . 1 1 339 339 LEU HA H 339 4.366 4.366 4.315 0.051 25829 2233 1 6 . 1 1 339 339 LEU CA C 339 52.936 52.936 53.545 -0.609 25829 2234 1 6 . 1 1 339 339 LEU CB C 339 40.889 40.889 41.376 -0.487 25829 2235 1 6 . 1 1 339 339 LEU H H 339 7.520 7.520 7.193 0.327 25829 2236 1 6 . 1 1 340 340 PRO HA H 340 4.723 4.723 4.671 0.052 25829 2237 1 6 . 1 1 340 340 PRO CA C 340 60.800 60.800 61.317 -0.517 25829 2238 1 6 . 1 1 340 340 PRO CB C 340 27.300 27.300 31.166 -3.866 25829 2239 1 6 . 1 1 341 341 PRO HA H 341 3.971 3.971 4.174 -0.203 25829 2240 1 6 . 1 1 341 341 PRO CA C 341 65.204 65.204 65.591 -0.387 25829 2241 1 6 . 1 1 341 341 PRO CB C 341 31.100 31.100 31.501 -0.401 25829 2242 1 6 . 1 1 342 342 ALA N N 342 117.460 117.460 122.090 -4.630 25829 2243 1 6 . 1 1 342 342 ALA HA H 342 4.125 4.125 3.997 0.128 25829 2244 1 6 . 1 1 342 342 ALA CA C 342 54.529 54.529 55.173 -0.644 25829 2245 1 6 . 1 1 342 342 ALA CB C 342 17.700 17.700 18.417 -0.717 25829 2246 1 6 . 1 1 342 342 ALA H H 342 8.625 8.625 8.181 0.444 25829 2247 1 6 . 1 1 343 343 LYS N N 343 117.364 117.364 118.927 -1.563 25829 2248 1 6 . 1 1 343 343 LYS HA H 343 4.295 4.295 3.988 0.307 25829 2249 1 6 . 1 1 343 343 LYS CA C 343 56.167 56.167 59.186 -3.019 25829 2250 1 6 . 1 1 343 343 LYS CB C 343 30.889 30.889 31.781 -0.892 25829 2251 1 6 . 1 1 343 343 LYS H H 343 7.254 7.254 8.129 -0.875 25829 2252 1 6 . 1 1 344 344 ARG N N 344 118.680 118.680 118.171 0.509 25829 2253 1 6 . 1 1 344 344 ARG HA H 344 3.850 3.850 4.146 -0.296 25829 2254 1 6 . 1 1 344 344 ARG CA C 344 59.660 59.660 59.343 0.317 25829 2255 1 6 . 1 1 344 344 ARG CB C 344 29.300 29.300 29.983 -0.683 25829 2256 1 6 . 1 1 344 344 ARG H H 344 7.410 7.410 7.673 -0.263 25829 2257 1 6 . 1 1 345 345 GLU N N 345 118.035 118.035 119.741 -1.706 25829 2258 1 6 . 1 1 345 345 GLU HA H 345 3.926 3.926 4.059 -0.133 25829 2259 1 6 . 1 1 345 345 GLU CA C 345 58.720 58.720 59.600 -0.880 25829 2260 1 6 . 1 1 345 345 GLU CB C 345 28.600 28.600 29.436 -0.835 25829 2261 1 6 . 1 1 345 345 GLU H H 345 8.267 8.267 7.867 0.400 25829 2262 1 6 . 1 1 346 346 GLU N N 346 119.810 119.810 120.177 -0.367 25829 2263 1 6 . 1 1 346 346 GLU HA H 346 3.950 3.950 4.136 -0.186 25829 2264 1 6 . 1 1 346 346 GLU CA C 346 59.000 59.000 59.395 -0.395 25829 2265 1 6 . 1 1 346 346 GLU CB C 346 29.113 29.113 29.287 -0.174 25829 2266 1 6 . 1 1 346 346 GLU H H 346 7.444 7.444 8.550 -1.106 25829 2267 1 6 . 1 1 347 347 VAL N N 347 119.540 119.540 119.497 0.043 25829 2268 1 6 . 1 1 347 347 VAL HA H 347 3.470 3.470 3.717 -0.247 25829 2269 1 6 . 1 1 347 347 VAL CA C 347 66.267 66.267 66.811 -0.544 25829 2270 1 6 . 1 1 347 347 VAL CB C 347 30.800 30.800 31.181 -0.381 25829 2271 1 6 . 1 1 347 347 VAL H H 347 7.938 7.938 8.698 -0.760 25829 2272 1 6 . 1 1 348 348 GLU N N 348 118.250 118.250 119.612 -1.362 25829 2273 1 6 . 1 1 348 348 GLU HA H 348 3.513 3.513 4.136 -0.623 25829 2274 1 6 . 1 1 348 348 GLU CA C 348 59.609 59.609 59.776 -0.167 25829 2275 1 6 . 1 1 348 348 GLU CB C 348 28.620 28.620 29.612 -0.992 25829 2276 1 6 . 1 1 348 348 GLU H H 348 8.094 8.094 7.642 0.452 25829 2277 1 6 . 1 1 349 349 LYS N N 349 118.860 118.860 119.685 -0.825 25829 2278 1 6 . 1 1 349 349 LYS HA H 349 3.948 3.948 4.092 -0.144 25829 2279 1 6 . 1 1 349 349 LYS CA C 349 59.000 59.000 59.334 -0.334 25829 2280 1 6 . 1 1 349 349 LYS CB C 349 31.809 31.809 32.688 -0.879 25829 2281 1 6 . 1 1 349 349 LYS H H 349 8.319 8.319 8.271 0.048 25829 2282 1 6 . 1 1 350 350 LEU N N 350 120.820 120.820 119.237 1.583 25829 2283 1 6 . 1 1 350 350 LEU HA H 350 4.050 4.050 4.117 -0.067 25829 2284 1 6 . 1 1 350 350 LEU CA C 350 56.954 56.954 57.998 -1.044 25829 2285 1 6 . 1 1 350 350 LEU CB C 350 41.300 41.300 41.898 -0.598 25829 2286 1 6 . 1 1 350 350 LEU H H 350 8.020 8.020 8.314 -0.294 25829 2287 1 6 . 1 1 351 351 LEU N N 351 117.800 117.800 119.060 -1.260 25829 2288 1 6 . 1 1 351 351 LEU HA H 351 4.020 4.020 3.949 0.071 25829 2289 1 6 . 1 1 351 351 LEU CA C 351 56.700 56.700 57.270 -0.570 25829 2290 1 6 . 1 1 351 351 LEU CB C 351 41.470 41.470 41.583 -0.112 25829 2291 1 6 . 1 1 351 351 LEU H H 351 8.205 8.205 7.614 0.591 25829 2292 1 6 . 1 1 352 352 ASN N N 352 118.847 118.847 115.429 3.418 25829 2293 1 6 . 1 1 352 352 ASN HA H 352 4.487 4.487 4.536 -0.049 25829 2294 1 6 . 1 1 352 352 ASN CA C 352 54.980 54.980 55.187 -0.207 25829 2295 1 6 . 1 1 352 352 ASN CB C 352 38.660 38.660 38.712 -0.052 25829 2296 1 6 . 1 1 352 352 ASN H H 352 8.613 8.613 7.876 0.737 25829 2297 1 6 . 1 1 353 353 GLY N N 353 104.836 104.836 106.157 -1.321 25829 2298 1 6 . 1 1 353 353 GLY CA C 353 45.100 45.100 45.523 -0.423 25829 2299 1 6 . 1 1 353 353 GLY H H 353 7.803 7.803 7.833 -0.030 25829 2300 1 6 . 1 1 354 354 SER N N 354 115.370 115.370 119.165 -3.795 25829 2301 1 6 . 1 1 354 354 SER HA H 354 4.530 4.530 4.241 0.289 25829 2302 1 6 . 1 1 354 354 SER CA C 354 58.317 58.317 58.532 -0.215 25829 2303 1 6 . 1 1 354 354 SER CB C 354 63.678 63.678 62.474 1.204 25829 2304 1 6 . 1 1 354 354 SER H H 354 7.567 7.567 7.820 -0.253 25829 2305 1 6 . 1 1 355 355 ALA N N 355 124.206 124.206 121.518 2.688 25829 2306 1 6 . 1 1 355 355 ALA HA H 355 4.455 4.455 4.153 0.302 25829 2307 1 6 . 1 1 355 355 ALA CA C 355 51.960 51.960 51.977 -0.017 25829 2308 1 6 . 1 1 355 355 ALA CB C 355 18.545 18.545 18.499 0.046 25829 2309 1 6 . 1 1 355 355 ALA H H 355 8.334 8.334 7.626 0.708 25829 2310 1 6 . 1 1 356 356 GLY N N 356 108.886 108.886 107.659 1.227 25829 2311 1 6 . 1 1 356 356 GLY CA C 356 46.340 46.340 46.151 0.189 25829 2312 1 6 . 1 1 356 356 GLY H H 356 8.613 8.613 8.931 -0.318 25829 2313 1 6 . 1 1 357 357 ASP N N 357 119.161 119.161 116.685 2.476 25829 2314 1 6 . 1 1 357 357 ASP HA H 357 4.490 4.490 4.274 0.216 25829 2315 1 6 . 1 1 357 357 ASP CA C 357 53.700 53.700 53.676 0.024 25829 2316 1 6 . 1 1 357 357 ASP CB C 357 39.418 39.418 40.787 -1.369 25829 2317 1 6 . 1 1 357 357 ASP H H 357 8.534 8.534 8.025 0.509 25829 2318 1 6 . 1 1 358 358 THR N N 358 116.000 116.000 117.236 -1.236 25829 2319 1 6 . 1 1 358 358 THR HA H 358 3.855 3.855 3.856 -0.001 25829 2320 1 6 . 1 1 358 358 THR CA C 358 66.123 66.123 67.709 -1.586 25829 2321 1 6 . 1 1 358 358 THR CB C 358 67.860 67.860 68.892 -1.032 25829 2322 1 6 . 1 1 358 358 THR H H 358 7.864 7.864 7.647 0.217 25829 2323 1 6 . 1 1 359 359 TRP N N 359 118.670 118.670 119.643 -0.973 25829 2324 1 6 . 1 1 359 359 TRP HA H 359 3.930 3.930 4.237 -0.307 25829 2325 1 6 . 1 1 359 359 TRP CA C 359 59.500 59.500 59.244 0.256 25829 2326 1 6 . 1 1 359 359 TRP CB C 359 26.859 26.859 27.608 -0.749 25829 2327 1 6 . 1 1 359 359 TRP H H 359 8.287 8.287 8.274 0.013 25829 2328 1 6 . 1 1 360 360 ARG N N 360 122.263 122.263 119.719 2.544 25829 2329 1 6 . 1 1 360 360 ARG HA H 360 2.995 2.995 3.386 -0.391 25829 2330 1 6 . 1 1 360 360 ARG CA C 360 58.797 58.797 59.331 -0.534 25829 2331 1 6 . 1 1 360 360 ARG CB C 360 28.650 28.650 29.367 -0.717 25829 2332 1 6 . 1 1 360 360 ARG H H 360 6.341 6.341 6.746 -0.405 25829 2333 1 6 . 1 1 361 361 HIS N N 361 120.604 120.604 118.254 2.350 25829 2334 1 6 . 1 1 361 361 HIS HA H 361 4.379 4.379 4.281 0.098 25829 2335 1 6 . 1 1 361 361 HIS CA C 361 57.124 57.124 58.911 -1.787 25829 2336 1 6 . 1 1 361 361 HIS CB C 361 29.551 29.551 30.078 -0.527 25829 2337 1 6 . 1 1 361 361 HIS H H 361 7.370 7.370 7.587 -0.217 25829 2338 1 6 . 1 1 362 362 LEU N N 362 120.734 120.734 120.375 0.359 25829 2339 1 6 . 1 1 362 362 LEU HA H 362 3.750 3.750 3.845 -0.095 25829 2340 1 6 . 1 1 362 362 LEU CA C 362 57.153 57.153 57.881 -0.728 25829 2341 1 6 . 1 1 362 362 LEU CB C 362 40.886 40.886 41.655 -0.769 25829 2342 1 6 . 1 1 362 362 LEU H H 362 8.365 8.365 7.969 0.396 25829 2343 1 6 . 1 1 363 363 ALA N N 363 118.919 118.919 120.783 -1.864 25829 2344 1 6 . 1 1 363 363 ALA HA H 363 3.824 3.824 3.869 -0.045 25829 2345 1 6 . 1 1 363 363 ALA CA C 363 54.910 54.910 55.477 -0.567 25829 2346 1 6 . 1 1 363 363 ALA CB C 363 18.000 18.000 17.952 0.048 25829 2347 1 6 . 1 1 363 363 ALA H H 363 8.384 8.384 8.490 -0.106 25829 2348 1 6 . 1 1 364 364 GLY N N 364 103.970 103.970 106.110 -2.140 25829 2349 1 6 . 1 1 364 364 GLY CA C 364 46.452 46.452 47.095 -0.643 25829 2350 1 6 . 1 1 364 364 GLY H H 364 7.679 7.679 7.746 -0.067 25829 2351 1 6 . 1 1 365 365 GLU N N 365 122.387 122.387 119.923 2.464 25829 2352 1 6 . 1 1 365 365 GLU HA H 365 4.250 4.250 4.267 -0.017 25829 2353 1 6 . 1 1 365 365 GLU CA C 365 57.100 57.100 57.486 -0.386 25829 2354 1 6 . 1 1 365 365 GLU CB C 365 29.043 29.043 29.334 -0.291 25829 2355 1 6 . 1 1 365 365 GLU H H 365 7.724 7.724 7.697 0.027 25829 2356 1 6 . 1 1 366 366 LEU N N 366 117.748 117.748 117.544 0.204 25829 2357 1 6 . 1 1 366 366 LEU HA H 366 4.329 4.329 4.332 -0.003 25829 2358 1 6 . 1 1 366 366 LEU CA C 366 53.898 53.898 54.880 -0.982 25829 2359 1 6 . 1 1 366 366 LEU CB C 366 40.569 40.569 41.997 -1.428 25829 2360 1 6 . 1 1 366 366 LEU H H 366 7.813 7.813 8.159 -0.346 25829 2361 1 6 . 1 1 367 367 GLY N N 367 105.744 105.744 105.592 0.152 25829 2362 1 6 . 1 1 367 367 GLY CA C 367 44.900 44.900 45.239 -0.339 25829 2363 1 6 . 1 1 367 367 GLY H H 367 7.636 7.636 7.369 0.267 25829 2364 1 6 . 1 1 368 368 TYR N N 368 119.550 119.550 120.777 -1.227 25829 2365 1 6 . 1 1 368 368 TYR HA H 368 4.450 4.450 4.357 0.093 25829 2366 1 6 . 1 1 368 368 TYR CA C 368 58.960 58.960 59.653 -0.693 25829 2367 1 6 . 1 1 368 368 TYR CB C 368 37.990 37.990 39.090 -1.100 25829 2368 1 6 . 1 1 368 368 TYR H H 368 7.958 7.958 8.160 -0.202 25829 2369 1 6 . 1 1 369 369 GLN N N 369 123.108 123.108 124.249 -1.141 25829 2370 1 6 . 1 1 369 369 GLN HA H 369 4.600 4.600 4.390 0.210 25829 2371 1 6 . 1 1 369 369 GLN CA C 369 53.400 53.400 54.544 -1.144 25829 2372 1 6 . 1 1 369 369 GLN CB C 369 27.110 27.110 28.041 -0.931 25829 2373 1 6 . 1 1 369 369 GLN H H 369 9.767 9.767 8.908 0.859 25829 2374 1 6 . 1 1 370 370 PRO HA H 370 4.057 4.057 4.282 -0.225 25829 2375 1 6 . 1 1 370 370 PRO CA C 370 66.262 66.262 65.572 0.690 25829 2376 1 6 . 1 1 370 370 PRO CB C 370 31.384 31.384 31.996 -0.612 25829 2377 1 6 . 1 1 371 371 GLU N N 371 116.204 116.204 117.726 -1.522 25829 2378 1 6 . 1 1 371 371 GLU HA H 371 4.111 4.111 4.041 0.070 25829 2379 1 6 . 1 1 371 371 GLU CA C 371 58.661 58.661 59.159 -0.498 25829 2380 1 6 . 1 1 371 371 GLU CB C 371 27.741 27.741 28.213 -0.472 25829 2381 1 6 . 1 1 371 371 GLU H H 371 9.493 9.493 9.039 0.454 25829 2382 1 6 . 1 1 372 372 HIS N N 372 120.310 120.310 119.595 0.715 25829 2383 1 6 . 1 1 372 372 HIS HA H 372 4.425 4.425 4.144 0.281 25829 2384 1 6 . 1 1 372 372 HIS CA C 372 57.070 57.070 58.263 -1.193 25829 2385 1 6 . 1 1 372 372 HIS CB C 372 31.818 31.818 30.040 1.778 25829 2386 1 6 . 1 1 372 372 HIS H H 372 7.424 7.424 7.555 -0.131 25829 2387 1 6 . 1 1 373 373 ILE N N 373 120.390 120.390 120.620 -0.230 25829 2388 1 6 . 1 1 373 373 ILE HA H 373 3.708 3.708 4.035 -0.327 25829 2389 1 6 . 1 1 373 373 ILE CA C 373 65.480 65.480 65.889 -0.409 25829 2390 1 6 . 1 1 373 373 ILE CB C 373 37.329 37.329 37.772 -0.443 25829 2391 1 6 . 1 1 373 373 ILE H H 373 7.950 7.950 7.725 0.225 25829 2392 1 6 . 1 1 374 374 ASP N N 374 117.990 117.990 120.036 -2.046 25829 2393 1 6 . 1 1 374 374 ASP HA H 374 4.508 4.508 4.357 0.151 25829 2394 1 6 . 1 1 374 374 ASP CA C 374 56.504 56.504 57.450 -0.946 25829 2395 1 6 . 1 1 374 374 ASP CB C 374 40.175 40.175 40.571 -0.396 25829 2396 1 6 . 1 1 374 374 ASP H H 374 8.142 8.142 8.001 0.141 25829 2397 1 6 . 1 1 375 375 SER N N 375 115.373 115.373 115.337 0.036 25829 2398 1 6 . 1 1 375 375 SER HA H 375 4.207 4.207 4.163 0.044 25829 2399 1 6 . 1 1 375 375 SER CA C 375 60.962 60.962 61.189 -0.227 25829 2400 1 6 . 1 1 375 375 SER CB C 375 61.999 61.999 63.254 -1.255 25829 2401 1 6 . 1 1 375 375 SER H H 375 7.485 7.485 7.649 -0.164 25829 2402 1 6 . 1 1 376 376 PHE N N 376 120.335 120.335 120.721 -0.386 25829 2403 1 6 . 1 1 376 376 PHE HA H 376 4.503 4.503 4.340 0.163 25829 2404 1 6 . 1 1 376 376 PHE CA C 376 58.170 58.170 59.161 -0.991 25829 2405 1 6 . 1 1 376 376 PHE CB C 376 37.729 37.729 38.522 -0.793 25829 2406 1 6 . 1 1 376 376 PHE H H 376 7.787 7.787 8.293 -0.506 25829 2407 1 6 . 1 1 377 377 THR N N 377 110.175 110.175 111.949 -1.774 25829 2408 1 6 . 1 1 377 377 THR HA H 377 3.908 3.908 4.423 -0.515 25829 2409 1 6 . 1 1 377 377 THR CA C 377 64.888 64.888 65.389 -0.501 25829 2410 1 6 . 1 1 377 377 THR CB C 377 68.990 68.990 68.549 0.441 25829 2411 1 6 . 1 1 377 377 THR H H 377 7.777 7.777 8.854 -1.077 25829 2412 1 6 . 1 1 378 378 HIS N N 378 116.164 116.164 117.337 -1.173 25829 2413 1 6 . 1 1 378 378 HIS HA H 378 4.630 4.630 5.021 -0.391 25829 2414 1 6 . 1 1 378 378 HIS CA C 378 55.189 55.189 54.375 0.814 25829 2415 1 6 . 1 1 378 378 HIS CB C 378 28.700 28.700 30.419 -1.719 25829 2416 1 6 . 1 1 378 378 HIS H H 378 7.473 7.473 7.640 -0.167 25829 2417 1 6 . 1 1 379 379 GLU N N 379 119.465 119.465 122.427 -2.962 25829 2418 1 6 . 1 1 379 379 GLU HA H 379 4.194 4.194 4.487 -0.293 25829 2419 1 6 . 1 1 379 379 GLU CA C 379 54.632 54.632 55.515 -0.883 25829 2420 1 6 . 1 1 379 379 GLU CB C 379 29.247 29.247 30.919 -1.671 25829 2421 1 6 . 1 1 379 379 GLU H H 379 7.229 7.229 7.563 -0.334 25829 2422 1 6 . 1 1 380 380 ALA N N 380 123.121 123.121 126.616 -3.495 25829 2423 1 6 . 1 1 380 380 ALA HA H 380 3.983 3.983 4.361 -0.378 25829 2424 1 6 . 1 1 380 380 ALA CA C 380 54.134 54.134 53.161 0.973 25829 2425 1 6 . 1 1 380 380 ALA CB C 380 17.480 17.480 19.128 -1.648 25829 2426 1 6 . 1 1 380 380 ALA H H 380 8.624 8.624 8.352 0.272 25829 2427 1 6 . 1 1 381 381 CYS N N 381 114.618 114.618 117.843 -3.225 25829 2428 1 6 . 1 1 381 381 CYS HA H 381 4.650 4.650 4.834 -0.184 25829 2429 1 6 . 1 1 381 381 CYS CA C 381 54.700 54.700 56.115 -1.415 25829 2430 1 6 . 1 1 381 381 CYS CB C 381 26.580 26.580 28.665 -2.085 25829 2431 1 6 . 1 1 381 381 CYS H H 381 7.962 7.962 7.879 0.083 25829 2432 1 6 . 1 1 382 382 PRO HA H 382 3.530 3.530 3.981 -0.451 25829 2433 1 6 . 1 1 382 382 PRO CA C 382 65.150 65.150 65.350 -0.200 25829 2434 1 6 . 1 1 382 382 PRO CB C 382 30.400 30.400 31.151 -0.751 25829 2435 1 6 . 1 1 383 383 VAL N N 383 114.288 114.288 119.275 -4.987 25829 2436 1 6 . 1 1 383 383 VAL HA H 383 3.250 3.250 3.337 -0.087 25829 2437 1 6 . 1 1 383 383 VAL CA C 383 65.300 65.300 66.362 -1.062 25829 2438 1 6 . 1 1 383 383 VAL CB C 383 30.489 30.489 31.129 -0.640 25829 2439 1 6 . 1 1 383 383 VAL H H 383 7.935 7.935 7.713 0.222 25829 2440 1 6 . 1 1 384 384 ARG N N 384 120.700 120.700 120.177 0.523 25829 2441 1 6 . 1 1 384 384 ARG HA H 384 3.782 3.782 4.338 -0.556 25829 2442 1 6 . 1 1 384 384 ARG CA C 384 58.700 58.700 59.438 -0.738 25829 2443 1 6 . 1 1 384 384 ARG CB C 384 29.545 29.545 30.005 -0.460 25829 2444 1 6 . 1 1 384 384 ARG H H 384 7.253 7.253 8.273 -1.020 25829 2445 1 6 . 1 1 385 385 ALA N N 385 121.849 121.849 122.557 -0.708 25829 2446 1 6 . 1 1 385 385 ALA HA H 385 4.010 4.010 4.044 -0.034 25829 2447 1 6 . 1 1 385 385 ALA CA C 385 54.015 54.015 55.102 -1.087 25829 2448 1 6 . 1 1 385 385 ALA CB C 385 17.600 17.600 18.424 -0.824 25829 2449 1 6 . 1 1 385 385 ALA H H 385 7.371 7.371 7.674 -0.303 25829 2450 1 6 . 1 1 386 386 LEU N N 386 120.978 120.978 120.212 0.766 25829 2451 1 6 . 1 1 386 386 LEU HA H 386 2.817 2.817 3.681 -0.864 25829 2452 1 6 . 1 1 386 386 LEU CA C 386 56.800 56.800 57.689 -0.889 25829 2453 1 6 . 1 1 386 386 LEU CB C 386 40.600 40.600 41.632 -1.032 25829 2454 1 6 . 1 1 386 386 LEU H H 386 7.999 7.999 7.986 0.013 25829 2455 1 6 . 1 1 387 387 LEU N N 387 117.377 117.377 118.844 -1.467 25829 2456 1 6 . 1 1 387 387 LEU HA H 387 4.040 4.040 3.919 0.121 25829 2457 1 6 . 1 1 387 387 LEU CA C 387 57.390 57.390 58.364 -0.974 25829 2458 1 6 . 1 1 387 387 LEU CB C 387 40.200 40.200 41.670 -1.470 25829 2459 1 6 . 1 1 387 387 LEU H H 387 7.973 7.973 7.963 0.010 25829 2460 1 6 . 1 1 388 388 ALA N N 388 120.700 120.700 121.774 -1.074 25829 2461 1 6 . 1 1 388 388 ALA HA H 388 4.110 4.110 4.028 0.082 25829 2462 1 6 . 1 1 388 388 ALA CA C 388 54.162 54.162 55.342 -1.180 25829 2463 1 6 . 1 1 388 388 ALA CB C 388 17.437 17.437 18.150 -0.713 25829 2464 1 6 . 1 1 388 388 ALA H H 388 8.086 8.086 8.217 -0.131 25829 2465 1 6 . 1 1 389 389 SER N N 389 111.963 111.963 114.758 -2.795 25829 2466 1 6 . 1 1 389 389 SER HA H 389 4.386 4.386 4.292 0.094 25829 2467 1 6 . 1 1 389 389 SER CA C 389 59.878 59.878 61.036 -1.158 25829 2468 1 6 . 1 1 389 389 SER CB C 389 62.639 62.639 63.343 -0.704 25829 2469 1 6 . 1 1 389 389 SER H H 389 7.446 7.446 8.212 -0.766 25829 2470 1 6 . 1 1 390 390 TRP N N 390 125.600 125.600 124.368 1.232 25829 2471 1 6 . 1 1 390 390 TRP HA H 390 4.319 4.319 4.516 -0.197 25829 2472 1 6 . 1 1 390 390 TRP CA C 390 60.946 60.946 61.300 -0.353 25829 2473 1 6 . 1 1 390 390 TRP CB C 390 27.482 27.482 29.522 -2.040 25829 2474 1 6 . 1 1 390 390 TRP H H 390 9.032 9.032 8.547 0.485 25829 2475 1 6 . 1 1 391 391 ALA N N 391 114.481 114.481 119.233 -4.752 25829 2476 1 6 . 1 1 391 391 ALA HA H 391 3.583 3.583 4.112 -0.529 25829 2477 1 6 . 1 1 391 391 ALA CA C 391 52.859 52.859 54.084 -1.226 25829 2478 1 6 . 1 1 391 391 ALA CB C 391 18.590 18.590 18.193 0.397 25829 2479 1 6 . 1 1 391 391 ALA H H 391 8.312 8.312 8.025 0.287 25829 2480 1 6 . 1 1 392 392 THR N N 392 106.369 106.369 112.303 -5.934 25829 2481 1 6 . 1 1 392 392 THR HA H 392 4.196 4.196 4.202 -0.006 25829 2482 1 6 . 1 1 392 392 THR CA C 392 62.128 62.128 63.892 -1.764 25829 2483 1 6 . 1 1 392 392 THR CB C 392 69.100 69.100 69.062 0.037 25829 2484 1 6 . 1 1 392 392 THR H H 392 7.238 7.238 7.647 -0.409 25829 2485 1 6 . 1 1 393 393 GLN N N 393 121.193 121.193 119.395 1.798 25829 2486 1 6 . 1 1 393 393 GLN HA H 393 4.295 4.295 4.603 -0.308 25829 2487 1 6 . 1 1 393 393 GLN CA C 393 54.971 54.971 54.394 0.577 25829 2488 1 6 . 1 1 393 393 GLN CB C 393 29.130 29.130 31.170 -2.040 25829 2489 1 6 . 1 1 393 393 GLN H H 393 7.701 7.701 7.434 0.267 25829 2490 1 6 . 1 1 394 394 ASP N N 394 121.430 121.430 122.529 -1.099 25829 2491 1 6 . 1 1 394 394 ASP HA H 394 4.260 4.260 4.377 -0.117 25829 2492 1 6 . 1 1 394 394 ASP CA C 394 55.700 55.700 56.050 -0.350 25829 2493 1 6 . 1 1 394 394 ASP CB C 394 39.700 39.700 40.317 -0.617 25829 2494 1 6 . 1 1 394 394 ASP H H 394 8.623 8.623 8.727 -0.104 25829 2495 1 6 . 1 1 395 395 SER N N 395 108.500 108.500 113.975 -5.475 25829 2496 1 6 . 1 1 395 395 SER HA H 395 4.293 4.293 4.243 0.050 25829 2497 1 6 . 1 1 395 395 SER CA C 395 56.340 56.340 58.899 -2.559 25829 2498 1 6 . 1 1 395 395 SER CB C 395 62.319 62.319 63.135 -0.816 25829 2499 1 6 . 1 1 395 395 SER H H 395 7.437 7.437 7.880 -0.443 25829 2500 1 6 . 1 1 396 396 ALA N N 396 127.500 127.500 124.877 2.623 25829 2501 1 6 . 1 1 396 396 ALA HA H 396 3.974 3.974 2.434 1.540 25829 2502 1 6 . 1 1 396 396 ALA CA C 396 51.617 51.617 50.717 0.900 25829 2503 1 6 . 1 1 396 396 ALA CB C 396 15.670 15.670 16.875 -1.205 25829 2504 1 6 . 1 1 396 396 ALA H H 396 7.077 7.077 7.261 -0.184 25829 2505 1 6 . 1 1 397 397 THR N N 397 115.344 115.344 112.961 2.383 25829 2506 1 6 . 1 1 397 397 THR HA H 397 4.760 4.760 4.774 -0.014 25829 2507 1 6 . 1 1 397 397 THR CA C 397 58.900 58.900 60.453 -1.552 25829 2508 1 6 . 1 1 397 397 THR CB C 397 70.600 70.600 71.804 -1.204 25829 2509 1 6 . 1 1 397 397 THR H H 397 7.802 7.802 7.907 -0.105 25829 2510 1 6 . 1 1 398 398 LEU N N 398 122.107 122.107 126.269 -4.162 25829 2511 1 6 . 1 1 398 398 LEU HA H 398 4.402 4.402 4.141 0.261 25829 2512 1 6 . 1 1 398 398 LEU CA C 398 57.949 57.949 58.801 -0.852 25829 2513 1 6 . 1 1 398 398 LEU CB C 398 40.435 40.435 41.237 -0.802 25829 2514 1 6 . 1 1 398 398 LEU H H 398 8.686 8.686 9.205 -0.519 25829 2515 1 6 . 1 1 399 399 ASP N N 399 116.774 116.774 119.383 -2.609 25829 2516 1 6 . 1 1 399 399 ASP HA H 399 4.340 4.340 4.331 0.009 25829 2517 1 6 . 1 1 399 399 ASP CA C 399 57.209 57.209 57.868 -0.659 25829 2518 1 6 . 1 1 399 399 ASP CB C 399 39.800 39.800 40.453 -0.653 25829 2519 1 6 . 1 1 399 399 ASP H H 399 8.592 8.592 8.513 0.079 25829 2520 1 6 . 1 1 400 400 ALA N N 400 123.457 123.457 122.003 1.454 25829 2521 1 6 . 1 1 400 400 ALA HA H 400 4.265 4.265 4.349 -0.084 25829 2522 1 6 . 1 1 400 400 ALA CA C 400 54.429 54.429 54.844 -0.415 25829 2523 1 6 . 1 1 400 400 ALA CB C 400 17.800 17.800 18.821 -1.021 25829 2524 1 6 . 1 1 400 400 ALA H H 400 8.285 8.285 8.065 0.220 25829 2525 1 6 . 1 1 401 401 LEU N N 401 121.963 121.963 120.899 1.064 25829 2526 1 6 . 1 1 401 401 LEU HA H 401 3.774 3.774 3.879 -0.105 25829 2527 1 6 . 1 1 401 401 LEU CA C 401 57.306 57.306 58.059 -0.753 25829 2528 1 6 . 1 1 401 401 LEU CB C 401 40.560 40.560 42.221 -1.661 25829 2529 1 6 . 1 1 401 401 LEU H H 401 7.952 7.952 8.366 -0.414 25829 2530 1 6 . 1 1 402 402 LEU N N 402 117.440 117.440 117.908 -0.468 25829 2531 1 6 . 1 1 402 402 LEU HA H 402 3.837 3.837 3.870 -0.033 25829 2532 1 6 . 1 1 402 402 LEU CA C 402 57.400 57.400 57.926 -0.526 25829 2533 1 6 . 1 1 402 402 LEU CB C 402 39.700 39.700 41.324 -1.624 25829 2534 1 6 . 1 1 402 402 LEU H H 402 8.633 8.633 8.747 -0.114 25829 2535 1 6 . 1 1 403 403 ALA N N 403 119.971 119.971 121.503 -1.532 25829 2536 1 6 . 1 1 403 403 ALA HA H 403 3.993 3.993 3.937 0.056 25829 2537 1 6 . 1 1 403 403 ALA CA C 403 54.500 54.500 55.083 -0.583 25829 2538 1 6 . 1 1 403 403 ALA CB C 403 17.200 17.200 17.926 -0.726 25829 2539 1 6 . 1 1 403 403 ALA H H 403 8.132 8.132 7.582 0.550 25829 2540 1 6 . 1 1 404 404 ALA N N 404 121.297 121.297 121.630 -0.333 25829 2541 1 6 . 1 1 404 404 ALA HA H 404 3.815 3.815 3.960 -0.145 25829 2542 1 6 . 1 1 404 404 ALA CA C 404 54.800 54.800 54.776 0.024 25829 2543 1 6 . 1 1 404 404 ALA CB C 404 18.100 18.100 18.465 -0.364 25829 2544 1 6 . 1 1 404 404 ALA H H 404 7.610 7.610 7.832 -0.222 25829 2545 1 6 . 1 1 405 405 LEU N N 405 116.480 116.480 118.798 -2.318 25829 2546 1 6 . 1 1 405 405 LEU HA H 405 3.853 3.853 3.818 0.035 25829 2547 1 6 . 1 1 405 405 LEU CA C 405 56.591 56.591 58.010 -1.419 25829 2548 1 6 . 1 1 405 405 LEU CB C 405 41.000 41.000 41.679 -0.679 25829 2549 1 6 . 1 1 405 405 LEU H H 405 8.009 8.009 8.434 -0.425 25829 2550 1 6 . 1 1 406 406 ARG N N 406 118.300 118.300 119.162 -0.862 25829 2551 1 6 . 1 1 406 406 ARG HA H 406 3.804 3.804 4.051 -0.247 25829 2552 1 6 . 1 1 406 406 ARG CA C 406 59.650 59.650 58.740 0.910 25829 2553 1 6 . 1 1 406 406 ARG CB C 406 29.300 29.300 29.697 -0.397 25829 2554 1 6 . 1 1 406 406 ARG H H 406 7.983 7.983 8.164 -0.181 25829 2555 1 6 . 1 1 407 407 ARG N N 407 120.307 120.307 119.340 0.967 25829 2556 1 6 . 1 1 407 407 ARG HA H 407 4.085 4.085 4.136 -0.051 25829 2557 1 6 . 1 1 407 407 ARG CA C 407 59.552 59.552 58.255 1.297 25829 2558 1 6 . 1 1 407 407 ARG CB C 407 29.700 29.700 29.766 -0.066 25829 2559 1 6 . 1 1 407 407 ARG H H 407 7.916 7.916 7.808 0.108 25829 2560 1 6 . 1 1 408 408 ILE N N 408 110.637 110.637 112.694 -2.057 25829 2561 1 6 . 1 1 408 408 ILE HA H 408 4.530 4.530 4.454 0.076 25829 2562 1 6 . 1 1 408 408 ILE CA C 408 60.500 60.500 60.331 0.169 25829 2563 1 6 . 1 1 408 408 ILE CB C 408 36.148 36.148 37.333 -1.185 25829 2564 1 6 . 1 1 408 408 ILE H H 408 7.274 7.274 7.246 0.028 25829 2565 1 6 . 1 1 409 409 GLN N N 409 113.647 113.647 116.758 -3.111 25829 2566 1 6 . 