data_15554_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15554
_Entry.PDB_ID 2JXC
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 10
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 51 . 1 1 1 A 7 7 TRP H H 122 8.903 8.605 0.298 1
1 52 . 1 1 1 A 7 7 TRP HA H 122 5.048 5.453 -0.405 1
1 61 . 1 1 1 A 7 7 TRP CA C 122 54.452 57.752 -3.300 1
1 62 . 1 1 1 A 7 7 TRP CB C 122 29.834 30.440 -0.606 1
1 68 . 1 1 1 A 7 7 TRP N N 122 123.342 124.877 -1.535 1
1 70 . 1 1 1 A 8 8 ALA H H 123 8.015 8.389 -0.374 1
1 71 . 1 1 1 A 8 8 ALA HA H 123 3.864 3.657 0.207 1
1 75 . 1 1 1 A 8 8 ALA CA C 123 53.436 54.844 -1.408 1
1 76 . 1 1 1 A 8 8 ALA CB C 123 19.174 17.597 1.577 1
1 77 . 1 1 1 A 8 8 ALA N N 123 128.053 129.337 -1.284 1
1 78 . 1 1 1 A 9 9 VAL H H 124 5.029 6.361 -1.332 1
1 79 . 1 1 1 A 9 9 VAL HA H 124 3.497 3.701 -0.204 1
1 87 . 1 1 1 A 9 9 VAL CA C 124 61.304 61.700 -0.396 1
1 88 . 1 1 1 A 9 9 VAL CB C 124 29.834 29.246 0.588 1
1 91 . 1 1 1 A 9 9 VAL N N 124 113.760 118.159 -4.399 1
1 92 . 1 1 1 A 10 10 LYS H H 125 8.812 8.115 0.697 1
1 93 . 1 1 1 A 10 10 LYS HA H 125 4.383 4.244 0.139 1
1 102 . 1 1 1 A 10 10 LYS CA C 125 54.959 55.319 -0.360 1
1 103 . 1 1 1 A 10 10 LYS CB C 125 30.849 32.087 -1.238 1
1 107 . 1 1 1 A 10 10 LYS N N 125 129.016 127.173 1.843 1
1 108 . 1 1 1 A 11 11 PRO HA H 126 4.229 4.332 -0.103 1
1 115 . 1 1 1 A 11 11 PRO CA C 126 65.872 65.700 0.172 1
1 116 . 1 1 1 A 11 11 PRO CB C 126 32.118 31.927 0.191 1
1 119 . 1 1 1 A 12 12 GLU H H 127 9.749 8.338 1.411 1
1 120 . 1 1 1 A 12 12 GLU HA H 127 4.075 4.089 -0.014 1
1 125 . 1 1 1 A 12 12 GLU CA C 127 59.464 59.567 -0.103 1
1 126 . 1 1 1 A 12 12 GLU CB C 127 28.565 29.185 -0.620 1
1 128 . 1 1 1 A 12 12 GLU N N 127 117.669 117.813 -0.144 1
1 129 . 1 1 1 A 13 13 ASP H H 128 6.907 8.498 -1.591 1
1 130 . 1 1 1 A 13 13 ASP HA H 128 4.115 4.134 -0.019 1
1 133 . 1 1 1 A 13 13 ASP CA C 128 56.482 55.949 0.533 1
1 134 . 1 1 1 A 13 13 ASP CB C 128 40.239 40.624 -0.385 1
1 135 . 1 1 1 A 13 13 ASP N N 128 120.880 118.623 2.257 1
1 136 . 1 1 1 A 14 14 LYS H H 129 8.162 8.491 -0.329 1
1 137 . 1 1 1 A 14 14 LYS HA H 129 3.645 4.030 -0.385 1
1 146 . 1 1 1 A 14 14 LYS CA C 129 58.512 59.523 -1.011 1
1 147 . 1 1 1 A 14 14 LYS CB C 129 32.118 32.410 -0.292 1
1 151 . 1 1 1 A 14 14 LYS N N 129 120.161 121.320 -1.159 1
1 152 . 1 1 1 A 15 15 ALA H H 130 7.836 8.119 -0.283 1
1 153 . 1 1 1 A 15 15 ALA HA H 130 4.254 4.070 0.184 1
1 157 . 1 1 1 A 15 15 ALA CA C 130 55.213 55.024 0.189 1
1 158 . 1 1 1 A 15 15 ALA CB C 130 17.906 18.316 -0.410 1
1 159 . 1 1 1 A 15 15 ALA N N 130 118.204 120.029 -1.825 1
1 160 . 1 1 1 A 16 16 LYS H H 131 7.055 7.684 -0.629 1
1 161 . 1 1 1 A 16 16 LYS HA H 131 4.128 4.126 0.002 1
1 170 . 1 1 1 A 16 16 LYS CA C 131 59.274 59.306 -0.032 1
1 171 . 1 1 1 A 16 16 LYS CB C 131 31.864 32.020 -0.156 1
1 175 . 1 1 1 A 16 16 LYS N N 131 119.703 119.628 0.075 1
1 176 . 1 1 1 A 17 17 TYR H H 132 8.606 8.222 0.384 1
1 177 . 1 1 1 A 17 17 TYR HA H 132 4.812 4.470 0.342 1
1 182 . 1 1 1 A 17 17 TYR CA C 132 58.005 61.583 -3.578 1
1 183 . 1 1 1 A 17 17 TYR CB C 132 35.417 37.773 -2.356 1
1 186 . 1 1 1 A 17 17 TYR N N 132 122.165 118.865 3.300 1
1 187 . 1 1 1 A 18 18 ASP H H 133 9.404 8.976 0.428 1
1 188 . 1 1 1 A 18 18 ASP HA H 133 4.456 4.603 -0.147 1
1 191 . 1 1 1 A 18 18 ASP CA C 133 57.497 57.451 0.046 1
1 192 . 1 1 1 A 18 18 ASP CB C 133 40.493 41.471 -0.978 1
1 193 . 1 1 1 A 18 18 ASP N N 133 121.201 121.289 -0.088 1
1 194 . 1 1 1 A 19 19 ALA H H 134 7.360 7.894 -0.534 1
1 195 . 1 1 1 A 19 19 ALA HA H 134 4.383 4.122 0.261 1
1 199 . 1 1 1 A 19 19 ALA CA C 134 54.959 55.093 -0.134 1
1 200 . 1 1 1 A 19 19 ALA CB C 134 17.906 18.606 -0.700 1
1 201 . 1 1 1 A 19 19 ALA N N 134 120.666 121.455 -0.789 1
1 202 . 1 1 1 A 20 20 ILE H H 135 7.778 7.929 -0.151 1
1 203 . 1 1 1 A 20 20 ILE HA H 135 3.795 3.907 -0.112 1
1 213 . 1 1 1 A 20 20 ILE CA C 135 64.857 64.551 0.306 1
1 214 . 1 1 1 A 20 20 ILE CB C 135 38.463 37.708 0.755 1
1 218 . 1 1 1 A 20 20 ILE N N 135 120.238 116.813 3.425 1
1 219 . 1 1 1 A 21 21 PHE H H 136 9.262 8.755 0.507 1
1 220 . 1 1 1 A 21 21 PHE HA H 136 3.195 3.928 -0.733 1
1 226 . 1 1 1 A 21 21 PHE CA C 136 62.065 62.276 -0.211 1
1 227 . 1 1 1 A 21 21 PHE CB C 136 38.970 39.325 -0.355 1
1 231 . 1 1 1 A 21 21 PHE N N 136 123.878 123.407 0.471 1
1 232 . 1 1 1 A 22 22 ASP H H 137 8.410 8.872 -0.462 1
1 233 . 1 1 1 A 22 22 ASP HA H 137 4.287 4.473 -0.186 1
1 236 . 1 1 1 A 22 22 ASP CA C 137 57.497 57.358 0.139 1
1 237 . 1 1 1 A 22 22 ASP CB C 137 40.493 41.906 -1.413 1
1 238 . 1 1 1 A 22 22 ASP N N 137 115.420 120.132 -4.712 1
1 239 . 1 1 1 A 23 23 SER H H 138 7.946 7.866 0.080 1
1 240 . 1 1 1 A 23 23 SER HA H 138 4.475 4.310 0.165 1
1 243 . 1 1 1 A 23 23 SER CA C 138 60.543 60.744 -0.201 1
1 244 . 1 1 1 A 23 23 SER CB C 138 63.334 62.849 0.485 1
1 245 . 1 1 1 A 23 23 SER N N 138 117.133 113.868 3.265 1
1 246 . 1 1 1 A 24 24 LEU H H 139 7.338 7.390 -0.052 1
1 247 . 1 1 1 A 24 24 LEU HA H 139 4.333 4.311 0.022 1
1 257 . 1 1 1 A 24 24 LEU CA C 139 54.452 54.332 0.120 1
1 258 . 1 1 1 A 24 24 LEU CB C 139 42.016 42.012 0.004 1
1 262 . 1 1 1 A 24 24 LEU N N 139 123.003 118.797 4.206 1
1 263 . 1 1 1 A 25 25 SER H H 140 7.698 8.019 -0.321 1
1 264 . 1 1 1 A 25 25 SER HA H 140 4.036 4.196 -0.160 1
1 268 . 1 1 1 A 25 25 SER CA C 140 58.005 58.633 -0.628 1
1 269 . 1 1 1 A 25 25 SER CB C 140 60.796 61.637 -0.841 1
1 270 . 1 1 1 A 25 25 SER N N 140 109.104 113.353 -4.249 1
1 271 . 1 1 1 A 26 26 PRO HA H 141 4.114 4.444 -0.330 1
1 278 . 1 1 1 A 26 26 PRO CA C 141 62.827 62.387 0.440 1
1 279 . 1 1 1 A 26 26 PRO CB C 141 32.650 32.992 -0.342 1
1 282 . 1 1 1 A 27 27 VAL H H 142 8.410 9.065 -0.655 1
1 283 . 1 1 1 A 27 27 VAL HA H 142 4.297 4.529 -0.232 1
1 291 . 1 1 1 A 27 27 VAL CA C 142 61.812 61.249 0.563 1
1 292 . 1 1 1 A 27 27 VAL CB C 142 33.641 32.184 1.457 1
1 295 . 1 1 1 A 27 27 VAL N N 142 120.987 120.690 0.297 1
1 296 . 1 1 1 A 28 28 ASN H H 143 9.694 9.640 0.054 1
1 297 . 1 1 1 A 28 28 ASN HA H 143 4.425 4.565 -0.140 1
1 302 . 1 1 1 A 28 28 ASN CA C 143 54.198 54.739 -0.541 1
1 303 . 1 1 1 A 28 28 ASN CB C 143 37.701 37.226 0.475 1
1 304 . 1 1 1 A 28 28 ASN N N 143 127.946 127.620 0.326 1
1 306 . 1 1 1 A 29 29 GLY H H 144 8.410 8.698 -0.288 1
1 307 . 1 1 1 A 29 29 GLY HA2 H 144 3.582 3.670 -0.088 1
1 308 . 1 1 1 A 29 29 GLY HA3 H 144 3.976 3.914 0.062 1
1 309 . 1 1 1 A 29 29 GLY CA C 144 44.808 45.586 -0.778 1
1 310 . 1 1 1 A 29 29 GLY N N 144 99.790 105.078 -5.288 1
1 311 . 1 1 1 A 30 30 PHE H H 145 7.749 8.460 -0.711 1
1 312 . 1 1 1 A 30 30 PHE HA H 145 5.476 5.405 0.071 1
1 318 . 1 1 1 A 30 30 PHE CA C 145 56.736 56.578 0.158 1
1 319 . 1 1 1 A 30 30 PHE CB C 145 44.554 42.985 1.569 1
1 323 . 1 1 1 A 30 30 PHE N N 145 115.206 118.407 -3.201 1
1 324 . 1 1 1 A 31 31 LEU H H 146 9.492 9.272 0.220 1
1 325 . 1 1 1 A 31 31 LEU HA H 146 4.765 5.104 -0.339 1
1 335 . 1 1 1 A 31 31 LEU CA C 146 52.929 53.359 -0.430 1
1 336 . 1 1 1 A 31 31 LEU CB C 146 45.569 44.935 0.634 1
1 340 . 1 1 1 A 31 31 LEU N N 146 121.522 122.680 -1.158 1
1 341 . 1 1 1 A 32 32 SER H H 147 7.822 8.452 -0.630 1
1 342 . 1 1 1 A 32 32 SER HA H 147 4.951 5.338 -0.387 1
1 345 . 1 1 1 A 32 32 SER CA C 147 57.243 56.289 0.954 1
1 346 . 1 1 1 A 32 32 SER CB C 147 64.603 66.454 -1.851 1
1 347 . 1 1 1 A 32 32 SER N N 147 116.938 115.009 1.929 1
1 348 . 1 1 1 A 33 33 GLY H H 148 9.072 9.016 0.056 1
1 349 . 1 1 1 A 33 33 GLY HA2 H 148 3.689 3.434 0.255 1
1 350 . 1 1 1 A 33 33 GLY HA3 H 148 3.690 3.640 0.050 1
1 351 . 1 1 1 A 33 33 GLY CA C 148 48.614 47.436 1.178 1
1 352 . 1 1 1 A 33 33 GLY N N 148 109.104 108.612 0.492 1
1 353 . 1 1 1 A 34 34 ASP H H 149 8.600 8.359 0.241 1
1 354 . 1 1 1 A 34 34 ASP HA H 149 4.222 4.239 -0.017 1
1 357 . 1 1 1 A 34 34 ASP CA C 149 56.228 56.495 -0.267 1
1 358 . 1 1 1 A 34 34 ASP CB C 149 39.985 39.766 0.219 1
1 359 . 1 1 1 A 34 34 ASP N N 149 117.454 121.312 -3.858 1
1 360 . 1 1 1 A 35 35 LYS H H 150 7.453 7.807 -0.354 1
1 361 . 1 1 1 A 35 35 LYS HA H 150 4.352 4.295 0.057 1
1 370 . 1 1 1 A 35 35 LYS CA C 150 57.497 57.642 -0.145 1
1 371 . 1 1 1 A 35 35 LYS CB C 150 34.402 33.371 1.031 1
1 375 . 1 1 1 A 35 35 LYS N N 150 117.347 118.321 -0.974 1
1 376 . 1 1 1 A 36 36 VAL H H 151 7.691 8.475 -0.784 1
1 377 . 1 1 1 A 36 36 VAL HA H 151 3.979 3.490 0.489 1
1 385 . 1 1 1 A 36 36 VAL CA C 151 65.365 66.680 -1.315 1
1 386 . 1 1 1 A 36 36 VAL CB C 151 33.894 31.674 2.220 1
1 389 . 1 1 1 A 36 36 VAL N N 151 116.919 120.587 -3.668 1
1 390 . 1 1 1 A 37 37 LYS H H 152 8.610 8.633 -0.023 1
1 391 . 1 1 1 A 37 37 LYS HA H 152 4.100 4.164 -0.064 1
1 399 . 1 1 1 A 37 37 LYS CA C 152 58.005 61.475 -3.470 1
1 400 . 1 1 1 A 37 37 LYS CB C 152 29.834 29.894 -0.060 1
1 404 . 1 1 1 A 37 37 LYS N N 152 120.916 120.462 0.454 1
1 405 . 1 1 1 A 38 38 PRO HA H 153 4.248 4.400 -0.152 1
1 412 . 1 1 1 A 38 38 PRO CA C 153 66.380 65.173 1.207 1
1 413 . 1 1 1 A 38 38 PRO CB C 153 31.610 31.395 0.215 1
1 416 . 1 1 1 A 39 39 VAL H H 154 7.059 7.187 -0.128 1
1 417 . 1 1 1 A 39 39 VAL HA H 154 4.100 3.968 0.132 1
1 425 . 1 1 1 A 39 39 VAL CA C 154 65.872 64.640 1.232 1
1 426 . 1 1 1 A 39 39 VAL CB C 154 32.118 31.460 0.658 1
1 429 . 1 1 1 A 39 39 VAL N N 154 116.812 116.297 0.515 1
1 430 . 1 1 1 A 40 40 LEU H H 155 8.203 8.263 -0.060 1
1 431 . 1 1 1 A 40 40 LEU HA H 155 4.206 4.159 0.047 1
1 441 . 1 1 1 A 40 40 LEU CA C 155 62.070 57.636 4.434 1
1 442 . 1 1 1 A 40 40 LEU CB C 155 42.121 41.555 0.566 1
1 445 . 1 1 1 A 40 40 LEU N N 155 117.561 120.858 -3.297 1
1 446 . 1 1 1 A 41 41 LEU H H 156 8.629 8.749 -0.120 1
1 447 . 1 1 1 A 41 41 LEU HA H 156 4.141 4.228 -0.087 1
1 457 . 1 1 1 A 41 41 LEU CA C 156 58.000 55.705 2.295 1
1 458 . 1 1 1 A 41 41 LEU CB C 156 41.762 40.959 0.803 1
1 462 . 1 1 1 A 42 42 ASN HA H 157 4.785 4.532 0.253 1
1 465 . 1 1 1 A 42 42 ASN CA C 157 54.959 55.729 -0.770 1
1 466 . 1 1 1 A 42 42 ASN CB C 157 37.701 38.328 -0.627 1
1 467 . 1 1 1 A 43 43 SER H H 158 7.849 7.621 0.228 1
1 468 . 1 1 1 A 43 43 SER HA H 158 3.480 4.726 -1.246 1
1 471 . 1 1 1 A 43 43 SER CA C 158 60.796 56.140 4.656 1
1 472 . 1 1 1 A 43 43 SER CB C 158 64.096 66.075 -1.979 1
1 473 . 1 1 1 A 43 43 SER N N 158 114.778 111.721 3.057 1
1 474 . 1 1 1 A 44 44 LYS H H 159 7.633 8.545 -0.912 1
1 475 . 1 1 1 A 44 44 LYS HA H 159 3.868 4.340 -0.472 1
1 484 . 1 1 1 A 44 44 LYS CA C 159 58.005 56.640 1.365 1
1 485 . 1 1 1 A 44 44 LYS CB C 159 29.341 32.678 -3.337 1
1 489 . 1 1 1 A 44 44 LYS N N 159 111.031 121.974 -10.943 1
1 490 . 1 1 1 A 45 45 LEU H H 160 7.287 7.008 0.279 1
1 491 . 1 1 1 A 45 45 LEU HA H 160 4.421 4.410 0.011 1
1 501 . 1 1 1 A 45 45 LEU CA C 160 53.183 53.234 -0.051 1
1 502 . 1 1 1 A 45 45 LEU CB C 160 41.508 41.323 0.185 1
1 506 . 1 1 1 A 45 45 LEU N N 160 121.094 122.498 -1.404 1
1 507 . 1 1 1 A 46 46 PRO HA H 161 4.493 4.729 -0.236 1
1 514 . 1 1 1 A 46 46 PRO CA C 161 62.065 61.892 0.173 1
1 515 . 1 1 1 A 46 46 PRO CB C 161 32.879 32.865 0.014 1
1 518 . 1 1 1 A 47 47 VAL H H 162 8.112 8.635 -0.523 1
1 519 . 1 1 1 A 47 47 VAL HA H 162 3.437 3.731 -0.294 1
1 527 . 1 1 1 A 47 47 VAL CA C 162 66.634 65.065 1.569 1
1 528 . 1 1 1 A 47 47 VAL CB C 162 28.508 31.550 -3.042 1
1 531 . 1 1 1 A 47 47 VAL N N 162 121.522 120.784 0.738 1
1 532 . 1 1 1 A 48 48 ASP H H 163 8.753 8.219 0.534 1
1 533 . 1 1 1 A 48 48 ASP HA H 163 4.582 4.359 0.223 1
1 536 . 1 1 1 A 48 48 ASP CA C 163 56.990 57.722 -0.732 1
1 537 . 1 1 1 A 48 48 ASP CB C 163 40.239 41.264 -1.025 1
1 538 . 1 1 1 A 48 48 ASP N N 163 117.454 120.071 -2.617 1
1 539 . 1 1 1 A 49 49 ILE H H 164 7.051 7.530 -0.479 1
1 540 . 1 1 1 A 49 49 ILE HA H 164 3.802 3.865 -0.063 1
1 550 . 1 1 1 A 49 49 ILE CA C 164 63.081 64.319 -1.238 1
1 551 . 1 1 1 A 49 49 ILE CB C 164 36.940 37.527 -0.587 1
1 555 . 1 1 1 A 49 49 ILE N N 164 119.167 118.170 0.997 1
1 556 . 1 1 1 A 50 50 LEU H H 165 7.626 8.339 -0.713 1
1 557 . 1 1 1 A 50 50 LEU HA H 165 3.447 4.049 -0.602 1
1 567 . 1 1 1 A 50 50 LEU CA C 165 57.751 58.342 -0.591 1
1 568 . 1 1 1 A 50 50 LEU CB C 165 40.239 41.661 -1.422 1
1 572 . 1 1 1 A 50 50 LEU N N 165 119.274 122.417 -3.143 1
1 573 . 1 1 1 A 51 51 GLY H H 166 8.744 8.555 0.189 1
1 574 . 1 1 1 A 51 51 GLY HA2 H 166 3.480 3.769 -0.289 1
1 575 . 1 1 1 A 51 51 GLY HA3 H 166 2.888 3.804 -0.916 1
1 576 . 1 1 1 A 51 51 GLY CA C 166 46.584 47.318 -0.734 1
1 577 . 1 1 1 A 51 51 GLY N N 166 104.501 106.266 -1.765 1
1 578 . 1 1 1 A 52 52 ARG H H 167 7.189 8.021 -0.832 1
1 579 . 1 1 1 A 52 52 ARG HA H 167 3.977 4.165 -0.188 1
1 586 . 1 1 1 A 52 52 ARG CA C 167 59.527 59.034 0.493 1
1 587 . 1 1 1 A 52 52 ARG CB C 167 29.834 29.829 0.005 1
1 590 . 1 1 1 A 52 52 ARG N N 167 122.700 122.036 0.664 1
1 591 . 1 1 1 A 53 53 VAL H H 168 8.411 8.496 -0.085 1
1 592 . 1 1 1 A 53 53 VAL HA H 168 3.390 3.703 -0.313 1
1 600 . 1 1 1 A 53 53 VAL CA C 168 67.395 66.599 0.796 1
1 601 . 1 1 1 A 53 53 VAL CB C 168 31.103 31.671 -0.568 1
1 604 . 1 1 1 A 53 53 VAL N N 168 119.596 119.262 0.334 1
1 605 . 1 1 1 A 54 54 TRP H H 169 8.573 8.463 0.110 1
1 606 . 1 1 1 A 54 54 TRP HA H 169 3.738 4.426 -0.688 1
1 615 . 1 1 1 A 54 54 TRP CA C 169 61.812 61.191 0.621 1
1 616 . 1 1 1 A 54 54 TRP CB C 169 27.550 29.714 -2.164 1
1 622 . 1 1 1 A 54 54 TRP N N 169 121.308 121.158 0.150 1
1 624 . 1 1 1 A 55 55 GLU H H 170 7.783 8.729 -0.946 1
1 625 . 1 1 1 A 55 55 GLU HA H 170 4.030 4.146 -0.116 1
1 630 . 1 1 1 A 55 55 GLU CA C 170 59.020 59.142 -0.122 1
1 631 . 1 1 1 A 55 55 GLU CB C 170 30.088 29.840 0.248 1
1 633 . 1 1 1 A 55 55 GLU N N 170 116.384 120.499 -4.115 1
1 634 . 1 1 1 A 56 56 LEU H H 171 8.005 7.892 0.113 1
1 635 . 1 1 1 A 56 56 LEU HA H 171 4.003 4.287 -0.284 1
1 645 . 1 1 1 A 56 56 LEU CA C 171 56.736 57.404 -0.668 1
1 646 . 1 1 1 A 56 56 LEU CB C 171 43.539 41.876 1.663 1
1 650 . 1 1 1 A 56 56 LEU N N 171 115.771 120.320 -4.549 1
1 651 . 1 1 1 A 57 57 SER H H 172 7.501 8.502 -1.001 1
1 652 . 1 1 1 A 57 57 SER HA H 172 4.154 4.299 -0.145 1
1 655 . 1 1 1 A 57 57 SER CA C 172 61.812 61.302 0.510 1
1 656 . 1 1 1 A 57 57 SER CB C 172 63.588 62.809 0.779 1
1 657 . 1 1 1 A 57 57 SER N N 172 112.209 114.137 -1.928 1
1 658 . 1 1 1 A 58 58 ASP H H 173 7.592 7.679 -0.087 1
1 659 . 1 1 1 A 58 58 ASP HA H 173 4.550 4.400 0.150 1
1 662 . 1 1 1 A 58 58 ASP CA C 173 51.914 53.006 -1.092 1
1 663 . 1 1 1 A 58 58 ASP CB C 173 36.940 39.471 -2.531 1
1 664 . 1 1 1 A 58 58 ASP N N 173 117.133 120.670 -3.537 1
1 665 . 1 1 1 A 59 59 ILE H H 174 8.078 7.729 0.349 1
1 666 . 1 1 1 A 59 59 ILE HA H 174 3.354 3.801 -0.447 1
1 676 . 1 1 1 A 59 59 ILE CA C 174 64.857 65.204 -0.347 1
1 677 . 1 1 1 A 59 59 ILE CB C 174 39.985 37.911 2.074 1
1 681 . 1 1 1 A 59 59 ILE N N 174 128.160 125.500 2.660 1
1 682 . 1 1 1 A 60 60 ASP H H 175 7.795 8.457 -0.662 1
1 683 . 1 1 1 A 60 60 ASP HA H 175 4.361 4.613 -0.252 1
1 686 . 1 1 1 A 60 60 ASP CA C 175 52.167 53.600 -1.433 1
1 687 . 1 1 1 A 60 60 ASP CB C 175 39.732 40.493 -0.761 1
1 688 . 1 1 1 A 60 60 ASP N N 175 113.493 117.510 -4.017 1
1 689 . 1 1 1 A 61 61 HIS H H 176 7.521 7.739 -0.218 1
1 690 . 1 1 1 A 61 61 HIS HA H 176 4.236 4.774 -0.538 1
1 694 . 1 1 1 A 61 61 HIS CA C 176 56.228 56.694 -0.466 1
1 695 . 1 1 1 A 61 61 HIS CB C 176 26.534 26.751 -0.217 1
1 697 . 1 1 1 A 61 61 HIS N N 176 112.637 114.231 -1.594 1
1 698 . 1 1 1 A 62 62 ASP H H 177 8.547 8.253 0.294 1
1 699 . 1 1 1 A 62 62 ASP HA H 177 4.769 4.469 0.300 1
1 702 . 1 1 1 A 62 62 ASP CA C 177 53.436 53.472 -0.036 1
1 703 . 1 1 1 A 62 62 ASP CB C 177 40.747 40.096 0.651 1
1 704 . 1 1 1 A 62 62 ASP N N 177 118.739 119.515 -0.776 1
1 705 . 1 1 1 A 63 63 GLY H H 178 10.793 8.816 1.977 1
1 706 . 1 1 1 A 63 63 GLY HA2 H 178 4.398 4.038 0.360 1
1 707 . 1 1 1 A 63 63 GLY HA3 H 178 3.946 4.135 -0.189 1
1 708 . 1 1 1 A 63 63 GLY CA C 178 46.330 45.565 0.765 1
1 709 . 1 1 1 A 63 63 GLY N N 178 112.958 111.125 1.833 1
1 710 . 1 1 1 A 64 64 MET H H 179 8.337 7.727 0.610 1
1 711 . 1 1 1 A 64 64 MET HA H 179 5.360 5.104 0.256 1
1 719 . 1 1 1 A 64 64 MET CA C 179 52.929 54.188 -1.259 1
1 720 . 1 1 1 A 64 64 MET CB C 179 36.432 37.271 -0.839 1
1 722 . 1 1 1 A 64 64 MET N N 179 118.525 119.684 -1.159 1
1 723 . 1 1 1 A 65 65 LEU H H 180 9.471 10.091 -0.620 1
1 724 . 1 1 1 A 65 65 LEU HA H 180 5.838 4.964 0.874 1
1 734 . 1 1 1 A 65 65 LEU CA C 180 53.436 53.956 -0.520 1
1 735 . 1 1 1 A 65 65 LEU CB C 180 43.285 42.592 0.693 1
1 739 . 1 1 1 A 65 65 LEU N N 180 120.987 123.652 -2.665 1
1 740 . 1 1 1 A 66 66 ASP H H 181 9.203 8.788 0.415 1
1 741 . 1 1 1 A 66 66 ASP HA H 181 5.378 4.553 0.825 1
1 744 . 1 1 1 A 66 66 ASP CA C 181 51.914 53.347 -1.433 1
1 745 . 1 1 1 A 66 66 ASP CB C 181 40.493 41.869 -1.376 1
1 746 . 1 1 1 A 66 66 ASP N N 181 124.306 125.503 -1.197 1
1 747 . 1 1 1 A 67 67 ARG H H 182 8.130 8.302 -0.172 1
1 748 . 1 1 1 A 67 67 ARG HA H 182 2.758 3.137 -0.379 1
1 755 . 1 1 1 A 67 67 ARG CA C 182 60.543 59.503 1.040 1
1 756 . 1 1 1 A 67 67 ARG CB C 182 30.595 29.561 1.034 1
1 759 . 1 1 1 A 67 67 ARG N N 182 117.454 125.728 -8.274 1
1 760 . 1 1 1 A 68 68 ASP H H 183 7.871 8.358 -0.487 1
1 761 . 1 1 1 A 68 68 ASP HA H 183 4.748 4.657 0.091 1
1 764 . 1 1 1 A 68 68 ASP CA C 183 57.497 56.820 0.677 1
1 765 . 1 1 1 A 68 68 ASP CB C 183 40.747 40.544 0.203 1
1 766 . 1 1 1 A 68 68 ASP N N 183 119.703 119.316 0.387 1
1 767 . 1 1 1 A 69 69 GLU H H 184 8.775 8.279 0.496 1
1 768 . 1 1 1 A 69 69 GLU HA H 184 3.975 4.155 -0.180 1
1 773 . 1 1 1 A 69 69 GLU CA C 184 59.781 59.218 0.563 1
1 774 . 1 1 1 A 69 69 GLU CB C 184 31.762 29.546 2.216 1
1 776 . 1 1 1 A 69 69 GLU N N 184 120.987 120.985 0.002 1
1 777 . 1 1 1 A 70 70 PHE H H 185 9.331 9.104 0.227 1
1 778 . 1 1 1 A 70 70 PHE HA H 185 4.198 4.151 0.047 1
1 784 . 1 1 1 A 70 70 PHE CA C 185 61.812 61.691 0.121 1
1 785 . 1 1 1 A 70 70 PHE CB C 185 39.957 38.958 0.999 1
1 788 . 1 1 1 A 70 70 PHE N N 185 118.632 122.431 -3.799 1
1 789 . 1 1 1 A 71 71 ALA H H 186 7.622 8.253 -0.631 1
1 790 . 1 1 1 A 71 71 ALA HA H 186 3.991 4.084 -0.093 1
1 794 . 1 1 1 A 71 71 ALA CA C 186 55.213 55.253 -0.040 1
1 795 . 1 1 1 A 71 71 ALA CB C 186 18.921 18.247 0.674 1
1 796 . 1 1 1 A 71 71 ALA N N 186 120.131 121.369 -1.238 1
1 797 . 1 1 1 A 72 72 VAL H H 187 7.670 8.140 -0.470 1
1 798 . 1 1 1 A 72 72 VAL HA H 187 3.438 3.468 -0.030 1
1 806 . 1 1 1 A 72 72 VAL CA C 187 67.617 66.707 0.910 1
1 807 . 1 1 1 A 72 72 VAL CB C 187 31.357 31.632 -0.275 1
1 810 . 1 1 1 A 72 72 VAL N N 187 117.776 119.316 -1.540 1
1 811 . 1 1 1 A 73 73 ALA H H 188 8.040 8.153 -0.113 1
1 812 . 1 1 1 A 73 73 ALA HA H 188 3.892 3.966 -0.074 1
1 816 . 1 1 1 A 73 73 ALA CA C 188 55.974 55.541 0.433 1
1 817 . 1 1 1 A 73 73 ALA CB C 188 16.637 18.586 -1.949 1
1 818 . 1 1 1 A 73 73 ALA N N 188 122.058 121.951 0.107 1
1 819 . 1 1 1 A 74 74 MET H H 189 7.908 8.136 -0.228 1
1 820 . 1 1 1 A 74 74 MET HA H 189 3.900 3.824 0.076 1
1 828 . 1 1 1 A 74 74 MET CA C 189 55.974 58.264 -2.290 1
1 829 . 1 1 1 A 74 74 MET CB C 189 29.072 31.140 -2.068 1
1 832 . 1 1 1 A 74 74 MET N N 189 114.029 117.001 -2.972 1
1 833 . 1 1 1 A 75 75 PHE H H 190 8.298 7.700 0.598 1
1 834 . 1 1 1 A 75 75 PHE HA H 190 4.245 4.377 -0.132 1
1 840 . 1 1 1 A 75 75 PHE CA C 190 61.812 61.284 0.528 1
1 841 . 1 1 1 A 75 75 PHE CB C 190 39.732 39.289 0.443 1
1 844 . 1 1 1 A 75 75 PHE N N 190 121.174 121.976 -0.802 1
1 845 . 1 1 1 A 76 76 LEU H H 191 8.761 8.083 0.678 1
1 846 . 1 1 1 A 76 76 LEU HA H 191 3.987 3.955 0.032 1
1 856 . 1 1 1 A 76 76 LEU CA C 191 58.005 57.485 0.520 1
1 857 . 1 1 1 A 76 76 LEU CB C 191 43.792 41.390 2.402 1
1 859 . 1 1 1 A 76 76 LEU N N 191 119.596 119.603 -0.007 1
1 860 . 1 1 1 A 77 77 VAL H H 192 8.392 7.854 0.538 1
1 861 . 1 1 1 A 77 77 VAL HA H 192 3.205 3.495 -0.290 1
1 869 . 1 1 1 A 77 77 VAL CA C 192 67.395 66.241 1.154 1
1 870 . 1 1 1 A 77 77 VAL CB C 192 30.595 31.602 -1.007 1
1 873 . 1 1 1 A 77 77 VAL N N 192 120.773 119.306 1.467 1
1 874 . 1 1 1 A 78 78 TYR H H 193 8.617 7.961 0.656 1
1 875 . 1 1 1 A 78 78 TYR HA H 193 3.916 4.265 -0.349 1
1 880 . 1 1 1 A 78 78 TYR CA C 193 64.350 60.807 3.543 1
1 881 . 1 1 1 A 78 78 TYR CB C 193 36.940 37.202 -0.262 1
1 884 . 1 1 1 A 78 78 TYR N N 193 118.418 118.203 0.215 1
1 885 . 1 1 1 A 79 79 CYS H H 194 7.979 7.923 0.056 1
1 886 . 1 1 1 A 79 79 CYS HA H 194 3.980 3.865 0.115 1
1 889 . 1 1 1 A 79 79 CYS CA C 194 63.842 62.158 1.684 1
1 890 . 1 1 1 A 79 79 CYS CB C 194 25.773 26.559 -0.786 1
1 891 . 1 1 1 A 79 79 CYS N N 194 117.133 118.543 -1.410 1
1 892 . 1 1 1 A 80 80 ALA H H 195 7.979 7.402 0.577 1
1 893 . 1 1 1 A 80 80 ALA HA H 195 4.372 4.083 0.289 1
1 897 . 1 1 1 A 80 80 ALA CA C 195 54.959 54.942 0.017 1
1 898 . 1 1 1 A 80 80 ALA CB C 195 17.906 18.209 -0.303 1
1 899 . 1 1 1 A 80 80 ALA N N 195 123.128 122.965 0.163 1
1 900 . 1 1 1 A 81 81 LEU H H 196 8.620 7.892 0.728 1
1 901 . 1 1 1 A 81 81 LEU HA H 196 3.957 3.991 -0.034 1
1 911 . 1 1 1 A 81 81 LEU CA C 196 57.497 57.669 -0.172 1
1 912 . 1 1 1 A 81 81 LEU CB C 196 40.747 41.435 -0.688 1
1 916 . 1 1 1 A 81 81 LEU N N 196 123.021 118.826 4.195 1
1 917 . 1 1 1 A 82 82 GLU H H 197 7.483 8.160 -0.677 1
1 918 . 1 1 1 A 82 82 GLU HA H 197 4.497 4.453 0.044 1
1 923 . 1 1 1 A 82 82 GLU CA C 197 56.418 56.052 0.366 1
1 924 . 1 1 1 A 82 82 GLU CB C 197 28.819 29.890 -1.071 1
1 926 . 1 1 1 A 82 82 GLU N N 197 118.311 119.196 -0.885 1
1 927 . 1 1 1 A 83 83 LYS H H 198 7.832 7.597 0.235 1
1 928 . 1 1 1 A 83 83 LYS HA H 198 3.805 3.798 0.007 1
1 937 . 1 1 1 A 83 83 LYS CA C 198 57.497 57.323 0.174 1
1 938 . 1 1 1 A 83 83 LYS CB C 198 28.057 28.988 -0.931 1
1 942 . 1 1 1 A 83 83 LYS N N 198 111.674 116.004 -4.330 1
1 943 . 1 1 1 A 84 84 GLU H H 199 8.098 7.889 0.209 1
1 944 . 1 1 1 A 84 84 GLU HA H 199 4.635 4.832 -0.197 1
1 949 . 1 1 1 A 84 84 GLU CA C 199 53.944 52.853 1.091 1
1 950 . 1 1 1 A 84 84 GLU CB C 199 29.580 32.242 -2.662 1
1 952 . 1 1 1 A 84 84 GLU N N 199 121.737 118.878 2.859 1
1 953 . 1 1 1 A 85 85 PRO HA H 200 4.344 4.444 -0.100 1
1 960 . 1 1 1 A 85 85 PRO CA C 200 62.065 63.154 -1.089 1
1 961 . 1 1 1 A 85 85 PRO CB C 200 32.118 32.105 0.013 1
1 964 . 1 1 1 A 86 86 VAL H H 201 8.534 8.344 0.190 1
1 965 . 1 1 1 A 86 86 VAL HA H 201 4.275 4.505 -0.230 1
1 973 . 1 1 1 A 86 86 VAL CA C 201 60.035 59.159 0.876 1
1 974 . 1 1 1 A 86 86 VAL CB C 201 32.118 33.342 -1.224 1
1 977 . 1 1 1 A 86 86 VAL N N 201 125.055 117.346 7.709 1
1 978 . 1 1 1 A 87 87 PRO HA H 202 4.571 4.878 -0.307 1
1 985 . 1 1 1 A 87 87 PRO CA C 202 62.827 61.986 0.841 1
1 986 . 1 1 1 A 87 87 PRO CB C 202 32.879 33.052 -0.173 1
1 989 . 1 1 1 A 88 88 MET H H 203 8.536 8.881 -0.345 1
1 990 . 1 1 1 A 88 88 MET HA H 203 4.437 4.645 -0.208 1
1 998 . 1 1 1 A 88 88 MET CA C 203 55.974 55.169 0.805 1
1 999 . 1 1 1 A 88 88 MET CB C 203 32.372 32.967 -0.595 1
1 1001 . 1 1 1 A 88 88 MET N N 203 114.671 119.450 -4.779 1
1 1002 . 1 1 1 A 89 89 SER H H 204 7.588 7.656 -0.068 1
1 1003 . 1 1 1 A 89 89 SER HA H 204 4.482 4.943 -0.461 1
1 1006 . 1 1 1 A 89 89 SER CA C 204 56.482 55.569 0.913 1
1 1007 . 1 1 1 A 89 89 SER CB C 204 65.111 65.610 -0.499 1
1 1008 . 1 1 1 A 89 89 SER N N 204 110.603 113.327 -2.724 1
1 1009 . 1 1 1 A 90 90 LEU H H 205 9.188 8.441 0.747 1
1 1010 . 1 1 1 A 90 90 LEU HA H 205 4.314 4.535 -0.221 1
1 1020 . 1 1 1 A 90 90 LEU CA C 205 53.436 52.520 0.916 1
1 1021 . 1 1 1 A 90 90 LEU CB C 205 41.785 42.960 -1.175 1
1 1024 . 1 1 1 A 90 90 LEU N N 205 124.627 125.613 -0.986 1
1 1025 . 1 1 1 A 91 91 PRO HA H 206 4.794 4.774 0.020 1
1 1032 . 1 1 1 A 91 91 PRO CA C 206 61.304 62.115 -0.811 1
1 1033 . 1 1 1 A 91 91 PRO CB C 206 31.116 31.739 -0.623 1
1 1036 . 1 1 1 A 92 92 PRO HA H 207 4.221 4.319 -0.098 1
1 1043 . 1 1 1 A 92 92 PRO CA C 207 66.057 64.797 1.260 1
1 1044 . 1 1 1 A 92 92 PRO CB C 207 31.889 31.825 0.064 1
1 1047 . 1 1 1 A 93 93 ALA H H 208 8.509 8.152 0.357 1
1 1048 . 1 1 1 A 93 93 ALA HA H 208 4.181 4.210 -0.029 1
1 1052 . 1 1 1 A 93 93 ALA CA C 208 54.198 54.208 -0.010 1
1 1053 . 1 1 1 A 93 93 ALA CB C 208 18.413 18.348 0.065 1
1 1054 . 1 1 1 A 93 93 ALA N N 208 115.742 120.248 -4.506 1
1 1055 . 1 1 1 A 94 94 LEU H H 209 8.225 7.963 0.262 1
1 1056 . 1 1 1 A 94 94 LEU HA H 209 4.341 4.444 -0.103 1
1 1066 . 1 1 1 A 94 94 LEU CA C 209 54.452 54.005 0.447 1
1 1067 . 1 1 1 A 94 94 LEU CB C 209 43.285 42.218 1.067 1
1 1071 . 1 1 1 A 94 94 LEU N N 209 118.204 111.527 6.677 1
1 1072 . 1 1 1 A 95 95 VAL H H 210 7.400 7.613 -0.213 1
1 1073 . 1 1 1 A 95 95 VAL HA H 210 3.762 4.532 -0.770 1
1 1081 . 1 1 1 A 95 95 VAL CA C 210 61.812 60.541 1.271 1
1 1082 . 1 1 1 A 95 95 VAL CB C 210 32.118 32.700 -0.582 1
1 1085 . 1 1 1 A 95 95 VAL N N 210 123.021 121.520 1.501 1
1 1089 . 1 1 1 A 97 97 PRO HA H 212 3.641 4.171 -0.530 1
1 1096 . 1 1 1 A 97 97 PRO CA C 212 66.126 65.246 0.880 1
1 1097 . 1 1 1 A 97 97 PRO CB C 212 31.864 31.701 0.163 1
1 1100 . 1 1 1 A 98 98 SER H H 213 8.243 8.018 0.225 1
1 1101 . 1 1 1 A 98 98 SER HA H 213 4.124 4.192 -0.068 1
1 1104 . 1 1 1 A 98 98 SER CA C 213 59.781 60.527 -0.746 1
1 1105 . 1 1 1 A 98 98 SER CB C 213 62.573 63.043 -0.470 1
1 1106 . 1 1 1 A 98 98 SER N N 213 110.924 111.745 -0.821 1
1 1107 . 1 1 1 A 99 99 LYS H H 214 8.125 7.866 0.259 1
1 1108 . 1 1 1 A 99 99 LYS HA H 214 4.563 4.498 0.065 1
1 1117 . 1 1 1 A 99 99 LYS CA C 214 54.198 55.324 -1.126 1
1 1118 . 1 1 1 A 99 99 LYS CB C 214 32.879 32.387 0.492 1
1 1122 . 1 1 1 A 99 99 LYS N N 214 120.024 117.642 2.382 1
1 1180 . 1 2 2 B 7 7 SER HA H 302 4.483 4.457 0.026 1
1 1183 . 1 2 2 B 7 7 SER CA C 302 58.429 57.794 0.635 1
1 1184 . 1 2 2 B 7 7 SER CB C 302 63.758 62.059 1.699 1
1 1185 . 1 2 2 B 8 8 VAL H H 303 8.238 7.864 0.374 1
1 1186 . 1 2 2 B 8 8 VAL HA H 303 4.252 4.379 -0.127 1
1 1194 . 1 2 2 B 8 8 VAL CA C 303 62.311 61.261 1.050 1
1 1195 . 1 2 2 B 8 8 VAL CB C 303 32.824 33.184 -0.360 1
1 1198 . 1 2 2 B 8 8 VAL N N 303 121.875 126.850 -4.975 1
1 1199 . 1 2 2 B 9 9 THR H H 304 8.221 7.856 0.365 1
1 1200 . 1 2 2 B 9 9 THR HA H 304 4.369 4.147 0.222 1
1 1205 . 1 2 2 B 9 9 THR CA C 304 61.795 64.146 -2.351 1
1 1206 . 1 2 2 B 9 9 THR CB C 304 69.666 69.488 0.178 1
1 1208 . 1 2 2 B 9 9 THR N N 304 117.435 117.529 -0.094 1
1 1209 . 1 2 2 B 10 10 GLU H H 305 8.342 7.777 0.565 1
1 1210 . 1 2 2 B 10 10 GLU HA H 305 4.292 4.716 -0.424 1
1 1215 . 1 2 2 B 10 10 GLU CA C 305 56.488 55.033 1.455 1
1 1216 . 1 2 2 B 10 10 GLU CB C 305 30.344 31.020 -0.676 1
1 1218 . 1 2 2 B 10 10 GLU N N 305 123.467 121.130 2.337 1
1 1219 . 1 2 2 B 11 11 ALA H H 306 8.299 8.605 -0.306 1
1 1220 . 1 2 2 B 11 11 ALA HA H 306 4.330 4.705 -0.375 1
1 1224 . 1 2 2 B 11 11 ALA CA C 306 52.164 50.888 1.276 1
1 1225 . 1 2 2 B 11 11 ALA CB C 306 19.377 19.759 -0.382 1
1 1226 . 1 2 2 B 11 11 ALA N N 306 124.975 130.192 -5.217 1
1 1227 . 1 2 2 B 12 12 SER H H 307 8.304 7.525 0.779 1
1 1228 . 1 2 2 B 12 12 SER HA H 307 4.628 4.539 0.089 1
1 1231 . 1 2 2 B 12 12 SER CA C 307 56.214 57.114 -0.900 1
1 1232 . 1 2 2 B 12 12 SER CB C 307 63.419 63.828 -0.409 1
1 1233 . 1 2 2 B 12 12 SER N N 307 116.597 115.354 1.243 1
1 1234 . 1 2 2 B 13 13 PRO HA H 308 4.395 4.475 -0.080 1
1 1241 . 1 2 2 B 13 13 PRO CA C 308 63.060 63.636 -0.576 1
1 1242 . 1 2 2 B 13 13 PRO CB C 308 31.844 31.626 0.218 1
1 1245 . 1 2 2 B 14 14 TRP H H 309 8.038 7.653 0.385 1
1 1246 . 1 2 2 B 14 14 TRP HA H 309 4.930 5.012 -0.082 1
1 1255 . 1 2 2 B 14 14 TRP CA C 309 54.944 56.267 -1.323 1
1 1256 . 1 2 2 B 14 14 TRP CB C 309 30.324 33.524 -3.200 1
1 1262 . 1 2 2 B 14 14 TRP N N 309 121.372 121.608 -0.236 1
1 1264 . 1 2 2 B 15 15 ARG H H 310 8.827 8.994 -0.167 1
1 1265 . 1 2 2 B 15 15 ARG HA H 310 4.336 4.547 -0.211 1
1 1272 . 1 2 2 B 15 15 ARG CA C 310 56.617 55.373 1.244 1
1 1273 . 1 2 2 B 15 15 ARG CB C 310 31.336 30.029 1.307 1
1 1276 . 1 2 2 B 15 15 ARG N N 310 122.043 121.124 0.919 1
1 1277 . 1 2 2 B 16 16 ALA H H 311 8.551 8.154 0.397 1
1 1278 . 1 2 2 B 16 16 ALA HA H 311 4.140 4.054 0.086 1
1 1282 . 1 2 2 B 16 16 ALA CA C 311 54.460 54.625 -0.165 1
1 1283 . 1 2 2 B 16 16 ALA CB C 311 18.884 16.988 1.896 1
1 1284 . 1 2 2 B 16 16 ALA N N 311 120.702 119.238 1.464 1
1 1285 . 1 2 2 B 17 17 THR H H 312 7.286 8.499 -1.213 1
1 1286 . 1 2 2 B 17 17 THR HA H 312 4.219 4.216 0.003 1
1 1291 . 1 2 2 B 17 17 THR CA C 312 60.544 63.571 -3.027 1
1 1292 . 1 2 2 B 17 17 THR CB C 312 68.647 69.346 -0.699 1
1 1294 . 1 2 2 B 17 17 THR N N 312 124.807 109.213 15.594 1
1 1295 . 1 2 2 B 18 18 ASN H H 313 7.918 7.937 -0.019 1
1 1296 . 1 2 2 B 18 18 ASN HA H 313 4.269 5.019 -0.750 1
1 1301 . 1 2 2 B 18 18 ASN CA C 313 50.640 50.287 0.353 1
1 1302 . 1 2 2 B 18 18 ASN CB C 313 39.462 40.185 -0.723 1
1 1303 . 1 2 2 B 18 18 ASN N N 313 123.467 122.328 1.139 1
1 1305 . 1 2 2 B 19 19 PRO HA H 314 4.135 4.414 -0.279 1
1 1312 . 1 2 2 B 19 19 PRO CA C 314 63.314 63.642 -0.328 1
1 1313 . 1 2 2 B 19 19 PRO CB C 314 31.336 32.902 -1.566 1
1 1316 . 1 2 2 B 20 20 PHE H H 315 8.568 8.088 0.480 1
1 1317 . 1 2 2 B 20 20 PHE HA H 315 4.144 4.480 -0.336 1
1 1323 . 1 2 2 B 20 20 PHE CA C 315 59.513 57.927 1.586 1
1 1324 . 1 2 2 B 20 20 PHE CB C 315 37.658 40.431 -2.773 1
1 1328 . 1 2 2 B 20 20 PHE N N 315 116.848 117.665 -0.817 1
1 1329 . 1 2 2 B 21 21 LEU H H 316 7.332 7.841 -0.509 1
1 1330 . 1 2 2 B 21 21 LEU HA H 316 4.393 4.100 0.293 1
1 1340 . 1 2 2 B 21 21 LEU CA C 316 55.961 57.111 -1.150 1
1 1341 . 1 2 2 B 21 21 LEU CB C 316 43.017 41.505 1.512 1
1 1345 . 1 2 2 B 21 21 LEU N N 316 120.283 116.420 3.863 1
1 1346 . 1 2 2 B 22 22 ASN H H 317 8.010 7.722 0.288 1
1 1347 . 1 2 2 B 22 22 ASN HA H 317 4.613 4.904 -0.291 1
1 1352 . 1 2 2 B 22 22 ASN CA C 317 53.224 52.477 0.747 1
1 1353 . 1 2 2 B 22 22 ASN CB C 317 38.714 36.751 1.963 1
1 1354 . 1 2 2 B 22 22 ASN N N 317 117.602 116.721 0.881 1
1 1356 . 1 2 2 B 23 23 GLU H H 318 8.344 8.037 0.307 1
1 1357 . 1 2 2 B 23 23 GLU HA H 318 4.373 4.508 -0.135 1
1 1362 . 1 2 2 B 23 23 GLU CA C 318 56.974 56.039 0.935 1
1 1363 . 1 2 2 B 23 23 GLU CB C 318 30.323 30.701 -0.378 1
1 1365 . 1 2 2 B 23 23 GLU N N 318 121.523 119.737 1.786 1
1 1366 . 1 2 2 B 24 24 THR H H 319 8.295 8.658 -0.363 1
1 1367 . 1 2 2 B 24 24 THR HA H 319 4.398 3.978 0.420 1
1 1372 . 1 2 2 B 24 24 THR CA C 319 61.940 62.710 -0.770 1
1 1373 . 1 2 2 B 24 24 THR CB C 319 70.138 66.350 3.788 1
1 1375 . 1 2 2 B 24 24 THR N N 319 115.089 111.768 3.321 1
1 1376 . 1 2 2 B 25 25 LEU H H 320 8.639 7.829 0.810 1
1 1377 . 1 2 2 B 25 25 LEU HA H 320 4.237 4.533 -0.296 1
1 1387 . 1 2 2 B 25 25 LEU CA C 320 55.196 55.379 -0.183 1
1 1388 . 1 2 2 B 25 25 LEU CB C 320 40.733 44.389 -3.656 1
1 1392 . 1 2 2 B 25 25 LEU N N 320 122.143 117.469 4.674 1
1 1393 . 1 2 2 B 26 26 GLN H H 321 8.121 7.756 0.365 1
1 1394 . 1 2 2 B 26 26 GLN HA H 321 4.217 4.485 -0.268 1
1 1401 . 1 2 2 B 26 26 GLN CA C 321 56.987 55.154 1.833 1
1 1402 . 1 2 2 B 26 26 GLN CB C 321 29.309 29.314 -0.005 1
1 1404 . 1 2 2 B 26 26 GLN N N 321 119.864 118.621 1.243 1
1 1406 . 1 2 2 B 27 27 ASP H H 322 8.489 8.010 0.479 1
1 1407 . 1 2 2 B 27 27 ASP HA H 322 4.656 4.786 -0.130 1
1 1410 . 1 2 2 B 27 27 ASP CA C 322 54.170 54.158 0.012 1
1 1411 . 1 2 2 B 27 27 ASP CB C 322 40.758 42.289 -1.531 1
1 1412 . 1 2 2 B 27 27 ASP N N 322 119.864 120.231 -0.367 1
1 1413 . 1 2 2 B 28 28 VAL H H 323 7.588 7.365 0.223 1
1 1414 . 1 2 2 B 28 28 VAL HA H 323 4.094 4.102 -0.008 1
1 1422 . 1 2 2 B 28 28 VAL CA C 323 61.797 62.629 -0.832 1
1 1423 . 1 2 2 B 28 28 VAL CB C 323 32.915 30.105 2.810 1
1 1426 . 1 2 2 B 28 28 VAL N N 323 119.446 122.256 -2.810 1
1 1427 . 1 2 2 B 29 29 GLN H H 324 8.451 8.306 0.145 1
1 1428 . 1 2 2 B 29 29 GLN HA H 324 4.633 4.959 -0.326 1
1 1435 . 1 2 2 B 29 29 GLN CA C 324 53.138 53.495 -0.357 1
1 1436 . 1 2 2 B 29 29 GLN CB C 324 28.795 29.839 -1.044 1
1 1438 . 1 2 2 B 29 29 GLN N N 324 125.897 127.158 -1.261 1
1 1440 . 1 2 2 B 30 30 PRO HA H 325 4.486 4.504 -0.018 1
1 1447 . 1 2 2 B 30 30 PRO CA C 325 62.553 62.876 -0.323 1
1 1448 . 1 2 2 B 30 30 PRO CB C 325 32.316 32.081 0.235 1
1 1451 . 1 2 2 B 31 31 SER H H 326 7.858 8.531 -0.673 1
1 1452 . 1 2 2 B 31 31 SER HA H 326 4.734 4.905 -0.171 1
1 1455 . 1 2 2 B 31 31 SER CA C 326 55.447 56.964 -1.517 1
1 1456 . 1 2 2 B 31 31 SER CB C 326 63.822 63.554 0.268 1
1 1457 . 1 2 2 B 31 31 SER N N 326 115.759 119.108 -3.349 1
1 1458 . 1 2 2 B 32 32 PRO HA H 327 4.554 4.559 -0.005 1
1 1465 . 1 2 2 B 32 32 PRO CA C 327 64.076 63.125 0.951 1
1 1466 . 1 2 2 B 32 32 PRO CB C 327 32.098 30.175 1.923 1
1 1469 . 1 2 2 B 33 33 ILE H H 328 8.233 8.021 0.212 1
1 1470 . 1 2 2 B 33 33 ILE HA H 328 3.829 4.315 -0.486 1
1 1480 . 1 2 2 B 33 33 ILE CA C 328 58.518 61.039 -2.521 1
1 1481 . 1 2 2 B 33 33 ILE CB C 328 36.419 38.083 -1.664 1
1 1485 . 1 2 2 B 33 33 ILE N N 328 121.037 119.898 1.139 1
1 1486 . 1 2 2 B 34 34 ASN H H 329 8.672 7.664 1.008 1
1 1487 . 1 2 2 B 34 34 ASN HA H 329 5.225 4.707 0.518 1
1 1492 . 1 2 2 B 34 34 ASN CA C 329 49.359 51.412 -2.053 1
1 1493 . 1 2 2 B 34 34 ASN CB C 329 38.952 38.327 0.625 1
1 1494 . 1 2 2 B 34 34 ASN N N 329 121.624 121.203 0.421 1
1 1496 . 1 2 2 B 35 35 PRO HA H 330 4.509 4.368 0.141 1
1 1503 . 1 2 2 B 35 35 PRO CA C 330 62.553 63.359 -0.806 1
1 1504 . 1 2 2 B 35 35 PRO CB C 330 31.844 32.419 -0.575 1
1 1507 . 1 2 2 B 36 36 PHE H H 331 7.738 7.709 0.029 1
1 1508 . 1 2 2 B 36 36 PHE HA H 331 4.836 4.704 0.132 1
1 1514 . 1 2 2 B 36 36 PHE CA C 331 56.981 56.920 0.061 1
1 1515 . 1 2 2 B 36 36 PHE CB C 331 39.210 38.946 0.264 1
1 1519 . 1 2 2 B 36 36 PHE N N 331 116.513 116.695 -0.182 1
1 1520 . 1 2 2 B 37 37 SER H H 332 7.221 7.538 -0.317 1
1 1521 . 1 2 2 B 37 37 SER HA H 332 4.273 3.934 0.339 1
1 1524 . 1 2 2 B 37 37 SER CA C 332 61.794 61.968 -0.174 1
1 1525 . 1 2 2 B 37 37 SER CB C 332 62.810 62.710 0.100 1
1 1526 . 1 2 2 B 37 37 SER N N 332 115.256 116.487 -1.231 1
1 1527 . 1 2 2 B 38 38 ALA H H 333 8.551 7.661 0.890 1
1 1528 . 1 2 2 B 38 38 ALA HA H 333 4.308 4.136 0.172 1
1 1532 . 1 2 2 B 38 38 ALA CA C 333 54.464 54.661 -0.197 1
1 1533 . 1 2 2 B 38 38 ALA CB C 333 18.148 18.343 -0.195 1
1 1534 . 1 2 2 B 38 38 ALA N N 333 123.216 123.635 -0.419 1
1 1535 . 1 2 2 B 39 39 PHE H H 334 7.842 7.718 0.124 1
1 1536 . 1 2 2 B 39 39 PHE HA H 334 4.165 4.255 -0.090 1
1 1542 . 1 2 2 B 39 39 PHE CA C 334 60.541 60.896 -0.355 1
1 1543 . 1 2 2 B 39 39 PHE CB C 334 38.703 38.547 0.156 1
1 1547 . 1 2 2 B 39 39 PHE N N 334 117.602 116.236 1.366 1
1 1548 . 1 2 2 B 40 40 PHE H H 335 7.668 7.594 0.074 1
1 1549 . 1 2 2 B 40 40 PHE HA H 335 4.626 4.473 0.153 1
1 1555 . 1 2 2 B 40 40 PHE CA C 335 58.997 62.267 -3.270 1
1 1556 . 1 2 2 B 40 40 PHE CB C 335 39.427 38.142 1.285 1
1 1560 . 1 2 2 B 40 40 PHE N N 335 117.267 117.868 -0.601 1
1 1561 . 1 2 2 B 41 41 GLU H H 336 8.105 8.381 -0.276 1
1 1562 . 1 2 2 B 41 41 GLU HA H 336 4.263 4.230 0.033 1
1 1567 . 1 2 2 B 41 41 GLU CA C 336 57.653 59.011 -1.358 1
1 1568 . 1 2 2 B 41 41 GLU CB C 336 30.320 29.719 0.601 1
1 1570 . 1 2 2 B 41 41 GLU N N 336 120.426 121.777 -1.351 1
1 1571 . 1 2 2 B 42 42 GLU H H 337 8.140 7.567 0.573 1
1 1572 . 1 2 2 B 42 42 GLU HA H 337 4.259 4.233 0.026 1
1 1577 . 1 2 2 B 42 42 GLU CA C 337 56.969 58.801 -1.832 1
1 1578 . 1 2 2 B 42 42 GLU CB C 337 30.018 30.662 -0.644 1
1 1580 . 1 2 2 B 42 42 GLU N N 337 120.291 119.427 0.864 1
1 1581 . 1 2 2 B 43 43 GLN H H 338 8.058 7.943 0.115 1
1 1582 . 1 2 2 B 43 43 GLN HA H 338 4.282 3.998 0.284 1
1 1587 . 1 2 2 B 43 43 GLN CA C 338 56.127 58.774 -2.647 1
1 1588 . 1 2 2 B 43 43 GLN CB C 338 29.560 27.134 2.426 1
1 1590 . 1 2 2 B 43 43 GLN N N 338 119.529 118.198 1.331 1
1 1591 . 1 2 2 B 44 44 GLU H H 339 8.254 8.263 -0.009 1
1 1592 . 1 2 2 B 44 44 GLU HA H 339 4.275 4.514 -0.239 1
1 1597 . 1 2 2 B 44 44 GLU CA C 339 56.683 56.314 0.369 1
1 1598 . 1 2 2 B 44 44 GLU N N 339 121.540 119.190 2.350 1
1 51 . 2 1 1 A 7 7 TRP H H 122 8.903 8.407 0.496 1
1 52 . 2 1 1 A 7 7 TRP HA H 122 5.048 5.502 -0.454 1
1 61 . 2 1 1 A 7 7 TRP CA C 122 54.452 57.570 -3.118 1
1 62 . 2 1 1 A 7 7 TRP CB C 122 29.834 30.510 -0.676 1
1 68 . 2 1 1 A 7 7 TRP N N 122 123.342 124.255 -0.913 1
1 70 . 2 1 1 A 8 8 ALA H H 123 8.015 8.813 -0.798 1
1 71 . 2 1 1 A 8 8 ALA HA H 123 3.864 3.691 0.173 1
1 75 . 2 1 1 A 8 8 ALA CA C 123 53.436 55.055 -1.619 1
1 76 . 2 1 1 A 8 8 ALA CB C 123 19.174 17.734 1.440 1
1 77 . 2 1 1 A 8 8 ALA N N 123 128.053 129.401 -1.348 1
1 78 . 2 1 1 A 9 9 VAL H H 124 5.029 6.459 -1.430 1
1 79 . 2 1 1 A 9 9 VAL HA H 124 3.497 3.664 -0.167 1
1 87 . 2 1 1 A 9 9 VAL CA C 124 61.304 61.977 -0.673 1
1 88 . 2 1 1 A 9 9 VAL CB C 124 29.834 29.944 -0.110 1
1 91 . 2 1 1 A 9 9 VAL N N 124 113.760 118.513 -4.753 1
1 92 . 2 1 1 A 10 10 LYS H H 125 8.812 7.902 0.910 1
1 93 . 2 1 1 A 10 10 LYS HA H 125 4.383 4.259 0.124 1
1 102 . 2 1 1 A 10 10 LYS CA C 125 54.959 54.918 0.041 1
1 103 . 2 1 1 A 10 10 LYS CB C 125 30.849 32.028 -1.179 1
1 107 . 2 1 1 A 10 10 LYS N N 125 129.016 127.911 1.105 1
1 108 . 2 1 1 A 11 11 PRO HA H 126 4.229 4.323 -0.094 1
1 115 . 2 1 1 A 11 11 PRO CA C 126 65.872 65.816 0.056 1
1 116 . 2 1 1 A 11 11 PRO CB C 126 32.118 31.905 0.213 1