1 1 409 409 GLN HA H 409 3.962 3.962 3.962 0.000 25829 2567 1 6 . 1 1 409 409 GLN CA C 409 56.289 56.289 57.275 -0.986 25829 2568 1 6 . 1 1 409 409 GLN CB C 409 24.550 24.550 25.996 -1.446 25829 2569 1 6 . 1 1 409 409 GLN H H 409 7.714 7.714 7.681 0.033 25829 2570 1 6 . 1 1 410 410 ARG N N 410 117.152 117.152 117.532 -0.380 25829 2571 1 6 . 1 1 410 410 ARG HA H 410 5.039 5.039 4.619 0.420 25829 2572 1 6 . 1 1 410 410 ARG CA C 410 50.920 50.920 53.972 -3.052 25829 2573 1 6 . 1 1 410 410 ARG CB C 410 26.600 26.600 30.273 -3.673 25829 2574 1 6 . 1 1 410 410 ARG H H 410 8.029 8.029 7.998 0.031 25829 2575 1 6 . 1 1 411 411 ALA N N 411 123.065 123.065 122.661 0.404 25829 2576 1 6 . 1 1 411 411 ALA HA H 411 3.854 3.854 3.893 -0.039 25829 2577 1 6 . 1 1 411 411 ALA CA C 411 54.287 54.287 55.294 -1.007 25829 2578 1 6 . 1 1 411 411 ALA CB C 411 17.691 17.691 18.704 -1.013 25829 2579 1 6 . 1 1 411 411 ALA H H 411 8.121 8.121 8.404 -0.283 25829 2580 1 6 . 1 1 412 412 ASP N N 412 116.575 116.575 117.130 -0.555 25829 2581 1 6 . 1 1 412 412 ASP HA H 412 4.251 4.251 4.257 -0.006 25829 2582 1 6 . 1 1 412 412 ASP CA C 412 55.566 55.566 56.781 -1.215 25829 2583 1 6 . 1 1 412 412 ASP CB C 412 38.000 38.000 39.596 -1.596 25829 2584 1 6 . 1 1 412 412 ASP H H 412 8.916 8.916 8.561 0.355 25829 2585 1 6 . 1 1 413 413 LEU N N 413 120.881 120.881 121.084 -0.203 25829 2586 1 6 . 1 1 413 413 LEU HA H 413 4.134 4.134 3.996 0.138 25829 2587 1 6 . 1 1 413 413 LEU CA C 413 56.251 56.251 57.103 -0.852 25829 2588 1 6 . 1 1 413 413 LEU CB C 413 41.190 41.190 42.157 -0.967 25829 2589 1 6 . 1 1 413 413 LEU H H 413 7.497 7.497 7.705 -0.208 25829 2590 1 6 . 1 1 414 414 VAL N N 414 117.403 117.403 118.913 -1.510 25829 2591 1 6 . 1 1 414 414 VAL HA H 414 3.475 3.475 3.483 -0.008 25829 2592 1 6 . 1 1 414 414 VAL CA C 414 65.682 65.682 67.260 -1.578 25829 2593 1 6 . 1 1 414 414 VAL CB C 414 31.000 31.000 31.234 -0.234 25829 2594 1 6 . 1 1 414 414 VAL H H 414 7.158 7.158 8.305 -1.147 25829 2595 1 6 . 1 1 415 415 GLU N N 415 118.645 118.645 119.708 -1.063 25829 2596 1 6 . 1 1 415 415 GLU HA H 415 3.957 3.957 3.942 0.015 25829 2597 1 6 . 1 1 415 415 GLU CA C 415 58.698 58.698 59.780 -1.082 25829 2598 1 6 . 1 1 415 415 GLU CB C 415 28.535 28.535 29.410 -0.875 25829 2599 1 6 . 1 1 415 415 GLU H H 415 8.023 8.023 7.882 0.141 25829 2600 1 6 . 1 1 416 416 SER N N 416 113.570 113.570 115.170 -1.600 25829 2601 1 6 . 1 1 416 416 SER HA H 416 4.230 4.230 4.183 0.047 25829 2602 1 6 . 1 1 416 416 SER CA C 416 60.774 60.774 61.472 -0.698 25829 2603 1 6 . 1 1 416 416 SER CB C 416 62.641 62.641 63.361 -0.720 25829 2604 1 6 . 1 1 416 416 SER H H 416 7.668 7.668 7.708 -0.040 25829 2605 1 6 . 1 1 417 417 LEU N N 417 120.278 120.278 120.225 0.053 25829 2606 1 6 . 1 1 417 417 LEU HA H 417 4.220 4.220 4.318 -0.098 25829 2607 1 6 . 1 1 417 417 LEU CA C 417 55.974 55.974 56.874 -0.900 25829 2608 1 6 . 1 1 417 417 LEU CB C 417 42.477 42.477 42.378 0.099 25829 2609 1 6 . 1 1 417 417 LEU H H 417 7.727 7.727 7.755 -0.028 25829 2610 1 6 . 1 1 418 418 CYS N N 418 116.200 116.200 119.892 -3.692 25829 2611 1 6 . 1 1 418 418 CYS HA H 418 4.490 4.490 4.006 0.484 25829 2612 1 6 . 1 1 418 418 CYS CA C 418 59.010 59.010 62.776 -3.766 25829 2613 1 6 . 1 1 418 418 CYS CB C 418 27.300 27.300 26.860 0.440 25829 2614 1 6 . 1 1 418 418 CYS H H 418 7.855 7.855 8.850 -0.995 25829 2615 1 6 . 1 1 419 419 SER N N 419 116.680 116.680 115.918 0.762 25829 2616 1 6 . 1 1 419 419 SER HA H 419 4.402 4.402 4.056 0.346 25829 2617 1 6 . 1 1 419 419 SER CA C 419 58.284 58.284 61.942 -3.658 25829 2618 1 6 . 1 1 419 419 SER CB C 419 63.179 63.179 62.940 0.239 25829 2619 1 6 . 1 1 419 419 SER H H 419 7.813 7.813 7.990 -0.177 25829 2620 1 6 . 1 1 420 420 GLU N N 420 122.629 122.629 119.256 3.373 25829 2621 1 6 . 1 1 420 420 GLU HA H 420 4.338 4.338 4.326 0.012 25829 2622 1 6 . 1 1 420 420 GLU CA C 420 56.021 56.021 57.386 -1.365 25829 2623 1 6 . 1 1 420 420 GLU CB C 420 29.569 29.569 29.888 -0.319 25829 2624 1 6 . 1 1 420 420 GLU H H 420 8.456 8.456 7.603 0.853 25829 2625 1 6 . 1 1 421 421 SER N N 421 116.600 116.600 113.601 2.999 25829 2626 1 6 . 1 1 421 421 SER HA H 421 4.470 4.470 4.346 0.124 25829 2627 1 6 . 1 1 421 421 SER CA C 421 57.800 57.800 60.378 -2.578 25829 2628 1 6 . 1 1 421 421 SER CB C 421 63.180 63.180 63.734 -0.554 25829 2629 1 6 . 1 1 421 421 SER H H 421 8.321 8.321 7.743 0.578 25829 2630 1 6 . 1 1 422 422 THR N N 422 115.756 115.756 118.075 -2.319 25829 2631 1 6 . 1 1 422 422 THR HA H 422 4.331 4.331 4.471 -0.140 25829 2632 1 6 . 1 1 422 422 THR CA C 422 61.100 61.100 61.831 -0.732 25829 2633 1 6 . 1 1 422 422 THR CB C 422 69.000 69.000 69.402 -0.402 25829 2634 1 6 . 1 1 422 422 THR H H 422 8.144 8.144 7.857 0.287 25829 2635 1 6 . 1 1 423 423 ALA N N 423 126.280 126.280 128.000 -1.720 25829 2636 1 6 . 1 1 423 423 ALA HA H 423 4.369 4.369 4.404 -0.035 25829 2637 1 6 . 1 1 423 423 ALA CA C 423 52.060 52.060 52.368 -0.308 25829 2638 1 6 . 1 1 423 423 ALA CB C 423 18.600 18.600 19.799 -1.199 25829 2639 1 6 . 1 1 423 423 ALA H H 423 8.233 8.233 8.242 -0.009 25829 2640 1 6 . 1 1 424 424 THR N N 424 113.047 113.047 111.697 1.350 25829 2641 1 6 . 1 1 424 424 THR HA H 424 4.316 4.316 4.299 0.017 25829 2642 1 6 . 1 1 424 424 THR CA C 424 60.990 60.990 62.268 -1.278 25829 2643 1 6 . 1 1 424 424 THR CB C 424 69.200 69.200 69.472 -0.272 25829 2644 1 6 . 1 1 424 424 THR H H 424 8.061 8.061 8.185 -0.124 25829 2645 1 6 . 1 1 425 425 SER N N 425 119.479 119.479 119.112 0.367 25829 2646 1 6 . 1 1 425 425 SER HA H 425 4.755 4.755 4.609 0.146 25829 2647 1 6 . 1 1 425 425 SER CA C 425 55.720 55.720 57.207 -1.487 25829 2648 1 6 . 1 1 425 425 SER CB C 425 62.800 62.800 64.012 -1.212 25829 2649 1 6 . 1 1 425 425 SER H H 425 8.215 8.215 8.010 0.205 25829 2650 1 6 . 1 1 426 426 PRO HA H 426 4.461 4.461 4.480 -0.019 25829 2651 1 6 . 1 1 426 426 PRO CA C 426 62.851 62.851 64.024 -1.173 25829 2652 1 6 . 1 1 426 426 PRO CB C 426 31.308 31.308 32.144 -0.836 25829 2653 1 7 . 1 1 335 335 LEU N N 335 120.860 120.860 121.233 -0.373 25829 2654 1 7 . 1 1 335 335 LEU HA H 335 4.203 4.203 4.450 -0.247 25829 2655 1 7 . 1 1 335 335 LEU CA C 335 54.890 54.890 54.158 0.732 25829 2656 1 7 . 1 1 335 335 LEU CB C 335 40.860 40.860 43.549 -2.689 25829 2657 1 7 . 1 1 335 335 LEU H H 335 8.289 8.289 7.790 0.499 25829 2658 1 7 . 1 1 336 336 TYR N N 336 127.150 127.150 125.068 2.082 25829 2659 1 7 . 1 1 336 336 TYR HA H 336 4.042 4.042 4.200 -0.158 25829 2660 1 7 . 1 1 336 336 TYR CA C 336 61.360 61.360 61.174 0.186 25829 2661 1 7 . 1 1 336 336 TYR CB C 336 38.768 38.768 38.920 -0.152 25829 2662 1 7 . 1 1 336 336 TYR H H 336 9.027 9.027 9.109 -0.082 25829 2663 1 7 . 1 1 337 337 SER N N 337 111.560 111.560 111.985 -0.425 25829 2664 1 7 . 1 1 337 337 SER HA H 337 3.926 3.926 4.156 -0.230 25829 2665 1 7 . 1 1 337 337 SER CA C 337 59.251 59.251 59.844 -0.593 25829 2666 1 7 . 1 1 337 337 SER CB C 337 62.235 62.235 62.682 -0.447 25829 2667 1 7 . 1 1 337 337 SER H H 337 9.318 9.318 8.534 0.784 25829 2668 1 7 . 1 1 338 338 SER N N 338 115.800 115.800 115.228 0.572 25829 2669 1 7 . 1 1 338 338 SER HA H 338 4.465 4.465 4.317 0.148 25829 2670 1 7 . 1 1 338 338 SER CA C 338 58.120 58.120 59.125 -1.005 25829 2671 1 7 . 1 1 338 338 SER CB C 338 63.663 63.663 63.505 0.158 25829 2672 1 7 . 1 1 338 338 SER H H 338 7.459 7.459 7.635 -0.176 25829 2673 1 7 . 1 1 339 339 LEU N N 339 123.972 123.972 123.068 0.904 25829 2674 1 7 . 1 1 339 339 LEU HA H 339 4.366 4.366 4.286 0.080 25829 2675 1 7 . 1 1 339 339 LEU CA C 339 52.936 52.936 53.508 -0.572 25829 2676 1 7 . 1 1 339 339 LEU CB C 339 40.889 40.889 41.224 -0.335 25829 2677 1 7 . 1 1 339 339 LEU H H 339 7.520 7.520 7.164 0.356 25829 2678 1 7 . 1 1 340 340 PRO HA H 340 4.723 4.723 4.647 0.076 25829 2679 1 7 . 1 1 340 340 PRO CA C 340 60.800 60.800 61.395 -0.595 25829 2680 1 7 . 1 1 340 340 PRO CB C 340 27.300 27.300 31.090 -3.790 25829 2681 1 7 . 1 1 341 341 PRO HA H 341 3.971 3.971 4.196 -0.225 25829 2682 1 7 . 1 1 341 341 PRO CA C 341 65.204 65.204 65.567 -0.363 25829 2683 1 7 . 1 1 341 341 PRO CB C 341 31.100 31.100 31.512 -0.411 25829 2684 1 7 . 1 1 342 342 ALA N N 342 117.460 117.460 121.488 -4.028 25829 2685 1 7 . 1 1 342 342 ALA HA H 342 4.125 4.125 4.056 0.069 25829 2686 1 7 . 1 1 342 342 ALA CA C 342 54.529 54.529 55.082 -0.553 25829 2687 1 7 . 1 1 342 342 ALA CB C 342 17.700 17.700 17.792 -0.092 25829 2688 1 7 . 1 1 342 342 ALA H H 342 8.625 8.625 8.289 0.336 25829 2689 1 7 . 1 1 343 343 LYS N N 343 117.364 117.364 118.785 -1.421 25829 2690 1 7 . 1 1 343 343 LYS HA H 343 4.295 4.295 4.010 0.285 25829 2691 1 7 . 1 1 343 343 LYS CA C 343 56.167 56.167 59.283 -3.116 25829 2692 1 7 . 1 1 343 343 LYS CB C 343 30.889 30.889 31.829 -0.940 25829 2693 1 7 . 1 1 343 343 LYS H H 343 7.254 7.254 8.217 -0.963 25829 2694 1 7 . 1 1 344 344 ARG N N 344 118.680 118.680 117.915 0.765 25829 2695 1 7 . 1 1 344 344 ARG HA H 344 3.850 3.850 4.215 -0.365 25829 2696 1 7 . 1 1 344 344 ARG CA C 344 59.660 59.660 59.299 0.361 25829 2697 1 7 . 1 1 344 344 ARG CB C 344 29.300 29.300 30.065 -0.765 25829 2698 1 7 . 1 1 344 344 ARG H H 344 7.410 7.410 7.522 -0.112 25829 2699 1 7 . 1 1 345 345 GLU N N 345 118.035 118.035 119.409 -1.374 25829 2700 1 7 . 1 1 345 345 GLU HA H 345 3.926 3.926 4.096 -0.170 25829 2701 1 7 . 1 1 345 345 GLU CA C 345 58.720 58.720 59.590 -0.870 25829 2702 1 7 . 1 1 345 345 GLU CB C 345 28.600 28.600 29.355 -0.755 25829 2703 1 7 . 1 1 345 345 GLU H H 345 8.267 8.267 7.858 0.409 25829 2704 1 7 . 1 1 346 346 GLU N N 346 119.810 119.810 119.879 -0.069 25829 2705 1 7 . 1 1 346 346 GLU HA H 346 3.950 3.950 4.131 -0.181 25829 2706 1 7 . 1 1 346 346 GLU CA C 346 59.000 59.000 59.212 -0.211 25829 2707 1 7 . 1 1 346 346 GLU CB C 346 29.113 29.113 29.195 -0.082 25829 2708 1 7 . 1 1 346 346 GLU H H 346 7.444 7.444 8.487 -1.043 25829 2709 1 7 . 1 1 347 347 VAL N N 347 119.540 119.540 119.378 0.162 25829 2710 1 7 . 1 1 347 347 VAL HA H 347 3.470 3.470 3.684 -0.214 25829 2711 1 7 . 1 1 347 347 VAL CA C 347 66.267 66.267 66.731 -0.464 25829 2712 1 7 . 1 1 347 347 VAL CB C 347 30.800 30.800 31.239 -0.439 25829 2713 1 7 . 1 1 347 347 VAL H H 347 7.938 7.938 8.521 -0.583 25829 2714 1 7 . 1 1 348 348 GLU N N 348 118.250 118.250 119.777 -1.527 25829 2715 1 7 . 1 1 348 348 GLU HA H 348 3.513 3.513 4.062 -0.549 25829 2716 1 7 . 1 1 348 348 GLU CA C 348 59.609 59.609 59.602 0.007 25829 2717 1 7 . 1 1 348 348 GLU CB C 348 28.620 28.620 29.436 -0.817 25829 2718 1 7 . 1 1 348 348 GLU H H 348 8.094 8.094 7.715 0.379 25829 2719 1 7 . 1 1 349 349 LYS N N 349 118.860 118.860 119.954 -1.094 25829 2720 1 7 . 1 1 349 349 LYS HA H 349 3.948 3.948 4.067 -0.119 25829 2721 1 7 . 1 1 349 349 LYS CA C 349 59.000 59.000 59.621 -0.621 25829 2722 1 7 . 1 1 349 349 LYS CB C 349 31.809 31.809 32.585 -0.776 25829 2723 1 7 . 1 1 349 349 LYS H H 349 8.319 8.319 8.288 0.031 25829 2724 1 7 . 1 1 350 350 LEU N N 350 120.820 120.820 118.891 1.929 25829 2725 1 7 . 1 1 350 350 LEU HA H 350 4.050 4.050 4.187 -0.137 25829 2726 1 7 . 1 1 350 350 LEU CA C 350 56.954 56.954 57.537 -0.583 25829 2727 1 7 . 1 1 350 350 LEU CB C 350 41.300 41.300 41.947 -0.647 25829 2728 1 7 . 1 1 350 350 LEU H H 350 8.020 8.020 8.142 -0.122 25829 2729 1 7 . 1 1 351 351 LEU N N 351 117.800 117.800 120.471 -2.671 25829 2730 1 7 . 1 1 351 351 LEU HA H 351 4.020 4.020 4.057 -0.037 25829 2731 1 7 . 1 1 351 351 LEU CA C 351 56.700 56.700 57.465 -0.765 25829 2732 1 7 . 1 1 351 351 LEU CB C 351 41.470 41.470 41.648 -0.178 25829 2733 1 7 . 1 1 351 351 LEU H H 351 8.205 8.205 7.669 0.536 25829 2734 1 7 . 1 1 352 352 ASN N N 352 118.847 118.847 117.491 1.356 25829 2735 1 7 . 1 1 352 352 ASN HA H 352 4.487 4.487 4.564 -0.077 25829 2736 1 7 . 1 1 352 352 ASN CA C 352 54.980 54.980 55.775 -0.795 25829 2737 1 7 . 1 1 352 352 ASN CB C 352 38.660 38.660 38.447 0.213 25829 2738 1 7 . 1 1 352 352 ASN H H 352 8.613 8.613 7.880 0.733 25829 2739 1 7 . 1 1 353 353 GLY N N 353 104.836 104.836 104.733 0.103 25829 2740 1 7 . 1 1 353 353 GLY CA C 353 45.100 45.100 45.067 0.033 25829 2741 1 7 . 1 1 353 353 GLY H H 353 7.803 7.803 7.498 0.305 25829 2742 1 7 . 1 1 354 354 SER N N 354 115.370 115.370 115.977 -0.607 25829 2743 1 7 . 1 1 354 354 SER HA H 354 4.530 4.530 4.458 0.072 25829 2744 1 7 . 1 1 354 354 SER CA C 354 58.317 58.317 59.465 -1.148 25829 2745 1 7 . 1 1 354 354 SER CB C 354 63.678 63.678 64.439 -0.761 25829 2746 1 7 . 1 1 354 354 SER H H 354 7.567 7.567 7.867 -0.300 25829 2747 1 7 . 1 1 355 355 ALA N N 355 124.206 124.206 120.015 4.191 25829 2748 1 7 . 1 1 355 355 ALA HA H 355 4.455 4.455 4.365 0.090 25829 2749 1 7 . 1 1 355 355 ALA CA C 355 51.960 51.960 52.614 -0.654 25829 2750 1 7 . 1 1 355 355 ALA CB C 355 18.545 18.545 19.106 -0.561 25829 2751 1 7 . 1 1 355 355 ALA H H 355 8.334 8.334 7.612 0.722 25829 2752 1 7 . 1 1 356 356 GLY N N 356 108.886 108.886 108.116 0.770 25829 2753 1 7 . 1 1 356 356 GLY CA C 356 46.340 46.340 46.313 0.027 25829 2754 1 7 . 1 1 356 356 GLY H H 356 8.613 8.613 8.264 0.349 25829 2755 1 7 . 1 1 357 357 ASP N N 357 119.161 119.161 118.422 0.739 25829 2756 1 7 . 1 1 357 357 ASP HA H 357 4.490 4.490 4.411 0.079 25829 2757 1 7 . 1 1 357 357 ASP CA C 357 53.700 53.700 53.189 0.511 25829 2758 1 7 . 1 1 357 357 ASP CB C 357 39.418 39.418 40.452 -1.034 25829 2759 1 7 . 1 1 357 357 ASP H H 357 8.534 8.534 8.024 0.510 25829 2760 1 7 . 1 1 358 358 THR N N 358 116.000 116.000 117.598 -1.598 25829 2761 1 7 . 1 1 358 358 THR HA H 358 3.855 3.855 3.778 0.077 25829 2762 1 7 . 1 1 358 358 THR CA C 358 66.123 66.123 67.372 -1.249 25829 2763 1 7 . 1 1 358 358 THR CB C 358 67.860 67.860 68.408 -0.548 25829 2764 1 7 . 1 1 358 358 THR H H 358 7.864 7.864 8.542 -0.678 25829 2765 1 7 . 1 1 359 359 TRP N N 359 118.670 118.670 120.003 -1.333 25829 2766 1 7 . 1 1 359 359 TRP HA H 359 3.930 3.930 4.183 -0.253 25829 2767 1 7 . 1 1 359 359 TRP CA C 359 59.500 59.500 58.865 0.635 25829 2768 1 7 . 1 1 359 359 TRP CB C 359 26.859 26.859 27.638 -0.779 25829 2769 1 7 . 1 1 359 359 TRP H H 359 8.287 8.287 8.145 0.142 25829 2770 1 7 . 1 1 360 360 ARG N N 360 122.263 122.263 120.276 1.987 25829 2771 1 7 . 1 1 360 360 ARG HA H 360 2.995 2.995 3.276 -0.281 25829 2772 1 7 . 1 1 360 360 ARG CA C 360 58.797 58.797 59.087 -0.290 25829 2773 1 7 . 1 1 360 360 ARG CB C 360 28.650 28.650 29.337 -0.687 25829 2774 1 7 . 1 1 360 360 ARG H H 360 6.341 6.341 6.987 -0.646 25829 2775 1 7 . 1 1 361 361 HIS N N 361 120.604 120.604 118.467 2.137 25829 2776 1 7 . 1 1 361 361 HIS HA H 361 4.379 4.379 4.264 0.115 25829 2777 1 7 . 1 1 361 361 HIS CA C 361 57.124 57.124 58.753 -1.629 25829 2778 1 7 . 1 1 361 361 HIS CB C 361 29.551 29.551 29.927 -0.376 25829 2779 1 7 . 1 1 361 361 HIS H H 361 7.370 7.370 7.620 -0.250 25829 2780 1 7 . 1 1 362 362 LEU N N 362 120.734 120.734 120.317 0.417 25829 2781 1 7 . 1 1 362 362 LEU HA H 362 3.750 3.750 3.873 -0.123 25829 2782 1 7 . 1 1 362 362 LEU CA C 362 57.153 57.153 57.805 -0.652 25829 2783 1 7 . 1 1 362 362 LEU CB C 362 40.886 40.886 41.669 -0.783 25829 2784 1 7 . 1 1 362 362 LEU H H 362 8.365 8.365 7.822 0.543 25829 2785 1 7 . 1 1 363 363 ALA N N 363 118.919 118.919 120.820 -1.901 25829 2786 1 7 . 1 1 363 363 ALA HA H 363 3.824 3.824 3.909 -0.085 25829 2787 1 7 . 1 1 363 363 ALA CA C 363 54.910 54.910 55.489 -0.579 25829 2788 1 7 . 1 1 363 363 ALA CB C 363 18.000 18.000 17.976 0.024 25829 2789 1 7 . 1 1 363 363 ALA H H 363 8.384 8.384 8.542 -0.158 25829 2790 1 7 . 1 1 364 364 GLY N N 364 103.970 103.970 105.945 -1.975 25829 2791 1 7 . 1 1 364 364 GLY CA C 364 46.452 46.452 47.104 -0.652 25829 2792 1 7 . 1 1 364 364 GLY H H 364 7.679 7.679 7.769 -0.090 25829 2793 1 7 . 1 1 365 365 GLU N N 365 122.387 122.387 120.734 1.653 25829 2794 1 7 . 1 1 365 365 GLU HA H 365 4.250 4.250 4.290 -0.040 25829 2795 1 7 . 1 1 365 365 GLU CA C 365 57.100 57.100 57.439 -0.339 25829 2796 1 7 . 1 1 365 365 GLU CB C 365 29.043 29.043 29.434 -0.391 25829 2797 1 7 . 1 1 365 365 GLU H H 365 7.724 7.724 7.687 0.037 25829 2798 1 7 . 1 1 366 366 LEU N N 366 117.748 117.748 118.492 -0.744 25829 2799 1 7 . 1 1 366 366 LEU HA H 366 4.329 4.329 4.369 -0.040 25829 2800 1 7 . 1 1 366 366 LEU CA C 366 53.898 53.898 55.011 -1.113 25829 2801 1 7 . 1 1 366 366 LEU CB C 366 40.569 40.569 42.170 -1.601 25829 2802 1 7 . 1 1 366 366 LEU H H 366 7.813 7.813 8.135 -0.322 25829 2803 1 7 . 1 1 367 367 GLY N N 367 105.744 105.744 106.229 -0.485 25829 2804 1 7 . 1 1 367 367 GLY CA C 367 44.900 44.900 45.241 -0.341 25829 2805 1 7 . 1 1 367 367 GLY H H 367 7.636 7.636 7.368 0.268 25829 2806 1 7 . 1 1 368 368 TYR N N 368 119.550 119.550 120.742 -1.192 25829 2807 1 7 . 1 1 368 368 TYR HA H 368 4.450 4.450 4.412 0.038 25829 2808 1 7 . 1 1 368 368 TYR CA C 368 58.960 58.960 59.683 -0.723 25829 2809 1 7 . 1 1 368 368 TYR CB C 368 37.990 37.990 39.053 -1.063 25829 2810 1 7 . 1 1 368 368 TYR H H 368 7.958 7.958 8.041 -0.083 25829 2811 1 7 . 1 1 369 369 GLN N N 369 123.108 123.108 124.286 -1.178 25829 2812 1 7 . 1 1 369 369 GLN HA H 369 4.600 4.600 4.396 0.204 25829 2813 1 7 . 1 1 369 369 GLN CA C 369 53.400 53.400 55.408 -2.008 25829 2814 1 7 . 1 1 369 369 GLN CB C 369 27.110 27.110 28.455 -1.345 25829 2815 1 7 . 1 1 369 369 GLN H H 369 9.767 9.767 8.854 0.913 25829 2816 1 7 . 1 1 370 370 PRO HA H 370 4.057 4.057 4.301 -0.244 25829 2817 1 7 . 1 1 370 370 PRO CA C 370 66.262 66.262 65.585 0.677 25829 2818 1 7 . 1 1 370 370 PRO CB C 370 31.384 31.384 31.918 -0.533 25829 2819 1 7 . 1 1 371 371 GLU N N 371 116.204 116.204 118.389 -2.185 25829 2820 1 7 . 1 1 371 371 GLU HA H 371 4.111 4.111 4.067 0.044 25829 2821 1 7 . 1 1 371 371 GLU CA C 371 58.661 58.661 59.195 -0.534 25829 2822 1 7 . 1 1 371 371 GLU CB C 371 27.741 27.741 27.987 -0.246 25829 2823 1 7 . 1 1 371 371 GLU H H 371 9.493 9.493 9.047 0.446 25829 2824 1 7 . 1 1 372 372 HIS N N 372 120.310 120.310 119.563 0.747 25829 2825 1 7 . 1 1 372 372 HIS HA H 372 4.425 4.425 4.189 0.236 25829 2826 1 7 . 1 1 372 372 HIS CA C 372 57.070 57.070 58.340 -1.270 25829 2827 1 7 . 1 1 372 372 HIS CB C 372 31.818 31.818 30.002 1.816 25829 2828 1 7 . 1 1 372 372 HIS H H 372 7.424 7.424 7.553 -0.129 25829 2829 1 7 . 1 1 373 373 ILE N N 373 120.390 120.390 120.526 -0.136 25829 2830 1 7 . 1 1 373 373 ILE HA H 373 3.708 3.708 4.092 -0.384 25829 2831 1 7 . 1 1 373 373 ILE CA C 373 65.480 65.480 65.912 -0.432 25829 2832 1 7 . 1 1 373 373 ILE CB C 373 37.329 37.329 37.822 -0.493 25829 2833 1 7 . 1 1 373 373 ILE H H 373 7.950 7.950 7.743 0.207 25829 2834 1 7 . 1 1 374 374 ASP N N 374 117.990 117.990 120.708 -2.718 25829 2835 1 7 . 1 1 374 374 ASP HA H 374 4.508 4.508 4.552 -0.044 25829 2836 1 7 . 1 1 374 374 ASP CA C 374 56.504 56.504 57.442 -0.938 25829 2837 1 7 . 1 1 374 374 ASP CB C 374 40.175 40.175 40.416 -0.241 25829 2838 1 7 . 1 1 374 374 ASP H H 374 8.142 8.142 8.096 0.046 25829 2839 1 7 . 1 1 375 375 SER N N 375 115.373 115.373 115.644 -0.271 25829 2840 1 7 . 1 1 375 375 SER HA H 375 4.207 4.207 4.272 -0.065 25829 2841 1 7 . 1 1 375 375 SER CA C 375 60.962 60.962 61.055 -0.093 25829 2842 1 7 . 1 1 375 375 SER CB C 375 61.999 61.999 63.210 -1.211 25829 2843 1 7 . 1 1 375 375 SER H H 375 7.485 7.485 7.979 -0.494 25829 2844 1 7 . 1 1 376 376 PHE N N 376 120.335 120.335 119.000 1.335 25829 2845 1 7 . 1 1 376 376 PHE HA H 376 4.503 4.503 4.521 -0.018 25829 2846 1 7 . 1 1 376 376 PHE CA C 376 58.170 58.170 59.131 -0.961 25829 2847 1 7 . 1 1 376 376 PHE CB C 376 37.729 37.729 39.038 -1.309 25829 2848 1 7 . 1 1 376 376 PHE H H 376 7.787 7.787 8.047 -0.260 25829 2849 1 7 . 1 1 377 377 THR N N 377 110.175 110.175 112.798 -2.623 25829 2850 1 7 . 1 1 377 377 THR HA H 377 3.908 3.908 4.341 -0.433 25829 2851 1 7 . 1 1 377 377 THR CA C 377 64.888 64.888 65.370 -0.482 25829 2852 1 7 . 1 1 377 377 THR CB C 377 68.990 68.990 68.915 0.075 25829 2853 1 7 . 1 1 377 377 THR H H 377 7.777 7.777 8.594 -0.817 25829 2854 1 7 . 1 1 378 378 HIS N N 378 116.164 116.164 119.464 -3.300 25829 2855 1 7 . 1 1 378 378 HIS HA H 378 4.630 4.630 4.795 -0.165 25829 2856 1 7 . 1 1 378 378 HIS CA C 378 55.189 55.189 56.133 -0.944 25829 2857 1 7 . 1 1 378 378 HIS CB C 378 28.700 28.700 30.055 -1.355 25829 2858 1 7 . 1 1 378 378 HIS H H 378 7.473 7.473 8.113 -0.640 25829 2859 1 7 . 1 1 379 379 GLU N N 379 119.465 119.465 120.469 -1.004 25829 2860 1 7 . 1 1 379 379 GLU HA H 379 4.194 4.194 4.555 -0.361 25829 2861 1 7 . 1 1 379 379 GLU CA C 379 54.632 54.632 55.345 -0.713 25829 2862 1 7 . 1 1 379 379 GLU CB C 379 29.247 29.247 31.593 -2.346 25829 2863 1 7 . 1 1 379 379 GLU H H 379 7.229 7.229 7.697 -0.468 25829 2864 1 7 . 1 1 380 380 ALA N N 380 123.121 123.121 125.557 -2.436 25829 2865 1 7 . 1 1 380 380 ALA HA H 380 3.983 3.983 4.251 -0.268 25829 2866 1 7 . 1 1 380 380 ALA CA C 380 54.134 54.134 53.721 0.413 25829 2867 1 7 . 1 1 380 380 ALA CB C 380 17.480 17.480 18.887 -1.407 25829 2868 1 7 . 1 1 380 380 ALA H H 380 8.624 8.624 8.467 0.157 25829 2869 1 7 . 1 1 381 381 CYS N N 381 114.618 114.618 116.996 -2.378 25829 2870 1 7 . 1 1 381 381 CYS HA H 381 4.650 4.650 4.782 -0.132 25829 2871 1 7 . 1 1 381 381 CYS CA C 381 54.700 54.700 55.974 -1.274 25829 2872 1 7 . 1 1 381 381 CYS CB C 381 26.580 26.580 28.084 -1.504 25829 2873 1 7 . 1 1 381 381 CYS H H 381 7.962 7.962 8.002 -0.040 25829 2874 1 7 . 1 1 382 382 PRO HA H 382 3.530 3.530 4.194 -0.664 25829 2875 1 7 . 1 1 382 382 PRO CA C 382 65.150 65.150 64.685 0.465 25829 2876 1 7 . 1 1 382 382 PRO CB C 382 30.400 30.400 31.228 -0.828 25829 2877 1 7 . 1 1 383 383 VAL N N 383 114.288 114.288 118.661 -4.373 25829 2878 1 7 . 1 1 383 383 VAL HA H 383 3.250 3.250 3.303 -0.053 25829 2879 1 7 . 1 1 383 383 VAL CA C 383 65.300 65.300 65.109 0.191 25829 2880 1 7 . 1 1 383 383 VAL CB C 383 30.489 30.489 31.399 -0.910 25829 2881 1 7 . 1 1 383 383 VAL H H 383 7.935 7.935 7.897 0.038 25829 2882 1 7 . 1 1 384 384 ARG N N 384 120.700 120.700 118.339 2.361 25829 2883 1 7 . 1 1 384 384 ARG HA H 384 3.782 3.782 4.127 -0.345 25829 2884 1 7 . 1 1 384 384 ARG CA C 384 58.700 58.700 59.317 -0.617 25829 2885 1 7 . 1 1 384 384 ARG CB C 384 29.545 29.545 29.795 -0.250 25829 2886 1 7 . 1 1 384 384 ARG H H 384 7.253 7.253 7.597 -0.344 25829 2887 1 7 . 1 1 385 385 ALA N N 385 121.849 121.849 122.978 -1.129 25829 2888 1 7 . 1 1 385 385 ALA HA H 385 4.010 4.010 4.028 -0.018 25829 2889 1 7 . 1 1 385 385 ALA CA C 385 54.015 54.015 54.914 -0.899 25829 2890 1 7 . 1 1 385 385 ALA CB C 385 17.600 17.600 18.268 -0.668 25829 2891 1 7 . 1 1 385 385 ALA H H 385 7.371 7.371 7.313 0.058 25829 2892 1 7 . 1 1 386 386 LEU N N 386 120.978 120.978 119.778 1.200 25829 2893 1 7 . 1 1 386 386 LEU HA H 386 2.817 2.817 3.541 -0.724 25829 2894 1 7 . 1 1 386 386 LEU CA C 386 56.800 56.800 57.646 -0.846 25829 2895 1 7 . 1 1 386 386 LEU CB C 386 40.600 40.600 41.636 -1.036 25829 2896 1 7 . 1 1 386 386 LEU H H 386 7.999 7.999 7.804 0.195 25829 2897 1 7 . 1 1 387 387 LEU N N 387 117.377 117.377 118.254 -0.877 25829 2898 1 7 . 1 1 387 387 LEU HA H 387 4.040 4.040 3.831 0.209 25829 2899 1 7 . 1 1 387 387 LEU CA C 387 57.390 57.390 57.907 -0.517 25829 2900 1 7 . 1 1 387 387 LEU CB C 387 40.200 40.200 41.403 -1.203 25829 2901 1 7 . 1 1 387 387 LEU H H 387 7.973 7.973 7.435 0.538 25829 2902 1 7 . 1 1 388 388 ALA N N 388 120.700 120.700 121.966 -1.266 25829 2903 1 7 . 1 1 388 388 ALA HA H 388 4.110 4.110 4.033 0.077 25829 2904 1 7 . 1 1 388 388 ALA CA C 388 54.162 54.162 55.132 -0.970 25829 2905 1 7 . 1 1 388 388 ALA CB C 388 17.437 17.437 18.268 -0.831 25829 2906 1 7 . 1 1 388 388 ALA H H 388 8.086 8.086 7.830 0.256 25829 2907 1 7 . 1 1 389 389 SER N N 389 111.963 111.963 113.921 -1.958 25829 2908 1 7 . 1 1 389 389 SER HA H 389 4.386 4.386 4.344 0.042 25829 2909 1 7 . 1 1 389 389 SER CA C 389 59.878 59.878 60.707 -0.829 25829 2910 1 7 . 1 1 389 389 SER CB C 389 62.639 62.639 63.430 -0.791 25829 2911 1 7 . 1 1 389 389 SER H H 389 7.446 7.446 8.240 -0.794 25829 2912 1 7 . 1 1 390 390 TRP N N 390 125.600 125.600 124.182 1.418 25829 2913 1 7 . 1 1 390 390 TRP HA H 390 4.319 4.319 4.667 -0.348 25829 2914 1 7 . 1 1 390 390 TRP CA C 390 60.946 60.946 60.608 0.338 25829 2915 1 7 . 1 1 390 390 TRP CB C 390 27.482 27.482 29.730 -2.248 25829 2916 1 7 . 1 1 390 390 TRP H H 390 9.032 9.032 8.536 0.496 25829 2917 1 7 . 1 1 391 391 ALA N N 391 114.481 114.481 119.306 -4.825 25829 2918 1 7 . 1 1 391 391 ALA HA H 391 3.583 3.583 4.168 -0.585 25829 2919 1 7 . 1 1 391 391 ALA CA C 391 52.859 52.859 54.031 -1.172 25829 2920 1 7 . 1 1 391 391 ALA CB C 391 18.590 18.590 18.407 0.183 25829 2921 1 7 . 1 1 391 391 ALA H H 391 8.312 8.312 7.814 0.498 25829 2922 1 7 . 1 1 392 392 THR N N 392 106.369 106.369 108.357 -1.988 25829 2923 1 7 . 1 1 392 392 THR HA H 392 4.196 4.196 4.146 0.050 25829 2924 1 7 . 1 1 392 392 THR CA C 392 62.128 62.128 63.501 -1.373 25829 2925 1 7 . 1 1 392 392 THR CB C 392 69.100 69.100 68.784 0.316 25829 2926 1 7 . 1 1 392 392 THR H H 392 7.238 7.238 7.769 -0.531 25829 2927 1 7 . 1 1 393 393 GLN N N 393 121.193 121.193 120.594 0.599 25829 2928 1 7 . 1 1 393 393 GLN HA H 393 4.295 4.295 4.620 -0.325 25829 2929 1 7 . 1 1 393 393 GLN CA C 393 54.971 54.971 54.521 0.450 25829 2930 1 7 . 1 1 393 393 GLN CB C 393 29.130 29.130 31.648 -2.518 25829 2931 1 7 . 1 1 393 393 GLN H H 393 7.701 7.701 7.495 0.206 25829 2932 1 7 . 1 1 394 394 ASP N N 394 121.430 121.430 122.659 -1.229 25829 2933 1 7 . 1 1 394 394 ASP HA H 394 4.260 4.260 4.328 -0.068 25829 2934 1 7 . 1 1 394 394 ASP CA C 394 55.700 55.700 56.365 -0.665 25829 2935 1 7 . 1 1 394 394 ASP CB C 394 39.700 39.700 40.507 -0.807 25829 2936 1 7 . 1 1 394 394 ASP H H 394 8.623 8.623 8.768 -0.145 25829 2937 1 7 . 1 1 395 395 SER N N 395 108.500 108.500 114.439 -5.939 25829 2938 1 7 . 1 1 395 395 SER HA H 395 4.293 4.293 4.161 0.132 25829 2939 1 7 . 1 1 395 395 SER CA C 395 56.340 56.340 59.422 -3.082 25829 2940 1 7 . 1 1 395 395 SER CB C 395 62.319 62.319 62.961 -0.642 25829 2941 1 7 . 1 1 395 395 SER H H 395 7.437 7.437 8.072 -0.635 25829 2942 1 7 . 1 1 396 396 ALA N N 396 127.500 127.500 124.452 3.048 25829 2943 1 7 . 1 1 396 396 ALA HA H 396 3.974 3.974 2.011 1.963 25829 2944 1 7 . 1 1 396 396 ALA CA C 396 51.617 51.617 50.522 1.095 25829 2945 1 7 . 1 1 396 396 ALA CB C 396 15.670 15.670 17.152 -1.482 25829 2946 1 7 . 1 1 396 396 ALA H H 396 7.077 7.077 7.290 -0.213 25829 2947 1 7 . 1 1 397 397 THR N N 397 115.344 115.344 111.925 3.419 25829 2948 1 7 . 1 1 397 397 THR HA H 397 4.760 4.760 4.473 0.287 25829 2949 1 7 . 1 1 397 397 THR CA C 397 58.900 58.900 61.714 -2.814 25829 2950 1 7 . 1 1 397 397 THR CB C 397 70.600 70.600 70.628 -0.028 25829 2951 1 7 . 1 1 397 397 THR H H 397 7.802 7.802 7.502 0.300 25829 2952 1 7 . 1 1 398 398 LEU N N 398 122.107 122.107 125.427 -3.320 25829 2953 1 7 . 1 1 398 398 LEU HA H 398 4.402 4.402 4.062 0.340 25829 2954 1 7 . 1 1 398 398 LEU CA C 398 57.949 57.949 59.014 -1.065 25829 2955 1 7 . 1 1 398 398 LEU CB C 398 40.435 40.435 41.901 -1.466 25829 2956 1 7 . 1 1 398 398 LEU H H 398 8.686 8.686 9.165 -0.479 25829 2957 1 7 . 1 1 399 399 ASP N N 399 116.774 116.774 118.934 -2.160 25829 2958 1 7 . 1 1 399 399 ASP HA H 399 4.340 4.340 4.292 0.048 25829 2959 1 7 . 1 1 399 399 ASP CA C 399 57.209 57.209 57.800 -0.591 25829 2960 1 7 . 1 1 399 399 ASP CB C 399 39.800 39.800 40.598 -0.798 25829 2961 1 7 . 1 1 399 399 ASP H H 399 8.592 8.592 8.086 0.506 25829 2962 1 7 . 1 1 400 400 ALA N N 400 123.457 123.457 122.475 0.982 25829 2963 1 7 . 1 1 400 400 ALA HA H 400 4.265 4.265 4.341 -0.076 25829 2964 1 7 . 1 1 400 400 ALA CA C 400 54.429 54.429 54.800 -0.371 25829 2965 1 7 . 1 1 400 400 ALA CB C 400 17.800 17.800 18.801 -1.001 25829 2966 1 7 . 1 1 400 400 ALA H H 400 8.285 8.285 7.868 0.417 25829 2967 1 7 . 1 1 401 401 LEU N N 401 121.963 121.963 120.871 1.092 25829 2968 1 7 . 1 1 401 401 LEU HA H 401 3.774 3.774 3.878 -0.104 25829 2969 1 7 . 1 1 401 401 LEU CA C 401 57.306 57.306 58.002 -0.696 25829 2970 1 7 . 1 1 401 401 LEU CB C 401 40.560 40.560 42.224 -1.664 25829 2971 1 7 . 1 1 401 401 LEU H H 401 7.952 7.952 8.352 -0.400 25829 2972 1 7 . 1 1 402 402 LEU N N 402 117.440 117.440 118.035 -0.595 25829 2973 1 7 . 1 1 402 402 LEU HA H 402 3.837 3.837 3.899 -0.062 25829 2974 1 7 . 1 1 402 402 LEU CA C 402 57.400 57.400 57.925 -0.525 25829 2975 1 7 . 1 1 402 402 LEU CB C 402 39.700 39.700 41.375 -1.675 25829 2976 1 7 . 1 1 402 402 LEU H H 402 8.633 8.633 8.706 -0.073 25829 2977 1 7 . 1 1 403 403 ALA N N 403 119.971 119.971 121.361 -1.390 25829 2978 1 7 . 1 1 403 403 ALA HA H 403 3.993 3.993 3.981 0.012 25829 2979 1 7 . 1 1 403 403 ALA CA C 403 54.500 54.500 54.994 -0.494 25829 2980 1 7 . 1 1 403 403 ALA CB C 403 17.200 17.200 18.004 -0.804 25829 2981 1 7 . 1 1 403 403 ALA H H 403 8.132 8.132 7.587 0.545 25829 2982 1 7 . 1 1 404 404 ALA N N 404 121.297 121.297 121.445 -0.148 25829 2983 1 7 . 1 1 404 404 ALA HA H 404 3.815 3.815 3.999 -0.184 25829 2984 1 7 . 1 1 404 404 ALA CA C 404 54.800 54.800 54.649 0.151 25829 2985 1 7 . 1 1 404 404 ALA CB C 404 18.100 18.100 18.547 -0.447 25829 2986 1 7 . 1 1 404 404 ALA H H 404 7.610 7.610 7.656 -0.046 25829 2987 1 7 . 1 1 405 405 LEU N N 405 116.480 116.480 118.852 -2.372 25829 2988 1 7 . 1 1 405 405 LEU HA H 405 3.853 3.853 3.828 0.025 25829 2989 1 7 . 1 1 405 405 LEU CA C 405 56.591 56.591 58.087 -1.496 25829 2990 1 7 . 1 1 405 405 LEU CB C 405 41.000 41.000 41.645 -0.645 25829 2991 1 7 . 1 1 405 405 LEU H H 405 8.009 8.009 8.348 -0.339 25829 2992 1 7 . 1 1 406 406 ARG N N 406 118.300 118.300 118.796 -0.496 25829 2993 1 7 . 1 1 406 406 ARG HA H 406 3.804 3.804 4.062 -0.258 25829 2994 1 7 . 1 1 406 406 ARG CA C 406 59.650 59.650 58.943 0.707 25829 2995 1 7 . 1 1 406 406 ARG CB C 406 29.300 29.300 29.429 -0.129 25829 2996 1 7 . 1 1 406 406 ARG H H 406 7.983 7.983 7.827 0.156 25829 2997 1 7 . 1 1 407 407 ARG N N 407 120.307 120.307 118.945 1.362 25829 2998 1 7 . 1 1 407 407 ARG HA H 407 4.085 4.085 4.182 -0.097 25829 2999 1 7 . 1 1 407 407 ARG CA C 407 59.552 59.552 57.841 1.711 25829 3000 1 7 . 1 1 407 407 ARG CB C 407 29.700 29.700 29.603 0.097 25829 3001 1 7 . 1 1 407 407 ARG H H 407 7.916 7.916 7.512 0.404 25829 3002 1 7 . 1 1 408 408 ILE N N 408 110.637 110.637 112.604 -1.967 25829 3003 1 7 . 1 1 408 408 ILE HA H 408 4.530 4.530 4.391 0.139 25829 3004 1 7 . 1 1 408 408 ILE CA C 408 60.500 60.500 60.487 0.013 25829 3005 1 7 . 1 1 408 408 ILE CB C 408 36.148 36.148 37.219 -1.071 25829 3006 1 7 . 1 1 408 408 ILE H H 408 7.274 7.274 7.308 -0.034 25829 3007 1 7 . 1 1 409 409 GLN N N 409 113.647 113.647 116.071 -2.424 25829 3008 1 7 . 1 1 409 409 GLN HA H 409 3.962 3.962 3.964 -0.002 25829 3009 1 7 . 1 1 409 409 GLN CA C 409 56.289 56.289 57.242 -0.953 25829 3010 1 7 . 1 1 409 409 GLN CB C 409 24.550 24.550 26.048 -1.498 25829 3011 1 7 . 1 1 409 409 GLN H H 409 7.714 7.714 7.646 0.068 25829 3012 1 7 . 1 1 410 410 ARG N N 410 117.152 117.152 117.085 0.067 25829 3013 1 7 . 1 1 410 410 ARG HA H 410 5.039 5.039 4.786 0.253 25829 3014 1 7 . 1 1 410 410 ARG CA C 410 50.920 50.920 53.927 -3.007 25829 3015 1 7 . 1 1 410 410 ARG CB C 410 26.600 26.600 30.257 -3.657 25829 3016 1 7 . 1 1 410 410 ARG H H 410 8.029 8.029 8.212 -0.183 25829 3017 1 7 . 1 1 411 411 ALA N N 411 123.065 123.065 122.914 0.151 25829 3018 1 7 . 1 1 411 411 ALA HA H 411 3.854 3.854 3.896 -0.042 25829 3019 1 7 . 1 1 411 411 ALA CA C 411 54.287 54.287 55.567 -1.280 25829 3020 1 7 . 1 1 411 411 ALA CB C 411 17.691 17.691 18.502 -0.811 25829 3021 1 7 . 1 1 411 411 ALA H H 411 8.121 8.121 8.468 -0.347 25829 3022 1 7 . 1 1 412 412 ASP N N 412 116.575 116.575 117.659 -1.084 25829 3023 1 7 . 1 1 412 412 ASP HA H 412 4.251 4.251 4.305 -0.054 25829 3024 1 7 . 1 1 412 412 ASP CA C 412 55.566 55.566 56.747 -1.181 25829 3025 1 7 . 1 1 412 412 ASP CB C 412 38.000 38.000 39.528 -1.528 25829 3026 1 7 . 1 1 412 412 ASP H H 412 8.916 8.916 8.563 0.353 25829 3027 1 7 . 1 1 413 413 LEU N N 413 120.881 120.881 120.819 0.062 25829 3028 1 7 . 1 1 413 413 LEU HA H 413 4.134 4.134 4.044 0.090 25829 3029 1 7 . 1 1 413 413 LEU CA C 413 56.251 56.251 56.850 -0.599 25829 3030 1 7 . 1 1 413 413 LEU CB C 413 41.190 41.190 42.186 -0.996 25829 3031 1 7 . 1 1 413 413 LEU H H 413 7.497 7.497 7.692 -0.195 25829 3032 1 7 . 1 1 414 414 VAL N N 414 117.403 117.403 119.425 -2.022 25829 3033 1 7 . 1 1 414 414 VAL HA H 414 3.475 3.475 3.512 -0.037 25829 3034 1 7 . 1 1 414 414 VAL CA C 414 65.682 65.682 67.113 -1.431 25829 3035 1 7 . 1 1 414 414 VAL CB C 414 31.000 31.000 31.163 -0.163 25829 3036 1 7 . 1 1 414 414 VAL H H 414 7.158 7.158 8.494 -1.336 25829 3037 1 7 . 1 1 415 415 GLU N N 415 118.645 118.645 119.882 -1.237 25829 3038 1 7 . 1 1 415 415 GLU HA H 415 3.957 3.957 3.971 -0.014 25829 3039 1 7 . 1 1 415 415 GLU CA C 415 58.698 58.698 59.420 -0.723 25829 3040 1 7 . 1 1 415 415 GLU CB C 415 28.535 28.535 29.033 -0.498 25829 3041 1 7 . 1 1 415 415 GLU H H 415 8.023 8.023 7.944 0.079 25829 3042 1 7 . 1 1 416 416 SER N N 416 113.570 113.570 115.245 -1.675 25829 3043 1 7 . 1 1 416 416 SER HA H 416 4.230 4.230 4.209 0.021 25829 3044 1 7 . 1 1 416 416 SER CA C 416 60.774 60.774 61.603 -0.830 25829 3045 1 7 . 1 1 416 416 SER CB C 416 62.641 62.641 63.281 -0.640 25829 3046 1 7 . 1 1 416 416 SER H H 416 7.668 7.668 7.546 0.122 25829 3047 1 7 . 1 1 417 417 LEU N N 417 120.278 120.278 120.418 -0.140 25829 3048 1 7 . 1 1 417 417 LEU HA H 417 4.220 4.220 4.261 -0.041 25829 3049 1 7 . 1 1 417 417 LEU CA C 417 55.974 55.974 57.105 -1.131 25829 3050 1 7 . 1 1 417 417 LEU CB C 417 42.477 42.477 42.307 0.170 25829 3051 1 7 . 1 1 417 417 LEU H H 417 7.727 7.727 7.747 -0.020 25829 3052 1 7 . 1 1 418 418 CYS N N 418 116.200 116.200 120.113 -3.913 25829 3053 1 7 . 1 1 418 418 CYS HA H 418 4.490 4.490 4.029 0.461 25829 3054 1 7 . 1 1 418 418 CYS CA C 418 59.010 59.010 62.718 -3.708 25829 3055 1 7 . 1 1 418 418 CYS CB C 418 27.300 27.300 26.746 0.554 25829 3056 1 7 . 1 1 418 418 CYS H H 418 7.855 7.855 9.025 -1.170 25829 3057 1 7 . 1 1 419 419 SER N N 419 116.680 116.680 116.029 0.651 25829 3058 1 7 . 1 1 419 419 SER HA H 419 4.402 4.402 4.063 0.339 25829 3059 1 7 . 1 1 419 419 SER CA C 419 58.284 58.284 61.931 -3.647 25829 3060 1 7 . 1 1 419 419 SER CB C 419 63.179 63.179 62.913 0.266 25829 3061 1 7 . 1 1 419 419 SER H H 419 7.813 7.813 8.170 -0.357 25829 3062 1 7 . 1 1 420 420 GLU N N 420 122.629 122.629 119.193 3.436 25829 3063 1 7 . 1 1 420 420 GLU HA H 420 4.338 4.338 4.368 -0.030 25829 3064 1 7 . 1 1 420 420 GLU CA C 420 56.021 56.021 57.131 -1.110 25829 3065 1 7 . 1 1 420 420 GLU CB C 420 29.569 29.569 29.867 -0.298 25829 3066 1 7 . 1 1 420 420 GLU H H 420 8.456 8.456 7.580 0.876 25829 3067 1 7 . 1 1 421 421 SER N N 421 116.600 116.600 114.115 2.485 25829 3068 1 7 . 1 1 421 421 SER HA H 421 4.470 4.470 4.259 0.211 25829 3069 1 7 . 1 1 421 421 SER CA C 421 57.800 57.800 60.572 -2.772 25829 3070 1 7 . 1 1 421 421 SER CB C 421 63.180 63.180 63.496 -0.316 25829 3071 1 7 . 1 1 421 421 SER H H 421 8.321 8.321 7.722 0.599 25829 3072 1 7 . 1 1 422 422 THR N N 422 115.756 115.756 117.781 -2.025 25829 3073 1 7 . 1 1 422 422 THR HA H 422 4.331 4.331 4.457 -0.126 25829 3074 1 7 . 1 1 422 422 THR CA C 422 61.100 61.100 61.809 -0.709 25829 3075 1 7 . 1 1 422 422 THR CB C 422 69.000 69.000 69.542 -0.542 25829 3076 1 7 . 1 1 422 422 THR H H 422 8.144 8.144 7.911 0.233 25829 3077 1 7 . 1 1 423 423 ALA N N 423 126.280 126.280 128.261 -1.981 25829 3078 1 7 . 1 1 423 423 ALA HA H 423 4.369 4.369 4.321 0.048 25829 3079 1 7 . 1 1 423 423 ALA CA C 423 52.060 52.060 52.509 -0.449 25829 3080 1 7 . 1 1 423 423 ALA CB C 423 18.600 18.600 19.724 -1.124 25829 3081 1 7 . 1 1 423 423 ALA H H 423 8.233 8.233 8.395 -0.162 25829 3082 1 7 . 1 1 424 424 THR N N 424 113.047 113.047 111.700 1.347 25829 3083 1 7 . 1 1 424 424 THR HA H 424 4.316 4.316 4.284 0.032 25829 3084 1 7 . 1 1 424 424 THR CA C 424 60.990 60.990 61.926 -0.936 25829 3085 1 7 . 1 1 424 424 THR CB C 424 69.200 69.200 69.885 -0.685 25829 3086 1 7 . 1 1 424 424 THR H H 424 8.061 8.061 8.309 -0.248 25829 3087 1 7 . 1 1 425 425 SER N N 425 119.479 119.479 118.230 1.249 25829 3088 1 7 . 1 1 425 425 SER HA H 425 4.755 4.755 4.311 0.444 25829 3089 1 7 . 1 1 425 425 SER CA C 425 55.720 55.720 58.093 -2.373 25829 3090 1 7 . 1 1 425 425 SER CB C 425 62.800 62.800 62.986 -0.186 25829 3091 1 7 . 1 1 425 425 SER H H 425 8.215 8.215 8.356 -0.141 25829 3092 1 7 . 1 1 426 426 PRO HA H 426 4.461 4.461 4.442 0.019 25829 3093 1 7 . 1 1 426 426 PRO CA C 426 62.851 62.851 62.956 -0.105 25829 3094 1 7 . 1 1 426 426 PRO CB C 426 31.308 31.308 30.683 0.625 25829 3095 1 8 . 1 1 335 335 LEU N N 335 120.860 120.860 120.923 -0.063 25829 3096 1 8 . 1 1 335 335 LEU HA H 335 4.203 4.203 4.384 -0.181 25829 3097 1 8 . 1 1 335 335 LEU CA C 335 54.890 54.890 55.022 -0.132 25829 3098 1 8 . 1 1 335 335 LEU CB C 335 40.860 40.860 43.079 -2.219 25829 3099 1 8 . 1 1 335 335 LEU H H 335 8.289 8.289 8.338 -0.049 25829 3100 1 8 . 1 1 336 336 TYR N N 336 127.150 127.150 125.418 1.732 25829 3101 1 8 . 1 1 336 336 TYR HA H 336 4.042 4.042 4.173 -0.131 25829 3102 1 8 . 1 1 336 336 TYR CA C 336 61.360 61.360 61.527 -0.167 25829 3103 1 8 . 1 1 336 336 TYR CB C 336 38.768 38.768 38.947 -0.179 25829 3104 1 8 . 1 1 336 336 TYR H H 336 9.027 9.027 9.187 -0.160 25829 3105 1 8 . 1 1 337 337 SER N N 337 111.560 111.560 112.134 -0.574 25829 3106 1 8 . 1 1 337 337 SER HA H 337 3.926 3.926 4.175 -0.249 25829 3107 1 8 . 1 1 337 337 SER CA C 337 59.251 59.251 60.474 -1.223 25829 3108 1 8 . 1 1 337 337 SER CB C 337 62.235 62.235 62.888 -0.653 25829 3109 1 8 . 1 1 337 337 SER H H 337 9.318 9.318 8.547 0.771 25829 3110 1 8 . 1 1 338 338 SER N N 338 115.800 115.800 115.491 0.309 25829 3111 1 8 . 1 1 338 338 SER HA H 338 4.465 4.465 4.318 0.147 25829 3112 1 8 . 1 1 338 338 SER CA C 338 58.120 58.120 58.969 -0.849 25829 3113 1 8 . 1 1 338 338 SER CB C 338 63.663 63.663 63.626 0.037 25829 3114 1 8 . 1 1 338 338 SER H H 338 7.459 7.459 7.583 -0.124 25829 3115 1 8 . 1 1 339 339 LEU N N 339 123.972 123.972 123.052 0.920 25829 3116 1 8 . 1 1 339 339 LEU HA H 339 4.366 4.366 4.351 0.015 25829 3117 1 8 . 1 1 339 339 LEU CA C 339 52.936 52.936 53.449 -0.513 25829 3118 1 8 . 1 1 339 339 LEU CB C 339 40.889 40.889 41.178 -0.289 25829 3119 1 8 . 1 1 339 339 LEU H H 339 7.520 7.520 7.196 0.324 25829 3120 1 8 . 1 1 340 340 PRO HA H 340 4.723 4.723 4.660 0.063 25829 3121 1 8 . 1 1 340 340 PRO CA C 340 60.800 60.800 61.484 -0.684 25829 3122 1 8 . 1 1 340 340 PRO CB C 340 27.300 27.300 30.968 -3.668 25829 3123 1 8 . 1 1 341 341 PRO HA H 341 3.971 3.971 4.198 -0.227 25829 3124 1 8 . 1 1 341 341 PRO CA C 341 65.204 65.204 65.589 -0.385 25829 3125 1 8 . 1 1 341 341 PRO CB C 341 31.100 31.100 31.510 -0.410 25829 3126 1 8 . 1 1 342 342 ALA N N 342 117.460 117.460 120.806 -3.346 25829 3127 1 8 . 1 1 342 342 ALA HA H 342 4.125 4.125 4.126 -0.001 25829 3128 1 8 . 1 1 342 342 ALA CA C 342 54.529 54.529 55.054 -0.525 25829 3129 1 8 . 1 1 342 342 ALA CB C 342 17.700 17.700 18.158 -0.458 25829 3130 1 8 . 1 1 342 342 ALA H H 342 8.625 8.625 8.485 0.140 25829 3131 1 8 . 1 1 343 343 LYS N N 343 117.364 117.364 118.439 -1.075 25829 3132 1 8 . 1 1 343 343 LYS HA H 343 4.295 4.295 4.030 0.265 25829 3133 1 8 . 1 1 343 343 LYS CA C 343 56.167 56.167 58.984 -2.817 25829 3134 1 8 . 1 1 343 343 LYS CB C 343 30.889 30.889 32.030 -1.141 25829 3135 1 8 . 1 1 343 343 LYS H H 343 7.254 7.254 7.637 -0.383 25829 3136 1 8 . 1 1 344 344 ARG N N 344 118.680 118.680 118.718 -0.038 25829 3137 1 8 . 1 1 344 344 ARG HA H 344 3.850 3.850 4.233 -0.383 25829 3138 1 8 . 1 1 344 344 ARG CA C 344 59.660 59.660 59.325 0.335 25829 3139 1 8 . 1 1 344 344 ARG CB C 344 29.300 29.300 30.133 -0.833 25829 3140 1 8 . 1 1 344 344 ARG H H 344 7.410 7.410 7.611 -0.201 25829 3141 1 8 . 1 1 345 345 GLU N N 345 118.035 118.035 119.039 -1.004 25829 3142 1 8 . 1 1 345 345 GLU HA H 345 3.926 3.926 4.288 -0.362 25829 3143 1 8 . 1 1 345 345 GLU CA C 345 58.720 58.720 59.514 -0.794 25829 3144 1 8 . 1 1 345 345 GLU CB C 345 28.600 28.600 29.320 -0.720 25829 3145 1 8 . 1 1 345 345 GLU H H 345 8.267 8.267 7.890 0.377 25829 3146 1 8 . 1 1 346 346 GLU N N 346 119.810 119.810 120.085 -0.275 25829 3147 1 8 . 1 1 346 346 GLU HA H 346 3.950 3.950 4.080 -0.130 25829 3148 1 8 . 1 1 346 346 GLU CA C 346 59.000 59.000 59.221 -0.221 25829 3149 1 8 . 1 1 346 346 GLU CB C 346 29.113 29.113 29.161 -0.048 25829 3150 1 8 . 1 1 346 346 GLU H H 346 7.444 7.444 7.935 -0.491 25829 3151 1 8 . 1 1 347 347 VAL N N 347 119.540 119.540 117.567 1.973 25829 3152 1 8 . 1 1 347 347 VAL HA H 347 3.470 3.470 3.756 -0.286 25829 3153 1 8 . 1 1 347 347 VAL CA C 347 66.267 66.267 66.895 -0.628 25829 3154 1 8 . 1 1 347 347 VAL CB C 347 30.800 30.800 31.112 -0.312 25829 3155 1 8 . 1 1 347 347 VAL H H 347 7.938 7.938 8.142 -0.204 25829 3156 1 8 . 1 1 348 348 GLU N N 348 118.250 118.250 119.207 -0.957 25829 3157 1 8 . 1 1 348 348 GLU HA H 348 3.513 3.513 4.145 -0.632 25829 3158 1 8 . 1 1 348 348 GLU CA C 348 59.609 59.609 59.436 0.173 25829 3159 1 8 . 1 1 348 348 GLU CB C 348 28.620 28.620 29.444 -0.824 25829 3160 1 8 . 1 1 348 348 GLU H H 348 8.094 8.094 7.602 0.492 25829 3161 1 8 . 1 1 349 349 LYS N N 349 118.860 118.860 119.940 -1.080 25829 3162 1 8 . 1 1 349 349 LYS HA H 349 3.948 3.948 4.052 -0.104 25829 3163 1 8 . 1 1 349 349 LYS CA C 349 59.000 59.000 59.735 -0.735 25829 3164 1 8 . 1 1 349 349 LYS CB C 349 31.809 31.809 32.635 -0.825 25829 3165 1 8 . 1 1 349 349 LYS H H 349 8.319 8.319 8.166 0.153 25829 3166 1 8 . 1 1 350 350 LEU N N 350 120.820 120.820 118.830 1.990 25829 3167 1 8 . 1 1 350 350 LEU HA H 350 4.050 4.050 4.157 -0.107 25829 3168 1 8 . 1 1 350 350 LEU CA C 350 56.954 56.954 57.674 -0.720 25829 3169 1 8 . 1 1 350 350 LEU CB C 350 41.300 41.300 42.002 -0.702 25829 3170 1 8 . 1 1 350 350 LEU H H 350 8.020 8.020 8.267 -0.247 25829 3171 1 8 . 1 1 351 351 LEU N N 351 117.800 117.800 119.260 -1.460 25829 3172 1 8 . 1 1 351 351 LEU HA H 351 4.020 4.020 4.002 0.018 25829 3173 1 8 . 1 1 351 351 LEU CA C 351 56.700 56.700 57.124 -0.424 25829 3174 1 8 . 1 1 351 351 LEU CB C 351 41.470 41.470 41.360 0.110 25829 3175 1 8 . 1 1 351 351 LEU H H 351 8.205 8.205 7.578 0.627 25829 3176 1 8 . 1 1 352 352 ASN N N 352 118.847 118.847 118.456 0.391 25829 3177 1 8 . 1 1 352 352 ASN HA H 352 4.487 4.487 4.471 0.016 25829 3178 1 8 . 1 1 352 352 ASN CA C 352 54.980 54.980 55.951 -0.971 25829 3179 1 8 . 1 1 352 352 ASN CB C 352 38.660 38.660 38.399 0.261 25829 3180 1 8 . 1 1 352 352 ASN H H 352 8.613 8.613 7.955 0.658 25829 3181 1 8 . 1 1 353 353 GLY N N 353 104.836 104.836 105.258 -0.422 25829 3182 1 8 . 1 1 353 353 GLY CA C 353 45.100 45.100 45.231 -0.131 25829 3183 1 8 . 1 1 353 353 GLY H H 353 7.803 7.803 7.879 -0.076 25829 3184 1 8 . 1 1 354 354 SER N N 354 115.370 115.370 115.219 0.151 25829 3185 1 8 . 1 1 354 354 SER HA H 354 4.530 4.530 4.436 0.094 25829 3186 1 8 . 1 1 354 354 SER CA C 354 58.317 58.317 59.014 -0.697 25829 3187 1 8 . 1 1 354 354 SER CB C 354 63.678 63.678 63.977 -0.299 25829 3188 1 8 . 1 1 354 354 SER H H 354 7.567 7.567 7.810 -0.243 25829 3189 1 8 . 1 1 355 355 ALA N N 355 124.206 124.206 118.499 5.707 25829 3190 1 8 . 1 1 355 355 ALA HA H 355 4.455 4.455 4.360 0.095 25829 3191 1 8 . 1 1 355 355 ALA CA C 355 51.960 51.960 52.690 -0.730 25829 3192 1 8 . 1 1 355 355 ALA CB C 355 18.545 18.545 19.089 -0.544 25829 3193 1 8 . 1 1 355 355 ALA H H 355 8.334 8.334 7.457 0.877 25829 3194 1 8 . 1 1 356 356 GLY N N 356 108.886 108.886 107.545 1.341 25829 3195 1 8 . 1 1 356 356 GLY CA C 356 46.340 46.340 45.189 1.151 25829 3196 1 8 . 1 1 356 356 GLY H H 356 8.613 8.613 8.731 -0.118 25829 3197 1 8 . 1 1 357 357 ASP N N 357 119.161 119.161 117.478 1.683 25829 3198 1 8 . 1 1 357 357 ASP HA H 357 4.490 4.490 4.537 -0.047 25829 3199 1 8 . 1 1 357 357 ASP CA C 357 53.700 53.700 53.776 -0.076 25829 3200 1 8 . 1 1 357 357 ASP CB C 357 39.418 39.418 40.570 -1.152 25829 3201 1 8 . 1 1 357 357 ASP H H 357 8.534 8.534 8.001 0.533 25829 3202 1 8 . 1 1 358 358 THR N N 358 116.000 116.000 117.039 -1.039 25829 3203 1 8 . 1 1 358 358 THR HA H 358 3.855 3.855 3.689 0.166 25829 3204 1 8 . 1 1 358 358 THR CA C 358 66.123 66.123 67.721 -1.598 25829 3205 1 8 . 1 1 358 358 THR CB C 358 67.860 67.860 68.438 -0.578 25829 3206 1 8 . 1 1 358 358 THR H H 358 7.864 7.864 8.365 -0.501 25829 3207 1 8 . 1 1 359 359 TRP N N 359 118.670 118.670 120.018 -1.348 25829 3208 1 8 . 1 1 359 359 TRP HA H 359 3.930 3.930 4.190 -0.260 25829 3209 1 8 . 1 1 359 359 TRP CA C 359 59.500 59.500 58.855 0.645 25829 3210 1 8 . 1 1 359 359 TRP CB C 359 26.859 26.859 27.720 -0.861 25829 3211 1 8 . 1 1 359 359 TRP H H 359 8.287 8.287 8.129 0.158 25829 3212 1 8 . 1 1 360 360 ARG N N 360 122.263 122.263 120.251 2.012 25829 3213 1 8 . 1 1 360 360 ARG HA H 360 2.995 2.995 3.060 -0.065 25829 3214 1 8 . 1 1 360 360 ARG CA C 360 58.797 58.797 58.944 -0.147 25829 3215 1 8 . 1 1 360 360 ARG CB C 360 28.650 28.650 29.292 -0.642 25829 3216 1 8 . 1 1 360 360 ARG H H 360 6.341 6.341 6.723 -0.382 25829 3217 1 8 . 1 1 361 361 HIS N N 361 120.604 120.604 118.326 2.278 25829 3218 1 8 . 1 1 361 361 HIS HA H 361 4.379 4.379 4.260 0.119 25829 3219 1 8 . 1 1 361 361 HIS CA C 361 57.124 57.124 58.587 -1.463 25829 3220 1 8 . 1 1 361 361 HIS CB C 361 29.551 29.551 29.999 -0.448 25829 3221 1 8 . 1 1 361 361 HIS H H 361 7.370 7.370 7.500 -0.130 25829 3222 1 8 . 1 1 362 362 LEU N N 362 120.734 120.734 120.359 0.375 25829 3223 1 8 . 1 1 362 362 LEU HA H 362 3.750 3.750 3.858 -0.108 25829 3224 1 8 . 1 1 362 362 LEU CA C 362 57.153 57.153 57.779 -0.626 25829 3225 1 8 . 1 1 362 362 LEU CB C 362 40.886 40.886 41.658 -0.772 25829 3226 1 8 . 1 1 362 362 LEU H H 362 8.365 8.365 7.940 0.425 25829 3227 1 8 . 1 1 363 363 ALA N N 363 118.919 118.919 120.824 -1.905 25829 3228 1 8 . 1 1 363 363 ALA HA H 363 3.824 3.824 3.888 -0.064 25829 3229 1 8 . 1 1 363 363 ALA CA C 363 54.910 54.910 55.471 -0.561 25829 3230 1 8 . 1 1 363 363 ALA CB C 363 18.000 18.000 17.883 0.117 25829 3231 1 8 . 1 1 363 363 ALA H H 363 8.384 8.384 8.519 -0.135 25829 3232 1 8 . 1 1 364 364 GLY N N 364 103.970 103.970 106.085 -2.115 25829 3233 1 8 . 