1 119 . 2 1 1 A 12 12 GLU H H 127 9.749 8.331 1.418 1
1 120 . 2 1 1 A 12 12 GLU HA H 127 4.075 4.082 -0.007 1
1 125 . 2 1 1 A 12 12 GLU CA C 127 59.464 59.544 -0.080 1
1 126 . 2 1 1 A 12 12 GLU CB C 127 28.565 29.216 -0.651 1
1 128 . 2 1 1 A 12 12 GLU N N 127 117.669 117.823 -0.154 1
1 129 . 2 1 1 A 13 13 ASP H H 128 6.907 8.320 -1.413 1
1 130 . 2 1 1 A 13 13 ASP HA H 128 4.115 4.175 -0.060 1
1 133 . 2 1 1 A 13 13 ASP CA C 128 56.482 56.169 0.313 1
1 134 . 2 1 1 A 13 13 ASP CB C 128 40.239 40.690 -0.451 1
1 135 . 2 1 1 A 13 13 ASP N N 128 120.880 118.830 2.050 1
1 136 . 2 1 1 A 14 14 LYS H H 129 8.162 8.543 -0.381 1
1 137 . 2 1 1 A 14 14 LYS HA H 129 3.645 4.013 -0.368 1
1 146 . 2 1 1 A 14 14 LYS CA C 129 58.512 59.505 -0.993 1
1 147 . 2 1 1 A 14 14 LYS CB C 129 32.118 32.365 -0.247 1
1 151 . 2 1 1 A 14 14 LYS N N 129 120.161 121.309 -1.148 1
1 152 . 2 1 1 A 15 15 ALA H H 130 7.836 8.293 -0.457 1
1 153 . 2 1 1 A 15 15 ALA HA H 130 4.254 4.071 0.183 1
1 157 . 2 1 1 A 15 15 ALA CA C 130 55.213 55.092 0.121 1
1 158 . 2 1 1 A 15 15 ALA CB C 130 17.906 18.330 -0.424 1
1 159 . 2 1 1 A 15 15 ALA N N 130 118.204 120.197 -1.993 1
1 160 . 2 1 1 A 16 16 LYS H H 131 7.055 7.729 -0.674 1
1 161 . 2 1 1 A 16 16 LYS HA H 131 4.128 4.141 -0.013 1
1 170 . 2 1 1 A 16 16 LYS CA C 131 59.274 59.431 -0.157 1
1 171 . 2 1 1 A 16 16 LYS CB C 131 31.864 32.084 -0.220 1
1 175 . 2 1 1 A 16 16 LYS N N 131 119.703 119.861 -0.158 1
1 176 . 2 1 1 A 17 17 TYR H H 132 8.606 8.254 0.352 1
1 177 . 2 1 1 A 17 17 TYR HA H 132 4.812 4.449 0.363 1
1 182 . 2 1 1 A 17 17 TYR CA C 132 58.005 61.581 -3.576 1
1 183 . 2 1 1 A 17 17 TYR CB C 132 35.417 37.688 -2.271 1
1 186 . 2 1 1 A 17 17 TYR N N 132 122.165 118.980 3.185 1
1 187 . 2 1 1 A 18 18 ASP H H 133 9.404 8.829 0.575 1
1 188 . 2 1 1 A 18 18 ASP HA H 133 4.456 4.555 -0.099 1
1 191 . 2 1 1 A 18 18 ASP CA C 133 57.497 57.695 -0.198 1
1 192 . 2 1 1 A 18 18 ASP CB C 133 40.493 41.750 -1.257 1
1 193 . 2 1 1 A 18 18 ASP N N 133 121.201 121.220 -0.019 1
1 194 . 2 1 1 A 19 19 ALA H H 134 7.360 7.743 -0.383 1
1 195 . 2 1 1 A 19 19 ALA HA H 134 4.383 4.107 0.276 1
1 199 . 2 1 1 A 19 19 ALA CA C 134 54.959 55.091 -0.132 1
1 200 . 2 1 1 A 19 19 ALA CB C 134 17.906 18.609 -0.703 1
1 201 . 2 1 1 A 19 19 ALA N N 134 120.666 121.372 -0.706 1
1 202 . 2 1 1 A 20 20 ILE H H 135 7.778 7.889 -0.111 1
1 203 . 2 1 1 A 20 20 ILE HA H 135 3.795 3.892 -0.097 1
1 213 . 2 1 1 A 20 20 ILE CA C 135 64.857 64.545 0.312 1
1 214 . 2 1 1 A 20 20 ILE CB C 135 38.463 37.629 0.834 1
1 218 . 2 1 1 A 20 20 ILE N N 135 120.238 116.801 3.437 1
1 219 . 2 1 1 A 21 21 PHE H H 136 9.262 8.723 0.539 1
1 220 . 2 1 1 A 21 21 PHE HA H 136 3.195 3.990 -0.795 1
1 226 . 2 1 1 A 21 21 PHE CA C 136 62.065 62.287 -0.222 1
1 227 . 2 1 1 A 21 21 PHE CB C 136 38.970 39.327 -0.357 1
1 231 . 2 1 1 A 21 21 PHE N N 136 123.878 123.464 0.414 1
1 232 . 2 1 1 A 22 22 ASP H H 137 8.410 8.706 -0.296 1
1 233 . 2 1 1 A 22 22 ASP HA H 137 4.287 4.479 -0.192 1
1 236 . 2 1 1 A 22 22 ASP CA C 137 57.497 57.270 0.227 1
1 237 . 2 1 1 A 22 22 ASP CB C 137 40.493 41.793 -1.300 1
1 238 . 2 1 1 A 22 22 ASP N N 137 115.420 120.054 -4.634 1
1 239 . 2 1 1 A 23 23 SER H H 138 7.946 7.881 0.065 1
1 240 . 2 1 1 A 23 23 SER HA H 138 4.475 4.337 0.138 1
1 243 . 2 1 1 A 23 23 SER CA C 138 60.543 60.685 -0.142 1
1 244 . 2 1 1 A 23 23 SER CB C 138 63.334 62.737 0.597 1
1 245 . 2 1 1 A 23 23 SER N N 138 117.133 113.881 3.252 1
1 246 . 2 1 1 A 24 24 LEU H H 139 7.338 7.386 -0.048 1
1 247 . 2 1 1 A 24 24 LEU HA H 139 4.333 4.322 0.011 1
1 257 . 2 1 1 A 24 24 LEU CA C 139 54.452 54.369 0.083 1
1 258 . 2 1 1 A 24 24 LEU CB C 139 42.016 42.100 -0.084 1
1 262 . 2 1 1 A 24 24 LEU N N 139 123.003 118.749 4.254 1
1 263 . 2 1 1 A 25 25 SER H H 140 7.698 7.909 -0.211 1
1 264 . 2 1 1 A 25 25 SER HA H 140 4.036 4.108 -0.072 1
1 268 . 2 1 1 A 25 25 SER CA C 140 58.005 59.052 -1.047 1
1 269 . 2 1 1 A 25 25 SER CB C 140 60.796 61.571 -0.775 1
1 270 . 2 1 1 A 25 25 SER N N 140 109.104 114.743 -5.639 1
1 271 . 2 1 1 A 26 26 PRO HA H 141 4.114 4.466 -0.352 1
1 278 . 2 1 1 A 26 26 PRO CA C 141 62.827 62.472 0.355 1
1 279 . 2 1 1 A 26 26 PRO CB C 141 32.650 32.646 0.004 1
1 282 . 2 1 1 A 27 27 VAL H H 142 8.410 8.960 -0.550 1
1 283 . 2 1 1 A 27 27 VAL HA H 142 4.297 4.491 -0.194 1
1 291 . 2 1 1 A 27 27 VAL CA C 142 61.812 61.292 0.520 1
1 292 . 2 1 1 A 27 27 VAL CB C 142 33.641 31.979 1.662 1
1 295 . 2 1 1 A 27 27 VAL N N 142 120.987 121.298 -0.311 1
1 296 . 2 1 1 A 28 28 ASN H H 143 9.694 9.634 0.060 1
1 297 . 2 1 1 A 28 28 ASN HA H 143 4.425 4.549 -0.124 1
1 302 . 2 1 1 A 28 28 ASN CA C 143 54.198 54.610 -0.412 1
1 303 . 2 1 1 A 28 28 ASN CB C 143 37.701 37.176 0.525 1
1 304 . 2 1 1 A 28 28 ASN N N 143 127.946 127.508 0.438 1
1 306 . 2 1 1 A 29 29 GLY H H 144 8.410 8.634 -0.224 1
1 307 . 2 1 1 A 29 29 GLY HA2 H 144 3.582 3.578 0.004 1
1 308 . 2 1 1 A 29 29 GLY HA3 H 144 3.976 3.830 0.146 1
1 309 . 2 1 1 A 29 29 GLY CA C 144 44.808 45.445 -0.637 1
1 310 . 2 1 1 A 29 29 GLY N N 144 99.790 105.042 -5.252 1
1 311 . 2 1 1 A 30 30 PHE H H 145 7.749 8.252 -0.503 1
1 312 . 2 1 1 A 30 30 PHE HA H 145 5.476 5.398 0.078 1
1 318 . 2 1 1 A 30 30 PHE CA C 145 56.736 56.681 0.055 1
1 319 . 2 1 1 A 30 30 PHE CB C 145 44.554 42.793 1.761 1
1 323 . 2 1 1 A 30 30 PHE N N 145 115.206 118.356 -3.150 1
1 324 . 2 1 1 A 31 31 LEU H H 146 9.492 9.093 0.399 1
1 325 . 2 1 1 A 31 31 LEU HA H 146 4.765 5.157 -0.392 1
1 335 . 2 1 1 A 31 31 LEU CA C 146 52.929 53.357 -0.428 1
1 336 . 2 1 1 A 31 31 LEU CB C 146 45.569 44.880 0.689 1
1 340 . 2 1 1 A 31 31 LEU N N 146 121.522 122.200 -0.678 1
1 341 . 2 1 1 A 32 32 SER H H 147 7.822 8.402 -0.580 1
1 342 . 2 1 1 A 32 32 SER HA H 147 4.951 5.287 -0.336 1
1 345 . 2 1 1 A 32 32 SER CA C 147 57.243 56.345 0.898 1
1 346 . 2 1 1 A 32 32 SER CB C 147 64.603 66.603 -2.000 1
1 347 . 2 1 1 A 32 32 SER N N 147 116.938 115.222 1.716 1
1 348 . 2 1 1 A 33 33 GLY H H 148 9.072 8.995 0.077 1
1 349 . 2 1 1 A 33 33 GLY HA2 H 148 3.689 3.503 0.186 1
1 350 . 2 1 1 A 33 33 GLY HA3 H 148 3.690 3.522 0.168 1
1 351 . 2 1 1 A 33 33 GLY CA C 148 48.614 47.405 1.209 1
1 352 . 2 1 1 A 33 33 GLY N N 148 109.104 108.652 0.452 1
1 353 . 2 1 1 A 34 34 ASP H H 149 8.600 8.312 0.288 1
1 354 . 2 1 1 A 34 34 ASP HA H 149 4.222 4.244 -0.022 1
1 357 . 2 1 1 A 34 34 ASP CA C 149 56.228 56.462 -0.234 1
1 358 . 2 1 1 A 34 34 ASP CB C 149 39.985 39.478 0.507 1
1 359 . 2 1 1 A 34 34 ASP N N 149 117.454 121.813 -4.359 1
1 360 . 2 1 1 A 35 35 LYS H H 150 7.453 7.543 -0.090 1
1 361 . 2 1 1 A 35 35 LYS HA H 150 4.352 4.272 0.080 1
1 370 . 2 1 1 A 35 35 LYS CA C 150 57.497 57.773 -0.276 1
1 371 . 2 1 1 A 35 35 LYS CB C 150 34.402 33.408 0.994 1
1 375 . 2 1 1 A 35 35 LYS N N 150 117.347 118.387 -1.040 1
1 376 . 2 1 1 A 36 36 VAL H H 151 7.691 8.522 -0.831 1
1 377 . 2 1 1 A 36 36 VAL HA H 151 3.979 3.437 0.542 1
1 385 . 2 1 1 A 36 36 VAL CA C 151 65.365 66.606 -1.241 1
1 386 . 2 1 1 A 36 36 VAL CB C 151 33.894 31.571 2.323 1
1 389 . 2 1 1 A 36 36 VAL N N 151 116.919 120.644 -3.725 1
1 390 . 2 1 1 A 37 37 LYS H H 152 8.610 8.721 -0.111 1
1 391 . 2 1 1 A 37 37 LYS HA H 152 4.100 4.163 -0.063 1
1 399 . 2 1 1 A 37 37 LYS CA C 152 58.005 61.480 -3.475 1
1 400 . 2 1 1 A 37 37 LYS CB C 152 29.834 29.892 -0.058 1
1 404 . 2 1 1 A 37 37 LYS N N 152 120.916 120.519 0.397 1
1 405 . 2 1 1 A 38 38 PRO HA H 153 4.248 4.414 -0.166 1
1 412 . 2 1 1 A 38 38 PRO CA C 153 66.380 65.180 1.200 1
1 413 . 2 1 1 A 38 38 PRO CB C 153 31.610 31.303 0.307 1
1 416 . 2 1 1 A 39 39 VAL H H 154 7.059 7.183 -0.124 1
1 417 . 2 1 1 A 39 39 VAL HA H 154 4.100 3.962 0.138 1
1 425 . 2 1 1 A 39 39 VAL CA C 154 65.872 64.686 1.186 1
1 426 . 2 1 1 A 39 39 VAL CB C 154 32.118 31.358 0.760 1
1 429 . 2 1 1 A 39 39 VAL N N 154 116.812 116.408 0.404 1
1 430 . 2 1 1 A 40 40 LEU H H 155 8.203 8.323 -0.120 1
1 431 . 2 1 1 A 40 40 LEU HA H 155 4.206 4.138 0.068 1
1 441 . 2 1 1 A 40 40 LEU CA C 155 62.070 57.622 4.448 1
1 442 . 2 1 1 A 40 40 LEU CB C 155 42.121 41.431 0.690 1
1 445 . 2 1 1 A 40 40 LEU N N 155 117.561 121.069 -3.508 1
1 446 . 2 1 1 A 41 41 LEU H H 156 8.629 8.692 -0.063 1
1 447 . 2 1 1 A 41 41 LEU HA H 156 4.141 4.265 -0.124 1
1 457 . 2 1 1 A 41 41 LEU CA C 156 58.000 55.575 2.425 1
1 458 . 2 1 1 A 41 41 LEU CB C 156 41.762 40.922 0.840 1
1 462 . 2 1 1 A 42 42 ASN HA H 157 4.785 4.649 0.136 1
1 465 . 2 1 1 A 42 42 ASN CA C 157 54.959 55.498 -0.539 1
1 466 . 2 1 1 A 42 42 ASN CB C 157 37.701 38.324 -0.623 1
1 467 . 2 1 1 A 43 43 SER H H 158 7.849 7.602 0.247 1
1 468 . 2 1 1 A 43 43 SER HA H 158 3.480 4.714 -1.234 1
1 471 . 2 1 1 A 43 43 SER CA C 158 60.796 56.260 4.536 1
1 472 . 2 1 1 A 43 43 SER CB C 158 64.096 66.244 -2.148 1
1 473 . 2 1 1 A 43 43 SER N N 158 114.778 111.729 3.049 1
1 474 . 2 1 1 A 44 44 LYS H H 159 7.633 8.629 -0.996 1
1 475 . 2 1 1 A 44 44 LYS HA H 159 3.868 4.292 -0.424 1
1 484 . 2 1 1 A 44 44 LYS CA C 159 58.005 57.213 0.792 1
1 485 . 2 1 1 A 44 44 LYS CB C 159 29.341 32.012 -2.671 1
1 489 . 2 1 1 A 44 44 LYS N N 159 111.031 117.687 -6.656 1
1 490 . 2 1 1 A 45 45 LEU H H 160 7.287 7.275 0.012 1
1 491 . 2 1 1 A 45 45 LEU HA H 160 4.421 4.399 0.022 1
1 501 . 2 1 1 A 45 45 LEU CA C 160 53.183 53.014 0.169 1
1 502 . 2 1 1 A 45 45 LEU CB C 160 41.508 41.730 -0.222 1
1 506 . 2 1 1 A 45 45 LEU N N 160 121.094 123.307 -2.213 1
1 507 . 2 1 1 A 46 46 PRO HA H 161 4.493 4.601 -0.108 1
1 514 . 2 1 1 A 46 46 PRO CA C 161 62.065 62.330 -0.265 1
1 515 . 2 1 1 A 46 46 PRO CB C 161 32.879 33.011 -0.132 1
1 518 . 2 1 1 A 47 47 VAL H H 162 8.112 8.646 -0.534 1
1 519 . 2 1 1 A 47 47 VAL HA H 162 3.437 3.736 -0.299 1
1 527 . 2 1 1 A 47 47 VAL CA C 162 66.634 65.029 1.605 1
1 528 . 2 1 1 A 47 47 VAL CB C 162 28.508 31.460 -2.952 1
1 531 . 2 1 1 A 47 47 VAL N N 162 121.522 121.843 -0.321 1
1 532 . 2 1 1 A 48 48 ASP H H 163 8.753 8.515 0.238 1
1 533 . 2 1 1 A 48 48 ASP HA H 163 4.582 4.331 0.251 1
1 536 . 2 1 1 A 48 48 ASP CA C 163 56.990 56.970 0.020 1
1 537 . 2 1 1 A 48 48 ASP CB C 163 40.239 40.074 0.165 1
1 538 . 2 1 1 A 48 48 ASP N N 163 117.454 121.044 -3.590 1
1 539 . 2 1 1 A 49 49 ILE H H 164 7.051 7.781 -0.730 1
1 540 . 2 1 1 A 49 49 ILE HA H 164 3.802 3.846 -0.044 1
1 550 . 2 1 1 A 49 49 ILE CA C 164 63.081 64.322 -1.241 1
1 551 . 2 1 1 A 49 49 ILE CB C 164 36.940 37.433 -0.493 1
1 555 . 2 1 1 A 49 49 ILE N N 164 119.167 116.937 2.230 1
1 556 . 2 1 1 A 50 50 LEU H H 165 7.626 8.016 -0.390 1
1 557 . 2 1 1 A 50 50 LEU HA H 165 3.447 4.054 -0.607 1
1 567 . 2 1 1 A 50 50 LEU CA C 165 57.751 58.402 -0.651 1
1 568 . 2 1 1 A 50 50 LEU CB C 165 40.239 41.736 -1.497 1
1 572 . 2 1 1 A 50 50 LEU N N 165 119.274 121.976 -2.702 1
1 573 . 2 1 1 A 51 51 GLY H H 166 8.744 8.666 0.078 1
1 574 . 2 1 1 A 51 51 GLY HA2 H 166 3.480 3.756 -0.276 1
1 575 . 2 1 1 A 51 51 GLY HA3 H 166 2.888 3.791 -0.903 1
1 576 . 2 1 1 A 51 51 GLY CA C 166 46.584 47.330 -0.746 1
1 577 . 2 1 1 A 51 51 GLY N N 166 104.501 106.211 -1.710 1
1 578 . 2 1 1 A 52 52 ARG H H 167 7.189 7.904 -0.715 1
1 579 . 2 1 1 A 52 52 ARG HA H 167 3.977 4.173 -0.196 1
1 586 . 2 1 1 A 52 52 ARG CA C 167 59.527 58.866 0.661 1
1 587 . 2 1 1 A 52 52 ARG CB C 167 29.834 29.828 0.006 1
1 590 . 2 1 1 A 52 52 ARG N N 167 122.700 122.095 0.605 1
1 591 . 2 1 1 A 53 53 VAL H H 168 8.411 8.244 0.167 1
1 592 . 2 1 1 A 53 53 VAL HA H 168 3.390 3.674 -0.284 1
1 600 . 2 1 1 A 53 53 VAL CA C 168 67.395 66.601 0.794 1
1 601 . 2 1 1 A 53 53 VAL CB C 168 31.103 31.648 -0.545 1
1 604 . 2 1 1 A 53 53 VAL N N 168 119.596 118.702 0.894 1
1 605 . 2 1 1 A 54 54 TRP H H 169 8.573 8.431 0.142 1
1 606 . 2 1 1 A 54 54 TRP HA H 169 3.738 4.168 -0.430 1
1 615 . 2 1 1 A 54 54 TRP CA C 169 61.812 61.154 0.658 1
1 616 . 2 1 1 A 54 54 TRP CB C 169 27.550 29.634 -2.084 1
1 622 . 2 1 1 A 54 54 TRP N N 169 121.308 121.140 0.168 1
1 624 . 2 1 1 A 55 55 GLU H H 170 7.783 8.631 -0.848 1
1 625 . 2 1 1 A 55 55 GLU HA H 170 4.030 3.963 0.067 1
1 630 . 2 1 1 A 55 55 GLU CA C 170 59.020 59.022 -0.002 1
1 631 . 2 1 1 A 55 55 GLU CB C 170 30.088 29.589 0.499 1
1 633 . 2 1 1 A 55 55 GLU N N 170 116.384 119.944 -3.560 1
1 634 . 2 1 1 A 56 56 LEU H H 171 8.005 7.886 0.119 1
1 635 . 2 1 1 A 56 56 LEU HA H 171 4.003 4.186 -0.183 1
1 645 . 2 1 1 A 56 56 LEU CA C 171 56.736 57.499 -0.763 1
1 646 . 2 1 1 A 56 56 LEU CB C 171 43.539 42.293 1.246 1
1 650 . 2 1 1 A 56 56 LEU N N 171 115.771 120.420 -4.649 1
1 651 . 2 1 1 A 57 57 SER H H 172 7.501 8.816 -1.315 1
1 652 . 2 1 1 A 57 57 SER HA H 172 4.154 4.275 -0.121 1
1 655 . 2 1 1 A 57 57 SER CA C 172 61.812 61.426 0.386 1
1 656 . 2 1 1 A 57 57 SER CB C 172 63.588 62.560 1.028 1
1 657 . 2 1 1 A 57 57 SER N N 172 112.209 114.145 -1.936 1
1 658 . 2 1 1 A 58 58 ASP H H 173 7.592 7.527 0.065 1
1 659 . 2 1 1 A 58 58 ASP HA H 173 4.550 4.450 0.100 1
1 662 . 2 1 1 A 58 58 ASP CA C 173 51.914 53.190 -1.276 1
1 663 . 2 1 1 A 58 58 ASP CB C 173 36.940 39.559 -2.619 1
1 664 . 2 1 1 A 58 58 ASP N N 173 117.133 120.455 -3.322 1
1 665 . 2 1 1 A 59 59 ILE H H 174 8.078 7.925 0.153 1
1 666 . 2 1 1 A 59 59 ILE HA H 174 3.354 3.791 -0.437 1
1 676 . 2 1 1 A 59 59 ILE CA C 174 64.857 65.041 -0.184 1
1 677 . 2 1 1 A 59 59 ILE CB C 174 39.985 37.867 2.118 1
1 681 . 2 1 1 A 59 59 ILE N N 174 128.160 125.387 2.773 1
1 682 . 2 1 1 A 60 60 ASP H H 175 7.795 8.019 -0.224 1
1 683 . 2 1 1 A 60 60 ASP HA H 175 4.361 4.625 -0.264 1
1 686 . 2 1 1 A 60 60 ASP CA C 175 52.167 53.076 -0.909 1
1 687 . 2 1 1 A 60 60 ASP CB C 175 39.732 40.262 -0.530 1
1 688 . 2 1 1 A 60 60 ASP N N 175 113.493 117.578 -4.085 1
1 689 . 2 1 1 A 61 61 HIS H H 176 7.521 7.980 -0.459 1
1 690 . 2 1 1 A 61 61 HIS HA H 176 4.236 4.494 -0.258 1
1 694 . 2 1 1 A 61 61 HIS CA C 176 56.228 56.856 -0.628 1
1 695 . 2 1 1 A 61 61 HIS CB C 176 26.534 26.586 -0.052 1
1 697 . 2 1 1 A 61 61 HIS N N 176 112.637 113.844 -1.207 1
1 698 . 2 1 1 A 62 62 ASP H H 177 8.547 8.321 0.226 1
1 699 . 2 1 1 A 62 62 ASP HA H 177 4.769 4.481 0.288 1
1 702 . 2 1 1 A 62 62 ASP CA C 177 53.436 53.446 -0.010 1
1 703 . 2 1 1 A 62 62 ASP CB C 177 40.747 40.432 0.315 1
1 704 . 2 1 1 A 62 62 ASP N N 177 118.739 119.430 -0.691 1
1 705 . 2 1 1 A 63 63 GLY H H 178 10.793 8.870 1.923 1
1 706 . 2 1 1 A 63 63 GLY HA2 H 178 4.398 4.049 0.349 1
1 707 . 2 1 1 A 63 63 GLY HA3 H 178 3.946 4.203 -0.257 1
1 708 . 2 1 1 A 63 63 GLY CA C 178 46.330 45.585 0.745 1
1 709 . 2 1 1 A 63 63 GLY N N 178 112.958 110.997 1.961 1
1 710 . 2 1 1 A 64 64 MET H H 179 8.337 7.903 0.434 1
1 711 . 2 1 1 A 64 64 MET HA H 179 5.360 5.061 0.299 1
1 719 . 2 1 1 A 64 64 MET CA C 179 52.929 54.183 -1.254 1
1 720 . 2 1 1 A 64 64 MET CB C 179 36.432 37.253 -0.821 1
1 722 . 2 1 1 A 64 64 MET N N 179 118.525 119.568 -1.043 1
1 723 . 2 1 1 A 65 65 LEU H H 180 9.471 9.898 -0.427 1
1 724 . 2 1 1 A 65 65 LEU HA H 180 5.838 5.040 0.798 1
1 734 . 2 1 1 A 65 65 LEU CA C 180 53.436 53.690 -0.254 1
1 735 . 2 1 1 A 65 65 LEU CB C 180 43.285 43.055 0.230 1
1 739 . 2 1 1 A 65 65 LEU N N 180 120.987 122.700 -1.713 1
1 740 . 2 1 1 A 66 66 ASP H H 181 9.203 8.865 0.338 1
1 741 . 2 1 1 A 66 66 ASP HA H 181 5.378 4.818 0.560 1
1 744 . 2 1 1 A 66 66 ASP CA C 181 51.914 53.264 -1.350 1
1 745 . 2 1 1 A 66 66 ASP CB C 181 40.493 41.642 -1.149 1
1 746 . 2 1 1 A 66 66 ASP N N 181 124.306 125.394 -1.088 1
1 747 . 2 1 1 A 67 67 ARG H H 182 8.130 8.232 -0.102 1
1 748 . 2 1 1 A 67 67 ARG HA H 182 2.758 3.386 -0.628 1
1 755 . 2 1 1 A 67 67 ARG CA C 182 60.543 58.993 1.550 1
1 756 . 2 1 1 A 67 67 ARG CB C 182 30.595 29.391 1.204 1
1 759 . 2 1 1 A 67 67 ARG N N 182 117.454 125.706 -8.252 1
1 760 . 2 1 1 A 68 68 ASP H H 183 7.871 8.207 -0.336 1
1 761 . 2 1 1 A 68 68 ASP HA H 183 4.748 4.711 0.037 1
1 764 . 2 1 1 A 68 68 ASP CA C 183 57.497 57.084 0.413 1
1 765 . 2 1 1 A 68 68 ASP CB C 183 40.747 40.599 0.148 1
1 766 . 2 1 1 A 68 68 ASP N N 183 119.703 119.039 0.664 1
1 767 . 2 1 1 A 69 69 GLU H H 184 8.775 8.302 0.473 1
1 768 . 2 1 1 A 69 69 GLU HA H 184 3.975 4.145 -0.170 1
1 773 . 2 1 1 A 69 69 GLU CA C 184 59.781 59.506 0.275 1
1 774 . 2 1 1 A 69 69 GLU CB C 184 31.762 29.532 2.230 1
1 776 . 2 1 1 A 69 69 GLU N N 184 120.987 120.099 0.888 1
1 777 . 2 1 1 A 70 70 PHE H H 185 9.331 9.115 0.216 1
1 778 . 2 1 1 A 70 70 PHE HA H 185 4.198 4.171 0.027 1
1 784 . 2 1 1 A 70 70 PHE CA C 185 61.812 61.625 0.187 1
1 785 . 2 1 1 A 70 70 PHE CB C 185 39.957 38.909 1.048 1
1 788 . 2 1 1 A 70 70 PHE N N 185 118.632 121.790 -3.158 1
1 789 . 2 1 1 A 71 71 ALA H H 186 7.622 8.181 -0.559 1
1 790 . 2 1 1 A 71 71 ALA HA H 186 3.991 4.139 -0.148 1
1 794 . 2 1 1 A 71 71 ALA CA C 186 55.213 55.273 -0.060 1
1 795 . 2 1 1 A 71 71 ALA CB C 186 18.921 18.218 0.703 1
1 796 . 2 1 1 A 71 71 ALA N N 186 120.131 121.346 -1.215 1
1 797 . 2 1 1 A 72 72 VAL H H 187 7.670 8.085 -0.415 1
1 798 . 2 1 1 A 72 72 VAL HA H 187 3.438 3.534 -0.096 1
1 806 . 2 1 1 A 72 72 VAL CA C 187 67.617 66.671 0.946 1
1 807 . 2 1 1 A 72 72 VAL CB C 187 31.357 31.697 -0.340 1
1 810 . 2 1 1 A 72 72 VAL N N 187 117.776 119.490 -1.714 1
1 811 . 2 1 1 A 73 73 ALA H H 188 8.040 8.219 -0.179 1
1 812 . 2 1 1 A 73 73 ALA HA H 188 3.892 3.966 -0.074 1
1 816 . 2 1 1 A 73 73 ALA CA C 188 55.974 55.581 0.393 1
1 817 . 2 1 1 A 73 73 ALA CB C 188 16.637 18.547 -1.910 1
1 818 . 2 1 1 A 73 73 ALA N N 188 122.058 121.816 0.242 1
1 819 . 2 1 1 A 74 74 MET H H 189 7.908 8.083 -0.175 1
1 820 . 2 1 1 A 74 74 MET HA H 189 3.900 3.782 0.118 1
1 828 . 2 1 1 A 74 74 MET CA C 189 55.974 58.117 -2.143 1
1 829 . 2 1 1 A 74 74 MET CB C 189 29.072 31.026 -1.954 1
1 832 . 2 1 1 A 74 74 MET N N 189 114.029 116.939 -2.910 1
1 833 . 2 1 1 A 75 75 PHE H H 190 8.298 7.616 0.682 1
1 834 . 2 1 1 A 75 75 PHE HA H 190 4.245 4.390 -0.145 1
1 840 . 2 1 1 A 75 75 PHE CA C 190 61.812 61.315 0.497 1
1 841 . 2 1 1 A 75 75 PHE CB C 190 39.732 39.332 0.400 1
1 844 . 2 1 1 A 75 75 PHE N N 190 121.174 122.025 -0.851 1
1 845 . 2 1 1 A 76 76 LEU H H 191 8.761 8.134 0.627 1
1 846 . 2 1 1 A 76 76 LEU HA H 191 3.987 3.977 0.010 1
1 856 . 2 1 1 A 76 76 LEU CA C 191 58.005 57.501 0.504 1
1 857 . 2 1 1 A 76 76 LEU CB C 191 43.792 41.382 2.410 1
1 859 . 2 1 1 A 76 76 LEU N N 191 119.596 119.708 -0.112 1
1 860 . 2 1 1 A 77 77 VAL H H 192 8.392 7.747 0.645 1
1 861 . 2 1 1 A 77 77 VAL HA H 192 3.205 3.504 -0.299 1
1 869 . 2 1 1 A 77 77 VAL CA C 192 67.395 66.165 1.230 1
1 870 . 2 1 1 A 77 77 VAL CB C 192 30.595 31.634 -1.039 1
1 873 . 2 1 1 A 77 77 VAL N N 192 120.773 119.294 1.479 1
1 874 . 2 1 1 A 78 78 TYR H H 193 8.617 7.583 1.034 1
1 875 . 2 1 1 A 78 78 TYR HA H 193 3.916 4.257 -0.341 1
1 880 . 2 1 1 A 78 78 TYR CA C 193 64.350 61.042 3.308 1
1 881 . 2 1 1 A 78 78 TYR CB C 193 36.940 37.169 -0.229 1
1 884 . 2 1 1 A 78 78 TYR N N 193 118.418 118.320 0.098 1
1 885 . 2 1 1 A 79 79 CYS H H 194 7.979 7.849 0.130 1
1 886 . 2 1 1 A 79 79 CYS HA H 194 3.980 3.931 0.049 1
1 889 . 2 1 1 A 79 79 CYS CA C 194 63.842 62.189 1.653 1
1 890 . 2 1 1 A 79 79 CYS CB C 194 25.773 26.695 -0.922 1
1 891 . 2 1 1 A 79 79 CYS N N 194 117.133 118.693 -1.560 1
1 892 . 2 1 1 A 80 80 ALA H H 195 7.979 7.654 0.325 1
1 893 . 2 1 1 A 80 80 ALA HA H 195 4.372 4.090 0.282 1
1 897 . 2 1 1 A 80 80 ALA CA C 195 54.959 54.737 0.222 1
1 898 . 2 1 1 A 80 80 ALA CB C 195 17.906 18.424 -0.518 1
1 899 . 2 1 1 A 80 80 ALA N N 195 123.128 123.030 0.098 1
1 900 . 2 1 1 A 81 81 LEU H H 196 8.620 8.042 0.578 1
1 901 . 2 1 1 A 81 81 LEU HA H 196 3.957 4.011 -0.054 1
1 911 . 2 1 1 A 81 81 LEU CA C 196 57.497 57.633 -0.136 1
1 912 . 2 1 1 A 81 81 LEU CB C 196 40.747 41.465 -0.718 1
1 916 . 2 1 1 A 81 81 LEU N N 196 123.021 119.530 3.491 1
1 917 . 2 1 1 A 82 82 GLU H H 197 7.483 8.218 -0.735 1
1 918 . 2 1 1 A 82 82 GLU HA H 197 4.497 4.239 0.258 1
1 923 . 2 1 1 A 82 82 GLU CA C 197 56.418 55.504 0.914 1
1 924 . 2 1 1 A 82 82 GLU CB C 197 28.819 28.652 0.167 1
1 926 . 2 1 1 A 82 82 GLU N N 197 118.311 115.617 2.694 1
1 927 . 2 1 1 A 83 83 LYS H H 198 7.832 7.755 0.077 1
1 928 . 2 1 1 A 83 83 LYS HA H 198 3.805 3.805 0.000 1
1 937 . 2 1 1 A 83 83 LYS CA C 198 57.497 57.325 0.172 1
1 938 . 2 1 1 A 83 83 LYS CB C 198 28.057 29.374 -1.317 1
1 942 . 2 1 1 A 83 83 LYS N N 198 111.674 115.098 -3.424 1
1 943 . 2 1 1 A 84 84 GLU H H 199 8.098 7.995 0.103 1
1 944 . 2 1 1 A 84 84 GLU HA H 199 4.635 4.645 -0.010 1
1 949 . 2 1 1 A 84 84 GLU CA C 199 53.944 53.807 0.137 1
1 950 . 2 1 1 A 84 84 GLU CB C 199 29.580 30.441 -0.861 1
1 952 . 2 1 1 A 84 84 GLU N N 199 121.737 119.234 2.503 1
1 953 . 2 1 1 A 85 85 PRO HA H 200 4.344 4.418 -0.074 1
1 960 . 2 1 1 A 85 85 PRO CA C 200 62.065 63.222 -1.157 1
1 961 . 2 1 1 A 85 85 PRO CB C 200 32.118 31.977 0.141 1
1 964 . 2 1 1 A 86 86 VAL H H 201 8.534 8.329 0.205 1
1 965 . 2 1 1 A 86 86 VAL HA H 201 4.275 4.521 -0.246 1
1 973 . 2 1 1 A 86 86 VAL CA C 201 60.035 59.598 0.437 1
1 974 . 2 1 1 A 86 86 VAL CB C 201 32.118 32.992 -0.874 1
1 977 . 2 1 1 A 86 86 VAL N N 201 125.055 117.726 7.329 1
1 978 . 2 1 1 A 87 87 PRO HA H 202 4.571 4.752 -0.181 1
1 985 . 2 1 1 A 87 87 PRO CA C 202 62.827 62.629 0.198 1
1 986 . 2 1 1 A 87 87 PRO CB C 202 32.879 33.349 -0.470 1
1 989 . 2 1 1 A 88 88 MET H H 203 8.536 8.914 -0.378 1
1 990 . 2 1 1 A 88 88 MET HA H 203 4.437 4.595 -0.158 1
1 998 . 2 1 1 A 88 88 MET CA C 203 55.974 56.196 -0.222 1
1 999 . 2 1 1 A 88 88 MET CB C 203 32.372 34.087 -1.715 1
1 1001 . 2 1 1 A 88 88 MET N N 203 114.671 119.218 -4.547 1
1 1002 . 2 1 1 A 89 89 SER H H 204 7.588 7.745 -0.157 1
1 1003 . 2 1 1 A 89 89 SER HA H 204 4.482 4.856 -0.374 1
1 1006 . 2 1 1 A 89 89 SER CA C 204 56.482 57.533 -1.051 1
1 1007 . 2 1 1 A 89 89 SER CB C 204 65.111 65.655 -0.544 1
1 1008 . 2 1 1 A 89 89 SER N N 204 110.603 115.165 -4.562 1
1 1009 . 2 1 1 A 90 90 LEU H H 205 9.188 8.324 0.864 1
1 1010 . 2 1 1 A 90 90 LEU HA H 205 4.314 4.653 -0.339 1
1 1020 . 2 1 1 A 90 90 LEU CA C 205 53.436 52.435 1.001 1
1 1021 . 2 1 1 A 90 90 LEU CB C 205 41.785 43.130 -1.345 1
1 1024 . 2 1 1 A 90 90 LEU N N 205 124.627 125.417 -0.790 1
1 1025 . 2 1 1 A 91 91 PRO HA H 206 4.794 4.718 0.076 1
1 1032 . 2 1 1 A 91 91 PRO CA C 206 61.304 62.334 -1.030 1
1 1033 . 2 1 1 A 91 91 PRO CB C 206 31.116 31.749 -0.633 1
1 1036 . 2 1 1 A 92 92 PRO HA H 207 4.221 4.345 -0.124 1
1 1043 . 2 1 1 A 92 92 PRO CA C 207 66.057 64.951 1.106 1
1 1044 . 2 1 1 A 92 92 PRO CB C 207 31.889 31.770 0.119 1
1 1047 . 2 1 1 A 93 93 ALA H H 208 8.509 8.204 0.305 1
1 1048 . 2 1 1 A 93 93 ALA HA H 208 4.181 4.212 -0.031 1
1 1052 . 2 1 1 A 93 93 ALA CA C 208 54.198 54.408 -0.210 1
1 1053 . 2 1 1 A 93 93 ALA CB C 208 18.413 18.355 0.058 1
1 1054 . 2 1 1 A 93 93 ALA N N 208 115.742 120.003 -4.261 1
1 1055 . 2 1 1 A 94 94 LEU H H 209 8.225 8.018 0.207 1
1 1056 . 2 1 1 A 94 94 LEU HA H 209 4.341 4.618 -0.277 1
1 1066 . 2 1 1 A 94 94 LEU CA C 209 54.452 54.586 -0.134 1
1 1067 . 2 1 1 A 94 94 LEU CB C 209 43.285 42.273 1.012 1
1 1071 . 2 1 1 A 94 94 LEU N N 209 118.204 113.065 5.139 1
1 1072 . 2 1 1 A 95 95 VAL H H 210 7.400 7.610 -0.210 1
1 1073 . 2 1 1 A 95 95 VAL HA H 210 3.762 4.563 -0.801 1
1 1081 . 2 1 1 A 95 95 VAL CA C 210 61.812 60.053 1.759 1
1 1082 . 2 1 1 A 95 95 VAL CB C 210 32.118 32.796 -0.678 1
1 1085 . 2 1 1 A 95 95 VAL N N 210 123.021 121.454 1.567 1
1 1089 . 2 1 1 A 97 97 PRO HA H 212 3.641 4.148 -0.507 1
1 1096 . 2 1 1 A 97 97 PRO CA C 212 66.126 65.211 0.915 1
1 1097 . 2 1 1 A 97 97 PRO CB C 212 31.864 31.752 0.112 1
1 1100 . 2 1 1 A 98 98 SER H H 213 8.243 7.828 0.415 1
1 1101 . 2 1 1 A 98 98 SER HA H 213 4.124 4.175 -0.051 1
1 1104 . 2 1 1 A 98 98 SER CA C 213 59.781 60.497 -0.716 1
1 1105 . 2 1 1 A 98 98 SER CB C 213 62.573 62.406 0.167 1
1 1106 . 2 1 1 A 98 98 SER N N 213 110.924 110.874 0.050 1
1 1107 . 2 1 1 A 99 99 LYS H H 214 8.125 7.656 0.469 1
1 1108 . 2 1 1 A 99 99 LYS HA H 214 4.563 4.552 0.011 1
1 1117 . 2 1 1 A 99 99 LYS CA C 214 54.198 55.208 -1.010 1
1 1118 . 2 1 1 A 99 99 LYS CB C 214 32.879 32.127 0.752 1
1 1122 . 2 1 1 A 99 99 LYS N N 214 120.024 118.759 1.265 1
1 1180 . 2 2 2 B 7 7 SER HA H 302 4.483 3.949 0.534 1
1 1183 . 2 2 2 B 7 7 SER CA C 302 58.429 58.928 -0.499 1
1 1184 . 2 2 2 B 7 7 SER CB C 302 63.758 61.430 2.328 1
1 1185 . 2 2 2 B 8 8 VAL H H 303 8.238 7.910 0.328 1
1 1186 . 2 2 2 B 8 8 VAL HA H 303 4.252 4.573 -0.321 1
1 1194 . 2 2 2 B 8 8 VAL CA C 303 62.311 60.790 1.521 1
1 1195 . 2 2 2 B 8 8 VAL CB C 303 32.824 31.622 1.202 1
1 1198 . 2 2 2 B 8 8 VAL N N 303 121.875 116.252 5.623 1
1 1199 . 2 2 2 B 9 9 THR H H 304 8.221 7.543 0.678 1
1 1200 . 2 2 2 B 9 9 THR HA H 304 4.369 4.344 0.025 1
1 1205 . 2 2 2 B 9 9 THR CA C 304 61.795 61.586 0.209 1
1 1206 . 2 2 2 B 9 9 THR CB C 304 69.666 67.380 2.286 1
1 1208 . 2 2 2 B 9 9 THR N N 304 117.435 117.561 -0.126 1
1 1209 . 2 2 2 B 10 10 GLU H H 305 8.342 7.786 0.556 1
1 1210 . 2 2 2 B 10 10 GLU HA H 305 4.292 4.559 -0.267 1
1 1215 . 2 2 2 B 10 10 GLU CA C 305 56.488 56.474 0.014 1
1 1216 . 2 2 2 B 10 10 GLU CB C 305 30.344 31.802 -1.458 1
1 1218 . 2 2 2 B 10 10 GLU N N 305 123.467 123.483 -0.016 1
1 1219 . 2 2 2 B 11 11 ALA H H 306 8.299 9.105 -0.806 1
1 1220 . 2 2 2 B 11 11 ALA HA H 306 4.330 4.518 -0.188 1
1 1224 . 2 2 2 B 11 11 ALA CA C 306 52.164 50.760 1.404 1
1 1225 . 2 2 2 B 11 11 ALA CB C 306 19.377 18.885 0.492 1
1 1226 . 2 2 2 B 11 11 ALA N N 306 124.975 129.815 -4.840 1
1 1227 . 2 2 2 B 12 12 SER H H 307 8.304 7.958 0.346 1
1 1228 . 2 2 2 B 12 12 SER HA H 307 4.628 4.635 -0.007 1
1 1231 . 2 2 2 B 12 12 SER CA C 307 56.214 63.538 -7.324 1
1 1232 . 2 2 2 B 12 12 SER CB C 307 63.419 61.721 1.698 1
1 1233 . 2 2 2 B 12 12 SER N N 307 116.597 115.700 0.897 1
1 1234 . 2 2 2 B 13 13 PRO HA H 308 4.395 4.466 -0.071 1
1 1241 . 2 2 2 B 13 13 PRO CA C 308 63.060 62.625 0.435 1
1 1242 . 2 2 2 B 13 13 PRO CB C 308 31.844 29.239 2.605 1
1 1245 . 2 2 2 B 14 14 TRP H H 309 8.038 8.880 -0.842 1
1 1246 . 2 2 2 B 14 14 TRP HA H 309 4.930 4.966 -0.036 1
1 1255 . 2 2 2 B 14 14 TRP CA C 309 54.944 56.827 -1.883 1
1 1256 . 2 2 2 B 14 14 TRP CB C 309 30.324 30.474 -0.150 1
1 1262 . 2 2 2 B 14 14 TRP N N 309 121.372 123.058 -1.686 1
1 1264 . 2 2 2 B 15 15 ARG H H 310 8.827 9.189 -0.362 1
1 1265 . 2 2 2 B 15 15 ARG HA H 310 4.336 4.462 -0.126 1
1 1272 . 2 2 2 B 15 15 ARG CA C 310 56.617 55.732 0.885 1
1 1273 . 2 2 2 B 15 15 ARG CB C 310 31.336 30.022 1.314 1
1 1276 . 2 2 2 B 15 15 ARG N N 310 122.043 121.340 0.703 1
1 1277 . 2 2 2 B 16 16 ALA H H 311 8.551 8.117 0.434 1
1 1278 . 2 2 2 B 16 16 ALA HA H 311 4.140 3.992 0.148 1
1 1282 . 2 2 2 B 16 16 ALA CA C 311 54.460 55.115 -0.655 1
1 1283 . 2 2 2 B 16 16 ALA CB C 311 18.884 17.109 1.775 1
1 1284 . 2 2 2 B 16 16 ALA N N 311 120.702 119.618 1.084 1
1 1285 . 2 2 2 B 17 17 THR H H 312 7.286 8.779 -1.493 1
1 1286 . 2 2 2 B 17 17 THR HA H 312 4.219 4.219 0.000 1
1 1291 . 2 2 2 B 17 17 THR CA C 312 60.544 63.858 -3.314 1
1 1292 . 2 2 2 B 17 17 THR CB C 312 68.647 69.144 -0.497 1
1 1294 . 2 2 2 B 17 17 THR N N 312 124.807 109.769 15.038 1
1 1295 . 2 2 2 B 18 18 ASN H H 313 7.918 7.837 0.081 1
1 1296 . 2 2 2 B 18 18 ASN HA H 313 4.269 4.934 -0.665 1
1 1301 . 2 2 2 B 18 18 ASN CA C 313 50.640 50.831 -0.191 1
1 1302 . 2 2 2 B 18 18 ASN CB C 313 39.462 39.502 -0.040 1
1 1303 . 2 2 2 B 18 18 ASN N N 313 123.467 122.456 1.011 1
1 1305 . 2 2 2 B 19 19 PRO HA H 314 4.135 4.352 -0.217 1
1 1312 . 2 2 2 B 19 19 PRO CA C 314 63.314 63.734 -0.420 1
1 1313 . 2 2 2 B 19 19 PRO CB C 314 31.336 32.256 -0.920 1
1 1316 . 2 2 2 B 20 20 PHE H H 315 8.568 7.926 0.642 1
1 1317 . 2 2 2 B 20 20 PHE HA H 315 4.144 4.650 -0.506 1
1 1323 . 2 2 2 B 20 20 PHE CA C 315 59.513 57.803 1.710 1
1 1324 . 2 2 2 B 20 20 PHE CB C 315 37.658 40.558 -2.900 1
1 1328 . 2 2 2 B 20 20 PHE N N 315 116.848 118.776 -1.928 1
1 1329 . 2 2 2 B 21 21 LEU H H 316 7.332 8.285 -0.953 1
1 1330 . 2 2 2 B 21 21 LEU HA H 316 4.393 4.544 -0.151 1
1 1340 . 2 2 2 B 21 21 LEU CA C 316 55.961 57.927 -1.966 1
1 1341 . 2 2 2 B 21 21 LEU CB C 316 43.017 41.509 1.508 1
1 1345 . 2 2 2 B 21 21 LEU N N 316 120.283 118.033 2.250 1
1 1346 . 2 2 2 B 22 22 ASN H H 317 8.010 8.162 -0.152 1
1 1347 . 2 2 2 B 22 22 ASN HA H 317 4.613 4.999 -0.386 1
1 1352 . 2 2 2 B 22 22 ASN CA C 317 53.224 52.555 0.669 1
1 1353 . 2 2 2 B 22 22 ASN CB C 317 38.714 36.492 2.222 1
1 1354 . 2 2 2 B 22 22 ASN N N 317 117.602 117.144 0.458 1
1 1356 . 2 2 2 B 23 23 GLU H H 318 8.344 8.257 0.087 1
1 1357 . 2 2 2 B 23 23 GLU HA H 318 4.373 4.374 -0.001 1
1 1362 . 2 2 2 B 23 23 GLU CA C 318 56.974 56.499 0.475 1
1 1363 . 2 2 2 B 23 23 GLU CB C 318 30.323 29.621 0.702 1
1 1365 . 2 2 2 B 23 23 GLU N N 318 121.523 118.653 2.870 1
1 1366 . 2 2 2 B 24 24 THR H H 319 8.295 7.873 0.422 1
1 1367 . 2 2 2 B 24 24 THR HA H 319 4.398 4.665 -0.267 1
1 1372 . 2 2 2 B 24 24 THR CA C 319 61.940 60.849 1.091 1
1 1373 . 2 2 2 B 24 24 THR CB C 319 70.138 69.018 1.120 1
1 1375 . 2 2 2 B 24 24 THR N N 319 115.089 113.284 1.805 1
1 1376 . 2 2 2 B 25 25 LEU H H 320 8.639 7.618 1.021 1
1 1377 . 2 2 2 B 25 25 LEU HA H 320 4.237 4.932 -0.695 1
1 1387 . 2 2 2 B 25 25 LEU CA C 320 55.196 53.726 1.470 1
1 1388 . 2 2 2 B 25 25 LEU CB C 320 40.733 45.318 -4.585 1
1 1392 . 2 2 2 B 25 25 LEU N N 320 122.143 119.351 2.792 1
1 1393 . 2 2 2 B 26 26 GLN H H 321 8.121 8.480 -0.359 1
1 1394 . 2 2 2 B 26 26 GLN HA H 321 4.217 4.683 -0.466 1
1 1401 . 2 2 2 B 26 26 GLN CA C 321 56.987 55.377 1.610 1
1 1402 . 2 2 2 B 26 26 GLN CB C 321 29.309 28.371 0.938 1
1 1404 . 2 2 2 B 26 26 GLN N N 321 119.864 118.882 0.982 1
1 1406 . 2 2 2 B 27 27 ASP H H 322 8.489 7.900 0.589 1
1 1407 . 2 2 2 B 27 27 ASP HA H 322 4.656 4.993 -0.337 1
1 1410 . 2 2 2 B 27 27 ASP CA C 322 54.170 53.949 0.221 1
1 1411 . 2 2 2 B 27 27 ASP CB C 322 40.758 44.135 -3.377 1
1 1412 . 2 2 2 B 27 27 ASP N N 322 119.864 124.650 -4.786 1
1 1413 . 2 2 2 B 28 28 VAL H H 323 7.588 8.867 -1.279 1
1 1414 . 2 2 2 B 28 28 VAL HA H 323 4.094 4.328 -0.234 1
1 1422 . 2 2 2 B 28 28 VAL CA C 323 61.797 63.391 -1.594 1
1 1423 . 2 2 2 B 28 28 VAL CB C 323 32.915 33.941 -1.026 1
1 1426 . 2 2 2 B 28 28 VAL N N 323 119.446 124.911 -5.465 1
1 1427 . 2 2 2 B 29 29 GLN H H 324 8.451 7.882 0.569 1
1 1428 . 2 2 2 B 29 29 GLN HA H 324 4.633 3.995 0.638 1
1 1435 . 2 2 2 B 29 29 GLN CA C 324 53.138 56.337 -3.199 1
1 1436 . 2 2 2 B 29 29 GLN CB C 324 28.795 27.336 1.459 1
1 1438 . 2 2 2 B 29 29 GLN N N 324 125.897 119.747 6.150 1
1 1440 . 2 2 2 B 30 30 PRO HA H 325 4.486 4.782 -0.296 1
1 1447 . 2 2 2 B 30 30 PRO CA C 325 62.553 62.427 0.126 1
1 1448 . 2 2 2 B 30 30 PRO CB C 325 32.316 31.625 0.691 1
1 1451 . 2 2 2 B 31 31 SER H H 326 7.858 8.657 -0.799 1
1 1452 . 2 2 2 B 31 31 SER HA H 326 4.734 4.640 0.094 1
1 1455 . 2 2 2 B 31 31 SER CA C 326 55.447 57.621 -2.174 1
1 1456 . 2 2 2 B 31 31 SER CB C 326 63.822 63.128 0.694 1
1 1457 . 2 2 2 B 31 31 SER N N 326 115.759 117.947 -2.188 1
1 1458 . 2 2 2 B 32 32 PRO HA H 327 4.554 4.463 0.091 1
1 1465 . 2 2 2 B 32 32 PRO CA C 327 64.076 63.169 0.907 1
1 1466 . 2 2 2 B 32 32 PRO CB C 327 32.098 30.318 1.780 1
1 1469 . 2 2 2 B 33 33 ILE H H 328 8.233 8.080 0.153 1
1 1470 . 2 2 2 B 33 33 ILE HA H 328 3.829 4.266 -0.437 1
1 1480 . 2 2 2 B 33 33 ILE CA C 328 58.518 61.115 -2.597 1
1 1481 . 2 2 2 B 33 33 ILE CB C 328 36.419 37.457 -1.038 1
1 1485 . 2 2 2 B 33 33 ILE N N 328 121.037 120.552 0.485 1
1 1486 . 2 2 2 B 34 34 ASN H H 329 8.672 7.516 1.156 1
1 1487 . 2 2 2 B 34 34 ASN HA H 329 5.225 4.969 0.256 1
1 1492 . 2 2 2 B 34 34 ASN CA C 329 49.359 51.513 -2.154 1
1 1493 . 2 2 2 B 34 34 ASN CB C 329 38.952 38.214 0.738 1
1 1494 . 2 2 2 B 34 34 ASN N N 329 121.624 121.307 0.317 1
1 1496 . 2 2 2 B 35 35 PRO HA H 330 4.509 4.236 0.273 1
1 1503 . 2 2 2 B 35 35 PRO CA C 330 62.553 64.544 -1.991 1
1 1504 . 2 2 2 B 35 35 PRO CB C 330 31.844 31.626 0.218 1
1 1507 . 2 2 2 B 36 36 PHE H H 331 7.738 8.184 -0.446 1
1 1508 . 2 2 2 B 36 36 PHE HA H 331 4.836 4.906 -0.070 1
1 1514 . 2 2 2 B 36 36 PHE CA C 331 56.981 57.937 -0.956 1
1 1515 . 2 2 2 B 36 36 PHE CB C 331 39.210 38.660 0.550 1
1 1519 . 2 2 2 B 36 36 PHE N N 331 116.513 115.956 0.557 1
1 1520 . 2 2 2 B 37 37 SER H H 332 7.221 8.019 -0.798 1
1 1521 . 2 2 2 B 37 37 SER HA H 332 4.273 3.840 0.433 1
1 1524 . 2 2 2 B 37 37 SER CA C 332 61.794 61.795 -0.001 1
1 1525 . 2 2 2 B 37 37 SER CB C 332 62.810 62.898 -0.088 1
1 1526 . 2 2 2 B 37 37 SER N N 332 115.256 116.905 -1.649 1
1 1527 . 2 2 2 B 38 38 ALA H H 333 8.551 7.694 0.857 1
1 1528 . 2 2 2 B 38 38 ALA HA H 333 4.308 4.154 0.154 1
1 1532 . 2 2 2 B 38 38 ALA CA C 333 54.464 54.300 0.164 1
1 1533 . 2 2 2 B 38 38 ALA CB C 333 18.148 18.156 -0.008 1
1 1534 . 2 2 2 B 38 38 ALA N N 333 123.216 123.820 -0.604 1
1 1535 . 2 2 2 B 39 39 PHE H H 334 7.842 7.526 0.316 1
1 1536 . 2 2 2 B 39 39 PHE HA H 334 4.165 4.291 -0.126 1
1 1542 . 2 2 2 B 39 39 PHE CA C 334 60.541 60.944 -0.403 1
1 1543 . 2 2 2 B 39 39 PHE CB C 334 38.703 38.815 -0.112 1
1 1547 . 2 2 2 B 39 39 PHE N N 334 117.602 115.934 1.668 1
1 1548 . 2 2 2 B 40 40 PHE H H 335 7.668 8.053 -0.385 1
1 1549 . 2 2 2 B 40 40 PHE HA H 335 4.626 4.433 0.193 1
1 1555 . 2 2 2 B 40 40 PHE CA C 335 58.997 61.286 -2.289 1
1 1556 . 2 2 2 B 40 40 PHE CB C 335 39.427 38.769 0.658 1
1 1560 . 2 2 2 B 40 40 PHE N N 335 117.267 118.102 -0.835 1
1 1561 . 2 2 2 B 41 41 GLU H H 336 8.105 8.315 -0.210 1
1 1562 . 2 2 2 B 41 41 GLU HA H 336 4.263 4.113 0.150 1
1 1567 . 2 2 2 B 41 41 GLU CA C 336 57.653 59.693 -2.040 1
1 1568 . 2 2 2 B 41 41 GLU CB C 336 30.320 29.447 0.873 1
1 1570 . 2 2 2 B 41 41 GLU N N 336 120.426 120.956 -0.530 1
1 1571 . 2 2 2 B 42 42 GLU H H 337 8.140 7.661 0.479 1
1 1572 . 2 2 2 B 42 42 GLU HA H 337 4.259 4.333 -0.074 1
1 1577 . 2 2 2 B 42 42 GLU CA C 337 56.969 58.815 -1.846 1
1 1578 . 2 2 2 B 42 42 GLU CB C 337 30.018 30.878 -0.860 1
1 1580 . 2 2 2 B 42 42 GLU N N 337 120.291 119.504 0.787 1
1 1581 . 2 2 2 B 43 43 GLN H H 338 8.058 7.966 0.092 1
1 1582 . 2 2 2 B 43 43 GLN HA H 338 4.282 4.012 0.270 1
1 1587 . 2 2 2 B 43 43 GLN CA C 338 56.127 58.405 -2.278 1
1 1588 . 2 2 2 B 43 43 GLN CB C 338 29.560 26.468 3.092 1
1 1590 . 2 2 2 B 43 43 GLN N N 338 119.529 117.990 1.539 1
1 1591 . 2 2 2 B 44 44 GLU H H 339 8.254 8.741 -0.487 1
1 1592 . 2 2 2 B 44 44 GLU HA H 339 4.275 4.102 0.173 1
1 1597 . 2 2 2 B 44 44 GLU CA C 339 56.683 59.169 -2.486 1
1 1598 . 2 2 2 B 44 44 GLU N N 339 121.540 119.121 2.419 1
1 51 . 3 1 1 A 7 7 TRP H H 122 8.903 8.587 0.316 1
1 52 . 3 1 1 A 7 7 TRP HA H 122 5.048 5.448 -0.400 1
1 61 . 3 1 1 A 7 7 TRP CA C 122 54.452 57.558 -3.106 1
1 62 . 3 1 1 A 7 7 TRP CB C 122 29.834 30.497 -0.663 1
1 68 . 3 1 1 A 7 7 TRP N N 122 123.342 124.883 -1.541 1
1 70 . 3 1 1 A 8 8 ALA H H 123 8.015 8.754 -0.739 1
1 71 . 3 1 1 A 8 8 ALA HA H 123 3.864 3.618 0.246 1
1 75 . 3 1 1 A 8 8 ALA CA C 123 53.436 55.028 -1.592 1
1 76 . 3 1 1 A 8 8 ALA CB C 123 19.174 17.794 1.380 1
1 77 . 3 1 1 A 8 8 ALA N N 123 128.053 129.723 -1.670 1
1 78 . 3 1 1 A 9 9 VAL H H 124 5.029 6.605 -1.576 1
1 79 . 3 1 1 A 9 9 VAL HA H 124 3.497 3.655 -0.158 1
1 87 . 3 1 1 A 9 9 VAL CA C 124 61.304 61.728 -0.424 1
1 88 . 3 1 1 A 9 9 VAL CB C 124 29.834 29.466 0.368 1
1 91 . 3 1 1 A 9 9 VAL N N 124 113.760 116.968 -3.208 1
1 92 . 3 1 1 A 10 10 LYS H H 125 8.812 8.058 0.754 1
1 93 . 3 1 1 A 10 10 LYS HA H 125 4.383 4.236 0.147 1
1 102 . 3 1 1 A 10 10 LYS CA C 125 54.959 55.260 -0.301 1
1 103 . 3 1 1 A 10 10 LYS CB C 125 30.849 32.036 -1.187 1
1 107 . 3 1 1 A 10 10 LYS N N 125 129.016 126.964 2.052 1
1 108 . 3 1 1 A 11 11 PRO HA H 126 4.229 4.288 -0.059 1
1 115 . 3 1 1 A 11 11 PRO CA C 126 65.872 65.722 0.150 1
1 116 . 3 1 1 A 11 11 PRO CB C 126 32.118 31.949 0.169 1
1 119 . 3 1 1 A 12 12 GLU H H 127 9.749 8.307 1.442 1
1 120 . 3 1 1 A 12 12 GLU HA H 127 4.075 4.095 -0.020 1
1 125 . 3 1 1 A 12 12 GLU CA C 127 59.464 59.519 -0.055 1
1 126 . 3 1 1 A 12 12 GLU CB C 127 28.565 29.154 -0.589 1
1 128 . 3 1 1 A 12 12 GLU N N 127 117.669 117.780 -0.111 1
1 129 . 3 1 1 A 13 13 ASP H H 128 6.907 8.435 -1.528 1
1 130 . 3 1 1 A 13 13 ASP HA H 128 4.115 4.138 -0.023 1
1 133 . 3 1 1 A 13 13 ASP CA C 128 56.482 55.955 0.527 1
1 134 . 3 1 1 A 13 13 ASP CB C 128 40.239 40.725 -0.486 1
1 135 . 3 1 1 A 13 13 ASP N N 128 120.880 118.250 2.630 1
1 136 . 3 1 1 A 14 14 LYS H H 129 8.162 8.487 -0.325 1
1 137 . 3 1 1 A 14 14 LYS HA H 129 3.645 3.972 -0.327 1
1 146 . 3 1 1 A 14 14 LYS CA C 129 58.512 59.483 -0.971 1
1 147 . 3 1 1 A 14 14 LYS CB C 129 32.118 32.415 -0.297 1
1 151 . 3 1 1 A 14 14 LYS N N 129 120.161 121.258 -1.097 1
1 152 . 3 1 1 A 15 15 ALA H H 130 7.836 8.208 -0.372 1
1 153 . 3 1 1 A 15 15 ALA HA H 130 4.254 4.078 0.176 1
1 157 . 3 1 1 A 15 15 ALA CA C 130 55.213 55.026 0.187 1
1 158 . 3 1 1 A 15 15 ALA CB C 130 17.906 18.355 -0.449 1
1 159 . 3 1 1 A 15 15 ALA N N 130 118.204 120.007 -1.803 1
1 160 . 3 1 1 A 16 16 LYS H H 131 7.055 7.729 -0.674 1
1 161 . 3 1 1 A 16 16 LYS HA H 131 4.128 4.136 -0.008 1
1 170 . 3 1 1 A 16 16 LYS CA C 131 59.274 59.367 -0.093 1
1 171 . 3 1 1 A 16 16 LYS CB C 131 31.864 32.038 -0.174 1
1 175 . 3 1 1 A 16 16 LYS N N 131 119.703 119.757 -0.054 1
1 176 . 3 1 1 A 17 17 TYR H H 132 8.606 8.265 0.341 1
1 177 . 3 1 1 A 17 17 TYR HA H 132 4.812 4.453 0.359 1
1 182 . 3 1 1 A 17 17 TYR CA C 132 58.005 61.284 -3.279 1
1 183 . 3 1 1 A 17 17 TYR CB C 132 35.417 37.960 -2.543 1
1 186 . 3 1 1 A 17 17 TYR N N 132 122.165 118.903 3.262 1
1 187 . 3 1 1 A 18 18 ASP H H 133 9.404 8.915 0.489 1
1 188 . 3 1 1 A 18 18 ASP HA H 133 4.456 4.543 -0.087 1
1 191 . 3 1 1 A 18 18 ASP CA C 133 57.497 57.777 -0.280 1
1 192 . 3 1 1 A 18 18 ASP CB C 133 40.493 41.900 -1.407 1
1 193 . 3 1 1 A 18 18 ASP N N 133 121.201 120.985 0.216 1
1 194 . 3 1 1 A 19 19 ALA H H 134 7.360 7.725 -0.365 1
1 195 . 3 1 1 A 19 19 ALA HA H 134 4.383 4.111 0.272 1
1 199 . 3 1 1 A 19 19 ALA CA C 134 54.959 55.168 -0.209 1
1 200 . 3 1 1 A 19 19 ALA CB C 134 17.906 18.613 -0.707 1
1 201 . 3 1 1 A 19 19 ALA N N 134 120.666 121.372 -0.706 1
1 202 . 3 1 1 A 20 20 ILE H H 135 7.778 7.906 -0.128 1
1 203 . 3 1 1 A 20 20 ILE HA H 135 3.795 3.893 -0.098 1
1 213 . 3 1 1 A 20 20 ILE CA C 135 64.857 64.548 0.309 1
1 214 . 3 1 1 A 20 20 ILE CB C 135 38.463 37.623 0.840 1
1 218 . 3 1 1 A 20 20 ILE N N 135 120.238 116.805 3.433 1
1 219 . 3 1 1 A 21 21 PHE H H 136 9.262 8.828 0.434 1
1 220 . 3 1 1 A 21 21 PHE HA H 136 3.195 3.948 -0.753 1
1 226 . 3 1 1 A 21 21 PHE CA C 136 62.065 62.197 -0.132 1
1 227 . 3 1 1 A 21 21 PHE CB C 136 38.970 39.572 -0.602 1
1 231 . 3 1 1 A 21 21 PHE N N 136 123.878 123.792 0.086 1
1 232 . 3 1 1 A 22 22 ASP H H 137 8.410 8.903 -0.493 1
1 233 . 3 1 1 A 22 22 ASP HA H 137 4.287 4.538 -0.251 1
1 236 . 3 1 1 A 22 22 ASP CA C 137 57.497 57.169 0.328 1
1 237 . 3 1 1 A 22 22 ASP CB C 137 40.493 41.627 -1.134 1
1 238 . 3 1 1 A 22 22 ASP N N 137 115.420 120.165 -4.745 1
1 239 . 3 1 1 A 23 23 SER H H 138 7.946 7.808 0.138 1
1 240 . 3 1 1 A 23 23 SER HA H 138 4.475 4.308 0.167 1
1 243 . 3 1 1 A 23 23 SER CA C 138 60.543 60.757 -0.214 1
1 244 . 3 1 1 A 23 23 SER CB C 138 63.334 62.896 0.438 1
1 245 . 3 1 1 A 23 23 SER N N 138 117.133 114.394 2.739 1
1 246 . 3 1 1 A 24 24 LEU H H 139 7.338 7.422 -0.084 1
1 247 . 3 1 1 A 24 24 LEU HA H 139 4.333 4.318 0.015 1
1 257 . 3 1 1 A 24 24 LEU CA C 139 54.452 54.446 0.006 1
1 258 . 3 1 1 A 24 24 LEU CB C 139 42.016 41.919 0.097 1
1 262 . 3 1 1 A 24 24 LEU N N 139 123.003 118.739 4.264 1
1 263 . 3 1 1 A 25 25 SER H H 140 7.698 7.864 -0.166 1
1 264 . 3 1 1 A 25 25 SER HA H 140 4.036 4.219 -0.183 1
1 268 . 3 1 1 A 25 25 SER CA C 140 58.005 58.728 -0.723 1
1 269 . 3 1 1 A 25 25 SER CB C 140 60.796 61.666 -0.870 1
1 270 . 3 1 1 A 25 25 SER N N 140 109.104 113.240 -4.136 1
1 271 . 3 1 1 A 26 26 PRO HA H 141 4.114 4.474 -0.360 1
1 278 . 3 1 1 A 26 26 PRO CA C 141 62.827 62.416 0.411 1
1 279 . 3 1 1 A 26 26 PRO CB C 141 32.650 33.018 -0.368 1
1 282 . 3 1 1 A 27 27 VAL H H 142 8.410 9.002 -0.592 1
1 283 . 3 1 1 A 27 27 VAL HA H 142 4.297 4.529 -0.232 1
1 291 . 3 1 1 A 27 27 VAL CA C 142 61.812 61.294 0.518 1
1 292 . 3 1 1 A 27 27 VAL CB C 142 33.641 32.186 1.455 1
1 295 . 3 1 1 A 27 27 VAL N N 142 120.987 120.644 0.343 1
1 296 . 3 1 1 A 28 28 ASN H H 143 9.694 9.646 0.048 1
1 297 . 3 1 1 A 28 28 ASN HA H 143 4.425 4.571 -0.146 1
1 302 . 3 1 1 A 28 28 ASN CA C 143 54.198 54.623 -0.425 1
1 303 . 3 1 1 A 28 28 ASN CB C 143 37.701 37.066 0.635 1
1 304 . 3 1 1 A 28 28 ASN N N 143 127.946 127.469 0.477 1
1 306 . 3 1 1 A 29 29 GLY H H 144 8.410 8.782 -0.372 1
1 307 . 3 1 1 A 29 29 GLY HA2 H 144 3.582 3.803 -0.221 1
1 308 . 3 1 1 A 29 29 GLY HA3 H 144 3.976 3.968 0.008 1
1 309 . 3 1 1 A 29 29 GLY CA C 144 44.808 45.673 -0.865 1
1 310 . 3 1 1 A 29 29 GLY N N 144 99.790 105.186 -5.396 1
1 311 . 3 1 1 A 30 30 PHE H H 145 7.749 8.314 -0.565 1
1 312 . 3 1 1 A 30 30 PHE HA H 145 5.476 5.406 0.070 1
1 318 . 3 1 1 A 30 30 PHE CA C 145 56.736 56.708 0.028 1
1 319 . 3 1 1 A 30 30 PHE CB C 145 44.554 42.669 1.885 1
1 323 . 3 1 1 A 30 30 PHE N N 145 115.206 118.286 -3.080 1
1 324 . 3 1 1 A 31 31 LEU H H 146 9.492 9.391 0.101 1
1 325 . 3 1 1 A 31 31 LEU HA H 146 4.765 5.134 -0.369 1
1 335 . 3 1 1 A 31 31 LEU CA C 146 52.929 53.362 -0.433 1
1 336 . 3 1 1 A 31 31 LEU CB C 146 45.569 44.942 0.627 1
1 340 . 3 1 1 A 31 31 LEU N N 146 121.522 122.539 -1.017 1
1 341 . 3 1 1 A 32 32 SER H H 147 7.822 8.433 -0.611 1
1 342 . 3 1 1 A 32 32 SER HA H 147 4.951 5.335 -0.384 1
1 345 . 3 1 1 A 32 32 SER CA C 147 57.243 56.318 0.925 1
1 346 . 3 1 1 A 32 32 SER CB C 147 64.603 66.736 -2.133 1
1 347 . 3 1 1 A 32 32 SER N N 147 116.938 114.979 1.959 1
1 348 . 3 1 1 A 33 33 GLY H H 148 9.072 9.077 -0.005 1
1 349 . 3 1 1 A 33 33 GLY HA2 H 148 3.689 3.578 0.111 1
1 350 . 3 1 1 A 33 33 GLY HA3 H 148 3.690 3.695 -0.005 1
1 351 . 3 1 1 A 33 33 GLY CA C 148 48.614 47.594 1.020 1
1 352 . 3 1 1 A 33 33 GLY N N 148 109.104 108.641 0.463 1
1 353 . 3 1 1 A 34 34 ASP H H 149 8.600 8.372 0.228 1
1 354 . 3 1 1 A 34 34 ASP HA H 149 4.222 4.258 -0.036 1
1 357 . 3 1 1 A 34 34 ASP CA C 149 56.228 56.481 -0.253 1
1 358 . 3 1 1 A 34 34 ASP CB C 149 39.985 39.352 0.633 1
1 359 . 3 1 1 A 34 34 ASP N N 149 117.454 121.325 -3.871 1
1 360 . 3 1 1 A 35 35 LYS H H 150 7.453 7.616 -0.163 1
1 361 . 3 1 1 A 35 35 LYS HA H 150 4.352 4.268 0.084 1
1 370 . 3 1 1 A 35 35 LYS CA C 150 57.497 57.920 -0.423 1
1 371 . 3 1 1 A 35 35 LYS CB C 150 34.402 33.363 1.039 1
1 375 . 3 1 1 A 35 35 LYS N N 150 117.347 118.399 -1.052 1
1 376 . 3 1 1 A 36 36 VAL H H 151 7.691 8.492 -0.801 1
1 377 . 3 1 1 A 36 36 VAL HA H 151 3.979 3.465 0.514 1
1 385 . 3 1 1 A 36 36 VAL CA C 151 65.365 66.687 -1.322 1
1 386 . 3 1 1 A 36 36 VAL CB C 151 33.894 31.663 2.231 1
1 389 . 3 1 1 A 36 36 VAL N N 151 116.919 120.390 -3.471 1
1 390 . 3 1 1 A 37 37 LYS H H 152 8.610 8.723 -0.113 1
1 391 . 3 1 1 A 37 37 LYS HA H 152 4.100 4.224 -0.124 1
1 399 . 3 1 1 A 37 37 LYS CA C 152 58.005 61.525 -3.520 1
1 400 . 3 1 1 A 37 37 LYS CB C 152 29.834 29.877 -0.043 1
1 404 . 3 1 1 A 37 37 LYS N N 152 120.916 120.706 0.210 1
1 405 . 3 1 1 A 38 38 PRO HA H 153 4.248 4.406 -0.158 1
1 412 . 3 1 1 A 38 38 PRO CA C 153 66.380 65.178 1.202 1
1 413 . 3 1 1 A 38 38 PRO CB C 153 31.610 31.081 0.529 1
1 416 . 3 1 1 A 39 39 VAL H H 154 7.059 7.527 -0.468 1
1 417 . 3 1 1 A 39 39 VAL HA H 154 4.100 4.195 -0.095 1
1 425 . 3 1 1 A 39 39 VAL CA C 154 65.872 62.662 3.210 1
1 426 . 3 1 1 A 39 39 VAL CB C 154 32.118 31.974 0.144 1
1 429 . 3 1 1 A 39 39 VAL N N 154 116.812 116.564 0.248 1
1 430 . 3 1 1 A 40 40 LEU H H 155 8.203 7.779 0.424 1
1 431 . 3 1 1 A 40 40 LEU HA H 155 4.206 4.249 -0.043 1
1 441 . 3 1 1 A 40 40 LEU CA C 155 62.070 56.815 5.255 1
1 442 . 3 1 1 A 40 40 LEU CB C 155 42.121 42.452 -0.331 1
1 445 . 3 1 1 A 40 40 LEU N N 155 117.561 120.906 -3.345 1
1 446 . 3 1 1 A 41 41 LEU H H 156 8.629 8.550 0.079 1
1 447 . 3 1 1 A 41 41 LEU HA H 156 4.141 4.251 -0.110 1
1 457 . 3 1 1 A 41 41 LEU CA C 156 58.000 55.757 2.243 1
1 458 . 3 1 1 A 41 41 LEU CB C 156 41.762 40.898 0.864 1
1 462 . 3 1 1 A 42 42 ASN HA H 157 4.785 4.405 0.380 1
1 465 . 3 1 1 A 42 42 ASN CA C 157 54.959 56.595 -1.636 1
1 466 . 3 1 1 A 42 42 ASN CB C 157 37.701 38.297 -0.596 1
1 467 . 3 1 1 A 43 43 SER H H 158 7.849 7.652 0.197 1
1 468 . 3 1 1 A 43 43 SER HA H 158 3.480 4.620 -1.140 1
1 471 . 3 1 1 A 43 43 SER CA C 158 60.796 56.582 4.214 1
1 472 . 3 1 1 A 43 43 SER CB C 158 64.096 66.250 -2.154 1
1 473 . 3 1 1 A 43 43 SER N N 158 114.778 112.098 2.680 1
1 474 . 3 1 1 A 44 44 LYS H H 159 7.633 8.608 -0.975 1
1 475 . 3 1 1 A 44 44 LYS HA H 159 3.868 4.340 -0.472 1
1 484 . 3 1 1 A 44 44 LYS CA C 159 58.005 56.615 1.390 1
1 485 . 3 1 1 A 44 44 LYS CB C 159 29.341 32.699 -3.358 1
1 489 . 3 1 1 A 44 44 LYS N N 159 111.031 122.374 -11.343 1
1 490 . 3 1 1 A 45 45 LEU H H 160 7.287 7.312 -0.025 1
1 491 . 3 1 1 A 45 45 LEU HA H 160 4.421 4.361 0.060 1
1 501 . 3 1 1 A 45 45 LEU CA C 160 53.183 53.213 -0.030 1
1 502 . 3 1 1 A 45 45 LEU CB C 160 41.508 42.073 -0.565 1
1 506 . 3 1 1 A 45 45 LEU N N 160 121.094 122.529 -1.435 1
1 507 . 3 1 1 A 46 46 PRO HA H 161 4.493 4.541 -0.048 1
1 514 . 3 1 1 A 46 46 PRO CA C 161 62.065 62.533 -0.468 1
1 515 . 3 1 1 A 46 46 PRO CB C 161 32.879 32.973 -0.094 1
1 518 . 3 1 1 A 47 47 VAL H H 162 8.112 8.641 -0.529 1
1 519 . 3 1 1 A 47 47 VAL HA H 162 3.437 3.796 -0.359 1
1 527 . 3 1 1 A 47 47 VAL CA C 162 66.634 64.807 1.827 1
1 528 . 3 1 1 A 47 47 VAL CB C 162 28.508 31.632 -3.124 1
1 531 . 3 1 1 A 47 47 VAL N N 162 121.522 121.489 0.033 1
1 532 . 3 1 1 A 48 48 ASP H H 163 8.753 8.648 0.105 1
1 533 . 3 1 1 A 48 48 ASP HA H 163 4.582 4.340 0.242 1
1 536 . 3 1 1 A 48 48 ASP CA C 163 56.990 57.051 -0.061 1
1 537 . 3 1 1 A 48 48 ASP CB C 163 40.239 40.158 0.081 1
1 538 . 3 1 1 A 48 48 ASP N N 163 117.454 122.207 -4.753 1
1 539 . 3 1 1 A 49 49 ILE H H 164 7.051 7.817 -0.766 1
1 540 . 3 1 1 A 49 49 ILE HA H 164 3.802 3.856 -0.054 1
1 550 . 3 1 1 A 49 49 ILE CA C 164 63.081 64.328 -1.247 1
1 551 . 3 1 1 A 49 49 ILE CB C 164 36.940 37.466 -0.526 1
1 555 . 3 1 1 A 49 49 ILE N N 164 119.167 116.793 2.374 1
1 556 . 3 1 1 A 50 50 LEU H H 165 7.626 8.038 -0.412 1
1 557 . 3 1 1 A 50 50 LEU HA H 165 3.447 4.060 -0.613 1
1 567 . 3 1 1 A 50 50 LEU CA C 165 57.751 58.434 -0.683 1
1 568 . 3 1 1 A 50 50 LEU CB C 165 40.239 41.737 -1.498 1
1 572 . 3 1 1 A 50 50 LEU N N 165 119.274 122.354 -3.080 1
1 573 . 3 1 1 A 51 51 GLY H H 166 8.744 8.587 0.157 1
1 574 . 3 1 1 A 51 51 GLY HA2 H 166 3.480 3.770 -0.290 1
1 575 . 3 1 1 A 51 51 GLY HA3 H 166 2.888 3.802 -0.914 1
1 576 . 3 1 1 A 51 51 GLY CA C 166 46.584 47.304 -0.720 1
1 577 . 3 1 1 A 51 51 GLY N N 166 104.501 106.154 -1.653 1
1 578 . 3 1 1 A 52 52 ARG H H 167 7.189 7.901 -0.712 1
1 579 . 3 1 1 A 52 52 ARG HA H 167 3.977 4.119 -0.142 1
1 586 . 3 1 1 A 52 52 ARG CA C 167 59.527 59.322 0.205 1
1 587 . 3 1 1 A 52 52 ARG CB C 167 29.834 30.031 -0.197 1
1 590 . 3 1 1 A 52 52 ARG N N 167 122.700 122.462 0.238 1
1 591 . 3 1 1 A 53 53 VAL H H 168 8.411 8.145 0.266 1
1 592 . 3 1 1 A 53 53 VAL HA H 168 3.390 3.668 -0.278 1
1 600 . 3 1 1 A 53 53 VAL CA C 168 67.395 66.540 0.855 1
1 601 . 3 1 1 A 53 53 VAL CB C 168 31.103 31.585 -0.482 1
1 604 . 3 1 1 A 53 53 VAL N N 168 119.596 119.454 0.142 1
1 605 . 3 1 1 A 54 54 TRP H H 169 8.573 8.484 0.089 1
1 606 . 3 1 1 A 54 54 TRP HA H 169 3.738 4.234 -0.496 1
1 615 . 3 1 1 A 54 54 TRP CA C 169 61.812 61.153 0.659 1
1 616 . 3 1 1 A 54 54 TRP CB C 169 27.550 29.695 -2.145 1
1 622 . 3 1 1 A 54 54 TRP N N 169 121.308 121.561 -0.253 1
1 624 . 3 1 1 A 55 55 GLU H H 170 7.783 8.636 -0.853 1
1 625 . 3 1 1 A 55 55 GLU HA H 170 4.030 4.184 -0.154 1
1 630 . 3 1 1 A 55 55 GLU CA C 170 59.020 59.553 -0.533 1
1 631 . 3 1 1 A 55 55 GLU CB C 170 30.088 28.894 1.194 1
1 633 . 3 1 1 A 55 55 GLU N N 170 116.384 118.250 -1.866 1
1 634 . 3 1 1 A 56 56 LEU H H 171 8.005 7.788 0.217 1
1 635 . 3 1 1 A 56 56 LEU HA H 171 4.003 4.213 -0.210 1
1 645 . 3 1 1 A 56 56 LEU CA C 171 56.736 57.379 -0.643 1
1 646 . 3 1 1 A 56 56 LEU CB C 171 43.539 41.929 1.610 1
1 650 . 3 1 1 A 56 56 LEU N N 171 115.771 121.761 -5.990 1
1 651 . 3 1 1 A 57 57 SER H H 172 7.501 8.561 -1.060 1
1 652 . 3 1 1 A 57 57 SER HA H 172 4.154 4.316 -0.162 1
1 655 . 3 1 1 A 57 57 SER CA C 172 61.812 61.010 0.802 1
1 656 . 3 1 1 A 57 57 SER CB C 172 63.588 62.820 0.768 1
1 657 . 3 1 1 A 57 57 SER N N 172 112.209 113.929 -1.720 1
1 658 . 3 1 1 A 58 58 ASP H H 173 7.592 7.705 -0.113 1
1 659 . 3 1 1 A 58 58 ASP HA H 173 4.550 4.509 0.041 1
1 662 . 3 1 1 A 58 58 ASP CA C 173 51.914 53.246 -1.332 1
1 663 . 3 1 1 A 58 58 ASP CB C 173 36.940 39.721 -2.781 1
1 664 . 3 1 1 A 58 58 ASP N N 173 117.133 120.834 -3.701 1
1 665 . 3 1 1 A 59 59 ILE H H 174 8.078 7.819 0.259 1
1 666 . 3 1 1 A 59 59 ILE HA H 174 3.354 3.769 -0.415 1
1 676 . 3 1 1 A 59 59 ILE CA C 174 64.857 65.135 -0.278 1
1 677 . 3 1 1 A 59 59 ILE CB C 174 39.985 37.859 2.126 1
1 681 . 3 1 1 A 59 59 ILE N N 174 128.160 125.500 2.660 1
1 682 . 3 1 1 A 60 60 ASP H H 175 7.795 8.286 -0.491 1
1 683 . 3 1 1 A 60 60 ASP HA H 175 4.361 4.426 -0.065 1
1 686 . 3 1 1 A 60 60 ASP CA C 175 52.167 52.901 -0.734 1
1 687 . 3 1 1 A 60 60 ASP CB C 175 39.732 39.848 -0.116 1
1 688 . 3 1 1 A 60 60 ASP N N 175 113.493 117.416 -3.923 1
1 689 . 3 1 1 A 61 61 HIS H H 176 7.521 8.100 -0.579 1
1 690 . 3 1 1 A 61 61 HIS HA H 176 4.236 4.627 -0.391 1
1 694 . 3 1 1 A 61 61 HIS CA C 176 56.228 56.841 -0.613 1
1 695 . 3 1 1 A 61 61 HIS CB C 176 26.534 27.431 -0.897 1
1 697 . 3 1 1 A 61 61 HIS N N 176 112.637 118.127 -5.490 1
1 698 . 3 1 1 A 62 62 ASP H H 177 8.547 8.311 0.236 1
1 699 . 3 1 1 A 62 62 ASP HA H 177 4.769 4.477 0.292 1
1 702 . 3 1 1 A 62 62 ASP CA C 177 53.436 53.380 0.056 1
1 703 . 3 1 1 A 62 62 ASP CB C 177 40.747 40.462 0.285 1
1 704 . 3 1 1 A 62 62 ASP N N 177 118.739 120.027 -1.288 1
1 705 . 3 1 1 A 63 63 GLY H H 178 10.793 9.124 1.669 1
1 706 . 3 1 1 A 63 63 GLY HA2 H 178 4.398 4.106 0.292 1
1 707 . 3 1 1 A 63 63 GLY HA3 H 178 3.946 4.282 -0.336 1
1 708 . 3 1 1 A 63 63 GLY CA C 178 46.330 45.631 0.699 1
1 709 . 3 1 1 A 63 63 GLY N N 178 112.958 111.201 1.757 1
1 710 . 3 1 1 A 64 64 MET H H 179 8.337 7.704 0.633 1
1 711 . 3 1 1 A 64 64 MET HA H 179 5.360 5.155 0.205 1
1 719 . 3 1 1 A 64 64 MET CA C 179 52.929 54.281 -1.352 1
1 720 . 3 1 1 A 64 64 MET CB C 179 36.432 36.869 -0.437 1
1 722 . 3 1 1 A 64 64 MET N N 179 118.525 119.855 -1.330 1
1 723 . 3 1 1 A 65 65 LEU H H 180 9.471 10.063 -0.592 1
1 724 . 3 1 1 A 65 65 LEU HA H 180 5.838 5.047 0.791 1
1 734 . 3 1 1 A 65 65 LEU CA C 180 53.436 53.756 -0.320 1
1 735 . 3 1 1 A 65 65 LEU CB C 180 43.285 42.931 0.354 1
1 739 . 3 1 1 A 65 65 LEU N N 180 120.987 123.808 -2.821 1
1 740 . 3 1 1 A 66 66 ASP H H 181 9.203 8.731 0.472 1
1 741 . 3 1 1 A 66 66 ASP HA H 181 5.378 4.253 1.125 1
1 744 . 3 1 1 A 66 66 ASP CA C 181 51.914 53.089 -1.175 1
1 745 . 3 1 1 A 66 66 ASP CB C 181 40.493 41.434 -0.941 1
1 746 . 3 1 1 A 66 66 ASP N N 181 124.306 125.237 -0.931 1
1 747 . 3 1 1 A 67 67 ARG H H 182 8.130 8.282 -0.152 1
1 748 . 3 1 1 A 67 67 ARG HA H 182 2.758 3.038 -0.280 1
1 755 . 3 1 1 A 67 67 ARG CA C 182 60.543 59.437 1.106 1
1 756 . 3 1 1 A 67 67 ARG CB C 182 30.595 29.540 1.055 1
1 759 . 3 1 1 A 67 67 ARG N N 182 117.454 125.616 -8.162 1
1 760 . 3 1 1 A 68 68 ASP H H 183 7.871 8.793 -0.922 1
1 761 . 3 1 1 A 68 68 ASP HA H 183 4.748 4.603 0.145 1
1 764 . 3 1 1 A 68 68 ASP CA C 183 57.497 56.968 0.529 1
1 765 . 3 1 1 A 68 68 ASP CB C 183 40.747 40.444 0.303 1
1 766 . 3 1 1 A 68 68 ASP N N 183 119.703 119.334 0.369 1
1 767 . 3 1 1 A 69 69 GLU H H 184 8.775 8.327 0.448 1
1 768 . 3 1 1 A 69 69 GLU HA H 184 3.975 4.144 -0.169 1
1 773 . 3 1 1 A 69 69 GLU CA C 184 59.781 59.404 0.377 1
1 774 . 3 1 1 A 69 69 GLU CB C 184 31.762 29.533 2.229 1
1 776 . 3 1 1 A 69 69 GLU N N 184 120.987 120.539 0.448 1
1 777 . 3 1 1 A 70 70 PHE H H 185 9.331 9.113 0.218 1
1 778 . 3 1 1 A 70 70 PHE HA H 185 4.198 4.185 0.013 1
1 784 . 3 1 1 A 70 70 PHE CA C 185 61.812 61.580 0.232 1
1 785 . 3 1 1 A 70 70 PHE CB C 185 39.957 38.827 1.130 1
1 788 . 3 1 1 A 70 70 PHE N N 185 118.632 121.928 -3.296 1
1 789 . 3 1 1 A 71 71 ALA H H 186 7.622 8.244 -0.622 1
1 790 . 3 1 1 A 71 71 ALA HA H 186 3.991 4.194 -0.203 1
1 794 . 3 1 1 A 71 71 ALA CA C 186 55.213 55.273 -0.060 1
1 795 . 3 1 1 A 71 71 ALA CB C 186 18.921 18.167 0.754 1
1 796 . 3 1 1 A 71 71 ALA N N 186 120.131 121.350 -1.219 1
1 797 . 3 1 1 A 72 72 VAL H H 187 7.670 8.047 -0.377 1
1 798 . 3 1 1 A 72 72 VAL HA H 187 3.438 3.466 -0.028 1
1 806 . 3 1 1 A 72 72 VAL CA C 187 67.617 66.707 0.910 1
1 807 . 3 1 1 A 72 72 VAL CB C 187 31.357 31.643 -0.286 1
1 810 . 3 1 1 A 72 72 VAL N N 187 117.776 119.265 -1.489 1
1 811 . 3 1 1 A 73 73 ALA H H 188 8.040 8.157 -0.117 1
1 812 . 3 1 1 A 73 73 ALA HA H 188 3.892 3.966 -0.074 1
1 816 . 3 1 1 A 73 73 ALA CA C 188 55.974 55.519 0.455 1
1 817 . 3 1 1 A 73 73 ALA CB C 188 16.637 18.537 -1.900 1
1 818 . 3 1 1 A 73 73 ALA N N 188 122.058 121.823 0.235 1
1 819 . 3 1 1 A 74 74 MET H H 189 7.908 8.122 -0.214 1
1 820 . 3 1 1 A 74 74 MET HA H 189 3.900 3.851 0.049 1
1 828 . 3 1 1 A 74 74 MET CA C 189 55.974 58.125 -2.151 1
1 829 . 3 1 1 A 74 74 MET CB C 189 29.072 31.257 -2.185 1
1 832 . 3 1 1 A 74 74 MET N N 189 114.029 117.023 -2.994 1
1 833 . 3 1 1 A 75 75 PHE H H 190 8.298 7.704 0.594 1
1 834 . 3 1 1 A 75 75 PHE HA H 190 4.245 4.475 -0.230 1
1 840 . 3 1 1 A 75 75 PHE CA C 190 61.812 61.296 0.516 1
1 841 . 3 1 1 A 75 75 PHE CB C 190 39.732 39.299 0.433 1
1 844 . 3 1 1 A 75 75 PHE N N 190 121.174 122.049 -0.875 1
1 845 . 3 1 1 A 76 76 LEU H H 191 8.761 8.065 0.696 1
1 846 . 3 1 1 A 76 76 LEU HA H 191 3.987 3.954 0.033 1
1 856 . 3 1 1 A 76 76 LEU CA C 191 58.005 57.431 0.574 1
1 857 . 3 1 1 A 76 76 LEU CB C 191 43.792 41.529 2.263 1
1 859 . 3 1 1 A 76 76 LEU N N 191 119.596 119.616 -0.020 1
1 860 . 3 1 1 A 77 77 VAL H H 192 8.392 7.731 0.661 1
1 861 . 3 1 1 A 77 77 VAL HA H 192 3.205 3.534 -0.329 1
1 869 . 3 1 1 A 77 77 VAL CA C 192 67.395 66.350 1.045 1
1 870 . 3 1 1 A 77 77 VAL CB C 192 30.595 31.587 -0.992 1
1 873 . 3 1 1 A 77 77 VAL N N 192 120.773 119.290 1.483 1
1 874 . 3 1 1 A 78 78 TYR H H 193 8.617 8.074 0.543 1
1 875 . 3 1 1 A 78 78 TYR HA H 193 3.916 4.363 -0.447 1
1 880 . 3 1 1 A 78 78 TYR CA C 193 64.350 59.885 4.465 1
1 881 . 3 1 1 A 78 78 TYR CB C 193 36.940 37.697 -0.757 1
1 884 . 3 1 1 A 78 78 TYR N N 193 118.418 118.614 -0.196 1
1 885 . 3 1 1 A 79 79 CYS H H 194 7.979 7.849 0.130 1
1 886 . 3 1 1 A 79 79 CYS HA H 194 3.980 3.883 0.097 1
1 889 . 3 1 1 A 79 79 CYS CA C 194 63.842 62.124 1.718 1
1 890 . 3 1 1 A 79 79 CYS CB C 194 25.773 26.645 -0.872 1
1 891 . 3 1 1 A 79 79 CYS N N 194 117.133 118.309 -1.176 1
1 892 . 3 1 1 A 80 80 ALA H H 195 7.979 7.428 0.551 1
1 893 . 3 1 1 A 80 80 ALA HA H 195 4.372 4.086 0.286 1
1 897 . 3 1 1 A 80 80 ALA CA C 195 54.959 54.958 0.001 1
1 898 . 3 1 1 A 80 80 ALA CB C 195 17.906 18.454 -0.548 1
1 899 . 3 1 1 A 80 80 ALA N N 195 123.128 122.878 0.250 1
1 900 . 3 1 1 A 81 81 LEU H H 196 8.620 7.962 0.658 1
1 901 . 3 1 1 A 81 81 LEU HA H 196 3.957 3.979 -0.022 1
1 911 . 3 1 1 A 81 81 LEU CA C 196 57.497 57.655 -0.158 1
1 912 . 3 1 1 A 81 81 LEU CB C 196 40.747 41.356 -0.609 1
1 916 . 3 1 1 A 81 81 LEU N N 196 123.021 119.806 3.215 1
1 917 . 3 1 1 A 82 82 GLU H H 197 7.483 8.088 -0.605 1
1 918 . 3 1 1 A 82 82 GLU HA H 197 4.497 4.406 0.091 1
1 923 . 3 1 1 A 82 82 GLU CA C 197 56.418 56.343 0.075 1
1 924 . 3 1 1 A 82 82 GLU CB C 197 28.819 29.642 -0.823 1
1 926 . 3 1 1 A 82 82 GLU N N 197 118.311 117.060 1.251 1
1 927 . 3 1 1 A 83 83 LYS H H 198 7.832 7.663 0.169 1
1 928 . 3 1 1 A 83 83 LYS HA H 198 3.805 3.830 -0.025 1
1 937 . 3 1 1 A 83 83 LYS CA C 198 57.497 57.308 0.189 1
1 938 . 3 1 1 A 83 83 LYS CB C 198 28.057 29.498 -1.441 1
1 942 . 3 1 1 A 83 83 LYS N N 198 111.674 116.602 -4.928 1
1 943 . 3 1 1 A 84 84 GLU H H 199 8.098 8.175 -0.077 1
1 944 . 3 1 1 A 84 84 GLU HA H 199 4.635 4.775 -0.140 1
1 949 . 3 1 1 A 84 84 GLU CA C 199 53.944 53.368 0.576 1
1 950 . 3 1 1 A 84 84 GLU CB C 199 29.580 30.278 -0.698 1
1 952 . 3 1 1 A 84 84 GLU N N 199 121.737 117.404 4.333 1
1 953 . 3 1 1 A 85 85 PRO HA H 200 4.344 4.600 -0.256 1
1 960 . 3 1 1 A 85 85 PRO CA C 200 62.065 62.989 -0.924 1
1 961 . 3 1 1 A 85 85 PRO CB C 200 32.118 31.926 0.192 1
1 964 . 3 1 1 A 86 86 VAL H H 201 8.534 8.494 0.040 1
1 965 . 3 1 1 A 86 86 VAL HA H 201 4.275 4.461 -0.186 1
1 973 . 3 1 1 A 86 86 VAL CA C 201 60.035 59.503 0.532 1
1 974 . 3 1 1 A 86 86 VAL CB C 201 32.118 32.132 -0.014 1
1 977 . 3 1 1 A 86 86 VAL N N 201 125.055 123.583 1.472 1
1 978 . 3 1 1 A 87 87 PRO HA H 202 4.571 4.773 -0.202 1
1 985 . 3 1 1 A 87 87 PRO CA C 202 62.827 62.839 -0.012 1
1 986 . 3 1 1 A 87 87 PRO CB C 202 32.879 32.618 0.261 1
1 989 . 3 1 1 A 88 88 MET H H 203 8.536 8.328 0.208 1
1 990 . 3 1 1 A 88 88 MET HA H 203 4.437 4.400 0.037 1
1 998 . 3 1 1 A 88 88 MET CA C 203 55.974 55.621 0.353 1
1 999 . 3 1 1 A 88 88 MET CB C 203 32.372 33.095 -0.723 1
1 1001 . 3 1 1 A 88 88 MET N N 203 114.671 118.610 -3.939 1
1 1002 . 3 1 1 A 89 89 SER H H 204 7.588 7.770 -0.182 1
1 1003 . 3 1 1 A 89 89 SER HA H 204 4.482 4.960 -0.478 1
1 1006 . 3 1 1 A 89 89 SER CA C 204 56.482 57.428 -0.946 1
1 1007 . 3 1 1 A 89 89 SER CB C 204 65.111 65.060 0.051 1
1 1008 . 3 1 1 A 89 89 SER N N 204 110.603 115.969 -5.366 1
1 1009 . 3 1 1 A 90 90 LEU H H 205 9.188 8.609 0.579 1
1 1010 . 3 1 1 A 90 90 LEU HA H 205 4.314 4.403 -0.089 1
1 1020 . 3 1 1 A 90 90 LEU CA C 205 53.436 53.315 0.121 1
1 1021 . 3 1 1 A 90 90 LEU CB C 205 41.785 42.817 -1.032 1
1 1024 . 3 1 1 A 90 90 LEU N N 205 124.627 129.420 -4.793 1
1 1025 . 3 1 1 A 91 91 PRO HA H 206 4.794 4.728 0.066 1
1 1032 . 3 1 1 A 91 91 PRO CA C 206 61.304 62.130 -0.826 1
1 1033 . 3 1 1 A 91 91 PRO CB C 206 31.116 31.787 -0.671 1
1 1036 . 3 1 1 A 92 92 PRO HA H 207 4.221 4.359 -0.138 1
1 1043 . 3 1 1 A 92 92 PRO CA C 207 66.057 64.852 1.205 1
1 1044 . 3 1 1 A 92 92 PRO CB C 207 31.889 31.782 0.107 1
1 1047 . 3 1 1 A 93 93 ALA H H 208 8.509 8.193 0.316 1
1 1048 . 3 1 1 A 93 93 ALA HA H 208 4.181 4.232 -0.051 1
1 1052 . 3 1 1 A 93 93 ALA CA C 208 54.198 54.227 -0.029 1
1 1053 . 3 1 1 A 93 93 ALA CB C 208 18.413 18.369 0.044 1
1 1054 . 3 1 1 A 93 93 ALA N N 208 115.742 120.247 -4.505 1
1 1055 . 3 1 1 A 94 94 LEU H H 209 8.225 8.072 0.153 1
1 1056 . 3 1 1 A 94 94 LEU HA H 209 4.341 4.517 -0.176 1
1 1066 . 3 1 1 A 94 94 LEU CA C 209 54.452 54.475 -0.023 1
1 1067 . 3 1 1 A 94 94 LEU CB C 209 43.285 42.206 1.079 1
1 1071 . 3 1 1 A 94 94 LEU N N 209 118.204 113.823 4.381 1
1 1072 . 3 1 1 A 95 95 VAL H H 210 7.400 7.685 -0.285 1
1 1073 . 3 1 1 A 95 95 VAL HA H 210 3.762 4.248 -0.486 1
1 1081 . 3 1 1 A 95 95 VAL CA C 210 61.812 60.642 1.170 1
1 1082 . 3 1 1 A 95 95 VAL CB C 210 32.118 32.273 -0.155 1
1 1085 . 3 1 1 A 95 95 VAL N N 210 123.021 123.423 -0.402 1
1 1089 . 3 1 1 A 97 97 PRO HA H 212 3.641 4.131 -0.490 1
1 1096 . 3 1 1 A 97 97 PRO CA C 212 66.126 65.376 0.750 1
1 1097 . 3 1 1 A 97 97 PRO CB C 212 31.864 31.745 0.119 1
1 1100 . 3 1 1 A 98 98 SER H H 213 8.243 7.937 0.306 1
1 1101 . 3 1 1 A 98 98 SER HA H 213 4.124 4.160 -0.036 1
1 1104 . 3 1 1 A 98 98 SER CA C 213 59.781 60.690 -0.909 1
1 1105 . 3 1 1 A 98 98 SER CB C 213 62.573 63.117 -0.544 1
1 1106 . 3 1 1 A 98 98 SER N N 213 110.924 112.565 -1.641 1
1 1107 . 3 1 1 A 99 99 LYS H H 214 8.125 7.607 0.518 1
1 1108 . 3 1 1 A 99 99 LYS HA H 214 4.563 4.475 0.088 1
1 1117 . 3 1 1 A 99 99 LYS CA C 214 54.198 55.583 -1.385 1
1 1118 . 3 1 1 A 99 99 LYS CB C 214 32.879 32.528 0.351 1
1 1122 . 3 1 1 A 99 99 LYS N N 214 120.024 116.963 3.061 1
1 1180 . 3 2 2 B 7 7 SER HA H 302 4.483 4.714 -0.231 1
1 1183 . 3 2 2 B 7 7 SER CA C 302 58.429 57.196 1.233 1
1 1184 . 3 2 2 B 7 7 SER CB C 302 63.758 62.944 0.814 1
1 1185 . 3 2 2 B 8 8 VAL H H 303 8.238 8.121 0.117 1
1 1186 . 3 2 2 B 8 8 VAL HA H 303 4.252 4.021 0.231 1
1 1194 . 3 2 2 B 8 8 VAL CA C 303 62.311 64.732 -2.421 1
1 1195 . 3 2 2 B 8 8 VAL CB C 303 32.824 32.398 0.426 1
1 1198 . 3 2 2 B 8 8 VAL N N 303 121.875 122.959 -1.084 1
1 1199 . 3 2 2 B 9 9 THR H H 304 8.221 7.955 0.266 1
1 1200 . 3 2 2 B 9 9 THR HA H 304 4.369 4.181 0.188 1
1 1205 . 3 2 2 B 9 9 THR CA C 304 61.795 65.110 -3.315 1
1 1206 . 3 2 2 B 9 9 THR CB C 304 69.666 68.639 1.027 1
1 1208 . 3 2 2 B 9 9 THR N N 304 117.435 116.723 0.712 1
1 1209 . 3 2 2 B 10 10 GLU H H 305 8.342 8.378 -0.036 1
1 1210 . 3 2 2 B 10 10 GLU HA H 305 4.292 4.428 -0.136 1
1 1215 . 3 2 2 B 10 10 GLU CA C 305 56.488 55.367 1.121 1
1 1216 . 3 2 2 B 10 10 GLU CB C 305 30.344 28.635 1.709 1
1 1218 . 3 2 2 B 10 10 GLU N N 305 123.467 123.976 -0.509 1
1 1219 . 3 2 2 B 11 11 ALA H H 306 8.299 8.102 0.197 1
1 1220 . 3 2 2 B 11 11 ALA HA H 306 4.330 4.593 -0.263 1
1 1224 . 3 2 2 B 11 11 ALA CA C 306 52.164 51.683 0.481 1
1 1225 . 3 2 2 B 11 11 ALA CB C 306 19.377 19.456 -0.079 1
1 1226 . 3 2 2 B 11 11 ALA N N 306 124.975 129.801 -4.826 1
1 1227 . 3 2 2 B 12 12 SER H H 307 8.304 7.624 0.680 1
1 1228 . 3 2 2 B 12 12 SER HA H 307 4.628 4.577 0.051 1
1 1231 . 3 2 2 B 12 12 SER CA C 307 56.214 56.920 -0.706 1
1 1232 . 3 2 2 B 12 12 SER CB C 307 63.419 63.735 -0.316 1
1 1233 . 3 2 2 B 12 12 SER N N 307 116.597 116.352 0.245 1
1 1234 . 3 2 2 B 13 13 PRO HA H 308 4.395 4.524 -0.129 1
1 1241 . 3 2 2 B 13 13 PRO CA C 308 63.060 62.970 0.090 1
1 1242 . 3 2 2 B 13 13 PRO CB C 308 31.844 29.770 2.074 1
1 1245 . 3 2 2 B 14 14 TRP H H 309 8.038 7.607 0.431 1
1 1246 . 3 2 2 B 14 14 TRP HA H 309 4.930 5.115 -0.185 1
1 1255 . 3 2 2 B 14 14 TRP CA C 309 54.944 56.036 -1.092 1
1 1256 . 3 2 2 B 14 14 TRP CB C 309 30.324 33.262 -2.938 1
1 1262 . 3 2 2 B 14 14 TRP N N 309 121.372 123.291 -1.919 1
1 1264 . 3 2 2 B 15 15 ARG H H 310 8.827 8.558 0.269 1
1 1265 . 3 2 2 B 15 15 ARG HA H 310 4.336 4.582 -0.246 1
1 1272 . 3 2 2 B 15 15 ARG CA C 310 56.617 55.541 1.076 1
1 1273 . 3 2 2 B 15 15 ARG CB C 310 31.336 29.184 2.152 1
1 1276 . 3 2 2 B 15 15 ARG N N 310 122.043 120.530 1.513 1
1 1277 . 3 2 2 B 16 16 ALA H H 311 8.551 8.102 0.449 1
1 1278 . 3 2 2 B 16 16 ALA HA H 311 4.140 3.976 0.164 1
1 1282 . 3 2 2 B 16 16 ALA CA C 311 54.460 55.156 -0.696 1
1 1283 . 3 2 2 B 16 16 ALA CB C 311 18.884 17.210 1.674 1
1 1284 . 3 2 2 B 16 16 ALA N N 311 120.702 118.867 1.835 1
1 1285 . 3 2 2 B 17 17 THR H H 312 7.286 8.938 -1.652 1
1 1286 . 3 2 2 B 17 17 THR HA H 312 4.219 4.141 0.078 1
1 1291 . 3 2 2 B 17 17 THR CA C 312 60.544 64.802 -4.258 1
1 1292 . 3 2 2 B 17 17 THR CB C 312 68.647 68.686 -0.039 1
1 1294 . 3 2 2 B 17 17 THR N N 312 124.807 111.348 13.459 1
1 1295 . 3 2 2 B 18 18 ASN H H 313 7.918 7.799 0.119 1
1 1296 . 3 2 2 B 18 18 ASN HA H 313 4.269 4.875 -0.606 1
1 1301 . 3 2 2 B 18 18 ASN CA C 313 50.640 51.035 -0.395 1
1 1302 . 3 2 2 B 18 18 ASN CB C 313 39.462 39.746 -0.284 1
1 1303 . 3 2 2 B 18 18 ASN N N 313 123.467 121.879 1.588 1
1 1305 . 3 2 2 B 19 19 PRO HA H 314 4.135 4.435 -0.300 1
1 1312 . 3 2 2 B 19 19 PRO CA C 314 63.314 63.661 -0.347 1
1 1313 . 3 2 2 B 19 19 PRO CB C 314 31.336 32.782 -1.446 1
1 1316 . 3 2 2 B 20 20 PHE H H 315 8.568 7.817 0.751 1
1 1317 . 3 2 2 B 20 20 PHE HA H 315 4.144 4.599 -0.455 1
1 1323 . 3 2 2 B 20 20 PHE CA C 315 59.513 57.404 2.109 1
1 1324 . 3 2 2 B 20 20 PHE CB C 315 37.658 40.041 -2.383 1
1 1328 . 3 2 2 B 20 20 PHE N N 315 116.848 118.356 -1.508 1
1 1329 . 3 2 2 B 21 21 LEU H H 316 7.332 7.819 -0.487 1
1 1330 . 3 2 2 B 21 21 LEU HA H 316 4.393 4.351 0.042 1
1 1340 . 3 2 2 B 21 21 LEU CA C 316 55.961 57.173 -1.212 1
1 1341 . 3 2 2 B 21 21 LEU CB C 316 43.017 41.820 1.197 1
1 1345 . 3 2 2 B 21 21 LEU N N 316 120.283 116.164 4.119 1
1 1346 . 3 2 2 B 22 22 ASN H H 317 8.010 8.299 -0.289 1
1 1347 . 3 2 2 B 22 22 ASN HA H 317 4.613 4.761 -0.148 1
1 1352 . 3 2 2 B 22 22 ASN CA C 317 53.224 54.865 -1.641 1
1 1353 . 3 2 2 B 22 22 ASN CB C 317 38.714 37.669 1.045 1
1 1354 . 3 2 2 B 22 22 ASN N N 317 117.602 117.825 -0.223 1
1 1356 . 3 2 2 B 23 23 GLU H H 318 8.344 8.768 -0.424 1
1 1357 . 3 2 2 B 23 23 GLU HA H 318 4.373 4.214 0.159 1
1 1362 . 3 2 2 B 23 23 GLU CA C 318 56.974 58.769 -1.795 1
1 1363 . 3 2 2 B 23 23 GLU CB C 318 30.323 28.167 2.156 1
1 1365 . 3 2 2 B 23 23 GLU N N 318 121.523 118.632 2.891 1
1 1366 . 3 2 2 B 24 24 THR H H 319 8.295 7.254 1.041 1
1 1367 . 3 2 2 B 24 24 THR HA H 319 4.398 4.347 0.051 1
1 1372 . 3 2 2 B 24 24 THR CA C 319 61.940 64.712 -2.772 1
1 1373 . 3 2 2 B 24 24 THR CB C 319 70.138 68.531 1.607 1
1 1375 . 3 2 2 B 24 24 THR N N 319 115.089 114.939 0.150 1
1 1376 . 3 2 2 B 25 25 LEU H H 320 8.639 7.142 1.497 1
1 1377 . 3 2 2 B 25 25 LEU HA H 320 4.237 4.558 -0.321 1
1 1387 . 3 2 2 B 25 25 LEU CA C 320 55.196 53.736 1.460 1
1 1388 . 3 2 2 B 25 25 LEU CB C 320 40.733 42.264 -1.531 1
1 1392 . 3 2 2 B 25 25 LEU N N 320 122.143 115.281 6.862 1
1 1393 . 3 2 2 B 26 26 GLN H H 321 8.121 7.632 0.489 1
1 1394 . 3 2 2 B 26 26 GLN HA H 321 4.217 3.978 0.239 1
1 1401 . 3 2 2 B 26 26 GLN CA C 321 56.987 56.718 0.269 1
1 1402 . 3 2 2 B 26 26 GLN CB C 321 29.309 27.195 2.114 1
1 1404 . 3 2 2 B 26 26 GLN N N 321 119.864 115.020 4.844 1
1 1406 . 3 2 2 B 27 27 ASP H H 322 8.489 8.222 0.267 1
1 1407 . 3 2 2 B 27 27 ASP HA H 322 4.656 4.950 -0.294 1
1 1410 . 3 2 2 B 27 27 ASP CA C 322 54.170 54.346 -0.176 1
1 1411 . 3 2 2 B 27 27 ASP CB C 322 40.758 42.502 -1.744 1
1 1412 . 3 2 2 B 27 27 ASP N N 322 119.864 119.009 0.855 1
1 1413 . 3 2 2 B 28 28 VAL H H 323 7.588 8.856 -1.268 1
1 1414 . 3 2 2 B 28 28 VAL HA H 323 4.094 4.408 -0.314 1
1 1422 . 3 2 2 B 28 28 VAL CA C 323 61.797 61.251 0.546 1
1 1423 . 3 2 2 B 28 28 VAL CB C 323 32.915 32.164 0.751 1
1 1426 . 3 2 2 B 28 28 VAL N N 323 119.446 123.830 -4.384 1
1 1427 . 3 2 2 B 29 29 GLN H H 324 8.451 8.290 0.161 1
1 1428 . 3 2 2 B 29 29 GLN HA H 324 4.633 4.824 -0.191 1
1 1435 . 3 2 2 B 29 29 GLN CA C 324 53.138 52.169 0.969 1
1 1436 . 3 2 2 B 29 29 GLN CB C 324 28.795 28.938 -0.143 1
1 1438 . 3 2 2 B 29 29 GLN N N 324 125.897 127.188 -1.291 1
1 1440 . 3 2 2 B 30 30 PRO HA H 325 4.486 4.911 -0.425 1
1 1447 . 3 2 2 B 30 30 PRO CA C 325 62.553 62.236 0.317 1
1 1448 . 3 2 2 B 30 30 PRO CB C 325 32.316 29.727 2.589 1
1 1451 . 3 2 2 B 31 31 SER H H 326 7.858 8.841 -0.983 1
1 1452 . 3 2 2 B 31 31 SER HA H 326 4.734 4.491 0.243 1
1 1455 . 3 2 2 B 31 31 SER CA C 326 55.447 57.751 -2.304 1
1 1456 . 3 2 2 B 31 31 SER CB C 326 63.822 63.234 0.588 1
1 1457 . 3 2 2 B 31 31 SER N N 326 115.759 118.171 -2.412 1
1 1458 . 3 2 2 B 32 32 PRO HA H 327 4.554 4.520 0.034 1
1 1465 . 3 2 2 B 32 32 PRO CA C 327 64.076 63.695 0.381 1
1 1466 . 3 2 2 B 32 32 PRO CB C 327 32.098 31.779 0.319 1
1 1469 . 3 2 2 B 33 33 ILE H H 328 8.233 8.142 0.091 1
1 1470 . 3 2 2 B 33 33 ILE HA H 328 3.829 4.287 -0.458 1
1 1480 . 3 2 2 B 33 33 ILE CA C 328 58.518 60.939 -2.421 1
1 1481 . 3 2 2 B 33 33 ILE CB C 328 36.419 37.373 -0.954 1
1 1485 . 3 2 2 B 33 33 ILE N N 328 121.037 117.700 3.337 1
1 1486 . 3 2 2 B 34 34 ASN H H 329 8.672 7.588 1.084 1
1 1487 . 3 2 2 B 34 34 ASN HA H 329 5.225 4.914 0.311 1
1 1492 . 3 2 2 B 34 34 ASN CA C 329 49.359 50.596 -1.237 1
1 1493 . 3 2 2 B 34 34 ASN CB C 329 38.952 39.960 -1.008 1
1 1494 . 3 2 2 B 34 34 ASN N N 329 121.624 119.642 1.982 1
1 1496 . 3 2 2 B 35 35 PRO HA H 330 4.509 4.211 0.298 1
1 1503 . 3 2 2 B 35 35 PRO CA C 330 62.553 63.519 -0.966 1
1 1504 . 3 2 2 B 35 35 PRO CB C 330 31.844 31.773 0.071 1
1 1507 . 3 2 2 B 36 36 PHE H H 331 7.738 7.621 0.117 1
1 1508 . 3 2 2 B 36 36 PHE HA H 331 4.836 4.400 0.436 1
1 1514 . 3 2 2 B 36 36 PHE CA C 331 56.981 57.213 -0.232 1
1 1515 . 3 2 2 B 36 36 PHE CB C 331 39.210 38.519 0.691 1
1 1519 . 3 2 2 B 36 36 PHE N N 331 116.513 116.167 0.346 1
1 1520 . 3 2 2 B 37 37 SER H H 332 7.221 7.940 -0.719 1
1 1521 . 3 2 2 B 37 37 SER HA H 332 4.273 3.895 0.378 1
1 1524 . 3 2 2 B 37 37 SER CA C 332 61.794 61.710 0.084 1
1 1525 . 3 2 2 B 37 37 SER CB C 332 62.810 63.053 -0.243 1
1 1526 . 3 2 2 B 37 37 SER N N 332 115.256 117.053 -1.797 1
1 1527 . 3 2 2 B 38 38 ALA H H 333 8.551 7.671 0.880 1
1 1528 . 3 2 2 B 38 38 ALA HA H 333 4.308 4.212 0.096 1
1 1532 . 3 2 2 B 38 38 ALA CA C 333 54.464 54.447 0.017 1
1 1533 . 3 2 2 B 38 38 ALA CB C 333 18.148 18.334 -0.186 1
1 1534 . 3 2 2 B 38 38 ALA N N 333 123.216 123.065 0.151 1
1 1535 . 3 2 2 B 39 39 PHE H H 334 7.842 7.978 -0.136 1
1 1536 . 3 2 2 B 39 39 PHE HA H 334 4.165 4.170 -0.005 1
1 1542 . 3 2 2 B 39 39 PHE CA C 334 60.541 61.406 -0.865 1
1 1543 . 3 2 2 B 39 39 PHE CB C 334 38.703 39.098 -0.395 1
1 1547 . 3 2 2 B 39 39 PHE N N 334 117.602 119.762 -2.160 1
1 1548 . 3 2 2 B 40 40 PHE H H 335 7.668 7.609 0.059 1
1 1549 . 3 2 2 B 40 40 PHE HA H 335 4.626 4.192 0.434 1
1 1555 . 3 2 2 B 40 40 PHE CA C 335 58.997 61.981 -2.984 1
1 1556 . 3 2 2 B 40 40 PHE CB C 335 39.427 38.331 1.096 1
1 1560 . 3 2 2 B 40 40 PHE N N 335 117.267 117.633 -0.366 1
1 1561 . 3 2 2 B 41 41 GLU H H 336 8.105 8.155 -0.050 1
1 1562 . 3 2 2 B 41 41 GLU HA H 336 4.263 4.153 0.110 1
1 1567 . 3 2 2 B 41 41 GLU CA C 336 57.653 59.475 -1.822 1
1 1568 . 3 2 2 B 41 41 GLU CB C 336 30.320 29.462 0.858 1
1 1570 . 3 2 2 B 41 41 GLU N N 336 120.426 121.153 -0.727 1
1 1571 . 3 2 2 B 42 42 GLU H H 337 8.140 7.966 0.174 1
1 1572 . 3 2 2 B 42 42 GLU HA H 337 4.259 4.232 0.027 1
1 1577 . 3 2 2 B 42 42 GLU CA C 337 56.969 58.176 -1.207 1
1 1578 . 3 2 2 B 42 42 GLU CB C 337 30.018 29.642 0.376 1
1 1580 . 3 2 2 B 42 42 GLU N N 337 120.291 119.375 0.916 1
1 1581 . 3 2 2 B 43 43 GLN H H 338 8.058 7.779 0.279 1
1 1582 . 3 2 2 B 43 43 GLN HA H 338 4.282 3.850 0.432 1
1 1587 . 3 2 2 B 43 43 GLN CA C 338 56.127 59.004 -2.877 1
1 1588 . 3 2 2 B 43 43 GLN CB C 338 29.560 28.298 1.262 1
1 1590 . 3 2 2 B 43 43 GLN N N 338 119.529 118.144 1.385 1
1 1591 . 3 2 2 B 44 44 GLU H H 339 8.254 8.060 0.194 1
1 1592 . 3 2 2 B 44 44 GLU HA H 339 4.275 4.459 -0.184 1
1 1597 . 3 2 2 B 44 44 GLU CA C 339 56.683 56.076 0.607 1
1 1598 . 3 2 2 B 44 44 GLU N N 339 121.540 116.276 5.264 1
1 51 . 4 1 1 A 7 7 TRP H H 122 8.903 8.237 0.666 1
1 52 . 4 1 1 A 7 7 TRP HA H 122 5.048 5.440 -0.392 1
1 61 . 4 1 1 A 7 7 TRP CA C 122 54.452 57.630 -3.178 1
1 62 . 4 1 1 A 7 7 TRP CB C 122 29.834 30.375 -0.541 1
1 68 . 4 1 1 A 7 7 TRP N N 122 123.342 123.860 -0.518 1
1 70 . 4 1 1 A 8 8 ALA H H 123 8.015 8.145 -0.130 1
1 71 . 4 1 1 A 8 8 ALA HA H 123 3.864 3.570 0.294 1
1 75 . 4 1 1 A 8 8 ALA CA C 123 53.436 54.970 -1.534 1
1 76 . 4 1 1 A 8 8 ALA CB C 123 19.174 17.742 1.432 1
1 77 . 4 1 1 A 8 8 ALA N N 123 128.053 129.518 -1.465 1
1 78 . 4 1 1 A 9 9 VAL H H 124 5.029 6.517 -1.488 1
1 79 . 4 1 1 A 9 9 VAL HA H 124 3.497 3.610 -0.113 1
1 87 . 4 1 1 A 9 9 VAL CA C 124 61.304 62.023 -0.719 1
1 88 . 4 1 1 A 9 9 VAL CB C 124 29.834 30.340 -0.506 1
1 91 . 4 1 1 A 9 9 VAL N N 124 113.760 117.679 -3.919 1
1 92 . 4 1 1 A 10 10 LYS H H 125 8.812 7.977 0.835 1
1 93 . 4 1 1 A 10 10 LYS HA H 125 4.383 4.374 0.009 1
1 102 . 4 1 1 A 10 10 LYS CA C 125 54.959 54.381 0.578 1
1 103 . 4 1 1 A 10 10 LYS CB C 125 30.849 32.568 -1.719 1
1 107 . 4 1 1 A 10 10 LYS N N 125 129.016 128.597 0.419 1
1 108 . 4 1 1 A 11 11 PRO HA H 126 4.229 4.280 -0.051 1
1 115 . 4 1 1 A 11 11 PRO CA C 126 65.872 65.725 0.147 1
1 116 . 4 1 1 A 11 11 PRO CB C 126 32.118 31.914 0.204 1
1 119 . 4 1 1 A 12 12 GLU H H 127 9.749 8.300 1.449 1
1 120 . 4 1 1 A 12 12 GLU HA H 127 4.075 4.035 0.040 1
1 125 . 4 1 1 A 12 12 GLU CA C 127 59.464 59.465 -0.001 1
1 126 . 4 1 1 A 12 12 GLU CB C 127 28.565 29.358 -0.793 1
1 128 . 4 1 1 A 12 12 GLU N N 127 117.669 117.921 -0.252 1
1 129 . 4 1 1 A 13 13 ASP H H 128 6.907 8.153 -1.246 1
1 130 . 4 1 1 A 13 13 ASP HA H 128 4.115 4.084 0.031 1
1 133 . 4 1 1 A 13 13 ASP CA C 128 56.482 56.283 0.199 1
1 134 . 4 1 1 A 13 13 ASP CB C 128 40.239 40.616 -0.377 1
1 135 . 4 1 1 A 13 13 ASP N N 128 120.880 119.698 1.182 1
1 136 . 4 1 1 A 14 14 LYS H H 129 8.162 8.275 -0.113 1
1 137 . 4 1 1 A 14 14 LYS HA H 129 3.645 3.950 -0.305 1
1 146 . 4 1 1 A 14 14 LYS CA C 129 58.512 59.392 -0.880 1
1 147 . 4 1 1 A 14 14 LYS CB C 129 32.118 32.359 -0.241 1
1 151 . 4 1 1 A 14 14 LYS N N 129 120.161 121.293 -1.132 1
1 152 . 4 1 1 A 15 15 ALA H H 130 7.836 8.185 -0.349 1
1 153 . 4 1 1 A 15 15 ALA HA H 130 4.254 4.141 0.113 1
1 157 . 4 1 1 A 15 15 ALA CA C 130 55.213 54.905 0.308 1
1 158 . 4 1 1 A 15 15 ALA CB C 130 17.906 18.186 -0.280 1
1 159 . 4 1 1 A 15 15 ALA N N 130 118.204 119.868 -1.664 1
1 160 . 4 1 1 A 16 16 LYS H H 131 7.055 7.659 -0.604 1
1 161 . 4 1 1 A 16 16 LYS HA H 131 4.128 4.103 0.025 1
1 170 . 4 1 1 A 16 16 LYS CA C 131 59.274 59.227 0.047 1
1 171 . 4 1 1 A 16 16 LYS CB C 131 31.864 31.981 -0.117 1
1 175 . 4 1 1 A 16 16 LYS N N 131 119.703 119.304 0.399 1
1 176 . 4 1 1 A 17 17 TYR H H 132 8.606 7.896 0.710 1
1 177 . 4 1 1 A 17 17 TYR HA H 132 4.812 4.432 0.380 1
1 182 . 4 1 1 A 17 17 TYR CA C 132 58.005 61.576 -3.571 1
1 183 . 4 1 1 A 17 17 TYR CB C 132 35.417 37.768 -2.351 1
1 186 . 4 1 1 A 17 17 TYR N N 132 122.165 118.750 3.415 1
1 187 . 4 1 1 A 18 18 ASP H H 133 9.404 8.503 0.901 1
1 188 . 4 1 1 A 18 18 ASP HA H 133 4.456 4.359 0.097 1
1 191 . 4 1 1 A 18 18 ASP CA C 133 57.497 57.421 0.076 1
1 192 . 4 1 1 A 18 18 ASP CB C 133 40.493 40.086 0.407 1
1 193 . 4 1 1 A 18 18 ASP N N 133 121.201 119.539 1.662 1
1 194 . 4 1 1 A 19 19 ALA H H 134 7.360 7.653 -0.293 1
1 195 . 4 1 1 A 19 19 ALA HA H 134 4.383 4.105 0.278 1
1 199 . 4 1 1 A 19 19 ALA CA C 134 54.959 55.172 -0.213 1
1 200 . 4 1 1 A 19 19 ALA CB C 134 17.906 18.616 -0.710 1
1 201 . 4 1 1 A 19 19 ALA N N 134 120.666 123.034 -2.368 1
1 202 . 4 1 1 A 20 20 ILE H H 135 7.778 8.016 -0.238 1
1 203 . 4 1 1 A 20 20 ILE HA H 135 3.795 3.920 -0.125 1
1 213 . 4 1 1 A 20 20 ILE CA C 135 64.857 64.574 0.283 1
1 214 . 4 1 1 A 20 20 ILE CB C 135 38.463 37.940 0.523 1
1 218 . 4 1 1 A 20 20 ILE N N 135 120.238 116.535 3.703 1
1 219 . 4 1 1 A 21 21 PHE H H 136 9.262 8.943 0.319 1
1 220 . 4 1 1 A 21 21 PHE HA H 136 3.195 4.048 -0.853 1
1 226 . 4 1 1 A 21 21 PHE CA C 136 62.065 62.198 -0.133 1
1 227 . 4 1 1 A 21 21 PHE CB C 136 38.970 39.130 -0.160 1
1 231 . 4 1 1 A 21 21 PHE N N 136 123.878 123.592 0.286 1
1 232 . 4 1 1 A 22 22 ASP H H 137 8.410 8.554 -0.144 1
1 233 . 4 1 1 A 22 22 ASP HA H 137 4.287 4.471 -0.184 1