1 1 364 364 GLY CA C 364 46.452 46.452 47.072 -0.620 25829 3234 1 8 . 1 1 364 364 GLY H H 364 7.679 7.679 7.701 -0.022 25829 3235 1 8 . 1 1 365 365 GLU N N 365 122.387 122.387 120.033 2.354 25829 3236 1 8 . 1 1 365 365 GLU HA H 365 4.250 4.250 4.233 0.017 25829 3237 1 8 . 1 1 365 365 GLU CA C 365 57.100 57.100 57.747 -0.647 25829 3238 1 8 . 1 1 365 365 GLU CB C 365 29.043 29.043 29.376 -0.333 25829 3239 1 8 . 1 1 365 365 GLU H H 365 7.724 7.724 7.602 0.122 25829 3240 1 8 . 1 1 366 366 LEU N N 366 117.748 117.748 117.468 0.280 25829 3241 1 8 . 1 1 366 366 LEU HA H 366 4.329 4.329 4.307 0.022 25829 3242 1 8 . 1 1 366 366 LEU CA C 366 53.898 53.898 55.132 -1.234 25829 3243 1 8 . 1 1 366 366 LEU CB C 366 40.569 40.569 42.090 -1.521 25829 3244 1 8 . 1 1 366 366 LEU H H 366 7.813 7.813 8.205 -0.392 25829 3245 1 8 . 1 1 367 367 GLY N N 367 105.744 105.744 106.052 -0.308 25829 3246 1 8 . 1 1 367 367 GLY CA C 367 44.900 44.900 45.157 -0.257 25829 3247 1 8 . 1 1 367 367 GLY H H 367 7.636 7.636 7.386 0.250 25829 3248 1 8 . 1 1 368 368 TYR N N 368 119.550 119.550 120.649 -1.099 25829 3249 1 8 . 1 1 368 368 TYR HA H 368 4.450 4.450 4.385 0.065 25829 3250 1 8 . 1 1 368 368 TYR CA C 368 58.960 58.960 59.701 -0.741 25829 3251 1 8 . 1 1 368 368 TYR CB C 368 37.990 37.990 39.067 -1.077 25829 3252 1 8 . 1 1 368 368 TYR H H 368 7.958 7.958 7.999 -0.041 25829 3253 1 8 . 1 1 369 369 GLN N N 369 123.108 123.108 123.525 -0.417 25829 3254 1 8 . 1 1 369 369 GLN HA H 369 4.600 4.600 4.389 0.211 25829 3255 1 8 . 1 1 369 369 GLN CA C 369 53.400 53.400 55.252 -1.852 25829 3256 1 8 . 1 1 369 369 GLN CB C 369 27.110 27.110 28.404 -1.294 25829 3257 1 8 . 1 1 369 369 GLN H H 369 9.767 9.767 8.776 0.991 25829 3258 1 8 . 1 1 370 370 PRO HA H 370 4.057 4.057 4.267 -0.210 25829 3259 1 8 . 1 1 370 370 PRO CA C 370 66.262 66.262 65.602 0.660 25829 3260 1 8 . 1 1 370 370 PRO CB C 370 31.384 31.384 31.816 -0.432 25829 3261 1 8 . 1 1 371 371 GLU N N 371 116.204 116.204 117.333 -1.129 25829 3262 1 8 . 1 1 371 371 GLU HA H 371 4.111 4.111 4.075 0.036 25829 3263 1 8 . 1 1 371 371 GLU CA C 371 58.661 58.661 59.155 -0.494 25829 3264 1 8 . 1 1 371 371 GLU CB C 371 27.741 27.741 28.455 -0.714 25829 3265 1 8 . 1 1 371 371 GLU H H 371 9.493 9.493 9.063 0.430 25829 3266 1 8 . 1 1 372 372 HIS N N 372 120.310 120.310 119.499 0.811 25829 3267 1 8 . 1 1 372 372 HIS HA H 372 4.425 4.425 4.366 0.059 25829 3268 1 8 . 1 1 372 372 HIS CA C 372 57.070 57.070 57.969 -0.899 25829 3269 1 8 . 1 1 372 372 HIS CB C 372 31.818 31.818 30.182 1.636 25829 3270 1 8 . 1 1 372 372 HIS H H 372 7.424 7.424 7.552 -0.128 25829 3271 1 8 . 1 1 373 373 ILE N N 373 120.390 120.390 121.008 -0.618 25829 3272 1 8 . 1 1 373 373 ILE HA H 373 3.708 3.708 4.070 -0.362 25829 3273 1 8 . 1 1 373 373 ILE CA C 373 65.480 65.480 66.002 -0.522 25829 3274 1 8 . 1 1 373 373 ILE CB C 373 37.329 37.329 37.800 -0.471 25829 3275 1 8 . 1 1 373 373 ILE H H 373 7.950 7.950 7.773 0.177 25829 3276 1 8 . 1 1 374 374 ASP N N 374 117.990 117.990 120.201 -2.211 25829 3277 1 8 . 1 1 374 374 ASP HA H 374 4.508 4.508 4.481 0.027 25829 3278 1 8 . 1 1 374 374 ASP CA C 374 56.504 56.504 57.925 -1.421 25829 3279 1 8 . 1 1 374 374 ASP CB C 374 40.175 40.175 40.578 -0.403 25829 3280 1 8 . 1 1 374 374 ASP H H 374 8.142 8.142 8.069 0.073 25829 3281 1 8 . 1 1 375 375 SER N N 375 115.373 115.373 115.507 -0.134 25829 3282 1 8 . 1 1 375 375 SER HA H 375 4.207 4.207 4.216 -0.009 25829 3283 1 8 . 1 1 375 375 SER CA C 375 60.962 60.962 60.783 0.179 25829 3284 1 8 . 1 1 375 375 SER CB C 375 61.999 61.999 63.424 -1.425 25829 3285 1 8 . 1 1 375 375 SER H H 375 7.485 7.485 7.753 -0.268 25829 3286 1 8 . 1 1 376 376 PHE N N 376 120.335 120.335 120.001 0.334 25829 3287 1 8 . 1 1 376 376 PHE HA H 376 4.503 4.503 4.275 0.228 25829 3288 1 8 . 1 1 376 376 PHE CA C 376 58.170 58.170 60.664 -2.494 25829 3289 1 8 . 1 1 376 376 PHE CB C 376 37.729 37.729 38.998 -1.269 25829 3290 1 8 . 1 1 376 376 PHE H H 376 7.787 7.787 8.522 -0.735 25829 3291 1 8 . 1 1 377 377 THR N N 377 110.175 110.175 114.631 -4.456 25829 3292 1 8 . 1 1 377 377 THR HA H 377 3.908 3.908 4.324 -0.416 25829 3293 1 8 . 1 1 377 377 THR CA C 377 64.888 64.888 65.410 -0.522 25829 3294 1 8 . 1 1 377 377 THR CB C 377 68.990 68.990 68.984 0.006 25829 3295 1 8 . 1 1 377 377 THR H H 377 7.777 7.777 8.577 -0.800 25829 3296 1 8 . 1 1 378 378 HIS N N 378 116.164 116.164 118.162 -1.998 25829 3297 1 8 . 1 1 378 378 HIS HA H 378 4.630 4.630 4.559 0.071 25829 3298 1 8 . 1 1 378 378 HIS CA C 378 55.189 55.189 57.453 -2.264 25829 3299 1 8 . 1 1 378 378 HIS CB C 378 28.700 28.700 30.212 -1.512 25829 3300 1 8 . 1 1 378 378 HIS H H 378 7.473 7.473 8.081 -0.608 25829 3301 1 8 . 1 1 379 379 GLU N N 379 119.465 119.465 119.402 0.063 25829 3302 1 8 . 1 1 379 379 GLU HA H 379 4.194 4.194 4.398 -0.204 25829 3303 1 8 . 1 1 379 379 GLU CA C 379 54.632 54.632 55.205 -0.573 25829 3304 1 8 . 1 1 379 379 GLU CB C 379 29.247 29.247 30.876 -1.629 25829 3305 1 8 . 1 1 379 379 GLU H H 379 7.229 7.229 7.775 -0.546 25829 3306 1 8 . 1 1 380 380 ALA N N 380 123.121 123.121 126.895 -3.774 25829 3307 1 8 . 1 1 380 380 ALA HA H 380 3.983 3.983 4.275 -0.292 25829 3308 1 8 . 1 1 380 380 ALA CA C 380 54.134 54.134 53.400 0.734 25829 3309 1 8 . 1 1 380 380 ALA CB C 380 17.480 17.480 19.374 -1.894 25829 3310 1 8 . 1 1 380 380 ALA H H 380 8.624 8.624 8.461 0.163 25829 3311 1 8 . 1 1 381 381 CYS N N 381 114.618 114.618 117.372 -2.754 25829 3312 1 8 . 1 1 381 381 CYS HA H 381 4.650 4.650 4.794 -0.144 25829 3313 1 8 . 1 1 381 381 CYS CA C 381 54.700 54.700 56.180 -1.480 25829 3314 1 8 . 1 1 381 381 CYS CB C 381 26.580 26.580 28.811 -2.231 25829 3315 1 8 . 1 1 381 381 CYS H H 381 7.962 7.962 7.742 0.220 25829 3316 1 8 . 1 1 382 382 PRO HA H 382 3.530 3.530 4.115 -0.585 25829 3317 1 8 . 1 1 382 382 PRO CA C 382 65.150 65.150 65.200 -0.050 25829 3318 1 8 . 1 1 382 382 PRO CB C 382 30.400 30.400 31.121 -0.721 25829 3319 1 8 . 1 1 383 383 VAL N N 383 114.288 114.288 119.516 -5.228 25829 3320 1 8 . 1 1 383 383 VAL HA H 383 3.250 3.250 3.516 -0.266 25829 3321 1 8 . 1 1 383 383 VAL CA C 383 65.300 65.300 65.516 -0.216 25829 3322 1 8 . 1 1 383 383 VAL CB C 383 30.489 30.489 31.496 -1.007 25829 3323 1 8 . 1 1 383 383 VAL H H 383 7.935 7.935 7.674 0.261 25829 3324 1 8 . 1 1 384 384 ARG N N 384 120.700 120.700 119.524 1.176 25829 3325 1 8 . 1 1 384 384 ARG HA H 384 3.782 3.782 4.104 -0.322 25829 3326 1 8 . 1 1 384 384 ARG CA C 384 58.700 58.700 59.398 -0.698 25829 3327 1 8 . 1 1 384 384 ARG CB C 384 29.545 29.545 29.752 -0.207 25829 3328 1 8 . 1 1 384 384 ARG H H 384 7.253 7.253 7.517 -0.264 25829 3329 1 8 . 1 1 385 385 ALA N N 385 121.849 121.849 122.548 -0.699 25829 3330 1 8 . 1 1 385 385 ALA HA H 385 4.010 4.010 4.156 -0.146 25829 3331 1 8 . 1 1 385 385 ALA CA C 385 54.015 54.015 54.818 -0.803 25829 3332 1 8 . 1 1 385 385 ALA CB C 385 17.600 17.600 18.171 -0.571 25829 3333 1 8 . 1 1 385 385 ALA H H 385 7.371 7.371 7.458 -0.087 25829 3334 1 8 . 1 1 386 386 LEU N N 386 120.978 120.978 120.332 0.646 25829 3335 1 8 . 1 1 386 386 LEU HA H 386 2.817 2.817 3.617 -0.800 25829 3336 1 8 . 1 1 386 386 LEU CA C 386 56.800 56.800 57.729 -0.929 25829 3337 1 8 . 1 1 386 386 LEU CB C 386 40.600 40.600 41.760 -1.160 25829 3338 1 8 . 1 1 386 386 LEU H H 386 7.999 7.999 8.257 -0.258 25829 3339 1 8 . 1 1 387 387 LEU N N 387 117.377 117.377 118.168 -0.791 25829 3340 1 8 . 1 1 387 387 LEU HA H 387 4.040 4.040 3.926 0.114 25829 3341 1 8 . 1 1 387 387 LEU CA C 387 57.390 57.390 57.876 -0.486 25829 3342 1 8 . 1 1 387 387 LEU CB C 387 40.200 40.200 41.294 -1.094 25829 3343 1 8 . 1 1 387 387 LEU H H 387 7.973 7.973 7.722 0.251 25829 3344 1 8 . 1 1 388 388 ALA N N 388 120.700 120.700 122.205 -1.505 25829 3345 1 8 . 1 1 388 388 ALA HA H 388 4.110 4.110 4.034 0.076 25829 3346 1 8 . 1 1 388 388 ALA CA C 388 54.162 54.162 55.193 -1.031 25829 3347 1 8 . 1 1 388 388 ALA CB C 388 17.437 17.437 18.164 -0.727 25829 3348 1 8 . 1 1 388 388 ALA H H 388 8.086 8.086 7.982 0.104 25829 3349 1 8 . 1 1 389 389 SER N N 389 111.963 111.963 113.708 -1.745 25829 3350 1 8 . 1 1 389 389 SER HA H 389 4.386 4.386 4.386 0.000 25829 3351 1 8 . 1 1 389 389 SER CA C 389 59.878 59.878 60.746 -0.868 25829 3352 1 8 . 1 1 389 389 SER CB C 389 62.639 62.639 63.520 -0.881 25829 3353 1 8 . 1 1 389 389 SER H H 389 7.446 7.446 8.220 -0.774 25829 3354 1 8 . 1 1 390 390 TRP N N 390 125.600 125.600 123.923 1.677 25829 3355 1 8 . 1 1 390 390 TRP HA H 390 4.319 4.319 4.630 -0.311 25829 3356 1 8 . 1 1 390 390 TRP CA C 390 60.946 60.946 60.643 0.303 25829 3357 1 8 . 1 1 390 390 TRP CB C 390 27.482 27.482 29.767 -2.285 25829 3358 1 8 . 1 1 390 390 TRP H H 390 9.032 9.032 8.597 0.435 25829 3359 1 8 . 1 1 391 391 ALA N N 391 114.481 114.481 120.726 -6.245 25829 3360 1 8 . 1 1 391 391 ALA HA H 391 3.583 3.583 4.047 -0.464 25829 3361 1 8 . 1 1 391 391 ALA CA C 391 52.859 52.859 54.431 -1.572 25829 3362 1 8 . 1 1 391 391 ALA CB C 391 18.590 18.590 18.423 0.167 25829 3363 1 8 . 1 1 391 391 ALA H H 391 8.312 8.312 8.128 0.184 25829 3364 1 8 . 1 1 392 392 THR N N 392 106.369 106.369 108.047 -1.678 25829 3365 1 8 . 1 1 392 392 THR HA H 392 4.196 4.196 4.114 0.082 25829 3366 1 8 . 1 1 392 392 THR CA C 392 62.128 62.128 63.538 -1.411 25829 3367 1 8 . 1 1 392 392 THR CB C 392 69.100 69.100 68.627 0.473 25829 3368 1 8 . 1 1 392 392 THR H H 392 7.238 7.238 7.775 -0.537 25829 3369 1 8 . 1 1 393 393 GLN N N 393 121.193 121.193 120.638 0.555 25829 3370 1 8 . 1 1 393 393 GLN HA H 393 4.295 4.295 4.609 -0.314 25829 3371 1 8 . 1 1 393 393 GLN CA C 393 54.971 54.971 54.569 0.402 25829 3372 1 8 . 1 1 393 393 GLN CB C 393 29.130 29.130 31.801 -2.671 25829 3373 1 8 . 1 1 393 393 GLN H H 393 7.701 7.701 7.502 0.199 25829 3374 1 8 . 1 1 394 394 ASP N N 394 121.430 121.430 122.940 -1.510 25829 3375 1 8 . 1 1 394 394 ASP HA H 394 4.260 4.260 4.369 -0.109 25829 3376 1 8 . 1 1 394 394 ASP CA C 394 55.700 55.700 56.080 -0.380 25829 3377 1 8 . 1 1 394 394 ASP CB C 394 39.700 39.700 40.369 -0.669 25829 3378 1 8 . 1 1 394 394 ASP H H 394 8.623 8.623 8.741 -0.118 25829 3379 1 8 . 1 1 395 395 SER N N 395 108.500 108.500 114.608 -6.108 25829 3380 1 8 . 1 1 395 395 SER HA H 395 4.293 4.293 4.223 0.070 25829 3381 1 8 . 1 1 395 395 SER CA C 395 56.340 56.340 59.359 -3.019 25829 3382 1 8 . 1 1 395 395 SER CB C 395 62.319 62.319 63.236 -0.917 25829 3383 1 8 . 1 1 395 395 SER H H 395 7.437 7.437 8.005 -0.568 25829 3384 1 8 . 1 1 396 396 ALA N N 396 127.500 127.500 124.577 2.923 25829 3385 1 8 . 1 1 396 396 ALA HA H 396 3.974 3.974 2.251 1.723 25829 3386 1 8 . 1 1 396 396 ALA CA C 396 51.617 51.617 50.540 1.077 25829 3387 1 8 . 1 1 396 396 ALA CB C 396 15.670 15.670 16.929 -1.259 25829 3388 1 8 . 1 1 396 396 ALA H H 396 7.077 7.077 7.220 -0.143 25829 3389 1 8 . 1 1 397 397 THR N N 397 115.344 115.344 112.804 2.540 25829 3390 1 8 . 1 1 397 397 THR HA H 397 4.760 4.760 4.622 0.138 25829 3391 1 8 . 1 1 397 397 THR CA C 397 58.900 58.900 60.742 -1.842 25829 3392 1 8 . 1 1 397 397 THR CB C 397 70.600 70.600 71.603 -1.002 25829 3393 1 8 . 1 1 397 397 THR H H 397 7.802 7.802 7.883 -0.081 25829 3394 1 8 . 1 1 398 398 LEU N N 398 122.107 122.107 124.648 -2.541 25829 3395 1 8 . 1 1 398 398 LEU HA H 398 4.402 4.402 4.175 0.227 25829 3396 1 8 . 1 1 398 398 LEU CA C 398 57.949 57.949 58.882 -0.933 25829 3397 1 8 . 1 1 398 398 LEU CB C 398 40.435 40.435 41.182 -0.747 25829 3398 1 8 . 1 1 398 398 LEU H H 398 8.686 8.686 9.045 -0.359 25829 3399 1 8 . 1 1 399 399 ASP N N 399 116.774 116.774 119.415 -2.641 25829 3400 1 8 . 1 1 399 399 ASP HA H 399 4.340 4.340 4.342 -0.002 25829 3401 1 8 . 1 1 399 399 ASP CA C 399 57.209 57.209 57.929 -0.720 25829 3402 1 8 . 1 1 399 399 ASP CB C 399 39.800 39.800 40.676 -0.876 25829 3403 1 8 . 1 1 399 399 ASP H H 399 8.592 8.592 8.271 0.321 25829 3404 1 8 . 1 1 400 400 ALA N N 400 123.457 123.457 122.327 1.130 25829 3405 1 8 . 1 1 400 400 ALA HA H 400 4.265 4.265 4.315 -0.050 25829 3406 1 8 . 1 1 400 400 ALA CA C 400 54.429 54.429 55.107 -0.678 25829 3407 1 8 . 1 1 400 400 ALA CB C 400 17.800 17.800 18.723 -0.923 25829 3408 1 8 . 1 1 400 400 ALA H H 400 8.285 8.285 8.190 0.095 25829 3409 1 8 . 1 1 401 401 LEU N N 401 121.963 121.963 120.800 1.163 25829 3410 1 8 . 1 1 401 401 LEU HA H 401 3.774 3.774 3.999 -0.225 25829 3411 1 8 . 1 1 401 401 LEU CA C 401 57.306 57.306 58.211 -0.905 25829 3412 1 8 . 1 1 401 401 LEU CB C 401 40.560 40.560 41.699 -1.139 25829 3413 1 8 . 1 1 401 401 LEU H H 401 7.952 7.952 8.288 -0.336 25829 3414 1 8 . 1 1 402 402 LEU N N 402 117.440 117.440 117.864 -0.424 25829 3415 1 8 . 1 1 402 402 LEU HA H 402 3.837 3.837 3.920 -0.083 25829 3416 1 8 . 1 1 402 402 LEU CA C 402 57.400 57.400 57.827 -0.427 25829 3417 1 8 . 1 1 402 402 LEU CB C 402 39.700 39.700 41.208 -1.508 25829 3418 1 8 . 1 1 402 402 LEU H H 402 8.633 8.633 8.733 -0.100 25829 3419 1 8 . 1 1 403 403 ALA N N 403 119.971 119.971 121.651 -1.680 25829 3420 1 8 . 1 1 403 403 ALA HA H 403 3.993 3.993 3.974 0.019 25829 3421 1 8 . 1 1 403 403 ALA CA C 403 54.500 54.500 55.074 -0.574 25829 3422 1 8 . 1 1 403 403 ALA CB C 403 17.200 17.200 17.988 -0.788 25829 3423 1 8 . 1 1 403 403 ALA H H 403 8.132 8.132 7.762 0.370 25829 3424 1 8 . 1 1 404 404 ALA N N 404 121.297 121.297 121.595 -0.298 25829 3425 1 8 . 1 1 404 404 ALA HA H 404 3.815 3.815 3.976 -0.161 25829 3426 1 8 . 1 1 404 404 ALA CA C 404 54.800 54.800 54.734 0.066 25829 3427 1 8 . 1 1 404 404 ALA CB C 404 18.100 18.100 18.462 -0.362 25829 3428 1 8 . 1 1 404 404 ALA H H 404 7.610 7.610 7.996 -0.386 25829 3429 1 8 . 1 1 405 405 LEU N N 405 116.480 116.480 118.986 -2.506 25829 3430 1 8 . 1 1 405 405 LEU HA H 405 3.853 3.853 3.860 -0.007 25829 3431 1 8 . 1 1 405 405 LEU CA C 405 56.591 56.591 57.685 -1.094 25829 3432 1 8 . 1 1 405 405 LEU CB C 405 41.000 41.000 41.554 -0.554 25829 3433 1 8 . 1 1 405 405 LEU H H 405 8.009 8.009 8.241 -0.232 25829 3434 1 8 . 1 1 406 406 ARG N N 406 118.300 118.300 118.894 -0.594 25829 3435 1 8 . 1 1 406 406 ARG HA H 406 3.804 3.804 3.952 -0.148 25829 3436 1 8 . 1 1 406 406 ARG CA C 406 59.650 59.650 59.076 0.574 25829 3437 1 8 . 1 1 406 406 ARG CB C 406 29.300 29.300 29.703 -0.403 25829 3438 1 8 . 1 1 406 406 ARG H H 406 7.983 7.983 7.757 0.226 25829 3439 1 8 . 1 1 407 407 ARG N N 407 120.307 120.307 118.509 1.798 25829 3440 1 8 . 1 1 407 407 ARG HA H 407 4.085 4.085 4.154 -0.069 25829 3441 1 8 . 1 1 407 407 ARG CA C 407 59.552 59.552 58.041 1.511 25829 3442 1 8 . 1 1 407 407 ARG CB C 407 29.700 29.700 29.728 -0.028 25829 3443 1 8 . 1 1 407 407 ARG H H 407 7.916 7.916 7.833 0.083 25829 3444 1 8 . 1 1 408 408 ILE N N 408 110.637 110.637 112.658 -2.021 25829 3445 1 8 . 1 1 408 408 ILE HA H 408 4.530 4.530 4.383 0.147 25829 3446 1 8 . 1 1 408 408 ILE CA C 408 60.500 60.500 60.493 0.007 25829 3447 1 8 . 1 1 408 408 ILE CB C 408 36.148 36.148 37.278 -1.130 25829 3448 1 8 . 1 1 408 408 ILE H H 408 7.274 7.274 7.172 0.102 25829 3449 1 8 . 1 1 409 409 GLN N N 409 113.647 113.647 116.294 -2.647 25829 3450 1 8 . 1 1 409 409 GLN HA H 409 3.962 3.962 4.003 -0.041 25829 3451 1 8 . 1 1 409 409 GLN CA C 409 56.289 56.289 57.406 -1.117 25829 3452 1 8 . 1 1 409 409 GLN CB C 409 24.550 24.550 26.402 -1.852 25829 3453 1 8 . 1 1 409 409 GLN H H 409 7.714 7.714 7.633 0.081 25829 3454 1 8 . 1 1 410 410 ARG N N 410 117.152 117.152 117.291 -0.139 25829 3455 1 8 . 1 1 410 410 ARG HA H 410 5.039 5.039 4.869 0.170 25829 3456 1 8 . 1 1 410 410 ARG CA C 410 50.920 50.920 53.771 -2.851 25829 3457 1 8 . 1 1 410 410 ARG CB C 410 26.600 26.600 30.317 -3.717 25829 3458 1 8 . 1 1 410 410 ARG H H 410 8.029 8.029 7.957 0.072 25829 3459 1 8 . 1 1 411 411 ALA N N 411 123.065 123.065 122.618 0.447 25829 3460 1 8 . 1 1 411 411 ALA HA H 411 3.854 3.854 3.946 -0.092 25829 3461 1 8 . 1 1 411 411 ALA CA C 411 54.287 54.287 55.059 -0.772 25829 3462 1 8 . 1 1 411 411 ALA CB C 411 17.691 17.691 18.689 -0.998 25829 3463 1 8 . 1 1 411 411 ALA H H 411 8.121 8.121 8.412 -0.291 25829 3464 1 8 . 1 1 412 412 ASP N N 412 116.575 116.575 117.763 -1.188 25829 3465 1 8 . 1 1 412 412 ASP HA H 412 4.251 4.251 4.342 -0.091 25829 3466 1 8 . 1 1 412 412 ASP CA C 412 55.566 55.566 56.320 -0.754 25829 3467 1 8 . 1 1 412 412 ASP CB C 412 38.000 38.000 39.556 -1.556 25829 3468 1 8 . 1 1 412 412 ASP H H 412 8.916 8.916 8.348 0.568 25829 3469 1 8 . 1 1 413 413 LEU N N 413 120.881 120.881 121.278 -0.397 25829 3470 1 8 . 1 1 413 413 LEU HA H 413 4.134 4.134 4.175 -0.041 25829 3471 1 8 . 1 1 413 413 LEU CA C 413 56.251 56.251 56.668 -0.417 25829 3472 1 8 . 1 1 413 413 LEU CB C 413 41.190 41.190 42.059 -0.869 25829 3473 1 8 . 1 1 413 413 LEU H H 413 7.497 7.497 7.400 0.097 25829 3474 1 8 . 1 1 414 414 VAL N N 414 117.403 117.403 119.416 -2.013 25829 3475 1 8 . 1 1 414 414 VAL HA H 414 3.475 3.475 3.550 -0.075 25829 3476 1 8 . 1 1 414 414 VAL CA C 414 65.682 65.682 66.869 -1.187 25829 3477 1 8 . 1 1 414 414 VAL CB C 414 31.000 31.000 30.829 0.171 25829 3478 1 8 . 1 1 414 414 VAL H H 414 7.158 7.158 8.096 -0.938 25829 3479 1 8 . 1 1 415 415 GLU N N 415 118.645 118.645 119.916 -1.271 25829 3480 1 8 . 1 1 415 415 GLU HA H 415 3.957 3.957 3.927 0.030 25829 3481 1 8 . 1 1 415 415 GLU CA C 415 58.698 58.698 59.940 -1.242 25829 3482 1 8 . 1 1 415 415 GLU CB C 415 28.535 28.535 29.357 -0.822 25829 3483 1 8 . 1 1 415 415 GLU H H 415 8.023 8.023 7.682 0.341 25829 3484 1 8 . 1 1 416 416 SER N N 416 113.570 113.570 116.053 -2.483 25829 3485 1 8 . 1 1 416 416 SER HA H 416 4.230 4.230 4.111 0.119 25829 3486 1 8 . 1 1 416 416 SER CA C 416 60.774 60.774 61.559 -0.785 25829 3487 1 8 . 1 1 416 416 SER CB C 416 62.641 62.641 63.093 -0.452 25829 3488 1 8 . 1 1 416 416 SER H H 416 7.668 7.668 7.683 -0.015 25829 3489 1 8 . 1 1 417 417 LEU N N 417 120.278 120.278 120.912 -0.634 25829 3490 1 8 . 1 1 417 417 LEU HA H 417 4.220 4.220 4.389 -0.169 25829 3491 1 8 . 1 1 417 417 LEU CA C 417 55.974 55.974 56.841 -0.867 25829 3492 1 8 . 1 1 417 417 LEU CB C 417 42.477 42.477 42.073 0.404 25829 3493 1 8 . 1 1 417 417 LEU H H 417 7.727 7.727 7.641 0.086 25829 3494 1 8 . 1 1 418 418 CYS N N 418 116.200 116.200 119.382 -3.182 25829 3495 1 8 . 1 1 418 418 CYS HA H 418 4.490 4.490 4.019 0.471 25829 3496 1 8 . 1 1 418 418 CYS CA C 418 59.010 59.010 63.551 -4.541 25829 3497 1 8 . 1 1 418 418 CYS CB C 418 27.300 27.300 27.451 -0.151 25829 3498 1 8 . 1 1 418 418 CYS H H 418 7.855 7.855 8.600 -0.745 25829 3499 1 8 . 1 1 419 419 SER N N 419 116.680 116.680 115.353 1.327 25829 3500 1 8 . 1 1 419 419 SER HA H 419 4.402 4.402 4.192 0.210 25829 3501 1 8 . 1 1 419 419 SER CA C 419 58.284 58.284 61.144 -2.860 25829 3502 1 8 . 1 1 419 419 SER CB C 419 63.179 63.179 62.979 0.200 25829 3503 1 8 . 1 1 419 419 SER H H 419 7.813 7.813 8.360 -0.547 25829 3504 1 8 . 1 1 420 420 GLU N N 420 122.629 122.629 118.786 3.843 25829 3505 1 8 . 1 1 420 420 GLU HA H 420 4.338 4.338 4.370 -0.032 25829 3506 1 8 . 1 1 420 420 GLU CA C 420 56.021 56.021 57.326 -1.305 25829 3507 1 8 . 1 1 420 420 GLU CB C 420 29.569 29.569 30.148 -0.579 25829 3508 1 8 . 1 1 420 420 GLU H H 420 8.456 8.456 7.459 0.997 25829 3509 1 8 . 1 1 421 421 SER N N 421 116.600 116.600 114.862 1.738 25829 3510 1 8 . 1 1 421 421 SER HA H 421 4.470 4.470 4.558 -0.088 25829 3511 1 8 . 1 1 421 421 SER CA C 421 57.800 57.800 58.217 -0.416 25829 3512 1 8 . 1 1 421 421 SER CB C 421 63.180 63.180 63.048 0.132 25829 3513 1 8 . 1 1 421 421 SER H H 421 8.321 8.321 7.672 0.649 25829 3514 1 8 . 1 1 422 422 THR N N 422 115.756 115.756 115.249 0.507 25829 3515 1 8 . 1 1 422 422 THR HA H 422 4.331 4.331 4.368 -0.037 25829 3516 1 8 . 1 1 422 422 THR CA C 422 61.100 61.100 61.974 -0.875 25829 3517 1 8 . 1 1 422 422 THR CB C 422 69.000 69.000 70.373 -1.373 25829 3518 1 8 . 1 1 422 422 THR H H 422 8.144 8.144 7.234 0.910 25829 3519 1 8 . 1 1 423 423 ALA N N 423 126.280 126.280 128.710 -2.430 25829 3520 1 8 . 1 1 423 423 ALA HA H 423 4.369 4.369 4.433 -0.064 25829 3521 1 8 . 1 1 423 423 ALA CA C 423 52.060 52.060 52.389 -0.329 25829 3522 1 8 . 1 1 423 423 ALA CB C 423 18.600 18.600 17.973 0.627 25829 3523 1 8 . 1 1 423 423 ALA H H 423 8.233 8.233 8.517 -0.284 25829 3524 1 8 . 1 1 424 424 THR N N 424 113.047 113.047 116.688 -3.641 25829 3525 1 8 . 1 1 424 424 THR HA H 424 4.316 4.316 4.717 -0.401 25829 3526 1 8 . 1 1 424 424 THR CA C 424 60.990 60.990 61.220 -0.230 25829 3527 1 8 . 1 1 424 424 THR CB C 424 69.200 69.200 70.267 -1.067 25829 3528 1 8 . 1 1 424 424 THR H H 424 8.061 8.061 8.198 -0.137 25829 3529 1 8 . 1 1 425 425 SER N N 425 119.479 119.479 116.518 2.961 25829 3530 1 8 . 1 1 425 425 SER HA H 425 4.755 4.755 4.799 -0.044 25829 3531 1 8 . 1 1 425 425 SER CA C 425 55.720 55.720 56.448 -0.728 25829 3532 1 8 . 1 1 425 425 SER CB C 425 62.800 62.800 64.229 -1.429 25829 3533 1 8 . 1 1 425 425 SER H H 425 8.215 8.215 8.307 -0.092 25829 3534 1 8 . 1 1 426 426 PRO HA H 426 4.461 4.461 4.548 -0.087 25829 3535 1 8 . 1 1 426 426 PRO CA C 426 62.851 62.851 63.057 -0.206 25829 3536 1 8 . 1 1 426 426 PRO CB C 426 31.308 31.308 30.802 0.506 25829 3537 1 9 . 1 1 335 335 LEU N N 335 120.860 120.860 122.921 -2.061 25829 3538 1 9 . 1 1 335 335 LEU HA H 335 4.203 4.203 4.464 -0.261 25829 3539 1 9 . 1 1 335 335 LEU CA C 335 54.890 54.890 54.388 0.502 25829 3540 1 9 . 1 1 335 335 LEU CB C 335 40.860 40.860 43.778 -2.917 25829 3541 1 9 . 1 1 335 335 LEU H H 335 8.289 8.289 8.435 -0.146 25829 3542 1 9 . 1 1 336 336 TYR N N 336 127.150 127.150 124.589 2.561 25829 3543 1 9 . 1 1 336 336 TYR HA H 336 4.042 4.042 4.172 -0.130 25829 3544 1 9 . 1 1 336 336 TYR CA C 336 61.360 61.360 61.094 0.266 25829 3545 1 9 . 1 1 336 336 TYR CB C 336 38.768 38.768 38.892 -0.123 25829 3546 1 9 . 1 1 336 336 TYR H H 336 9.027 9.027 9.083 -0.056 25829 3547 1 9 . 1 1 337 337 SER N N 337 111.560 111.560 112.737 -1.177 25829 3548 1 9 . 1 1 337 337 SER HA H 337 3.926 3.926 4.077 -0.151 25829 3549 1 9 . 1 1 337 337 SER CA C 337 59.251 59.251 60.238 -0.987 25829 3550 1 9 . 1 1 337 337 SER CB C 337 62.235 62.235 62.587 -0.352 25829 3551 1 9 . 1 1 337 337 SER H H 337 9.318 9.318 8.635 0.683 25829 3552 1 9 . 1 1 338 338 SER N N 338 115.800 115.800 115.551 0.249 25829 3553 1 9 . 1 1 338 338 SER HA H 338 4.465 4.465 4.335 0.130 25829 3554 1 9 . 1 1 338 338 SER CA C 338 58.120 58.120 59.193 -1.073 25829 3555 1 9 . 1 1 338 338 SER CB C 338 63.663 63.663 63.526 0.137 25829 3556 1 9 . 1 1 338 338 SER H H 338 7.459 7.459 7.624 -0.165 25829 3557 1 9 . 1 1 339 339 LEU N N 339 123.972 123.972 122.840 1.132 25829 3558 1 9 . 1 1 339 339 LEU HA H 339 4.366 4.366 4.372 -0.006 25829 3559 1 9 . 1 1 339 339 LEU CA C 339 52.936 52.936 53.479 -0.543 25829 3560 1 9 . 1 1 339 339 LEU CB C 339 40.889 40.889 41.241 -0.352 25829 3561 1 9 . 1 1 339 339 LEU H H 339 7.520 7.520 7.286 0.234 25829 3562 1 9 . 1 1 340 340 PRO HA H 340 4.723 4.723 4.636 0.087 25829 3563 1 9 . 1 1 340 340 PRO CA C 340 60.800 60.800 61.531 -0.731 25829 3564 1 9 . 1 1 340 340 PRO CB C 340 27.300 27.300 30.986 -3.686 25829 3565 1 9 . 1 1 341 341 PRO HA H 341 3.971 3.971 4.182 -0.211 25829 3566 1 9 . 