1 236 . 4 1 1 A 22 22 ASP CA C 137 57.497 57.470 0.027 1
1 237 . 4 1 1 A 22 22 ASP CB C 137 40.493 42.051 -1.558 1
1 238 . 4 1 1 A 22 22 ASP N N 137 115.420 120.001 -4.581 1
1 239 . 4 1 1 A 23 23 SER H H 138 7.946 8.016 -0.070 1
1 240 . 4 1 1 A 23 23 SER HA H 138 4.475 4.331 0.144 1
1 243 . 4 1 1 A 23 23 SER CA C 138 60.543 60.762 -0.219 1
1 244 . 4 1 1 A 23 23 SER CB C 138 63.334 62.870 0.464 1
1 245 . 4 1 1 A 23 23 SER N N 138 117.133 114.034 3.099 1
1 246 . 4 1 1 A 24 24 LEU H H 139 7.338 7.518 -0.180 1
1 247 . 4 1 1 A 24 24 LEU HA H 139 4.333 4.314 0.019 1
1 257 . 4 1 1 A 24 24 LEU CA C 139 54.452 54.435 0.017 1
1 258 . 4 1 1 A 24 24 LEU CB C 139 42.016 42.178 -0.162 1
1 262 . 4 1 1 A 24 24 LEU N N 139 123.003 118.517 4.486 1
1 263 . 4 1 1 A 25 25 SER H H 140 7.698 7.867 -0.169 1
1 264 . 4 1 1 A 25 25 SER HA H 140 4.036 4.086 -0.050 1
1 268 . 4 1 1 A 25 25 SER CA C 140 58.005 59.098 -1.093 1
1 269 . 4 1 1 A 25 25 SER CB C 140 60.796 61.472 -0.676 1
1 270 . 4 1 1 A 25 25 SER N N 140 109.104 115.066 -5.962 1
1 271 . 4 1 1 A 26 26 PRO HA H 141 4.114 4.505 -0.391 1
1 278 . 4 1 1 A 26 26 PRO CA C 141 62.827 62.571 0.256 1
1 279 . 4 1 1 A 26 26 PRO CB C 141 32.650 32.843 -0.193 1
1 282 . 4 1 1 A 27 27 VAL H H 142 8.410 9.375 -0.965 1
1 283 . 4 1 1 A 27 27 VAL HA H 142 4.297 4.515 -0.218 1
1 291 . 4 1 1 A 27 27 VAL CA C 142 61.812 61.300 0.512 1
1 292 . 4 1 1 A 27 27 VAL CB C 142 33.641 32.579 1.062 1
1 295 . 4 1 1 A 27 27 VAL N N 142 120.987 120.725 0.262 1
1 296 . 4 1 1 A 28 28 ASN H H 143 9.694 9.645 0.049 1
1 297 . 4 1 1 A 28 28 ASN HA H 143 4.425 4.591 -0.166 1
1 302 . 4 1 1 A 28 28 ASN CA C 143 54.198 54.769 -0.571 1
1 303 . 4 1 1 A 28 28 ASN CB C 143 37.701 37.250 0.451 1
1 304 . 4 1 1 A 28 28 ASN N N 143 127.946 127.666 0.280 1
1 306 . 4 1 1 A 29 29 GLY H H 144 8.410 8.788 -0.378 1
1 307 . 4 1 1 A 29 29 GLY HA2 H 144 3.582 3.803 -0.221 1
1 308 . 4 1 1 A 29 29 GLY HA3 H 144 3.976 3.957 0.019 1
1 309 . 4 1 1 A 29 29 GLY CA C 144 44.808 45.666 -0.858 1
1 310 . 4 1 1 A 29 29 GLY N N 144 99.790 105.056 -5.266 1
1 311 . 4 1 1 A 30 30 PHE H H 145 7.749 8.249 -0.500 1
1 312 . 4 1 1 A 30 30 PHE HA H 145 5.476 5.482 -0.006 1
1 318 . 4 1 1 A 30 30 PHE CA C 145 56.736 56.932 -0.196 1
1 319 . 4 1 1 A 30 30 PHE CB C 145 44.554 42.760 1.794 1
1 323 . 4 1 1 A 30 30 PHE N N 145 115.206 118.355 -3.149 1
1 324 . 4 1 1 A 31 31 LEU H H 146 9.492 9.250 0.242 1
1 325 . 4 1 1 A 31 31 LEU HA H 146 4.765 5.009 -0.244 1
1 335 . 4 1 1 A 31 31 LEU CA C 146 52.929 53.391 -0.462 1
1 336 . 4 1 1 A 31 31 LEU CB C 146 45.569 44.978 0.591 1
1 340 . 4 1 1 A 31 31 LEU N N 146 121.522 121.474 0.048 1
1 341 . 4 1 1 A 32 32 SER H H 147 7.822 8.586 -0.764 1
1 342 . 4 1 1 A 32 32 SER HA H 147 4.951 5.196 -0.245 1
1 345 . 4 1 1 A 32 32 SER CA C 147 57.243 56.431 0.812 1
1 346 . 4 1 1 A 32 32 SER CB C 147 64.603 66.304 -1.701 1
1 347 . 4 1 1 A 32 32 SER N N 147 116.938 115.560 1.378 1
1 348 . 4 1 1 A 33 33 GLY H H 148 9.072 8.822 0.250 1
1 349 . 4 1 1 A 33 33 GLY HA2 H 148 3.689 3.398 0.291 1
1 350 . 4 1 1 A 33 33 GLY HA3 H 148 3.690 3.606 0.084 1
1 351 . 4 1 1 A 33 33 GLY CA C 148 48.614 47.221 1.393 1
1 352 . 4 1 1 A 33 33 GLY N N 148 109.104 108.637 0.467 1
1 353 . 4 1 1 A 34 34 ASP H H 149 8.600 8.323 0.277 1
1 354 . 4 1 1 A 34 34 ASP HA H 149 4.222 4.214 0.008 1
1 357 . 4 1 1 A 34 34 ASP CA C 149 56.228 56.578 -0.350 1
1 358 . 4 1 1 A 34 34 ASP CB C 149 39.985 39.742 0.243 1
1 359 . 4 1 1 A 34 34 ASP N N 149 117.454 121.015 -3.561 1
1 360 . 4 1 1 A 35 35 LYS H H 150 7.453 7.700 -0.247 1
1 361 . 4 1 1 A 35 35 LYS HA H 150 4.352 4.264 0.088 1
1 370 . 4 1 1 A 35 35 LYS CA C 150 57.497 57.676 -0.179 1
1 371 . 4 1 1 A 35 35 LYS CB C 150 34.402 33.218 1.184 1
1 375 . 4 1 1 A 35 35 LYS N N 150 117.347 118.334 -0.987 1
1 376 . 4 1 1 A 36 36 VAL H H 151 7.691 8.655 -0.964 1
1 377 . 4 1 1 A 36 36 VAL HA H 151 3.979 3.608 0.371 1
1 385 . 4 1 1 A 36 36 VAL CA C 151 65.365 65.519 -0.154 1
1 386 . 4 1 1 A 36 36 VAL CB C 151 33.894 31.206 2.688 1
1 389 . 4 1 1 A 36 36 VAL N N 151 116.919 119.540 -2.621 1
1 390 . 4 1 1 A 37 37 LYS H H 152 8.610 8.453 0.157 1
1 391 . 4 1 1 A 37 37 LYS HA H 152 4.100 4.163 -0.063 1
1 399 . 4 1 1 A 37 37 LYS CA C 152 58.005 61.539 -3.534 1
1 400 . 4 1 1 A 37 37 LYS CB C 152 29.834 30.229 -0.395 1
1 404 . 4 1 1 A 37 37 LYS N N 152 120.916 121.872 -0.956 1
1 405 . 4 1 1 A 38 38 PRO HA H 153 4.248 4.413 -0.165 1
1 412 . 4 1 1 A 38 38 PRO CA C 153 66.380 65.123 1.257 1
1 413 . 4 1 1 A 38 38 PRO CB C 153 31.610 31.315 0.295 1
1 416 . 4 1 1 A 39 39 VAL H H 154 7.059 7.283 -0.224 1
1 417 . 4 1 1 A 39 39 VAL HA H 154 4.100 4.131 -0.031 1
1 425 . 4 1 1 A 39 39 VAL CA C 154 65.872 63.978 1.894 1
1 426 . 4 1 1 A 39 39 VAL CB C 154 32.118 31.989 0.129 1
1 429 . 4 1 1 A 39 39 VAL N N 154 116.812 116.172 0.640 1
1 430 . 4 1 1 A 40 40 LEU H H 155 8.203 7.837 0.366 1
1 431 . 4 1 1 A 40 40 LEU HA H 155 4.206 4.274 -0.068 1
1 441 . 4 1 1 A 40 40 LEU CA C 155 62.070 57.141 4.929 1
1 442 . 4 1 1 A 40 40 LEU CB C 155 42.121 41.895 0.226 1
1 445 . 4 1 1 A 40 40 LEU N N 155 117.561 120.863 -3.302 1
1 446 . 4 1 1 A 41 41 LEU H H 156 8.629 8.863 -0.234 1
1 447 . 4 1 1 A 41 41 LEU HA H 156 4.141 4.267 -0.126 1
1 457 . 4 1 1 A 41 41 LEU CA C 156 58.000 55.048 2.952 1
1 458 . 4 1 1 A 41 41 LEU CB C 156 41.762 40.981 0.781 1
1 462 . 4 1 1 A 42 42 ASN HA H 157 4.785 4.549 0.236 1
1 465 . 4 1 1 A 42 42 ASN CA C 157 54.959 54.739 0.220 1
1 466 . 4 1 1 A 42 42 ASN CB C 157 37.701 37.168 0.533 1
1 467 . 4 1 1 A 43 43 SER H H 158 7.849 7.325 0.524 1
1 468 . 4 1 1 A 43 43 SER HA H 158 3.480 4.737 -1.257 1
1 471 . 4 1 1 A 43 43 SER CA C 158 60.796 55.901 4.895 1
1 472 . 4 1 1 A 43 43 SER CB C 158 64.096 65.555 -1.459 1
1 473 . 4 1 1 A 43 43 SER N N 158 114.778 115.274 -0.496 1
1 474 . 4 1 1 A 44 44 LYS H H 159 7.633 8.646 -1.013 1
1 475 . 4 1 1 A 44 44 LYS HA H 159 3.868 4.292 -0.424 1
1 484 . 4 1 1 A 44 44 LYS CA C 159 58.005 57.017 0.988 1
1 485 . 4 1 1 A 44 44 LYS CB C 159 29.341 32.096 -2.755 1
1 489 . 4 1 1 A 44 44 LYS N N 159 111.031 123.097 -12.066 1
1 490 . 4 1 1 A 45 45 LEU H H 160 7.287 7.250 0.037 1
1 491 . 4 1 1 A 45 45 LEU HA H 160 4.421 4.391 0.030 1
1 501 . 4 1 1 A 45 45 LEU CA C 160 53.183 53.522 -0.339 1
1 502 . 4 1 1 A 45 45 LEU CB C 160 41.508 41.310 0.198 1
1 506 . 4 1 1 A 45 45 LEU N N 160 121.094 123.458 -2.364 1
1 507 . 4 1 1 A 46 46 PRO HA H 161 4.493 4.736 -0.243 1
1 514 . 4 1 1 A 46 46 PRO CA C 161 62.065 61.858 0.207 1
1 515 . 4 1 1 A 46 46 PRO CB C 161 32.879 33.319 -0.440 1
1 518 . 4 1 1 A 47 47 VAL H H 162 8.112 8.676 -0.564 1
1 519 . 4 1 1 A 47 47 VAL HA H 162 3.437 3.735 -0.298 1
1 527 . 4 1 1 A 47 47 VAL CA C 162 66.634 65.138 1.496 1
1 528 . 4 1 1 A 47 47 VAL CB C 162 28.508 31.480 -2.972 1
1 531 . 4 1 1 A 47 47 VAL N N 162 121.522 120.408 1.114 1
1 532 . 4 1 1 A 48 48 ASP H H 163 8.753 8.263 0.490 1
1 533 . 4 1 1 A 48 48 ASP HA H 163 4.582 4.289 0.293 1
1 536 . 4 1 1 A 48 48 ASP CA C 163 56.990 57.712 -0.722 1
1 537 . 4 1 1 A 48 48 ASP CB C 163 40.239 41.396 -1.157 1
1 538 . 4 1 1 A 48 48 ASP N N 163 117.454 120.467 -3.013 1
1 539 . 4 1 1 A 49 49 ILE H H 164 7.051 7.445 -0.394 1
1 540 . 4 1 1 A 49 49 ILE HA H 164 3.802 3.868 -0.066 1
1 550 . 4 1 1 A 49 49 ILE CA C 164 63.081 64.326 -1.245 1
1 551 . 4 1 1 A 49 49 ILE CB C 164 36.940 37.525 -0.585 1
1 555 . 4 1 1 A 49 49 ILE N N 164 119.167 118.151 1.016 1
1 556 . 4 1 1 A 50 50 LEU H H 165 7.626 8.160 -0.534 1
1 557 . 4 1 1 A 50 50 LEU HA H 165 3.447 4.089 -0.642 1
1 567 . 4 1 1 A 50 50 LEU CA C 165 57.751 58.311 -0.560 1
1 568 . 4 1 1 A 50 50 LEU CB C 165 40.239 41.748 -1.509 1
1 572 . 4 1 1 A 50 50 LEU N N 165 119.274 122.478 -3.204 1
1 573 . 4 1 1 A 51 51 GLY H H 166 8.744 8.717 0.027 1
1 574 . 4 1 1 A 51 51 GLY HA2 H 166 3.480 3.789 -0.309 1
1 575 . 4 1 1 A 51 51 GLY HA3 H 166 2.888 3.829 -0.941 1
1 576 . 4 1 1 A 51 51 GLY CA C 166 46.584 47.169 -0.585 1
1 577 . 4 1 1 A 51 51 GLY N N 166 104.501 106.329 -1.828 1
1 578 . 4 1 1 A 52 52 ARG H H 167 7.189 7.914 -0.725 1
1 579 . 4 1 1 A 52 52 ARG HA H 167 3.977 4.204 -0.227 1
1 586 . 4 1 1 A 52 52 ARG CA C 167 59.527 58.762 0.765 1
1 587 . 4 1 1 A 52 52 ARG CB C 167 29.834 29.860 -0.026 1
1 590 . 4 1 1 A 52 52 ARG N N 167 122.700 122.068 0.632 1
1 591 . 4 1 1 A 53 53 VAL H H 168 8.411 8.150 0.261 1
1 592 . 4 1 1 A 53 53 VAL HA H 168 3.390 3.632 -0.242 1
1 600 . 4 1 1 A 53 53 VAL CA C 168 67.395 66.472 0.923 1
1 601 . 4 1 1 A 53 53 VAL CB C 168 31.103 31.692 -0.589 1
1 604 . 4 1 1 A 53 53 VAL N N 168 119.596 118.903 0.693 1
1 605 . 4 1 1 A 54 54 TRP H H 169 8.573 8.388 0.185 1
1 606 . 4 1 1 A 54 54 TRP HA H 169 3.738 4.196 -0.458 1
1 615 . 4 1 1 A 54 54 TRP CA C 169 61.812 61.175 0.637 1
1 616 . 4 1 1 A 54 54 TRP CB C 169 27.550 29.743 -2.193 1
1 622 . 4 1 1 A 54 54 TRP N N 169 121.308 121.578 -0.270 1
1 624 . 4 1 1 A 55 55 GLU H H 170 7.783 8.673 -0.890 1
1 625 . 4 1 1 A 55 55 GLU HA H 170 4.030 4.140 -0.110 1
1 630 . 4 1 1 A 55 55 GLU CA C 170 59.020 59.392 -0.372 1
1 631 . 4 1 1 A 55 55 GLU CB C 170 30.088 28.951 1.137 1
1 633 . 4 1 1 A 55 55 GLU N N 170 116.384 118.069 -1.685 1
1 634 . 4 1 1 A 56 56 LEU H H 171 8.005 7.830 0.175 1
1 635 . 4 1 1 A 56 56 LEU HA H 171 4.003 4.224 -0.221 1
1 645 . 4 1 1 A 56 56 LEU CA C 171 56.736 57.262 -0.526 1
1 646 . 4 1 1 A 56 56 LEU CB C 171 43.539 41.991 1.548 1
1 650 . 4 1 1 A 56 56 LEU N N 171 115.771 121.934 -6.163 1
1 651 . 4 1 1 A 57 57 SER H H 172 7.501 8.653 -1.152 1
1 652 . 4 1 1 A 57 57 SER HA H 172 4.154 4.363 -0.209 1
1 655 . 4 1 1 A 57 57 SER CA C 172 61.812 60.706 1.106 1
1 656 . 4 1 1 A 57 57 SER CB C 172 63.588 63.467 0.121 1
1 657 . 4 1 1 A 57 57 SER N N 172 112.209 113.869 -1.660 1
1 658 . 4 1 1 A 58 58 ASP H H 173 7.592 7.602 -0.010 1
1 659 . 4 1 1 A 58 58 ASP HA H 173 4.550 4.399 0.151 1
1 662 . 4 1 1 A 58 58 ASP CA C 173 51.914 53.164 -1.250 1
1 663 . 4 1 1 A 58 58 ASP CB C 173 36.940 39.524 -2.584 1
1 664 . 4 1 1 A 58 58 ASP N N 173 117.133 120.104 -2.971 1
1 665 . 4 1 1 A 59 59 ILE H H 174 8.078 7.792 0.286 1
1 666 . 4 1 1 A 59 59 ILE HA H 174 3.354 3.724 -0.370 1
1 676 . 4 1 1 A 59 59 ILE CA C 174 64.857 65.105 -0.248 1
1 677 . 4 1 1 A 59 59 ILE CB C 174 39.985 37.828 2.157 1
1 681 . 4 1 1 A 59 59 ILE N N 174 128.160 125.301 2.859 1
1 682 . 4 1 1 A 60 60 ASP H H 175 7.795 8.024 -0.229 1
1 683 . 4 1 1 A 60 60 ASP HA H 175 4.361 4.605 -0.244 1
1 686 . 4 1 1 A 60 60 ASP CA C 175 52.167 53.180 -1.013 1
1 687 . 4 1 1 A 60 60 ASP CB C 175 39.732 40.326 -0.594 1
1 688 . 4 1 1 A 60 60 ASP N N 175 113.493 117.315 -3.822 1
1 689 . 4 1 1 A 61 61 HIS H H 176 7.521 7.816 -0.295 1
1 690 . 4 1 1 A 61 61 HIS HA H 176 4.236 4.791 -0.555 1
1 694 . 4 1 1 A 61 61 HIS CA C 176 56.228 56.688 -0.460 1
1 695 . 4 1 1 A 61 61 HIS CB C 176 26.534 26.756 -0.222 1
1 697 . 4 1 1 A 61 61 HIS N N 176 112.637 114.079 -1.442 1
1 698 . 4 1 1 A 62 62 ASP H H 177 8.547 8.017 0.530 1
1 699 . 4 1 1 A 62 62 ASP HA H 177 4.769 4.467 0.302 1
1 702 . 4 1 1 A 62 62 ASP CA C 177 53.436 53.466 -0.030 1
1 703 . 4 1 1 A 62 62 ASP CB C 177 40.747 40.186 0.561 1
1 704 . 4 1 1 A 62 62 ASP N N 177 118.739 119.026 -0.287 1
1 705 . 4 1 1 A 63 63 GLY H H 178 10.793 9.083 1.710 1
1 706 . 4 1 1 A 63 63 GLY HA2 H 178 4.398 4.049 0.349 1
1 707 . 4 1 1 A 63 63 GLY HA3 H 178 3.946 4.192 -0.246 1
1 708 . 4 1 1 A 63 63 GLY CA C 178 46.330 45.672 0.658 1
1 709 . 4 1 1 A 63 63 GLY N N 178 112.958 111.131 1.827 1
1 710 . 4 1 1 A 64 64 MET H H 179 8.337 7.880 0.457 1
1 711 . 4 1 1 A 64 64 MET HA H 179 5.360 5.311 0.049 1
1 719 . 4 1 1 A 64 64 MET CA C 179 52.929 54.340 -1.411 1
1 720 . 4 1 1 A 64 64 MET CB C 179 36.432 38.254 -1.822 1
1 722 . 4 1 1 A 64 64 MET N N 179 118.525 119.324 -0.799 1
1 723 . 4 1 1 A 65 65 LEU H H 180 9.471 9.591 -0.120 1
1 724 . 4 1 1 A 65 65 LEU HA H 180 5.838 5.036 0.802 1
1 734 . 4 1 1 A 65 65 LEU CA C 180 53.436 53.586 -0.150 1
1 735 . 4 1 1 A 65 65 LEU CB C 180 43.285 43.300 -0.015 1
1 739 . 4 1 1 A 65 65 LEU N N 180 120.987 121.948 -0.961 1
1 740 . 4 1 1 A 66 66 ASP H H 181 9.203 8.913 0.290 1
1 741 . 4 1 1 A 66 66 ASP HA H 181 5.378 4.353 1.025 1
1 744 . 4 1 1 A 66 66 ASP CA C 181 51.914 52.936 -1.022 1
1 745 . 4 1 1 A 66 66 ASP CB C 181 40.493 41.243 -0.750 1
1 746 . 4 1 1 A 66 66 ASP N N 181 124.306 125.386 -1.080 1
1 747 . 4 1 1 A 67 67 ARG H H 182 8.130 8.467 -0.337 1
1 748 . 4 1 1 A 67 67 ARG HA H 182 2.758 3.062 -0.304 1
1 755 . 4 1 1 A 67 67 ARG CA C 182 60.543 59.654 0.889 1
1 756 . 4 1 1 A 67 67 ARG CB C 182 30.595 29.639 0.956 1
1 759 . 4 1 1 A 67 67 ARG N N 182 117.454 125.646 -8.192 1
1 760 . 4 1 1 A 68 68 ASP H H 183 7.871 8.341 -0.470 1
1 761 . 4 1 1 A 68 68 ASP HA H 183 4.748 4.675 0.073 1
1 764 . 4 1 1 A 68 68 ASP CA C 183 57.497 56.901 0.596 1
1 765 . 4 1 1 A 68 68 ASP CB C 183 40.747 40.376 0.371 1
1 766 . 4 1 1 A 68 68 ASP N N 183 119.703 119.427 0.276 1
1 767 . 4 1 1 A 69 69 GLU H H 184 8.775 8.191 0.584 1
1 768 . 4 1 1 A 69 69 GLU HA H 184 3.975 4.118 -0.143 1
1 773 . 4 1 1 A 69 69 GLU CA C 184 59.781 59.509 0.272 1
1 774 . 4 1 1 A 69 69 GLU CB C 184 31.762 29.587 2.175 1
1 776 . 4 1 1 A 69 69 GLU N N 184 120.987 121.112 -0.125 1
1 777 . 4 1 1 A 70 70 PHE H H 185 9.331 9.020 0.311 1
1 778 . 4 1 1 A 70 70 PHE HA H 185 4.198 4.171 0.027 1
1 784 . 4 1 1 A 70 70 PHE CA C 185 61.812 61.642 0.170 1
1 785 . 4 1 1 A 70 70 PHE CB C 185 39.957 38.986 0.971 1
1 788 . 4 1 1 A 70 70 PHE N N 185 118.632 121.850 -3.218 1
1 789 . 4 1 1 A 71 71 ALA H H 186 7.622 8.288 -0.666 1
1 790 . 4 1 1 A 71 71 ALA HA H 186 3.991 4.035 -0.044 1
1 794 . 4 1 1 A 71 71 ALA CA C 186 55.213 55.192 0.021 1
1 795 . 4 1 1 A 71 71 ALA CB C 186 18.921 18.149 0.772 1
1 796 . 4 1 1 A 71 71 ALA N N 186 120.131 121.293 -1.162 1
1 797 . 4 1 1 A 72 72 VAL H H 187 7.670 8.054 -0.384 1
1 798 . 4 1 1 A 72 72 VAL HA H 187 3.438 3.380 0.058 1
1 806 . 4 1 1 A 72 72 VAL CA C 187 67.617 66.642 0.975 1
1 807 . 4 1 1 A 72 72 VAL CB C 187 31.357 31.699 -0.342 1
1 810 . 4 1 1 A 72 72 VAL N N 187 117.776 118.843 -1.067 1
1 811 . 4 1 1 A 73 73 ALA H H 188 8.040 8.155 -0.115 1
1 812 . 4 1 1 A 73 73 ALA HA H 188 3.892 4.328 -0.436 1
1 816 . 4 1 1 A 73 73 ALA CA C 188 55.974 55.552 0.422 1
1 817 . 4 1 1 A 73 73 ALA CB C 188 16.637 18.568 -1.931 1
1 818 . 4 1 1 A 73 73 ALA N N 188 122.058 121.810 0.248 1
1 819 . 4 1 1 A 74 74 MET H H 189 7.908 8.123 -0.215 1
1 820 . 4 1 1 A 74 74 MET HA H 189 3.900 3.877 0.023 1
1 828 . 4 1 1 A 74 74 MET CA C 189 55.974 58.184 -2.210 1
1 829 . 4 1 1 A 74 74 MET CB C 189 29.072 31.127 -2.055 1
1 832 . 4 1 1 A 74 74 MET N N 189 114.029 116.906 -2.877 1
1 833 . 4 1 1 A 75 75 PHE H H 190 8.298 7.821 0.477 1
1 834 . 4 1 1 A 75 75 PHE HA H 190 4.245 4.344 -0.099 1
1 840 . 4 1 1 A 75 75 PHE CA C 190 61.812 61.303 0.509 1
1 841 . 4 1 1 A 75 75 PHE CB C 190 39.732 39.217 0.515 1
1 844 . 4 1 1 A 75 75 PHE N N 190 121.174 122.041 -0.867 1
1 845 . 4 1 1 A 76 76 LEU H H 191 8.761 8.023 0.738 1
1 846 . 4 1 1 A 76 76 LEU HA H 191 3.987 3.938 0.049 1
1 856 . 4 1 1 A 76 76 LEU CA C 191 58.005 57.450 0.555 1
1 857 . 4 1 1 A 76 76 LEU CB C 191 43.792 41.380 2.412 1
1 859 . 4 1 1 A 76 76 LEU N N 191 119.596 119.526 0.070 1
1 860 . 4 1 1 A 77 77 VAL H H 192 8.392 7.719 0.673 1
1 861 . 4 1 1 A 77 77 VAL HA H 192 3.205 3.527 -0.322 1
1 869 . 4 1 1 A 77 77 VAL CA C 192 67.395 66.113 1.282 1
1 870 . 4 1 1 A 77 77 VAL CB C 192 30.595 31.730 -1.135 1
1 873 . 4 1 1 A 77 77 VAL N N 192 120.773 119.286 1.487 1
1 874 . 4 1 1 A 78 78 TYR H H 193 8.617 8.053 0.564 1
1 875 . 4 1 1 A 78 78 TYR HA H 193 3.916 4.367 -0.451 1
1 880 . 4 1 1 A 78 78 TYR CA C 193 64.350 60.186 4.164 1
1 881 . 4 1 1 A 78 78 TYR CB C 193 36.940 37.291 -0.351 1
1 884 . 4 1 1 A 78 78 TYR N N 193 118.418 118.416 0.002 1
1 885 . 4 1 1 A 79 79 CYS H H 194 7.979 7.842 0.137 1
1 886 . 4 1 1 A 79 79 CYS HA H 194 3.980 3.853 0.127 1
1 889 . 4 1 1 A 79 79 CYS CA C 194 63.842 62.115 1.727 1
1 890 . 4 1 1 A 79 79 CYS CB C 194 25.773 26.789 -1.016 1
1 891 . 4 1 1 A 79 79 CYS N N 194 117.133 118.314 -1.181 1
1 892 . 4 1 1 A 80 80 ALA H H 195 7.979 7.388 0.591 1
1 893 . 4 1 1 A 80 80 ALA HA H 195 4.372 4.080 0.292 1
1 897 . 4 1 1 A 80 80 ALA CA C 195 54.959 55.010 -0.051 1
1 898 . 4 1 1 A 80 80 ALA CB C 195 17.906 18.211 -0.305 1
1 899 . 4 1 1 A 80 80 ALA N N 195 123.128 122.795 0.333 1
1 900 . 4 1 1 A 81 81 LEU H H 196 8.620 7.886 0.734 1
1 901 . 4 1 1 A 81 81 LEU HA H 196 3.957 3.982 -0.025 1
1 911 . 4 1 1 A 81 81 LEU CA C 196 57.497 57.712 -0.215 1
1 912 . 4 1 1 A 81 81 LEU CB C 196 40.747 41.196 -0.449 1
1 916 . 4 1 1 A 81 81 LEU N N 196 123.021 118.834 4.187 1
1 917 . 4 1 1 A 82 82 GLU H H 197 7.483 8.251 -0.768 1
1 918 . 4 1 1 A 82 82 GLU HA H 197 4.497 4.353 0.144 1
1 923 . 4 1 1 A 82 82 GLU CA C 197 56.418 58.045 -1.627 1
1 924 . 4 1 1 A 82 82 GLU CB C 197 28.819 30.160 -1.341 1
1 926 . 4 1 1 A 82 82 GLU N N 197 118.311 120.204 -1.893 1
1 927 . 4 1 1 A 83 83 LYS H H 198 7.832 7.725 0.107 1
1 928 . 4 1 1 A 83 83 LYS HA H 198 3.805 3.843 -0.038 1
1 937 . 4 1 1 A 83 83 LYS CA C 198 57.497 57.347 0.150 1
1 938 . 4 1 1 A 83 83 LYS CB C 198 28.057 28.899 -0.842 1
1 942 . 4 1 1 A 83 83 LYS N N 198 111.674 117.425 -5.751 1
1 943 . 4 1 1 A 84 84 GLU H H 199 8.098 7.962 0.136 1
1 944 . 4 1 1 A 84 84 GLU HA H 199 4.635 4.657 -0.022 1
1 949 . 4 1 1 A 84 84 GLU CA C 199 53.944 53.523 0.421 1
1 950 . 4 1 1 A 84 84 GLU CB C 199 29.580 30.642 -1.062 1
1 952 . 4 1 1 A 84 84 GLU N N 199 121.737 119.849 1.888 1
1 953 . 4 1 1 A 85 85 PRO HA H 200 4.344 4.418 -0.074 1
1 960 . 4 1 1 A 85 85 PRO CA C 200 62.065 63.151 -1.086 1
1 961 . 4 1 1 A 85 85 PRO CB C 200 32.118 32.103 0.015 1
1 964 . 4 1 1 A 86 86 VAL H H 201 8.534 8.413 0.121 1
1 965 . 4 1 1 A 86 86 VAL HA H 201 4.275 4.497 -0.222 1
1 973 . 4 1 1 A 86 86 VAL CA C 201 60.035 59.177 0.858 1
1 974 . 4 1 1 A 86 86 VAL CB C 201 32.118 32.255 -0.137 1
1 977 . 4 1 1 A 86 86 VAL N N 201 125.055 123.235 1.820 1
1 978 . 4 1 1 A 87 87 PRO HA H 202 4.571 4.720 -0.149 1
1 985 . 4 1 1 A 87 87 PRO CA C 202 62.827 62.888 -0.061 1
1 986 . 4 1 1 A 87 87 PRO CB C 202 32.879 32.936 -0.057 1
1 989 . 4 1 1 A 88 88 MET H H 203 8.536 8.308 0.228 1
1 990 . 4 1 1 A 88 88 MET HA H 203 4.437 4.579 -0.142 1
1 998 . 4 1 1 A 88 88 MET CA C 203 55.974 55.149 0.825 1
1 999 . 4 1 1 A 88 88 MET CB C 203 32.372 33.060 -0.688 1
1 1001 . 4 1 1 A 88 88 MET N N 203 114.671 117.208 -2.537 1
1 1002 . 4 1 1 A 89 89 SER H H 204 7.588 7.684 -0.096 1
1 1003 . 4 1 1 A 89 89 SER HA H 204 4.482 4.960 -0.478 1
1 1006 . 4 1 1 A 89 89 SER CA C 204 56.482 55.688 0.794 1
1 1007 . 4 1 1 A 89 89 SER CB C 204 65.111 65.856 -0.745 1
1 1008 . 4 1 1 A 89 89 SER N N 204 110.603 112.543 -1.940 1
1 1009 . 4 1 1 A 90 90 LEU H H 205 9.188 8.401 0.787 1
1 1010 . 4 1 1 A 90 90 LEU HA H 205 4.314 4.417 -0.103 1
1 1020 . 4 1 1 A 90 90 LEU CA C 205 53.436 53.248 0.188 1
1 1021 . 4 1 1 A 90 90 LEU CB C 205 41.785 42.807 -1.022 1
1 1024 . 4 1 1 A 90 90 LEU N N 205 124.627 126.367 -1.740 1
1 1025 . 4 1 1 A 91 91 PRO HA H 206 4.794 4.796 -0.002 1
1 1032 . 4 1 1 A 91 91 PRO CA C 206 61.304 62.063 -0.759 1
1 1033 . 4 1 1 A 91 91 PRO CB C 206 31.116 31.747 -0.631 1
1 1036 . 4 1 1 A 92 92 PRO HA H 207 4.221 4.338 -0.117 1
1 1043 . 4 1 1 A 92 92 PRO CA C 207 66.057 64.852 1.205 1
1 1044 . 4 1 1 A 92 92 PRO CB C 207 31.889 31.803 0.086 1
1 1047 . 4 1 1 A 93 93 ALA H H 208 8.509 8.187 0.322 1
1 1048 . 4 1 1 A 93 93 ALA HA H 208 4.181 4.161 0.020 1
1 1052 . 4 1 1 A 93 93 ALA CA C 208 54.198 54.395 -0.197 1
1 1053 . 4 1 1 A 93 93 ALA CB C 208 18.413 18.463 -0.050 1
1 1054 . 4 1 1 A 93 93 ALA N N 208 115.742 120.205 -4.463 1
1 1055 . 4 1 1 A 94 94 LEU H H 209 8.225 7.956 0.269 1
1 1056 . 4 1 1 A 94 94 LEU HA H 209 4.341 4.666 -0.325 1
1 1066 . 4 1 1 A 94 94 LEU CA C 209 54.452 53.850 0.602 1
1 1067 . 4 1 1 A 94 94 LEU CB C 209 43.285 42.139 1.146 1
1 1071 . 4 1 1 A 94 94 LEU N N 209 118.204 111.036 7.168 1
1 1072 . 4 1 1 A 95 95 VAL H H 210 7.400 7.607 -0.207 1
1 1073 . 4 1 1 A 95 95 VAL HA H 210 3.762 4.527 -0.765 1
1 1081 . 4 1 1 A 95 95 VAL CA C 210 61.812 60.282 1.530 1
1 1082 . 4 1 1 A 95 95 VAL CB C 210 32.118 32.631 -0.513 1
1 1085 . 4 1 1 A 95 95 VAL N N 210 123.021 121.281 1.740 1
1 1089 . 4 1 1 A 97 97 PRO HA H 212 3.641 4.157 -0.516 1
1 1096 . 4 1 1 A 97 97 PRO CA C 212 66.126 65.319 0.807 1
1 1097 . 4 1 1 A 97 97 PRO CB C 212 31.864 31.805 0.059 1
1 1100 . 4 1 1 A 98 98 SER H H 213 8.243 7.961 0.282 1
1 1101 . 4 1 1 A 98 98 SER HA H 213 4.124 4.073 0.051 1
1 1104 . 4 1 1 A 98 98 SER CA C 213 59.781 61.291 -1.510 1
1 1105 . 4 1 1 A 98 98 SER CB C 213 62.573 63.017 -0.444 1
1 1106 . 4 1 1 A 98 98 SER N N 213 110.924 112.228 -1.304 1
1 1107 . 4 1 1 A 99 99 LYS H H 214 8.125 7.794 0.331 1
1 1108 . 4 1 1 A 99 99 LYS HA H 214 4.563 4.358 0.205 1
1 1117 . 4 1 1 A 99 99 LYS CA C 214 54.198 55.827 -1.629 1
1 1118 . 4 1 1 A 99 99 LYS CB C 214 32.879 32.433 0.446 1
1 1122 . 4 1 1 A 99 99 LYS N N 214 120.024 117.508 2.516 1
1 1180 . 4 2 2 B 7 7 SER HA H 302 4.483 3.978 0.505 1
1 1183 . 4 2 2 B 7 7 SER CA C 302 58.429 58.898 -0.469 1
1 1184 . 4 2 2 B 7 7 SER CB C 302 63.758 61.542 2.216 1
1 1185 . 4 2 2 B 8 8 VAL H H 303 8.238 7.874 0.364 1
1 1186 . 4 2 2 B 8 8 VAL HA H 303 4.252 4.401 -0.149 1
1 1194 . 4 2 2 B 8 8 VAL CA C 303 62.311 63.767 -1.456 1
1 1195 . 4 2 2 B 8 8 VAL CB C 303 32.824 33.973 -1.149 1
1 1198 . 4 2 2 B 8 8 VAL N N 303 121.875 119.246 2.629 1
1 1199 . 4 2 2 B 9 9 THR H H 304 8.221 8.089 0.132 1
1 1200 . 4 2 2 B 9 9 THR HA H 304 4.369 3.967 0.402 1
1 1205 . 4 2 2 B 9 9 THR CA C 304 61.795 62.825 -1.030 1
1 1206 . 4 2 2 B 9 9 THR CB C 304 69.666 66.614 3.052 1
1 1208 . 4 2 2 B 9 9 THR N N 304 117.435 114.617 2.818 1
1 1209 . 4 2 2 B 10 10 GLU H H 305 8.342 7.747 0.595 1
1 1210 . 4 2 2 B 10 10 GLU HA H 305 4.292 4.624 -0.332 1
1 1215 . 4 2 2 B 10 10 GLU CA C 305 56.488 56.380 0.108 1
1 1216 . 4 2 2 B 10 10 GLU CB C 305 30.344 33.534 -3.190 1
1 1218 . 4 2 2 B 10 10 GLU N N 305 123.467 119.159 4.308 1
1 1219 . 4 2 2 B 11 11 ALA H H 306 8.299 8.334 -0.035 1
1 1220 . 4 2 2 B 11 11 ALA HA H 306 4.330 4.600 -0.270 1
1 1224 . 4 2 2 B 11 11 ALA CA C 306 52.164 51.044 1.120 1
1 1225 . 4 2 2 B 11 11 ALA CB C 306 19.377 19.888 -0.511 1
1 1226 . 4 2 2 B 11 11 ALA N N 306 124.975 128.649 -3.674 1
1 1227 . 4 2 2 B 12 12 SER H H 307 8.304 8.211 0.093 1
1 1228 . 4 2 2 B 12 12 SER HA H 307 4.628 4.317 0.311 1
1 1231 . 4 2 2 B 12 12 SER CA C 307 56.214 59.036 -2.822 1
1 1232 . 4 2 2 B 12 12 SER CB C 307 63.419 60.852 2.567 1
1 1233 . 4 2 2 B 12 12 SER N N 307 116.597 112.170 4.427 1
1 1234 . 4 2 2 B 13 13 PRO HA H 308 4.395 4.421 -0.026 1
1 1241 . 4 2 2 B 13 13 PRO CA C 308 63.060 63.738 -0.678 1
1 1242 . 4 2 2 B 13 13 PRO CB C 308 31.844 31.309 0.535 1
1 1245 . 4 2 2 B 14 14 TRP H H 309 8.038 7.931 0.107 1
1 1246 . 4 2 2 B 14 14 TRP HA H 309 4.930 5.010 -0.080 1
1 1255 . 4 2 2 B 14 14 TRP CA C 309 54.944 56.229 -1.285 1
1 1256 . 4 2 2 B 14 14 TRP CB C 309 30.324 33.303 -2.979 1
1 1262 . 4 2 2 B 14 14 TRP N N 309 121.372 122.039 -0.667 1
1 1264 . 4 2 2 B 15 15 ARG H H 310 8.827 9.350 -0.523 1
1 1265 . 4 2 2 B 15 15 ARG HA H 310 4.336 4.491 -0.155 1
1 1272 . 4 2 2 B 15 15 ARG CA C 310 56.617 55.670 0.947 1
1 1273 . 4 2 2 B 15 15 ARG CB C 310 31.336 30.135 1.201 1
1 1276 . 4 2 2 B 15 15 ARG N N 310 122.043 120.836 1.207 1
1 1277 . 4 2 2 B 16 16 ALA H H 311 8.551 8.183 0.368 1
1 1278 . 4 2 2 B 16 16 ALA HA H 311 4.140 4.032 0.108 1
1 1282 . 4 2 2 B 16 16 ALA CA C 311 54.460 54.350 0.110 1
1 1283 . 4 2 2 B 16 16 ALA CB C 311 18.884 18.135 0.749 1
1 1284 . 4 2 2 B 16 16 ALA N N 311 120.702 120.256 0.446 1
1 1285 . 4 2 2 B 17 17 THR H H 312 7.286 8.608 -1.322 1
1 1286 . 4 2 2 B 17 17 THR HA H 312 4.219 4.161 0.058 1
1 1291 . 4 2 2 B 17 17 THR CA C 312 60.544 63.472 -2.928 1
1 1292 . 4 2 2 B 17 17 THR CB C 312 68.647 66.846 1.801 1
1 1294 . 4 2 2 B 17 17 THR N N 312 124.807 113.713 11.094 1
1 1295 . 4 2 2 B 18 18 ASN H H 313 7.918 7.888 0.030 1
1 1296 . 4 2 2 B 18 18 ASN HA H 313 4.269 5.123 -0.854 1
1 1301 . 4 2 2 B 18 18 ASN CA C 313 50.640 49.674 0.966 1
1 1302 . 4 2 2 B 18 18 ASN CB C 313 39.462 40.291 -0.829 1
1 1303 . 4 2 2 B 18 18 ASN N N 313 123.467 120.956 2.511 1
1 1305 . 4 2 2 B 19 19 PRO HA H 314 4.135 4.429 -0.294 1
1 1312 . 4 2 2 B 19 19 PRO CA C 314 63.314 63.664 -0.350 1
1 1313 . 4 2 2 B 19 19 PRO CB C 314 31.336 32.441 -1.105 1
1 1316 . 4 2 2 B 20 20 PHE H H 315 8.568 7.933 0.635 1
1 1317 . 4 2 2 B 20 20 PHE HA H 315 4.144 4.590 -0.446 1
1 1323 . 4 2 2 B 20 20 PHE CA C 315 59.513 57.667 1.846 1
1 1324 . 4 2 2 B 20 20 PHE CB C 315 37.658 40.394 -2.736 1
1 1328 . 4 2 2 B 20 20 PHE N N 315 116.848 119.123 -2.275 1
1 1329 . 4 2 2 B 21 21 LEU H H 316 7.332 8.022 -0.690 1
1 1330 . 4 2 2 B 21 21 LEU HA H 316 4.393 4.154 0.239 1
1 1340 . 4 2 2 B 21 21 LEU CA C 316 55.961 57.237 -1.276 1
1 1341 . 4 2 2 B 21 21 LEU CB C 316 43.017 41.525 1.492 1
1 1345 . 4 2 2 B 21 21 LEU N N 316 120.283 117.692 2.591 1
1 1346 . 4 2 2 B 22 22 ASN H H 317 8.010 8.266 -0.256 1
1 1347 . 4 2 2 B 22 22 ASN HA H 317 4.613 4.802 -0.189 1
1 1352 . 4 2 2 B 22 22 ASN CA C 317 53.224 52.277 0.947 1
1 1353 . 4 2 2 B 22 22 ASN CB C 317 38.714 37.616 1.098 1
1 1354 . 4 2 2 B 22 22 ASN N N 317 117.602 117.871 -0.269 1
1 1356 . 4 2 2 B 23 23 GLU H H 318 8.344 8.370 -0.026 1
1 1357 . 4 2 2 B 23 23 GLU HA H 318 4.373 4.103 0.270 1
1 1362 . 4 2 2 B 23 23 GLU CA C 318 56.974 58.839 -1.865 1
1 1363 . 4 2 2 B 23 23 GLU CB C 318 30.323 28.047 2.276 1
1 1365 . 4 2 2 B 23 23 GLU N N 318 121.523 119.453 2.070 1
1 1366 . 4 2 2 B 24 24 THR H H 319 8.295 8.016 0.279 1
1 1367 . 4 2 2 B 24 24 THR HA H 319 4.398 4.077 0.321 1
1 1372 . 4 2 2 B 24 24 THR CA C 319 61.940 65.743 -3.803 1
1 1373 . 4 2 2 B 24 24 THR CB C 319 70.138 68.245 1.893 1
1 1375 . 4 2 2 B 24 24 THR N N 319 115.089 112.854 2.235 1
1 1376 . 4 2 2 B 25 25 LEU H H 320 8.639 7.725 0.914 1
1 1377 . 4 2 2 B 25 25 LEU HA H 320 4.237 4.312 -0.075 1
1 1387 . 4 2 2 B 25 25 LEU CA C 320 55.196 54.268 0.928 1
1 1388 . 4 2 2 B 25 25 LEU CB C 320 40.733 41.620 -0.887 1
1 1392 . 4 2 2 B 25 25 LEU N N 320 122.143 117.669 4.474 1
1 1393 . 4 2 2 B 26 26 GLN H H 321 8.121 7.958 0.163 1
1 1394 . 4 2 2 B 26 26 GLN HA H 321 4.217 4.436 -0.219 1
1 1401 . 4 2 2 B 26 26 GLN CA C 321 56.987 58.097 -1.110 1
1 1402 . 4 2 2 B 26 26 GLN CB C 321 29.309 27.839 1.470 1
1 1404 . 4 2 2 B 26 26 GLN N N 321 119.864 115.693 4.171 1
1 1406 . 4 2 2 B 27 27 ASP H H 322 8.489 8.407 0.082 1
1 1407 . 4 2 2 B 27 27 ASP HA H 322 4.656 5.126 -0.470 1
1 1410 . 4 2 2 B 27 27 ASP CA C 322 54.170 53.680 0.490 1
1 1411 . 4 2 2 B 27 27 ASP CB C 322 40.758 45.195 -4.437 1
1 1412 . 4 2 2 B 27 27 ASP N N 322 119.864 123.365 -3.501 1
1 1413 . 4 2 2 B 28 28 VAL H H 323 7.588 8.567 -0.979 1
1 1414 . 4 2 2 B 28 28 VAL HA H 323 4.094 4.539 -0.445 1
1 1422 . 4 2 2 B 28 28 VAL CA C 323 61.797 61.725 0.072 1
1 1423 . 4 2 2 B 28 28 VAL CB C 323 32.915 33.013 -0.098 1
1 1426 . 4 2 2 B 28 28 VAL N N 323 119.446 123.992 -4.546 1
1 1427 . 4 2 2 B 29 29 GLN H H 324 8.451 8.167 0.284 1
1 1428 . 4 2 2 B 29 29 GLN HA H 324 4.633 4.994 -0.361 1
1 1435 . 4 2 2 B 29 29 GLN CA C 324 53.138 53.453 -0.315 1
1 1436 . 4 2 2 B 29 29 GLN CB C 324 28.795 29.591 -0.796 1
1 1438 . 4 2 2 B 29 29 GLN N N 324 125.897 125.434 0.463 1
1 1440 . 4 2 2 B 30 30 PRO HA H 325 4.486 4.862 -0.376 1
1 1447 . 4 2 2 B 30 30 PRO CA C 325 62.553 62.211 0.342 1
1 1448 . 4 2 2 B 30 30 PRO CB C 325 32.316 30.328 1.988 1
1 1451 . 4 2 2 B 31 31 SER H H 326 7.858 8.507 -0.649 1
1 1452 . 4 2 2 B 31 31 SER HA H 326 4.734 4.494 0.240 1
1 1455 . 4 2 2 B 31 31 SER CA C 326 55.447 57.864 -2.417 1
1 1456 . 4 2 2 B 31 31 SER CB C 326 63.822 62.986 0.836 1
1 1457 . 4 2 2 B 31 31 SER N N 326 115.759 119.907 -4.148 1
1 1458 . 4 2 2 B 32 32 PRO HA H 327 4.554 4.518 0.036 1
1 1465 . 4 2 2 B 32 32 PRO CA C 327 64.076 63.684 0.392 1
1 1466 . 4 2 2 B 32 32 PRO CB C 327 32.098 31.593 0.505 1
1 1469 . 4 2 2 B 33 33 ILE H H 328 8.233 7.979 0.254 1
1 1470 . 4 2 2 B 33 33 ILE HA H 328 3.829 4.222 -0.393 1
1 1480 . 4 2 2 B 33 33 ILE CA C 328 58.518 61.231 -2.713 1
1 1481 . 4 2 2 B 33 33 ILE CB C 328 36.419 37.537 -1.118 1
1 1485 . 4 2 2 B 33 33 ILE N N 328 121.037 119.442 1.595 1
1 1486 . 4 2 2 B 34 34 ASN H H 329 8.672 7.539 1.133 1
1 1487 . 4 2 2 B 34 34 ASN HA H 329 5.225 4.736 0.489 1
1 1492 . 4 2 2 B 34 34 ASN CA C 329 49.359 51.370 -2.011 1
1 1493 . 4 2 2 B 34 34 ASN CB C 329 38.952 38.301 0.651 1
1 1494 . 4 2 2 B 34 34 ASN N N 329 121.624 121.283 0.341 1
1 1496 . 4 2 2 B 35 35 PRO HA H 330 4.509 4.347 0.162 1
1 1503 . 4 2 2 B 35 35 PRO CA C 330 62.553 63.968 -1.415 1
1 1504 . 4 2 2 B 35 35 PRO CB C 330 31.844 31.320 0.524 1
1 1507 . 4 2 2 B 36 36 PHE H H 331 7.738 7.676 0.062 1
1 1508 . 4 2 2 B 36 36 PHE HA H 331 4.836 4.446 0.390 1
1 1514 . 4 2 2 B 36 36 PHE CA C 331 56.981 57.072 -0.091 1
1 1515 . 4 2 2 B 36 36 PHE CB C 331 39.210 38.346 0.864 1
1 1519 . 4 2 2 B 36 36 PHE N N 331 116.513 115.747 0.766 1
1 1520 . 4 2 2 B 37 37 SER H H 332 7.221 7.910 -0.689 1
1 1521 . 4 2 2 B 37 37 SER HA H 332 4.273 4.112 0.161 1
1 1524 . 4 2 2 B 37 37 SER CA C 332 61.794 61.783 0.011 1
1 1525 . 4 2 2 B 37 37 SER CB C 332 62.810 63.012 -0.202 1
1 1526 . 4 2 2 B 37 37 SER N N 332 115.256 116.812 -1.556 1
1 1527 . 4 2 2 B 38 38 ALA H H 333 8.551 7.710 0.841 1
1 1528 . 4 2 2 B 38 38 ALA HA H 333 4.308 4.238 0.070 1
1 1532 . 4 2 2 B 38 38 ALA CA C 333 54.464 54.620 -0.156 1
1 1533 . 4 2 2 B 38 38 ALA CB C 333 18.148 18.290 -0.142 1
1 1534 . 4 2 2 B 38 38 ALA N N 333 123.216 123.427 -0.211 1
1 1535 . 4 2 2 B 39 39 PHE H H 334 7.842 8.033 -0.191 1
1 1536 . 4 2 2 B 39 39 PHE HA H 334 4.165 4.087 0.078 1
1 1542 . 4 2 2 B 39 39 PHE CA C 334 60.541 61.538 -0.997 1
1 1543 . 4 2 2 B 39 39 PHE CB C 334 38.703 39.250 -0.547 1
1 1547 . 4 2 2 B 39 39 PHE N N 334 117.602 120.106 -2.504 1
1 1548 . 4 2 2 B 40 40 PHE H H 335 7.668 7.914 -0.246 1
1 1549 . 4 2 2 B 40 40 PHE HA H 335 4.626 4.386 0.240 1
1 1555 . 4 2 2 B 40 40 PHE CA C 335 58.997 61.973 -2.976 1
1 1556 . 4 2 2 B 40 40 PHE CB C 335 39.427 37.919 1.508 1
1 1560 . 4 2 2 B 40 40 PHE N N 335 117.267 115.691 1.576 1
1 1561 . 4 2 2 B 41 41 GLU H H 336 8.105 8.115 -0.010 1
1 1562 . 4 2 2 B 41 41 GLU HA H 336 4.263 4.231 0.032 1
1 1567 . 4 2 2 B 41 41 GLU CA C 336 57.653 58.977 -1.324 1
1 1568 . 4 2 2 B 41 41 GLU CB C 336 30.320 29.820 0.500 1
1 1570 . 4 2 2 B 41 41 GLU N N 336 120.426 121.394 -0.968 1
1 1571 . 4 2 2 B 42 42 GLU H H 337 8.140 7.811 0.329 1
1 1572 . 4 2 2 B 42 42 GLU HA H 337 4.259 4.637 -0.378 1
1 1577 . 4 2 2 B 42 42 GLU CA C 337 56.969 55.164 1.805 1
1 1578 . 4 2 2 B 42 42 GLU CB C 337 30.018 30.401 -0.383 1
1 1580 . 4 2 2 B 42 42 GLU N N 337 120.291 119.143 1.148 1
1 1581 . 4 2 2 B 43 43 GLN H H 338 8.058 8.136 -0.078 1
1 1582 . 4 2 2 B 43 43 GLN HA H 338 4.282 3.852 0.430 1
1 1587 . 4 2 2 B 43 43 GLN CA C 338 56.127 58.554 -2.427 1
1 1588 . 4 2 2 B 43 43 GLN CB C 338 29.560 26.545 3.015 1
1 1590 . 4 2 2 B 43 43 GLN N N 338 119.529 115.831 3.698 1
1 1591 . 4 2 2 B 44 44 GLU H H 339 8.254 8.578 -0.324 1
1 1592 . 4 2 2 B 44 44 GLU HA H 339 4.275 3.913 0.362 1
1 1597 . 4 2 2 B 44 44 GLU CA C 339 56.683 55.344 1.339 1
1 1598 . 4 2 2 B 44 44 GLU N N 339 121.540 115.770 5.770 1
1 51 . 5 1 1 A 7 7 TRP H H 122 8.903 8.667 0.236 1
1 52 . 5 1 1 A 7 7 TRP HA H 122 5.048 5.488 -0.440 1
1 61 . 5 1 1 A 7 7 TRP CA C 122 54.452 57.575 -3.123 1
1 62 . 5 1 1 A 7 7 TRP CB C 122 29.834 30.374 -0.540 1
1 68 . 5 1 1 A 7 7 TRP N N 122 123.342 124.911 -1.569 1
1 70 . 5 1 1 A 8 8 ALA H H 123 8.015 8.141 -0.126 1
1 71 . 5 1 1 A 8 8 ALA HA H 123 3.864 3.607 0.257 1
1 75 . 5 1 1 A 8 8 ALA CA C 123 53.436 55.075 -1.639 1
1 76 . 5 1 1 A 8 8 ALA CB C 123 19.174 17.731 1.443 1
1 77 . 5 1 1 A 8 8 ALA N N 123 128.053 129.316 -1.263 1
1 78 . 5 1 1 A 9 9 VAL H H 124 5.029 6.564 -1.535 1
1 79 . 5 1 1 A 9 9 VAL HA H 124 3.497 3.579 -0.082 1
1 87 . 5 1 1 A 9 9 VAL CA C 124 61.304 62.297 -0.993 1
1 88 . 5 1 1 A 9 9 VAL CB C 124 29.834 31.234 -1.400 1
1 91 . 5 1 1 A 9 9 VAL N N 124 113.760 117.543 -3.783 1
1 92 . 5 1 1 A 10 10 LYS H H 125 8.812 8.824 -0.012 1
1 93 . 5 1 1 A 10 10 LYS HA H 125 4.383 4.711 -0.328 1
1 102 . 5 1 1 A 10 10 LYS CA C 125 54.959 53.095 1.864 1
1 103 . 5 1 1 A 10 10 LYS CB C 125 30.849 32.646 -1.797 1
1 107 . 5 1 1 A 10 10 LYS N N 125 129.016 127.988 1.028 1
1 108 . 5 1 1 A 11 11 PRO HA H 126 4.229 4.321 -0.092 1
1 115 . 5 1 1 A 11 11 PRO CA C 126 65.872 65.550 0.322 1
1 116 . 5 1 1 A 11 11 PRO CB C 126 32.118 31.879 0.239 1
1 119 . 5 1 1 A 12 12 GLU H H 127 9.749 8.303 1.446 1
1 120 . 5 1 1 A 12 12 GLU HA H 127 4.075 4.110 -0.035 1
1 125 . 5 1 1 A 12 12 GLU CA C 127 59.464 59.600 -0.136 1
1 126 . 5 1 1 A 12 12 GLU CB C 127 28.565 29.190 -0.625 1
1 128 . 5 1 1 A 12 12 GLU N N 127 117.669 117.415 0.254 1
1 129 . 5 1 1 A 13 13 ASP H H 128 6.907 8.297 -1.390 1
1 130 . 5 1 1 A 13 13 ASP HA H 128 4.115 4.104 0.011 1
1 133 . 5 1 1 A 13 13 ASP CA C 128 56.482 56.554 -0.072 1
1 134 . 5 1 1 A 13 13 ASP CB C 128 40.239 40.571 -0.332 1
1 135 . 5 1 1 A 13 13 ASP N N 128 120.880 118.876 2.004 1
1 136 . 5 1 1 A 14 14 LYS H H 129 8.162 8.219 -0.057 1
1 137 . 5 1 1 A 14 14 LYS HA H 129 3.645 4.062 -0.417 1
1 146 . 5 1 1 A 14 14 LYS CA C 129 58.512 59.410 -0.898 1
1 147 . 5 1 1 A 14 14 LYS CB C 129 32.118 32.242 -0.124 1
1 151 . 5 1 1 A 14 14 LYS N N 129 120.161 120.073 0.088 1
1 152 . 5 1 1 A 15 15 ALA H H 130 7.836 8.058 -0.222 1
1 153 . 5 1 1 A 15 15 ALA HA H 130 4.254 4.062 0.192 1
1 157 . 5 1 1 A 15 15 ALA CA C 130 55.213 54.864 0.349 1
1 158 . 5 1 1 A 15 15 ALA CB C 130 17.906 18.225 -0.319 1
1 159 . 5 1 1 A 15 15 ALA N N 130 118.204 122.358 -4.154 1
1 160 . 5 1 1 A 16 16 LYS H H 131 7.055 7.530 -0.475 1
1 161 . 5 1 1 A 16 16 LYS HA H 131 4.128 4.130 -0.002 1
1 170 . 5 1 1 A 16 16 LYS CA C 131 59.274 59.163 0.111 1
1 171 . 5 1 1 A 16 16 LYS CB C 131 31.864 31.969 -0.105 1
1 175 . 5 1 1 A 16 16 LYS N N 131 119.703 118.918 0.785 1
1 176 . 5 1 1 A 17 17 TYR H H 132 8.606 8.341 0.265 1
1 177 . 5 1 1 A 17 17 TYR HA H 132 4.812 4.454 0.358 1
1 182 . 5 1 1 A 17 17 TYR CA C 132 58.005 61.300 -3.295 1
1 183 . 5 1 1 A 17 17 TYR CB C 132 35.417 38.163 -2.746 1
1 186 . 5 1 1 A 17 17 TYR N N 132 122.165 118.910 3.255 1
1 187 . 5 1 1 A 18 18 ASP H H 133 9.404 9.066 0.338 1
1 188 . 5 1 1 A 18 18 ASP HA H 133 4.456 4.571 -0.115 1
1 191 . 5 1 1 A 18 18 ASP CA C 133 57.497 57.625 -0.128 1
1 192 . 5 1 1 A 18 18 ASP CB C 133 40.493 41.160 -0.667 1
1 193 . 5 1 1 A 18 18 ASP N N 133 121.201 120.770 0.431 1
1 194 . 5 1 1 A 19 19 ALA H H 134 7.360 7.756 -0.396 1
1 195 . 5 1 1 A 19 19 ALA HA H 134 4.383 4.109 0.274 1
1 199 . 5 1 1 A 19 19 ALA CA C 134 54.959 55.169 -0.210 1
1 200 . 5 1 1 A 19 19 ALA CB C 134 17.906 18.610 -0.704 1
1 201 . 5 1 1 A 19 19 ALA N N 134 120.666 121.370 -0.704 1
1 202 . 5 1 1 A 20 20 ILE H H 135 7.778 7.963 -0.185 1
1 203 . 5 1 1 A 20 20 ILE HA H 135 3.795 3.899 -0.104 1
1 213 . 5 1 1 A 20 20 ILE CA C 135 64.857 64.547 0.310 1
1 214 . 5 1 1 A 20 20 ILE CB C 135 38.463 37.694 0.769 1
1 218 . 5 1 1 A 20 20 ILE N N 135 120.238 116.822 3.416 1
1 219 . 5 1 1 A 21 21 PHE H H 136 9.262 8.845 0.417 1
1 220 . 5 1 1 A 21 21 PHE HA H 136 3.195 4.003 -0.808 1
1 226 . 5 1 1 A 21 21 PHE CA C 136 62.065 62.216 -0.151 1
1 227 . 5 1 1 A 21 21 PHE CB C 136 38.970 39.593 -0.623 1
1 231 . 5 1 1 A 21 21 PHE N N 136 123.878 123.707 0.171 1
1 232 . 5 1 1 A 22 22 ASP H H 137 8.410 8.723 -0.313 1
1 233 . 5 1 1 A 22 22 ASP HA H 137 4.287 4.511 -0.224 1
1 236 . 5 1 1 A 22 22 ASP CA C 137 57.497 57.106 0.391 1
1 237 . 5 1 1 A 22 22 ASP CB C 137 40.493 41.503 -1.010 1
1 238 . 5 1 1 A 22 22 ASP N N 137 115.420 119.966 -4.546 1
1 239 . 5 1 1 A 23 23 SER H H 138 7.946 7.809 0.137 1
1 240 . 5 1 1 A 23 23 SER HA H 138 4.475 4.316 0.159 1
1 243 . 5 1 1 A 23 23 SER CA C 138 60.543 60.753 -0.210 1
1 244 . 5 1 1 A 23 23 SER CB C 138 63.334 62.864 0.470 1
1 245 . 5 1 1 A 23 23 SER N N 138 117.133 114.328 2.805 1
1 246 . 5 1 1 A 24 24 LEU H H 139 7.338 7.356 -0.018 1
1 247 . 5 1 1 A 24 24 LEU HA H 139 4.333 4.334 -0.001 1
1 257 . 5 1 1 A 24 24 LEU CA C 139 54.452 54.400 0.052 1
1 258 . 5 1 1 A 24 24 LEU CB C 139 42.016 42.271 -0.255 1
1 262 . 5 1 1 A 24 24 LEU N N 139 123.003 118.670 4.333 1
1 263 . 5 1 1 A 25 25 SER H H 140 7.698 7.998 -0.300 1
1 264 . 5 1 1 A 25 25 SER HA H 140 4.036 4.215 -0.179 1
1 268 . 5 1 1 A 25 25 SER CA C 140 58.005 58.727 -0.722 1
1 269 . 5 1 1 A 25 25 SER CB C 140 60.796 61.659 -0.863 1
1 270 . 5 1 1 A 25 25 SER N N 140 109.104 113.310 -4.206 1
1 271 . 5 1 1 A 26 26 PRO HA H 141 4.114 4.476 -0.362 1
1 278 . 5 1 1 A 26 26 PRO CA C 141 62.827 62.446 0.381 1
1 279 . 5 1 1 A 26 26 PRO CB C 141 32.650 32.896 -0.246 1
1 282 . 5 1 1 A 27 27 VAL H H 142 8.410 8.903 -0.493 1
1 283 . 5 1 1 A 27 27 VAL HA H 142 4.297 4.529 -0.232 1
1 291 . 5 1 1 A 27 27 VAL CA C 142 61.812 61.261 0.551 1
1 292 . 5 1 1 A 27 27 VAL CB C 142 33.641 32.143 1.498 1
1 295 . 5 1 1 A 27 27 VAL N N 142 120.987 120.815 0.172 1
1 296 . 5 1 1 A 28 28 ASN H H 143 9.694 9.614 0.080 1
1 297 . 5 1 1 A 28 28 ASN HA H 143 4.425 4.507 -0.082 1
1 302 . 5 1 1 A 28 28 ASN CA C 143 54.198 54.713 -0.515 1
1 303 . 5 1 1 A 28 28 ASN CB C 143 37.701 37.249 0.452 1
1 304 . 5 1 1 A 28 28 ASN N N 143 127.946 127.639 0.307 1
1 306 . 5 1 1 A 29 29 GLY H H 144 8.410 8.604 -0.194 1
1 307 . 5 1 1 A 29 29 GLY HA2 H 144 3.582 3.501 0.081 1
1 308 . 5 1 1 A 29 29 GLY HA3 H 144 3.976 3.804 0.172 1
1 309 . 5 1 1 A 29 29 GLY CA C 144 44.808 45.369 -0.561 1
1 310 . 5 1 1 A 29 29 GLY N N 144 99.790 104.885 -5.095 1
1 311 . 5 1 1 A 30 30 PHE H H 145 7.749 8.093 -0.344 1
1 312 . 5 1 1 A 30 30 PHE HA H 145 5.476 5.438 0.038 1
1 318 . 5 1 1 A 30 30 PHE CA C 145 56.736 56.720 0.016 1
1 319 . 5 1 1 A 30 30 PHE CB C 145 44.554 42.565 1.989 1
1 323 . 5 1 1 A 30 30 PHE N N 145 115.206 118.424 -3.218 1
1 324 . 5 1 1 A 31 31 LEU H H 146 9.492 9.344 0.148 1
1 325 . 5 1 1 A 31 31 LEU HA H 146 4.765 5.105 -0.340 1
1 335 . 5 1 1 A 31 31 LEU CA C 146 52.929 53.281 -0.352 1
1 336 . 5 1 1 A 31 31 LEU CB C 146 45.569 44.883 0.686 1
1 340 . 5 1 1 A 31 31 LEU N N 146 121.522 123.614 -2.092 1
1 341 . 5 1 1 A 32 32 SER H H 147 7.822 8.464 -0.642 1
1 342 . 5 1 1 A 32 32 SER HA H 147 4.951 5.328 -0.377 1
1 345 . 5 1 1 A 32 32 SER CA C 147 57.243 56.331 0.912 1
1 346 . 5 1 1 A 32 32 SER CB C 147 64.603 66.576 -1.973 1
1 347 . 5 1 1 A 32 32 SER N N 147 116.938 114.952 1.986 1
1 348 . 5 1 1 A 33 33 GLY H H 148 9.072 8.967 0.105 1
1 349 . 5 1 1 A 33 33 GLY HA2 H 148 3.689 3.491 0.198 1
1 350 . 5 1 1 A 33 33 GLY HA3 H 148 3.690 3.563 0.127 1
1 351 . 5 1 1 A 33 33 GLY CA C 148 48.614 47.493 1.121 1
1 352 . 5 1 1 A 33 33 GLY N N 148 109.104 108.629 0.475 1
1 353 . 5 1 1 A 34 34 ASP H H 149 8.600 8.292 0.308 1
1 354 . 5 1 1 A 34 34 ASP HA H 149 4.222 4.288 -0.066 1
1 357 . 5 1 1 A 34 34 ASP CA C 149 56.228 56.162 0.066 1
1 358 . 5 1 1 A 34 34 ASP CB C 149 39.985 39.050 0.935 1
1 359 . 5 1 1 A 34 34 ASP N N 149 117.454 121.269 -3.815 1
1 360 . 5 1 1 A 35 35 LYS H H 150 7.453 7.712 -0.259 1
1 361 . 5 1 1 A 35 35 LYS HA H 150 4.352 4.284 0.068 1
1 370 . 5 1 1 A 35 35 LYS CA C 150 57.497 57.939 -0.442 1
1 371 . 5 1 1 A 35 35 LYS CB C 150 34.402 33.378 1.024 1
1 375 . 5 1 1 A 35 35 LYS N N 150 117.347 118.784 -1.437 1
1 376 . 5 1 1 A 36 36 VAL H H 151 7.691 8.540 -0.849 1
1 377 . 5 1 1 A 36 36 VAL HA H 151 3.979 3.433 0.546 1
1 385 . 5 1 1 A 36 36 VAL CA C 151 65.365 66.623 -1.258 1
1 386 . 5 1 1 A 36 36 VAL CB C 151 33.894 31.567 2.327 1
1 389 . 5 1 1 A 36 36 VAL N N 151 116.919 120.425 -3.506 1
1 390 . 5 1 1 A 37 37 LYS H H 152 8.610 8.733 -0.123 1
1 391 . 5 1 1 A 37 37 LYS HA H 152 4.100 4.189 -0.089 1
1 399 . 5 1 1 A 37 37 LYS CA C 152 58.005 61.513 -3.508 1
1 400 . 5 1 1 A 37 37 LYS CB C 152 29.834 29.918 -0.084 1
1 404 . 5 1 1 A 37 37 LYS N N 152 120.916 120.332 0.584 1
1 405 . 5 1 1 A 38 38 PRO HA H 153 4.248 4.400 -0.152 1
1 412 . 5 1 1 A 38 38 PRO CA C 153 66.380 65.192 1.188 1
1 413 . 5 1 1 A 38 38 PRO CB C 153 31.610 31.380 0.230 1
1 416 . 5 1 1 A 39 39 VAL H H 154 7.059 6.804 0.255 1
1 417 . 5 1 1 A 39 39 VAL HA H 154 4.100 3.812 0.288 1
1 425 . 5 1 1 A 39 39 VAL CA C 154 65.872 65.238 0.634 1
1 426 . 5 1 1 A 39 39 VAL CB C 154 32.118 31.485 0.633 1
1 429 . 5 1 1 A 39 39 VAL N N 154 116.812 116.542 0.270 1
1 430 . 5 1 1 A 40 40 LEU H H 155 8.203 8.854 -0.651 1
1 431 . 5 1 1 A 40 40 LEU HA H 155 4.206 4.027 0.179 1
1 441 . 5 1 1 A 40 40 LEU CA C 155 62.070 57.793 4.277 1
1 442 . 5 1 1 A 40 40 LEU CB C 155 42.121 41.403 0.718 1
1 445 . 5 1 1 A 40 40 LEU N N 155 117.561 120.080 -2.519 1
1 446 . 5 1 1 A 41 41 LEU H H 156 8.629 8.166 0.463 1
1 447 . 5 1 1 A 41 41 LEU HA H 156 4.141 4.267 -0.126 1
1 457 . 5 1 1 A 41 41 LEU CA C 156 58.000 55.020 2.980 1
1 458 . 5 1 1 A 41 41 LEU CB C 156 41.762 41.003 0.759 1
1 462 . 5 1 1 A 42 42 ASN HA H 157 4.785 4.543 0.242 1
1 465 . 5 1 1 A 42 42 ASN CA C 157 54.959 55.054 -0.095 1
1 466 . 5 1 1 A 42 42 ASN CB C 157 37.701 37.158 0.543 1
1 467 . 5 1 1 A 43 43 SER H H 158 7.849 7.761 0.088 1
1 468 . 5 1 1 A 43 43 SER HA H 158 3.480 4.725 -1.245 1
1 471 . 5 1 1 A 43 43 SER CA C 158 60.796 56.039 4.757 1
1 472 . 5 1 1 A 43 43 SER CB C 158 64.096 66.145 -2.049 1
1 473 . 5 1 1 A 43 43 SER N N 158 114.778 111.471 3.307 1
1 474 . 5 1 1 A 44 44 LYS H H 159 7.633 8.558 -0.925 1
1 475 . 5 1 1 A 44 44 LYS HA H 159 3.868 4.372 -0.504 1
1 484 . 5 1 1 A 44 44 LYS CA C 159 58.005 56.649 1.356 1
1 485 . 5 1 1 A 44 44 LYS CB C 159 29.341 32.615 -3.274 1
1 489 . 5 1 1 A 44 44 LYS N N 159 111.031 117.785 -6.754 1
1 490 . 5 1 1 A 45 45 LEU H H 160 7.287 7.147 0.140 1
1 491 . 5 1 1 A 45 45 LEU HA H 160 4.421 4.459 -0.038 1
1 501 . 5 1 1 A 45 45 LEU CA C 160 53.183 52.590 0.593 1
1 502 . 5 1 1 A 45 45 LEU CB C 160 41.508 41.650 -0.142 1
1 506 . 5 1 1 A 45 45 LEU N N 160 121.094 121.653 -0.559 1
1 507 . 5 1 1 A 46 46 PRO HA H 161 4.493 4.592 -0.099 1
1 514 . 5 1 1 A 46 46 PRO CA C 161 62.065 62.619 -0.554 1
1 515 . 5 1 1 A 46 46 PRO CB C 161 32.879 32.678 0.201 1
1 518 . 5 1 1 A 47 47 VAL H H 162 8.112 8.645 -0.533 1
1 519 . 5 1 1 A 47 47 VAL HA H 162 3.437 3.721 -0.284 1
1 527 . 5 1 1 A 47 47 VAL CA C 162 66.634 65.142 1.492 1
1 528 . 5 1 1 A 47 47 VAL CB C 162 28.508 31.532 -3.024 1
1 531 . 5 1 1 A 47 47 VAL N N 162 121.522 123.185 -1.663 1
1 532 . 5 1 1 A 48 48 ASP H H 163 8.753 8.212 0.541 1
1 533 . 5 1 1 A 48 48 ASP HA H 163 4.582 4.286 0.296 1
1 536 . 5 1 1 A 48 48 ASP CA C 163 56.990 57.722 -0.732 1
1 537 . 5 1 1 A 48 48 ASP CB C 163 40.239 41.371 -1.132 1
1 538 . 5 1 1 A 48 48 ASP N N 163 117.454 120.201 -2.747 1
1 539 . 5 1 1 A 49 49 ILE H H 164 7.051 7.429 -0.378 1
1 540 . 5 1 1 A 49 49 ILE HA H 164 3.802 3.862 -0.060 1
1 550 . 5 1 1 A 49 49 ILE CA C 164 63.081 64.408 -1.327 1
1 551 . 5 1 1 A 49 49 ILE CB C 164 36.940 37.415 -0.475 1
1 555 . 5 1 1 A 49 49 ILE N N 164 119.167 118.121 1.046 1
1 556 . 5 1 1 A 50 50 LEU H H 165 7.626 8.135 -0.509 1
1 557 . 5 1 1 A 50 50 LEU HA H 165 3.447 4.084 -0.637 1
1 567 . 5 1 1 A 50 50 LEU CA C 165 57.751 58.276 -0.525 1
1 568 . 5 1 1 A 50 50 LEU CB C 165 40.239 41.717 -1.478 1
1 572 . 5 1 1 A 50 50 LEU N N 165 119.274 121.978 -2.704 1
1 573 . 5 1 1 A 51 51 GLY H H 166 8.744 8.661 0.083 1
1 574 . 5 1 1 A 51 51 GLY HA2 H 166 3.480 3.785 -0.305 1
1 575 . 5 1 1 A 51 51 GLY HA3 H 166 2.888 3.817 -0.929 1
1 576 . 5 1 1 A 51 51 GLY CA C 166 46.584 47.185 -0.601 1
1 577 . 5 1 1 A 51 51 GLY N N 166 104.501 106.430 -1.929 1
1 578 . 5 1 1 A 52 52 ARG H H 167 7.189 7.837 -0.648 1
1 579 . 5 1 1 A 52 52 ARG HA H 167 3.977 4.105 -0.128 1
1 586 . 5 1 1 A 52 52 ARG CA C 167 59.527 59.838 -0.311 1
1 587 . 5 1 1 A 52 52 ARG CB C 167 29.834 30.167 -0.333 1
1 590 . 5 1 1 A 52 52 ARG N N 167 122.700 122.020 0.680 1
1 591 . 5 1 1 A 53 53 VAL H H 168 8.411 8.355 0.056 1
1 592 . 5 1 1 A 53 53 VAL HA H 168 3.390 3.679 -0.289 1
1 600 . 5 1 1 A 53 53 VAL CA C 168 67.395 66.698 0.697 1
1 601 . 5 1 1 A 53 53 VAL CB C 168 31.103 31.660 -0.557 1
1 604 . 5 1 1 A 53 53 VAL N N 168 119.596 120.435 -0.839 1
1 605 . 5 1 1 A 54 54 TRP H H 169 8.573 8.621 -0.048 1
1 606 . 5 1 1 A 54 54 TRP HA H 169 3.738 4.277 -0.539 1
1 615 . 5 1 1 A 54 54 TRP CA C 169 61.812 61.231 0.581 1
1 616 . 5 1 1 A 54 54 TRP CB C 169 27.550 29.748 -2.198 1
1 622 . 5 1 1 A 54 54 TRP N N 169 121.308 121.161 0.147 1
1 624 . 5 1 1 A 55 55 GLU H H 170 7.783 8.640 -0.857 1
1 625 . 5 1 1 A 55 55 GLU HA H 170 4.030 4.422 -0.392 1
1 630 . 5 1 1 A 55 55 GLU CA C 170 59.020 59.554 -0.534 1
1 631 . 5 1 1 A 55 55 GLU CB C 170 30.088 29.530 0.558 1
1 633 . 5 1 1 A 55 55 GLU N N 170 116.384 118.149 -1.765 1
1 634 . 5 1 1 A 56 56 LEU H H 171 8.005 7.802 0.203 1
1 635 . 5 1 1 A 56 56 LEU HA H 171 4.003 4.131 -0.128 1
1 645 . 5 1 1 A 56 56 LEU CA C 171 56.736 57.444 -0.708 1
1 646 . 5 1 1 A 56 56 LEU CB C 171 43.539 42.188 1.351 1
1 650 . 5 1 1 A 56 56 LEU N N 171 115.771 121.348 -5.577 1
1 651 . 5 1 1 A 57 57 SER H H 172 7.501 8.799 -1.298 1
1 652 . 5 1 1 A 57 57 SER HA H 172 4.154 4.255 -0.101 1
1 655 . 5 1 1 A 57 57 SER CA C 172 61.812 61.489 0.323 1
1 656 . 5 1 1 A 57 57 SER CB C 172 63.588 62.542 1.046 1
1 657 . 5 1 1 A 57 57 SER N N 172 112.209 114.169 -1.960 1
1 658 . 5 1 1 A 58 58 ASP H H 173 7.592 7.822 -0.230 1
1 659 . 5 1 1 A 58 58 ASP HA H 173 4.550 4.546 0.004 1
1 662 . 5 1 1 A 58 58 ASP CA C 173 51.914 53.254 -1.340 1
1 663 . 5 1 1 A 58 58 ASP CB C 173 36.940 39.817 -2.877 1
1 664 . 5 1 1 A 58 58 ASP N N 173 117.133 120.590 -3.457 1
1 665 . 5 1 1 A 59 59 ILE H H 174 8.078 7.976 0.102 1
1 666 . 5 1 1 A 59 59 ILE HA H 174 3.354 3.691 -0.337 1
1 676 . 5 1 1 A 59 59 ILE CA C 174 64.857 65.462 -0.605 1
1 677 . 5 1 1 A 59 59 ILE CB C 174 39.985 37.996 1.989 1
1 681 . 5 1 1 A 59 59 ILE N N 174 128.160 125.325 2.835 1
1 682 . 5 1 1 A 60 60 ASP H H 175 7.795 7.883 -0.088 1
1 683 . 5 1 1 A 60 60 ASP HA H 175 4.361 4.597 -0.236 1
1 686 . 5 1 1 A 60 60 ASP CA C 175 52.167 53.143 -0.976 1
1 687 . 5 1 1 A 60 60 ASP CB C 175 39.732 40.408 -0.676 1
1 688 . 5 1 1 A 60 60 ASP N N 175 113.493 117.465 -3.972 1
1 689 . 5 1 1 A 61 61 HIS H H 176 7.521 8.088 -0.567 1
1 690 . 5 1 1 A 61 61 HIS HA H 176 4.236 4.840 -0.604 1
1 694 . 5 1 1 A 61 61 HIS CA C 176 56.228 56.821 -0.593 1
1 695 . 5 1 1 A 61 61 HIS CB C 176 26.534 27.360 -0.826 1
1 697 . 5 1 1 A 61 61 HIS N N 176 112.637 114.684 -2.047 1
1 698 . 5 1 1 A 62 62 ASP H H 177 8.547 7.900 0.647 1
1 699 . 5 1 1 A 62 62 ASP HA H 177 4.769 4.416 0.353 1
1 702 . 5 1 1 A 62 62 ASP CA C 177 53.436 53.420 0.016 1
1 703 . 5 1 1 A 62 62 ASP CB C 177 40.747 40.064 0.683 1
1 704 . 5 1 1 A 62 62 ASP N N 177 118.739 118.815 -0.076 1
1 705 . 5 1 1 A 63 63 GLY H H 178 10.793 8.956 1.837 1
1 706 . 5 1 1 A 63 63 GLY HA2 H 178 4.398 3.976 0.422 1
1 707 . 5 1 1 A 63 63 GLY HA3 H 178 3.946 4.059 -0.113 1
1 708 . 5 1 1 A 63 63 GLY CA C 178 46.330 45.536 0.794 1
1 709 . 5 1 1 A 63 63 GLY N N 178 112.958 111.100 1.858 1
1 710 . 5 1 1 A 64 64 MET H H 179 8.337 7.882 0.455 1
1 711 . 5 1 1 A 64 64 MET HA H 179 5.360 5.107 0.253 1
1 719 . 5 1 1 A 64 64 MET CA C 179 52.929 54.228 -1.299 1
1 720 . 5 1 1 A 64 64 MET CB C 179 36.432 37.911 -1.479 1
1 722 . 5 1 1 A 64 64 MET N N 179 118.525 119.289 -0.764 1
1 723 . 5 1 1 A 65 65 LEU H H 180 9.471 9.559 -0.088 1
1 724 . 5 1 1 A 65 65 LEU HA H 180 5.838 5.044 0.794 1
1 734 . 5 1 1 A 65 65 LEU CA C 180 53.436 53.566 -0.130 1
1 735 . 5 1 1 A 65 65 LEU CB C 180 43.285 43.435 -0.150 1
1 739 . 5 1 1 A 65 65 LEU N N 180 120.987 121.778 -0.791 1
1 740 . 5 1 1 A 66 66 ASP H H 181 9.203 9.092 0.111 1
1 741 . 5 1 1 A 66 66 ASP HA H 181 5.378 5.038 0.340 1
1 744 . 5 1 1 A 66 66 ASP CA C 181 51.914 53.401 -1.487 1
1 745 . 5 1 1 A 66 66 ASP CB C 181 40.493 41.800 -1.307 1
1 746 . 5 1 1 A 66 66 ASP N N 181 124.306 125.555 -1.249 1
1 747 . 5 1 1 A 67 67 ARG H H 182 8.130 8.435 -0.305 1
1 748 . 5 1 1 A 67 67 ARG HA H 182 2.758 3.383 -0.625 1
1 755 . 5 1 1 A 67 67 ARG CA C 182 60.543 59.434 1.109 1
1 756 . 5 1 1 A 67 67 ARG CB C 182 30.595 29.605 0.990 1
1 759 . 5 1 1 A 67 67 ARG N N 182 117.454 125.521 -8.067 1
1 760 . 5 1 1 A 68 68 ASP H H 183 7.871 8.389 -0.518 1
1 761 . 5 1 1 A 68 68 ASP HA H 183 4.748 4.741 0.007 1
1 764 . 5 1 1 A 68 68 ASP CA C 183 57.497 57.144 0.353 1
1 765 . 5 1 1 A 68 68 ASP CB C 183 40.747 40.453 0.294 1
1 766 . 5 1 1 A 68 68 ASP N N 183 119.703 119.414 0.289 1
1 767 . 5 1 1 A 69 69 GLU H H 184 8.775 8.358 0.417 1
1 768 . 5 1 1 A 69 69 GLU HA H 184 3.975 4.162 -0.187 1
1 773 . 5 1 1 A 69 69 GLU CA C 184 59.781 59.569 0.212 1
1 774 . 5 1 1 A 69 69 GLU CB C 184 31.762 29.681 2.081 1
1 776 . 5 1 1 A 69 69 GLU N N 184 120.987 120.379 0.608 1
1 777 . 5 1 1 A 70 70 PHE H H 185 9.331 9.060 0.271 1
1 778 . 5 1 1 A 70 70 PHE HA H 185 4.198 4.138 0.060 1
1 784 . 5 1 1 A 70 70 PHE CA C 185 61.812 61.658 0.154 1
1 785 . 5 1 1 A 70 70 PHE CB C 185 39.957 38.897 1.060 1
1 788 . 5 1 1 A 70 70 PHE N N 185 118.632 121.878 -3.246 1
1 789 . 5 1 1 A 71 71 ALA H H 186 7.622 8.187 -0.565 1
1 790 . 5 1 1 A 71 71 ALA HA H 186 3.991 3.920 0.071 1
1 794 . 5 1 1 A 71 71 ALA CA C 186 55.213 55.196 0.017 1
1 795 . 5 1 1 A 71 71 ALA CB C 186 18.921 18.377 0.544 1
1 796 . 5 1 1 A 71 71 ALA N N 186 120.131 121.317 -1.186 1
1 797 . 5 1 1 A 72 72 VAL H H 187 7.670 8.075 -0.405 1
1 798 . 5 1 1 A 72 72 VAL HA H 187 3.438 3.390 0.048 1
1 806 . 5 1 1 A 72 72 VAL CA C 187 67.617 66.601 1.016 1
1 807 . 5 1 1 A 72 72 VAL CB C 187 31.357 31.644 -0.287 1
1 810 . 5 1 1 A 72 72 VAL N N 187 117.776 119.119 -1.343 1
1 811 . 5 1 1 A 73 73 ALA H H 188 8.040 8.069 -0.029 1
1 812 . 5 1 1 A 73 73 ALA HA H 188 3.892 3.929 -0.037 1
1 816 . 5 1 1 A 73 73 ALA CA C 188 55.974 55.533 0.441 1
1 817 . 5 1 1 A 73 73 ALA CB C 188 16.637 18.464 -1.827 1
1 818 . 5 1 1 A 73 73 ALA N N 188 122.058 121.445 0.613 1
1 819 . 5 1 1 A 74 74 MET H H 189 7.908 8.103 -0.195 1
1 820 . 5 1 1 A 74 74 MET HA H 189 3.900 3.812 0.088 1
1 828 . 5 1 1 A 74 74 MET CA C 189 55.974 58.249 -2.275 1
1 829 . 5 1 1 A 74 74 MET CB C 189 29.072 31.162 -2.090 1
1 832 . 5 1 1 A 74 74 MET N N 189 114.029 116.861 -2.832 1
1 833 . 5 1 1 A 75 75 PHE H H 190 8.298 7.811 0.487 1
1 834 . 5 1 1 A 75 75 PHE HA H 190 4.245 4.468 -0.223 1
1 840 . 5 1 1 A 75 75 PHE CA C 190 61.812 61.290 0.522 1
1 841 . 5 1 1 A 75 75 PHE CB C 190 39.732 39.297 0.435 1
1 844 . 5 1 1 A 75 75 PHE N N 190 121.174 122.010 -0.836 1
1 845 . 5 1 1 A 76 76 LEU H H 191 8.761 8.065 0.696 1
1 846 . 5 1 1 A 76 76 LEU HA H 191 3.987 3.942 0.045 1
1 856 . 5 1 1 A 76 76 LEU CA C 191 58.005 57.498 0.507 1
1 857 . 5 1 1 A 76 76 LEU CB C 191 43.792 41.249 2.543 1
1 859 . 5 1 1 A 76 76 LEU N N 191 119.596 119.647 -0.051 1
1 860 . 5 1 1 A 77 77 VAL H H 192 8.392 7.753 0.639 1
1 861 . 5 1 1 A 77 77 VAL HA H 192 3.205 3.512 -0.307 1
1 869 . 5 1 1 A 77 77 VAL CA C 192 67.395 65.981 1.414 1
1 870 . 5 1 1 A 77 77 VAL CB C 192 30.595 31.667 -1.072 1
1 873 . 5 1 1 A 77 77 VAL N N 192 120.773 119.558 1.215 1
1 874 . 5 1 1 A 78 78 TYR H H 193 8.617 7.632 0.985 1
1 875 . 5 1 1 A 78 78 TYR HA H 193 3.916 4.126 -0.210 1
1 880 . 5 1 1 A 78 78 TYR CA C 193 64.350 61.102 3.248 1
1 881 . 5 1 1 A 78 78 TYR CB C 193 36.940 37.404 -0.464 1
1 884 . 5 1 1 A 78 78 TYR N N 193 118.418 118.315 0.103 1
1 885 . 5 1 1 A 79 79 CYS H H 194 7.979 8.015 -0.036 1
1 886 . 5 1 1 A 79 79 CYS HA H 194 3.980 3.882 0.098 1
1 889 . 5 1 1 A 79 79 CYS CA C 194 63.842 61.988 1.854 1
1 890 . 5 1 1 A 79 79 CYS CB C 194 25.773 26.495 -0.722 1
1 891 . 5 1 1 A 79 79 CYS N N 194 117.133 118.492 -1.359 1
1 892 . 5 1 1 A 80 80 ALA H H 195 7.979 7.680 0.299 1
1 893 . 5 1 1 A 80 80 ALA HA H 195 4.372 4.038 0.334 1
1 897 . 5 1 1 A 80 80 ALA CA C 195 54.959 54.819 0.140 1
1 898 . 5 1 1 A 80 80 ALA CB C 195 17.906 18.507 -0.601 1
1 899 . 5 1 1 A 80 80 ALA N N 195 123.128 122.976 0.152 1
1 900 . 5 1 1 A 81 81 LEU H H 196 8.620 7.986 0.634 1
1 901 . 5 1 1 A 81 81 LEU HA H 196 3.957 3.997 -0.040 1
1 911 . 5 1 1 A 81 81 LEU CA C 196 57.497 57.702 -0.205 1
1 912 . 5 1 1 A 81 81 LEU CB C 196 40.747 41.220 -0.473 1
1 916 . 5 1 1 A 81 81 LEU N N 196 123.021 120.613 2.408 1
1 917 . 5 1 1 A 82 82 GLU H H 197 7.483 8.302 -0.819 1
1 918 . 5 1 1 A 82 82 GLU HA H 197 4.497 4.216 0.281 1
1 923 . 5 1 1 A 82 82 GLU CA C 197 56.418 55.518 0.900 1
1 924 . 5 1 1 A 82 82 GLU CB C 197 28.819 28.573 0.246 1
1 926 . 5 1 1 A 82 82 GLU N N 197 118.311 115.575 2.736 1
1 927 . 5 1 1 A 83 83 LYS H H 198 7.832 7.717 0.115 1
1 928 . 5 1 1 A 83 83 LYS HA H 198 3.805 3.832 -0.027 1
1 937 . 5 1 1 A 83 83 LYS CA C 198 57.497 57.377 0.120 1
1 938 . 5 1 1 A 83 83 LYS CB C 198 28.057 28.939 -0.882 1
1 942 . 5 1 1 A 83 83 LYS N N 198 111.674 114.208 -2.534 1
1 943 . 5 1 1 A 84 84 GLU H H 199 8.098 8.143 -0.045 1
1 944 . 5 1 1 A 84 84 GLU HA H 199 4.635 4.493 0.142 1
1 949 . 5 1 1 A 84 84 GLU CA C 199 53.944 54.218 -0.274 1
1 950 . 5 1 1 A 84 84 GLU CB C 199 29.580 29.514 0.066 1
1 952 . 5 1 1 A 84 84 GLU N N 199 121.737 119.081 2.656 1
1 953 . 5 1 1 A 85 85 PRO HA H 200 4.344 4.640 -0.296 1
1 960 . 5 1 1 A 85 85 PRO CA C 200 62.065 62.923 -0.858 1
1 961 . 5 1 1 A 85 85 PRO CB C 200 32.118 31.930 0.188 1
1 964 . 5 1 1 A 86 86 VAL H H 201 8.534 8.471 0.063 1
1 965 . 5 1 1 A 86 86 VAL HA H 201 4.275 4.472 -0.197 1
1 973 . 5 1 1 A 86 86 VAL CA C 201 60.035 59.517 0.518 1
1 974 . 5 1 1 A 86 86 VAL CB C 201 32.118 32.138 -0.020 1
1 977 . 5 1 1 A 86 86 VAL N N 201 125.055 123.581 1.474 1
1 978 . 5 1 1 A 87 87 PRO HA H 202 4.571 4.760 -0.189 1
1 985 . 5 1 1 A 87 87 PRO CA C 202 62.827 62.818 0.009 1
1 986 . 5 1 1 A 87 87 PRO CB C 202 32.879 32.676 0.203 1
1 989 . 5 1 1 A 88 88 MET H H 203 8.536 8.857 -0.321 1
1 990 . 5 1 1 A 88 88 MET HA H 203 4.437 4.657 -0.220 1
1 998 . 5 1 1 A 88 88 MET CA C 203 55.974 55.275 0.699 1
1 999 . 5 1 1 A 88 88 MET CB C 203 32.372 32.707 -0.335 1
1 1001 . 5 1 1 A 88 88 MET N N 203 114.671 119.706 -5.035 1
1 1002 . 5 1 1 A 89 89 SER H H 204 7.588 7.773 -0.185 1
1 1003 . 5 1 1 A 89 89 SER HA H 204 4.482 4.826 -0.344 1
1 1006 . 5 1 1 A 89 89 SER CA C 204 56.482 57.353 -0.871 1
1 1007 . 5 1 1 A 89 89 SER CB C 204 65.111 65.542 -0.431 1
1 1008 . 5 1 1 A 89 89 SER N N 204 110.603 116.645 -6.042 1
1 1009 . 5 1 1 A 90 90 LEU H H 205 9.188 8.442 0.746 1
1 1010 . 5 1 1 A 90 90 LEU HA H 205 4.314 4.388 -0.074 1
1 1020 . 5 1 1 A 90 90 LEU CA C 205 53.436 53.228 0.208 1
1 1021 . 5 1 1 A 90 90 LEU CB C 205 41.785 42.834 -1.049 1
1 1024 . 5 1 1 A 90 90 LEU N N 205 124.627 127.625 -2.998 1
1 1025 . 5 1 1 A 91 91 PRO HA H 206 4.794 4.746 0.048 1
1 1032 . 5 1 1 A 91 91 PRO CA C 206 61.304 62.105 -0.801 1
1 1033 . 5 1 1 A 91 91 PRO CB C 206 31.116 31.641 -0.525 1
1 1036 . 5 1 1 A 92 92 PRO HA H 207 4.221 4.275 -0.054 1
1 1043 . 5 1 1 A 92 92 PRO CA C 207 66.057 65.093 0.964 1
1 1044 . 5 1 1 A 92 92 PRO CB C 207 31.889 31.837 0.052 1
1 1047 . 5 1 1 A 93 93 ALA H H 208 8.509 8.184 0.325 1
1 1048 . 5 1 1 A 93 93 ALA HA H 208 4.181 4.144 0.037 1
1 1052 . 5 1 1 A 93 93 ALA CA C 208 54.198 54.492 -0.294 1
1 1053 . 5 1 1 A 93 93 ALA CB C 208 18.413 18.484 -0.071 1
1 1054 . 5 1 1 A 93 93 ALA N N 208 115.742 120.037 -4.295 1
1 1055 . 5 1 1 A 94 94 LEU H H 209 8.225 7.955 0.270 1
1 1056 . 5 1 1 A 94 94 LEU HA H 209 4.341 4.528 -0.187 1
1 1066 . 5 1 1 A 94 94 LEU CA C 209 54.452 53.854 0.598 1
1 1067 . 5 1 1 A 94 94 LEU CB C 209 43.285 42.080 1.205 1
1 1071 . 5 1 1 A 94 94 LEU N N 209 118.204 111.069 7.135 1
1 1072 . 5 1 1 A 95 95 VAL H H 210 7.400 7.479 -0.079 1
1 1073 . 5 1 1 A 95 95 VAL HA H 210 3.762 4.609 -0.847 1
1 1081 . 5 1 1 A 95 95 VAL CA C 210 61.812 59.513 2.299 1
1 1082 . 5 1 1 A 95 95 VAL CB C 210 32.118 33.028 -0.910 1
1 1085 . 5 1 1 A 95 95 VAL N N 210 123.021 121.485 1.536 1
1 1089 . 5 1 1 A 97 97 PRO HA H 212 3.641 4.178 -0.537 1
1 1096 . 5 1 1 A 97 97 PRO CA C 212 66.126 65.414 0.712 1
1 1097 . 5 1 1 A 97 97 PRO CB C 212 31.864 31.890 -0.026 1
1 1100 . 5 1 1 A 98 98 SER H H 213 8.243 8.164 0.079 1
1 1101 . 5 1 1 A 98 98 SER HA H 213 4.124 4.270 -0.146 1
1 1104 . 5 1 1 A 98 98 SER CA C 213 59.781 60.240 -0.459 1
1 1105 . 5 1 1 A 98 98 SER CB C 213 62.573 63.014 -0.441 1
1 1106 . 5 1 1 A 98 98 SER N N 213 110.924 112.062 -1.138 1
1 1107 . 5 1 1 A 99 99 LYS H H 214 8.125 7.670 0.455 1
1 1108 . 5 1 1 A 99 99 LYS HA H 214 4.563 4.580 -0.017 1
1 1117 . 5 1 1 A 99 99 LYS CA C 214 54.198 55.424 -1.226 1
1 1118 . 5 1 1 A 99 99 LYS CB C 214 32.879 32.148 0.731 1
1 1122 . 5 1 1 A 99 99 LYS N N 214 120.024 117.602 2.422 1
1 1180 . 5 2 2 B 7 7 SER HA H 302 4.483 4.514 -0.031 1
1 1183 . 5 2 2 B 7 7 SER CA C 302 58.429 58.912 -0.483 1
1 1184 . 5 2 2 B 7 7 SER CB C 302 63.758 62.901 0.857 1
1 1185 . 5 2 2 B 8 8 VAL H H 303 8.238 7.784 0.454 1
1 1186 . 5 2 2 B 8 8 VAL HA H 303 4.252 4.274 -0.022 1
1 1194 . 5 2 2 B 8 8 VAL CA C 303 62.311 62.005 0.306 1
1 1195 . 5 2 2 B 8 8 VAL CB C 303 32.824 32.286 0.538 1
1 1198 . 5 2 2 B 8 8 VAL N N 303 121.875 120.875 1.000 1
1 1199 . 5 2 2 B 9 9 THR H H 304 8.221 7.141 1.080 1
1 1200 . 5 2 2 B 9 9 THR HA H 304 4.369 4.366 0.003 1
1 1205 . 5 2 2 B 9 9 THR CA C 304 61.795 62.634 -0.839 1
1 1206 . 5 2 2 B 9 9 THR CB C 304 69.666 66.939 2.727 1
1 1208 . 5 2 2 B 9 9 THR N N 304 117.435 118.212 -0.777 1
1 1209 . 5 2 2 B 10 10 GLU H H 305 8.342 8.885 -0.543 1
1 1210 . 5 2 2 B 10 10 GLU HA H 305 4.292 4.583 -0.291 1
1 1215 . 5 2 2 B 10 10 GLU CA C 305 56.488 58.019 -1.531 1
1 1216 . 5 2 2 B 10 10 GLU CB C 305 30.344 31.714 -1.370 1
1 1218 . 5 2 2 B 10 10 GLU N N 305 123.467 127.467 -4.000 1
1 1219 . 5 2 2 B 11 11 ALA H H 306 8.299 7.953 0.346 1
1 1220 . 5 2 2 B 11 11 ALA HA H 306 4.330 4.566 -0.236 1
1 1224 . 5 2 2 B 11 11 ALA CA C 306 52.164 51.588 0.576 1
1 1225 . 5 2 2 B 11 11 ALA CB C 306 19.377 20.158 -0.781 1
1 1226 . 5 2 2 B 11 11 ALA N N 306 124.975 121.003 3.972 1
1 1227 . 5 2 2 B 12 12 SER H H 307 8.304 7.939 0.365 1
1 1228 . 5 2 2 B 12 12 SER HA H 307 4.628 5.272 -0.644 1
1 1231 . 5 2 2 B 12 12 SER CA C 307 56.214 57.653 -1.439 1
1 1232 . 5 2 2 B 12 12 SER CB C 307 63.419 64.561 -1.142 1
1 1233 . 5 2 2 B 12 12 SER N N 307 116.597 114.182 2.415 1
1 1234 . 5 2 2 B 13 13 PRO HA H 308 4.395 4.575 -0.180 1
1 1241 . 5 2 2 B 13 13 PRO CA C 308 63.060 63.631 -0.571 1
1 1242 . 5 2 2 B 13 13 PRO CB C 308 31.844 32.577 -0.733 1
1 1245 . 5 2 2 B 14 14 TRP H H 309 8.038 7.811 0.227 1
1 1246 . 5 2 2 B 14 14 TRP HA H 309 4.930 4.871 0.059 1
1 1255 . 5 2 2 B 14 14 TRP CA C 309 54.944 56.933 -1.989 1
1 1256 . 5 2 2 B 14 14 TRP CB C 309 30.324 30.491 -0.167 1
1 1262 . 5 2 2 B 14 14 TRP N N 309 121.372 122.725 -1.353 1
1 1264 . 5 2 2 B 15 15 ARG H H 310 8.827 9.088 -0.261 1
1 1265 . 5 2 2 B 15 15 ARG HA H 310 4.336 4.524 -0.188 1
1 1272 . 5 2 2 B 15 15 ARG CA C 310 56.617 55.442 1.175 1
1 1273 . 5 2 2 B 15 15 ARG CB C 310 31.336 29.827 1.509 1
1 1276 . 5 2 2 B 15 15 ARG N N 310 122.043 121.450 0.593 1
1 1277 . 5 2 2 B 16 16 ALA H H 311 8.551 8.142 0.409 1
1 1278 . 5 2 2 B 16 16 ALA HA H 311 4.140 4.023 0.117 1
1 1282 . 5 2 2 B 16 16 ALA CA C 311 54.460 54.767 -0.307 1
1 1283 . 5 2 2 B 16 16 ALA CB C 311 18.884 16.950 1.934 1
1 1284 . 5 2 2 B 16 16 ALA N N 311 120.702 119.484 1.218 1
1 1285 . 5 2 2 B 17 17 THR H H 312 7.286 8.686 -1.400 1
1 1286 . 5 2 2 B 17 17 THR HA H 312 4.219 4.185 0.034 1
1 1291 . 5 2 2 B 17 17 THR CA C 312 60.544 64.200 -3.656 1
1 1292 . 5 2 2 B 17 17 THR CB C 312 68.647 68.733 -0.086 1
1 1294 . 5 2 2 B 17 17 THR N N 312 124.807 109.265 15.542 1
1 1295 . 5 2 2 B 18 18 ASN H H 313 7.918 7.909 0.009 1
1 1296 . 5 2 2 B 18 18 ASN HA H 313 4.269 4.998 -0.729 1
1 1301 . 5 2 2 B 18 18 ASN CA C 313 50.640 50.474 0.166 1
1 1302 . 5 2 2 B 18 18 ASN CB C 313 39.462 40.133 -0.671 1
1 1303 . 5 2 2 B 18 18 ASN N N 313 123.467 121.838 1.629 1
1 1305 . 5 2 2 B 19 19 PRO HA H 314 4.135 4.444 -0.309 1
1 1312 . 5 2 2 B 19 19 PRO CA C 314 63.314 63.731 -0.417 1
1 1313 . 5 2 2 B 19 19 PRO CB C 314 31.336 32.499 -1.163 1
1 1316 . 5 2 2 B 20 20 PHE H H 315 8.568 8.054 0.514 1
1 1317 . 5 2 2 B 20 20 PHE HA H 315 4.144 4.609 -0.465 1
1 1323 . 5 2 2 B 20 20 PHE CA C 315 59.513 57.717 1.796 1
1 1324 . 5 2 2 B 20 20 PHE CB C 315 37.658 40.603 -2.945 1
1 1328 . 5 2 2 B 20 20 PHE N N 315 116.848 118.906 -2.058 1
1 1329 . 5 2 2 B 21 21 LEU H H 316 7.332 8.052 -0.720 1
1 1330 . 5 2 2 B 21 21 LEU HA H 316 4.393 4.582 -0.189 1
1 1340 . 5 2 2 B 21 21 LEU CA C 316 55.961 57.453 -1.492 1
1 1341 . 5 2 2 B 21 21 LEU CB C 316 43.017 41.759 1.258 1
1 1345 . 5 2 2 B 21 21 LEU N N 316 120.283 117.256 3.027 1
1 1346 . 5 2 2 B 22 22 ASN H H 317 8.010 8.333 -0.323 1
1 1347 . 5 2 2 B 22 22 ASN HA H 317 4.613 4.871 -0.258 1
1 1352 . 5 2 2 B 22 22 ASN CA C 317 53.224 52.528 0.696 1
1 1353 . 5 2 2 B 22 22 ASN CB C 317 38.714 37.798 0.916 1
1 1354 . 5 2 2 B 22 22 ASN N N 317 117.602 115.422 2.180 1
1 1356 . 5 2 2 B 23 23 GLU H H 318 8.344 8.081 0.263 1
1 1357 . 5 2 2 B 23 23 GLU HA H 318 4.373 4.520 -0.147 1
1 1362 . 5 2 2 B 23 23 GLU CA C 318 56.974 56.108 0.866 1
1 1363 . 5 2 2 B 23 23 GLU CB C 318 30.323 30.529 -0.206 1
1 1365 . 5 2 2 B 23 23 GLU N N 318 121.523 118.659 2.864 1
1 1366 . 5 2 2 B 24 24 THR H H 319 8.295 8.610 -0.315 1
1 1367 . 5 2 2 B 24 24 THR HA H 319 4.398 3.918 0.480 1
1 1372 . 5 2 2 B 24 24 THR CA C 319 61.940 66.186 -4.246 1
1 1373 . 5 2 2 B 24 24 THR CB C 319 70.138 66.849 3.289 1
1 1375 . 5 2 2 B 24 24 THR N N 319 115.089 112.328 2.761 1
1 1376 . 5 2 2 B 25 25 LEU H H 320 8.639 8.919 -0.280 1
1 1377 . 5 2 2 B 25 25 LEU HA H 320 4.237 4.139 0.098 1
1 1387 . 5 2 2 B 25 25 LEU CA C 320 55.196 57.986 -2.790 1
1 1388 . 5 2 2 B 25 25 LEU CB C 320 40.733 41.717 -0.984 1
1 1392 . 5 2 2 B 25 25 LEU N N 320 122.143 119.775 2.368 1
1 1393 . 5 2 2 B 26 26 GLN H H 321 8.121 8.042 0.079 1
1 1394 . 5 2 2 B 26 26 GLN HA H 321 4.217 4.439 -0.222 1
1 1401 . 5 2 2 B 26 26 GLN CA C 321 56.987 54.985 2.002 1
1 1402 . 5 2 2 B 26 26 GLN CB C 321 29.309 29.590 -0.281 1
1 1404 . 5 2 2 B 26 26 GLN N N 321 119.864 117.813 2.051 1
1 1406 . 5 2 2 B 27 27 ASP H H 322 8.489 7.755 0.734 1
1 1407 . 5 2 2 B 27 27 ASP HA H 322 4.656 4.800 -0.144 1
1 1410 . 5 2 2 B 27 27 ASP CA C 322 54.170 52.746 1.424 1
1 1411 . 5 2 2 B 27 27 ASP CB C 322 40.758 43.450 -2.692 1
1 1412 . 5 2 2 B 27 27 ASP N N 322 119.864 120.461 -0.597 1
1 1413 . 5 2 2 B 28 28 VAL H H 323 7.588 8.530 -0.942 1
1 1414 . 5 2 2 B 28 28 VAL HA H 323 4.094 3.756 0.338 1
1 1422 . 5 2 2 B 28 28 VAL CA C 323 61.797 62.490 -0.693 1
1 1423 . 5 2 2 B 28 28 VAL CB C 323 32.915 30.199 2.716 1
1 1426 . 5 2 2 B 28 28 VAL N N 323 119.446 117.895 1.551 1
1 1427 . 5 2 2 B 29 29 GLN H H 324 8.451 7.986 0.465 1
1 1428 . 5 2 2 B 29 29 GLN HA H 324 4.633 4.956 -0.323 1
1 1435 . 5 2 2 B 29 29 GLN CA C 324 53.138 53.194 -0.056 1
1 1436 . 5 2 2 B 29 29 GLN CB C 324 28.795 29.593 -0.798 1
1 1438 . 5 2 2 B 29 29 GLN N N 324 125.897 121.444 4.453 1
1 1440 . 5 2 2 B 30 30 PRO HA H 325 4.486 4.446 0.040 1
1 1447 . 5 2 2 B 30 30 PRO CA C 325 62.553 62.937 -0.384 1
1 1448 . 5 2 2 B 30 30 PRO CB C 325 32.316 31.656 0.660 1
1 1451 . 5 2 2 B 31 31 SER H H 326 7.858 8.531 -0.673 1
1 1452 . 5 2 2 B 31 31 SER HA H 326 4.734 4.745 -0.011 1
1 1455 . 5 2 2 B 31 31 SER CA C 326 55.447 55.479 -0.032 1
1 1456 . 5 2 2 B 31 31 SER CB C 326 63.822 63.182 0.640 1
1 1457 . 5 2 2 B 31 31 SER N N 326 115.759 117.516 -1.757 1
1 1458 . 5 2 2 B 32 32 PRO HA H 327 4.554 4.473 0.081 1
1 1465 . 5 2 2 B 32 32 PRO CA C 327 64.076 63.306 0.770 1
1 1466 . 5 2 2 B 32 32 PRO CB C 327 32.098 30.587 1.511 1
1 1469 . 5 2 2 B 33 33 ILE H H 328 8.233 8.110 0.123 1
1 1470 . 5 2 2 B 33 33 ILE HA H 328 3.829 4.236 -0.407 1
1 1480 . 5 2 2 B 33 33 ILE CA C 328 58.518 61.323 -2.805 1
1 1481 . 5 2 2 B 33 33 ILE CB C 328 36.419 38.044 -1.625 1
1 1485 . 5 2 2 B 33 33 ILE N N 328 121.037 120.045 0.992 1
1 1486 . 5 2 2 B 34 34 ASN H H 329 8.672 7.532 1.140 1
1 1487 . 5 2 2 B 34 34 ASN HA H 329 5.225 4.866 0.359 1
1 1492 . 5 2 2 B 34 34 ASN CA C 329 49.359 51.631 -2.272 1
1 1493 . 5 2 2 B 34 34 ASN CB C 329 38.952 38.494 0.458 1
1 1494 . 5 2 2 B 34 34 ASN N N 329 121.624 121.283 0.341 1
1 1496 . 5 2 2 B 35 35 PRO HA H 330 4.509 4.467 0.042 1
1 1503 . 5 2 2 B 35 35 PRO CA C 330 62.553 64.799 -2.246 1
1 1504 . 5 2 2 B 35 35 PRO CB C 330 31.844 32.069 -0.225 1
1 1507 . 5 2 2 B 36 36 PHE H H 331 7.738 8.474 -0.736 1
1 1508 . 5 2 2 B 36 36 PHE HA H 331 4.836 4.897 -0.061 1
1 1514 . 5 2 2 B 36 36 PHE CA C 331 56.981 57.929 -0.948 1
1 1515 . 5 2 2 B 36 36 PHE CB C 331 39.210 38.819 0.391 1
1 1519 . 5 2 2 B 36 36 PHE N N 331 116.513 115.032 1.481 1
1 1520 . 5 2 2 B 37 37 SER H H 332 7.221 8.071 -0.850 1
1 1521 . 5 2 2 B 37 37 SER HA H 332 4.273 4.257 0.016 1
1 1524 . 5 2 2 B 37 37 SER CA C 332 61.794 61.378 0.416 1
1 1525 . 5 2 2 B 37 37 SER CB C 332 62.810 62.396 0.414 1
1 1526 . 5 2 2 B 37 37 SER N N 332 115.256 115.299 -0.043 1
1 1527 . 5 2 2 B 38 38 ALA H H 333 8.551 7.917 0.634 1
1 1528 . 5 2 2 B 38 38 ALA HA H 333 4.308 4.569 -0.261 1
1 1532 . 5 2 2 B 38 38 ALA CA C 333 54.464 54.099 0.365 1
1 1533 . 5 2 2 B 38 38 ALA CB C 333 18.148 18.157 -0.009 1
1 1534 . 5 2 2 B 38 38 ALA N N 333 123.216 124.628 -1.412 1
1 1535 . 5 2 2 B 39 39 PHE H H 334 7.842 7.937 -0.095 1
1 1536 . 5 2 2 B 39 39 PHE HA H 334 4.165 4.332 -0.167 1
1 1542 . 5 2 2 B 39 39 PHE CA C 334 60.541 60.442 0.099 1
1 1543 . 5 2 2 B 39 39 PHE CB C 334 38.703 38.801 -0.098 1
1 1547 . 5 2 2 B 39 39 PHE N N 334 117.602 115.797 1.805 1
1 1548 . 5 2 2 B 40 40 PHE H H 335 7.668 7.928 -0.260 1
1 1549 . 5 2 2 B 40 40 PHE HA H 335 4.626 4.454 0.172 1
1 1555 . 5 2 2 B 40 40 PHE CA C 335 58.997 61.998 -3.001 1
1 1556 . 5 2 2 B 40 40 PHE CB C 335 39.427 37.881 1.546 1
1 1560 . 5 2 2 B 40 40 PHE N N 335 117.267 118.415 -1.148 1
1 1561 . 5 2 2 B 41 41 GLU H H 336 8.105 8.700 -0.595 1
1 1562 . 5 2 2 B 41 41 GLU HA H 336 4.263 4.072 0.191 1
1 1567 . 5 2 2 B 41 41 GLU CA C 336 57.653 59.552 -1.899 1
1 1568 . 5 2 2 B 41 41 GLU CB C 336 30.320 29.356 0.964 1
1 1570 . 5 2 2 B 41 41 GLU N N 336 120.426 120.756 -0.330 1
1 1571 . 5 2 2 B 42 42 GLU H H 337 8.140 7.864 0.276 1
1 1572 . 5 2 2 B 42 42 GLU HA H 337 4.259 4.200 0.059 1
1 1577 . 5 2 2 B 42 42 GLU CA C 337 56.969 58.776 -1.807 1
1 1578 . 5 2 2 B 42 42 GLU CB C 337 30.018 30.183 -0.165 1
1 1580 . 5 2 2 B 42 42 GLU N N 337 120.291 119.850 0.441 1
1 1581 . 5 2 2 B 43 43 GLN H H 338 8.058 7.482 0.576 1
1 1582 . 5 2 2 B 43 43 GLN HA H 338 4.282 4.037 0.245 1
1 1587 . 5 2 2 B 43 43 GLN CA C 338 56.127 58.479 -2.352 1
1 1588 . 5 2 2 B 43 43 GLN CB C 338 29.560 26.498 3.062 1
1 1590 . 5 2 2 B 43 43 GLN N N 338 119.529 118.193 1.336 1
1 1591 . 5 2 2 B 44 44 GLU H H 339 8.254 8.567 -0.313 1
1 1592 . 5 2 2 B 44 44 GLU HA H 339 4.275 4.367 -0.092 1
1 1597 . 5 2 2 B 44 44 GLU CA C 339 56.683 56.195 0.488 1
1 1598 . 5 2 2 B 44 44 GLU N N 339 121.540 119.434 2.106 1
1 51 . 6 1 1 A 7 7 TRP H H 122 8.903 8.664 0.239 1
1 52 . 6 1 1 A 7 7 TRP HA H 122 5.048 5.815 -0.767 1
1 61 . 6 1 1 A 7 7 TRP CA C 122 54.452 57.572 -3.120 1
1 62 . 6 1 1 A 7 7 TRP CB C 122 29.834 30.452 -0.618 1
1 68 . 6 1 1 A 7 7 TRP N N 122 123.342 124.901 -1.559 1
1 70 . 6 1 1 A 8 8 ALA H H 123 8.015 7.973 0.042 1
1 71 . 6 1 1 A 8 8 ALA HA H 123 3.864 3.624 0.240 1
1 75 . 6 1 1 A 8 8 ALA CA C 123 53.436 55.115 -1.679 1
1 76 . 6 1 1 A 8 8 ALA CB C 123 19.174 17.743 1.431 1
1 77 . 6 1 1 A 8 8 ALA N N 123 128.053 129.431 -1.378 1
1 78 . 6 1 1 A 9 9 VAL H H 124 5.029 6.528 -1.499 1
1 79 . 6 1 1 A 9 9 VAL HA H 124 3.497 3.596 -0.099 1
1 87 . 6 1 1 A 9 9 VAL CA C 124 61.304 62.207 -0.903 1
1 88 . 6 1 1 A 9 9 VAL CB C 124 29.834 31.257 -1.423 1
1 91 . 6 1 1 A 9 9 VAL N N 124 113.760 117.846 -4.086 1
1 92 . 6 1 1 A 10 10 LYS H H 125 8.812 8.703 0.109 1
1 93 . 6 1 1 A 10 10 LYS HA H 125 4.383 4.547 -0.164 1
1 102 . 6 1 1 A 10 10 LYS CA C 125 54.959 53.783 1.176 1
1 103 . 6 1 1 A 10 10 LYS CB C 125 30.849 32.078 -1.229 1
1 107 . 6 1 1 A 10 10 LYS N N 125 129.016 127.917 1.099 1
1 108 . 6 1 1 A 11 11 PRO HA H 126 4.229 4.342 -0.113 1
1 115 . 6 1 1 A 11 11 PRO CA C 126 65.872 65.902 -0.030 1
1 116 . 6 1 1 A 11 11 PRO CB C 126 32.118 31.892 0.226 1
1 119 . 6 1 1 A 12 12 GLU H H 127 9.749 8.370 1.379 1
1 120 . 6 1 1 A 12 12 GLU HA H 127 4.075 4.061 0.014 1
1 125 . 6 1 1 A 12 12 GLU CA C 127 59.464 59.537 -0.073 1
1 126 . 6 1 1 A 12 12 GLU CB C 127 28.565 29.259 -0.694 1
1 128 . 6 1 1 A 12 12 GLU N N 127 117.669 117.953 -0.284 1
1 129 . 6 1 1 A 13 13 ASP H H 128 6.907 8.208 -1.301 1
1 130 . 6 1 1 A 13 13 ASP HA H 128 4.115 4.077 0.038 1
1 133 . 6 1 1 A 13 13 ASP CA C 128 56.482 56.611 -0.129 1
1 134 . 6 1 1 A 13 13 ASP CB C 128 40.239 40.437 -0.198 1
1 135 . 6 1 1 A 13 13 ASP N N 128 120.880 119.202 1.678 1
1 136 . 6 1 1 A 14 14 LYS H H 129 8.162 8.610 -0.448 1
1 137 . 6 1 1 A 14 14 LYS HA H 129 3.645 4.031 -0.386 1
1 146 . 6 1 1 A 14 14 LYS CA C 129 58.512 59.532 -1.020 1
1 147 . 6 1 1 A 14 14 LYS CB C 129 32.118 32.443 -0.325 1
1 151 . 6 1 1 A 14 14 LYS N N 129 120.161 121.479 -1.318 1
1 152 . 6 1 1 A 15 15 ALA H H 130 7.836 8.460 -0.624 1
1 153 . 6 1 1 A 15 15 ALA HA H 130 4.254 4.075 0.179 1
1 157 . 6 1 1 A 15 15 ALA CA C 130 55.213 54.916 0.297 1
1 158 . 6 1 1 A 15 15 ALA CB C 130 17.906 18.228 -0.322 1
1 159 . 6 1 1 A 15 15 ALA N N 130 118.204 119.801 -1.597 1
1 160 . 6 1 1 A 16 16 LYS H H 131 7.055 7.527 -0.472 1
1 161 . 6 1 1 A 16 16 LYS HA H 131 4.128 4.102 0.026 1
1 170 . 6 1 1 A 16 16 LYS CA C 131 59.274 58.892 0.382 1
1 171 . 6 1 1 A 16 16 LYS CB C 131 31.864 31.937 -0.073 1
1 175 . 6 1 1 A 16 16 LYS N N 131 119.703 118.598 1.105 1
1 176 . 6 1 1 A 17 17 TYR H H 132 8.606 8.317 0.289 1
1 177 . 6 1 1 A 17 17 TYR HA H 132 4.812 4.464 0.348 1
1 182 . 6 1 1 A 17 17 TYR CA C 132 58.005 61.584 -3.579 1
1 183 . 6 1 1 A 17 17 TYR CB C 132 35.417 37.707 -2.290 1
1 186 . 6 1 1 A 17 17 TYR N N 132 122.165 118.779 3.386 1
1 187 . 6 1 1 A 18 18 ASP H H 133 9.404 9.030 0.374 1
1 188 . 6 1 1 A 18 18 ASP HA H 133 4.456 4.566 -0.110 1
1 191 . 6 1 1 A 18 18 ASP CA C 133 57.497 57.635 -0.138 1
1 192 . 6 1 1 A 18 18 ASP CB C 133 40.493 41.721 -1.228 1
1 193 . 6 1 1 A 18 18 ASP N N 133 121.201 121.250 -0.049 1
1 194 . 6 1 1 A 19 19 ALA H H 134 7.360 7.752 -0.392 1
1 195 . 6 1 1 A 19 19 ALA HA H 134 4.383 4.140 0.243 1
1 199 . 6 1 1 A 19 19 ALA CA C 134 54.959 55.089 -0.130 1
1 200 . 6 1 1 A 19 19 ALA CB C 134 17.906 18.676 -0.770 1
1 201 . 6 1 1 A 19 19 ALA N N 134 120.666 121.455 -0.789 1
1 202 . 6 1 1 A 20 20 ILE H H 135 7.778 7.928 -0.150 1
1 203 . 6 1 1 A 20 20 ILE HA H 135 3.795 3.887 -0.092 1
1 213 . 6 1 1 A 20 20 ILE CA C 135 64.857 64.541 0.316 1
1 214 . 6 1 1 A 20 20 ILE CB C 135 38.463 37.682 0.781 1
1 218 . 6 1 1 A 20 20 ILE N N 135 120.238 116.798 3.440 1
1 219 . 6 1 1 A 21 21 PHE H H 136 9.262 8.702 0.560 1
1 220 . 6 1 1 A 21 21 PHE HA H 136 3.195 3.965 -0.770 1
1 226 . 6 1 1 A 21 21 PHE CA C 136 62.065 62.254 -0.189 1
1 227 . 6 1 1 A 21 21 PHE CB C 136 38.970 39.370 -0.400 1
1 231 . 6 1 1 A 21 21 PHE N N 136 123.878 123.373 0.505 1
1 232 . 6 1 1 A 22 22 ASP H H 137 8.410 8.888 -0.478 1
1 233 . 6 1 1 A 22 22 ASP HA H 137 4.287 4.473 -0.186 1
1 236 . 6 1 1 A 22 22 ASP CA C 137 57.497 57.486 0.011 1
1 237 . 6 1 1 A 22 22 ASP CB C 137 40.493 42.098 -1.605 1
1 238 . 6 1 1 A 22 22 ASP N N 137 115.420 120.237 -4.817 1
1 239 . 6 1 1 A 23 23 SER H H 138 7.946 7.773 0.173 1
1 240 . 6 1 1 A 23 23 SER HA H 138 4.475 4.273 0.202 1
1 243 . 6 1 1 A 23 23 SER CA C 138 60.543 61.943 -1.400 1
1 244 . 6 1 1 A 23 23 SER CB C 138 63.334 63.057 0.277 1
1 245 . 6 1 1 A 23 23 SER N N 138 117.133 116.225 0.908 1
1 246 . 6 1 1 A 24 24 LEU H H 139 7.338 7.650 -0.312 1
1 247 . 6 1 1 A 24 24 LEU HA H 139 4.333 4.257 0.076 1
1 257 . 6 1 1 A 24 24 LEU CA C 139 54.452 54.509 -0.057 1
1 258 . 6 1 1 A 24 24 LEU CB C 139 42.016 42.097 -0.081 1
1 262 . 6 1 1 A 24 24 LEU N N 139 123.003 118.194 4.809 1
1 263 . 6 1 1 A 25 25 SER H H 140 7.698 7.694 0.004 1
1 264 . 6 1 1 A 25 25 SER HA H 140 4.036 4.107 -0.071 1
1 268 . 6 1 1 A 25 25 SER CA C 140 58.005 59.049 -1.044 1
1 269 . 6 1 1 A 25 25 SER CB C 140 60.796 61.655 -0.859 1
1 270 . 6 1 1 A 25 25 SER N N 140 109.104 114.831 -5.727 1
1 271 . 6 1 1 A 26 26 PRO HA H 141 4.114 4.460 -0.346 1
1 278 . 6 1 1 A 26 26 PRO CA C 141 62.827 62.477 0.350 1
1 279 . 6 1 1 A 26 26 PRO CB C 141 32.650 32.718 -0.068 1
1 282 . 6 1 1 A 27 27 VAL H H 142 8.410 9.194 -0.784 1
1 283 . 6 1 1 A 27 27 VAL HA H 142 4.297 4.522 -0.225 1
1 291 . 6 1 1 A 27 27 VAL CA C 142 61.812 61.262 0.550 1
1 292 . 6 1 1 A 27 27 VAL CB C 142 33.641 32.130 1.511 1
1 295 . 6 1 1 A 27 27 VAL N N 142 120.987 120.815 0.172 1
1 296 . 6 1 1 A 28 28 ASN H H 143 9.694 9.644 0.050 1
1 297 . 6 1 1 A 28 28 ASN HA H 143 4.425 4.566 -0.141 1
1 302 . 6 1 1 A 28 28 ASN CA C 143 54.198 54.612 -0.414 1
1 303 . 6 1 1 A 28 28 ASN CB C 143 37.701 37.025 0.676 1
1 304 . 6 1 1 A 28 28 ASN N N 143 127.946 127.462 0.484 1
1 306 . 6 1 1 A 29 29 GLY H H 144 8.410 8.777 -0.367 1
1 307 . 6 1 1 A 29 29 GLY HA2 H 144 3.582 3.867 -0.285 1
1 308 . 6 1 1 A 29 29 GLY HA3 H 144 3.976 3.997 -0.021 1
1 309 . 6 1 1 A 29 29 GLY CA C 144 44.808 45.731 -0.923 1
1 310 . 6 1 1 A 29 29 GLY N N 144 99.790 105.250 -5.460 1
1 311 . 6 1 1 A 30 30 PHE H H 145 7.749 8.324 -0.575 1
1 312 . 6 1 1 A 30 30 PHE HA H 145 5.476 5.267 0.209 1
1 318 . 6 1 1 A 30 30 PHE CA C 145 56.736 56.754 -0.018 1
1 319 . 6 1 1 A 30 30 PHE CB C 145 44.554 42.669 1.885 1
1 323 . 6 1 1 A 30 30 PHE N N 145 115.206 118.367 -3.161 1
1 324 . 6 1 1 A 31 31 LEU H H 146 9.492 9.490 0.002 1
1 325 . 6 1 1 A 31 31 LEU HA H 146 4.765 5.113 -0.348 1
1 335 . 6 1 1 A 31 31 LEU CA C 146 52.929 53.266 -0.337 1
1 336 . 6 1 1 A 31 31 LEU CB C 146 45.569 44.759 0.810 1
1 340 . 6 1 1 A 31 31 LEU N N 146 121.522 123.554 -2.032 1
1 341 . 6 1 1 A 32 32 SER H H 147 7.822 8.494 -0.672 1
1 342 . 6 1 1 A 32 32 SER HA H 147 4.951 5.384 -0.433 1
1 345 . 6 1 1 A 32 32 SER CA C 147 57.243 56.363 0.880 1
1 346 . 6 1 1 A 32 32 SER CB C 147 64.603 66.564 -1.961 1
1 347 . 6 1 1 A 32 32 SER N N 147 116.938 115.307 1.631 1
1 348 . 6 1 1 A 33 33 GLY H H 148 9.072 9.054 0.018 1