1 1 341 341 PRO CA C 341 65.204 65.204 65.609 -0.405 25829 3567 1 9 . 1 1 341 341 PRO CB C 341 31.100 31.100 31.504 -0.404 25829 3568 1 9 . 1 1 342 342 ALA N N 342 117.460 117.460 121.395 -3.935 25829 3569 1 9 . 1 1 342 342 ALA HA H 342 4.125 4.125 4.042 0.083 25829 3570 1 9 . 1 1 342 342 ALA CA C 342 54.529 54.529 55.347 -0.818 25829 3571 1 9 . 1 1 342 342 ALA CB C 342 17.700 17.700 18.133 -0.433 25829 3572 1 9 . 1 1 342 342 ALA H H 342 8.625 8.625 8.440 0.185 25829 3573 1 9 . 1 1 343 343 LYS N N 343 117.364 117.364 118.273 -0.909 25829 3574 1 9 . 1 1 343 343 LYS HA H 343 4.295 4.295 3.983 0.312 25829 3575 1 9 . 1 1 343 343 LYS CA C 343 56.167 56.167 59.265 -3.098 25829 3576 1 9 . 1 1 343 343 LYS CB C 343 30.889 30.889 31.923 -1.034 25829 3577 1 9 . 1 1 343 343 LYS H H 343 7.254 7.254 7.623 -0.369 25829 3578 1 9 . 1 1 344 344 ARG N N 344 118.680 118.680 118.322 0.358 25829 3579 1 9 . 1 1 344 344 ARG HA H 344 3.850 3.850 4.211 -0.361 25829 3580 1 9 . 1 1 344 344 ARG CA C 344 59.660 59.660 59.435 0.225 25829 3581 1 9 . 1 1 344 344 ARG CB C 344 29.300 29.300 30.061 -0.761 25829 3582 1 9 . 1 1 344 344 ARG H H 344 7.410 7.410 7.612 -0.202 25829 3583 1 9 . 1 1 345 345 GLU N N 345 118.035 118.035 119.538 -1.503 25829 3584 1 9 . 1 1 345 345 GLU HA H 345 3.926 3.926 4.123 -0.197 25829 3585 1 9 . 1 1 345 345 GLU CA C 345 58.720 58.720 59.495 -0.775 25829 3586 1 9 . 1 1 345 345 GLU CB C 345 28.600 28.600 29.541 -0.942 25829 3587 1 9 . 1 1 345 345 GLU H H 345 8.267 8.267 7.950 0.317 25829 3588 1 9 . 1 1 346 346 GLU N N 346 119.810 119.810 119.925 -0.115 25829 3589 1 9 . 1 1 346 346 GLU HA H 346 3.950 3.950 4.184 -0.234 25829 3590 1 9 . 1 1 346 346 GLU CA C 346 59.000 59.000 59.131 -0.131 25829 3591 1 9 . 1 1 346 346 GLU CB C 346 29.113 29.113 29.278 -0.165 25829 3592 1 9 . 1 1 346 346 GLU H H 346 7.444 7.444 8.456 -1.012 25829 3593 1 9 . 1 1 347 347 VAL N N 347 119.540 119.540 119.610 -0.070 25829 3594 1 9 . 1 1 347 347 VAL HA H 347 3.470 3.470 3.693 -0.223 25829 3595 1 9 . 1 1 347 347 VAL CA C 347 66.267 66.267 66.773 -0.506 25829 3596 1 9 . 1 1 347 347 VAL CB C 347 30.800 30.800 31.291 -0.491 25829 3597 1 9 . 1 1 347 347 VAL H H 347 7.938 7.938 8.609 -0.671 25829 3598 1 9 . 1 1 348 348 GLU N N 348 118.250 118.250 119.770 -1.520 25829 3599 1 9 . 1 1 348 348 GLU HA H 348 3.513 3.513 4.065 -0.552 25829 3600 1 9 . 1 1 348 348 GLU CA C 348 59.609 59.609 59.678 -0.069 25829 3601 1 9 . 1 1 348 348 GLU CB C 348 28.620 28.620 29.386 -0.766 25829 3602 1 9 . 1 1 348 348 GLU H H 348 8.094 8.094 7.768 0.326 25829 3603 1 9 . 1 1 349 349 LYS N N 349 118.860 118.860 119.714 -0.854 25829 3604 1 9 . 1 1 349 349 LYS HA H 349 3.948 3.948 4.059 -0.111 25829 3605 1 9 . 1 1 349 349 LYS CA C 349 59.000 59.000 59.603 -0.603 25829 3606 1 9 . 1 1 349 349 LYS CB C 349 31.809 31.809 32.618 -0.809 25829 3607 1 9 . 1 1 349 349 LYS H H 349 8.319 8.319 8.042 0.277 25829 3608 1 9 . 1 1 350 350 LEU N N 350 120.820 120.820 117.883 2.937 25829 3609 1 9 . 1 1 350 350 LEU HA H 350 4.050 4.050 4.230 -0.180 25829 3610 1 9 . 1 1 350 350 LEU CA C 350 56.954 56.954 57.575 -0.622 25829 3611 1 9 . 1 1 350 350 LEU CB C 350 41.300 41.300 42.090 -0.790 25829 3612 1 9 . 1 1 350 350 LEU H H 350 8.020 8.020 8.137 -0.117 25829 3613 1 9 . 1 1 351 351 LEU N N 351 117.800 117.800 120.893 -3.093 25829 3614 1 9 . 1 1 351 351 LEU HA H 351 4.020 4.020 3.904 0.116 25829 3615 1 9 . 1 1 351 351 LEU CA C 351 56.700 56.700 57.366 -0.666 25829 3616 1 9 . 1 1 351 351 LEU CB C 351 41.470 41.470 41.608 -0.138 25829 3617 1 9 . 1 1 351 351 LEU H H 351 8.205 8.205 7.543 0.662 25829 3618 1 9 . 1 1 352 352 ASN N N 352 118.847 118.847 114.840 4.007 25829 3619 1 9 . 1 1 352 352 ASN HA H 352 4.487 4.487 4.533 -0.046 25829 3620 1 9 . 1 1 352 352 ASN CA C 352 54.980 54.980 55.380 -0.400 25829 3621 1 9 . 1 1 352 352 ASN CB C 352 38.660 38.660 38.449 0.211 25829 3622 1 9 . 1 1 352 352 ASN H H 352 8.613 8.613 7.953 0.660 25829 3623 1 9 . 1 1 353 353 GLY N N 353 104.836 104.836 106.232 -1.396 25829 3624 1 9 . 1 1 353 353 GLY CA C 353 45.100 45.100 45.138 -0.038 25829 3625 1 9 . 1 1 353 353 GLY H H 353 7.803 7.803 7.525 0.278 25829 3626 1 9 . 1 1 354 354 SER N N 354 115.370 115.370 118.883 -3.513 25829 3627 1 9 . 1 1 354 354 SER HA H 354 4.530 4.530 4.382 0.148 25829 3628 1 9 . 1 1 354 354 SER CA C 354 58.317 58.317 57.455 0.862 25829 3629 1 9 . 1 1 354 354 SER CB C 354 63.678 63.678 62.037 1.641 25829 3630 1 9 . 1 1 354 354 SER H H 354 7.567 7.567 7.629 -0.062 25829 3631 1 9 . 1 1 355 355 ALA N N 355 124.206 124.206 126.944 -2.738 25829 3632 1 9 . 1 1 355 355 ALA HA H 355 4.455 4.455 4.053 0.402 25829 3633 1 9 . 1 1 355 355 ALA CA C 355 51.960 51.960 52.761 -0.801 25829 3634 1 9 . 1 1 355 355 ALA CB C 355 18.545 18.545 18.759 -0.213 25829 3635 1 9 . 1 1 355 355 ALA H H 355 8.334 8.334 7.824 0.510 25829 3636 1 9 . 1 1 356 356 GLY N N 356 108.886 108.886 105.802 3.084 25829 3637 1 9 . 1 1 356 356 GLY CA C 356 46.340 46.340 45.733 0.607 25829 3638 1 9 . 1 1 356 356 GLY H H 356 8.613 8.613 8.690 -0.077 25829 3639 1 9 . 1 1 357 357 ASP N N 357 119.161 119.161 116.921 2.240 25829 3640 1 9 . 1 1 357 357 ASP HA H 357 4.490 4.490 4.312 0.178 25829 3641 1 9 . 1 1 357 357 ASP CA C 357 53.700 53.700 53.160 0.541 25829 3642 1 9 . 1 1 357 357 ASP CB C 357 39.418 39.418 39.913 -0.495 25829 3643 1 9 . 1 1 357 357 ASP H H 357 8.534 8.534 8.089 0.445 25829 3644 1 9 . 1 1 358 358 THR N N 358 116.000 116.000 113.866 2.134 25829 3645 1 9 . 1 1 358 358 THR HA H 358 3.855 3.855 3.815 0.040 25829 3646 1 9 . 1 1 358 358 THR CA C 358 66.123 66.123 66.151 -0.028 25829 3647 1 9 . 1 1 358 358 THR CB C 358 67.860 67.860 68.437 -0.577 25829 3648 1 9 . 1 1 358 358 THR H H 358 7.864 7.864 7.726 0.138 25829 3649 1 9 . 1 1 359 359 TRP N N 359 118.670 118.670 120.258 -1.588 25829 3650 1 9 . 1 1 359 359 TRP HA H 359 3.930 3.930 4.215 -0.285 25829 3651 1 9 . 1 1 359 359 TRP CA C 359 59.500 59.500 58.610 0.890 25829 3652 1 9 . 1 1 359 359 TRP CB C 359 26.859 26.859 27.599 -0.740 25829 3653 1 9 . 1 1 359 359 TRP H H 359 8.287 8.287 8.188 0.099 25829 3654 1 9 . 1 1 360 360 ARG N N 360 122.263 122.263 120.987 1.276 25829 3655 1 9 . 1 1 360 360 ARG HA H 360 2.995 2.995 3.377 -0.382 25829 3656 1 9 . 1 1 360 360 ARG CA C 360 58.797 58.797 58.995 -0.198 25829 3657 1 9 . 1 1 360 360 ARG CB C 360 28.650 28.650 29.381 -0.732 25829 3658 1 9 . 1 1 360 360 ARG H H 360 6.341 6.341 6.567 -0.226 25829 3659 1 9 . 1 1 361 361 HIS N N 361 120.604 120.604 118.248 2.356 25829 3660 1 9 . 1 1 361 361 HIS HA H 361 4.379 4.379 4.234 0.145 25829 3661 1 9 . 1 1 361 361 HIS CA C 361 57.124 57.124 59.047 -1.923 25829 3662 1 9 . 1 1 361 361 HIS CB C 361 29.551 29.551 30.099 -0.548 25829 3663 1 9 . 1 1 361 361 HIS H H 361 7.370 7.370 7.567 -0.197 25829 3664 1 9 . 1 1 362 362 LEU N N 362 120.734 120.734 120.199 0.535 25829 3665 1 9 . 1 1 362 362 LEU HA H 362 3.750 3.750 3.855 -0.105 25829 3666 1 9 . 1 1 362 362 LEU CA C 362 57.153 57.153 57.925 -0.771 25829 3667 1 9 . 1 1 362 362 LEU CB C 362 40.886 40.886 41.733 -0.846 25829 3668 1 9 . 1 1 362 362 LEU H H 362 8.365 8.365 8.148 0.217 25829 3669 1 9 . 1 1 363 363 ALA N N 363 118.919 118.919 120.602 -1.683 25829 3670 1 9 . 1 1 363 363 ALA HA H 363 3.824 3.824 3.943 -0.119 25829 3671 1 9 . 1 1 363 363 ALA CA C 363 54.910 54.910 55.422 -0.512 25829 3672 1 9 . 1 1 363 363 ALA CB C 363 18.000 18.000 17.998 0.002 25829 3673 1 9 . 1 1 363 363 ALA H H 363 8.384 8.384 8.368 0.016 25829 3674 1 9 . 1 1 364 364 GLY N N 364 103.970 103.970 105.968 -1.998 25829 3675 1 9 . 1 1 364 364 GLY CA C 364 46.452 46.452 47.137 -0.685 25829 3676 1 9 . 1 1 364 364 GLY H H 364 7.679 7.679 7.807 -0.128 25829 3677 1 9 . 1 1 365 365 GLU N N 365 122.387 122.387 120.665 1.722 25829 3678 1 9 . 1 1 365 365 GLU HA H 365 4.250 4.250 4.303 -0.053 25829 3679 1 9 . 1 1 365 365 GLU CA C 365 57.100 57.100 57.259 -0.159 25829 3680 1 9 . 1 1 365 365 GLU CB C 365 29.043 29.043 29.404 -0.361 25829 3681 1 9 . 1 1 365 365 GLU H H 365 7.724 7.724 7.592 0.132 25829 3682 1 9 . 1 1 366 366 LEU N N 366 117.748 117.748 118.794 -1.046 25829 3683 1 9 . 1 1 366 366 LEU HA H 366 4.329 4.329 4.314 0.015 25829 3684 1 9 . 1 1 366 366 LEU CA C 366 53.898 53.898 55.135 -1.237 25829 3685 1 9 . 1 1 366 366 LEU CB C 366 40.569 40.569 42.394 -1.825 25829 3686 1 9 . 1 1 366 366 LEU H H 366 7.813 7.813 8.298 -0.485 25829 3687 1 9 . 1 1 367 367 GLY N N 367 105.744 105.744 105.802 -0.058 25829 3688 1 9 . 1 1 367 367 GLY CA C 367 44.900 44.900 45.057 -0.157 25829 3689 1 9 . 1 1 367 367 GLY H H 367 7.636 7.636 7.508 0.128 25829 3690 1 9 . 1 1 368 368 TYR N N 368 119.550 119.550 121.069 -1.519 25829 3691 1 9 . 1 1 368 368 TYR HA H 368 4.450 4.450 4.330 0.120 25829 3692 1 9 . 1 1 368 368 TYR CA C 368 58.960 58.960 59.261 -0.301 25829 3693 1 9 . 1 1 368 368 TYR CB C 368 37.990 37.990 39.110 -1.120 25829 3694 1 9 . 1 1 368 368 TYR H H 368 7.958 7.958 8.070 -0.112 25829 3695 1 9 . 1 1 369 369 GLN N N 369 123.108 123.108 123.837 -0.729 25829 3696 1 9 . 1 1 369 369 GLN HA H 369 4.600 4.600 4.432 0.168 25829 3697 1 9 . 1 1 369 369 GLN CA C 369 53.400 53.400 54.830 -1.430 25829 3698 1 9 . 1 1 369 369 GLN CB C 369 27.110 27.110 28.643 -1.533 25829 3699 1 9 . 1 1 369 369 GLN H H 369 9.767 9.767 8.569 1.198 25829 3700 1 9 . 1 1 370 370 PRO HA H 370 4.057 4.057 4.272 -0.215 25829 3701 1 9 . 1 1 370 370 PRO CA C 370 66.262 66.262 65.403 0.859 25829 3702 1 9 . 1 1 370 370 PRO CB C 370 31.384 31.384 31.901 -0.517 25829 3703 1 9 . 1 1 371 371 GLU N N 371 116.204 116.204 116.911 -0.707 25829 3704 1 9 . 1 1 371 371 GLU HA H 371 4.111 4.111 4.078 0.033 25829 3705 1 9 . 1 1 371 371 GLU CA C 371 58.661 58.661 59.093 -0.432 25829 3706 1 9 . 1 1 371 371 GLU CB C 371 27.741 27.741 28.407 -0.666 25829 3707 1 9 . 1 1 371 371 GLU H H 371 9.493 9.493 8.985 0.508 25829 3708 1 9 . 1 1 372 372 HIS N N 372 120.310 120.310 119.875 0.435 25829 3709 1 9 . 1 1 372 372 HIS HA H 372 4.425 4.425 4.331 0.094 25829 3710 1 9 . 1 1 372 372 HIS CA C 372 57.070 57.070 58.674 -1.604 25829 3711 1 9 . 1 1 372 372 HIS CB C 372 31.818 31.818 30.620 1.198 25829 3712 1 9 . 1 1 372 372 HIS H H 372 7.424 7.424 7.652 -0.228 25829 3713 1 9 . 1 1 373 373 ILE N N 373 120.390 120.390 119.509 0.881 25829 3714 1 9 . 1 1 373 373 ILE HA H 373 3.708 3.708 4.155 -0.447 25829 3715 1 9 . 1 1 373 373 ILE CA C 373 65.480 65.480 63.521 1.959 25829 3716 1 9 . 1 1 373 373 ILE CB C 373 37.329 37.329 36.672 0.656 25829 3717 1 9 . 1 1 373 373 ILE H H 373 7.950 7.950 7.732 0.218 25829 3718 1 9 . 1 1 374 374 ASP N N 374 117.990 117.990 119.909 -1.919 25829 3719 1 9 . 1 1 374 374 ASP HA H 374 4.508 4.508 4.550 -0.042 25829 3720 1 9 . 1 1 374 374 ASP CA C 374 56.504 56.504 57.578 -1.074 25829 3721 1 9 . 1 1 374 374 ASP CB C 374 40.175 40.175 40.384 -0.209 25829 3722 1 9 . 1 1 374 374 ASP H H 374 8.142 8.142 7.833 0.309 25829 3723 1 9 . 1 1 375 375 SER N N 375 115.373 115.373 113.464 1.909 25829 3724 1 9 . 1 1 375 375 SER HA H 375 4.207 4.207 4.219 -0.012 25829 3725 1 9 . 1 1 375 375 SER CA C 375 60.962 60.962 60.715 0.247 25829 3726 1 9 . 1 1 375 375 SER CB C 375 61.999 61.999 62.882 -0.883 25829 3727 1 9 . 1 1 375 375 SER H H 375 7.485 7.485 7.564 -0.079 25829 3728 1 9 . 1 1 376 376 PHE N N 376 120.335 120.335 120.141 0.194 25829 3729 1 9 . 1 1 376 376 PHE HA H 376 4.503 4.503 4.407 0.096 25829 3730 1 9 . 1 1 376 376 PHE CA C 376 58.170 58.170 58.886 -0.716 25829 3731 1 9 . 1 1 376 376 PHE CB C 376 37.729 37.729 38.747 -1.018 25829 3732 1 9 . 1 1 376 376 PHE H H 376 7.787 7.787 7.303 0.484 25829 3733 1 9 . 1 1 377 377 THR N N 377 110.175 110.175 113.816 -3.641 25829 3734 1 9 . 1 1 377 377 THR HA H 377 3.908 3.908 4.368 -0.460 25829 3735 1 9 . 1 1 377 377 THR CA C 377 64.888 64.888 65.740 -0.852 25829 3736 1 9 . 1 1 377 377 THR CB C 377 68.990 68.990 68.575 0.415 25829 3737 1 9 . 1 1 377 377 THR H H 377 7.777 7.777 8.674 -0.897 25829 3738 1 9 . 1 1 378 378 HIS N N 378 116.164 116.164 119.024 -2.860 25829 3739 1 9 . 1 1 378 378 HIS HA H 378 4.630 4.630 4.654 -0.024 25829 3740 1 9 . 1 1 378 378 HIS CA C 378 55.189 55.189 55.879 -0.690 25829 3741 1 9 . 1 1 378 378 HIS CB C 378 28.700 28.700 30.379 -1.679 25829 3742 1 9 . 1 1 378 378 HIS H H 378 7.473 7.473 7.948 -0.475 25829 3743 1 9 . 1 1 379 379 GLU N N 379 119.465 119.465 120.579 -1.114 25829 3744 1 9 . 1 1 379 379 GLU HA H 379 4.194 4.194 4.493 -0.299 25829 3745 1 9 . 1 1 379 379 GLU CA C 379 54.632 54.632 54.994 -0.362 25829 3746 1 9 . 1 1 379 379 GLU CB C 379 29.247 29.247 31.523 -2.276 25829 3747 1 9 . 1 1 379 379 GLU H H 379 7.229 7.229 7.542 -0.313 25829 3748 1 9 . 1 1 380 380 ALA N N 380 123.121 123.121 126.444 -3.323 25829 3749 1 9 . 1 1 380 380 ALA HA H 380 3.983 3.983 4.225 -0.242 25829 3750 1 9 . 1 1 380 380 ALA CA C 380 54.134 54.134 53.299 0.835 25829 3751 1 9 . 1 1 380 380 ALA CB C 380 17.480 17.480 19.027 -1.547 25829 3752 1 9 . 1 1 380 380 ALA H H 380 8.624 8.624 8.426 0.198 25829 3753 1 9 . 1 1 381 381 CYS N N 381 114.618 114.618 117.192 -2.574 25829 3754 1 9 . 1 1 381 381 CYS HA H 381 4.650 4.650 4.909 -0.259 25829 3755 1 9 . 1 1 381 381 CYS CA C 381 54.700 54.700 56.053 -1.353 25829 3756 1 9 . 1 1 381 381 CYS CB C 381 26.580 26.580 28.252 -1.672 25829 3757 1 9 . 1 1 381 381 CYS H H 381 7.962 7.962 8.314 -0.352 25829 3758 1 9 . 1 1 382 382 PRO HA H 382 3.530 3.530 3.939 -0.409 25829 3759 1 9 . 1 1 382 382 PRO CA C 382 65.150 65.150 65.144 0.006 25829 3760 1 9 . 1 1 382 382 PRO CB C 382 30.400 30.400 30.870 -0.470 25829 3761 1 9 . 1 1 383 383 VAL N N 383 114.288 114.288 118.698 -4.410 25829 3762 1 9 . 1 1 383 383 VAL HA H 383 3.250 3.250 3.506 -0.256 25829 3763 1 9 . 1 1 383 383 VAL CA C 383 65.300 65.300 65.204 0.096 25829 3764 1 9 . 1 1 383 383 VAL CB C 383 30.489 30.489 31.454 -0.965 25829 3765 1 9 . 1 1 383 383 VAL H H 383 7.935 7.935 7.595 0.340 25829 3766 1 9 . 1 1 384 384 ARG N N 384 120.700 120.700 119.918 0.782 25829 3767 1 9 . 1 1 384 384 ARG HA H 384 3.782 3.782 4.133 -0.351 25829 3768 1 9 . 1 1 384 384 ARG CA C 384 58.700 58.700 59.291 -0.591 25829 3769 1 9 . 1 1 384 384 ARG CB C 384 29.545 29.545 29.914 -0.369 25829 3770 1 9 . 1 1 384 384 ARG H H 384 7.253 7.253 7.446 -0.193 25829 3771 1 9 . 1 1 385 385 ALA N N 385 121.849 121.849 122.571 -0.722 25829 3772 1 9 . 1 1 385 385 ALA HA H 385 4.010 4.010 4.037 -0.027 25829 3773 1 9 . 1 1 385 385 ALA CA C 385 54.015 54.015 54.947 -0.932 25829 3774 1 9 . 1 1 385 385 ALA CB C 385 17.600 17.600 18.325 -0.725 25829 3775 1 9 . 1 1 385 385 ALA H H 385 7.371 7.371 7.364 0.007 25829 3776 1 9 . 1 1 386 386 LEU N N 386 120.978 120.978 119.638 1.340 25829 3777 1 9 . 1 1 386 386 LEU HA H 386 2.817 2.817 3.690 -0.873 25829 3778 1 9 . 1 1 386 386 LEU CA C 386 56.800 56.800 57.753 -0.953 25829 3779 1 9 . 1 1 386 386 LEU CB C 386 40.600 40.600 41.702 -1.101 25829 3780 1 9 . 1 1 386 386 LEU H H 386 7.999 7.999 8.021 -0.022 25829 3781 1 9 . 1 1 387 387 LEU N N 387 117.377 117.377 118.563 -1.186 25829 3782 1 9 . 1 1 387 387 LEU HA H 387 4.040 4.040 3.877 0.163 25829 3783 1 9 . 1 1 387 387 LEU CA C 387 57.390 57.390 57.986 -0.596 25829 3784 1 9 . 1 1 387 387 LEU CB C 387 40.200 40.200 41.451 -1.251 25829 3785 1 9 . 1 1 387 387 LEU H H 387 7.973 7.973 7.696 0.277 25829 3786 1 9 . 1 1 388 388 ALA N N 388 120.700 120.700 122.068 -1.368 25829 3787 1 9 . 1 1 388 388 ALA HA H 388 4.110 4.110 4.049 0.061 25829 3788 1 9 . 1 1 388 388 ALA CA C 388 54.162 54.162 55.245 -1.083 25829 3789 1 9 . 1 1 388 388 ALA CB C 388 17.437 17.437 18.255 -0.818 25829 3790 1 9 . 1 1 388 388 ALA H H 388 8.086 8.086 8.054 0.032 25829 3791 1 9 . 1 1 389 389 SER N N 389 111.963 111.963 114.070 -2.107 25829 3792 1 9 . 1 1 389 389 SER HA H 389 4.386 4.386 4.403 -0.017 25829 3793 1 9 . 1 1 389 389 SER CA C 389 59.878 59.878 60.816 -0.938 25829 3794 1 9 . 1 1 389 389 SER CB C 389 62.639 62.639 63.513 -0.874 25829 3795 1 9 . 1 1 389 389 SER H H 389 7.446 7.446 8.333 -0.887 25829 3796 1 9 . 1 1 390 390 TRP N N 390 125.600 125.600 124.436 1.164 25829 3797 1 9 . 1 1 390 390 TRP HA H 390 4.319 4.319 4.711 -0.392 25829 3798 1 9 . 1 1 390 390 TRP CA C 390 60.946 60.946 60.610 0.336 25829 3799 1 9 . 1 1 390 390 TRP CB C 390 27.482 27.482 29.727 -2.245 25829 3800 1 9 . 1 1 390 390 TRP H H 390 9.032 9.032 8.438 0.594 25829 3801 1 9 . 1 1 391 391 ALA N N 391 114.481 114.481 119.113 -4.632 25829 3802 1 9 . 1 1 391 391 ALA HA H 391 3.583 3.583 4.218 -0.635 25829 3803 1 9 . 1 1 391 391 ALA CA C 391 52.859 52.859 54.096 -1.237 25829 3804 1 9 . 1 1 391 391 ALA CB C 391 18.590 18.590 18.502 0.088 25829 3805 1 9 . 1 1 391 391 ALA H H 391 8.312 8.312 7.958 0.354 25829 3806 1 9 . 1 1 392 392 THR N N 392 106.369 106.369 109.008 -2.639 25829 3807 1 9 . 1 1 392 392 THR HA H 392 4.196 4.196 4.160 0.036 25829 3808 1 9 . 1 1 392 392 THR CA C 392 62.128 62.128 63.591 -1.463 25829 3809 1 9 . 1 1 392 392 THR CB C 392 69.100 69.100 68.870 0.230 25829 3810 1 9 . 1 1 392 392 THR H H 392 7.238 7.238 7.800 -0.562 25829 3811 1 9 . 1 1 393 393 GLN N N 393 121.193 121.193 120.378 0.815 25829 3812 1 9 . 1 1 393 393 GLN HA H 393 4.295 4.295 4.580 -0.285 25829 3813 1 9 . 1 1 393 393 GLN CA C 393 54.971 54.971 54.528 0.443 25829 3814 1 9 . 1 1 393 393 GLN CB C 393 29.130 29.130 31.860 -2.730 25829 3815 1 9 . 1 1 393 393 GLN H H 393 7.701 7.701 7.493 0.208 25829 3816 1 9 . 1 1 394 394 ASP N N 394 121.430 121.430 122.689 -1.259 25829 3817 1 9 . 1 1 394 394 ASP HA H 394 4.260 4.260 4.379 -0.119 25829 3818 1 9 . 1 1 394 394 ASP CA C 394 55.700 55.700 55.825 -0.125 25829 3819 1 9 . 1 1 394 394 ASP CB C 394 39.700 39.700 40.374 -0.674 25829 3820 1 9 . 1 1 394 394 ASP H H 394 8.623 8.623 8.720 -0.097 25829 3821 1 9 . 1 1 395 395 SER N N 395 108.500 108.500 114.239 -5.739 25829 3822 1 9 . 1 1 395 395 SER HA H 395 4.293 4.293 4.236 0.057 25829 3823 1 9 . 1 1 395 395 SER CA C 395 56.340 56.340 58.993 -2.653 25829 3824 1 9 . 1 1 395 395 SER CB C 395 62.319 62.319 63.121 -0.802 25829 3825 1 9 . 1 1 395 395 SER H H 395 7.437 7.437 7.945 -0.508 25829 3826 1 9 . 1 1 396 396 ALA N N 396 127.500 127.500 124.679 2.821 25829 3827 1 9 . 1 1 396 396 ALA HA H 396 3.974 3.974 2.053 1.921 25829 3828 1 9 . 1 1 396 396 ALA CA C 396 51.617 51.617 50.571 1.046 25829 3829 1 9 . 1 1 396 396 ALA CB C 396 15.670 15.670 17.110 -1.440 25829 3830 1 9 . 1 1 396 396 ALA H H 396 7.077 7.077 7.217 -0.140 25829 3831 1 9 . 1 1 397 397 THR N N 397 115.344 115.344 112.349 2.995 25829 3832 1 9 . 1 1 397 397 THR HA H 397 4.760 4.760 4.371 0.389 25829 3833 1 9 . 1 1 397 397 THR CA C 397 58.900 58.900 61.844 -2.945 25829 3834 1 9 . 1 1 397 397 THR CB C 397 70.600 70.600 70.893 -0.293 25829 3835 1 9 . 1 1 397 397 THR H H 397 7.802 7.802 7.583 0.219 25829 3836 1 9 . 1 1 398 398 LEU N N 398 122.107 122.107 125.710 -3.603 25829 3837 1 9 . 1 1 398 398 LEU HA H 398 4.402 4.402 4.226 0.176 25829 3838 1 9 . 1 1 398 398 LEU CA C 398 57.949 57.949 58.489 -0.540 25829 3839 1 9 . 1 1 398 398 LEU CB C 398 40.435 40.435 41.396 -0.961 25829 3840 1 9 . 1 1 398 398 LEU H H 398 8.686 8.686 8.877 -0.191 25829 3841 1 9 . 1 1 399 399 ASP N N 399 116.774 116.774 119.426 -2.652 25829 3842 1 9 . 1 1 399 399 ASP HA H 399 4.340 4.340 4.332 0.008 25829 3843 1 9 . 1 1 399 399 ASP CA C 399 57.209 57.209 57.916 -0.707 25829 3844 1 9 . 1 1 399 399 ASP CB C 399 39.800 39.800 40.673 -0.873 25829 3845 1 9 . 1 1 399 399 ASP H H 399 8.592 8.592 8.254 0.338 25829 3846 1 9 . 1 1 400 400 ALA N N 400 123.457 123.457 122.126 1.331 25829 3847 1 9 . 1 1 400 400 ALA HA H 400 4.265 4.265 4.287 -0.022 25829 3848 1 9 . 1 1 400 400 ALA CA C 400 54.429 54.429 55.059 -0.630 25829 3849 1 9 . 1 1 400 400 ALA CB C 400 17.800 17.800 18.658 -0.858 25829 3850 1 9 . 1 1 400 400 ALA H H 400 8.285 8.285 7.985 0.300 25829 3851 1 9 . 1 1 401 401 LEU N N 401 121.963 121.963 120.577 1.386 25829 3852 1 9 . 1 1 401 401 LEU HA H 401 3.774 3.774 3.872 -0.098 25829 3853 1 9 . 1 1 401 401 LEU CA C 401 57.306 57.306 57.851 -0.545 25829 3854 1 9 . 1 1 401 401 LEU CB C 401 40.560 40.560 42.159 -1.599 25829 3855 1 9 . 1 1 401 401 LEU H H 401 7.952 7.952 7.996 -0.044 25829 3856 1 9 . 1 1 402 402 LEU N N 402 117.440 117.440 118.952 -1.512 25829 3857 1 9 . 1 1 402 402 LEU HA H 402 3.837 3.837 3.838 -0.001 25829 3858 1 9 . 1 1 402 402 LEU CA C 402 57.400 57.400 58.089 -0.688 25829 3859 1 9 . 1 1 402 402 LEU CB C 402 39.700 39.700 41.318 -1.618 25829 3860 1 9 . 1 1 402 402 LEU H H 402 8.633 8.633 8.521 0.112 25829 3861 1 9 . 1 1 403 403 ALA N N 403 119.971 119.971 121.131 -1.160 25829 3862 1 9 . 1 1 403 403 ALA HA H 403 3.993 3.993 3.934 0.059 25829 3863 1 9 . 1 1 403 403 ALA CA C 403 54.500 54.500 55.119 -0.619 25829 3864 1 9 . 1 1 403 403 ALA CB C 403 17.200 17.200 18.018 -0.818 25829 3865 1 9 . 1 1 403 403 ALA H H 403 8.132 8.132 8.037 0.095 25829 3866 1 9 . 1 1 404 404 ALA N N 404 121.297 121.297 121.246 0.051 25829 3867 1 9 . 1 1 404 404 ALA HA H 404 3.815 3.815 3.991 -0.176 25829 3868 1 9 . 1 1 404 404 ALA CA C 404 54.800 54.800 54.660 0.140 25829 3869 1 9 . 1 1 404 404 ALA CB C 404 18.100 18.100 18.541 -0.441 25829 3870 1 9 . 1 1 404 404 ALA H H 404 7.610 7.610 7.655 -0.045 25829 3871 1 9 . 1 1 405 405 LEU N N 405 116.480 116.480 118.719 -2.239 25829 3872 1 9 . 1 1 405 405 LEU HA H 405 3.853 3.853 3.780 0.073 25829 3873 1 9 . 1 1 405 405 LEU CA C 405 56.591 56.591 57.998 -1.407 25829 3874 1 9 . 1 1 405 405 LEU CB C 405 41.000 41.000 41.640 -0.640 25829 3875 1 9 . 1 1 405 405 LEU H H 405 8.009 8.009 8.260 -0.251 25829 3876 1 9 . 1 1 406 406 ARG N N 406 118.300 118.300 118.273 0.027 25829 3877 1 9 . 1 1 406 406 ARG HA H 406 3.804 3.804 4.043 -0.239 25829 3878 1 9 . 1 1 406 406 ARG CA C 406 59.650 59.650 59.385 0.265 25829 3879 1 9 . 1 1 406 406 ARG CB C 406 29.300 29.300 29.711 -0.411 25829 3880 1 9 . 1 1 406 406 ARG H H 406 7.983 7.983 8.056 -0.073 25829 3881 1 9 . 1 1 407 407 ARG N N 407 120.307 120.307 118.633 1.674 25829 3882 1 9 . 1 1 407 407 ARG HA H 407 4.085 4.085 4.204 -0.119 25829 3883 1 9 . 1 1 407 407 ARG CA C 407 59.552 59.552 57.770 1.782 25829 3884 1 9 . 1 1 407 407 ARG CB C 407 29.700 29.700 29.524 0.176 25829 3885 1 9 . 1 1 407 407 ARG H H 407 7.916 7.916 7.530 0.386 25829 3886 1 9 . 1 1 408 408 ILE N N 408 110.637 110.637 112.759 -2.122 25829 3887 1 9 . 1 1 408 408 ILE HA H 408 4.530 4.530 4.377 0.153 25829 3888 1 9 . 1 1 408 408 ILE CA C 408 60.500 60.500 60.526 -0.026 25829 3889 1 9 . 1 1 408 408 ILE CB C 408 36.148 36.148 37.482 -1.334 25829 3890 1 9 . 1 1 408 408 ILE H H 408 7.274 7.274 7.210 0.064 25829 3891 1 9 . 1 1 409 409 GLN N N 409 113.647 113.647 117.006 -3.359 25829 3892 1 9 . 1 1 409 409 GLN HA H 409 3.962 3.962 4.022 -0.060 25829 3893 1 9 . 1 1 409 409 GLN CA C 409 56.289 56.289 57.356 -1.067 25829 3894 1 9 . 1 1 409 409 GLN CB C 409 24.550 24.550 26.023 -1.472 25829 3895 1 9 . 1 1 409 409 GLN H H 409 7.714 7.714 7.679 0.035 25829 3896 1 9 . 1 1 410 410 ARG N N 410 117.152 117.152 116.791 0.361 25829 3897 1 9 . 1 1 410 410 ARG HA H 410 5.039 5.039 4.777 0.262 25829 3898 1 9 . 1 1 410 410 ARG CA C 410 50.920 50.920 54.631 -3.711 25829 3899 1 9 . 1 1 410 410 ARG CB C 410 26.600 26.600 30.550 -3.950 25829 3900 1 9 . 1 1 410 410 ARG H H 410 8.029 8.029 8.118 -0.089 25829 3901 1 9 . 1 1 411 411 ALA N N 411 123.065 123.065 122.694 0.371 25829 3902 1 9 . 1 1 411 411 ALA HA H 411 3.854 3.854 3.924 -0.070 25829 3903 1 9 . 1 1 411 411 ALA CA C 411 54.287 54.287 55.361 -1.074 25829 3904 1 9 . 1 1 411 411 ALA CB C 411 17.691 17.691 18.445 -0.753 25829 3905 1 9 . 1 1 411 411 ALA H H 411 8.121 8.121 8.515 -0.394 25829 3906 1 9 . 1 1 412 412 ASP N N 412 116.575 116.575 117.704 -1.129 25829 3907 1 9 . 1 1 412 412 ASP HA H 412 4.251 4.251 4.266 -0.015 25829 3908 1 9 . 1 1 412 412 ASP CA C 412 55.566 55.566 56.792 -1.226 25829 3909 1 9 . 1 1 412 412 ASP CB C 412 38.000 38.000 39.541 -1.541 25829 3910 1 9 . 1 1 412 412 ASP H H 412 8.916 8.916 8.530 0.386 25829 3911 1 9 . 1 1 413 413 LEU N N 413 120.881 120.881 120.674 0.207 25829 3912 1 9 . 1 1 413 413 LEU HA H 413 4.134 4.134 4.191 -0.057 25829 3913 1 9 . 1 1 413 413 LEU CA C 413 56.251 56.251 56.545 -0.294 25829 3914 1 9 . 1 1 413 413 LEU CB C 413 41.190 41.190 42.173 -0.983 25829 3915 1 9 . 1 1 413 413 LEU H H 413 7.497 7.497 7.759 -0.262 25829 3916 1 9 . 1 1 414 414 VAL N N 414 117.403 117.403 119.620 -2.217 25829 3917 1 9 . 1 1 414 414 VAL HA H 414 3.475 3.475 3.508 -0.033 25829 3918 1 9 . 1 1 414 414 VAL CA C 414 65.682 65.682 67.271 -1.589 25829 3919 1 9 . 1 1 414 414 VAL CB C 414 31.000 31.000 31.334 -0.334 25829 3920 1 9 . 1 1 414 414 VAL H H 414 7.158 7.158 8.441 -1.283 25829 3921 1 9 . 1 1 415 415 GLU N N 415 118.645 118.645 119.541 -0.896 25829 3922 1 9 . 1 1 415 415 GLU HA H 415 3.957 3.957 3.969 -0.012 25829 3923 1 9 . 1 1 415 415 GLU CA C 415 58.698 58.698 59.769 -1.071 25829 3924 1 9 . 1 1 415 415 GLU CB C 415 28.535 28.535 29.505 -0.970 25829 3925 1 9 . 1 1 415 415 GLU H H 415 8.023 8.023 7.843 0.180 25829 3926 1 9 . 1 1 416 416 SER N N 416 113.570 113.570 113.337 0.233 25829 3927 1 9 . 1 1 416 416 SER HA H 416 4.230 4.230 4.324 -0.094 25829 3928 1 9 . 1 1 416 416 SER CA C 416 60.774 60.774 60.693 0.081 25829 3929 1 9 . 1 1 416 416 SER CB C 416 62.641 62.641 63.467 -0.826 25829 3930 1 9 . 1 1 416 416 SER H H 416 7.668 7.668 7.617 0.051 25829 3931 1 9 . 1 1 417 417 LEU N N 417 120.278 120.278 119.624 0.654 25829 3932 1 9 . 1 1 417 417 LEU HA H 417 4.220 4.220 4.746 -0.526 25829 3933 1 9 . 1 1 417 417 LEU CA C 417 55.974 55.974 55.542 0.432 25829 3934 1 9 . 1 1 417 417 LEU CB C 417 42.477 42.477 42.618 -0.141 25829 3935 1 9 . 1 1 417 417 LEU H H 417 7.727 7.727 7.531 0.196 25829 3936 1 9 . 1 1 418 418 CYS N N 418 116.200 116.200 119.535 -3.335 25829 3937 1 9 . 1 1 418 418 CYS HA H 418 4.490 4.490 4.202 0.288 25829 3938 1 9 . 1 1 418 418 CYS CA C 418 59.010 59.010 60.716 -1.706 25829 3939 1 9 . 1 1 418 418 CYS CB C 418 27.300 27.300 27.213 0.087 25829 3940 1 9 . 1 1 418 418 CYS H H 418 7.855 7.855 8.416 -0.561 25829 3941 1 9 . 1 1 419 419 SER N N 419 116.680 116.680 116.147 0.533 25829 3942 1 9 . 1 1 419 419 SER HA H 419 4.402 4.402 4.124 0.278 25829 3943 1 9 . 1 1 419 419 SER CA C 419 58.284 58.284 61.926 -3.642 25829 3944 1 9 . 1 1 419 419 SER CB C 419 63.179 63.179 63.319 -0.140 25829 3945 1 9 . 1 1 419 419 SER H H 419 7.813 7.813 7.820 -0.007 25829 3946 1 9 . 1 1 420 420 GLU N N 420 122.629 122.629 118.119 4.510 25829 3947 1 9 . 1 1 420 420 GLU HA H 420 4.338 4.338 4.349 -0.011 25829 3948 1 9 . 1 1 420 420 GLU CA C 420 56.021 56.021 57.648 -1.627 25829 3949 1 9 . 1 1 420 420 GLU CB C 420 29.569 29.569 29.420 0.149 25829 3950 1 9 . 1 1 420 420 GLU H H 420 8.456 8.456 8.419 0.037 25829 3951 1 9 . 1 1 421 421 SER N N 421 116.600 116.600 114.990 1.610 25829 3952 1 9 . 1 1 421 421 SER HA H 421 4.470 4.470 4.327 0.143 25829 3953 1 9 . 1 1 421 421 SER CA C 421 57.800 57.800 60.265 -2.465 25829 3954 1 9 . 1 1 421 421 SER CB C 421 63.180 63.180 63.522 -0.342 25829 3955 1 9 . 1 1 421 421 SER H H 421 8.321 8.321 7.832 0.489 25829 3956 1 9 . 1 1 422 422 THR N N 422 115.756 115.756 118.654 -2.898 25829 3957 1 9 . 1 1 422 422 THR HA H 422 4.331 4.331 4.490 -0.159 25829 3958 1 9 . 1 1 422 422 THR CA C 422 61.100 61.100 61.547 -0.447 25829 3959 1 9 . 1 1 422 422 THR CB C 422 69.000 69.000 69.058 -0.058 25829 3960 1 9 . 1 1 422 422 THR H H 422 8.144 8.144 7.862 0.282 25829 3961 1 9 . 1 1 423 423 ALA N N 423 126.280 126.280 127.547 -1.267 25829 3962 1 9 . 1 1 423 423 ALA HA H 423 4.369 4.369 4.175 0.194 25829 3963 1 9 . 1 1 423 423 ALA CA C 423 52.060 52.060 52.363 -0.303 25829 3964 1 9 . 1 1 423 423 ALA CB C 423 18.600 18.600 19.202 -0.602 25829 3965 1 9 . 1 1 423 423 ALA H H 423 8.233 8.233 8.135 0.098 25829 3966 1 9 . 1 1 424 424 THR N N 424 113.047 113.047 113.359 -0.312 25829 3967 1 9 . 1 1 424 424 THR HA H 424 4.316 4.316 4.110 0.206 25829 3968 1 9 . 1 1 424 424 THR CA C 424 60.990 60.990 62.597 -1.607 25829 3969 1 9 . 1 1 424 424 THR CB C 424 69.200 69.200 68.502 0.698 25829 3970 1 9 . 1 1 424 424 THR H H 424 8.061 8.061 8.100 -0.039 25829 3971 1 9 . 1 1 425 425 SER N N 425 119.479 119.479 119.556 -0.077 25829 3972 1 9 . 1 1 425 425 SER HA H 425 4.755 4.755 4.470 0.285 25829 3973 1 9 . 1 1 425 425 SER CA C 425 55.720 55.720 57.111 -1.391 25829 3974 1 9 . 1 1 425 425 SER CB C 425 62.800 62.800 63.262 -0.462 25829 3975 1 9 . 1 1 425 425 SER H H 425 8.215 8.215 8.192 0.023 25829 3976 1 9 . 1 1 426 426 PRO HA H 426 4.461 4.461 4.475 -0.014 25829 3977 1 9 . 1 1 426 426 PRO CA C 426 62.851 62.851 63.171 -0.320 25829 3978 1 9 . 1 1 426 426 PRO CB C 426 31.308 31.308 30.634 0.674 25829 3979 1 10 . 1 1 335 335 LEU N N 335 120.860 120.860 125.639 -4.779 25829 3980 1 10 . 1 1 335 335 LEU HA H 335 4.203 4.203 4.298 -0.095 25829 3981 1 10 . 1 1 335 335 LEU CA C 335 54.890 54.890 54.948 -0.058 25829 3982 1 10 . 1 1 335 335 LEU CB C 335 40.860 40.860 43.197 -2.337 25829 3983 1 10 . 1 1 335 335 LEU H H 335 8.289 8.289 8.439 -0.150 25829 3984 1 10 . 1 1 336 336 TYR N N 336 127.150 127.150 124.334 2.816 25829 3985 1 10 . 1 1 336 336 TYR HA H 336 4.042 4.042 4.206 -0.164 25829 3986 1 10 . 1 1 336 336 TYR CA C 336 61.360 61.360 61.266 0.094 25829 3987 1 10 . 1 1 336 336 TYR CB C 336 38.768 38.768 38.915 -0.147 25829 3988 1 10 . 1 1 336 336 TYR H H 336 9.027 9.027 8.963 0.064 25829 3989 1 10 . 1 1 337 337 SER N N 337 111.560 111.560 112.141 -0.581 25829 3990 1 10 . 1 1 337 337 SER HA H 337 3.926 3.926 4.141 -0.215 25829 3991 1 10 . 1 1 337 337 SER CA C 337 59.251 59.251 60.154 -0.903 25829 3992 1 10 . 1 1 337 337 SER CB C 337 62.235 62.235 62.605 -0.370 25829 3993 1 10 . 1 1 337 337 SER H H 337 9.318 9.318 8.516 0.802 25829 3994 1 10 . 1 1 338 338 SER N N 338 115.800 115.800 116.058 -0.258 25829 3995 1 10 . 1 1 338 338 SER HA H 338 4.465 4.465 4.364 0.101 25829 3996 1 10 . 1 1 338 338 SER CA C 338 58.120 58.120 58.878 -0.758 25829 3997 1 10 . 1 1 338 338 SER CB C 338 63.663 63.663 63.641 0.022 25829 3998 1 10 . 1 1 338 338 SER H H 338 7.459 7.459 7.706 -0.247 25829 3999 1 10 . 1 1 339 339 LEU N N 339 123.972 123.972 123.221 0.751 25829 4000 1 10 . 1 1 339 339 LEU HA H 339 4.366 4.366 4.283 0.083 25829 4001 1 10 . 1 1 339 339 LEU CA C 339 52.936 52.936 53.555 -0.619 25829 4002 1 10 . 1 1 339 339 LEU CB C 339 40.889 40.889 41.386 -0.497 25829 4003 1 10 . 1 1 339 339 LEU H H 339 7.520 7.520 7.188 0.332 25829 4004 1 10 . 1 1 340 340 PRO HA H 340 4.723 4.723 4.673 0.050 25829 4005 1 10 . 1 1 340 340 PRO CA C 340 60.800 60.800 61.310 -0.510 25829 4006 1 10 . 1 1 340 340 PRO CB C 340 27.300 27.300 31.159 -3.859 25829 4007 1 10 . 1 1 341 341 PRO HA H 341 3.971 3.971 4.195 -0.224 25829 4008 1 10 . 1 1 341 341 PRO CA C 341 65.204 65.204 65.545 -0.341 25829 4009 1 10 . 1 1 341 341 PRO CB C 341 31.100 31.100 31.523 -0.423 25829 4010 1 10 . 1 1 342 342 ALA N N 342 117.460 117.460 121.489 -4.029 25829 4011 1 10 . 1 1 342 342 ALA HA H 342 4.125 4.125 4.094 0.031 25829 4012 1 10 . 1 1 342 342 ALA CA C 342 54.529 54.529 55.125 -0.596 25829 4013 1 10 . 1 1 342 342 ALA CB C 342 17.700 17.700 18.180 -0.480 25829 4014 1 10 . 1 1 342 342 ALA H H 342 8.625 8.625 8.410 0.215 25829 4015 1 10 . 1 1 343 343 LYS N N 343 117.364 117.364 118.765 -1.401 25829 4016 1 10 . 1 1 343 343 LYS HA H 343 4.295 4.295 4.023 0.272 25829 4017 1 10 . 1 1 343 343 LYS CA C 343 56.167 56.167 59.119 -2.952 25829 4018 1 10 . 1 1 343 343 LYS CB C 343 30.889 30.889 31.961 -1.072 25829 4019 1 10 . 1 1 343 343 LYS H H 343 7.254 7.254 7.653 -0.399 25829 4020 1 10 . 1 1 344 344 ARG N N 344 118.680 118.680 118.339 0.341 25829 4021 1 10 . 1 1 344 344 ARG HA H 344 3.850 3.850 4.239 -0.389 25829 4022 1 10 . 1 1 344 344 ARG CA C 344 59.660 59.660 59.303 0.357 25829 4023 1 10 . 1 1 344 344 ARG CB C 344 29.300 29.300 30.052 -0.752 25829 4024 1 10 . 1 1 344 344 ARG H H 344 7.410 7.410 7.588 -0.178 25829 4025 1 10 . 1 1 345 345 GLU N N 345 118.035 118.035 119.277 -1.242 25829 4026 1 10 . 1 1 345 345 GLU HA H 345 3.926 3.926 4.058 -0.132 25829 4027 1 10 . 1 1 345 345 GLU CA C 345 58.720 58.720 59.728 -1.008 25829 4028 1 10 . 1 1 345 345 GLU CB C 345 28.600 28.600 29.413 -0.813 25829 4029 1 10 . 1 1 345 345 GLU H H 345 8.267 8.267 7.725 0.542 25829 4030 1 10 . 1 1 346 346 GLU N N 346 119.810 119.810 120.044 -0.234 25829 4031 1 10 . 1 1 346 346 GLU HA H 346 3.950 3.950 4.079 -0.129 25829 4032 1 10 . 1 1 346 346 GLU CA C 346 59.000 59.000 59.482 -0.482 25829 4033 1 10 . 1 1 346 346 GLU CB C 346 29.113 29.113 29.496 -0.383 25829 4034 1 10 . 1 1 346 346 GLU H H 346 7.444 7.444 8.033 -0.589 25829 4035 1 10 . 1 1 347 347 VAL N N 347 119.540 119.540 117.527 2.013 25829 4036 1 10 . 1 1 347 347 VAL HA H 347 3.470 3.470 3.750 -0.280 25829 4037 1 10 . 1 1 347 347 VAL CA C 347 66.267 66.267 66.726 -0.459 25829 4038 1 10 . 1 1 347 347 VAL CB C 347 30.800 30.800 31.100 -0.300 25829 4039 1 10 . 1 1 347 347 VAL H H 347 7.938 7.938 8.609 -0.671 25829 4040 1 10 . 1 1 348 348 GLU N N 348 118.250 118.250 119.260 -1.010 25829 4041 1 10 . 1 1 348 348 GLU HA H 348 3.513 3.513 4.161 -0.648 25829 4042 1 10 . 1 1 348 348 GLU CA C 348 59.609 59.609 59.152 0.457 25829 4043 1 10 . 1 1 348 348 GLU CB C 348 28.620 28.620 29.526 -0.906 25829 4044 1 10 . 1 1 348 348 GLU H H 348 8.094 8.094 7.609 0.485 25829 4045 1 10 . 1 1 349 349 LYS N N 349 118.860 118.860 119.975 -1.115 25829 4046 1 10 . 1 1 349 349 LYS HA H 349 3.948 3.948 4.041 -0.093 25829 4047 1 10 . 1 1 349 349 LYS CA C 349 59.000 59.000 59.778 -0.778 25829 4048 1 10 . 1 1 349 349 LYS CB C 349 31.809 31.809 32.649 -0.840 25829 4049 1 10 . 1 1 349 349 LYS H H 349 8.319 8.319 8.284 0.035 25829 4050 1 10 . 1 1 350 350 LEU N N 350 120.820 120.820 118.164 2.656 25829 4051 1 10 . 1 1 350 350 LEU HA H 350 4.050 4.050 4.164 -0.114 25829 4052 1 10 . 1 1 350 350 LEU CA C 350 56.954 56.954 57.620 -0.666 25829 4053 1 10 . 1 1 350 350 LEU CB C 350 41.300 41.300 41.987 -0.687 25829 4054 1 10 . 1 1 350 350 LEU H H 350 8.020 8.020 8.342 -0.322 25829 4055 1 10 . 1 1 351 351 LEU N N 351 117.800 117.800 119.355 -1.555 25829 4056 1 10 . 1 1 351 351 LEU HA H 351 4.020 4.020 3.987 0.033 25829 4057 1 10 . 1 1 351 351 LEU CA C 351 56.700 56.700 57.384 -0.684 25829 4058 1 10 . 1 1 351 351 LEU CB C 351 41.470 41.470 41.492 -0.022 25829 4059 1 10 . 1 1 351 351 LEU H H 351 8.205 8.205 7.493 0.712 25829 4060 1 10 . 1 1 352 352 ASN N N 352 118.847 118.847 116.407 2.440 25829 4061 1 10 . 1 1 352 352 ASN HA H 352 4.487 4.487 4.559 -0.072 25829 4062 1 10 . 1 1 352 352 ASN CA C 352 54.980 54.980 55.401 -0.421 25829 4063 1 10 . 1 1 352 352 ASN CB C 352 38.660 38.660 38.642 0.018 25829 4064 1 10 . 1 1 352 352 ASN H H 352 8.613 8.613 7.966 0.647 25829 4065 1 10 . 1 1 353 353 GLY N N 353 104.836 104.836 104.828 0.008 25829 4066 1 10 . 1 1 353 353 GLY CA C 353 45.100 45.100 44.884 0.216 25829 4067 1 10 . 1 1 353 353 GLY H H 353 7.803 7.803 7.469 0.334 25829 4068 1 10 . 1 1 354 354 SER N N 354 115.370 115.370 116.749 -1.379 25829 4069 1 10 . 1 1 354 354 SER HA H 354 4.530 4.530 4.629 -0.099 25829 4070 1 10 . 1 1 354 354 SER CA C 354 58.317 58.317 56.068 2.249 25829 4071 1 10 . 1 1 354 354 SER CB C 354 63.678 63.678 62.510 1.168 25829 4072 1 10 . 1 1 354 354 SER H H 354 7.567 7.567 7.523 0.044 25829 4073 1 10 . 1 1 355 355 ALA N N 355 124.206 124.206 131.581 -7.375 25829 4074 1 10 . 1 1 355 355 ALA HA H 355 4.455 4.455 3.950 0.505 25829 4075 1 10 . 1 1 355 355 ALA CA C 355 51.960 51.960 53.910 -1.950 25829 4076 1 10 . 1 1 355 355 ALA CB C 355 18.545 18.545 17.819 0.726 25829 4077 1 10 . 1 1 355 355 ALA H H 355 8.334 8.334 8.873 -0.539 25829 4078 1 10 . 1 1 356 356 GLY N N 356 108.886 108.886 105.734 3.152 25829 4079 1 10 . 1 1 356 356 GLY CA C 356 46.340 46.340 45.201 1.139 25829 4080 1 10 . 1 1 356 356 GLY H H 356 8.613 8.613 8.439 0.174 25829 4081 1 10 . 1 1 357 357 ASP N N 357 119.161 119.161 119.851 -0.690 25829 4082 1 10 . 1 1 357 357 ASP HA H 357 4.490 4.490 4.360 0.130 25829 4083 1 10 . 1 1 357 357 ASP CA C 357 53.700 53.700 53.859 -0.159 25829 4084 1 10 . 1 1 357 357 ASP CB C 357 39.418 39.418 40.116 -0.698 25829 4085 1 10 . 1 1 357 357 ASP H H 357 8.534 8.534 8.110 0.424 25829 4086 1 10 . 1 1 358 358 THR N N 358 116.000 116.000 116.219 -0.219 25829 4087 1 10 . 1 1 358 358 THR HA H 358 3.855 3.855 3.719 0.136 25829 4088 1 10 . 1 1 358 358 THR CA C 358 66.123 66.123 67.269 -1.146 25829 4089 1 10 . 1 1 358 358 THR CB C 358 67.860 67.860 68.722 -0.862 25829 4090 1 10 . 1 1 358 358 THR H H 358 7.864 7.864 8.015 -0.151 25829 4091 1 10 . 1 1 359 359 TRP N N 359 118.670 118.670 119.459 -0.789 25829 4092 1 10 . 1 1 359 359 TRP HA H 359 3.930 3.930 4.186 -0.256 25829 4093 1 10 . 1 1 359 359 TRP CA C 359 59.500 59.500 58.951 0.549 25829 4094 1 10 . 1 1 359 359 TRP CB C 359 26.859 26.859 27.651 -0.792 25829 4095 1 10 . 1 1 359 359 TRP H H 359 8.287 8.287 8.154 0.133 25829 4096 1 10 . 1 1 360 360 ARG N N 360 122.263 122.263 120.119 2.144 25829 4097 1 10 . 1 1 360 360 ARG HA H 360 2.995 2.995 3.390 -0.395 25829 4098 1 10 . 1 1 360 360 ARG CA C 360 58.797 58.797 59.127 -0.330 25829 4099 1 10 . 1 1 360 360 ARG CB C 360 28.650 28.650 29.312 -0.662 25829 4100 1 10 . 1 1 360 360 ARG H H 360 6.341 6.341 6.876 -0.535 25829 4101 1 10 . 1 1 361 361 HIS N N 361 120.604 120.604 118.121 2.483 25829 4102 1 10 . 1 1 361 361 HIS HA H 361 4.379 4.379 4.280 0.099 25829 4103 1 10 . 1 1 361 361 HIS CA C 361 57.124 57.124 58.876 -1.752 25829 4104 1 10 . 1 1 361 361 HIS CB C 361 29.551 29.551 30.020 -0.469 25829 4105 1 10 . 1 1 361 361 HIS H H 361 7.370 7.370 7.578 -0.208 25829 4106 1 10 . 1 1 362 362 LEU N N 362 120.734 120.734 120.407 0.327 25829 4107 1 10 . 1 1 362 362 LEU HA H 362 3.750 3.750 3.864 -0.114 25829 4108 1 10 . 1 1 362 362 LEU CA C 362 57.153 57.153 57.935 -0.782 25829 4109 1 10 . 1 1 362 362 LEU CB C 362 40.886 40.886 41.613 -0.727 25829 4110 1 10 . 1 1 362 362 LEU H H 362 8.365 8.365 7.845 0.520 25829 4111 1 10 . 1 1 363 363 ALA N N 363 118.919 118.919 120.725 -1.806 25829 4112 1 10 . 1 1 363 363 ALA HA H 363 3.824 3.824 3.893 -0.069 25829 4113 1 10 . 1 1 363 363 ALA CA C 363 54.910 54.910 55.464 -0.554 25829 4114 1 10 . 1 1 363 363 ALA CB C 363 18.000 18.000 17.954 0.046 25829 4115 1 10 . 1 1 363 363 ALA H H 363 8.384 8.384 8.396 -0.012 25829 4116 1 10 . 1 1 364 364 GLY N N 364 103.970 103.970 106.009 -2.039 25829 4117 1 10 . 1 1 364 364 GLY CA C 364 46.452 46.452 47.092 -0.640 25829 4118 1 10 . 1 1 364 364 GLY H H 364 7.679 7.679 7.728 -0.049 25829 4119 1 10 . 1 1 365 365 GLU N N 365 122.387 122.387 119.951 2.436 25829 4120 1 10 . 1 1 365 365 GLU HA H 365 4.250 4.250 4.269 -0.019 25829 4121 1 10 . 1 1 365 365 GLU CA C 365 57.100 57.100 57.486 -0.386 25829 4122 1 10 . 1 1 365 365 GLU CB C 365 29.043 29.043 29.352 -0.309 25829 4123 1 10 . 1 1 365 365 GLU H H 365 7.724 7.724 7.710 0.014 25829 4124 1 10 . 1 1 366 366 LEU N N 366 117.748 117.748 117.528 0.220 25829 4125 1 10 . 1 1 366 366 LEU HA H 366 4.329 4.329 4.322 0.007 25829 4126 1 10 . 1 1 366 366 LEU CA C 366 53.898 53.898 55.092 -1.194 25829 4127 1 10 . 1 1 366 366 LEU CB C 366 40.569 40.569 42.038 -1.468 25829 4128 1 10 . 1 1 366 366 LEU H H 366 7.813 7.813 8.249 -0.436 25829 4129 1 10 . 1 1 367 367 GLY N N 367 105.744 105.744 105.547 0.197 25829 4130 1 10 . 1 1 367 367 GLY CA C 367 44.900 44.900 45.134 -0.234 25829 4131 1 10 . 1 1 367 367 GLY H H 367 7.636 7.636 7.380 0.256 25829 4132 1 10 . 1 1 368 368 TYR N N 368 119.550 119.550 120.135 -0.585 25829 4133 1 10 . 1 1 368 368 TYR HA H 368 4.450 4.450 4.309 0.141 25829 4134 1 10 . 1 1 368 368 TYR CA C 368 58.960 58.960 59.045 -0.085 25829 4135 1 10 . 1 1 368 368 TYR CB C 368 37.990 37.990 39.075 -1.085 25829 4136 1 10 . 1 1 368 368 TYR H H 368 7.958 7.958 7.866 0.092 25829 4137 1 10 . 1 1 369 369 GLN N N 369 123.108 123.108 123.254 -0.146 25829 4138 1 10 . 1 1 369 369 GLN HA H 369 4.600 4.600 4.417 0.183 25829 4139 1 10 . 1 1 369 369 GLN CA C 369 53.400 53.400 55.760 -2.360 25829 4140 1 10 . 1 1 369 369 GLN CB C 369 27.110 27.110 28.782 -1.672 25829 4141 1 10 . 1 1 369 369 GLN H H 369 9.767 9.767 8.655 1.112 25829 4142 1 10 . 1 1 370 370 PRO HA H 370 4.057 4.057 4.350 -0.293 25829 4143 1 10 . 1 1 370 370 PRO CA C 370 66.262 66.262 65.374 0.888 25829 4144 1 10 . 1 1 370 370 PRO CB C 370 31.384 31.384 31.991 -0.607 25829 4145 1 10 . 1 1 371 371 GLU N N 371 116.204 116.204 117.579 -1.375 25829 4146 1 10 . 1 1 371 371 GLU HA H 371 4.111 4.111 4.005 0.106 25829 4147 1 10 . 1 1 371 371 GLU CA C 371 58.661 58.661 59.578 -0.917 25829 4148 1 10 . 1 1 371 371 GLU CB C 371 27.741 27.741 28.030 -0.289 25829 4149 1 10 . 1 1 371 371 GLU H H 371 9.493 9.493 8.968 0.525 25829 4150 1 10 . 1 1 372 372 HIS N N 372 120.310 120.310 119.146 1.164 25829 4151 1 10 . 1 1 372 372 HIS HA H 372 4.425 4.425 4.259 0.166 25829 4152 1 10 . 1 1 372 372 HIS CA C 372 57.070 57.070 59.629 -2.559 25829 4153 1 10 . 1 1 372 372 HIS CB C 372 31.818 31.818 30.302 1.516 25829 4154 1 10 . 1 1 372 372 HIS H H 372 7.424 7.424 7.648 -0.224 25829 4155 1 10 . 1 1 373 373 ILE N N 373 120.390 120.390 120.478 -0.088 25829 4156 1 10 . 1 1 373 373 ILE HA H 373 3.708 3.708 4.059 -0.351 25829 4157 1 10 . 1 1 373 373 ILE CA C 373 65.480 65.480 65.835 -0.355 25829 4158 1 10 . 1 1 373 373 ILE CB C 373 37.329 37.329 37.850 -0.521 25829 4159 1 10 . 1 1 373 373 ILE H H 373 7.950 7.950 7.729 0.221 25829 4160 1 10 . 1 1 374 374 ASP N N 374 117.990 117.990 120.730 -2.740 25829 4161 1 10 . 1 1 374 374 ASP HA H 374 4.508 4.508 4.546 -0.038 25829 4162 1 10 . 1 1 374 374 ASP CA C 374 56.504 56.504 57.416 -0.912 25829 4163 1 10 . 1 1 374 374 ASP CB C 374 40.175 40.175 40.395 -0.220 25829 4164 1 10 . 1 1 374 374 ASP H H 374 8.142 8.142 8.040 0.102 25829 4165 1 10 . 1 1 375 375 SER N N 375 115.373 115.373 115.188 0.185 25829 4166 1 10 . 1 1 375 375 SER HA H 375 4.207 4.207 4.119 0.088 25829 4167 1 10 . 1 1 375 375 SER CA C 375 60.962 60.962 60.865 0.097 25829 4168 1 10 . 1 1 375 375 SER CB C 375 61.999 61.999 63.126 -1.127 25829 4169 1 10 . 1 1 375 375 SER H H 375 7.485 7.485 8.093 -0.608 25829 4170 1 10 . 1 1 376 376 PHE N N 376 120.335 120.335 117.072 3.263 25829 4171 1 10 . 1 1 376 376 PHE HA H 376 4.503 4.503 4.473 0.030 25829 4172 1 10 . 1 1 376 376 PHE CA C 376 58.170 58.170 58.779 -0.609 25829 4173 1 10 . 1 1 376 376 PHE CB C 376 37.729 37.729 39.290 -1.561 25829 4174 1 10 . 1 1 376 376 PHE H H 376 7.787 7.787 7.844 -0.057 25829 4175 1 10 . 1 1 377 377 THR N N 377 110.175 110.175 113.556 -3.381 25829 4176 1 10 . 1 1 377 377 THR HA H 377 3.908 3.908 4.324 -0.416 25829 4177 1 10 . 1 1 377 377 THR CA C 377 64.888 64.888 65.770 -0.882 25829 4178 1 10 . 1 1 377 377 THR CB C 377 68.990 68.990 68.537 0.452 25829 4179 1 10 . 1 1 377 377 THR H H 377 7.777 7.777 8.707 -0.930 25829 4180 1 10 . 1 1 378 378 HIS N N 378 116.164 116.164 119.903 -3.739 25829 4181 1 10 . 1 1 378 378 HIS HA H 378 4.630 4.630 4.697 -0.067 25829 4182 1 10 . 1 1 378 378 HIS CA C 378 55.189 55.189 56.841 -1.652 25829 4183 1 10 . 1 1 378 378 HIS CB C 378 28.700 28.700 30.492 -1.792 25829 4184 1 10 . 1 1 378 378 HIS H H 378 7.473 7.473 7.968 -0.495 25829 4185 1 10 . 1 1 379 379 GLU N N 379 119.465 119.465 120.578 -1.113 25829 4186 1 10 . 1 1 379 379 GLU HA H 379 4.194 4.194 4.442 -0.248 25829 4187 1 10 . 1 1 379 379 GLU CA C 379 54.632 54.632 55.301 -0.669 25829 4188 1 10 . 1 1 379 379 GLU CB C 379 29.247 29.247 31.552 -2.305 25829 4189 1 10 . 1 1 379 379 GLU H H 379 7.229 7.229 7.630 -0.401 25829 4190 1 10 . 1 1 380 380 ALA N N 380 123.121 123.121 125.918 -2.797 25829 4191 1 10 . 1 1 380 380 ALA HA H 380 3.983 3.983 4.211 -0.228 25829 4192 1 10 . 1 1 380 380 ALA CA C 380 54.134 54.134 53.606 0.528 25829 4193 1 10 . 1 1 380 380 ALA CB C 380 17.480 17.480 18.829 -1.349 25829 4194 1 10 . 1 1 380 380 ALA H H 380 8.624 8.624 8.412 0.212 25829 4195 1 10 . 1 1 381 381 CYS N N 381 114.618 114.618 117.419 -2.801 25829 4196 1 10 . 1 1 381 381 CYS HA H 381 4.650 4.650 4.721 -0.070 25829 4197 1 10 . 1 1 381 381 CYS CA C 381 54.700 54.700 55.956 -1.256 25829 4198 1 10 . 1 1 381 381 CYS CB C 381 26.580 26.580 28.006 -1.426 25829 4199 1 10 . 1 1 381 381 CYS H H 381 7.962 7.962 7.997 -0.035 25829 4200 1 10 . 1 1 382 382 PRO HA H 382 3.530 3.530 4.182 -0.652 25829 4201 1 10 . 1 1 382 382 PRO CA C 382 65.150 65.150 64.675 0.475 25829 4202 1 10 . 1 1 382 382 PRO CB C 382 30.400 30.400 31.121 -0.721 25829 4203 1 10 . 1 1 383 383 VAL N N 383 114.288 114.288 119.172 -4.884 25829 4204 1 10 . 1 1 383 383 VAL HA H 383 3.250 3.250 3.312 -0.062 25829 4205 1 10 . 1 1 383 383 VAL CA C 383 65.300 65.300 65.346 -0.046 25829 4206 1 10 . 1 1 383 383 VAL CB C 383 30.489 30.489 31.410 -0.921 25829 4207 1 10 . 1 1 383 383 VAL H H 383 7.935 7.935 7.470 0.465 25829 4208 1 10 . 1 1 384 384 ARG N N 384 120.700 120.700 119.510 1.190 25829 4209 1 10 . 1 1 384 384 ARG HA H 384 3.782 3.782 4.147 -0.365 25829 4210 1 10 . 1 1 384 384 ARG CA C 384 58.700 58.700 59.073 -0.373 25829 4211 1 10 . 1 1 384 384 ARG CB C 384 29.545 29.545 29.660 -0.115 25829 4212 1 10 . 1 1 384 384 ARG H H 384 7.253 7.253 7.464 -0.211 25829 4213 1 10 . 1 1 385 385 ALA N N 385 121.849 121.849 122.498 -0.649 25829 4214 1 10 . 1 1 385 385 ALA HA H 385 4.010 4.010 4.112 -0.102 25829 4215 1 10 . 1 1 385 385 ALA CA C 385 54.015 54.015 54.736 -0.722 25829 4216 1 10 . 1 1 385 385 ALA CB C 385 17.600 17.600 18.065 -0.465 25829 4217 1 10 . 1 1 385 385 ALA H H 385 7.371 7.371 7.375 -0.004 25829 4218 1 10 . 1 1 386 386 LEU N N 386 120.978 120.978 119.923 1.055 25829 4219 1 10 . 1 1 386 386 LEU HA H 386 2.817 2.817 3.608 -0.791 25829 4220 1 10 . 1 1 386 386 LEU CA C 386 56.800 56.800 57.746 -0.946 25829 4221 1 10 . 1 1 386 386 LEU CB C 386 40.600 40.600 41.589 -0.989 25829 4222 1 10 . 1 1 386 386 LEU H H 386 7.999 7.999 8.008 -0.009 25829 4223 1 10 . 1 1 387 387 LEU N N 387 117.377 117.377 118.264 -0.887 25829 4224 1 10 . 1 1 387 387 LEU HA H 387 4.040 4.040 3.881 0.159 25829 4225 1 10 . 1 1 387 387 LEU CA C 387 57.390 57.390 57.878 -0.488 25829 4226 1 10 . 1 1 387 387 LEU CB C 387 40.200 40.200 41.295 -1.095 25829 4227 1 10 . 1 1 387 387 LEU H H 387 7.973 7.973 7.725 0.248 25829 4228 1 10 . 1 1 388 388 ALA N N 388 120.700 120.700 122.148 -1.448 25829 4229 1 10 . 1 1 388 388 ALA HA H 388 4.110 4.110 4.043 0.067 25829 4230 1 10 . 