1 349 . 6 1 1 A 33 33 GLY HA2 H 148 3.689 3.457 0.232 1
1 350 . 6 1 1 A 33 33 GLY HA3 H 148 3.690 3.709 -0.019 1
1 351 . 6 1 1 A 33 33 GLY CA C 148 48.614 47.320 1.294 1
1 352 . 6 1 1 A 33 33 GLY N N 148 109.104 108.597 0.507 1
1 353 . 6 1 1 A 34 34 ASP H H 149 8.600 8.271 0.329 1
1 354 . 6 1 1 A 34 34 ASP HA H 149 4.222 4.375 -0.153 1
1 357 . 6 1 1 A 34 34 ASP CA C 149 56.228 57.068 -0.840 1
1 358 . 6 1 1 A 34 34 ASP CB C 149 39.985 41.494 -1.509 1
1 359 . 6 1 1 A 34 34 ASP N N 149 117.454 121.987 -4.533 1
1 360 . 6 1 1 A 35 35 LYS H H 150 7.453 7.683 -0.230 1
1 361 . 6 1 1 A 35 35 LYS HA H 150 4.352 4.281 0.071 1
1 370 . 6 1 1 A 35 35 LYS CA C 150 57.497 57.734 -0.237 1
1 371 . 6 1 1 A 35 35 LYS CB C 150 34.402 33.352 1.050 1
1 375 . 6 1 1 A 35 35 LYS N N 150 117.347 118.043 -0.696 1
1 376 . 6 1 1 A 36 36 VAL H H 151 7.691 8.477 -0.786 1
1 377 . 6 1 1 A 36 36 VAL HA H 151 3.979 3.526 0.453 1
1 385 . 6 1 1 A 36 36 VAL CA C 151 65.365 66.945 -1.580 1
1 386 . 6 1 1 A 36 36 VAL CB C 151 33.894 31.623 2.271 1
1 389 . 6 1 1 A 36 36 VAL N N 151 116.919 120.729 -3.810 1
1 390 . 6 1 1 A 37 37 LYS H H 152 8.610 8.688 -0.078 1
1 391 . 6 1 1 A 37 37 LYS HA H 152 4.100 4.180 -0.080 1
1 399 . 6 1 1 A 37 37 LYS CA C 152 58.005 61.533 -3.528 1
1 400 . 6 1 1 A 37 37 LYS CB C 152 29.834 30.155 -0.321 1
1 404 . 6 1 1 A 37 37 LYS N N 152 120.916 120.810 0.106 1
1 405 . 6 1 1 A 38 38 PRO HA H 153 4.248 4.390 -0.142 1
1 412 . 6 1 1 A 38 38 PRO CA C 153 66.380 65.155 1.225 1
1 413 . 6 1 1 A 38 38 PRO CB C 153 31.610 31.188 0.422 1
1 416 . 6 1 1 A 39 39 VAL H H 154 7.059 7.683 -0.624 1
1 417 . 6 1 1 A 39 39 VAL HA H 154 4.100 4.797 -0.697 1
1 425 . 6 1 1 A 39 39 VAL CA C 154 65.872 62.249 3.623 1
1 426 . 6 1 1 A 39 39 VAL CB C 154 32.118 31.617 0.501 1
1 429 . 6 1 1 A 39 39 VAL N N 154 116.812 116.429 0.383 1
1 430 . 6 1 1 A 40 40 LEU H H 155 8.203 8.128 0.075 1
1 431 . 6 1 1 A 40 40 LEU HA H 155 4.206 4.371 -0.165 1
1 441 . 6 1 1 A 40 40 LEU CA C 155 62.070 55.794 6.276 1
1 442 . 6 1 1 A 40 40 LEU CB C 155 42.121 43.552 -1.431 1
1 445 . 6 1 1 A 40 40 LEU N N 155 117.561 120.750 -3.189 1
1 446 . 6 1 1 A 41 41 LEU H H 156 8.629 8.860 -0.231 1
1 447 . 6 1 1 A 41 41 LEU HA H 156 4.141 4.244 -0.103 1
1 457 . 6 1 1 A 41 41 LEU CA C 156 58.000 55.827 2.173 1
1 458 . 6 1 1 A 41 41 LEU CB C 156 41.762 40.853 0.909 1
1 462 . 6 1 1 A 42 42 ASN HA H 157 4.785 4.401 0.384 1
1 465 . 6 1 1 A 42 42 ASN CA C 157 54.959 56.585 -1.626 1
1 466 . 6 1 1 A 42 42 ASN CB C 157 37.701 38.232 -0.531 1
1 467 . 6 1 1 A 43 43 SER H H 158 7.849 7.622 0.227 1
1 468 . 6 1 1 A 43 43 SER HA H 158 3.480 4.666 -1.186 1
1 471 . 6 1 1 A 43 43 SER CA C 158 60.796 56.368 4.428 1
1 472 . 6 1 1 A 43 43 SER CB C 158 64.096 66.180 -2.084 1
1 473 . 6 1 1 A 43 43 SER N N 158 114.778 112.080 2.698 1
1 474 . 6 1 1 A 44 44 LYS H H 159 7.633 8.610 -0.977 1
1 475 . 6 1 1 A 44 44 LYS HA H 159 3.868 4.271 -0.403 1
1 484 . 6 1 1 A 44 44 LYS CA C 159 58.005 57.233 0.772 1
1 485 . 6 1 1 A 44 44 LYS CB C 159 29.341 32.053 -2.712 1
1 489 . 6 1 1 A 44 44 LYS N N 159 111.031 117.573 -6.542 1
1 490 . 6 1 1 A 45 45 LEU H H 160 7.287 7.329 -0.042 1
1 491 . 6 1 1 A 45 45 LEU HA H 160 4.421 4.375 0.046 1
1 501 . 6 1 1 A 45 45 LEU CA C 160 53.183 53.076 0.107 1
1 502 . 6 1 1 A 45 45 LEU CB C 160 41.508 41.713 -0.205 1
1 506 . 6 1 1 A 45 45 LEU N N 160 121.094 123.348 -2.254 1
1 507 . 6 1 1 A 46 46 PRO HA H 161 4.493 4.572 -0.079 1
1 514 . 6 1 1 A 46 46 PRO CA C 161 62.065 62.519 -0.454 1
1 515 . 6 1 1 A 46 46 PRO CB C 161 32.879 32.797 0.082 1
1 518 . 6 1 1 A 47 47 VAL H H 162 8.112 8.635 -0.523 1
1 519 . 6 1 1 A 47 47 VAL HA H 162 3.437 3.793 -0.356 1
1 527 . 6 1 1 A 47 47 VAL CA C 162 66.634 64.688 1.946 1
1 528 . 6 1 1 A 47 47 VAL CB C 162 28.508 31.592 -3.084 1
1 531 . 6 1 1 A 47 47 VAL N N 162 121.522 121.515 0.007 1
1 532 . 6 1 1 A 48 48 ASP H H 163 8.753 8.651 0.102 1
1 533 . 6 1 1 A 48 48 ASP HA H 163 4.582 4.301 0.281 1
1 536 . 6 1 1 A 48 48 ASP CA C 163 56.990 57.033 -0.043 1
1 537 . 6 1 1 A 48 48 ASP CB C 163 40.239 40.050 0.189 1
1 538 . 6 1 1 A 48 48 ASP N N 163 117.454 121.781 -4.327 1
1 539 . 6 1 1 A 49 49 ILE H H 164 7.051 7.749 -0.698 1
1 540 . 6 1 1 A 49 49 ILE HA H 164 3.802 3.859 -0.057 1
1 550 . 6 1 1 A 49 49 ILE CA C 164 63.081 64.405 -1.324 1
1 551 . 6 1 1 A 49 49 ILE CB C 164 36.940 37.376 -0.436 1
1 555 . 6 1 1 A 49 49 ILE N N 164 119.167 116.852 2.315 1
1 556 . 6 1 1 A 50 50 LEU H H 165 7.626 8.147 -0.521 1
1 557 . 6 1 1 A 50 50 LEU HA H 165 3.447 4.062 -0.615 1
1 567 . 6 1 1 A 50 50 LEU CA C 165 57.751 58.143 -0.392 1
1 568 . 6 1 1 A 50 50 LEU CB C 165 40.239 41.707 -1.468 1
1 572 . 6 1 1 A 50 50 LEU N N 165 119.274 121.982 -2.708 1
1 573 . 6 1 1 A 51 51 GLY H H 166 8.744 8.724 0.020 1
1 574 . 6 1 1 A 51 51 GLY HA2 H 166 3.480 3.756 -0.276 1
1 575 . 6 1 1 A 51 51 GLY HA3 H 166 2.888 3.788 -0.900 1
1 576 . 6 1 1 A 51 51 GLY CA C 166 46.584 47.334 -0.750 1
1 577 . 6 1 1 A 51 51 GLY N N 166 104.501 106.631 -2.130 1
1 578 . 6 1 1 A 52 52 ARG H H 167 7.189 7.982 -0.793 1
1 579 . 6 1 1 A 52 52 ARG HA H 167 3.977 4.085 -0.108 1
1 586 . 6 1 1 A 52 52 ARG CA C 167 59.527 60.026 -0.499 1
1 587 . 6 1 1 A 52 52 ARG CB C 167 29.834 30.158 -0.324 1
1 590 . 6 1 1 A 52 52 ARG N N 167 122.700 122.155 0.545 1
1 591 . 6 1 1 A 53 53 VAL H H 168 8.411 8.477 -0.066 1
1 592 . 6 1 1 A 53 53 VAL HA H 168 3.390 3.663 -0.273 1
1 600 . 6 1 1 A 53 53 VAL CA C 168 67.395 66.639 0.756 1
1 601 . 6 1 1 A 53 53 VAL CB C 168 31.103 31.656 -0.553 1
1 604 . 6 1 1 A 53 53 VAL N N 168 119.596 120.371 -0.775 1
1 605 . 6 1 1 A 54 54 TRP H H 169 8.573 8.570 0.003 1
1 606 . 6 1 1 A 54 54 TRP HA H 169 3.738 4.150 -0.412 1
1 615 . 6 1 1 A 54 54 TRP CA C 169 61.812 61.161 0.651 1
1 616 . 6 1 1 A 54 54 TRP CB C 169 27.550 29.704 -2.154 1
1 622 . 6 1 1 A 54 54 TRP N N 169 121.308 121.122 0.186 1
1 624 . 6 1 1 A 55 55 GLU H H 170 7.783 8.476 -0.693 1
1 625 . 6 1 1 A 55 55 GLU HA H 170 4.030 4.072 -0.042 1
1 630 . 6 1 1 A 55 55 GLU CA C 170 59.020 58.763 0.257 1
1 631 . 6 1 1 A 55 55 GLU CB C 170 30.088 29.584 0.504 1
1 633 . 6 1 1 A 55 55 GLU N N 170 116.384 120.068 -3.684 1
1 634 . 6 1 1 A 56 56 LEU H H 171 8.005 8.131 -0.126 1
1 635 . 6 1 1 A 56 56 LEU HA H 171 4.003 4.199 -0.196 1
1 645 . 6 1 1 A 56 56 LEU CA C 171 56.736 57.216 -0.480 1
1 646 . 6 1 1 A 56 56 LEU CB C 171 43.539 42.147 1.392 1
1 650 . 6 1 1 A 56 56 LEU N N 171 115.771 119.993 -4.222 1
1 651 . 6 1 1 A 57 57 SER H H 172 7.501 8.619 -1.118 1
1 652 . 6 1 1 A 57 57 SER HA H 172 4.154 4.183 -0.029 1
1 655 . 6 1 1 A 57 57 SER CA C 172 61.812 61.210 0.602 1
1 656 . 6 1 1 A 57 57 SER CB C 172 63.588 62.959 0.629 1
1 657 . 6 1 1 A 57 57 SER N N 172 112.209 113.570 -1.361 1
1 658 . 6 1 1 A 58 58 ASP H H 173 7.592 7.529 0.063 1
1 659 . 6 1 1 A 58 58 ASP HA H 173 4.550 4.442 0.108 1
1 662 . 6 1 1 A 58 58 ASP CA C 173 51.914 53.309 -1.395 1
1 663 . 6 1 1 A 58 58 ASP CB C 173 36.940 40.197 -3.257 1
1 664 . 6 1 1 A 58 58 ASP N N 173 117.133 119.958 -2.825 1
1 665 . 6 1 1 A 59 59 ILE H H 174 8.078 7.839 0.239 1
1 666 . 6 1 1 A 59 59 ILE HA H 174 3.354 3.790 -0.436 1
1 676 . 6 1 1 A 59 59 ILE CA C 174 64.857 65.218 -0.361 1
1 677 . 6 1 1 A 59 59 ILE CB C 174 39.985 37.989 1.996 1
1 681 . 6 1 1 A 59 59 ILE N N 174 128.160 125.134 3.026 1
1 682 . 6 1 1 A 60 60 ASP H H 175 7.795 8.267 -0.472 1
1 683 . 6 1 1 A 60 60 ASP HA H 175 4.361 4.663 -0.302 1
1 686 . 6 1 1 A 60 60 ASP CA C 175 52.167 53.183 -1.016 1
1 687 . 6 1 1 A 60 60 ASP CB C 175 39.732 40.111 -0.379 1
1 688 . 6 1 1 A 60 60 ASP N N 175 113.493 117.449 -3.956 1
1 689 . 6 1 1 A 61 61 HIS H H 176 7.521 8.084 -0.563 1
1 690 . 6 1 1 A 61 61 HIS HA H 176 4.236 4.513 -0.277 1
1 694 . 6 1 1 A 61 61 HIS CA C 176 56.228 56.895 -0.667 1
1 695 . 6 1 1 A 61 61 HIS CB C 176 26.534 26.707 -0.173 1
1 697 . 6 1 1 A 61 61 HIS N N 176 112.637 113.902 -1.265 1
1 698 . 6 1 1 A 62 62 ASP H H 177 8.547 7.902 0.645 1
1 699 . 6 1 1 A 62 62 ASP HA H 177 4.769 4.532 0.237 1
1 702 . 6 1 1 A 62 62 ASP CA C 177 53.436 53.422 0.014 1
1 703 . 6 1 1 A 62 62 ASP CB C 177 40.747 40.378 0.369 1
1 704 . 6 1 1 A 62 62 ASP N N 177 118.739 119.236 -0.497 1
1 705 . 6 1 1 A 63 63 GLY H H 178 10.793 9.121 1.672 1
1 706 . 6 1 1 A 63 63 GLY HA2 H 178 4.398 4.056 0.342 1
1 707 . 6 1 1 A 63 63 GLY HA3 H 178 3.946 4.189 -0.243 1
1 708 . 6 1 1 A 63 63 GLY CA C 178 46.330 45.694 0.636 1
1 709 . 6 1 1 A 63 63 GLY N N 178 112.958 111.103 1.855 1
1 710 . 6 1 1 A 64 64 MET H H 179 8.337 7.740 0.597 1
1 711 . 6 1 1 A 64 64 MET HA H 179 5.360 5.111 0.249 1
1 719 . 6 1 1 A 64 64 MET CA C 179 52.929 54.232 -1.303 1
1 720 . 6 1 1 A 64 64 MET CB C 179 36.432 37.516 -1.084 1
1 722 . 6 1 1 A 64 64 MET N N 179 118.525 119.645 -1.120 1
1 723 . 6 1 1 A 65 65 LEU H H 180 9.471 9.650 -0.179 1
1 724 . 6 1 1 A 65 65 LEU HA H 180 5.838 5.097 0.741 1
1 734 . 6 1 1 A 65 65 LEU CA C 180 53.436 53.578 -0.142 1
1 735 . 6 1 1 A 65 65 LEU CB C 180 43.285 43.117 0.168 1
1 739 . 6 1 1 A 65 65 LEU N N 180 120.987 122.926 -1.939 1
1 740 . 6 1 1 A 66 66 ASP H H 181 9.203 8.568 0.635 1
1 741 . 6 1 1 A 66 66 ASP HA H 181 5.378 4.808 0.570 1
1 744 . 6 1 1 A 66 66 ASP CA C 181 51.914 52.509 -0.595 1
1 745 . 6 1 1 A 66 66 ASP CB C 181 40.493 40.586 -0.093 1
1 746 . 6 1 1 A 66 66 ASP N N 181 124.306 125.759 -1.453 1
1 747 . 6 1 1 A 67 67 ARG H H 182 8.130 8.275 -0.145 1
1 748 . 6 1 1 A 67 67 ARG HA H 182 2.758 3.023 -0.265 1
1 755 . 6 1 1 A 67 67 ARG CA C 182 60.543 59.237 1.306 1
1 756 . 6 1 1 A 67 67 ARG CB C 182 30.595 29.469 1.126 1
1 759 . 6 1 1 A 67 67 ARG N N 182 117.454 120.573 -3.119 1
1 760 . 6 1 1 A 68 68 ASP H H 183 7.871 8.272 -0.401 1
1 761 . 6 1 1 A 68 68 ASP HA H 183 4.748 4.699 0.049 1
1 764 . 6 1 1 A 68 68 ASP CA C 183 57.497 56.984 0.513 1
1 765 . 6 1 1 A 68 68 ASP CB C 183 40.747 40.590 0.157 1
1 766 . 6 1 1 A 68 68 ASP N N 183 119.703 119.481 0.222 1
1 767 . 6 1 1 A 69 69 GLU H H 184 8.775 8.119 0.656 1
1 768 . 6 1 1 A 69 69 GLU HA H 184 3.975 4.124 -0.149 1
1 773 . 6 1 1 A 69 69 GLU CA C 184 59.781 59.515 0.266 1
1 774 . 6 1 1 A 69 69 GLU CB C 184 31.762 29.612 2.150 1
1 776 . 6 1 1 A 69 69 GLU N N 184 120.987 120.547 0.440 1
1 777 . 6 1 1 A 70 70 PHE H H 185 9.331 8.915 0.416 1
1 778 . 6 1 1 A 70 70 PHE HA H 185 4.198 4.138 0.060 1
1 784 . 6 1 1 A 70 70 PHE CA C 185 61.812 61.636 0.176 1
1 785 . 6 1 1 A 70 70 PHE CB C 185 39.957 38.958 0.999 1
1 788 . 6 1 1 A 70 70 PHE N N 185 118.632 121.688 -3.056 1
1 789 . 6 1 1 A 71 71 ALA H H 186 7.622 8.182 -0.560 1
1 790 . 6 1 1 A 71 71 ALA HA H 186 3.991 4.156 -0.165 1
1 794 . 6 1 1 A 71 71 ALA CA C 186 55.213 55.246 -0.033 1
1 795 . 6 1 1 A 71 71 ALA CB C 186 18.921 18.270 0.651 1
1 796 . 6 1 1 A 71 71 ALA N N 186 120.131 121.335 -1.204 1
1 797 . 6 1 1 A 72 72 VAL H H 187 7.670 7.949 -0.279 1
1 798 . 6 1 1 A 72 72 VAL HA H 187 3.438 3.393 0.045 1
1 806 . 6 1 1 A 72 72 VAL CA C 187 67.617 66.571 1.046 1
1 807 . 6 1 1 A 72 72 VAL CB C 187 31.357 31.567 -0.210 1
1 810 . 6 1 1 A 72 72 VAL N N 187 117.776 119.545 -1.769 1
1 811 . 6 1 1 A 73 73 ALA H H 188 8.040 8.138 -0.098 1
1 812 . 6 1 1 A 73 73 ALA HA H 188 3.892 3.896 -0.004 1
1 816 . 6 1 1 A 73 73 ALA CA C 188 55.974 55.503 0.471 1
1 817 . 6 1 1 A 73 73 ALA CB C 188 16.637 18.415 -1.778 1
1 818 . 6 1 1 A 73 73 ALA N N 188 122.058 121.825 0.233 1
1 819 . 6 1 1 A 74 74 MET H H 189 7.908 8.055 -0.147 1
1 820 . 6 1 1 A 74 74 MET HA H 189 3.900 3.817 0.083 1
1 828 . 6 1 1 A 74 74 MET CA C 189 55.974 58.157 -2.183 1
1 829 . 6 1 1 A 74 74 MET CB C 189 29.072 31.256 -2.184 1
1 832 . 6 1 1 A 74 74 MET N N 189 114.029 116.799 -2.770 1
1 833 . 6 1 1 A 75 75 PHE H H 190 8.298 7.652 0.646 1
1 834 . 6 1 1 A 75 75 PHE HA H 190 4.245 4.355 -0.110 1
1 840 . 6 1 1 A 75 75 PHE CA C 190 61.812 61.365 0.447 1
1 841 . 6 1 1 A 75 75 PHE CB C 190 39.732 39.252 0.480 1
1 844 . 6 1 1 A 75 75 PHE N N 190 121.174 121.970 -0.796 1
1 845 . 6 1 1 A 76 76 LEU H H 191 8.761 8.126 0.635 1
1 846 . 6 1 1 A 76 76 LEU HA H 191 3.987 3.958 0.029 1
1 856 . 6 1 1 A 76 76 LEU CA C 191 58.005 57.577 0.428 1
1 857 . 6 1 1 A 76 76 LEU CB C 191 43.792 41.260 2.532 1
1 859 . 6 1 1 A 76 76 LEU N N 191 119.596 119.441 0.155 1
1 860 . 6 1 1 A 77 77 VAL H H 192 8.392 7.894 0.498 1
1 861 . 6 1 1 A 77 77 VAL HA H 192 3.205 3.515 -0.310 1
1 869 . 6 1 1 A 77 77 VAL CA C 192 67.395 66.180 1.215 1
1 870 . 6 1 1 A 77 77 VAL CB C 192 30.595 31.703 -1.108 1
1 873 . 6 1 1 A 77 77 VAL N N 192 120.773 119.925 0.848 1
1 874 . 6 1 1 A 78 78 TYR H H 193 8.617 7.949 0.668 1
1 875 . 6 1 1 A 78 78 TYR HA H 193 3.916 4.365 -0.449 1
1 880 . 6 1 1 A 78 78 TYR CA C 193 64.350 59.978 4.372 1
1 881 . 6 1 1 A 78 78 TYR CB C 193 36.940 37.212 -0.272 1
1 884 . 6 1 1 A 78 78 TYR N N 193 118.418 118.395 0.023 1
1 885 . 6 1 1 A 79 79 CYS H H 194 7.979 7.858 0.121 1
1 886 . 6 1 1 A 79 79 CYS HA H 194 3.980 3.950 0.030 1
1 889 . 6 1 1 A 79 79 CYS CA C 194 63.842 62.126 1.716 1
1 890 . 6 1 1 A 79 79 CYS CB C 194 25.773 26.855 -1.082 1
1 891 . 6 1 1 A 79 79 CYS N N 194 117.133 118.578 -1.445 1
1 892 . 6 1 1 A 80 80 ALA H H 195 7.979 7.519 0.460 1
1 893 . 6 1 1 A 80 80 ALA HA H 195 4.372 4.072 0.300 1
1 897 . 6 1 1 A 80 80 ALA CA C 195 54.959 55.000 -0.041 1
1 898 . 6 1 1 A 80 80 ALA CB C 195 17.906 18.417 -0.511 1
1 899 . 6 1 1 A 80 80 ALA N N 195 123.128 122.924 0.204 1
1 900 . 6 1 1 A 81 81 LEU H H 196 8.620 7.999 0.621 1
1 901 . 6 1 1 A 81 81 LEU HA H 196 3.957 4.000 -0.043 1
1 911 . 6 1 1 A 81 81 LEU CA C 196 57.497 57.627 -0.130 1
1 912 . 6 1 1 A 81 81 LEU CB C 196 40.747 41.519 -0.772 1
1 916 . 6 1 1 A 81 81 LEU N N 196 123.021 120.102 2.919 1
1 917 . 6 1 1 A 82 82 GLU H H 197 7.483 8.182 -0.699 1
1 918 . 6 1 1 A 82 82 GLU HA H 197 4.497 4.252 0.245 1
1 923 . 6 1 1 A 82 82 GLU CA C 197 56.418 55.665 0.753 1
1 924 . 6 1 1 A 82 82 GLU CB C 197 28.819 28.654 0.165 1
1 926 . 6 1 1 A 82 82 GLU N N 197 118.311 115.539 2.772 1
1 927 . 6 1 1 A 83 83 LYS H H 198 7.832 7.545 0.287 1
1 928 . 6 1 1 A 83 83 LYS HA H 198 3.805 3.759 0.046 1
1 937 . 6 1 1 A 83 83 LYS CA C 198 57.497 57.305 0.192 1
1 938 . 6 1 1 A 83 83 LYS CB C 198 28.057 29.311 -1.254 1
1 942 . 6 1 1 A 83 83 LYS N N 198 111.674 115.108 -3.434 1
1 943 . 6 1 1 A 84 84 GLU H H 199 8.098 8.081 0.017 1
1 944 . 6 1 1 A 84 84 GLU HA H 199 4.635 4.788 -0.153 1
1 949 . 6 1 1 A 84 84 GLU CA C 199 53.944 52.952 0.992 1
1 950 . 6 1 1 A 84 84 GLU CB C 199 29.580 31.443 -1.863 1
1 952 . 6 1 1 A 84 84 GLU N N 199 121.737 118.891 2.846 1
1 953 . 6 1 1 A 85 85 PRO HA H 200 4.344 4.410 -0.066 1
1 960 . 6 1 1 A 85 85 PRO CA C 200 62.065 63.300 -1.235 1
1 961 . 6 1 1 A 85 85 PRO CB C 200 32.118 32.022 0.096 1
1 964 . 6 1 1 A 86 86 VAL H H 201 8.534 8.416 0.118 1
1 965 . 6 1 1 A 86 86 VAL HA H 201 4.275 4.470 -0.195 1
1 973 . 6 1 1 A 86 86 VAL CA C 201 60.035 59.134 0.901 1
1 974 . 6 1 1 A 86 86 VAL CB C 201 32.118 32.171 -0.053 1
1 977 . 6 1 1 A 86 86 VAL N N 201 125.055 123.517 1.538 1
1 978 . 6 1 1 A 87 87 PRO HA H 202 4.571 4.656 -0.085 1
1 985 . 6 1 1 A 87 87 PRO CA C 202 62.827 63.026 -0.199 1
1 986 . 6 1 1 A 87 87 PRO CB C 202 32.879 31.966 0.913 1
1 989 . 6 1 1 A 88 88 MET H H 203 8.536 8.899 -0.363 1
1 990 . 6 1 1 A 88 88 MET HA H 203 4.437 4.583 -0.146 1
1 998 . 6 1 1 A 88 88 MET CA C 203 55.974 56.107 -0.133 1
1 999 . 6 1 1 A 88 88 MET CB C 203 32.372 32.213 0.159 1
1 1001 . 6 1 1 A 88 88 MET N N 203 114.671 120.320 -5.649 1
1 1002 . 6 1 1 A 89 89 SER H H 204 7.588 7.660 -0.072 1
1 1003 . 6 1 1 A 89 89 SER HA H 204 4.482 4.874 -0.392 1
1 1006 . 6 1 1 A 89 89 SER CA C 204 56.482 56.045 0.437 1
1 1007 . 6 1 1 A 89 89 SER CB C 204 65.111 66.080 -0.969 1
1 1008 . 6 1 1 A 89 89 SER N N 204 110.603 114.520 -3.917 1
1 1009 . 6 1 1 A 90 90 LEU H H 205 9.188 8.267 0.921 1
1 1010 . 6 1 1 A 90 90 LEU HA H 205 4.314 4.433 -0.119 1
1 1020 . 6 1 1 A 90 90 LEU CA C 205 53.436 53.069 0.367 1
1 1021 . 6 1 1 A 90 90 LEU CB C 205 41.785 42.791 -1.006 1
1 1024 . 6 1 1 A 90 90 LEU N N 205 124.627 126.417 -1.790 1
1 1025 . 6 1 1 A 91 91 PRO HA H 206 4.794 4.789 0.005 1
1 1032 . 6 1 1 A 91 91 PRO CA C 206 61.304 62.055 -0.751 1
1 1033 . 6 1 1 A 91 91 PRO CB C 206 31.116 31.631 -0.515 1
1 1036 . 6 1 1 A 92 92 PRO HA H 207 4.221 4.255 -0.034 1
1 1043 . 6 1 1 A 92 92 PRO CA C 207 66.057 65.041 1.016 1
1 1044 . 6 1 1 A 92 92 PRO CB C 207 31.889 31.942 -0.053 1
1 1047 . 6 1 1 A 93 93 ALA H H 208 8.509 8.175 0.334 1
1 1048 . 6 1 1 A 93 93 ALA HA H 208 4.181 4.142 0.039 1
1 1052 . 6 1 1 A 93 93 ALA CA C 208 54.198 54.571 -0.373 1
1 1053 . 6 1 1 A 93 93 ALA CB C 208 18.413 18.525 -0.112 1
1 1054 . 6 1 1 A 93 93 ALA N N 208 115.742 119.762 -4.020 1
1 1055 . 6 1 1 A 94 94 LEU H H 209 8.225 7.896 0.329 1
1 1056 . 6 1 1 A 94 94 LEU HA H 209 4.341 4.479 -0.138 1
1 1066 . 6 1 1 A 94 94 LEU CA C 209 54.452 53.829 0.623 1
1 1067 . 6 1 1 A 94 94 LEU CB C 209 43.285 41.881 1.404 1
1 1071 . 6 1 1 A 94 94 LEU N N 209 118.204 110.981 7.223 1
1 1072 . 6 1 1 A 95 95 VAL H H 210 7.400 7.599 -0.199 1
1 1073 . 6 1 1 A 95 95 VAL HA H 210 3.762 4.603 -0.841 1
1 1081 . 6 1 1 A 95 95 VAL CA C 210 61.812 60.049 1.763 1
1 1082 . 6 1 1 A 95 95 VAL CB C 210 32.118 32.834 -0.716 1
1 1085 . 6 1 1 A 95 95 VAL N N 210 123.021 121.430 1.591 1
1 1089 . 6 1 1 A 97 97 PRO HA H 212 3.641 4.193 -0.552 1
1 1096 . 6 1 1 A 97 97 PRO CA C 212 66.126 65.368 0.758 1
1 1097 . 6 1 1 A 97 97 PRO CB C 212 31.864 31.834 0.030 1
1 1100 . 6 1 1 A 98 98 SER H H 213 8.243 8.128 0.115 1
1 1101 . 6 1 1 A 98 98 SER HA H 213 4.124 4.239 -0.115 1
1 1104 . 6 1 1 A 98 98 SER CA C 213 59.781 60.196 -0.415 1
1 1105 . 6 1 1 A 98 98 SER CB C 213 62.573 63.047 -0.474 1
1 1106 . 6 1 1 A 98 98 SER N N 213 110.924 111.689 -0.765 1
1 1107 . 6 1 1 A 99 99 LYS H H 214 8.125 8.067 0.058 1
1 1108 . 6 1 1 A 99 99 LYS HA H 214 4.563 4.489 0.074 1
1 1117 . 6 1 1 A 99 99 LYS CA C 214 54.198 55.470 -1.272 1
1 1118 . 6 1 1 A 99 99 LYS CB C 214 32.879 32.449 0.430 1
1 1122 . 6 1 1 A 99 99 LYS N N 214 120.024 117.596 2.428 1
1 1180 . 6 2 2 B 7 7 SER HA H 302 4.483 4.368 0.115 1
1 1183 . 6 2 2 B 7 7 SER CA C 302 58.429 59.910 -1.481 1
1 1184 . 6 2 2 B 7 7 SER CB C 302 63.758 62.909 0.849 1
1 1185 . 6 2 2 B 8 8 VAL H H 303 8.238 7.804 0.434 1
1 1186 . 6 2 2 B 8 8 VAL HA H 303 4.252 4.423 -0.171 1
1 1194 . 6 2 2 B 8 8 VAL CA C 303 62.311 61.018 1.293 1
1 1195 . 6 2 2 B 8 8 VAL CB C 303 32.824 32.788 0.036 1
1 1198 . 6 2 2 B 8 8 VAL N N 303 121.875 121.021 0.854 1
1 1199 . 6 2 2 B 9 9 THR H H 304 8.221 7.835 0.386 1
1 1200 . 6 2 2 B 9 9 THR HA H 304 4.369 4.136 0.233 1
1 1205 . 6 2 2 B 9 9 THR CA C 304 61.795 64.286 -2.491 1
1 1206 . 6 2 2 B 9 9 THR CB C 304 69.666 69.634 0.032 1
1 1208 . 6 2 2 B 9 9 THR N N 304 117.435 116.832 0.603 1
1 1209 . 6 2 2 B 10 10 GLU H H 305 8.342 7.631 0.711 1
1 1210 . 6 2 2 B 10 10 GLU HA H 305 4.292 4.631 -0.339 1
1 1215 . 6 2 2 B 10 10 GLU CA C 305 56.488 55.216 1.272 1
1 1216 . 6 2 2 B 10 10 GLU CB C 305 30.344 31.776 -1.432 1
1 1218 . 6 2 2 B 10 10 GLU N N 305 123.467 115.849 7.618 1
1 1219 . 6 2 2 B 11 11 ALA H H 306 8.299 8.497 -0.198 1
1 1220 . 6 2 2 B 11 11 ALA HA H 306 4.330 4.775 -0.445 1
1 1224 . 6 2 2 B 11 11 ALA CA C 306 52.164 50.952 1.212 1
1 1225 . 6 2 2 B 11 11 ALA CB C 306 19.377 19.449 -0.072 1
1 1226 . 6 2 2 B 11 11 ALA N N 306 124.975 121.919 3.056 1
1 1227 . 6 2 2 B 12 12 SER H H 307 8.304 7.611 0.693 1
1 1228 . 6 2 2 B 12 12 SER HA H 307 4.628 4.643 -0.015 1
1 1231 . 6 2 2 B 12 12 SER CA C 307 56.214 56.125 0.089 1
1 1232 . 6 2 2 B 12 12 SER CB C 307 63.419 64.168 -0.749 1
1 1233 . 6 2 2 B 12 12 SER N N 307 116.597 115.173 1.424 1
1 1234 . 6 2 2 B 13 13 PRO HA H 308 4.395 4.549 -0.154 1
1 1241 . 6 2 2 B 13 13 PRO CA C 308 63.060 63.399 -0.339 1
1 1242 . 6 2 2 B 13 13 PRO CB C 308 31.844 32.036 -0.192 1
1 1245 . 6 2 2 B 14 14 TRP H H 309 8.038 7.270 0.768 1
1 1246 . 6 2 2 B 14 14 TRP HA H 309 4.930 5.079 -0.149 1
1 1255 . 6 2 2 B 14 14 TRP CA C 309 54.944 56.245 -1.301 1
1 1256 . 6 2 2 B 14 14 TRP CB C 309 30.324 33.233 -2.909 1
1 1262 . 6 2 2 B 14 14 TRP N N 309 121.372 120.132 1.240 1
1 1264 . 6 2 2 B 15 15 ARG H H 310 8.827 8.794 0.033 1
1 1265 . 6 2 2 B 15 15 ARG HA H 310 4.336 4.528 -0.192 1
1 1272 . 6 2 2 B 15 15 ARG CA C 310 56.617 55.608 1.009 1
1 1273 . 6 2 2 B 15 15 ARG CB C 310 31.336 29.646 1.690 1
1 1276 . 6 2 2 B 15 15 ARG N N 310 122.043 121.567 0.476 1
1 1277 . 6 2 2 B 16 16 ALA H H 311 8.551 7.985 0.566 1
1 1278 . 6 2 2 B 16 16 ALA HA H 311 4.140 4.003 0.137 1
1 1282 . 6 2 2 B 16 16 ALA CA C 311 54.460 55.072 -0.612 1
1 1283 . 6 2 2 B 16 16 ALA CB C 311 18.884 16.813 2.071 1
1 1284 . 6 2 2 B 16 16 ALA N N 311 120.702 118.656 2.046 1
1 1285 . 6 2 2 B 17 17 THR H H 312 7.286 8.881 -1.595 1
1 1286 . 6 2 2 B 17 17 THR HA H 312 4.219 4.206 0.013 1
1 1291 . 6 2 2 B 17 17 THR CA C 312 60.544 64.335 -3.791 1
1 1292 . 6 2 2 B 17 17 THR CB C 312 68.647 68.597 0.050 1
1 1294 . 6 2 2 B 17 17 THR N N 312 124.807 109.603 15.204 1
1 1295 . 6 2 2 B 18 18 ASN H H 313 7.918 7.911 0.007 1
1 1296 . 6 2 2 B 18 18 ASN HA H 313 4.269 4.979 -0.710 1
1 1301 . 6 2 2 B 18 18 ASN CA C 313 50.640 50.784 -0.144 1
1 1302 . 6 2 2 B 18 18 ASN CB C 313 39.462 40.176 -0.714 1
1 1303 . 6 2 2 B 18 18 ASN N N 313 123.467 121.970 1.497 1
1 1305 . 6 2 2 B 19 19 PRO HA H 314 4.135 4.482 -0.347 1
1 1312 . 6 2 2 B 19 19 PRO CA C 314 63.314 63.603 -0.289 1
1 1313 . 6 2 2 B 19 19 PRO CB C 314 31.336 32.922 -1.586 1
1 1316 . 6 2 2 B 20 20 PHE H H 315 8.568 8.214 0.354 1
1 1317 . 6 2 2 B 20 20 PHE HA H 315 4.144 4.504 -0.360 1
1 1323 . 6 2 2 B 20 20 PHE CA C 315 59.513 57.783 1.730 1
1 1324 . 6 2 2 B 20 20 PHE CB C 315 37.658 40.051 -2.393 1
1 1328 . 6 2 2 B 20 20 PHE N N 315 116.848 117.541 -0.693 1
1 1329 . 6 2 2 B 21 21 LEU H H 316 7.332 7.748 -0.416 1
1 1330 . 6 2 2 B 21 21 LEU HA H 316 4.393 4.394 -0.001 1
1 1340 . 6 2 2 B 21 21 LEU CA C 316 55.961 57.140 -1.179 1
1 1341 . 6 2 2 B 21 21 LEU CB C 316 43.017 41.533 1.484 1
1 1345 . 6 2 2 B 21 21 LEU N N 316 120.283 116.676 3.607 1
1 1346 . 6 2 2 B 22 22 ASN H H 317 8.010 8.258 -0.248 1
1 1347 . 6 2 2 B 22 22 ASN HA H 317 4.613 4.868 -0.255 1
1 1352 . 6 2 2 B 22 22 ASN CA C 317 53.224 52.465 0.759 1
1 1353 . 6 2 2 B 22 22 ASN CB C 317 38.714 37.863 0.851 1
1 1354 . 6 2 2 B 22 22 ASN N N 317 117.602 116.099 1.503 1
1 1356 . 6 2 2 B 23 23 GLU H H 318 8.344 8.134 0.210 1
1 1357 . 6 2 2 B 23 23 GLU HA H 318 4.373 4.674 -0.301 1
1 1362 . 6 2 2 B 23 23 GLU CA C 318 56.974 55.227 1.747 1
1 1363 . 6 2 2 B 23 23 GLU CB C 318 30.323 30.820 -0.497 1
1 1365 . 6 2 2 B 23 23 GLU N N 318 121.523 117.924 3.599 1
1 1366 . 6 2 2 B 24 24 THR H H 319 8.295 8.589 -0.294 1
1 1367 . 6 2 2 B 24 24 THR HA H 319 4.398 3.962 0.436 1
1 1372 . 6 2 2 B 24 24 THR CA C 319 61.940 66.081 -4.141 1
1 1373 . 6 2 2 B 24 24 THR CB C 319 70.138 66.647 3.491 1
1 1375 . 6 2 2 B 24 24 THR N N 319 115.089 111.268 3.821 1
1 1376 . 6 2 2 B 25 25 LEU H H 320 8.639 8.685 -0.046 1
1 1377 . 6 2 2 B 25 25 LEU HA H 320 4.237 4.090 0.147 1
1 1387 . 6 2 2 B 25 25 LEU CA C 320 55.196 58.289 -3.093 1
1 1388 . 6 2 2 B 25 25 LEU CB C 320 40.733 41.264 -0.531 1
1 1392 . 6 2 2 B 25 25 LEU N N 320 122.143 120.003 2.140 1
1 1393 . 6 2 2 B 26 26 GLN H H 321 8.121 7.515 0.606 1
1 1394 . 6 2 2 B 26 26 GLN HA H 321 4.217 4.629 -0.412 1
1 1401 . 6 2 2 B 26 26 GLN CA C 321 56.987 54.755 2.232 1
1 1402 . 6 2 2 B 26 26 GLN CB C 321 29.309 28.378 0.931 1
1 1404 . 6 2 2 B 26 26 GLN N N 321 119.864 116.400 3.464 1
1 1406 . 6 2 2 B 27 27 ASP H H 322 8.489 8.927 -0.438 1
1 1407 . 6 2 2 B 27 27 ASP HA H 322 4.656 4.903 -0.247 1
1 1410 . 6 2 2 B 27 27 ASP CA C 322 54.170 54.661 -0.491 1
1 1411 . 6 2 2 B 27 27 ASP CB C 322 40.758 43.555 -2.797 1
1 1412 . 6 2 2 B 27 27 ASP N N 322 119.864 123.239 -3.375 1
1 1413 . 6 2 2 B 28 28 VAL H H 323 7.588 7.334 0.254 1
1 1414 . 6 2 2 B 28 28 VAL HA H 323 4.094 4.164 -0.070 1
1 1422 . 6 2 2 B 28 28 VAL CA C 323 61.797 62.639 -0.842 1
1 1423 . 6 2 2 B 28 28 VAL CB C 323 32.915 29.826 3.089 1
1 1426 . 6 2 2 B 28 28 VAL N N 323 119.446 120.769 -1.323 1
1 1427 . 6 2 2 B 29 29 GLN H H 324 8.451 8.393 0.058 1
1 1428 . 6 2 2 B 29 29 GLN HA H 324 4.633 4.806 -0.173 1
1 1435 . 6 2 2 B 29 29 GLN CA C 324 53.138 53.273 -0.135 1
1 1436 . 6 2 2 B 29 29 GLN CB C 324 28.795 29.594 -0.799 1
1 1438 . 6 2 2 B 29 29 GLN N N 324 125.897 126.129 -0.232 1
1 1440 . 6 2 2 B 30 30 PRO HA H 325 4.486 4.762 -0.276 1
1 1447 . 6 2 2 B 30 30 PRO CA C 325 62.553 62.421 0.132 1
1 1448 . 6 2 2 B 30 30 PRO CB C 325 32.316 33.018 -0.702 1
1 1451 . 6 2 2 B 31 31 SER H H 326 7.858 8.448 -0.590 1
1 1452 . 6 2 2 B 31 31 SER HA H 326 4.734 5.079 -0.345 1
1 1455 . 6 2 2 B 31 31 SER CA C 326 55.447 55.433 0.014 1
1 1456 . 6 2 2 B 31 31 SER CB C 326 63.822 64.475 -0.653 1
1 1457 . 6 2 2 B 31 31 SER N N 326 115.759 114.144 1.615 1
1 1458 . 6 2 2 B 32 32 PRO HA H 327 4.554 4.535 0.019 1
1 1465 . 6 2 2 B 32 32 PRO CA C 327 64.076 63.714 0.362 1
1 1466 . 6 2 2 B 32 32 PRO CB C 327 32.098 31.725 0.373 1
1 1469 . 6 2 2 B 33 33 ILE H H 328 8.233 7.566 0.667 1
1 1470 . 6 2 2 B 33 33 ILE HA H 328 3.829 4.442 -0.613 1
1 1480 . 6 2 2 B 33 33 ILE CA C 328 58.518 60.928 -2.410 1
1 1481 . 6 2 2 B 33 33 ILE CB C 328 36.419 39.006 -2.587 1
1 1485 . 6 2 2 B 33 33 ILE N N 328 121.037 118.810 2.227 1
1 1486 . 6 2 2 B 34 34 ASN H H 329 8.672 7.525 1.147 1
1 1487 . 6 2 2 B 34 34 ASN HA H 329 5.225 4.838 0.387 1
1 1492 . 6 2 2 B 34 34 ASN CA C 329 49.359 50.891 -1.532 1
1 1493 . 6 2 2 B 34 34 ASN CB C 329 38.952 38.978 -0.026 1
1 1494 . 6 2 2 B 34 34 ASN N N 329 121.624 120.982 0.642 1
1 1496 . 6 2 2 B 35 35 PRO HA H 330 4.509 4.226 0.283 1
1 1503 . 6 2 2 B 35 35 PRO CA C 330 62.553 63.471 -0.918 1
1 1504 . 6 2 2 B 35 35 PRO CB C 330 31.844 32.065 -0.221 1
1 1507 . 6 2 2 B 36 36 PHE H H 331 7.738 7.633 0.105 1
1 1508 . 6 2 2 B 36 36 PHE HA H 331 4.836 4.299 0.537 1
1 1514 . 6 2 2 B 36 36 PHE CA C 331 56.981 56.748 0.233 1
1 1515 . 6 2 2 B 36 36 PHE CB C 331 39.210 38.780 0.430 1
1 1519 . 6 2 2 B 36 36 PHE N N 331 116.513 117.317 -0.804 1
1 1520 . 6 2 2 B 37 37 SER H H 332 7.221 7.953 -0.732 1
1 1521 . 6 2 2 B 37 37 SER HA H 332 4.273 3.839 0.434 1
1 1524 . 6 2 2 B 37 37 SER CA C 332 61.794 60.938 0.856 1
1 1525 . 6 2 2 B 37 37 SER CB C 332 62.810 62.158 0.652 1
1 1526 . 6 2 2 B 37 37 SER N N 332 115.256 114.599 0.657 1
1 1527 . 6 2 2 B 38 38 ALA H H 333 8.551 7.578 0.973 1
1 1528 . 6 2 2 B 38 38 ALA HA H 333 4.308 4.181 0.127 1
1 1532 . 6 2 2 B 38 38 ALA CA C 333 54.464 54.243 0.221 1
1 1533 . 6 2 2 B 38 38 ALA CB C 333 18.148 18.373 -0.225 1
1 1534 . 6 2 2 B 38 38 ALA N N 333 123.216 123.333 -0.117 1
1 1535 . 6 2 2 B 39 39 PHE H H 334 7.842 7.752 0.090 1
1 1536 . 6 2 2 B 39 39 PHE HA H 334 4.165 4.174 -0.009 1
1 1542 . 6 2 2 B 39 39 PHE CA C 334 60.541 61.141 -0.600 1
1 1543 . 6 2 2 B 39 39 PHE CB C 334 38.703 37.968 0.735 1
1 1547 . 6 2 2 B 39 39 PHE N N 334 117.602 116.180 1.422 1
1 1548 . 6 2 2 B 40 40 PHE H H 335 7.668 7.523 0.145 1
1 1549 . 6 2 2 B 40 40 PHE HA H 335 4.626 4.418 0.208 1
1 1555 . 6 2 2 B 40 40 PHE CA C 335 58.997 61.682 -2.685 1
1 1556 . 6 2 2 B 40 40 PHE CB C 335 39.427 38.211 1.216 1
1 1560 . 6 2 2 B 40 40 PHE N N 335 117.267 118.506 -1.239 1
1 1561 . 6 2 2 B 41 41 GLU H H 336 8.105 8.209 -0.104 1
1 1562 . 6 2 2 B 41 41 GLU HA H 336 4.263 4.320 -0.057 1
1 1567 . 6 2 2 B 41 41 GLU CA C 336 57.653 58.544 -0.891 1
1 1568 . 6 2 2 B 41 41 GLU CB C 336 30.320 30.788 -0.468 1
1 1570 . 6 2 2 B 41 41 GLU N N 336 120.426 120.878 -0.452 1
1 1571 . 6 2 2 B 42 42 GLU H H 337 8.140 8.645 -0.505 1
1 1572 . 6 2 2 B 42 42 GLU HA H 337 4.259 4.603 -0.344 1
1 1577 . 6 2 2 B 42 42 GLU CA C 337 56.969 54.480 2.489 1
1 1578 . 6 2 2 B 42 42 GLU CB C 337 30.018 28.829 1.189 1
1 1580 . 6 2 2 B 42 42 GLU N N 337 120.291 118.316 1.975 1
1 1581 . 6 2 2 B 43 43 GLN H H 338 8.058 8.631 -0.573 1
1 1582 . 6 2 2 B 43 43 GLN HA H 338 4.282 4.301 -0.019 1
1 1587 . 6 2 2 B 43 43 GLN CA C 338 56.127 56.491 -0.364 1
1 1588 . 6 2 2 B 43 43 GLN CB C 338 29.560 29.072 0.488 1
1 1590 . 6 2 2 B 43 43 GLN N N 338 119.529 123.010 -3.481 1
1 1591 . 6 2 2 B 44 44 GLU H H 339 8.254 7.548 0.706 1
1 1592 . 6 2 2 B 44 44 GLU HA H 339 4.275 4.735 -0.460 1
1 1597 . 6 2 2 B 44 44 GLU CA C 339 56.683 54.458 2.225 1
1 1598 . 6 2 2 B 44 44 GLU N N 339 121.540 117.608 3.932 1
1 51 . 7 1 1 A 7 7 TRP H H 122 8.903 8.579 0.324 1
1 52 . 7 1 1 A 7 7 TRP HA H 122 5.048 5.415 -0.367 1
1 61 . 7 1 1 A 7 7 TRP CA C 122 54.452 57.768 -3.316 1
1 62 . 7 1 1 A 7 7 TRP CB C 122 29.834 30.456 -0.622 1
1 68 . 7 1 1 A 7 7 TRP N N 122 123.342 124.626 -1.284 1
1 70 . 7 1 1 A 8 8 ALA H H 123 8.015 8.533 -0.518 1
1 71 . 7 1 1 A 8 8 ALA HA H 123 3.864 3.606 0.258 1
1 75 . 7 1 1 A 8 8 ALA CA C 123 53.436 55.043 -1.607 1
1 76 . 7 1 1 A 8 8 ALA CB C 123 19.174 17.808 1.366 1
1 77 . 7 1 1 A 8 8 ALA N N 123 128.053 129.692 -1.639 1
1 78 . 7 1 1 A 9 9 VAL H H 124 5.029 6.578 -1.549 1
1 79 . 7 1 1 A 9 9 VAL HA H 124 3.497 3.706 -0.209 1
1 87 . 7 1 1 A 9 9 VAL CA C 124 61.304 61.806 -0.502 1
1 88 . 7 1 1 A 9 9 VAL CB C 124 29.834 29.677 0.157 1
1 91 . 7 1 1 A 9 9 VAL N N 124 113.760 117.010 -3.250 1
1 92 . 7 1 1 A 10 10 LYS H H 125 8.812 7.983 0.829 1
1 93 . 7 1 1 A 10 10 LYS HA H 125 4.383 4.235 0.148 1
1 102 . 7 1 1 A 10 10 LYS CA C 125 54.959 55.076 -0.117 1
1 103 . 7 1 1 A 10 10 LYS CB C 125 30.849 31.939 -1.090 1
1 107 . 7 1 1 A 10 10 LYS N N 125 129.016 127.677 1.339 1
1 108 . 7 1 1 A 11 11 PRO HA H 126 4.229 4.305 -0.076 1
1 115 . 7 1 1 A 11 11 PRO CA C 126 65.872 65.761 0.111 1
1 116 . 7 1 1 A 11 11 PRO CB C 126 32.118 31.963 0.155 1
1 119 . 7 1 1 A 12 12 GLU H H 127 9.749 8.326 1.423 1
1 120 . 7 1 1 A 12 12 GLU HA H 127 4.075 4.087 -0.012 1
1 125 . 7 1 1 A 12 12 GLU CA C 127 59.464 59.572 -0.108 1
1 126 . 7 1 1 A 12 12 GLU CB C 127 28.565 29.159 -0.594 1
1 128 . 7 1 1 A 12 12 GLU N N 127 117.669 117.778 -0.109 1
1 129 . 7 1 1 A 13 13 ASP H H 128 6.907 8.351 -1.444 1
1 130 . 7 1 1 A 13 13 ASP HA H 128 4.115 4.152 -0.037 1
1 133 . 7 1 1 A 13 13 ASP CA C 128 56.482 56.159 0.323 1
1 134 . 7 1 1 A 13 13 ASP CB C 128 40.239 40.617 -0.378 1
1 135 . 7 1 1 A 13 13 ASP N N 128 120.880 118.490 2.390 1
1 136 . 7 1 1 A 14 14 LYS H H 129 8.162 8.150 0.012 1
1 137 . 7 1 1 A 14 14 LYS HA H 129 3.645 3.958 -0.313 1
1 146 . 7 1 1 A 14 14 LYS CA C 129 58.512 59.489 -0.977 1
1 147 . 7 1 1 A 14 14 LYS CB C 129 32.118 32.359 -0.241 1
1 151 . 7 1 1 A 14 14 LYS N N 129 120.161 121.278 -1.117 1
1 152 . 7 1 1 A 15 15 ALA H H 130 7.836 8.293 -0.457 1
1 153 . 7 1 1 A 15 15 ALA HA H 130 4.254 4.093 0.161 1
1 157 . 7 1 1 A 15 15 ALA CA C 130 55.213 54.922 0.291 1
1 158 . 7 1 1 A 15 15 ALA CB C 130 17.906 18.276 -0.370 1
1 159 . 7 1 1 A 15 15 ALA N N 130 118.204 119.958 -1.754 1
1 160 . 7 1 1 A 16 16 LYS H H 131 7.055 7.772 -0.717 1
1 161 . 7 1 1 A 16 16 LYS HA H 131 4.128 4.130 -0.002 1
1 170 . 7 1 1 A 16 16 LYS CA C 131 59.274 59.182 0.092 1
1 171 . 7 1 1 A 16 16 LYS CB C 131 31.864 31.991 -0.127 1
1 175 . 7 1 1 A 16 16 LYS N N 131 119.703 119.313 0.390 1
1 176 . 7 1 1 A 17 17 TYR H H 132 8.606 8.196 0.410 1
1 177 . 7 1 1 A 17 17 TYR HA H 132 4.812 4.470 0.342 1
1 182 . 7 1 1 A 17 17 TYR CA C 132 58.005 61.587 -3.582 1
1 183 . 7 1 1 A 17 17 TYR CB C 132 35.417 37.623 -2.206 1
1 186 . 7 1 1 A 17 17 TYR N N 132 122.165 118.823 3.342 1
1 187 . 7 1 1 A 18 18 ASP H H 133 9.404 8.809 0.595 1
1 188 . 7 1 1 A 18 18 ASP HA H 133 4.456 4.603 -0.147 1
1 191 . 7 1 1 A 18 18 ASP CA C 133 57.497 57.416 0.081 1
1 192 . 7 1 1 A 18 18 ASP CB C 133 40.493 41.414 -0.921 1
1 193 . 7 1 1 A 18 18 ASP N N 133 121.201 121.342 -0.141 1
1 194 . 7 1 1 A 19 19 ALA H H 134 7.360 7.859 -0.499 1
1 195 . 7 1 1 A 19 19 ALA HA H 134 4.383 4.141 0.242 1
1 199 . 7 1 1 A 19 19 ALA CA C 134 54.959 55.091 -0.132 1
1 200 . 7 1 1 A 19 19 ALA CB C 134 17.906 18.673 -0.767 1
1 201 . 7 1 1 A 19 19 ALA N N 134 120.666 121.449 -0.783 1
1 202 . 7 1 1 A 20 20 ILE H H 135 7.778 7.906 -0.128 1
1 203 . 7 1 1 A 20 20 ILE HA H 135 3.795 3.894 -0.099 1
1 213 . 7 1 1 A 20 20 ILE CA C 135 64.857 64.541 0.316 1
1 214 . 7 1 1 A 20 20 ILE CB C 135 38.463 37.658 0.805 1
1 218 . 7 1 1 A 20 20 ILE N N 135 120.238 116.794 3.444 1
1 219 . 7 1 1 A 21 21 PHE H H 136 9.262 8.771 0.491 1
1 220 . 7 1 1 A 21 21 PHE HA H 136 3.195 3.984 -0.789 1
1 226 . 7 1 1 A 21 21 PHE CA C 136 62.065 62.267 -0.202 1
1 227 . 7 1 1 A 21 21 PHE CB C 136 38.970 39.388 -0.418 1
1 231 . 7 1 1 A 21 21 PHE N N 136 123.878 123.414 0.464 1
1 232 . 7 1 1 A 22 22 ASP H H 137 8.410 8.863 -0.453 1
1 233 . 7 1 1 A 22 22 ASP HA H 137 4.287 4.478 -0.191 1
1 236 . 7 1 1 A 22 22 ASP CA C 137 57.497 57.411 0.086 1
1 237 . 7 1 1 A 22 22 ASP CB C 137 40.493 41.986 -1.493 1
1 238 . 7 1 1 A 22 22 ASP N N 137 115.420 120.240 -4.820 1
1 239 . 7 1 1 A 23 23 SER H H 138 7.946 7.844 0.102 1
1 240 . 7 1 1 A 23 23 SER HA H 138 4.475 4.252 0.223 1
1 243 . 7 1 1 A 23 23 SER CA C 138 60.543 60.898 -0.355 1
1 244 . 7 1 1 A 23 23 SER CB C 138 63.334 63.138 0.196 1
1 245 . 7 1 1 A 23 23 SER N N 138 117.133 114.123 3.010 1
1 246 . 7 1 1 A 24 24 LEU H H 139 7.338 7.444 -0.106 1
1 247 . 7 1 1 A 24 24 LEU HA H 139 4.333 4.315 0.018 1
1 257 . 7 1 1 A 24 24 LEU CA C 139 54.452 54.440 0.012 1
1 258 . 7 1 1 A 24 24 LEU CB C 139 42.016 41.955 0.061 1
1 262 . 7 1 1 A 24 24 LEU N N 139 123.003 118.992 4.011 1
1 263 . 7 1 1 A 25 25 SER H H 140 7.698 7.909 -0.211 1
1 264 . 7 1 1 A 25 25 SER HA H 140 4.036 4.200 -0.164 1
1 268 . 7 1 1 A 25 25 SER CA C 140 58.005 58.724 -0.719 1
1 269 . 7 1 1 A 25 25 SER CB C 140 60.796 61.609 -0.813 1
1 270 . 7 1 1 A 25 25 SER N N 140 109.104 113.337 -4.233 1
1 271 . 7 1 1 A 26 26 PRO HA H 141 4.114 4.485 -0.371 1
1 278 . 7 1 1 A 26 26 PRO CA C 141 62.827 62.479 0.348 1
1 279 . 7 1 1 A 26 26 PRO CB C 141 32.650 32.593 0.057 1
1 282 . 7 1 1 A 27 27 VAL H H 142 8.410 8.978 -0.568 1
1 283 . 7 1 1 A 27 27 VAL HA H 142 4.297 4.531 -0.234 1
1 291 . 7 1 1 A 27 27 VAL CA C 142 61.812 61.276 0.536 1
1 292 . 7 1 1 A 27 27 VAL CB C 142 33.641 32.150 1.491 1
1 295 . 7 1 1 A 27 27 VAL N N 142 120.987 121.221 -0.234 1
1 296 . 7 1 1 A 28 28 ASN H H 143 9.694 9.648 0.046 1
1 297 . 7 1 1 A 28 28 ASN HA H 143 4.425 4.570 -0.145 1
1 302 . 7 1 1 A 28 28 ASN CA C 143 54.198 54.627 -0.429 1
1 303 . 7 1 1 A 28 28 ASN CB C 143 37.701 37.161 0.540 1
1 304 . 7 1 1 A 28 28 ASN N N 143 127.946 127.511 0.435 1
1 306 . 7 1 1 A 29 29 GLY H H 144 8.410 8.716 -0.306 1
1 307 . 7 1 1 A 29 29 GLY HA2 H 144 3.582 3.715 -0.133 1
1 308 . 7 1 1 A 29 29 GLY HA3 H 144 3.976 3.930 0.046 1
1 309 . 7 1 1 A 29 29 GLY CA C 144 44.808 45.623 -0.815 1
1 310 . 7 1 1 A 29 29 GLY N N 144 99.790 105.149 -5.359 1
1 311 . 7 1 1 A 30 30 PHE H H 145 7.749 8.241 -0.492 1
1 312 . 7 1 1 A 30 30 PHE HA H 145 5.476 5.390 0.086 1
1 318 . 7 1 1 A 30 30 PHE CA C 145 56.736 56.848 -0.112 1
1 319 . 7 1 1 A 30 30 PHE CB C 145 44.554 42.256 2.298 1
1 323 . 7 1 1 A 30 30 PHE N N 145 115.206 118.422 -3.216 1
1 324 . 7 1 1 A 31 31 LEU H H 146 9.492 9.476 0.016 1
1 325 . 7 1 1 A 31 31 LEU HA H 146 4.765 5.115 -0.350 1
1 335 . 7 1 1 A 31 31 LEU CA C 146 52.929 53.211 -0.282 1
1 336 . 7 1 1 A 31 31 LEU CB C 146 45.569 44.683 0.886 1
1 340 . 7 1 1 A 31 31 LEU N N 146 121.522 123.784 -2.262 1
1 341 . 7 1 1 A 32 32 SER H H 147 7.822 8.762 -0.940 1
1 342 . 7 1 1 A 32 32 SER HA H 147 4.951 4.977 -0.026 1
1 345 . 7 1 1 A 32 32 SER CA C 147 57.243 57.482 -0.239 1
1 346 . 7 1 1 A 32 32 SER CB C 147 64.603 66.137 -1.534 1
1 347 . 7 1 1 A 32 32 SER N N 147 116.938 117.319 -0.381 1
1 348 . 7 1 1 A 33 33 GLY H H 148 9.072 8.945 0.127 1
1 349 . 7 1 1 A 33 33 GLY HA2 H 148 3.689 3.526 0.163 1
1 350 . 7 1 1 A 33 33 GLY HA3 H 148 3.690 3.718 -0.028 1
1 351 . 7 1 1 A 33 33 GLY CA C 148 48.614 47.560 1.054 1
1 352 . 7 1 1 A 33 33 GLY N N 148 109.104 111.634 -2.530 1
1 353 . 7 1 1 A 34 34 ASP H H 149 8.600 8.361 0.239 1
1 354 . 7 1 1 A 34 34 ASP HA H 149 4.222 4.270 -0.048 1
1 357 . 7 1 1 A 34 34 ASP CA C 149 56.228 56.494 -0.266 1
1 358 . 7 1 1 A 34 34 ASP CB C 149 39.985 39.366 0.619 1
1 359 . 7 1 1 A 34 34 ASP N N 149 117.454 121.264 -3.810 1
1 360 . 7 1 1 A 35 35 LYS H H 150 7.453 7.671 -0.218 1
1 361 . 7 1 1 A 35 35 LYS HA H 150 4.352 4.302 0.050 1
1 370 . 7 1 1 A 35 35 LYS CA C 150 57.497 57.692 -0.195 1
1 371 . 7 1 1 A 35 35 LYS CB C 150 34.402 33.438 0.964 1
1 375 . 7 1 1 A 35 35 LYS N N 150 117.347 118.189 -0.842 1
1 376 . 7 1 1 A 36 36 VAL H H 151 7.691 8.459 -0.768 1
1 377 . 7 1 1 A 36 36 VAL HA H 151 3.979 3.464 0.515 1
1 385 . 7 1 1 A 36 36 VAL CA C 151 65.365 66.750 -1.385 1
1 386 . 7 1 1 A 36 36 VAL CB C 151 33.894 31.540 2.354 1
1 389 . 7 1 1 A 36 36 VAL N N 151 116.919 120.573 -3.654 1
1 390 . 7 1 1 A 37 37 LYS H H 152 8.610 8.716 -0.106 1
1 391 . 7 1 1 A 37 37 LYS HA H 152 4.100 4.221 -0.121 1
1 399 . 7 1 1 A 37 37 LYS CA C 152 58.005 61.580 -3.575 1
1 400 . 7 1 1 A 37 37 LYS CB C 152 29.834 30.105 -0.271 1
1 404 . 7 1 1 A 37 37 LYS N N 152 120.916 120.334 0.582 1
1 405 . 7 1 1 A 38 38 PRO HA H 153 4.248 4.420 -0.172 1
1 412 . 7 1 1 A 38 38 PRO CA C 153 66.380 65.141 1.239 1
1 413 . 7 1 1 A 38 38 PRO CB C 153 31.610 31.303 0.307 1
1 416 . 7 1 1 A 39 39 VAL H H 154 7.059 7.196 -0.137 1
1 417 . 7 1 1 A 39 39 VAL HA H 154 4.100 3.987 0.113 1
1 425 . 7 1 1 A 39 39 VAL CA C 154 65.872 64.691 1.181 1
1 426 . 7 1 1 A 39 39 VAL CB C 154 32.118 31.714 0.404 1
1 429 . 7 1 1 A 39 39 VAL N N 154 116.812 116.270 0.542 1
1 430 . 7 1 1 A 40 40 LEU H H 155 8.203 8.336 -0.133 1
1 431 . 7 1 1 A 40 40 LEU HA H 155 4.206 4.148 0.058 1
1 441 . 7 1 1 A 40 40 LEU CA C 155 62.070 57.675 4.395 1
1 442 . 7 1 1 A 40 40 LEU CB C 155 42.121 41.535 0.586 1
1 445 . 7 1 1 A 40 40 LEU N N 155 117.561 121.056 -3.495 1
1 446 . 7 1 1 A 41 41 LEU H H 156 8.629 8.871 -0.242 1
1 447 . 7 1 1 A 41 41 LEU HA H 156 4.141 4.325 -0.184 1
1 457 . 7 1 1 A 41 41 LEU CA C 156 58.000 55.032 2.968 1
1 458 . 7 1 1 A 41 41 LEU CB C 156 41.762 41.835 -0.073 1
1 462 . 7 1 1 A 42 42 ASN HA H 157 4.785 4.621 0.164 1
1 465 . 7 1 1 A 42 42 ASN CA C 157 54.959 55.361 -0.402 1
1 466 . 7 1 1 A 42 42 ASN CB C 157 37.701 38.671 -0.970 1
1 467 . 7 1 1 A 43 43 SER H H 158 7.849 7.297 0.552 1
1 468 . 7 1 1 A 43 43 SER HA H 158 3.480 4.544 -1.064 1
1 471 . 7 1 1 A 43 43 SER CA C 158 60.796 56.289 4.507 1
1 472 . 7 1 1 A 43 43 SER CB C 158 64.096 65.279 -1.183 1
1 473 . 7 1 1 A 43 43 SER N N 158 114.778 113.852 0.926 1
1 474 . 7 1 1 A 44 44 LYS H H 159 7.633 8.610 -0.977 1
1 475 . 7 1 1 A 44 44 LYS HA H 159 3.868 4.336 -0.468 1
1 484 . 7 1 1 A 44 44 LYS CA C 159 58.005 56.812 1.193 1
1 485 . 7 1 1 A 44 44 LYS CB C 159 29.341 32.570 -3.229 1
1 489 . 7 1 1 A 44 44 LYS N N 159 111.031 124.390 -13.359 1
1 490 . 7 1 1 A 45 45 LEU H H 160 7.287 7.208 0.079 1
1 491 . 7 1 1 A 45 45 LEU HA H 160 4.421 4.366 0.055 1
1 501 . 7 1 1 A 45 45 LEU CA C 160 53.183 53.643 -0.460 1
1 502 . 7 1 1 A 45 45 LEU CB C 160 41.508 41.322 0.186 1
1 506 . 7 1 1 A 45 45 LEU N N 160 121.094 122.329 -1.235 1
1 507 . 7 1 1 A 46 46 PRO HA H 161 4.493 4.685 -0.192 1
1 514 . 7 1 1 A 46 46 PRO CA C 161 62.065 62.141 -0.076 1
1 515 . 7 1 1 A 46 46 PRO CB C 161 32.879 32.832 0.047 1
1 518 . 7 1 1 A 47 47 VAL H H 162 8.112 8.652 -0.540 1
1 519 . 7 1 1 A 47 47 VAL HA H 162 3.437 3.740 -0.303 1
1 527 . 7 1 1 A 47 47 VAL CA C 162 66.634 64.972 1.662 1
1 528 . 7 1 1 A 47 47 VAL CB C 162 28.508 31.536 -3.028 1
1 531 . 7 1 1 A 47 47 VAL N N 162 121.522 120.733 0.789 1
1 532 . 7 1 1 A 48 48 ASP H H 163 8.753 8.232 0.521 1
1 533 . 7 1 1 A 48 48 ASP HA H 163 4.582 4.285 0.297 1
1 536 . 7 1 1 A 48 48 ASP CA C 163 56.990 57.698 -0.708 1
1 537 . 7 1 1 A 48 48 ASP CB C 163 40.239 41.436 -1.197 1
1 538 . 7 1 1 A 48 48 ASP N N 163 117.454 120.144 -2.690 1
1 539 . 7 1 1 A 49 49 ILE H H 164 7.051 7.579 -0.528 1
1 540 . 7 1 1 A 49 49 ILE HA H 164 3.802 3.862 -0.060 1
1 550 . 7 1 1 A 49 49 ILE CA C 164 63.081 64.318 -1.237 1
1 551 . 7 1 1 A 49 49 ILE CB C 164 36.940 37.517 -0.577 1
1 555 . 7 1 1 A 49 49 ILE N N 164 119.167 118.342 0.825 1
1 556 . 7 1 1 A 50 50 LEU H H 165 7.626 8.306 -0.680 1
1 557 . 7 1 1 A 50 50 LEU HA H 165 3.447 4.057 -0.610 1
1 567 . 7 1 1 A 50 50 LEU CA C 165 57.751 58.365 -0.614 1
1 568 . 7 1 1 A 50 50 LEU CB C 165 40.239 41.698 -1.459 1
1 572 . 7 1 1 A 50 50 LEU N N 165 119.274 122.419 -3.145 1
1 573 . 7 1 1 A 51 51 GLY H H 166 8.744 8.616 0.128 1
1 574 . 7 1 1 A 51 51 GLY HA2 H 166 3.480 3.795 -0.315 1
1 575 . 7 1 1 A 51 51 GLY HA3 H 166 2.888 3.839 -0.951 1
1 576 . 7 1 1 A 51 51 GLY CA C 166 46.584 47.135 -0.551 1
1 577 . 7 1 1 A 51 51 GLY N N 166 104.501 106.253 -1.752 1
1 578 . 7 1 1 A 52 52 ARG H H 167 7.189 7.888 -0.699 1
1 579 . 7 1 1 A 52 52 ARG HA H 167 3.977 4.151 -0.174 1
1 586 . 7 1 1 A 52 52 ARG CA C 167 59.527 58.908 0.619 1
1 587 . 7 1 1 A 52 52 ARG CB C 167 29.834 29.545 0.289 1
1 590 . 7 1 1 A 52 52 ARG N N 167 122.700 121.814 0.886 1
1 591 . 7 1 1 A 53 53 VAL H H 168 8.411 8.262 0.149 1
1 592 . 7 1 1 A 53 53 VAL HA H 168 3.390 3.646 -0.256 1
1 600 . 7 1 1 A 53 53 VAL CA C 168 67.395 66.599 0.796 1
1 601 . 7 1 1 A 53 53 VAL CB C 168 31.103 31.624 -0.521 1
1 604 . 7 1 1 A 53 53 VAL N N 168 119.596 118.806 0.790 1
1 605 . 7 1 1 A 54 54 TRP H H 169 8.573 8.547 0.026 1
1 606 . 7 1 1 A 54 54 TRP HA H 169 3.738 4.229 -0.491 1
1 615 . 7 1 1 A 54 54 TRP CA C 169 61.812 61.070 0.742 1
1 616 . 7 1 1 A 54 54 TRP CB C 169 27.550 29.676 -2.126 1
1 622 . 7 1 1 A 54 54 TRP N N 169 121.308 121.200 0.108 1
1 624 . 7 1 1 A 55 55 GLU H H 170 7.783 8.859 -1.076 1
1 625 . 7 1 1 A 55 55 GLU HA H 170 4.030 4.148 -0.118 1
1 630 . 7 1 1 A 55 55 GLU CA C 170 59.020 59.327 -0.307 1
1 631 . 7 1 1 A 55 55 GLU CB C 170 30.088 29.640 0.448 1
1 633 . 7 1 1 A 55 55 GLU N N 170 116.384 119.955 -3.571 1
1 634 . 7 1 1 A 56 56 LEU H H 171 8.005 8.024 -0.019 1
1 635 . 7 1 1 A 56 56 LEU HA H 171 4.003 4.248 -0.245 1
1 645 . 7 1 1 A 56 56 LEU CA C 171 56.736 57.401 -0.665 1
1 646 . 7 1 1 A 56 56 LEU CB C 171 43.539 41.657 1.882 1
1 650 . 7 1 1 A 56 56 LEU N N 171 115.771 120.945 -5.174 1
1 651 . 7 1 1 A 57 57 SER H H 172 7.501 8.612 -1.111 1
1 652 . 7 1 1 A 57 57 SER HA H 172 4.154 4.328 -0.174 1
1 655 . 7 1 1 A 57 57 SER CA C 172 61.812 61.244 0.568 1
1 656 . 7 1 1 A 57 57 SER CB C 172 63.588 62.791 0.797 1
1 657 . 7 1 1 A 57 57 SER N N 172 112.209 113.805 -1.596 1
1 658 . 7 1 1 A 58 58 ASP H H 173 7.592 7.719 -0.127 1
1 659 . 7 1 1 A 58 58 ASP HA H 173 4.550 4.525 0.025 1
1 662 . 7 1 1 A 58 58 ASP CA C 173 51.914 53.350 -1.436 1
1 663 . 7 1 1 A 58 58 ASP CB C 173 36.940 39.786 -2.846 1
1 664 . 7 1 1 A 58 58 ASP N N 173 117.133 120.765 -3.632 1
1 665 . 7 1 1 A 59 59 ILE H H 174 8.078 7.956 0.122 1
1 666 . 7 1 1 A 59 59 ILE HA H 174 3.354 3.748 -0.394 1
1 676 . 7 1 1 A 59 59 ILE CA C 174 64.857 65.206 -0.349 1
1 677 . 7 1 1 A 59 59 ILE CB C 174 39.985 38.031 1.954 1
1 681 . 7 1 1 A 59 59 ILE N N 174 128.160 125.234 2.926 1
1 682 . 7 1 1 A 60 60 ASP H H 175 7.795 8.027 -0.232 1
1 683 . 7 1 1 A 60 60 ASP HA H 175 4.361 4.467 -0.106 1
1 686 . 7 1 1 A 60 60 ASP CA C 175 52.167 52.899 -0.732 1
1 687 . 7 1 1 A 60 60 ASP CB C 175 39.732 39.694 0.038 1
1 688 . 7 1 1 A 60 60 ASP N N 175 113.493 117.344 -3.851 1
1 689 . 7 1 1 A 61 61 HIS H H 176 7.521 8.098 -0.577 1
1 690 . 7 1 1 A 61 61 HIS HA H 176 4.236 4.716 -0.480 1
1 694 . 7 1 1 A 61 61 HIS CA C 176 56.228 56.756 -0.528 1
1 695 . 7 1 1 A 61 61 HIS CB C 176 26.534 27.418 -0.884 1
1 697 . 7 1 1 A 61 61 HIS N N 176 112.637 118.083 -5.446 1
1 698 . 7 1 1 A 62 62 ASP H H 177 8.547 8.312 0.235 1
1 699 . 7 1 1 A 62 62 ASP HA H 177 4.769 4.426 0.343 1
1 702 . 7 1 1 A 62 62 ASP CA C 177 53.436 53.329 0.107 1
1 703 . 7 1 1 A 62 62 ASP CB C 177 40.747 40.520 0.227 1
1 704 . 7 1 1 A 62 62 ASP N N 177 118.739 120.017 -1.278 1
1 705 . 7 1 1 A 63 63 GLY H H 178 10.793 9.082 1.711 1
1 706 . 7 1 1 A 63 63 GLY HA2 H 178 4.398 4.090 0.308 1
1 707 . 7 1 1 A 63 63 GLY HA3 H 178 3.946 4.341 -0.395 1
1 708 . 7 1 1 A 63 63 GLY CA C 178 46.330 45.718 0.612 1
1 709 . 7 1 1 A 63 63 GLY N N 178 112.958 111.038 1.920 1
1 710 . 7 1 1 A 64 64 MET H H 179 8.337 7.928 0.409 1
1 711 . 7 1 1 A 64 64 MET HA H 179 5.360 5.159 0.201 1
1 719 . 7 1 1 A 64 64 MET CA C 179 52.929 54.206 -1.277 1
1 720 . 7 1 1 A 64 64 MET CB C 179 36.432 37.361 -0.929 1
1 722 . 7 1 1 A 64 64 MET N N 179 118.525 119.822 -1.297 1
1 723 . 7 1 1 A 65 65 LEU H H 180 9.471 9.802 -0.331 1
1 724 . 7 1 1 A 65 65 LEU HA H 180 5.838 5.058 0.780 1
1 734 . 7 1 1 A 65 65 LEU CA C 180 53.436 53.591 -0.155 1
1 735 . 7 1 1 A 65 65 LEU CB C 180 43.285 43.109 0.176 1
1 739 . 7 1 1 A 65 65 LEU N N 180 120.987 122.595 -1.608 1
1 740 . 7 1 1 A 66 66 ASP H H 181 9.203 8.837 0.366 1
1 741 . 7 1 1 A 66 66 ASP HA H 181 5.378 4.601 0.777 1
1 744 . 7 1 1 A 66 66 ASP CA C 181 51.914 53.352 -1.438 1
1 745 . 7 1 1 A 66 66 ASP CB C 181 40.493 41.647 -1.154 1
1 746 . 7 1 1 A 66 66 ASP N N 181 124.306 125.316 -1.010 1
1 747 . 7 1 1 A 67 67 ARG H H 182 8.130 8.389 -0.259 1
1 748 . 7 1 1 A 67 67 ARG HA H 182 2.758 3.213 -0.455 1
1 755 . 7 1 1 A 67 67 ARG CA C 182 60.543 59.614 0.929 1
1 756 . 7 1 1 A 67 67 ARG CB C 182 30.595 29.651 0.944 1
1 759 . 7 1 1 A 67 67 ARG N N 182 117.454 125.474 -8.020 1
1 760 . 7 1 1 A 68 68 ASP H H 183 7.871 8.381 -0.510 1
1 761 . 7 1 1 A 68 68 ASP HA H 183 4.748 4.690 0.058 1
1 764 . 7 1 1 A 68 68 ASP CA C 183 57.497 56.911 0.586 1
1 765 . 7 1 1 A 68 68 ASP CB C 183 40.747 40.539 0.208 1
1 766 . 7 1 1 A 68 68 ASP N N 183 119.703 119.314 0.389 1
1 767 . 7 1 1 A 69 69 GLU H H 184 8.775 8.332 0.443 1
1 768 . 7 1 1 A 69 69 GLU HA H 184 3.975 4.147 -0.172 1
1 773 . 7 1 1 A 69 69 GLU CA C 184 59.781 59.550 0.231 1
1 774 . 7 1 1 A 69 69 GLU CB C 184 31.762 29.603 2.159 1
1 776 . 7 1 1 A 69 69 GLU N N 184 120.987 120.808 0.179 1
1 777 . 7 1 1 A 70 70 PHE H H 185 9.331 9.033 0.298 1
1 778 . 7 1 1 A 70 70 PHE HA H 185 4.198 4.183 0.015 1
1 784 . 7 1 1 A 70 70 PHE CA C 185 61.812 61.599 0.213 1
1 785 . 7 1 1 A 70 70 PHE CB C 185 39.957 38.796 1.161 1
1 788 . 7 1 1 A 70 70 PHE N N 185 118.632 121.958 -3.326 1
1 789 . 7 1 1 A 71 71 ALA H H 186 7.622 8.259 -0.637 1
1 790 . 7 1 1 A 71 71 ALA HA H 186 3.991 4.215 -0.224 1
1 794 . 7 1 1 A 71 71 ALA CA C 186 55.213 55.264 -0.051 1
1 795 . 7 1 1 A 71 71 ALA CB C 186 18.921 18.287 0.634 1
1 796 . 7 1 1 A 71 71 ALA N N 186 120.131 121.344 -1.213 1
1 797 . 7 1 1 A 72 72 VAL H H 187 7.670 8.199 -0.529 1
1 798 . 7 1 1 A 72 72 VAL HA H 187 3.438 3.485 -0.047 1
1 806 . 7 1 1 A 72 72 VAL CA C 187 67.617 66.728 0.889 1
1 807 . 7 1 1 A 72 72 VAL CB C 187 31.357 31.661 -0.304 1
1 810 . 7 1 1 A 72 72 VAL N N 187 117.776 119.130 -1.354 1
1 811 . 7 1 1 A 73 73 ALA H H 188 8.040 8.271 -0.231 1
1 812 . 7 1 1 A 73 73 ALA HA H 188 3.892 3.978 -0.086 1
1 816 . 7 1 1 A 73 73 ALA CA C 188 55.974 55.518 0.456 1
1 817 . 7 1 1 A 73 73 ALA CB C 188 16.637 18.579 -1.942 1
1 818 . 7 1 1 A 73 73 ALA N N 188 122.058 121.976 0.082 1
1 819 . 7 1 1 A 74 74 MET H H 189 7.908 8.165 -0.257 1
1 820 . 7 1 1 A 74 74 MET HA H 189 3.900 3.814 0.086 1
1 828 . 7 1 1 A 74 74 MET CA C 189 55.974 58.134 -2.160 1
1 829 . 7 1 1 A 74 74 MET CB C 189 29.072 31.122 -2.050 1
1 832 . 7 1 1 A 74 74 MET N N 189 114.029 117.035 -3.006 1
1 833 . 7 1 1 A 75 75 PHE H H 190 8.298 7.731 0.567 1
1 834 . 7 1 1 A 75 75 PHE HA H 190 4.245 4.394 -0.149 1
1 840 . 7 1 1 A 75 75 PHE CA C 190 61.812 61.368 0.444 1
1 841 . 7 1 1 A 75 75 PHE CB C 190 39.732 39.406 0.326 1
1 844 . 7 1 1 A 75 75 PHE N N 190 121.174 122.021 -0.847 1
1 845 . 7 1 1 A 76 76 LEU H H 191 8.761 8.117 0.644 1
1 846 . 7 1 1 A 76 76 LEU HA H 191 3.987 3.955 0.032 1
1 856 . 7 1 1 A 76 76 LEU CA C 191 58.005 57.482 0.523 1
1 857 . 7 1 1 A 76 76 LEU CB C 191 43.792 41.497 2.295 1
1 859 . 7 1 1 A 76 76 LEU N N 191 119.596 119.549 0.047 1
1 860 . 7 1 1 A 77 77 VAL H H 192 8.392 7.775 0.617 1
1 861 . 7 1 1 A 77 77 VAL HA H 192 3.205 3.518 -0.313 1
1 869 . 7 1 1 A 77 77 VAL CA C 192 67.395 66.247 1.148 1
1 870 . 7 1 1 A 77 77 VAL CB C 192 30.595 31.562 -0.967 1
1 873 . 7 1 1 A 77 77 VAL N N 192 120.773 119.195 1.578 1
1 874 . 7 1 1 A 78 78 TYR H H 193 8.617 7.880 0.737 1
1 875 . 7 1 1 A 78 78 TYR HA H 193 3.916 4.271 -0.355 1
1 880 . 7 1 1 A 78 78 TYR CA C 193 64.350 60.303 4.047 1
1 881 . 7 1 1 A 78 78 TYR CB C 193 36.940 37.145 -0.205 1
1 884 . 7 1 1 A 78 78 TYR N N 193 118.418 118.252 0.166 1
1 885 . 7 1 1 A 79 79 CYS H H 194 7.979 7.960 0.019 1
1 886 . 7 1 1 A 79 79 CYS HA H 194 3.980 3.816 0.164 1
1 889 . 7 1 1 A 79 79 CYS CA C 194 63.842 62.190 1.652 1
1 890 . 7 1 1 A 79 79 CYS CB C 194 25.773 26.674 -0.901 1
1 891 . 7 1 1 A 79 79 CYS N N 194 117.133 118.623 -1.490 1
1 892 . 7 1 1 A 80 80 ALA H H 195 7.979 7.380 0.599 1
1 893 . 7 1 1 A 80 80 ALA HA H 195 4.372 4.089 0.283 1
1 897 . 7 1 1 A 80 80 ALA CA C 195 54.959 55.026 -0.067 1
1 898 . 7 1 1 A 80 80 ALA CB C 195 17.906 18.282 -0.376 1
1 899 . 7 1 1 A 80 80 ALA N N 195 123.128 122.955 0.173 1
1 900 . 7 1 1 A 81 81 LEU H H 196 8.620 7.831 0.789 1
1 901 . 7 1 1 A 81 81 LEU HA H 196 3.957 3.981 -0.024 1
1 911 . 7 1 1 A 81 81 LEU CA C 196 57.497 57.691 -0.194 1
1 912 . 7 1 1 A 81 81 LEU CB C 196 40.747 41.458 -0.711 1
1 916 . 7 1 1 A 81 81 LEU N N 196 123.021 119.670 3.351 1
1 917 . 7 1 1 A 82 82 GLU H H 197 7.483 8.202 -0.719 1
1 918 . 7 1 1 A 82 82 GLU HA H 197 4.497 4.225 0.272 1
1 923 . 7 1 1 A 82 82 GLU CA C 197 56.418 55.530 0.888 1
1 924 . 7 1 1 A 82 82 GLU CB C 197 28.819 28.646 0.173 1
1 926 . 7 1 1 A 82 82 GLU N N 197 118.311 115.185 3.126 1
1 927 . 7 1 1 A 83 83 LYS H H 198 7.832 7.790 0.042 1
1 928 . 7 1 1 A 83 83 LYS HA H 198 3.805 3.881 -0.076 1
1 937 . 7 1 1 A 83 83 LYS CA C 198 57.497 57.492 0.005 1
1 938 . 7 1 1 A 83 83 LYS CB C 198 28.057 28.921 -0.864 1
1 942 . 7 1 1 A 83 83 LYS N N 198 111.674 114.293 -2.619 1
1 943 . 7 1 1 A 84 84 GLU H H 199 8.098 7.826 0.272 1
1 944 . 7 1 1 A 84 84 GLU HA H 199 4.635 4.544 0.091 1
1 949 . 7 1 1 A 84 84 GLU CA C 199 53.944 53.918 0.026 1
1 950 . 7 1 1 A 84 84 GLU CB C 199 29.580 30.412 -0.832 1
1 952 . 7 1 1 A 84 84 GLU N N 199 121.737 120.299 1.438 1
1 953 . 7 1 1 A 85 85 PRO HA H 200 4.344 4.389 -0.045 1
1 960 . 7 1 1 A 85 85 PRO CA C 200 62.065 63.207 -1.142 1
1 961 . 7 1 1 A 85 85 PRO CB C 200 32.118 32.158 -0.040 1
1 964 . 7 1 1 A 86 86 VAL H H 201 8.534 8.433 0.101 1
1 965 . 7 1 1 A 86 86 VAL HA H 201 4.275 4.526 -0.251 1
1 973 . 7 1 1 A 86 86 VAL CA C 201 60.035 59.049 0.986 1
1 974 . 7 1 1 A 86 86 VAL CB C 201 32.118 32.971 -0.853 1
1 977 . 7 1 1 A 86 86 VAL N N 201 125.055 123.338 1.717 1
1 978 . 7 1 1 A 87 87 PRO HA H 202 4.571 4.791 -0.220 1
1 985 . 7 1 1 A 87 87 PRO CA C 202 62.827 62.688 0.139 1
1 986 . 7 1 1 A 87 87 PRO CB C 202 32.879 33.307 -0.428 1
1 989 . 7 1 1 A 88 88 MET H H 203 8.536 8.905 -0.369 1
1 990 . 7 1 1 A 88 88 MET HA H 203 4.437 4.651 -0.214 1
1 998 . 7 1 1 A 88 88 MET CA C 203 55.974 55.247 0.727 1
1 999 . 7 1 1 A 88 88 MET CB C 203 32.372 32.862 -0.490 1
1 1001 . 7 1 1 A 88 88 MET N N 203 114.671 119.173 -4.502 1
1 1002 . 7 1 1 A 89 89 SER H H 204 7.588 7.725 -0.137 1
1 1003 . 7 1 1 A 89 89 SER HA H 204 4.482 4.833 -0.351 1
1 1006 . 7 1 1 A 89 89 SER CA C 204 56.482 57.550 -1.068 1
1 1007 . 7 1 1 A 89 89 SER CB C 204 65.111 65.588 -0.477 1
1 1008 . 7 1 1 A 89 89 SER N N 204 110.603 116.865 -6.262 1
1 1009 . 7 1 1 A 90 90 LEU H H 205 9.188 8.439 0.749 1
1 1010 . 7 1 1 A 90 90 LEU HA H 205 4.314 4.532 -0.218 1
1 1020 . 7 1 1 A 90 90 LEU CA C 205 53.436 52.675 0.761 1
1 1021 . 7 1 1 A 90 90 LEU CB C 205 41.785 42.881 -1.096 1
1 1024 . 7 1 1 A 90 90 LEU N N 205 124.627 125.976 -1.349 1
1 1025 . 7 1 1 A 91 91 PRO HA H 206 4.794 4.703 0.091 1
1 1032 . 7 1 1 A 91 91 PRO CA C 206 61.304 62.350 -1.046 1
1 1033 . 7 1 1 A 91 91 PRO CB C 206 31.116 31.743 -0.627 1
1 1036 . 7 1 1 A 92 92 PRO HA H 207 4.221 4.324 -0.103 1
1 1043 . 7 1 1 A 92 92 PRO CA C 207 66.057 64.994 1.063 1
1 1044 . 7 1 1 A 92 92 PRO CB C 207 31.889 31.816 0.073 1
1 1047 . 7 1 1 A 93 93 ALA H H 208 8.509 8.201 0.308 1
1 1048 . 7 1 1 A 93 93 ALA HA H 208 4.181 4.207 -0.026 1
1 1052 . 7 1 1 A 93 93 ALA CA C 208 54.198 54.251 -0.053 1
1 1053 . 7 1 1 A 93 93 ALA CB C 208 18.413 18.325 0.088 1
1 1054 . 7 1 1 A 93 93 ALA N N 208 115.742 119.951 -4.209 1
1 1055 . 7 1 1 A 94 94 LEU H H 209 8.225 8.004 0.221 1
1 1056 . 7 1 1 A 94 94 LEU HA H 209 4.341 4.626 -0.285 1
1 1066 . 7 1 1 A 94 94 LEU CA C 209 54.452 54.096 0.356 1
1 1067 . 7 1 1 A 94 94 LEU CB C 209 43.285 42.309 0.976 1
1 1071 . 7 1 1 A 94 94 LEU N N 209 118.204 111.535 6.669 1
1 1072 . 7 1 1 A 95 95 VAL H H 210 7.400 7.576 -0.176 1
1 1073 . 7 1 1 A 95 95 VAL HA H 210 3.762 4.543 -0.781 1
1 1081 . 7 1 1 A 95 95 VAL CA C 210 61.812 60.129 1.683 1
1 1082 . 7 1 1 A 95 95 VAL CB C 210 32.118 32.793 -0.675 1
1 1085 . 7 1 1 A 95 95 VAL N N 210 123.021 121.492 1.529 1
1 1089 . 7 1 1 A 97 97 PRO HA H 212 3.641 4.113 -0.472 1
1 1096 . 7 1 1 A 97 97 PRO CA C 212 66.126 65.298 0.828 1
1 1097 . 7 1 1 A 97 97 PRO CB C 212 31.864 31.727 0.137 1
1 1100 . 7 1 1 A 98 98 SER H H 213 8.243 8.048 0.195 1
1 1101 . 7 1 1 A 98 98 SER HA H 213 4.124 4.222 -0.098 1
1 1104 . 7 1 1 A 98 98 SER CA C 213 59.781 60.508 -0.727 1
1 1105 . 7 1 1 A 98 98 SER CB C 213 62.573 62.942 -0.369 1
1 1106 . 7 1 1 A 98 98 SER N N 213 110.924 112.166 -1.242 1
1 1107 . 7 1 1 A 99 99 LYS H H 214 8.125 7.459 0.666 1
1 1108 . 7 1 1 A 99 99 LYS HA H 214 4.563 4.518 0.045 1
1 1117 . 7 1 1 A 99 99 LYS CA C 214 54.198 55.437 -1.239 1
1 1118 . 7 1 1 A 99 99 LYS CB C 214 32.879 32.153 0.726 1
1 1122 . 7 1 1 A 99 99 LYS N N 214 120.024 117.738 2.286 1
1 1180 . 7 2 2 B 7 7 SER HA H 302 4.483 4.900 -0.417 1
1 1183 . 7 2 2 B 7 7 SER CA C 302 58.429 57.932 0.497 1
1 1184 . 7 2 2 B 7 7 SER CB C 302 63.758 65.386 -1.628 1
1 1185 . 7 2 2 B 8 8 VAL H H 303 8.238 8.826 -0.588 1
1 1186 . 7 2 2 B 8 8 VAL HA H 303 4.252 4.062 0.190 1
1 1194 . 7 2 2 B 8 8 VAL CA C 303 62.311 64.758 -2.447 1
1 1195 . 7 2 2 B 8 8 VAL CB C 303 32.824 32.580 0.244 1
1 1198 . 7 2 2 B 8 8 VAL N N 303 121.875 127.014 -5.139 1
1 1199 . 7 2 2 B 9 9 THR H H 304 8.221 8.100 0.121 1
1 1200 . 7 2 2 B 9 9 THR HA H 304 4.369 4.433 -0.064 1
1 1205 . 7 2 2 B 9 9 THR CA C 304 61.795 63.261 -1.466 1
1 1206 . 7 2 2 B 9 9 THR CB C 304 69.666 71.186 -1.520 1
1 1208 . 7 2 2 B 9 9 THR N N 304 117.435 113.722 3.713 1
1 1209 . 7 2 2 B 10 10 GLU H H 305 8.342 7.876 0.466 1
1 1210 . 7 2 2 B 10 10 GLU HA H 305 4.292 4.504 -0.212 1
1 1215 . 7 2 2 B 10 10 GLU CA C 305 56.488 54.927 1.561 1
1 1216 . 7 2 2 B 10 10 GLU CB C 305 30.344 31.325 -0.981 1
1 1218 . 7 2 2 B 10 10 GLU N N 305 123.467 118.536 4.931 1
1 1219 . 7 2 2 B 11 11 ALA H H 306 8.299 8.768 -0.469 1
1 1220 . 7 2 2 B 11 11 ALA HA H 306 4.330 4.485 -0.155 1
1 1224 . 7 2 2 B 11 11 ALA CA C 306 52.164 53.480 -1.316 1
1 1225 . 7 2 2 B 11 11 ALA CB C 306 19.377 17.773 1.604 1
1 1226 . 7 2 2 B 11 11 ALA N N 306 124.975 120.703 4.272 1
1 1227 . 7 2 2 B 12 12 SER H H 307 8.304 8.015 0.289 1
1 1228 . 7 2 2 B 12 12 SER HA H 307 4.628 4.871 -0.243 1
1 1231 . 7 2 2 B 12 12 SER CA C 307 56.214 58.954 -2.740 1
1 1232 . 7 2 2 B 12 12 SER CB C 307 63.419 65.080 -1.661 1
1 1233 . 7 2 2 B 12 12 SER N N 307 116.597 108.459 8.138 1
1 1234 . 7 2 2 B 13 13 PRO HA H 308 4.395 4.576 -0.181 1
1 1241 . 7 2 2 B 13 13 PRO CA C 308 63.060 62.337 0.723 1
1 1242 . 7 2 2 B 13 13 PRO CB C 308 31.844 28.935 2.909 1
1 1245 . 7 2 2 B 14 14 TRP H H 309 8.038 8.595 -0.557 1
1 1246 . 7 2 2 B 14 14 TRP HA H 309 4.930 5.154 -0.224 1
1 1255 . 7 2 2 B 14 14 TRP CA C 309 54.944 56.222 -1.278 1
1 1256 . 7 2 2 B 14 14 TRP CB C 309 30.324 33.306 -2.982 1
1 1262 . 7 2 2 B 14 14 TRP N N 309 121.372 124.082 -2.710 1
1 1264 . 7 2 2 B 15 15 ARG H H 310 8.827 9.165 -0.338 1
1 1265 . 7 2 2 B 15 15 ARG HA H 310 4.336 4.496 -0.160 1
1 1272 . 7 2 2 B 15 15 ARG CA C 310 56.617 55.717 0.900 1
1 1273 . 7 2 2 B 15 15 ARG CB C 310 31.336 30.087 1.249 1
1 1276 . 7 2 2 B 15 15 ARG N N 310 122.043 121.195 0.848 1
1 1277 . 7 2 2 B 16 16 ALA H H 311 8.551 8.131 0.420 1
1 1278 . 7 2 2 B 16 16 ALA HA H 311 4.140 4.052 0.088 1
1 1282 . 7 2 2 B 16 16 ALA CA C 311 54.460 54.792 -0.332 1
1 1283 . 7 2 2 B 16 16 ALA CB C 311 18.884 16.872 2.012 1
1 1284 . 7 2 2 B 16 16 ALA N N 311 120.702 119.657 1.045 1
1 1285 . 7 2 2 B 17 17 THR H H 312 7.286 8.715 -1.429 1
1 1286 . 7 2 2 B 17 17 THR HA H 312 4.219 4.268 -0.049 1
1 1291 . 7 2 2 B 17 17 THR CA C 312 60.544 63.004 -2.460 1
1 1292 . 7 2 2 B 17 17 THR CB C 312 68.647 69.387 -0.740 1
1 1294 . 7 2 2 B 17 17 THR N N 312 124.807 108.773 16.034 1
1 1295 . 7 2 2 B 18 18 ASN H H 313 7.918 7.868 0.050 1
1 1296 . 7 2 2 B 18 18 ASN HA H 313 4.269 5.056 -0.787 1
1 1301 . 7 2 2 B 18 18 ASN CA C 313 50.640 49.939 0.701 1
1 1302 . 7 2 2 B 18 18 ASN CB C 313 39.462 39.559 -0.097 1
1 1303 . 7 2 2 B 18 18 ASN N N 313 123.467 122.695 0.772 1
1 1305 . 7 2 2 B 19 19 PRO HA H 314 4.135 4.417 -0.282 1
1 1312 . 7 2 2 B 19 19 PRO CA C 314 63.314 63.702 -0.388 1
1 1313 . 7 2 2 B 19 19 PRO CB C 314 31.336 31.973 -0.637 1
1 1316 . 7 2 2 B 20 20 PHE H H 315 8.568 7.986 0.582 1
1 1317 . 7 2 2 B 20 20 PHE HA H 315 4.144 4.565 -0.421 1
1 1323 . 7 2 2 B 20 20 PHE CA C 315 59.513 58.339 1.174 1
1 1324 . 7 2 2 B 20 20 PHE CB C 315 37.658 40.338 -2.680 1
1 1328 . 7 2 2 B 20 20 PHE N N 315 116.848 119.008 -2.160 1
1 1329 . 7 2 2 B 21 21 LEU H H 316 7.332 7.761 -0.429 1
1 1330 . 7 2 2 B 21 21 LEU HA H 316 4.393 3.974 0.419 1
1 1340 . 7 2 2 B 21 21 LEU CA C 316 55.961 57.884 -1.923 1
1 1341 . 7 2 2 B 21 21 LEU CB C 316 43.017 41.633 1.384 1
1 1345 . 7 2 2 B 21 21 LEU N N 316 120.283 118.268 2.015 1
1 1346 . 7 2 2 B 22 22 ASN H H 317 8.010 8.542 -0.532 1
1 1347 . 7 2 2 B 22 22 ASN HA H 317 4.613 4.827 -0.214 1
1 1352 . 7 2 2 B 22 22 ASN CA C 317 53.224 52.847 0.377 1
1 1353 . 7 2 2 B 22 22 ASN CB C 317 38.714 37.580 1.134 1
1 1354 . 7 2 2 B 22 22 ASN N N 317 117.602 117.133 0.469 1
1 1356 . 7 2 2 B 23 23 GLU H H 318 8.344 8.258 0.086 1
1 1357 . 7 2 2 B 23 23 GLU HA H 318 4.373 4.431 -0.058 1
1 1362 . 7 2 2 B 23 23 GLU CA C 318 56.974 57.401 -0.427 1
1 1363 . 7 2 2 B 23 23 GLU CB C 318 30.323 30.708 -0.385 1
1 1365 . 7 2 2 B 23 23 GLU N N 318 121.523 119.128 2.395 1
1 1366 . 7 2 2 B 24 24 THR H H 319 8.295 8.047 0.248 1
1 1367 . 7 2 2 B 24 24 THR HA H 319 4.398 4.120 0.278 1
1 1372 . 7 2 2 B 24 24 THR CA C 319 61.940 64.231 -2.291 1
1 1373 . 7 2 2 B 24 24 THR CB C 319 70.138 68.745 1.393 1
1 1375 . 7 2 2 B 24 24 THR N N 319 115.089 115.407 -0.318 1
1 1376 . 7 2 2 B 25 25 LEU H H 320 8.639 7.538 1.101 1
1 1377 . 7 2 2 B 25 25 LEU HA H 320 4.237 4.365 -0.128 1
1 1387 . 7 2 2 B 25 25 LEU CA C 320 55.196 53.916 1.280 1
1 1388 . 7 2 2 B 25 25 LEU CB C 320 40.733 41.355 -0.622 1
1 1392 . 7 2 2 B 25 25 LEU N N 320 122.143 116.232 5.911 1
1 1393 . 7 2 2 B 26 26 GLN H H 321 8.121 7.830 0.291 1
1 1394 . 7 2 2 B 26 26 GLN HA H 321 4.217 4.026 0.191 1
1 1401 . 7 2 2 B 26 26 GLN CA C 321 56.987 56.585 0.402 1
1 1402 . 7 2 2 B 26 26 GLN CB C 321 29.309 27.513 1.796 1
1 1404 . 7 2 2 B 26 26 GLN N N 321 119.864 119.071 0.793 1
1 1406 . 7 2 2 B 27 27 ASP H H 322 8.489 8.471 0.018 1
1 1407 . 7 2 2 B 27 27 ASP HA H 322 4.656 4.796 -0.140 1
1 1410 . 7 2 2 B 27 27 ASP CA C 322 54.170 55.702 -1.532 1
1 1411 . 7 2 2 B 27 27 ASP CB C 322 40.758 42.294 -1.536 1
1 1412 . 7 2 2 B 27 27 ASP N N 322 119.864 127.280 -7.416 1
1 1413 . 7 2 2 B 28 28 VAL H H 323 7.588 7.963 -0.375 1
1 1414 . 7 2 2 B 28 28 VAL HA H 323 4.094 3.687 0.407 1
1 1422 . 7 2 2 B 28 28 VAL CA C 323 61.797 64.935 -3.138 1
1 1423 . 7 2 2 B 28 28 VAL CB C 323 32.915 30.249 2.666 1
1 1426 . 7 2 2 B 28 28 VAL N N 323 119.446 118.341 1.105 1
1 1427 . 7 2 2 B 29 29 GLN H H 324 8.451 8.077 0.374 1
1 1428 . 7 2 2 B 29 29 GLN HA H 324 4.633 3.913 0.720 1
1 1435 . 7 2 2 B 29 29 GLN CA C 324 53.138 56.382 -3.244 1
1 1436 . 7 2 2 B 29 29 GLN CB C 324 28.795 26.924 1.871 1
1 1438 . 7 2 2 B 29 29 GLN N N 324 125.897 118.188 7.709 1
1 1440 . 7 2 2 B 30 30 PRO HA H 325 4.486 4.871 -0.385 1
1 1447 . 7 2 2 B 30 30 PRO CA C 325 62.553 62.217 0.336 1
1 1448 . 7 2 2 B 30 30 PRO CB C 325 32.316 32.429 -0.113 1
1 1451 . 7 2 2 B 31 31 SER H H 326 7.858 8.543 -0.685 1
1 1452 . 7 2 2 B 31 31 SER HA H 326 4.734 5.052 -0.318 1
1 1455 . 7 2 2 B 31 31 SER CA C 326 55.447 56.153 -0.706 1
1 1456 . 7 2 2 B 31 31 SER CB C 326 63.822 64.929 -1.107 1
1 1457 . 7 2 2 B 31 31 SER N N 326 115.759 117.929 -2.170 1
1 1458 . 7 2 2 B 32 32 PRO HA H 327 4.554 4.583 -0.029 1
1 1465 . 7 2 2 B 32 32 PRO CA C 327 64.076 63.705 0.371 1
1 1466 . 7 2 2 B 32 32 PRO CB C 327 32.098 31.734 0.364 1
1 1469 . 7 2 2 B 33 33 ILE H H 328 8.233 7.948 0.285 1
1 1470 . 7 2 2 B 33 33 ILE HA H 328 3.829 4.272 -0.443 1
1 1480 . 7 2 2 B 33 33 ILE CA C 328 58.518 61.201 -2.683 1
1 1481 . 7 2 2 B 33 33 ILE CB C 328 36.419 37.344 -0.925 1
1 1485 . 7 2 2 B 33 33 ILE N N 328 121.037 119.442 1.595 1
1 1486 . 7 2 2 B 34 34 ASN H H 329 8.672 7.567 1.105 1
1 1487 . 7 2 2 B 34 34 ASN HA H 329 5.225 4.781 0.444 1
1 1492 . 7 2 2 B 34 34 ASN CA C 329 49.359 51.421 -2.062 1
1 1493 . 7 2 2 B 34 34 ASN CB C 329 38.952 38.478 0.474 1
1 1494 . 7 2 2 B 34 34 ASN N N 329 121.624 121.221 0.403 1
1 1496 . 7 2 2 B 35 35 PRO HA H 330 4.509 4.366 0.143 1
1 1503 . 7 2 2 B 35 35 PRO CA C 330 62.553 63.618 -1.065 1
1 1504 . 7 2 2 B 35 35 PRO CB C 330 31.844 32.105 -0.261 1
1 1507 . 7 2 2 B 36 36 PHE H H 331 7.738 7.810 -0.072 1
1 1508 . 7 2 2 B 36 36 PHE HA H 331 4.836 4.634 0.202 1
1 1514 . 7 2 2 B 36 36 PHE CA C 331 56.981 57.533 -0.552 1
1 1515 . 7 2 2 B 36 36 PHE CB C 331 39.210 39.800 -0.590 1
1 1519 . 7 2 2 B 36 36 PHE N N 331 116.513 115.979 0.534 1
1 1520 . 7 2 2 B 37 37 SER H H 332 7.221 8.322 -1.101 1
1 1521 . 7 2 2 B 37 37 SER HA H 332 4.273 4.518 -0.245 1
1 1524 . 7 2 2 B 37 37 SER CA C 332 61.794 61.433 0.361 1
1 1525 . 7 2 2 B 37 37 SER CB C 332 62.810 62.370 0.440 1
1 1526 . 7 2 2 B 37 37 SER N N 332 115.256 116.245 -0.989 1
1 1527 . 7 2 2 B 38 38 ALA H H 333 8.551 7.736 0.815 1
1 1528 . 7 2 2 B 38 38 ALA HA H 333 4.308 4.154 0.154 1
1 1532 . 7 2 2 B 38 38 ALA CA C 333 54.464 54.380 0.084 1
1 1533 . 7 2 2 B 38 38 ALA CB C 333 18.148 18.189 -0.041 1
1 1534 . 7 2 2 B 38 38 ALA N N 333 123.216 124.158 -0.942 1
1 1535 . 7 2 2 B 39 39 PHE H H 334 7.842 7.563 0.279 1
1 1536 . 7 2 2 B 39 39 PHE HA H 334 4.165 4.062 0.103 1
1 1542 . 7 2 2 B 39 39 PHE CA C 334 60.541 60.715 -0.174 1
1 1543 . 7 2 2 B 39 39 PHE CB C 334 38.703 38.388 0.315 1
1 1547 . 7 2 2 B 39 39 PHE N N 334 117.602 116.247 1.355 1
1 1548 . 7 2 2 B 40 40 PHE H H 335 7.668 7.499 0.169 1
1 1549 . 7 2 2 B 40 40 PHE HA H 335 4.626 4.456 0.170 1
1 1555 . 7 2 2 B 40 40 PHE CA C 335 58.997 62.106 -3.109 1
1 1556 . 7 2 2 B 40 40 PHE CB C 335 39.427 38.122 1.305 1
1 1560 . 7 2 2 B 40 40 PHE N N 335 117.267 117.487 -0.220 1
1 1561 . 7 2 2 B 41 41 GLU H H 336 8.105 8.097 0.008 1
1 1562 . 7 2 2 B 41 41 GLU HA H 336 4.263 4.218 0.045 1
1 1567 . 7 2 2 B 41 41 GLU CA C 336 57.653 59.359 -1.706 1
1 1568 . 7 2 2 B 41 41 GLU CB C 336 30.320 30.453 -0.133 1
1 1570 . 7 2 2 B 41 41 GLU N N 336 120.426 120.938 -0.512 1
1 1571 . 7 2 2 B 42 42 GLU H H 337 8.140 8.241 -0.101 1
1 1572 . 7 2 2 B 42 42 GLU HA H 337 4.259 4.629 -0.370 1
1 1577 . 7 2 2 B 42 42 GLU CA C 337 56.969 54.555 2.414 1
1 1578 . 7 2 2 B 42 42 GLU CB C 337 30.018 29.027 0.991 1
1 1580 . 7 2 2 B 42 42 GLU N N 337 120.291 117.880 2.411 1
1 1581 . 7 2 2 B 43 43 GLN H H 338 8.058 8.419 -0.361 1
1 1582 . 7 2 2 B 43 43 GLN HA H 338 4.282 4.254 0.028 1
1 1587 . 7 2 2 B 43 43 GLN CA C 338 56.127 57.975 -1.848 1
1 1588 . 7 2 2 B 43 43 GLN CB C 338 29.560 29.130 0.430 1
1 1590 . 7 2 2 B 43 43 GLN N N 338 119.529 123.738 -4.209 1
1 1591 . 7 2 2 B 44 44 GLU H H 339 8.254 8.193 0.061 1
1 1592 . 7 2 2 B 44 44 GLU HA H 339 4.275 4.527 -0.252 1
1 1597 . 7 2 2 B 44 44 GLU CA C 339 56.683 55.899 0.784 1
1 1598 . 7 2 2 B 44 44 GLU N N 339 121.540 117.884 3.656 1
1 51 . 8 1 1 A 7 7 TRP H H 122 8.903 8.723 0.180 1
1 52 . 8 1 1 A 7 7 TRP HA H 122 5.048 5.493 -0.445 1
1 61 . 8 1 1 A 7 7 TRP CA C 122 54.452 58.359 -3.907 1
1 62 . 8 1 1 A 7 7 TRP CB C 122 29.834 30.400 -0.566 1
1 68 . 8 1 1 A 7 7 TRP N N 122 123.342 124.318 -0.976 1
1 70 . 8 1 1 A 8 8 ALA H H 123 8.015 8.073 -0.058 1
1 71 . 8 1 1 A 8 8 ALA HA H 123 3.864 4.056 -0.192 1
1 75 . 8 1 1 A 8 8 ALA CA C 123 53.436 50.906 2.530 1
1 76 . 8 1 1 A 8 8 ALA CB C 123 19.174 18.779 0.395 1
1 77 . 8 1 1 A 8 8 ALA N N 123 128.053 127.811 0.242 1
1 78 . 8 1 1 A 9 9 VAL H H 124 5.029 7.566 -2.537 1
1 79 . 8 1 1 A 9 9 VAL HA H 124 3.497 3.495 0.002 1
1 87 . 8 1 1 A 9 9 VAL CA C 124 61.304 62.298 -0.994 1
1 88 . 8 1 1 A 9 9 VAL CB C 124 29.834 29.678 0.156 1
1 91 . 8 1 1 A 9 9 VAL N N 124 113.760 114.047 -0.287 1
1 92 . 8 1 1 A 10 10 LYS H H 125 8.812 7.787 1.025 1
1 93 . 8 1 1 A 10 10 LYS HA H 125 4.383 4.210 0.173 1
1 102 . 8 1 1 A 10 10 LYS CA C 125 54.959 55.136 -0.177 1
1 103 . 8 1 1 A 10 10 LYS CB C 125 30.849 32.125 -1.276 1
1 107 . 8 1 1 A 10 10 LYS N N 125 129.016 121.297 7.719 1
1 108 . 8 1 1 A 11 11 PRO HA H 126 4.229 4.303 -0.074 1
1 115 . 8 1 1 A 11 11 PRO CA C 126 65.872 65.761 0.111 1
1 116 . 8 1 1 A 11 11 PRO CB C 126 32.118 31.918 0.200 1
1 119 . 8 1 1 A 12 12 GLU H H 127 9.749 8.300 1.449 1
1 120 . 8 1 1 A 12 12 GLU HA H 127 4.075 4.090 -0.015 1
1 125 . 8 1 1 A 12 12 GLU CA C 127 59.464 59.579 -0.115 1
1 126 . 8 1 1 A 12 12 GLU CB C 127 28.565 29.172 -0.607 1
1 128 . 8 1 1 A 12 12 GLU N N 127 117.669 117.781 -0.112 1
1 129 . 8 1 1 A 13 13 ASP H H 128 6.907 8.615 -1.708 1
1 130 . 8 1 1 A 13 13 ASP HA H 128 4.115 4.095 0.020 1
1 133 . 8 1 1 A 13 13 ASP CA C 128 56.482 56.496 -0.014 1
1 134 . 8 1 1 A 13 13 ASP CB C 128 40.239 40.378 -0.139 1
1 135 . 8 1 1 A 13 13 ASP N N 128 120.880 118.686 2.194 1
1 136 . 8 1 1 A 14 14 LYS H H 129 8.162 8.030 0.132 1
1 137 . 8 1 1 A 14 14 LYS HA H 129 3.645 3.990 -0.345 1
1 146 . 8 1 1 A 14 14 LYS CA C 129 58.512 59.466 -0.954 1
1 147 . 8 1 1 A 14 14 LYS CB C 129 32.118 32.382 -0.264 1
1 151 . 8 1 1 A 14 14 LYS N N 129 120.161 121.426 -1.265 1
1 152 . 8 1 1 A 15 15 ALA H H 130 7.836 8.398 -0.562 1
1 153 . 8 1 1 A 15 15 ALA HA H 130 4.254 4.068 0.186 1
1 157 . 8 1 1 A 15 15 ALA CA C 130 55.213 54.971 0.242 1
1 158 . 8 1 1 A 15 15 ALA CB C 130 17.906 18.224 -0.318 1
1 159 . 8 1 1 A 15 15 ALA N N 130 118.204 119.985 -1.781 1
1 160 . 8 1 1 A 16 16 LYS H H 131 7.055 7.689 -0.634 1
1 161 . 8 1 1 A 16 16 LYS HA H 131 4.128 4.128 0.000 1
1 170 . 8 1 1 A 16 16 LYS CA C 131 59.274 59.361 -0.087 1
1 171 . 8 1 1 A 16 16 LYS CB C 131 31.864 32.011 -0.147 1
1 175 . 8 1 1 A 16 16 LYS N N 131 119.703 119.245 0.458 1
1 176 . 8 1 1 A 17 17 TYR H H 132 8.606 8.301 0.305 1
1 177 . 8 1 1 A 17 17 TYR HA H 132 4.812 4.462 0.350 1
1 182 . 8 1 1 A 17 17 TYR CA C 132 58.005 61.569 -3.564 1
1 183 . 8 1 1 A 17 17 TYR CB C 132 35.417 37.877 -2.460 1
1 186 . 8 1 1 A 17 17 TYR N N 132 122.165 118.964 3.201 1
1 187 . 8 1 1 A 18 18 ASP H H 133 9.404 9.120 0.284 1
1 188 . 8 1 1 A 18 18 ASP HA H 133 4.456 4.623 -0.167 1
1 191 . 8 1 1 A 18 18 ASP CA C 133 57.497 57.422 0.075 1
1 192 . 8 1 1 A 18 18 ASP CB C 133 40.493 41.410 -0.917 1
1 193 . 8 1 1 A 18 18 ASP N N 133 121.201 121.341 -0.140 1
1 194 . 8 1 1 A 19 19 ALA H H 134 7.360 7.910 -0.550 1
1 195 . 8 1 1 A 19 19 ALA HA H 134 4.383 4.133 0.250 1
1 199 . 8 1 1 A 19 19 ALA CA C 134 54.959 55.055 -0.096 1
1 200 . 8 1 1 A 19 19 ALA CB C 134 17.906 18.274 -0.368 1
1 201 . 8 1 1 A 19 19 ALA N N 134 120.666 121.343 -0.677 1
1 202 . 8 1 1 A 20 20 ILE H H 135 7.778 7.824 -0.046 1
1 203 . 8 1 1 A 20 20 ILE HA H 135 3.795 3.921 -0.126 1
1 213 . 8 1 1 A 20 20 ILE CA C 135 64.857 64.548 0.309 1
1 214 . 8 1 1 A 20 20 ILE CB C 135 38.463 37.638 0.825 1
1 218 . 8 1 1 A 20 20 ILE N N 135 120.238 117.095 3.143 1
1 219 . 8 1 1 A 21 21 PHE H H 136 9.262 8.861 0.401 1
1 220 . 8 1 1 A 21 21 PHE HA H 136 3.195 3.995 -0.800 1
1 226 . 8 1 1 A 21 21 PHE CA C 136 62.065 62.294 -0.229 1
1 227 . 8 1 1 A 21 21 PHE CB C 136 38.970 39.510 -0.540 1
1 231 . 8 1 1 A 21 21 PHE N N 136 123.878 123.694 0.184 1
1 232 . 8 1 1 A 22 22 ASP H H 137 8.410 8.919 -0.509 1
1 233 . 8 1 1 A 22 22 ASP HA H 137 4.287 4.505 -0.218 1
1 236 . 8 1 1 A 22 22 ASP CA C 137 57.497 57.174 0.323 1
1 237 . 8 1 1 A 22 22 ASP CB C 137 40.493 41.558 -1.065 1
1 238 . 8 1 1 A 22 22 ASP N N 137 115.420 119.947 -4.527 1
1 239 . 8 1 1 A 23 23 SER H H 138 7.946 7.815 0.131 1
1 240 . 8 1 1 A 23 23 SER HA H 138 4.475 4.324 0.151 1
1 243 . 8 1 1 A 23 23 SER CA C 138 60.543 60.752 -0.209 1
1 244 . 8 1 1 A 23 23 SER CB C 138 63.334 62.852 0.482 1
1 245 . 8 1 1 A 23 23 SER N N 138 117.133 114.094 3.039 1
1 246 . 8 1 1 A 24 24 LEU H H 139 7.338 7.345 -0.007 1
1 247 . 8 1 1 A 24 24 LEU HA H 139 4.333 4.327 0.006 1
1 257 . 8 1 1 A 24 24 LEU CA C 139 54.452 54.372 0.080 1
1 258 . 8 1 1 A 24 24 LEU CB C 139 42.016 42.087 -0.071 1
1 262 . 8 1 1 A 24 24 LEU N N 139 123.003 118.674 4.329 1
1 263 . 8 1 1 A 25 25 SER H H 140 7.698 8.030 -0.332 1
1 264 . 8 1 1 A 25 25 SER HA H 140 4.036 4.108 -0.072 1
1 268 . 8 1 1 A 25 25 SER CA C 140 58.005 59.057 -1.052 1
1 269 . 8 1 1 A 25 25 SER CB C 140 60.796 61.664 -0.868 1
1 270 . 8 1 1 A 25 25 SER N N 140 109.104 114.638 -5.534 1
1 271 . 8 1 1 A 26 26 PRO HA H 141 4.114 4.471 -0.357 1
1 278 . 8 1 1 A 26 26 PRO CA C 141 62.827 62.489 0.338 1
1 279 . 8 1 1 A 26 26 PRO CB C 141 32.650 32.734 -0.084 1
1 282 . 8 1 1 A 27 27 VAL H H 142 8.410 9.135 -0.725 1
1 283 . 8 1 1 A 27 27 VAL HA H 142 4.297 4.480 -0.183 1
1 291 . 8 1 1 A 27 27 VAL CA C 142 61.812 61.277 0.535 1
1 292 . 8 1 1 A 27 27 VAL CB C 142 33.641 31.983 1.658 1
1 295 . 8 1 1 A 27 27 VAL N N 142 120.987 121.142 -0.155 1
1 296 . 8 1 1 A 28 28 ASN H H 143 9.694 9.637 0.057 1
1 297 . 8 1 1 A 28 28 ASN HA H 143 4.425 4.563 -0.138 1
1 302 . 8 1 1 A 28 28 ASN CA C 143 54.198 54.945 -0.747 1
1 303 . 8 1 1 A 28 28 ASN CB C 143 37.701 37.577 0.124 1
1 304 . 8 1 1 A 28 28 ASN N N 143 127.946 127.582 0.364 1
1 306 . 8 1 1 A 29 29 GLY H H 144 8.410 8.781 -0.371 1
1 307 . 8 1 1 A 29 29 GLY HA2 H 144 3.582 3.696 -0.114 1
1 308 . 8 1 1 A 29 29 GLY HA3 H 144 3.976 3.914 0.062 1
1 309 . 8 1 1 A 29 29 GLY CA C 144 44.808 45.670 -0.862 1
1 310 . 8 1 1 A 29 29 GLY N N 144 99.790 104.215 -4.425 1
1 311 . 8 1 1 A 30 30 PHE H H 145 7.749 8.062 -0.313 1
1 312 . 8 1 1 A 30 30 PHE HA H 145 5.476 5.443 0.033 1
1 318 . 8 1 1 A 30 30 PHE CA C 145 56.736 56.664 0.072 1
1 319 . 8 1 1 A 30 30 PHE CB C 145 44.554 42.959 1.595 1
1 323 . 8 1 1 A 30 30 PHE N N 145 115.206 118.166 -2.960 1
1 324 . 8 1 1 A 31 31 LEU H H 146 9.492 9.294 0.198 1
1 325 . 8 1 1 A 31 31 LEU HA H 146 4.765 5.115 -0.350 1
1 335 . 8 1 1 A 31 31 LEU CA C 146 52.929 53.279 -0.350 1
1 336 . 8 1 1 A 31 31 LEU CB C 146 45.569 44.593 0.976 1
1 340 . 8 1 1 A 31 31 LEU N N 146 121.522 123.293 -1.771 1
1 341 . 8 1 1 A 32 32 SER H H 147 7.822 8.793 -0.971 1
1 342 . 8 1 1 A 32 32 SER HA H 147 4.951 5.005 -0.054 1
1 345 . 8 1 1 A 32 32 SER CA C 147 57.243 57.571 -0.328 1
1 346 . 8 1 1 A 32 32 SER CB C 147 64.603 66.184 -1.581 1
1 347 . 8 1 1 A 32 32 SER N N 147 116.938 117.372 -0.434 1
1 348 . 8 1 1 A 33 33 GLY H H 148 9.072 8.931 0.141 1
1 349 . 8 1 1 A 33 33 GLY HA2 H 148 3.689 3.442 0.247 1
1 350 . 8 1 1 A 33 33 GLY HA3 H 148 3.690 3.487 0.203 1
1 351 . 8 1 1 A 33 33 GLY CA C 148 48.614 47.271 1.343 1
1 352 . 8 1 1 A 33 33 GLY N N 148 109.104 111.699 -2.595 1
1 353 . 8 1 1 A 34 34 ASP H H 149 8.600 8.312 0.288 1
1 354 . 8 1 1 A 34 34 ASP HA H 149 4.222 4.284 -0.062 1
1 357 . 8 1 1 A 34 34 ASP CA C 149 56.228 56.372 -0.144 1
1 358 . 8 1 1 A 34 34 ASP CB C 149 39.985 39.431 0.554 1
1 359 . 8 1 1 A 34 34 ASP N N 149 117.454 121.821 -4.367 1
1 360 . 8 1 1 A 35 35 LYS H H 150 7.453 7.616 -0.163 1
1 361 . 8 1 1 A 35 35 LYS HA H 150 4.352 4.278 0.074 1
1 370 . 8 1 1 A 35 35 LYS CA C 150 57.497 57.902 -0.405 1
1 371 . 8 1 1 A 35 35 LYS CB C 150 34.402 33.458 0.944 1
1 375 . 8 1 1 A 35 35 LYS N N 150 117.347 118.422 -1.075 1
1 376 . 8 1 1 A 36 36 VAL H H 151 7.691 8.566 -0.875 1
1 377 . 8 1 1 A 36 36 VAL HA H 151 3.979 3.517 0.462 1
1 385 . 8 1 1 A 36 36 VAL CA C 151 65.365 66.741 -1.376 1
1 386 . 8 1 1 A 36 36 VAL CB C 151 33.894 31.691 2.203 1
1 389 . 8 1 1 A 36 36 VAL N N 151 116.919 120.320 -3.401 1
1 390 . 8 1 1 A 37 37 LYS H H 152 8.610 8.681 -0.071 1
1 391 . 8 1 1 A 37 37 LYS HA H 152 4.100 4.185 -0.085 1
1 399 . 8 1 1 A 37 37 LYS CA C 152 58.005 61.507 -3.502 1
1 400 . 8 1 1 A 37 37 LYS CB C 152 29.834 29.901 -0.067 1
1 404 . 8 1 1 A 37 37 LYS N N 152 120.916 120.704 0.212 1
1 405 . 8 1 1 A 38 38 PRO HA H 153 4.248 4.392 -0.144 1
1 412 . 8 1 1 A 38 38 PRO CA C 153 66.380 65.146 1.234 1
1 413 . 8 1 1 A 38 38 PRO CB C 153 31.610 31.189 0.421 1
1 416 . 8 1 1 A 39 39 VAL H H 154 7.059 7.659 -0.600 1
1 417 . 8 1 1 A 39 39 VAL HA H 154 4.100 4.734 -0.634 1
1 425 . 8 1 1 A 39 39 VAL CA C 154 65.872 62.239 3.633 1
1 426 . 8 1 1 A 39 39 VAL CB C 154 32.118 31.694 0.424 1
1 429 . 8 1 1 A 39 39 VAL N N 154 116.812 116.459 0.353 1
1 430 . 8 1 1 A 40 40 LEU H H 155 8.203 7.761 0.442 1
1 431 . 8 1 1 A 40 40 LEU HA H 155 4.206 4.390 -0.184 1
1 441 . 8 1 1 A 40 40 LEU CA C 155 62.070 55.617 6.453 1
1 442 . 8 1 1 A 40 40 LEU CB C 155 42.121 43.331 -1.210 1
1 445 . 8 1 1 A 40 40 LEU N N 155 117.561 120.373 -2.812 1
1 446 . 8 1 1 A 41 41 LEU H H 156 8.629 8.428 0.201 1
1 447 . 8 1 1 A 41 41 LEU HA H 156 4.141 4.271 -0.130 1
1 457 . 8 1 1 A 41 41 LEU CA C 156 58.000 55.329 2.671 1
1 458 . 8 1 1 A 41 41 LEU CB C 156 41.762 41.050 0.712 1
1 462 . 8 1 1 A 42 42 ASN HA H 157 4.785 4.454 0.331 1
1 465 . 8 1 1 A 42 42 ASN CA C 157 54.959 56.297 -1.338 1
1 466 . 8 1 1 A 42 42 ASN CB C 157 37.701 38.405 -0.704 1
1 467 . 8 1 1 A 43 43 SER H H 158 7.849 7.526 0.323 1
1 468 . 8 1 1 A 43 43 SER HA H 158 3.480 4.680 -1.200 1
1 471 . 8 1 1 A 43 43 SER CA C 158 60.796 56.310 4.486 1
1 472 . 8 1 1 A 43 43 SER CB C 158 64.096 66.110 -2.014 1
1 473 . 8 1 1 A 43 43 SER N N 158 114.778 111.828 2.950 1
1 474 . 8 1 1 A 44 44 LYS H H 159 7.633 8.540 -0.907 1
1 475 . 8 1 1 A 44 44 LYS HA H 159 3.868 4.383 -0.515 1
1 484 . 8 1 1 A 44 44 LYS CA C 159 58.005 56.613 1.392 1