1 1 388 388 ALA CA C 388 54.162 54.162 55.181 -1.019 25829 4231 1 10 . 1 1 388 388 ALA CB C 388 17.437 17.437 18.190 -0.753 25829 4232 1 10 . 1 1 388 388 ALA H H 388 8.086 8.086 8.021 0.065 25829 4233 1 10 . 1 1 389 389 SER N N 389 111.963 111.963 114.335 -2.372 25829 4234 1 10 . 1 1 389 389 SER HA H 389 4.386 4.386 4.356 0.030 25829 4235 1 10 . 1 1 389 389 SER CA C 389 59.878 59.878 61.088 -1.210 25829 4236 1 10 . 1 1 389 389 SER CB C 389 62.639 62.639 63.534 -0.895 25829 4237 1 10 . 1 1 389 389 SER H H 389 7.446 7.446 8.212 -0.766 25829 4238 1 10 . 1 1 390 390 TRP N N 390 125.600 125.600 125.068 0.532 25829 4239 1 10 . 1 1 390 390 TRP HA H 390 4.319 4.319 4.562 -0.243 25829 4240 1 10 . 1 1 390 390 TRP CA C 390 60.946 60.946 61.049 -0.103 25829 4241 1 10 . 1 1 390 390 TRP CB C 390 27.482 27.482 29.376 -1.894 25829 4242 1 10 . 1 1 390 390 TRP H H 390 9.032 9.032 8.752 0.280 25829 4243 1 10 . 1 1 391 391 ALA N N 391 114.481 114.481 118.748 -4.267 25829 4244 1 10 . 1 1 391 391 ALA HA H 391 3.583 3.583 4.146 -0.563 25829 4245 1 10 . 1 1 391 391 ALA CA C 391 52.859 52.859 53.892 -1.034 25829 4246 1 10 . 1 1 391 391 ALA CB C 391 18.590 18.590 18.162 0.428 25829 4247 1 10 . 1 1 391 391 ALA H H 391 8.312 8.312 8.038 0.274 25829 4248 1 10 . 1 1 392 392 THR N N 392 106.369 106.369 113.152 -6.783 25829 4249 1 10 . 1 1 392 392 THR HA H 392 4.196 4.196 4.200 -0.004 25829 4250 1 10 . 1 1 392 392 THR CA C 392 62.128 62.128 63.980 -1.852 25829 4251 1 10 . 1 1 392 392 THR CB C 392 69.100 69.100 69.199 -0.099 25829 4252 1 10 . 1 1 392 392 THR H H 392 7.238 7.238 7.623 -0.385 25829 4253 1 10 . 1 1 393 393 GLN N N 393 121.193 121.193 119.089 2.104 25829 4254 1 10 . 1 1 393 393 GLN HA H 393 4.295 4.295 4.596 -0.301 25829 4255 1 10 . 1 1 393 393 GLN CA C 393 54.971 54.971 54.245 0.726 25829 4256 1 10 . 1 1 393 393 GLN CB C 393 29.130 29.130 31.445 -2.315 25829 4257 1 10 . 1 1 393 393 GLN H H 393 7.701 7.701 7.512 0.189 25829 4258 1 10 . 1 1 394 394 ASP N N 394 121.430 121.430 121.878 -0.448 25829 4259 1 10 . 1 1 394 394 ASP HA H 394 4.260 4.260 4.343 -0.083 25829 4260 1 10 . 1 1 394 394 ASP CA C 394 55.700 55.700 56.315 -0.615 25829 4261 1 10 . 1 1 394 394 ASP CB C 394 39.700 39.700 40.579 -0.879 25829 4262 1 10 . 1 1 394 394 ASP H H 394 8.623 8.623 8.690 -0.067 25829 4263 1 10 . 1 1 395 395 SER N N 395 108.500 108.500 114.227 -5.727 25829 4264 1 10 . 1 1 395 395 SER HA H 395 4.293 4.293 4.180 0.113 25829 4265 1 10 . 1 1 395 395 SER CA C 395 56.340 56.340 59.413 -3.073 25829 4266 1 10 . 1 1 395 395 SER CB C 395 62.319 62.319 62.925 -0.606 25829 4267 1 10 . 1 1 395 395 SER H H 395 7.437 7.437 7.991 -0.554 25829 4268 1 10 . 1 1 396 396 ALA N N 396 127.500 127.500 124.737 2.763 25829 4269 1 10 . 1 1 396 396 ALA HA H 396 3.974 3.974 2.029 1.945 25829 4270 1 10 . 1 1 396 396 ALA CA C 396 51.617 51.617 50.543 1.074 25829 4271 1 10 . 1 1 396 396 ALA CB C 396 15.670 15.670 17.131 -1.461 25829 4272 1 10 . 1 1 396 396 ALA H H 396 7.077 7.077 7.214 -0.137 25829 4273 1 10 . 1 1 397 397 THR N N 397 115.344 115.344 112.283 3.061 25829 4274 1 10 . 1 1 397 397 THR HA H 397 4.760 4.760 4.386 0.374 25829 4275 1 10 . 1 1 397 397 THR CA C 397 58.900 58.900 61.778 -2.877 25829 4276 1 10 . 1 1 397 397 THR CB C 397 70.600 70.600 70.768 -0.168 25829 4277 1 10 . 1 1 397 397 THR H H 397 7.802 7.802 7.532 0.270 25829 4278 1 10 . 1 1 398 398 LEU N N 398 122.107 122.107 125.660 -3.553 25829 4279 1 10 . 1 1 398 398 LEU HA H 398 4.402 4.402 4.179 0.223 25829 4280 1 10 . 1 1 398 398 LEU CA C 398 57.949 57.949 58.698 -0.749 25829 4281 1 10 . 1 1 398 398 LEU CB C 398 40.435 40.435 41.169 -0.734 25829 4282 1 10 . 1 1 398 398 LEU H H 398 8.686 8.686 9.170 -0.484 25829 4283 1 10 . 1 1 399 399 ASP N N 399 116.774 116.774 119.162 -2.388 25829 4284 1 10 . 1 1 399 399 ASP HA H 399 4.340 4.340 4.350 -0.010 25829 4285 1 10 . 1 1 399 399 ASP CA C 399 57.209 57.209 57.734 -0.525 25829 4286 1 10 . 1 1 399 399 ASP CB C 399 39.800 39.800 40.683 -0.883 25829 4287 1 10 . 1 1 399 399 ASP H H 399 8.592 8.592 8.478 0.114 25829 4288 1 10 . 1 1 400 400 ALA N N 400 123.457 123.457 122.026 1.431 25829 4289 1 10 . 1 1 400 400 ALA HA H 400 4.265 4.265 4.330 -0.065 25829 4290 1 10 . 1 1 400 400 ALA CA C 400 54.429 54.429 54.920 -0.491 25829 4291 1 10 . 1 1 400 400 ALA CB C 400 17.800 17.800 18.762 -0.962 25829 4292 1 10 . 1 1 400 400 ALA H H 400 8.285 8.285 7.752 0.533 25829 4293 1 10 . 1 1 401 401 LEU N N 401 121.963 121.963 120.758 1.205 25829 4294 1 10 . 1 1 401 401 LEU HA H 401 3.774 3.774 3.885 -0.111 25829 4295 1 10 . 1 1 401 401 LEU CA C 401 57.306 57.306 57.936 -0.630 25829 4296 1 10 . 1 1 401 401 LEU CB C 401 40.560 40.560 42.224 -1.664 25829 4297 1 10 . 1 1 401 401 LEU H H 401 7.952 7.952 8.123 -0.172 25829 4298 1 10 . 1 1 402 402 LEU N N 402 117.440 117.440 118.043 -0.603 25829 4299 1 10 . 1 1 402 402 LEU HA H 402 3.837 3.837 3.883 -0.046 25829 4300 1 10 . 1 1 402 402 LEU CA C 402 57.400 57.400 57.930 -0.530 25829 4301 1 10 . 1 1 402 402 LEU CB C 402 39.700 39.700 41.294 -1.594 25829 4302 1 10 . 1 1 402 402 LEU H H 402 8.633 8.633 8.701 -0.068 25829 4303 1 10 . 1 1 403 403 ALA N N 403 119.971 119.971 121.522 -1.551 25829 4304 1 10 . 1 1 403 403 ALA HA H 403 3.993 3.993 3.942 0.051 25829 4305 1 10 . 1 1 403 403 ALA CA C 403 54.500 54.500 55.104 -0.604 25829 4306 1 10 . 1 1 403 403 ALA CB C 403 17.200 17.200 17.941 -0.741 25829 4307 1 10 . 1 1 403 403 ALA H H 403 8.132 8.132 7.628 0.504 25829 4308 1 10 . 1 1 404 404 ALA N N 404 121.297 121.297 121.360 -0.063 25829 4309 1 10 . 1 1 404 404 ALA HA H 404 3.815 3.815 3.979 -0.164 25829 4310 1 10 . 1 1 404 404 ALA CA C 404 54.800 54.800 54.712 0.089 25829 4311 1 10 . 1 1 404 404 ALA CB C 404 18.100 18.100 18.505 -0.405 25829 4312 1 10 . 1 1 404 404 ALA H H 404 7.610 7.610 7.651 -0.041 25829 4313 1 10 . 1 1 405 405 LEU N N 405 116.480 116.480 118.987 -2.507 25829 4314 1 10 . 1 1 405 405 LEU HA H 405 3.853 3.853 3.820 0.033 25829 4315 1 10 . 1 1 405 405 LEU CA C 405 56.591 56.591 57.994 -1.403 25829 4316 1 10 . 1 1 405 405 LEU CB C 405 41.000 41.000 41.648 -0.648 25829 4317 1 10 . 1 1 405 405 LEU H H 405 8.009 8.009 8.391 -0.382 25829 4318 1 10 . 1 1 406 406 ARG N N 406 118.300 118.300 118.746 -0.446 25829 4319 1 10 . 1 1 406 406 ARG HA H 406 3.804 3.804 4.022 -0.218 25829 4320 1 10 . 1 1 406 406 ARG CA C 406 59.650 59.650 58.916 0.734 25829 4321 1 10 . 1 1 406 406 ARG CB C 406 29.300 29.300 29.673 -0.373 25829 4322 1 10 . 1 1 406 406 ARG H H 406 7.983 7.983 8.068 -0.085 25829 4323 1 10 . 1 1 407 407 ARG N N 407 120.307 120.307 119.211 1.096 25829 4324 1 10 . 1 1 407 407 ARG HA H 407 4.085 4.085 4.139 -0.054 25829 4325 1 10 . 1 1 407 407 ARG CA C 407 59.552 59.552 58.248 1.304 25829 4326 1 10 . 1 1 407 407 ARG CB C 407 29.700 29.700 29.745 -0.045 25829 4327 1 10 . 1 1 407 407 ARG H H 407 7.916 7.916 7.744 0.172 25829 4328 1 10 . 1 1 408 408 ILE N N 408 110.637 110.637 112.653 -2.016 25829 4329 1 10 . 1 1 408 408 ILE HA H 408 4.530 4.530 4.435 0.095 25829 4330 1 10 . 1 1 408 408 ILE CA C 408 60.500 60.500 60.321 0.179 25829 4331 1 10 . 1 1 408 408 ILE CB C 408 36.148 36.148 37.364 -1.216 25829 4332 1 10 . 1 1 408 408 ILE H H 408 7.274 7.274 7.272 0.002 25829 4333 1 10 . 1 1 409 409 GLN N N 409 113.647 113.647 116.207 -2.560 25829 4334 1 10 . 1 1 409 409 GLN HA H 409 3.962 3.962 3.968 -0.006 25829 4335 1 10 . 1 1 409 409 GLN CA C 409 56.289 56.289 57.259 -0.970 25829 4336 1 10 . 1 1 409 409 GLN CB C 409 24.550 24.550 26.027 -1.477 25829 4337 1 10 . 1 1 409 409 GLN H H 409 7.714 7.714 7.636 0.078 25829 4338 1 10 . 1 1 410 410 ARG N N 410 117.152 117.152 117.413 -0.261 25829 4339 1 10 . 1 1 410 410 ARG HA H 410 5.039 5.039 4.801 0.238 25829 4340 1 10 . 1 1 410 410 ARG CA C 410 50.920 50.920 53.922 -3.002 25829 4341 1 10 . 1 1 410 410 ARG CB C 410 26.600 26.600 30.284 -3.684 25829 4342 1 10 . 1 1 410 410 ARG H H 410 8.029 8.029 8.133 -0.104 25829 4343 1 10 . 1 1 411 411 ALA N N 411 123.065 123.065 122.874 0.191 25829 4344 1 10 . 1 1 411 411 ALA HA H 411 3.854 3.854 3.897 -0.043 25829 4345 1 10 . 1 1 411 411 ALA CA C 411 54.287 54.287 55.525 -1.238 25829 4346 1 10 . 1 1 411 411 ALA CB C 411 17.691 17.691 18.538 -0.848 25829 4347 1 10 . 1 1 411 411 ALA H H 411 8.121 8.121 8.439 -0.318 25829 4348 1 10 . 1 1 412 412 ASP N N 412 116.575 116.575 117.933 -1.358 25829 4349 1 10 . 1 1 412 412 ASP HA H 412 4.251 4.251 4.301 -0.050 25829 4350 1 10 . 1 1 412 412 ASP CA C 412 55.566 55.566 56.540 -0.974 25829 4351 1 10 . 1 1 412 412 ASP CB C 412 38.000 38.000 39.628 -1.628 25829 4352 1 10 . 1 1 412 412 ASP H H 412 8.916 8.916 8.417 0.499 25829 4353 1 10 . 1 1 413 413 LEU N N 413 120.881 120.881 120.956 -0.075 25829 4354 1 10 . 1 1 413 413 LEU HA H 413 4.134 4.134 4.036 0.098 25829 4355 1 10 . 1 1 413 413 LEU CA C 413 56.251 56.251 57.019 -0.768 25829 4356 1 10 . 1 1 413 413 LEU CB C 413 41.190 41.190 42.058 -0.868 25829 4357 1 10 . 1 1 413 413 LEU H H 413 7.497 7.497 7.367 0.130 25829 4358 1 10 . 1 1 414 414 VAL N N 414 117.403 117.403 119.173 -1.770 25829 4359 1 10 . 1 1 414 414 VAL HA H 414 3.475 3.475 3.492 -0.017 25829 4360 1 10 . 1 1 414 414 VAL CA C 414 65.682 65.682 67.351 -1.669 25829 4361 1 10 . 1 1 414 414 VAL CB C 414 31.000 31.000 31.238 -0.238 25829 4362 1 10 . 1 1 414 414 VAL H H 414 7.158 7.158 8.385 -1.227 25829 4363 1 10 . 1 1 415 415 GLU N N 415 118.645 118.645 119.769 -1.124 25829 4364 1 10 . 1 1 415 415 GLU HA H 415 3.957 3.957 3.932 0.025 25829 4365 1 10 . 1 1 415 415 GLU CA C 415 58.698 58.698 59.836 -1.138 25829 4366 1 10 . 1 1 415 415 GLU CB C 415 28.535 28.535 29.392 -0.857 25829 4367 1 10 . 1 1 415 415 GLU H H 415 8.023 8.023 7.841 0.182 25829 4368 1 10 . 1 1 416 416 SER N N 416 113.570 113.570 114.914 -1.344 25829 4369 1 10 . 1 1 416 416 SER HA H 416 4.230 4.230 4.192 0.038 25829 4370 1 10 . 1 1 416 416 SER CA C 416 60.774 60.774 61.506 -0.732 25829 4371 1 10 . 1 1 416 416 SER CB C 416 62.641 62.641 63.361 -0.720 25829 4372 1 10 . 1 1 416 416 SER H H 416 7.668 7.668 7.583 0.085 25829 4373 1 10 . 1 1 417 417 LEU N N 417 120.278 120.278 120.729 -0.451 25829 4374 1 10 . 1 1 417 417 LEU HA H 417 4.220 4.220 4.238 -0.018 25829 4375 1 10 . 1 1 417 417 LEU CA C 417 55.974 55.974 56.952 -0.978 25829 4376 1 10 . 1 1 417 417 LEU CB C 417 42.477 42.477 42.259 0.218 25829 4377 1 10 . 1 1 417 417 LEU H H 417 7.727 7.727 7.644 0.083 25829 4378 1 10 . 1 1 418 418 CYS N N 418 116.200 116.200 119.344 -3.144 25829 4379 1 10 . 1 1 418 418 CYS HA H 418 4.490 4.490 3.944 0.546 25829 4380 1 10 . 1 1 418 418 CYS CA C 418 59.010 59.010 63.044 -4.034 25829 4381 1 10 . 1 1 418 418 CYS CB C 418 27.300 27.300 27.261 0.039 25829 4382 1 10 . 1 1 418 418 CYS H H 418 7.855 7.855 8.729 -0.874 25829 4383 1 10 . 1 1 419 419 SER N N 419 116.680 116.680 114.591 2.089 25829 4384 1 10 . 1 1 419 419 SER HA H 419 4.402 4.402 4.181 0.221 25829 4385 1 10 . 1 1 419 419 SER CA C 419 58.284 58.284 61.275 -2.990 25829 4386 1 10 . 1 1 419 419 SER CB C 419 63.179 63.179 63.082 0.097 25829 4387 1 10 . 1 1 419 419 SER H H 419 7.813 7.813 7.819 -0.006 25829 4388 1 10 . 1 1 420 420 GLU N N 420 122.629 122.629 120.087 2.542 25829 4389 1 10 . 1 1 420 420 GLU HA H 420 4.338 4.338 4.378 -0.040 25829 4390 1 10 . 1 1 420 420 GLU CA C 420 56.021 56.021 56.956 -0.935 25829 4391 1 10 . 1 1 420 420 GLU CB C 420 29.569 29.569 30.198 -0.629 25829 4392 1 10 . 1 1 420 420 GLU H H 420 8.456 8.456 7.693 0.763 25829 4393 1 10 . 1 1 421 421 SER N N 421 116.600 116.600 115.732 0.868 25829 4394 1 10 . 1 1 421 421 SER HA H 421 4.470 4.470 4.417 0.053 25829 4395 1 10 . 1 1 421 421 SER CA C 421 57.800 57.800 58.397 -0.597 25829 4396 1 10 . 1 1 421 421 SER CB C 421 63.180 63.180 62.770 0.410 25829 4397 1 10 . 1 1 421 421 SER H H 421 8.321 8.321 7.752 0.569 25829 4398 1 10 . 1 1 422 422 THR N N 422 115.756 115.756 115.875 -0.119 25829 4399 1 10 . 1 1 422 422 THR HA H 422 4.331 4.331 4.524 -0.193 25829 4400 1 10 . 1 1 422 422 THR CA C 422 61.100 61.100 59.795 1.304 25829 4401 1 10 . 1 1 422 422 THR CB C 422 69.000 69.000 69.325 -0.325 25829 4402 1 10 . 1 1 422 422 THR H H 422 8.144 8.144 7.576 0.568 25829 4403 1 10 . 1 1 423 423 ALA N N 423 126.280 126.280 128.398 -2.118 25829 4404 1 10 . 1 1 423 423 ALA HA H 423 4.369 4.369 4.283 0.086 25829 4405 1 10 . 1 1 423 423 ALA CA C 423 52.060 52.060 52.927 -0.867 25829 4406 1 10 . 1 1 423 423 ALA CB C 423 18.600 18.600 19.058 -0.458 25829 4407 1 10 . 1 1 423 423 ALA H H 423 8.233 8.233 8.313 -0.080 25829 4408 1 10 . 1 1 424 424 THR N N 424 113.047 113.047 112.650 0.397 25829 4409 1 10 . 1 1 424 424 THR HA H 424 4.316 4.316 4.401 -0.085 25829 4410 1 10 . 1 1 424 424 THR CA C 424 60.990 60.990 62.161 -1.171 25829 4411 1 10 . 1 1 424 424 THR CB C 424 69.200 69.200 69.558 -0.358 25829 4412 1 10 . 1 1 424 424 THR H H 424 8.061 8.061 8.628 -0.567 25829 4413 1 10 . 1 1 425 425 SER N N 425 119.479 119.479 117.019 2.460 25829 4414 1 10 . 1 1 425 425 SER HA H 425 4.755 4.755 4.760 -0.005 25829 4415 1 10 . 1 1 425 425 SER CA C 425 55.720 55.720 57.130 -1.411 25829 4416 1 10 . 1 1 425 425 SER CB C 425 62.800 62.800 64.101 -1.301 25829 4417 1 10 . 1 1 425 425 SER H H 425 8.215 8.215 7.916 0.299 25829 4418 1 10 . 1 1 426 426 PRO HA H 426 4.461 4.461 4.656 -0.195 25829 4419 1 10 . 1 1 426 426 PRO CA C 426 62.851 62.851 63.178 -0.327 25829 4420 1 10 . 1 1 426 426 PRO CB C 426 31.308 31.308 31.954 -0.646 25829 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 87 2.092 0.644 2.001 25829 2 1 1 "Average Difference" HA 96 0.310 0.003 0.312 25829 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25829 4 1 1 "Average Difference" CA 92 1.244 0.750 0.998 25829 5 1 1 "Average Difference" CB 88 1.157 0.778 0.862 25829 6 1 1 "Average Difference" HN 87 0.418 -0.002 0.420 25829 7 1 2 "Average Difference" N 87 2.111 0.432 2.078 25829 8 1 2 "Average Difference" HA 96 0.310 0.002 0.312 25829 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25829 10 1 2 "Average Difference" CA 92 1.250 0.732 1.019 25829 11 1 2 "Average Difference" CB 88 1.187 0.757 0.920 25829 12 1 2 "Average Difference" HN 87 0.425 -0.024 0.426 25829 13 1 3 "Average Difference" N 87 2.053 0.538 1.992 25829 14 1 3 "Average Difference" HA 96 0.301 0.034 0.301 25829 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25829 16 1 3 "Average Difference" CA 92 1.072 0.652 0.855 25829 17 1 3 "Average Difference" CB 88 1.169 0.802 0.856 25829 18 1 3 "Average Difference" HN 87 0.409 0.011 0.411 25829 19 1 4 "Average Difference" N 87 2.114 0.435 2.080 25829 20 1 4 "Average Difference" HA 96 0.328 0.012 0.330 25829 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25829 22 1 4 "Average Difference" CA 92 1.178 0.697 0.956 25829 23 1 4 "Average Difference" CB 88 1.238 0.751 0.990 25829 24 1 4 "Average Difference" HN 87 0.427 -0.028 0.428 25829 25 1 5 "Average Difference" N 87 2.149 0.630 2.066 25829 26 1 5 "Average Difference" HA 96 0.317 0.018 0.318 25829 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25829 28 1 5 "Average Difference" CA 92 1.181 0.707 0.952 25829 29 1 5 "Average Difference" CB 88 1.139 0.777 0.838 25829 30 1 5 "Average Difference" HN 87 0.433 -0.003 0.435 25829 31 1 6 "Average Difference" N 87 2.170 0.643 2.085 25829 32 1 6 "Average Difference" HA 96 0.293 0.014 0.294 25829 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25829 34 1 6 "Average Difference" CA 92 1.166 0.748 0.900 25829 35 1 6 "Average Difference" CB 88 1.108 0.765 0.806 25829 36 1 6 "Average Difference" HN 87 0.440 0.037 0.441 25829 37 1 7 "Average Difference" N 87 1.997 0.538 1.935 25829 38 1 7 "Average Difference" HA 96 0.317 0.007 0.319 25829 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25829 40 1 7 "Average Difference" CA 92 1.205 0.732 0.962 25829 41 1 7 "Average Difference" CB 88 1.120 0.753 0.834 25829 42 1 7 "Average Difference" HN 87 0.465 0.011 0.468 25829 43 1 8 "Average Difference" N 87 2.130 0.514 2.080 25829 44 1 8 "Average Difference" HA 96 0.292 0.031 0.292 25829 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25829 46 1 8 "Average Difference" CA 92 1.164 0.719 0.920 25829 47 1 8 "Average Difference" CB 88 1.134 0.778 0.830 25829 48 1 8 "Average Difference" HN 87 0.415 -0.001 0.417 25829 49 1 9 "Average Difference" N 87 2.140 0.570 2.075 25829 50 1 9 "Average Difference" HA 96 0.316 0.020 0.317 25829 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25829 52 1 9 "Average Difference" CA 92 1.165 0.615 0.995 25829 53 1 9 "Average Difference" CB 88 1.146 0.729 0.889 25829 54 1 9 "Average Difference" HN 87 0.391 -0.015 0.393 25829 55 1 10 "Average Difference" N 87 2.317 0.628 2.243 25829 56 1 10 "Average Difference" HA 96 0.315 0.007 0.317 25829 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25829 58 1 10 "Average Difference" CA 92 1.232 0.687 1.029 25829 59 1 10 "Average Difference" CB 88 1.111 0.743 0.830 25829 60 1 10 "Average Difference" HN 87 0.419 -0.007 0.421 25829 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 25829 _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 1 335 335 LEU N N 335 120.860 120.860 122.476 -1.616 25829 2 1 . 1 1 335 335 LEU HA H 335 4.203 4.203 4.481 -0.279 25829 3 1 . 1 1 335 335 LEU CA C 335 54.890 54.890 54.462 0.428 25829 4 1 . 1 1 335 335 LEU CB C 335 40.860 40.860 43.578 -2.718 25829 5 1 . 1 1 335 335 LEU H H 335 8.289 8.289 8.186 0.103 25829 6 1 . 1 1 336 336 TYR N N 336 127.150 127.150 124.433 2.717 25829 7 1 . 1 1 336 336 TYR HA H 336 4.042 4.042 4.196 -0.154 25829 8 1 . 1 1 336 336 TYR CA C 336 61.360 61.360 61.132 0.228 25829 9 1 . 1 1 336 336 TYR CB C 336 38.768 38.768 38.886 -0.118 25829 10 1 . 1 1 336 336 TYR H H 336 9.027 9.027 9.020 0.007 25829 11 1 . 1 1 337 337 SER N N 337 111.560 111.560 112.661 -1.101 25829 12 1 . 1 1 337 337 SER HA H 337 3.926 3.926 4.116 -0.190 25829 13 1 . 1 1 337 337 SER CA C 337 59.251 59.251 60.248 -0.997 25829 14 1 . 1 1 337 337 SER CB C 337 62.235 62.235 62.667 -0.432 25829 15 1 . 1 1 337 337 SER H H 337 9.318 9.318 8.564 0.754 25829 16 1 . 1 1 338 338 SER N N 338 115.800 115.800 115.445 0.354 25829 17 1 . 1 1 338 338 SER HA H 338 4.465 4.465 4.339 0.126 25829 18 1 . 1 1 338 338 SER CA C 338 58.120 58.120 59.071 -0.951 25829 19 1 . 1 1 338 338 SER CB C 338 63.663 63.663 63.558 0.105 25829 20 1 . 1 1 338 338 SER H H 338 7.459 7.459 7.649 -0.190 25829 21 1 . 1 1 339 339 LEU N N 339 123.972 123.972 123.110 0.862 25829 22 1 . 1 1 339 339 LEU HA H 339 4.366 4.366 4.312 0.054 25829 23 1 . 1 1 339 339 LEU CA C 339 52.936 52.936 53.573 -0.637 25829 24 1 . 1 1 339 339 LEU CB C 339 40.889 40.889 41.250 -0.361 25829 25 1 . 1 1 339 339 LEU H H 339 7.520 7.520 7.198 0.322 25829 26 1 . 1 1 340 340 PRO HA H 340 4.723 4.723 4.660 0.063 25829 27 1 . 1 1 340 340 PRO CA C 340 60.800 60.800 61.403 -0.603 25829 28 1 . 1 1 340 340 PRO CB C 340 27.300 27.300 31.078 -3.778 25829 29 1 . 1 1 341 341 PRO HA H 341 3.971 3.971 4.189 -0.218 25829 30 1 . 1 1 341 341 PRO CA C 341 65.204 65.204 65.568 -0.364 25829 31 1 . 1 1 341 341 PRO CB C 341 31.100 31.100 31.512 -0.412 25829 32 1 . 1 1 342 342 ALA N N 342 117.460 117.460 121.394 -3.934 25829 33 1 . 1 1 342 342 ALA HA H 342 4.125 4.125 4.071 0.054 25829 34 1 . 1 1 342 342 ALA CA C 342 54.529 54.529 55.129 -0.601 25829 35 1 . 1 1 342 342 ALA CB C 342 17.700 17.700 18.134 -0.434 25829 36 1 . 1 1 342 342 ALA H H 342 8.625 8.625 8.378 0.247 25829 37 1 . 1 1 343 343 LYS N N 343 117.364 117.364 118.770 -1.406 25829 38 1 . 1 1 343 343 LYS HA H 343 4.295 4.295 4.010 0.285 25829 39 1 . 1 1 343 343 LYS CA C 343 56.167 56.167 59.144 -2.977 25829 40 1 . 1 1 343 343 LYS CB C 343 30.889 30.889 31.943 -1.054 25829 41 1 . 1 1 343 343 LYS H H 343 7.254 7.254 7.760 -0.506 25829 42 1 . 1 1 344 344 ARG N N 344 118.680 118.680 118.293 0.387 25829 43 1 . 1 1 344 344 ARG HA H 344 3.850 3.850 4.197 -0.347 25829 44 1 . 1 1 344 344 ARG CA C 344 59.660 59.660 59.267 0.393 25829 45 1 . 1 1 344 344 ARG CB C 344 29.300 29.300 30.012 -0.712 25829 46 1 . 1 1 344 344 ARG H H 344 7.410 7.410 7.600 -0.190 25829 47 1 . 1 1 345 345 GLU N N 345 118.035 118.035 119.313 -1.278 25829 48 1 . 1 1 345 345 GLU HA H 345 3.926 3.926 4.126 -0.200 25829 49 1 . 1 1 345 345 GLU CA C 345 58.720 58.720 59.524 -0.804 25829 50 1 . 1 1 345 345 GLU CB C 345 28.600 28.600 29.403 -0.803 25829 51 1 . 1 1 345 345 GLU H H 345 8.267 8.267 7.828 0.439 25829 52 1 . 1 1 346 346 GLU N N 346 119.810 119.810 120.061 -0.251 25829 53 1 . 1 1 346 346 GLU HA H 346 3.950 3.950 4.117 -0.167 25829 54 1 . 1 1 346 346 GLU CA C 346 59.000 59.000 59.330 -0.330 25829 55 1 . 1 1 346 346 GLU CB C 346 29.113 29.113 29.362 -0.249 25829 56 1 . 1 1 346 346 GLU H H 346 7.444 7.444 8.219 -0.775 25829 57 1 . 1 1 347 347 VAL N N 347 119.540 119.540 118.527 1.013 25829 58 1 . 1 1 347 347 VAL HA H 347 3.470 3.470 3.729 -0.259 25829 59 1 . 1 1 347 347 VAL CA C 347 66.267 66.267 66.845 -0.579 25829 60 1 . 1 1 347 347 VAL CB C 347 30.800 30.800 31.121 -0.321 25829 61 1 . 1 1 347 347 VAL H H 347 7.938 7.938 8.553 -0.616 25829 62 1 . 1 1 348 348 GLU N N 348 118.250 118.250 119.438 -1.188 25829 63 1 . 1 1 348 348 GLU HA H 348 3.513 3.513 4.107 -0.594 25829 64 1 . 1 1 348 348 GLU CA C 348 59.609 59.609 59.539 0.070 25829 65 1 . 1 1 348 348 GLU CB C 348 28.620 28.620 29.446 -0.826 25829 66 1 . 1 1 348 348 GLU H H 348 8.094 8.094 7.662 0.432 25829 67 1 . 1 1 349 349 LYS N N 349 118.860 118.860 119.681 -0.821 25829 68 1 . 1 1 349 349 LYS HA H 349 3.948 3.948 4.099 -0.152 25829 69 1 . 1 1 349 349 LYS CA C 349 59.000 59.000 59.373 -0.373 25829 70 1 . 1 1 349 349 LYS CB C 349 31.809 31.809 32.569 -0.760 25829 71 1 . 1 1 349 349 LYS H H 349 8.319 8.319 8.193 0.126 25829 72 1 . 1 1 350 350 LEU N N 350 120.820 120.820 118.443 2.377 25829 73 1 . 1 1 350 350 LEU HA H 350 4.050 4.050 4.195 -0.145 25829 74 1 . 1 1 350 350 LEU CA C 350 56.954 56.954 57.717 -0.763 25829 75 1 . 1 1 350 350 LEU CB C 350 41.300 41.300 41.989 -0.689 25829 76 1 . 1 1 350 350 LEU H H 350 8.020 8.020 8.264 -0.244 25829 77 1 . 1 1 351 351 LEU N N 351 117.800 117.800 119.816 -2.016 25829 78 1 . 1 1 351 351 LEU HA H 351 4.020 4.020 3.974 0.046 25829 79 1 . 1 1 351 351 LEU CA C 351 56.700 56.700 57.269 -0.569 25829 80 1 . 1 1 351 351 LEU CB C 351 41.470 41.470 41.503 -0.033 25829 81 1 . 1 1 351 351 LEU H H 351 8.205 8.205 7.563 0.642 25829 82 1 . 1 1 352 352 ASN N N 352 118.847 118.847 116.226 2.620 25829 83 1 . 1 1 352 352 ASN HA H 352 4.487 4.487 4.560 -0.073 25829 84 1 . 1 1 352 352 ASN CA C 352 54.980 54.980 55.402 -0.422 25829 85 1 . 1 1 352 352 ASN CB C 352 38.660 38.660 38.508 0.153 25829 86 1 . 1 1 352 352 ASN H H 352 8.613 8.613 7.896 0.717 25829 87 1 . 1 1 353 353 GLY N N 353 104.836 104.836 105.903 -1.067 25829 88 1 . 1 1 353 353 GLY CA C 353 45.100 45.100 45.081 0.019 25829 89 1 . 1 1 353 353 GLY H H 353 7.803 7.803 7.603 0.199 25829 90 1 . 1 1 354 354 SER N N 354 115.370 115.370 116.921 -1.551 25829 91 1 . 1 1 354 354 SER HA H 354 4.530 4.530 4.348 0.182 25829 92 1 . 1 1 354 354 SER CA C 354 58.317 58.317 58.378 -0.061 25829 93 1 . 1 1 354 354 SER CB C 354 63.678 63.678 63.607 0.071 25829 94 1 . 1 1 354 354 SER H H 354 7.567 7.567 7.598 -0.031 25829 95 1 . 1 1 355 355 ALA N N 355 124.206 124.206 123.471 0.734 25829 96 1 . 1 1 355 355 ALA HA H 355 4.455 4.455 4.202 0.253 25829 97 1 . 1 1 355 355 ALA CA C 355 51.960 51.960 52.799 -0.839 25829 98 1 . 1 1 355 355 ALA CB C 355 18.545 18.545 18.976 -0.431 25829 99 1 . 1 1 355 355 ALA H H 355 8.334 8.334 7.982 0.351 25829 100 1 . 1 1 356 356 GLY N N 356 108.886 108.886 107.044 1.842 25829 101 1 . 1 1 356 356 GLY CA C 356 46.340 46.340 46.123 0.217 25829 102 1 . 1 1 356 356 GLY H H 356 8.613 8.613 8.713 -0.100 25829 103 1 . 1 1 357 357 ASP N N 357 119.161 119.161 117.403 1.758 25829 104 1 . 1 1 357 357 ASP HA H 357 4.490 4.490 4.361 0.129 25829 105 1 . 1 1 357 357 ASP CA C 357 53.700 53.700 53.336 0.364 25829 106 1 . 1 1 357 357 ASP CB C 357 39.418 39.418 40.156 -0.738 25829 107 1 . 1 1 357 357 ASP H H 357 8.534 8.534 7.944 0.590 25829 108 1 . 1 1 358 358 THR N N 358 116.000 116.000 116.609 -0.609 25829 109 1 . 1 1 358 358 THR HA H 358 3.855 3.855 3.772 0.083 25829 110 1 . 1 1 358 358 THR CA C 358 66.123 66.123 67.405 -1.282 25829 111 1 . 1 1 358 358 THR CB C 358 67.860 67.860 68.675 -0.815 25829 112 1 . 1 1 358 358 THR H H 358 7.864 7.864 8.191 -0.327 25829 113 1 . 1 1 359 359 TRP N N 359 118.670 118.670 119.711 -1.041 25829 114 1 . 1 1 359 359 TRP HA H 359 3.930 3.930 4.199 -0.269 25829 115 1 . 1 1 359 359 TRP CA C 359 59.500 59.500 59.020 0.480 25829 116 1 . 1 1 359 359 TRP CB C 359 26.859 26.859 27.603 -0.744 25829 117 1 . 1 1 359 359 TRP H H 359 8.287 8.287 8.258 0.029 25829 118 1 . 1 1 360 360 ARG N N 360 122.263 122.263 120.606 1.657 25829 119 1 . 1 1 360 360 ARG HA H 360 2.995 2.995 3.265 -0.270 25829 120 1 . 1 1 360 360 ARG CA C 360 58.797 58.797 59.057 -0.260 25829 121 1 . 1 1 360 360 ARG CB C 360 28.650 28.650 29.313 -0.663 25829 122 1 . 1 1 360 360 ARG H H 360 6.341 6.341 6.693 -0.352 25829 123 1 . 1 1 361 361 HIS N N 361 120.604 120.604 118.324 2.280 25829 124 1 . 1 1 361 361 HIS HA H 361 4.379 4.379 4.243 0.136 25829 125 1 . 1 1 361 361 HIS CA C 361 57.124 57.124 58.920 -1.796 25829 126 1 . 1 1 361 361 HIS CB C 361 29.551 29.551 29.993 -0.442 25829 127 1 . 1 1 361 361 HIS H H 361 7.370 7.370 7.587 -0.217 25829 128 1 . 1 1 362 362 LEU N N 362 120.734 120.734 120.276 0.458 25829 129 1 . 1 1 362 362 LEU HA H 362 3.750 3.750 3.875 -0.125 25829 130 1 . 1 1 362 362 LEU CA C 362 57.153 57.153 57.795 -0.642 25829 131 1 . 1 1 362 362 LEU CB C 362 40.886 40.886 41.711 -0.825 25829 132 1 . 1 1 362 362 LEU H H 362 8.365 8.365 7.860 0.505 25829 133 1 . 1 1 363 363 ALA N N 363 118.919 118.919 120.675 -1.756 25829 134 1 . 1 1 363 363 ALA HA H 363 3.824 3.824 3.927 -0.103 25829 135 1 . 1 1 363 363 ALA CA C 363 54.910 54.910 55.453 -0.543 25829 136 1 . 1 1 363 363 ALA CB C 363 18.000 18.000 17.976 0.024 25829 137 1 . 1 1 363 363 ALA H H 363 8.384 8.384 8.476 -0.092 25829 138 1 . 1 1 364 364 GLY N N 364 103.970 103.970 106.080 -2.111 25829 139 1 . 1 1 364 364 GLY CA C 364 46.452 46.452 47.119 -0.667 25829 140 1 . 1 1 364 364 GLY H H 364 7.679 7.679 7.783 -0.104 25829 141 1 . 1 1 365 365 GLU N N 365 122.387 122.387 120.309 2.078 25829 142 1 . 1 1 365 365 GLU HA H 365 4.250 4.250 4.278 -0.028 25829 143 1 . 1 1 365 365 GLU CA C 365 57.100 57.100 57.368 -0.267 25829 144 1 . 1 1 365 365 GLU CB C 365 29.043 29.043 29.372 -0.329 25829 145 1 . 1 1 365 365 GLU H H 365 7.724 7.724 7.687 0.037 25829 146 1 . 1 1 366 366 LEU N N 366 117.748 117.748 118.112 -0.364 25829 147 1 . 1 1 366 366 LEU HA H 366 4.329 4.329 4.296 0.033 25829 148 1 . 1 1 366 366 LEU CA C 366 53.898 53.898 54.998 -1.100 25829 149 1 . 1 1 366 366 LEU CB C 366 40.569 40.569 42.159 -1.590 25829 150 1 . 1 1 366 366 LEU H H 366 7.813 7.813 8.136 -0.323 25829 151 1 . 1 1 367 367 GLY N N 367 105.744 105.744 105.767 -0.023 25829 152 1 . 1 1 367 367 GLY CA C 367 44.900 44.900 45.151 -0.251 25829 153 1 . 1 1 367 367 GLY H H 367 7.636 7.636 7.385 0.251 25829 154 1 . 1 1 368 368 TYR N N 368 119.550 119.550 120.575 -1.025 25829 155 1 . 1 1 368 368 TYR HA H 368 4.450 4.450 4.326 0.124 25829 156 1 . 1 1 368 368 TYR CA C 368 58.960 58.960 59.363 -0.403 25829 157 1 . 1 1 368 368 TYR CB C 368 37.990 37.990 39.107 -1.117 25829 158 1 . 1 1 368 368 TYR H H 368 7.958 7.958 7.967 -0.009 25829 159 1 . 1 1 369 369 GLN N N 369 123.108 123.108 123.696 -0.588 25829 160 1 . 1 1 369 369 GLN HA H 369 4.600 4.600 4.420 0.180 25829 161 1 . 1 1 369 369 GLN CA C 369 53.400 53.400 55.205 -1.805 25829 162 1 . 1 1 369 369 GLN CB C 369 27.110 27.110 28.573 -1.463 25829 163 1 . 1 1 369 369 GLN H H 369 9.767 9.767 8.699 1.068 25829 164 1 . 1 1 370 370 PRO HA H 370 4.057 4.057 4.306 -0.249 25829 165 1 . 1 1 370 370 PRO CA C 370 66.262 66.262 65.476 0.786 25829 166 1 . 1 1 370 370 PRO CB C 370 31.384 31.384 31.928 -0.544 25829 167 1 . 1 1 371 371 GLU N N 371 116.204 116.204 117.655 -1.451 25829 168 1 . 1 1 371 371 GLU HA H 371 4.111 4.111 4.061 0.050 25829 169 1 . 1 1 371 371 GLU CA C 371 58.661 58.661 59.307 -0.647 25829 170 1 . 1 1 371 371 GLU CB C 371 27.741 27.741 28.347 -0.606 25829 171 1 . 1 1 371 371 GLU H H 371 9.493 9.493 9.032 0.461 25829 172 1 . 1 1 372 372 HIS N N 372 120.310 120.310 119.484 0.826 25829 173 1 . 1 1 372 372 HIS HA H 372 4.425 4.425 4.258 0.167 25829 174 1 . 1 1 372 372 HIS CA C 372 57.070 57.070 58.853 -1.783 25829 175 1 . 1 1 372 372 HIS CB C 372 31.818 31.818 30.255 1.563 25829 176 1 . 1 1 372 372 HIS H H 372 7.424 7.424 7.661 -0.237 25829 177 1 . 1 1 373 373 ILE N N 373 120.390 120.390 120.503 -0.113 25829 178 1 . 1 1 373 373 ILE HA H 373 3.708 3.708 4.081 -0.373 25829 179 1 . 1 1 373 373 ILE CA C 373 65.480 65.480 65.442 0.038 25829 180 1 . 1 1 373 373 ILE CB C 373 37.329 37.329 37.581 -0.252 25829 181 1 . 1 1 373 373 ILE H H 373 7.950 7.950 7.742 0.208 25829 182 1 . 1 1 374 374 ASP N N 374 117.990 117.990 120.386 -2.396 25829 183 1 . 1 1 374 374 ASP HA H 374 4.508 4.508 4.513 -0.005 25829 184 1 . 1 1 374 374 ASP CA C 374 56.504 56.504 57.524 -1.020 25829 185 1 . 1 1 374 374 ASP CB C 374 40.175 40.175 40.454 -0.279 25829 186 1 . 1 1 374 374 ASP H H 374 8.142 8.142 8.062 0.080 25829 187 1 . 1 1 375 375 SER N N 375 115.373 115.373 115.235 0.138 25829 188 1 . 1 1 375 375 SER HA H 375 4.207 4.207 4.187 0.020 25829 189 1 . 1 1 375 375 SER CA C 375 60.962 60.962 60.970 -0.008 25829 190 1 . 1 1 375 375 SER CB C 375 61.999 61.999 63.171 -1.172 25829 191 1 . 1 1 375 375 SER H H 375 7.485 7.485 7.798 -0.312 25829 192 1 . 1 1 376 376 PHE N N 376 120.335 120.335 119.331 1.004 25829 193 1 . 1 1 376 376 PHE HA H 376 4.503 4.503 4.385 0.119 25829 194 1 . 1 1 376 376 PHE CA C 376 58.170 58.170 59.337 -1.167 25829 195 1 . 1 1 376 376 PHE CB C 376 37.729 37.729 38.849 -1.119 25829 196 1 . 1 1 376 376 PHE H H 376 7.787 7.787 8.078 -0.291 25829 197 1 . 1 1 377 377 THR N N 377 110.175 110.175 113.232 -3.057 25829 198 1 . 1 1 377 377 THR HA H 377 3.908 3.908 4.346 -0.438 25829 199 1 . 1 1 377 377 THR CA C 377 64.888 64.888 65.529 -0.642 25829 200 1 . 1 1 377 377 THR CB C 377 68.990 68.990 68.740 0.250 25829 201 1 . 1 1 377 377 THR H H 377 7.777 7.777 8.663 -0.886 25829 202 1 . 1 1 378 378 HIS N N 378 116.164 116.164 118.999 -2.835 25829 203 1 . 1 1 378 378 HIS HA H 378 4.630 4.630 4.737 -0.107 25829 204 1 . 1 1 378 378 HIS CA C 378 55.189 55.189 56.276 -1.087 25829 205 1 . 1 1 378 378 HIS CB C 378 28.700 28.700 30.355 -1.655 25829 206 1 . 1 1 378 378 HIS H H 378 7.473 7.473 7.952 -0.479 25829 207 1 . 1 1 379 379 GLU N N 379 119.465 119.465 120.622 -1.157 25829 208 1 . 1 1 379 379 GLU HA H 379 4.194 4.194 4.470 -0.276 25829 209 1 . 1 1 379 379 GLU CA C 379 54.632 54.632 55.320 -0.688 25829 210 1 . 1 1 379 379 GLU CB C 379 29.247 29.247 31.278 -2.031 25829 211 1 . 1 1 379 379 GLU H H 379 7.229 7.229 7.646 -0.418 25829 212 1 . 1 1 380 380 ALA N N 380 123.121 123.121 126.216 -3.095 25829 213 1 . 1 1 380 380 ALA HA H 380 3.983 3.983 4.251 -0.268 25829 214 1 . 1 1 380 380 ALA CA C 380 54.134 54.134 53.494 0.639 25829 215 1 . 1 1 380 380 ALA CB C 380 17.480 17.480 19.029 -1.549 25829 216 1 . 1 1 380 380 ALA H H 380 8.624 8.624 8.435 0.189 25829 217 1 . 1 1 381 381 CYS N N 381 114.618 114.618 117.227 -2.609 25829 218 1 . 1 1 381 381 CYS HA H 381 4.650 4.650 4.830 -0.180 25829 219 1 . 1 1 381 381 CYS CA C 381 54.700 54.700 55.977 -1.278 25829 220 1 . 1 1 381 381 CYS CB C 381 26.580 26.580 28.326 -1.746 25829 221 1 . 1 1 381 381 CYS H H 381 7.962 7.962 7.985 -0.023 25829 222 1 . 1 1 382 382 PRO HA H 382 3.530 3.530 4.107 -0.577 25829 223 1 . 1 1 382 382 PRO CA C 382 65.150 65.150 64.954 0.196 25829 224 1 . 1 1 382 382 PRO CB C 382 30.400 30.400 31.097 -0.697 25829 225 1 . 1 1 383 383 VAL N N 383 114.288 114.288 118.866 -4.578 25829 226 1 . 1 1 383 383 VAL HA H 383 3.250 3.250 3.399 -0.149 25829 227 1 . 1 1 383 383 VAL CA C 383 65.300 65.300 65.313 -0.013 25829 228 1 . 1 1 383 383 VAL CB C 383 30.489 30.489 31.412 -0.923 25829 229 1 . 1 1 383 383 VAL H H 383 7.935 7.935 7.705 0.230 25829 230 1 . 1 1 384 384 ARG N N 384 120.700 120.700 119.302 1.398 25829 231 1 . 1 1 384 384 ARG HA H 384 3.782 3.782 4.105 -0.323 25829 232 1 . 1 1 384 384 ARG CA C 384 58.700 58.700 59.365 -0.665 25829 233 1 . 1 1 384 384 ARG CB C 384 29.545 29.545 29.790 -0.245 25829 234 1 . 1 1 384 384 ARG H H 384 7.253 7.253 7.608 -0.355 25829 235 1 . 1 1 385 385 ALA N N 385 121.849 121.849 122.636 -0.787 25829 236 1 . 1 1 385 385 ALA HA H 385 4.010 4.010 4.066 -0.056 25829 237 1 . 1 1 385 385 ALA CA C 385 54.015 54.015 54.897 -0.882 25829 238 1 . 1 1 385 385 ALA CB C 385 17.600 17.600 18.295 -0.695 25829 239 1 . 1 1 385 385 ALA H H 385 7.371 7.371 7.402 -0.031 25829 240 1 . 1 1 386 386 LEU N N 386 120.978 120.978 119.924 1.054 25829 241 1 . 1 1 386 386 LEU HA H 386 2.817 2.817 3.606 -0.790 25829 242 1 . 1 1 386 386 LEU CA C 386 56.800 56.800 57.725 -0.925 25829 243 1 . 1 1 386 386 LEU CB C 386 40.600 40.600 41.653 -1.053 25829 244 1 . 1 1 386 386 LEU H H 386 7.999 7.999 8.026 -0.027 25829 245 1 . 1 1 387 387 LEU N N 387 117.377 117.377 118.341 -0.964 25829 246 1 . 1 1 387 387 LEU HA H 387 4.040 4.040 3.887 0.153 25829 247 1 . 1 1 387 387 LEU CA C 387 57.390 57.390 57.934 -0.544 25829 248 1 . 1 1 387 387 LEU CB C 387 40.200 40.200 41.398 -1.198 25829 249 1 . 1 1 387 387 LEU H H 387 7.973 7.973 7.647 0.326 25829 250 1 . 1 1 388 388 ALA N N 388 120.700 120.700 122.131 -1.431 25829 251 1 . 1 1 388 388 ALA HA H 388 4.110 4.110 4.026 0.084 25829 252 1 . 1 1 388 388 ALA CA C 388 54.162 54.162 55.236 -1.074 25829 253 1 . 1 1 388 388 ALA CB C 388 17.437 17.437 18.205 -0.768 25829 254 1 . 1 1 388 388 ALA H H 388 8.086 8.086 8.030 0.056 25829 255 1 . 1 1 389 389 SER N N 389 111.963 111.963 114.172 -2.209 25829 256 1 . 1 1 389 389 SER HA H 389 4.386 4.386 4.364 0.022 25829 257 1 . 1 1 389 389 SER CA C 389 59.878 59.878 60.868 -0.991 25829 258 1 . 1 1 389 389 SER CB C 389 62.639 62.639 63.494 -0.855 25829 259 1 . 1 1 389 389 SER H H 389 7.446 7.446 8.262 -0.816 25829 260 1 . 1 1 390 390 TRP N N 390 125.600 125.600 124.277 1.323 25829 261 1 . 1 1 390 390 TRP HA H 390 4.319 4.319 4.621 -0.302 25829 262 1 . 1 1 390 390 TRP CA C 390 60.946 60.946 60.797 0.149 25829 263 1 . 1 1 390 390 TRP CB C 390 27.482 27.482 29.656 -2.174 25829 264 1 . 1 1 390 390 TRP H H 390 9.032 9.032 8.556 0.476 25829 265 1 . 1 1 391 391 ALA N N 391 114.481 114.481 119.418 -4.937 25829 266 1 . 1 1 391 391 ALA HA H 391 3.583 3.583 4.148 -0.565 25829 267 1 . 1 1 391 391 ALA CA C 391 52.859 52.859 54.101 -1.243 25829 268 1 . 1 1 391 391 ALA CB C 391 18.590 18.590 18.372 0.218 25829 269 1 . 1 1 391 391 ALA H H 391 8.312 8.312 8.018 0.294 25829 270 1 . 1 1 392 392 THR N N 392 106.369 106.369 110.721 -4.352 25829 271 1 . 1 1 392 392 THR HA H 392 4.196 4.196 4.172 0.024 25829 272 1 . 1 1 392 392 THR CA C 392 62.128 62.128 63.697 -1.569 25829 273 1 . 1 1 392 392 THR CB C 392 69.100 69.100 68.834 0.266 25829 274 1 . 1 1 392 392 THR H H 392 7.238 7.238 7.710 -0.472 25829 275 1 . 1 1 393 393 GLN N N 393 121.193 121.193 119.925 1.268 25829 276 1 . 1 1 393 393 GLN HA H 393 4.295 4.295 4.603 -0.308 25829 277 1 . 1 1 393 393 GLN CA C 393 54.971 54.971 54.433 0.538 25829 278 1 . 1 1 393 393 GLN CB C 393 29.130 29.130 31.589 -2.459 25829 279 1 . 1 1 393 393 GLN H H 393 7.701 7.701 7.482 0.219 25829 280 1 . 1 1 394 394 ASP N N 394 121.430 121.430 122.582 -1.151 25829 281 1 . 1 1 394 394 ASP HA H 394 4.260 4.260 4.350 -0.090 25829 282 1 . 1 1 394 394 ASP CA C 394 55.700 55.700 56.170 -0.470 25829 283 1 . 1 1 394 394 ASP CB C 394 39.700 39.700 40.419 -0.719 25829 284 1 . 1 1 394 394 ASP H H 394 8.623 8.623 8.726 -0.103 25829 285 1 . 1 1 395 395 SER N N 395 108.500 108.500 114.269 -5.769 25829 286 1 . 1 1 395 395 SER HA H 395 4.293 4.293 4.209 0.084 25829 287 1 . 1 1 395 395 SER CA C 395 56.340 56.340 59.175 -2.835 25829 288 1 . 1 1 395 395 SER CB C 395 62.319 62.319 63.076 -0.757 25829 289 1 . 1 1 395 395 SER H H 395 7.437 7.437 7.969 -0.531 25829 290 1 . 1 1 396 396 ALA N N 396 127.500 127.500 124.679 2.821 25829 291 1 . 1 1 396 396 ALA HA H 396 3.974 3.974 2.107 1.867 25829 292 1 . 1 1 396 396 ALA CA C 396 51.617 51.617 50.566 1.051 25829 293 1 . 1 1 396 396 ALA CB C 396 15.670 15.670 17.025 -1.355 25829 294 1 . 1 1 396 396 ALA H H 396 7.077 7.077 7.234 -0.157 25829 295 1 . 1 1 397 397 THR N N 397 115.344 115.344 112.308 3.036 25829 296 1 . 1 1 397 397 THR HA H 397 4.760 4.760 4.517 0.243 25829 297 1 . 1 1 397 397 THR CA C 397 58.900 58.900 61.388 -2.487 25829 298 1 . 1 1 397 397 THR CB C 397 70.600 70.600 71.063 -0.463 25829 299 1 . 1 1 397 397 THR H H 397 7.802 7.802 7.669 0.133 25829 300 1 . 1 1 398 398 LEU N N 398 122.107 122.107 125.302 -3.195 25829 301 1 . 1 1 398 398 LEU HA H 398 4.402 4.402 4.157 0.245 25829 302 1 . 1 1 398 398 LEU CA C 398 57.949 57.949 58.692 -0.743 25829 303 1 . 1 1 398 398 LEU CB C 398 40.435 40.435 41.408 -0.973 25829 304 1 . 1 1 398 398 LEU H H 398 8.686 8.686 8.991 -0.305 25829 305 1 . 1 1 399 399 ASP N N 399 116.774 116.774 119.189 -2.415 25829 306 1 . 1 1 399 399 ASP HA H 399 4.340 4.340 4.314 0.026 25829 307 1 . 1 1 399 399 ASP CA C 399 57.209 57.209 57.856 -0.647 25829 308 1 . 1 1 399 399 ASP CB C 399 39.800 39.800 40.605 -0.805 25829 309 1 . 1 1 399 399 ASP H H 399 8.592 8.592 8.306 0.286 25829 310 1 . 1 1 400 400 ALA N N 400 123.457 123.457 122.332 1.125 25829 311 1 . 1 1 400 400 ALA HA H 400 4.265 4.265 4.308 -0.043 25829 312 1 . 1 1 400 400 ALA CA C 400 54.429 54.429 55.002 -0.574 25829 313 1 . 1 1 400 400 ALA CB C 400 17.800 17.800 18.726 -0.926 25829 314 1 . 1 1 400 400 ALA H H 400 8.285 8.285 8.008 0.276 25829 315 1 . 1 1 401 401 LEU N N 401 121.963 121.963 120.709 1.254 25829 316 1 . 1 1 401 401 LEU HA H 401 3.774 3.774 3.893 -0.119 25829 317 1 . 1 1 401 401 LEU CA C 401 57.306 57.306 58.013 -0.707 25829 318 1 . 1 1 401 401 LEU CB C 401 40.560 40.560 42.103 -1.543 25829 319 1 . 1 1 401 401 LEU H H 401 7.952 7.952 8.206 -0.254 25829 320 1 . 1 1 402 402 LEU N N 402 117.440 117.440 118.304 -0.864 25829 321 1 . 1 1 402 402 LEU HA H 402 3.837 3.837 3.879 -0.042 25829 322 1 . 1 1 402 402 LEU CA C 402 57.400 57.400 57.968 -0.568 25829 323 1 . 1 1 402 402 LEU CB C 402 39.700 39.700 41.336 -1.636 25829 324 1 . 1 1 402 402 LEU H H 402 8.633 8.633 8.658 -0.025 25829 325 1 . 1 1 403 403 ALA N N 403 119.971 119.971 121.314 -1.342 25829 326 1 . 1 1 403 403 ALA HA H 403 3.993 3.993 3.957 0.036 25829 327 1 . 1 1 403 403 ALA CA C 403 54.500 54.500 55.059 -0.559 25829 328 1 . 1 1 403 403 ALA CB C 403 17.200 17.200 18.009 -0.809 25829 329 1 . 1 1 403 403 ALA H H 403 8.132 8.132 7.778 0.354 25829 330 1 . 1 1 404 404 ALA N N 404 121.297 121.297 121.412 -0.115 25829 331 1 . 1 1 404 404 ALA HA H 404 3.815 3.815 3.990 -0.175 25829 332 1 . 1 1 404 404 ALA CA C 404 54.800 54.800 54.704 0.096 25829 333 1 . 1 1 404 404 ALA CB C 404 18.100 18.100 18.519 -0.419 25829 334 1 . 1 1 404 404 ALA H H 404 7.610 7.610 7.815 -0.205 25829 335 1 . 1 1 405 405 LEU N N 405 116.480 116.480 118.612 -2.131 25829 336 1 . 1 1 405 405 LEU HA H 405 3.853 3.853 3.827 0.026 25829 337 1 . 1 1 405 405 LEU CA C 405 56.591 56.591 57.965 -1.374 25829 338 1 . 1 1 405 405 LEU CB C 405 41.000 41.000 41.596 -0.595 25829 339 1 . 1 1 405 405 LEU H H 405 8.009 8.009 8.319 -0.310 25829 340 1 . 1 1 406 406 ARG N N 406 118.300 118.300 118.464 -0.164 25829 341 1 . 1 1 406 406 ARG HA H 406 3.804 3.804 4.030 -0.227 25829 342 1 . 1 1 406 406 ARG CA C 406 59.650 59.650 59.207 0.443 25829 343 1 . 1 1 406 406 ARG CB C 406 29.300 29.300 29.681 -0.381 25829 344 1 . 1 1 406 406 ARG H H 406 7.983 7.983 7.923 0.060 25829 345 1 . 1 1 407 407 ARG N N 407 120.307 120.307 119.106 1.202 25829 346 1 . 1 1 407 407 ARG HA H 407 4.085 4.085 4.163 -0.078 25829 347 1 . 1 1 407 407 ARG CA C 407 59.552 59.552 58.068 1.484 25829 348 1 . 1 1 407 407 ARG CB C 407 29.700 29.700 29.481 0.219 25829 349 1 . 1 1 407 407 ARG H H 407 7.916 7.916 7.652 0.264 25829 350 1 . 1 1 408 408 ILE N N 408 110.637 110.637 112.650 -2.013 25829 351 1 . 1 1 408 408 ILE HA H 408 4.530 4.530 4.396 0.134 25829 352 1 . 1 1 408 408 ILE CA C 408 60.500 60.500 60.510 -0.010 25829 353 1 . 1 1 408 408 ILE CB C 408 36.148 36.148 37.297 -1.149 25829 354 1 . 1 1 408 408 ILE H H 408 7.274 7.274 7.273 0.001 25829 355 1 . 1 1 409 409 GLN N N 409 113.647 113.647 116.593 -2.946 25829 356 1 . 1 1 409 409 GLN HA H 409 3.962 3.962 3.982 -0.020 25829 357 1 . 1 1 409 409 GLN CA C 409 56.289 56.289 57.312 -1.023 25829 358 1 . 1 1 409 409 GLN CB C 409 24.550 24.550 26.104 -1.554 25829 359 1 . 1 1 409 409 GLN H H 409 7.714 7.714 7.671 0.043 25829 360 1 . 1 1 410 410 ARG N N 410 117.152 117.152 116.891 0.261 25829 361 1 . 1 1 410 410 ARG HA H 410 5.039 5.039 4.764 0.275 25829 362 1 . 1 1 410 410 ARG CA C 410 50.920 50.920 54.163 -3.243 25829 363 1 . 1 1 410 410 ARG CB C 410 26.600 26.600 30.379 -3.779 25829 364 1 . 1 1 410 410 ARG H H 410 8.029 8.029 8.064 -0.035 25829 365 1 . 1 1 411 411 ALA N N 411 123.065 123.065 122.979 0.086 25829 366 1 . 1 1 411 411 ALA HA H 411 3.854 3.854 3.908 -0.054 25829 367 1 . 1 1 411 411 ALA CA C 411 54.287 54.287 55.265 -0.978 25829 368 1 . 1 1 411 411 ALA CB C 411 17.691 17.691 18.530 -0.839 25829 369 1 . 1 1 411 411 ALA H H 411 8.121 8.121 8.445 -0.324 25829 370 1 . 1 1 412 412 ASP N N 412 116.575 116.575 117.974 -1.399 25829 371 1 . 1 1 412 412 ASP HA H 412 4.251 4.251 4.283 -0.033 25829 372 1 . 1 1 412 412 ASP CA C 412 55.566 55.566 56.592 -1.026 25829 373 1 . 1 1 412 412 ASP CB C 412 38.000 38.000 39.588 -1.588 25829 374 1 . 1 1 412 412 ASP H H 412 8.916 8.916 8.459 0.457 25829 375 1 . 1 1 413 413 LEU N N 413 120.881 120.881 121.001 -0.120 25829 376 1 . 1 1 413 413 LEU HA H 413 4.134 4.134 4.095 0.039 25829 377 1 . 1 1 413 413 LEU CA C 413 56.251 56.251 56.853 -0.602 25829 378 1 . 1 1 413 413 LEU CB C 413 41.190 41.190 42.094 -0.904 25829 379 1 . 1 1 413 413 LEU H H 413 7.497 7.497 7.565 -0.068 25829 380 1 . 1 1 414 414 VAL N N 414 117.403 117.403 119.350 -1.947 25829 381 1 . 1 1 414 414 VAL HA H 414 3.475 3.475 3.515 -0.040 25829 382 1 . 1 1 414 414 VAL CA C 414 65.682 65.682 67.170 -1.488 25829 383 1 . 1 1 414 414 VAL CB C 414 31.000 31.000 31.194 -0.194 25829 384 1 . 1 1 414 414 VAL H H 414 7.158 7.158 8.301 -1.143 25829 385 1 . 1 1 415 415 GLU N N 415 118.645 118.645 119.803 -1.158 25829 386 1 . 1 1 415 415 GLU HA H 415 3.957 3.957 3.946 0.011 25829 387 1 . 1 1 415 415 GLU CA C 415 58.698 58.698 59.751 -1.053 25829 388 1 . 1 1 415 415 GLU CB C 415 28.535 28.535 29.392 -0.856 25829 389 1 . 1 1 415 415 GLU H H 415 8.023 8.023 7.886 0.137 25829 390 1 . 1 1 416 416 SER N N 416 113.570 113.570 114.917 -1.347 25829 391 1 . 1 1 416 416 SER HA H 416 4.230 4.230 4.220 0.010 25829 392 1 . 1 1 416 416 SER CA C 416 60.774 60.774 61.400 -0.626 25829 393 1 . 1 1 416 416 SER CB C 416 62.641 62.641 63.322 -0.681 25829 394 1 . 1 1 416 416 SER H H 416 7.668 7.668 7.586 0.082 25829 395 1 . 1 1 417 417 LEU N N 417 120.278 120.278 120.945 -0.667 25829 396 1 . 1 1 417 417 LEU HA H 417 4.220 4.220 4.310 -0.090 25829 397 1 . 1 1 417 417 LEU CA C 417 55.974 55.974 56.863 -0.889 25829 398 1 . 1 1 417 417 LEU CB C 417 42.477 42.477 42.247 0.230 25829 399 1 . 1 1 417 417 LEU H H 417 7.727 7.727 7.656 0.071 25829 400 1 . 1 1 418 418 CYS N N 418 116.200 116.200 119.036 -2.836 25829 401 1 . 1 1 418 418 CYS HA H 418 4.490 4.490 4.035 0.455 25829 402 1 . 1 1 418 418 CYS CA C 418 59.010 59.010 62.578 -3.568 25829 403 1 . 1 1 418 418 CYS CB C 418 27.300 27.300 27.081 0.219 25829 404 1 . 1 1 418 418 CYS H H 418 7.855 7.855 8.762 -0.908 25829 405 1 . 1 1 419 419 SER N N 419 116.680 116.680 115.801 0.879 25829 406 1 . 1 1 419 419 SER HA H 419 4.402 4.402 4.125 0.277 25829 407 1 . 1 1 419 419 SER CA C 419 58.284 58.284 61.547 -3.263 25829 408 1 . 1 1 419 419 SER CB C 419 63.179 63.179 63.022 0.157 25829 409 1 . 1 1 419 419 SER H H 419 7.813 7.813 7.926 -0.113 25829 410 1 . 1 1 420 420 GLU N N 420 122.629 122.629 119.201 3.428 25829 411 1 . 1 1 420 420 GLU HA H 420 4.338 4.338 4.350 -0.012 25829 412 1 . 1 1 420 420 GLU CA C 420 56.021 56.021 57.095 -1.074 25829 413 1 . 1 1 420 420 GLU CB C 420 29.569 29.569 29.953 -0.384 25829 414 1 . 1 1 420 420 GLU H H 420 8.456 8.456 7.685 0.771 25829 415 1 . 1 1 421 421 SER N N 421 116.600 116.600 114.730 1.870 25829 416 1 . 1 1 421 421 SER HA H 421 4.470 4.470 4.375 0.096 25829 417 1 . 1 1 421 421 SER CA C 421 57.800 57.800 59.376 -1.576 25829 418 1 . 1 1 421 421 SER CB C 421 63.180 63.180 63.165 0.015 25829 419 1 . 1 1 421 421 SER H H 421 8.321 8.321 7.755 0.565 25829 420 1 . 1 1 422 422 THR N N 422 115.756 115.756 116.516 -0.760 25829 421 1 . 1 1 422 422 THR HA H 422 4.331 4.331 4.388 -0.057 25829 422 1 . 1 1 422 422 THR CA C 422 61.100 61.100 61.788 -0.688 25829 423 1 . 1 1 422 422 THR CB C 422 69.000 69.000 69.319 -0.319 25829 424 1 . 1 1 422 422 THR H H 422 8.144 8.144 7.751 0.393 25829 425 1 . 1 1 423 423 ALA N N 423 126.280 126.280 127.039 -0.759 25829 426 1 . 1 1 423 423 ALA HA H 423 4.369 4.369 4.349 0.019 25829 427 1 . 1 1 423 423 ALA CA C 423 52.060 52.060 52.677 -0.617 25829 428 1 . 1 1 423 423 ALA CB C 423 18.600 18.600 19.115 -0.515 25829 429 1 . 1 1 423 423 ALA H H 423 8.233 8.233 8.285 -0.052 25829 430 1 . 1 1 424 424 THR N N 424 113.047 113.047 113.622 -0.575 25829 431 1 . 1 1 424 424 THR HA H 424 4.316 4.316 4.449 -0.133 25829 432 1 . 1 1 424 424 THR CA C 424 60.990 60.990 61.935 -0.945 25829 433 1 . 1 1 424 424 THR CB C 424 69.200 69.200 69.569 -0.369 25829 434 1 . 1 1 424 424 THR H H 424 8.061 8.061 8.165 -0.104 25829 435 1 . 1 1 425 425 SER N N 425 119.479 119.479 118.691 0.788 25829 436 1 . 1 1 425 425 SER HA H 425 4.755 4.755 4.714 0.041 25829 437 1 . 1 1 425 425 SER CA C 425 55.720 55.720 56.907 -1.187 25829 438 1 . 1 1 425 425 SER CB C 425 62.800 62.800 63.703 -0.903 25829 439 1 . 1 1 425 425 SER H H 425 8.215 8.215 8.230 -0.015 25829 440 1 . 1 1 426 426 PRO HA H 426 4.461 4.461 4.529 -0.068 25829 441 1 . 1 1 426 426 PRO CA C 426 62.851 62.851 63.309 -0.458 25829 442 1 . 1 1 426 426 PRO CB C 426 31.308 31.308 31.669 -0.361 25829 stop_ save_