1 485 . 8 1 1 A 44 44 LYS CB C 159 29.341 32.633 -3.292 1
1 489 . 8 1 1 A 44 44 LYS N N 159 111.031 122.327 -11.296 1
1 490 . 8 1 1 A 45 45 LEU H H 160 7.287 7.298 -0.011 1
1 491 . 8 1 1 A 45 45 LEU HA H 160 4.421 4.388 0.033 1
1 501 . 8 1 1 A 45 45 LEU CA C 160 53.183 53.312 -0.129 1
1 502 . 8 1 1 A 45 45 LEU CB C 160 41.508 41.341 0.167 1
1 506 . 8 1 1 A 45 45 LEU N N 160 121.094 122.480 -1.386 1
1 507 . 8 1 1 A 46 46 PRO HA H 161 4.493 4.714 -0.221 1
1 514 . 8 1 1 A 46 46 PRO CA C 161 62.065 61.963 0.102 1
1 515 . 8 1 1 A 46 46 PRO CB C 161 32.879 33.107 -0.228 1
1 518 . 8 1 1 A 47 47 VAL H H 162 8.112 8.649 -0.537 1
1 519 . 8 1 1 A 47 47 VAL HA H 162 3.437 3.757 -0.320 1
1 527 . 8 1 1 A 47 47 VAL CA C 162 66.634 64.940 1.694 1
1 528 . 8 1 1 A 47 47 VAL CB C 162 28.508 31.646 -3.138 1
1 531 . 8 1 1 A 47 47 VAL N N 162 121.522 120.582 0.940 1
1 532 . 8 1 1 A 48 48 ASP H H 163 8.753 8.231 0.522 1
1 533 . 8 1 1 A 48 48 ASP HA H 163 4.582 4.306 0.276 1
1 536 . 8 1 1 A 48 48 ASP CA C 163 56.990 57.787 -0.797 1
1 537 . 8 1 1 A 48 48 ASP CB C 163 40.239 41.290 -1.051 1
1 538 . 8 1 1 A 48 48 ASP N N 163 117.454 120.051 -2.597 1
1 539 . 8 1 1 A 49 49 ILE H H 164 7.051 7.511 -0.460 1
1 540 . 8 1 1 A 49 49 ILE HA H 164 3.802 3.869 -0.067 1
1 550 . 8 1 1 A 49 49 ILE CA C 164 63.081 64.328 -1.247 1
1 551 . 8 1 1 A 49 49 ILE CB C 164 36.940 37.499 -0.559 1
1 555 . 8 1 1 A 49 49 ILE N N 164 119.167 118.177 0.990 1
1 556 . 8 1 1 A 50 50 LEU H H 165 7.626 8.234 -0.608 1
1 557 . 8 1 1 A 50 50 LEU HA H 165 3.447 4.088 -0.641 1
1 567 . 8 1 1 A 50 50 LEU CA C 165 57.751 58.184 -0.433 1
1 568 . 8 1 1 A 50 50 LEU CB C 165 40.239 41.769 -1.530 1
1 572 . 8 1 1 A 50 50 LEU N N 165 119.274 122.108 -2.834 1
1 573 . 8 1 1 A 51 51 GLY H H 166 8.744 8.616 0.128 1
1 574 . 8 1 1 A 51 51 GLY HA2 H 166 3.480 3.757 -0.277 1
1 575 . 8 1 1 A 51 51 GLY HA3 H 166 2.888 3.792 -0.904 1
1 576 . 8 1 1 A 51 51 GLY CA C 166 46.584 47.338 -0.754 1
1 577 . 8 1 1 A 51 51 GLY N N 166 104.501 106.499 -1.998 1
1 578 . 8 1 1 A 52 52 ARG H H 167 7.189 7.845 -0.656 1
1 579 . 8 1 1 A 52 52 ARG HA H 167 3.977 4.110 -0.133 1
1 586 . 8 1 1 A 52 52 ARG CA C 167 59.527 59.699 -0.172 1
1 587 . 8 1 1 A 52 52 ARG CB C 167 29.834 30.308 -0.474 1
1 590 . 8 1 1 A 52 52 ARG N N 167 122.700 122.307 0.393 1
1 591 . 8 1 1 A 53 53 VAL H H 168 8.411 8.470 -0.059 1
1 592 . 8 1 1 A 53 53 VAL HA H 168 3.390 3.720 -0.330 1
1 600 . 8 1 1 A 53 53 VAL CA C 168 67.395 66.631 0.764 1
1 601 . 8 1 1 A 53 53 VAL CB C 168 31.103 31.725 -0.622 1
1 604 . 8 1 1 A 53 53 VAL N N 168 119.596 120.123 -0.527 1
1 605 . 8 1 1 A 54 54 TRP H H 169 8.573 8.803 -0.230 1
1 606 . 8 1 1 A 54 54 TRP HA H 169 3.738 4.237 -0.499 1
1 615 . 8 1 1 A 54 54 TRP CA C 169 61.812 60.963 0.849 1
1 616 . 8 1 1 A 54 54 TRP CB C 169 27.550 29.982 -2.432 1
1 622 . 8 1 1 A 54 54 TRP N N 169 121.308 121.135 0.173 1
1 624 . 8 1 1 A 55 55 GLU H H 170 7.783 8.208 -0.425 1
1 625 . 8 1 1 A 55 55 GLU HA H 170 4.030 4.228 -0.198 1
1 630 . 8 1 1 A 55 55 GLU CA C 170 59.020 59.031 -0.011 1
1 631 . 8 1 1 A 55 55 GLU CB C 170 30.088 29.846 0.242 1
1 633 . 8 1 1 A 55 55 GLU N N 170 116.384 119.835 -3.451 1
1 634 . 8 1 1 A 56 56 LEU H H 171 8.005 8.282 -0.277 1
1 635 . 8 1 1 A 56 56 LEU HA H 171 4.003 4.232 -0.229 1
1 645 . 8 1 1 A 56 56 LEU CA C 171 56.736 57.346 -0.610 1
1 646 . 8 1 1 A 56 56 LEU CB C 171 43.539 42.255 1.284 1
1 650 . 8 1 1 A 56 56 LEU N N 171 115.771 121.071 -5.300 1
1 651 . 8 1 1 A 57 57 SER H H 172 7.501 9.075 -1.574 1
1 652 . 8 1 1 A 57 57 SER HA H 172 4.154 4.385 -0.231 1
1 655 . 8 1 1 A 57 57 SER CA C 172 61.812 61.253 0.559 1
1 656 . 8 1 1 A 57 57 SER CB C 172 63.588 63.317 0.271 1
1 657 . 8 1 1 A 57 57 SER N N 172 112.209 114.157 -1.948 1
1 658 . 8 1 1 A 58 58 ASP H H 173 7.592 7.502 0.090 1
1 659 . 8 1 1 A 58 58 ASP HA H 173 4.550 4.455 0.095 1
1 662 . 8 1 1 A 58 58 ASP CA C 173 51.914 53.104 -1.190 1
1 663 . 8 1 1 A 58 58 ASP CB C 173 36.940 39.756 -2.816 1
1 664 . 8 1 1 A 58 58 ASP N N 173 117.133 120.317 -3.184 1
1 665 . 8 1 1 A 59 59 ILE H H 174 8.078 7.686 0.392 1
1 666 . 8 1 1 A 59 59 ILE HA H 174 3.354 3.576 -0.222 1
1 676 . 8 1 1 A 59 59 ILE CA C 174 64.857 64.527 0.330 1
1 677 . 8 1 1 A 59 59 ILE CB C 174 39.985 37.846 2.139 1
1 681 . 8 1 1 A 59 59 ILE N N 174 128.160 125.881 2.279 1
1 682 . 8 1 1 A 60 60 ASP H H 175 7.795 7.956 -0.161 1
1 683 . 8 1 1 A 60 60 ASP HA H 175 4.361 4.435 -0.074 1
1 686 . 8 1 1 A 60 60 ASP CA C 175 52.167 53.098 -0.931 1
1 687 . 8 1 1 A 60 60 ASP CB C 175 39.732 40.089 -0.357 1
1 688 . 8 1 1 A 60 60 ASP N N 175 113.493 117.347 -3.854 1
1 689 . 8 1 1 A 61 61 HIS H H 176 7.521 7.697 -0.176 1
1 690 . 8 1 1 A 61 61 HIS HA H 176 4.236 4.568 -0.332 1
1 694 . 8 1 1 A 61 61 HIS CA C 176 56.228 56.912 -0.684 1
1 695 . 8 1 1 A 61 61 HIS CB C 176 26.534 26.600 -0.066 1
1 697 . 8 1 1 A 61 61 HIS N N 176 112.637 113.727 -1.090 1
1 698 . 8 1 1 A 62 62 ASP H H 177 8.547 8.013 0.534 1
1 699 . 8 1 1 A 62 62 ASP HA H 177 4.769 4.428 0.341 1
1 702 . 8 1 1 A 62 62 ASP CA C 177 53.436 53.434 0.002 1
1 703 . 8 1 1 A 62 62 ASP CB C 177 40.747 40.125 0.622 1
1 704 . 8 1 1 A 62 62 ASP N N 177 118.739 119.269 -0.530 1
1 705 . 8 1 1 A 63 63 GLY H H 178 10.793 8.833 1.960 1
1 706 . 8 1 1 A 63 63 GLY HA2 H 178 4.398 4.055 0.343 1
1 707 . 8 1 1 A 63 63 GLY HA3 H 178 3.946 4.173 -0.227 1
1 708 . 8 1 1 A 63 63 GLY CA C 178 46.330 45.567 0.763 1
1 709 . 8 1 1 A 63 63 GLY N N 178 112.958 111.053 1.905 1
1 710 . 8 1 1 A 64 64 MET H H 179 8.337 7.885 0.452 1
1 711 . 8 1 1 A 64 64 MET HA H 179 5.360 5.118 0.242 1
1 719 . 8 1 1 A 64 64 MET CA C 179 52.929 54.209 -1.280 1
1 720 . 8 1 1 A 64 64 MET CB C 179 36.432 37.621 -1.189 1
1 722 . 8 1 1 A 64 64 MET N N 179 118.525 119.296 -0.771 1
1 723 . 8 1 1 A 65 65 LEU H H 180 9.471 9.585 -0.114 1
1 724 . 8 1 1 A 65 65 LEU HA H 180 5.838 5.046 0.792 1
1 734 . 8 1 1 A 65 65 LEU CA C 180 53.436 53.627 -0.191 1
1 735 . 8 1 1 A 65 65 LEU CB C 180 43.285 43.194 0.091 1
1 739 . 8 1 1 A 65 65 LEU N N 180 120.987 122.028 -1.041 1
1 740 . 8 1 1 A 66 66 ASP H H 181 9.203 8.965 0.238 1
1 741 . 8 1 1 A 66 66 ASP HA H 181 5.378 4.617 0.761 1
1 744 . 8 1 1 A 66 66 ASP CA C 181 51.914 53.475 -1.561 1
1 745 . 8 1 1 A 66 66 ASP CB C 181 40.493 41.695 -1.202 1
1 746 . 8 1 1 A 66 66 ASP N N 181 124.306 125.378 -1.072 1
1 747 . 8 1 1 A 67 67 ARG H H 182 8.130 8.334 -0.204 1
1 748 . 8 1 1 A 67 67 ARG HA H 182 2.758 3.140 -0.382 1
1 755 . 8 1 1 A 67 67 ARG CA C 182 60.543 59.436 1.107 1
1 756 . 8 1 1 A 67 67 ARG CB C 182 30.595 29.498 1.097 1
1 759 . 8 1 1 A 67 67 ARG N N 182 117.454 125.732 -8.278 1
1 760 . 8 1 1 A 68 68 ASP H H 183 7.871 8.481 -0.610 1
1 761 . 8 1 1 A 68 68 ASP HA H 183 4.748 4.626 0.122 1
1 764 . 8 1 1 A 68 68 ASP CA C 183 57.497 56.835 0.662 1
1 765 . 8 1 1 A 68 68 ASP CB C 183 40.747 40.469 0.278 1
1 766 . 8 1 1 A 68 68 ASP N N 183 119.703 119.452 0.251 1
1 767 . 8 1 1 A 69 69 GLU H H 184 8.775 8.304 0.471 1
1 768 . 8 1 1 A 69 69 GLU HA H 184 3.975 4.129 -0.154 1
1 773 . 8 1 1 A 69 69 GLU CA C 184 59.781 59.521 0.260 1
1 774 . 8 1 1 A 69 69 GLU CB C 184 31.762 29.562 2.200 1
1 776 . 8 1 1 A 69 69 GLU N N 184 120.987 121.078 -0.091 1
1 777 . 8 1 1 A 70 70 PHE H H 185 9.331 9.062 0.269 1
1 778 . 8 1 1 A 70 70 PHE HA H 185 4.198 4.186 0.012 1
1 784 . 8 1 1 A 70 70 PHE CA C 185 61.812 61.712 0.100 1
1 785 . 8 1 1 A 70 70 PHE CB C 185 39.957 38.952 1.005 1
1 788 . 8 1 1 A 70 70 PHE N N 185 118.632 121.797 -3.165 1
1 789 . 8 1 1 A 71 71 ALA H H 186 7.622 8.283 -0.661 1
1 790 . 8 1 1 A 71 71 ALA HA H 186 3.991 4.213 -0.222 1
1 794 . 8 1 1 A 71 71 ALA CA C 186 55.213 55.311 -0.098 1
1 795 . 8 1 1 A 71 71 ALA CB C 186 18.921 18.283 0.638 1
1 796 . 8 1 1 A 71 71 ALA N N 186 120.131 121.376 -1.245 1
1 797 . 8 1 1 A 72 72 VAL H H 187 7.670 8.149 -0.479 1
1 798 . 8 1 1 A 72 72 VAL HA H 187 3.438 3.483 -0.045 1
1 806 . 8 1 1 A 72 72 VAL CA C 187 67.617 66.704 0.913 1
1 807 . 8 1 1 A 72 72 VAL CB C 187 31.357 31.686 -0.329 1
1 810 . 8 1 1 A 72 72 VAL N N 187 117.776 119.173 -1.397 1
1 811 . 8 1 1 A 73 73 ALA H H 188 8.040 8.263 -0.223 1
1 812 . 8 1 1 A 73 73 ALA HA H 188 3.892 4.252 -0.360 1
1 816 . 8 1 1 A 73 73 ALA CA C 188 55.974 55.562 0.412 1
1 817 . 8 1 1 A 73 73 ALA CB C 188 16.637 18.642 -2.005 1
1 818 . 8 1 1 A 73 73 ALA N N 188 122.058 122.016 0.042 1
1 819 . 8 1 1 A 74 74 MET H H 189 7.908 8.184 -0.276 1
1 820 . 8 1 1 A 74 74 MET HA H 189 3.900 3.854 0.046 1
1 828 . 8 1 1 A 74 74 MET CA C 189 55.974 58.221 -2.247 1
1 829 . 8 1 1 A 74 74 MET CB C 189 29.072 31.052 -1.980 1
1 832 . 8 1 1 A 74 74 MET N N 189 114.029 117.046 -3.017 1
1 833 . 8 1 1 A 75 75 PHE H H 190 8.298 7.999 0.299 1
1 834 . 8 1 1 A 75 75 PHE HA H 190 4.245 4.385 -0.140 1
1 840 . 8 1 1 A 75 75 PHE CA C 190 61.812 61.397 0.415 1
1 841 . 8 1 1 A 75 75 PHE CB C 190 39.732 39.267 0.465 1
1 844 . 8 1 1 A 75 75 PHE N N 190 121.174 122.064 -0.890 1
1 845 . 8 1 1 A 76 76 LEU H H 191 8.761 8.234 0.527 1
1 846 . 8 1 1 A 76 76 LEU HA H 191 3.987 3.986 0.001 1
1 856 . 8 1 1 A 76 76 LEU CA C 191 58.005 57.469 0.536 1
1 857 . 8 1 1 A 76 76 LEU CB C 191 43.792 41.591 2.201 1
1 859 . 8 1 1 A 76 76 LEU N N 191 119.596 119.452 0.144 1
1 860 . 8 1 1 A 77 77 VAL H H 192 8.392 7.761 0.631 1
1 861 . 8 1 1 A 77 77 VAL HA H 192 3.205 3.510 -0.305 1
1 869 . 8 1 1 A 77 77 VAL CA C 192 67.395 66.260 1.135 1
1 870 . 8 1 1 A 77 77 VAL CB C 192 30.595 31.617 -1.022 1
1 873 . 8 1 1 A 77 77 VAL N N 192 120.773 119.229 1.544 1
1 874 . 8 1 1 A 78 78 TYR H H 193 8.617 7.787 0.830 1
1 875 . 8 1 1 A 78 78 TYR HA H 193 3.916 4.275 -0.359 1
1 880 . 8 1 1 A 78 78 TYR CA C 193 64.350 60.955 3.395 1
1 881 . 8 1 1 A 78 78 TYR CB C 193 36.940 37.166 -0.226 1
1 884 . 8 1 1 A 78 78 TYR N N 193 118.418 118.306 0.112 1
1 885 . 8 1 1 A 79 79 CYS H H 194 7.979 8.133 -0.154 1
1 886 . 8 1 1 A 79 79 CYS HA H 194 3.980 3.827 0.153 1
1 889 . 8 1 1 A 79 79 CYS CA C 194 63.842 62.171 1.671 1
1 890 . 8 1 1 A 79 79 CYS CB C 194 25.773 26.404 -0.631 1
1 891 . 8 1 1 A 79 79 CYS N N 194 117.133 118.623 -1.490 1
1 892 . 8 1 1 A 80 80 ALA H H 195 7.979 7.717 0.262 1
1 893 . 8 1 1 A 80 80 ALA HA H 195 4.372 4.256 0.116 1
1 897 . 8 1 1 A 80 80 ALA CA C 195 54.959 54.950 0.009 1
1 898 . 8 1 1 A 80 80 ALA CB C 195 17.906 18.412 -0.506 1
1 899 . 8 1 1 A 80 80 ALA N N 195 123.128 122.913 0.215 1
1 900 . 8 1 1 A 81 81 LEU H H 196 8.620 7.891 0.729 1
1 901 . 8 1 1 A 81 81 LEU HA H 196 3.957 3.974 -0.017 1
1 911 . 8 1 1 A 81 81 LEU CA C 196 57.497 57.618 -0.121 1
1 912 . 8 1 1 A 81 81 LEU CB C 196 40.747 41.162 -0.415 1
1 916 . 8 1 1 A 81 81 LEU N N 196 123.021 119.468 3.553 1
1 917 . 8 1 1 A 82 82 GLU H H 197 7.483 8.190 -0.707 1
1 918 . 8 1 1 A 82 82 GLU HA H 197 4.497 4.218 0.279 1
1 923 . 8 1 1 A 82 82 GLU CA C 197 56.418 55.478 0.940 1
1 924 . 8 1 1 A 82 82 GLU CB C 197 28.819 28.486 0.333 1
1 926 . 8 1 1 A 82 82 GLU N N 197 118.311 115.147 3.164 1
1 927 . 8 1 1 A 83 83 LYS H H 198 7.832 7.907 -0.075 1
1 928 . 8 1 1 A 83 83 LYS HA H 198 3.805 3.941 -0.136 1
1 937 . 8 1 1 A 83 83 LYS CA C 198 57.497 57.490 0.007 1
1 938 . 8 1 1 A 83 83 LYS CB C 198 28.057 29.340 -1.283 1
1 942 . 8 1 1 A 83 83 LYS N N 198 111.674 113.762 -2.088 1
1 943 . 8 1 1 A 84 84 GLU H H 199 8.098 8.153 -0.055 1
1 944 . 8 1 1 A 84 84 GLU HA H 199 4.635 4.496 0.139 1
1 949 . 8 1 1 A 84 84 GLU CA C 199 53.944 53.951 -0.007 1
1 950 . 8 1 1 A 84 84 GLU CB C 199 29.580 29.734 -0.154 1
1 952 . 8 1 1 A 84 84 GLU N N 199 121.737 119.146 2.591 1
1 953 . 8 1 1 A 85 85 PRO HA H 200 4.344 4.575 -0.231 1
1 960 . 8 1 1 A 85 85 PRO CA C 200 62.065 62.776 -0.711 1
1 961 . 8 1 1 A 85 85 PRO CB C 200 32.118 32.563 -0.445 1
1 964 . 8 1 1 A 86 86 VAL H H 201 8.534 8.487 0.047 1
1 965 . 8 1 1 A 86 86 VAL HA H 201 4.275 4.468 -0.193 1
1 973 . 8 1 1 A 86 86 VAL CA C 201 60.035 59.559 0.476 1
1 974 . 8 1 1 A 86 86 VAL CB C 201 32.118 32.119 -0.001 1
1 977 . 8 1 1 A 86 86 VAL N N 201 125.055 123.352 1.703 1
1 978 . 8 1 1 A 87 87 PRO HA H 202 4.571 4.780 -0.209 1
1 985 . 8 1 1 A 87 87 PRO CA C 202 62.827 62.473 0.354 1
1 986 . 8 1 1 A 87 87 PRO CB C 202 32.879 33.352 -0.473 1
1 989 . 8 1 1 A 88 88 MET H H 203 8.536 8.940 -0.404 1
1 990 . 8 1 1 A 88 88 MET HA H 203 4.437 4.525 -0.088 1
1 998 . 8 1 1 A 88 88 MET CA C 203 55.974 56.541 -0.567 1
1 999 . 8 1 1 A 88 88 MET CB C 203 32.372 33.207 -0.835 1
1 1001 . 8 1 1 A 88 88 MET N N 203 114.671 118.955 -4.284 1
1 1002 . 8 1 1 A 89 89 SER H H 204 7.588 7.778 -0.190 1
1 1003 . 8 1 1 A 89 89 SER HA H 204 4.482 4.843 -0.361 1
1 1006 . 8 1 1 A 89 89 SER CA C 204 56.482 57.446 -0.964 1
1 1007 . 8 1 1 A 89 89 SER CB C 204 65.111 66.275 -1.164 1
1 1008 . 8 1 1 A 89 89 SER N N 204 110.603 115.288 -4.685 1
1 1009 . 8 1 1 A 90 90 LEU H H 205 9.188 8.214 0.974 1
1 1010 . 8 1 1 A 90 90 LEU HA H 205 4.314 4.900 -0.586 1
1 1020 . 8 1 1 A 90 90 LEU CA C 205 53.436 52.007 1.429 1
1 1021 . 8 1 1 A 90 90 LEU CB C 205 41.785 43.109 -1.324 1
1 1024 . 8 1 1 A 90 90 LEU N N 205 124.627 119.971 4.656 1
1 1025 . 8 1 1 A 91 91 PRO HA H 206 4.794 4.653 0.141 1
1 1032 . 8 1 1 A 91 91 PRO CA C 206 61.304 62.406 -1.102 1
1 1033 . 8 1 1 A 91 91 PRO CB C 206 31.116 31.750 -0.634 1
1 1036 . 8 1 1 A 92 92 PRO HA H 207 4.221 4.334 -0.113 1
1 1043 . 8 1 1 A 92 92 PRO CA C 207 66.057 64.748 1.309 1
1 1044 . 8 1 1 A 92 92 PRO CB C 207 31.889 31.767 0.122 1
1 1047 . 8 1 1 A 93 93 ALA H H 208 8.509 8.146 0.363 1
1 1048 . 8 1 1 A 93 93 ALA HA H 208 4.181 4.159 0.022 1
1 1052 . 8 1 1 A 93 93 ALA CA C 208 54.198 54.365 -0.167 1
1 1053 . 8 1 1 A 93 93 ALA CB C 208 18.413 18.448 -0.035 1
1 1054 . 8 1 1 A 93 93 ALA N N 208 115.742 120.303 -4.561 1
1 1055 . 8 1 1 A 94 94 LEU H H 209 8.225 8.146 0.079 1
1 1056 . 8 1 1 A 94 94 LEU HA H 209 4.341 4.414 -0.073 1
1 1066 . 8 1 1 A 94 94 LEU CA C 209 54.452 53.816 0.636 1
1 1067 . 8 1 1 A 94 94 LEU CB C 209 43.285 42.060 1.225 1
1 1071 . 8 1 1 A 94 94 LEU N N 209 118.204 111.124 7.080 1
1 1072 . 8 1 1 A 95 95 VAL H H 210 7.400 7.620 -0.220 1
1 1073 . 8 1 1 A 95 95 VAL HA H 210 3.762 4.547 -0.785 1
1 1081 . 8 1 1 A 95 95 VAL CA C 210 61.812 60.282 1.530 1
1 1082 . 8 1 1 A 95 95 VAL CB C 210 32.118 32.716 -0.598 1
1 1085 . 8 1 1 A 95 95 VAL N N 210 123.021 121.363 1.658 1
1 1089 . 8 1 1 A 97 97 PRO HA H 212 3.641 4.148 -0.507 1
1 1096 . 8 1 1 A 97 97 PRO CA C 212 66.126 65.270 0.856 1
1 1097 . 8 1 1 A 97 97 PRO CB C 212 31.864 31.792 0.072 1
1 1100 . 8 1 1 A 98 98 SER H H 213 8.243 8.056 0.187 1
1 1101 . 8 1 1 A 98 98 SER HA H 213 4.124 4.261 -0.137 1
1 1104 . 8 1 1 A 98 98 SER CA C 213 59.781 59.804 -0.023 1
1 1105 . 8 1 1 A 98 98 SER CB C 213 62.573 62.865 -0.292 1
1 1106 . 8 1 1 A 98 98 SER N N 213 110.924 111.846 -0.922 1
1 1107 . 8 1 1 A 99 99 LYS H H 214 8.125 8.023 0.102 1
1 1108 . 8 1 1 A 99 99 LYS HA H 214 4.563 4.431 0.132 1
1 1117 . 8 1 1 A 99 99 LYS CA C 214 54.198 55.407 -1.209 1
1 1118 . 8 1 1 A 99 99 LYS CB C 214 32.879 32.698 0.181 1
1 1122 . 8 1 1 A 99 99 LYS N N 214 120.024 117.577 2.447 1
1 1180 . 8 2 2 B 7 7 SER HA H 302 4.483 3.940 0.543 1
1 1183 . 8 2 2 B 7 7 SER CA C 302 58.429 59.584 -1.155 1
1 1184 . 8 2 2 B 7 7 SER CB C 302 63.758 61.965 1.793 1
1 1185 . 8 2 2 B 8 8 VAL H H 303 8.238 8.010 0.228 1
1 1186 . 8 2 2 B 8 8 VAL HA H 303 4.252 4.423 -0.171 1
1 1194 . 8 2 2 B 8 8 VAL CA C 303 62.311 61.175 1.136 1
1 1195 . 8 2 2 B 8 8 VAL CB C 303 32.824 32.990 -0.166 1
1 1198 . 8 2 2 B 8 8 VAL N N 303 121.875 118.723 3.152 1
1 1199 . 8 2 2 B 9 9 THR H H 304 8.221 7.706 0.515 1
1 1200 . 8 2 2 B 9 9 THR HA H 304 4.369 4.260 0.109 1
1 1205 . 8 2 2 B 9 9 THR CA C 304 61.795 63.537 -1.742 1
1 1206 . 8 2 2 B 9 9 THR CB C 304 69.666 68.980 0.686 1
1 1208 . 8 2 2 B 9 9 THR N N 304 117.435 118.216 -0.781 1
1 1209 . 8 2 2 B 10 10 GLU H H 305 8.342 7.722 0.620 1
1 1210 . 8 2 2 B 10 10 GLU HA H 305 4.292 4.658 -0.366 1
1 1215 . 8 2 2 B 10 10 GLU CA C 305 56.488 55.450 1.038 1
1 1216 . 8 2 2 B 10 10 GLU CB C 305 30.344 30.919 -0.575 1
1 1218 . 8 2 2 B 10 10 GLU N N 305 123.467 122.299 1.168 1
1 1219 . 8 2 2 B 11 11 ALA H H 306 8.299 8.537 -0.238 1
1 1220 . 8 2 2 B 11 11 ALA HA H 306 4.330 4.657 -0.327 1
1 1224 . 8 2 2 B 11 11 ALA CA C 306 52.164 51.180 0.984 1
1 1225 . 8 2 2 B 11 11 ALA CB C 306 19.377 20.205 -0.828 1
1 1226 . 8 2 2 B 11 11 ALA N N 306 124.975 129.843 -4.868 1
1 1227 . 8 2 2 B 12 12 SER H H 307 8.304 7.656 0.648 1
1 1228 . 8 2 2 B 12 12 SER HA H 307 4.628 4.709 -0.081 1
1 1231 . 8 2 2 B 12 12 SER CA C 307 56.214 56.408 -0.194 1
1 1232 . 8 2 2 B 12 12 SER CB C 307 63.419 63.124 0.295 1
1 1233 . 8 2 2 B 12 12 SER N N 307 116.597 112.654 3.943 1
1 1234 . 8 2 2 B 13 13 PRO HA H 308 4.395 4.379 0.016 1
1 1241 . 8 2 2 B 13 13 PRO CA C 308 63.060 63.574 -0.514 1
1 1242 . 8 2 2 B 13 13 PRO CB C 308 31.844 31.904 -0.060 1
1 1245 . 8 2 2 B 14 14 TRP H H 309 8.038 7.567 0.471 1
1 1246 . 8 2 2 B 14 14 TRP HA H 309 4.930 4.997 -0.067 1
1 1255 . 8 2 2 B 14 14 TRP CA C 309 54.944 55.940 -0.996 1
1 1256 . 8 2 2 B 14 14 TRP CB C 309 30.324 33.056 -2.732 1
1 1262 . 8 2 2 B 14 14 TRP N N 309 121.372 121.939 -0.567 1
1 1264 . 8 2 2 B 15 15 ARG H H 310 8.827 8.621 0.206 1
1 1265 . 8 2 2 B 15 15 ARG HA H 310 4.336 4.461 -0.125 1
1 1272 . 8 2 2 B 15 15 ARG CA C 310 56.617 55.645 0.972 1
1 1273 . 8 2 2 B 15 15 ARG CB C 310 31.336 29.237 2.099 1
1 1276 . 8 2 2 B 15 15 ARG N N 310 122.043 120.375 1.668 1
1 1277 . 8 2 2 B 16 16 ALA H H 311 8.551 8.426 0.125 1
1 1278 . 8 2 2 B 16 16 ALA HA H 311 4.140 3.955 0.185 1
1 1282 . 8 2 2 B 16 16 ALA CA C 311 54.460 55.210 -0.750 1
1 1283 . 8 2 2 B 16 16 ALA CB C 311 18.884 17.177 1.707 1
1 1284 . 8 2 2 B 16 16 ALA N N 311 120.702 118.490 2.212 1
1 1285 . 8 2 2 B 17 17 THR H H 312 7.286 8.973 -1.687 1
1 1286 . 8 2 2 B 17 17 THR HA H 312 4.219 4.252 -0.033 1
1 1291 . 8 2 2 B 17 17 THR CA C 312 60.544 63.151 -2.607 1
1 1292 . 8 2 2 B 17 17 THR CB C 312 68.647 69.467 -0.820 1
1 1294 . 8 2 2 B 17 17 THR N N 312 124.807 109.513 15.294 1
1 1295 . 8 2 2 B 18 18 ASN H H 313 7.918 7.860 0.058 1
1 1296 . 8 2 2 B 18 18 ASN HA H 313 4.269 5.025 -0.756 1
1 1301 . 8 2 2 B 18 18 ASN CA C 313 50.640 50.615 0.025 1
1 1302 . 8 2 2 B 18 18 ASN CB C 313 39.462 39.740 -0.278 1
1 1303 . 8 2 2 B 18 18 ASN N N 313 123.467 122.672 0.795 1
1 1305 . 8 2 2 B 19 19 PRO HA H 314 4.135 4.390 -0.255 1
1 1312 . 8 2 2 B 19 19 PRO CA C 314 63.314 63.634 -0.320 1
1 1313 . 8 2 2 B 19 19 PRO CB C 314 31.336 31.692 -0.356 1
1 1316 . 8 2 2 B 20 20 PHE H H 315 8.568 7.899 0.669 1
1 1317 . 8 2 2 B 20 20 PHE HA H 315 4.144 4.648 -0.504 1
1 1323 . 8 2 2 B 20 20 PHE CA C 315 59.513 58.120 1.393 1
1 1324 . 8 2 2 B 20 20 PHE CB C 315 37.658 40.517 -2.859 1
1 1328 . 8 2 2 B 20 20 PHE N N 315 116.848 119.358 -2.510 1
1 1329 . 8 2 2 B 21 21 LEU H H 316 7.332 8.239 -0.907 1
1 1330 . 8 2 2 B 21 21 LEU HA H 316 4.393 4.289 0.104 1
1 1340 . 8 2 2 B 21 21 LEU CA C 316 55.961 57.284 -1.323 1
1 1341 . 8 2 2 B 21 21 LEU CB C 316 43.017 41.605 1.412 1
1 1345 . 8 2 2 B 21 21 LEU N N 316 120.283 117.944 2.339 1
1 1346 . 8 2 2 B 22 22 ASN H H 317 8.010 8.343 -0.333 1
1 1347 . 8 2 2 B 22 22 ASN HA H 317 4.613 4.827 -0.214 1
1 1352 . 8 2 2 B 22 22 ASN CA C 317 53.224 52.401 0.823 1
1 1353 . 8 2 2 B 22 22 ASN CB C 317 38.714 38.031 0.683 1
1 1354 . 8 2 2 B 22 22 ASN N N 317 117.602 117.785 -0.183 1
1 1356 . 8 2 2 B 23 23 GLU H H 318 8.344 7.998 0.346 1
1 1357 . 8 2 2 B 23 23 GLU HA H 318 4.373 4.230 0.143 1
1 1362 . 8 2 2 B 23 23 GLU CA C 318 56.974 58.731 -1.757 1
1 1363 . 8 2 2 B 23 23 GLU CB C 318 30.323 29.718 0.605 1
1 1365 . 8 2 2 B 23 23 GLU N N 318 121.523 119.597 1.926 1
1 1366 . 8 2 2 B 24 24 THR H H 319 8.295 7.662 0.633 1
1 1367 . 8 2 2 B 24 24 THR HA H 319 4.398 4.397 0.001 1
1 1372 . 8 2 2 B 24 24 THR CA C 319 61.940 61.645 0.295 1
1 1373 . 8 2 2 B 24 24 THR CB C 319 70.138 66.805 3.333 1
1 1375 . 8 2 2 B 24 24 THR N N 319 115.089 112.018 3.071 1
1 1376 . 8 2 2 B 25 25 LEU H H 320 8.639 8.182 0.457 1
1 1377 . 8 2 2 B 25 25 LEU HA H 320 4.237 4.494 -0.257 1
1 1387 . 8 2 2 B 25 25 LEU CA C 320 55.196 55.436 -0.240 1
1 1388 . 8 2 2 B 25 25 LEU CB C 320 40.733 43.175 -2.442 1
1 1392 . 8 2 2 B 25 25 LEU N N 320 122.143 118.607 3.536 1
1 1393 . 8 2 2 B 26 26 GLN H H 321 8.121 7.696 0.425 1
1 1394 . 8 2 2 B 26 26 GLN HA H 321 4.217 4.543 -0.326 1
1 1401 . 8 2 2 B 26 26 GLN CA C 321 56.987 56.005 0.982 1
1 1402 . 8 2 2 B 26 26 GLN CB C 321 29.309 30.378 -1.069 1
1 1404 . 8 2 2 B 26 26 GLN N N 321 119.864 117.632 2.232 1
1 1406 . 8 2 2 B 27 27 ASP H H 322 8.489 8.943 -0.454 1
1 1407 . 8 2 2 B 27 27 ASP HA H 322 4.656 4.593 0.063 1
1 1410 . 8 2 2 B 27 27 ASP CA C 322 54.170 54.349 -0.179 1
1 1411 . 8 2 2 B 27 27 ASP CB C 322 40.758 42.198 -1.440 1
1 1412 . 8 2 2 B 27 27 ASP N N 322 119.864 125.106 -5.242 1
1 1413 . 8 2 2 B 28 28 VAL H H 323 7.588 7.385 0.203 1
1 1414 . 8 2 2 B 28 28 VAL HA H 323 4.094 3.957 0.137 1
1 1422 . 8 2 2 B 28 28 VAL CA C 323 61.797 63.131 -1.334 1
1 1423 . 8 2 2 B 28 28 VAL CB C 323 32.915 31.500 1.415 1
1 1426 . 8 2 2 B 28 28 VAL N N 323 119.446 122.145 -2.699 1
1 1427 . 8 2 2 B 29 29 GLN H H 324 8.451 8.362 0.089 1
1 1428 . 8 2 2 B 29 29 GLN HA H 324 4.633 5.010 -0.377 1
1 1435 . 8 2 2 B 29 29 GLN CA C 324 53.138 53.389 -0.251 1
1 1436 . 8 2 2 B 29 29 GLN CB C 324 28.795 29.575 -0.780 1
1 1438 . 8 2 2 B 29 29 GLN N N 324 125.897 127.540 -1.643 1
1 1440 . 8 2 2 B 30 30 PRO HA H 325 4.486 4.667 -0.181 1
1 1447 . 8 2 2 B 30 30 PRO CA C 325 62.553 62.406 0.147 1
1 1448 . 8 2 2 B 30 30 PRO CB C 325 32.316 33.061 -0.745 1
1 1451 . 8 2 2 B 31 31 SER H H 326 7.858 8.448 -0.590 1
1 1452 . 8 2 2 B 31 31 SER HA H 326 4.734 4.949 -0.215 1
1 1455 . 8 2 2 B 31 31 SER CA C 326 55.447 55.062 0.385 1
1 1456 . 8 2 2 B 31 31 SER CB C 326 63.822 64.720 -0.898 1
1 1457 . 8 2 2 B 31 31 SER N N 326 115.759 114.521 1.238 1
1 1458 . 8 2 2 B 32 32 PRO HA H 327 4.554 4.488 0.066 1
1 1465 . 8 2 2 B 32 32 PRO CA C 327 64.076 63.727 0.349 1
1 1466 . 8 2 2 B 32 32 PRO CB C 327 32.098 31.948 0.150 1
1 1469 . 8 2 2 B 33 33 ILE H H 328 8.233 7.830 0.403 1
1 1470 . 8 2 2 B 33 33 ILE HA H 328 3.829 4.374 -0.545 1
1 1480 . 8 2 2 B 33 33 ILE CA C 328 58.518 61.080 -2.562 1
1 1481 . 8 2 2 B 33 33 ILE CB C 328 36.419 38.621 -2.202 1
1 1485 . 8 2 2 B 33 33 ILE N N 328 121.037 118.600 2.437 1
1 1486 . 8 2 2 B 34 34 ASN H H 329 8.672 7.607 1.065 1
1 1487 . 8 2 2 B 34 34 ASN HA H 329 5.225 5.116 0.109 1
1 1492 . 8 2 2 B 34 34 ASN CA C 329 49.359 51.343 -1.984 1
1 1493 . 8 2 2 B 34 34 ASN CB C 329 38.952 38.854 0.098 1
1 1494 . 8 2 2 B 34 34 ASN N N 329 121.624 121.375 0.249 1
1 1496 . 8 2 2 B 35 35 PRO HA H 330 4.509 4.401 0.108 1
1 1503 . 8 2 2 B 35 35 PRO CA C 330 62.553 63.790 -1.237 1
1 1504 . 8 2 2 B 35 35 PRO CB C 330 31.844 32.443 -0.599 1
1 1507 . 8 2 2 B 36 36 PHE H H 331 7.738 8.324 -0.586 1
1 1508 . 8 2 2 B 36 36 PHE HA H 331 4.836 5.142 -0.306 1
1 1514 . 8 2 2 B 36 36 PHE CA C 331 56.981 57.497 -0.516 1
1 1515 . 8 2 2 B 36 36 PHE CB C 331 39.210 39.399 -0.189 1
1 1519 . 8 2 2 B 36 36 PHE N N 331 116.513 118.873 -2.360 1
1 1520 . 8 2 2 B 37 37 SER H H 332 7.221 8.108 -0.887 1
1 1521 . 8 2 2 B 37 37 SER HA H 332 4.273 4.047 0.226 1
1 1524 . 8 2 2 B 37 37 SER CA C 332 61.794 61.743 0.051 1
1 1525 . 8 2 2 B 37 37 SER CB C 332 62.810 63.001 -0.191 1
1 1526 . 8 2 2 B 37 37 SER N N 332 115.256 117.288 -2.032 1
1 1527 . 8 2 2 B 38 38 ALA H H 333 8.551 7.851 0.700 1
1 1528 . 8 2 2 B 38 38 ALA HA H 333 4.308 4.174 0.134 1
1 1532 . 8 2 2 B 38 38 ALA CA C 333 54.464 54.287 0.177 1
1 1533 . 8 2 2 B 38 38 ALA CB C 333 18.148 18.176 -0.028 1
1 1534 . 8 2 2 B 38 38 ALA N N 333 123.216 123.693 -0.477 1
1 1535 . 8 2 2 B 39 39 PHE H H 334 7.842 7.757 0.085 1
1 1536 . 8 2 2 B 39 39 PHE HA H 334 4.165 4.270 -0.105 1
1 1542 . 8 2 2 B 39 39 PHE CA C 334 60.541 61.293 -0.752 1
1 1543 . 8 2 2 B 39 39 PHE CB C 334 38.703 38.855 -0.152 1
1 1547 . 8 2 2 B 39 39 PHE N N 334 117.602 116.225 1.377 1
1 1548 . 8 2 2 B 40 40 PHE H H 335 7.668 8.317 -0.649 1
1 1549 . 8 2 2 B 40 40 PHE HA H 335 4.626 4.503 0.123 1
1 1555 . 8 2 2 B 40 40 PHE CA C 335 58.997 61.886 -2.889 1
1 1556 . 8 2 2 B 40 40 PHE CB C 335 39.427 37.800 1.627 1
1 1560 . 8 2 2 B 40 40 PHE N N 335 117.267 118.448 -1.181 1
1 1561 . 8 2 2 B 41 41 GLU H H 336 8.105 8.469 -0.364 1
1 1562 . 8 2 2 B 41 41 GLU HA H 336 4.263 4.249 0.014 1
1 1567 . 8 2 2 B 41 41 GLU CA C 336 57.653 58.932 -1.279 1
1 1568 . 8 2 2 B 41 41 GLU CB C 336 30.320 29.966 0.354 1
1 1570 . 8 2 2 B 41 41 GLU N N 336 120.426 119.917 0.509 1
1 1571 . 8 2 2 B 42 42 GLU H H 337 8.140 7.928 0.212 1
1 1572 . 8 2 2 B 42 42 GLU HA H 337 4.259 4.536 -0.277 1
1 1577 . 8 2 2 B 42 42 GLU CA C 337 56.969 55.900 1.069 1
1 1578 . 8 2 2 B 42 42 GLU CB C 337 30.018 29.779 0.239 1
1 1580 . 8 2 2 B 42 42 GLU N N 337 120.291 117.466 2.825 1
1 1581 . 8 2 2 B 43 43 GLN H H 338 8.058 8.499 -0.441 1
1 1582 . 8 2 2 B 43 43 GLN HA H 338 4.282 4.374 -0.092 1
1 1587 . 8 2 2 B 43 43 GLN CA C 338 56.127 57.330 -1.203 1
1 1588 . 8 2 2 B 43 43 GLN CB C 338 29.560 30.280 -0.720 1
1 1590 . 8 2 2 B 43 43 GLN N N 338 119.529 124.781 -5.252 1
1 1591 . 8 2 2 B 44 44 GLU H H 339 8.254 7.744 0.510 1
1 1592 . 8 2 2 B 44 44 GLU HA H 339 4.275 4.681 -0.406 1
1 1597 . 8 2 2 B 44 44 GLU CA C 339 56.683 56.018 0.665 1
1 1598 . 8 2 2 B 44 44 GLU N N 339 121.540 118.090 3.450 1
1 51 . 9 1 1 A 7 7 TRP H H 122 8.903 8.516 0.387 1
1 52 . 9 1 1 A 7 7 TRP HA H 122 5.048 5.314 -0.266 1
1 61 . 9 1 1 A 7 7 TRP CA C 122 54.452 57.600 -3.148 1
1 62 . 9 1 1 A 7 7 TRP CB C 122 29.834 30.282 -0.448 1
1 68 . 9 1 1 A 7 7 TRP N N 122 123.342 124.176 -0.834 1
1 70 . 9 1 1 A 8 8 ALA H H 123 8.015 8.107 -0.092 1
1 71 . 9 1 1 A 8 8 ALA HA H 123 3.864 3.594 0.270 1
1 75 . 9 1 1 A 8 8 ALA CA C 123 53.436 55.009 -1.573 1
1 76 . 9 1 1 A 8 8 ALA CB C 123 19.174 17.712 1.462 1
1 77 . 9 1 1 A 8 8 ALA N N 123 128.053 130.046 -1.993 1
1 78 . 9 1 1 A 9 9 VAL H H 124 5.029 6.578 -1.549 1
1 79 . 9 1 1 A 9 9 VAL HA H 124 3.497 3.777 -0.280 1
1 87 . 9 1 1 A 9 9 VAL CA C 124 61.304 61.885 -0.581 1
1 88 . 9 1 1 A 9 9 VAL CB C 124 29.834 29.842 -0.008 1
1 91 . 9 1 1 A 9 9 VAL N N 124 113.760 116.960 -3.200 1
1 92 . 9 1 1 A 10 10 LYS H H 125 8.812 8.146 0.666 1
1 93 . 9 1 1 A 10 10 LYS HA H 125 4.383 4.265 0.118 1
1 102 . 9 1 1 A 10 10 LYS CA C 125 54.959 55.281 -0.322 1
1 103 . 9 1 1 A 10 10 LYS CB C 125 30.849 32.054 -1.205 1
1 107 . 9 1 1 A 10 10 LYS N N 125 129.016 127.197 1.819 1
1 108 . 9 1 1 A 11 11 PRO HA H 126 4.229 4.318 -0.089 1
1 115 . 9 1 1 A 11 11 PRO CA C 126 65.872 65.737 0.135 1
1 116 . 9 1 1 A 11 11 PRO CB C 126 32.118 31.915 0.203 1
1 119 . 9 1 1 A 12 12 GLU H H 127 9.749 8.316 1.433 1
1 120 . 9 1 1 A 12 12 GLU HA H 127 4.075 4.057 0.018 1
1 125 . 9 1 1 A 12 12 GLU CA C 127 59.464 59.525 -0.061 1
1 126 . 9 1 1 A 12 12 GLU CB C 127 28.565 29.411 -0.846 1
1 128 . 9 1 1 A 12 12 GLU N N 127 117.669 117.815 -0.146 1
1 129 . 9 1 1 A 13 13 ASP H H 128 6.907 8.363 -1.456 1
1 130 . 9 1 1 A 13 13 ASP HA H 128 4.115 4.055 0.060 1
1 133 . 9 1 1 A 13 13 ASP CA C 128 56.482 56.484 -0.002 1
1 134 . 9 1 1 A 13 13 ASP CB C 128 40.239 40.506 -0.267 1
1 135 . 9 1 1 A 13 13 ASP N N 128 120.880 119.312 1.568 1
1 136 . 9 1 1 A 14 14 LYS H H 129 8.162 8.611 -0.449 1
1 137 . 9 1 1 A 14 14 LYS HA H 129 3.645 3.941 -0.296 1
1 146 . 9 1 1 A 14 14 LYS CA C 129 58.512 59.503 -0.991 1
1 147 . 9 1 1 A 14 14 LYS CB C 129 32.118 32.447 -0.329 1
1 151 . 9 1 1 A 14 14 LYS N N 129 120.161 121.371 -1.210 1
1 152 . 9 1 1 A 15 15 ALA H H 130 7.836 8.167 -0.331 1
1 153 . 9 1 1 A 15 15 ALA HA H 130 4.254 4.061 0.193 1
1 157 . 9 1 1 A 15 15 ALA CA C 130 55.213 54.928 0.285 1
1 158 . 9 1 1 A 15 15 ALA CB C 130 17.906 18.325 -0.419 1
1 159 . 9 1 1 A 15 15 ALA N N 130 118.204 119.883 -1.679 1
1 160 . 9 1 1 A 16 16 LYS H H 131 7.055 7.565 -0.510 1
1 161 . 9 1 1 A 16 16 LYS HA H 131 4.128 4.104 0.024 1
1 170 . 9 1 1 A 16 16 LYS CA C 131 59.274 59.105 0.169 1
1 171 . 9 1 1 A 16 16 LYS CB C 131 31.864 31.903 -0.039 1
1 175 . 9 1 1 A 16 16 LYS N N 131 119.703 119.037 0.666 1
1 176 . 9 1 1 A 17 17 TYR H H 132 8.606 8.228 0.378 1
1 177 . 9 1 1 A 17 17 TYR HA H 132 4.812 4.436 0.376 1
1 182 . 9 1 1 A 17 17 TYR CA C 132 58.005 61.539 -3.534 1
1 183 . 9 1 1 A 17 17 TYR CB C 132 35.417 37.830 -2.413 1
1 186 . 9 1 1 A 17 17 TYR N N 132 122.165 118.754 3.411 1
1 187 . 9 1 1 A 18 18 ASP H H 133 9.404 9.111 0.293 1
1 188 . 9 1 1 A 18 18 ASP HA H 133 4.456 4.609 -0.153 1
1 191 . 9 1 1 A 18 18 ASP CA C 133 57.497 57.406 0.091 1
1 192 . 9 1 1 A 18 18 ASP CB C 133 40.493 41.399 -0.906 1
1 193 . 9 1 1 A 18 18 ASP N N 133 121.201 121.320 -0.119 1
1 194 . 9 1 1 A 19 19 ALA H H 134 7.360 7.933 -0.573 1
1 195 . 9 1 1 A 19 19 ALA HA H 134 4.383 4.415 -0.032 1
1 199 . 9 1 1 A 19 19 ALA CA C 134 54.959 55.038 -0.079 1
1 200 . 9 1 1 A 19 19 ALA CB C 134 17.906 18.317 -0.411 1
1 201 . 9 1 1 A 19 19 ALA N N 134 120.666 121.611 -0.945 1
1 202 . 9 1 1 A 20 20 ILE H H 135 7.778 7.898 -0.120 1
1 203 . 9 1 1 A 20 20 ILE HA H 135 3.795 3.905 -0.110 1
1 213 . 9 1 1 A 20 20 ILE CA C 135 64.857 64.540 0.317 1
1 214 . 9 1 1 A 20 20 ILE CB C 135 38.463 37.673 0.790 1
1 218 . 9 1 1 A 20 20 ILE N N 135 120.238 117.068 3.170 1
1 219 . 9 1 1 A 21 21 PHE H H 136 9.262 8.780 0.482 1
1 220 . 9 1 1 A 21 21 PHE HA H 136 3.195 4.065 -0.870 1
1 226 . 9 1 1 A 21 21 PHE CA C 136 62.065 62.368 -0.303 1
1 227 . 9 1 1 A 21 21 PHE CB C 136 38.970 39.452 -0.482 1
1 231 . 9 1 1 A 21 21 PHE N N 136 123.878 123.687 0.191 1
1 232 . 9 1 1 A 22 22 ASP H H 137 8.410 9.239 -0.829 1
1 233 . 9 1 1 A 22 22 ASP HA H 137 4.287 4.426 -0.139 1
1 236 . 9 1 1 A 22 22 ASP CA C 137 57.497 56.739 0.758 1
1 237 . 9 1 1 A 22 22 ASP CB C 137 40.493 39.751 0.742 1
1 238 . 9 1 1 A 22 22 ASP N N 137 115.420 119.166 -3.746 1
1 239 . 9 1 1 A 23 23 SER H H 138 7.946 7.767 0.179 1
1 240 . 9 1 1 A 23 23 SER HA H 138 4.475 4.242 0.233 1
1 243 . 9 1 1 A 23 23 SER CA C 138 60.543 60.967 -0.424 1
1 244 . 9 1 1 A 23 23 SER CB C 138 63.334 63.122 0.212 1
1 245 . 9 1 1 A 23 23 SER N N 138 117.133 115.098 2.035 1
1 246 . 9 1 1 A 24 24 LEU H H 139 7.338 7.548 -0.210 1
1 247 . 9 1 1 A 24 24 LEU HA H 139 4.333 4.317 0.016 1
1 257 . 9 1 1 A 24 24 LEU CA C 139 54.452 54.422 0.030 1
1 258 . 9 1 1 A 24 24 LEU CB C 139 42.016 41.908 0.108 1
1 262 . 9 1 1 A 24 24 LEU N N 139 123.003 119.034 3.969 1
1 263 . 9 1 1 A 25 25 SER H H 140 7.698 7.767 -0.069 1
1 264 . 9 1 1 A 25 25 SER HA H 140 4.036 4.210 -0.174 1
1 268 . 9 1 1 A 25 25 SER CA C 140 58.005 58.718 -0.713 1
1 269 . 9 1 1 A 25 25 SER CB C 140 60.796 61.653 -0.857 1
1 270 . 9 1 1 A 25 25 SER N N 140 109.104 113.322 -4.218 1
1 271 . 9 1 1 A 26 26 PRO HA H 141 4.114 4.462 -0.348 1
1 278 . 9 1 1 A 26 26 PRO CA C 141 62.827 62.412 0.415 1
1 279 . 9 1 1 A 26 26 PRO CB C 141 32.650 33.106 -0.456 1
1 282 . 9 1 1 A 27 27 VAL H H 142 8.410 9.232 -0.822 1
1 283 . 9 1 1 A 27 27 VAL HA H 142 4.297 4.504 -0.207 1
1 291 . 9 1 1 A 27 27 VAL CA C 142 61.812 61.340 0.472 1
1 292 . 9 1 1 A 27 27 VAL CB C 142 33.641 32.361 1.280 1
1 295 . 9 1 1 A 27 27 VAL N N 142 120.987 120.249 0.738 1
1 296 . 9 1 1 A 28 28 ASN H H 143 9.694 9.640 0.054 1
1 297 . 9 1 1 A 28 28 ASN HA H 143 4.425 4.579 -0.154 1
1 302 . 9 1 1 A 28 28 ASN CA C 143 54.198 54.682 -0.484 1
1 303 . 9 1 1 A 28 28 ASN CB C 143 37.701 37.077 0.624 1
1 304 . 9 1 1 A 28 28 ASN N N 143 127.946 127.584 0.362 1
1 306 . 9 1 1 A 29 29 GLY H H 144 8.410 8.806 -0.396 1
1 307 . 9 1 1 A 29 29 GLY HA2 H 144 3.582 3.871 -0.289 1
1 308 . 9 1 1 A 29 29 GLY HA3 H 144 3.976 4.050 -0.074 1
1 309 . 9 1 1 A 29 29 GLY CA C 144 44.808 45.860 -1.052 1
1 310 . 9 1 1 A 29 29 GLY N N 144 99.790 105.196 -5.406 1
1 311 . 9 1 1 A 30 30 PHE H H 145 7.749 8.297 -0.548 1
1 312 . 9 1 1 A 30 30 PHE HA H 145 5.476 5.259 0.217 1
1 318 . 9 1 1 A 30 30 PHE CA C 145 56.736 56.746 -0.010 1
1 319 . 9 1 1 A 30 30 PHE CB C 145 44.554 42.503 2.051 1
1 323 . 9 1 1 A 30 30 PHE N N 145 115.206 118.215 -3.009 1
1 324 . 9 1 1 A 31 31 LEU H H 146 9.492 9.667 -0.175 1
1 325 . 9 1 1 A 31 31 LEU HA H 146 4.765 5.068 -0.303 1
1 335 . 9 1 1 A 31 31 LEU CA C 146 52.929 53.188 -0.259 1
1 336 . 9 1 1 A 31 31 LEU CB C 146 45.569 44.722 0.847 1
1 340 . 9 1 1 A 31 31 LEU N N 146 121.522 123.917 -2.395 1
1 341 . 9 1 1 A 32 32 SER H H 147 7.822 8.438 -0.616 1
1 342 . 9 1 1 A 32 32 SER HA H 147 4.951 5.130 -0.179 1
1 345 . 9 1 1 A 32 32 SER CA C 147 57.243 55.708 1.535 1
1 346 . 9 1 1 A 32 32 SER CB C 147 64.603 66.113 -1.510 1
1 347 . 9 1 1 A 32 32 SER N N 147 116.938 115.787 1.151 1
1 348 . 9 1 1 A 33 33 GLY H H 148 9.072 9.014 0.058 1
1 349 . 9 1 1 A 33 33 GLY HA2 H 148 3.689 3.467 0.222 1
1 350 . 9 1 1 A 33 33 GLY HA3 H 148 3.690 3.468 0.222 1
1 351 . 9 1 1 A 33 33 GLY CA C 148 48.614 47.456 1.158 1
1 352 . 9 1 1 A 33 33 GLY N N 148 109.104 112.045 -2.941 1
1 353 . 9 1 1 A 34 34 ASP H H 149 8.600 8.274 0.326 1
1 354 . 9 1 1 A 34 34 ASP HA H 149 4.222 4.319 -0.097 1
1 357 . 9 1 1 A 34 34 ASP CA C 149 56.228 56.139 0.089 1
1 358 . 9 1 1 A 34 34 ASP CB C 149 39.985 38.945 1.040 1
1 359 . 9 1 1 A 34 34 ASP N N 149 117.454 121.171 -3.717 1
1 360 . 9 1 1 A 35 35 LYS H H 150 7.453 7.674 -0.221 1
1 361 . 9 1 1 A 35 35 LYS HA H 150 4.352 4.270 0.082 1
1 370 . 9 1 1 A 35 35 LYS CA C 150 57.497 57.885 -0.388 1
1 371 . 9 1 1 A 35 35 LYS CB C 150 34.402 33.447 0.955 1
1 375 . 9 1 1 A 35 35 LYS N N 150 117.347 118.664 -1.317 1
1 376 . 9 1 1 A 36 36 VAL H H 151 7.691 8.466 -0.775 1
1 377 . 9 1 1 A 36 36 VAL HA H 151 3.979 3.445 0.534 1
1 385 . 9 1 1 A 36 36 VAL CA C 151 65.365 66.803 -1.438 1
1 386 . 9 1 1 A 36 36 VAL CB C 151 33.894 31.486 2.408 1
1 389 . 9 1 1 A 36 36 VAL N N 151 116.919 120.348 -3.429 1
1 390 . 9 1 1 A 37 37 LYS H H 152 8.610 8.688 -0.078 1
1 391 . 9 1 1 A 37 37 LYS HA H 152 4.100 4.194 -0.094 1
1 399 . 9 1 1 A 37 37 LYS CA C 152 58.005 61.555 -3.550 1
1 400 . 9 1 1 A 37 37 LYS CB C 152 29.834 30.126 -0.292 1
1 404 . 9 1 1 A 37 37 LYS N N 152 120.916 120.544 0.372 1
1 405 . 9 1 1 A 38 38 PRO HA H 153 4.248 4.403 -0.155 1
1 412 . 9 1 1 A 38 38 PRO CA C 153 66.380 65.168 1.212 1
1 413 . 9 1 1 A 38 38 PRO CB C 153 31.610 31.267 0.343 1
1 416 . 9 1 1 A 39 39 VAL H H 154 7.059 7.726 -0.667 1
1 417 . 9 1 1 A 39 39 VAL HA H 154 4.100 4.346 -0.246 1
1 425 . 9 1 1 A 39 39 VAL CA C 154 65.872 62.192 3.680 1
1 426 . 9 1 1 A 39 39 VAL CB C 154 32.118 31.705 0.413 1
1 429 . 9 1 1 A 39 39 VAL N N 154 116.812 116.340 0.472 1
1 430 . 9 1 1 A 40 40 LEU H H 155 8.203 8.050 0.153 1
1 431 . 9 1 1 A 40 40 LEU HA H 155 4.206 4.407 -0.201 1
1 441 . 9 1 1 A 40 40 LEU CA C 155 62.070 55.932 6.138 1
1 442 . 9 1 1 A 40 40 LEU CB C 155 42.121 43.862 -1.741 1
1 445 . 9 1 1 A 40 40 LEU N N 155 117.561 121.245 -3.684 1
1 446 . 9 1 1 A 41 41 LEU H H 156 8.629 8.723 -0.094 1
1 447 . 9 1 1 A 41 41 LEU HA H 156 4.141 4.257 -0.116 1
1 457 . 9 1 1 A 41 41 LEU CA C 156 58.000 55.031 2.969 1
1 458 . 9 1 1 A 41 41 LEU CB C 156 41.762 40.938 0.824 1
1 462 . 9 1 1 A 42 42 ASN HA H 157 4.785 4.549 0.236 1
1 465 . 9 1 1 A 42 42 ASN CA C 157 54.959 55.002 -0.043 1
1 466 . 9 1 1 A 42 42 ASN CB C 157 37.701 37.009 0.692 1
1 467 . 9 1 1 A 43 43 SER H H 158 7.849 7.536 0.313 1
1 468 . 9 1 1 A 43 43 SER HA H 158 3.480 4.661 -1.181 1
1 471 . 9 1 1 A 43 43 SER CA C 158 60.796 56.266 4.530 1
1 472 . 9 1 1 A 43 43 SER CB C 158 64.096 66.147 -2.051 1
1 473 . 9 1 1 A 43 43 SER N N 158 114.778 112.146 2.632 1
1 474 . 9 1 1 A 44 44 LYS H H 159 7.633 8.575 -0.942 1
1 475 . 9 1 1 A 44 44 LYS HA H 159 3.868 4.345 -0.477 1
1 484 . 9 1 1 A 44 44 LYS CA C 159 58.005 56.613 1.392 1
1 485 . 9 1 1 A 44 44 LYS CB C 159 29.341 32.660 -3.319 1
1 489 . 9 1 1 A 44 44 LYS N N 159 111.031 122.136 -11.105 1
1 490 . 9 1 1 A 45 45 LEU H H 160 7.287 7.023 0.264 1
1 491 . 9 1 1 A 45 45 LEU HA H 160 4.421 4.348 0.073 1
1 501 . 9 1 1 A 45 45 LEU CA C 160 53.183 53.145 0.038 1
1 502 . 9 1 1 A 45 45 LEU CB C 160 41.508 42.084 -0.576 1
1 506 . 9 1 1 A 45 45 LEU N N 160 121.094 122.484 -1.390 1
1 507 . 9 1 1 A 46 46 PRO HA H 161 4.493 4.579 -0.086 1
1 514 . 9 1 1 A 46 46 PRO CA C 161 62.065 62.876 -0.811 1
1 515 . 9 1 1 A 46 46 PRO CB C 161 32.879 32.654 0.225 1
1 518 . 9 1 1 A 47 47 VAL H H 162 8.112 8.631 -0.519 1
1 519 . 9 1 1 A 47 47 VAL HA H 162 3.437 3.743 -0.306 1
1 527 . 9 1 1 A 47 47 VAL CA C 162 66.634 64.970 1.664 1
1 528 . 9 1 1 A 47 47 VAL CB C 162 28.508 31.545 -3.037 1
1 531 . 9 1 1 A 47 47 VAL N N 162 121.522 123.169 -1.647 1
1 532 . 9 1 1 A 48 48 ASP H H 163 8.753 8.156 0.597 1
1 533 . 9 1 1 A 48 48 ASP HA H 163 4.582 4.408 0.174 1
1 536 . 9 1 1 A 48 48 ASP CA C 163 56.990 57.037 -0.047 1
1 537 . 9 1 1 A 48 48 ASP CB C 163 40.239 40.749 -0.510 1
1 538 . 9 1 1 A 48 48 ASP N N 163 117.454 121.849 -4.395 1
1 539 . 9 1 1 A 49 49 ILE H H 164 7.051 7.772 -0.721 1
1 540 . 9 1 1 A 49 49 ILE HA H 164 3.802 3.858 -0.056 1
1 550 . 9 1 1 A 49 49 ILE CA C 164 63.081 64.315 -1.234 1
1 551 . 9 1 1 A 49 49 ILE CB C 164 36.940 37.474 -0.534 1
1 555 . 9 1 1 A 49 49 ILE N N 164 119.167 116.440 2.727 1
1 556 . 9 1 1 A 50 50 LEU H H 165 7.626 8.317 -0.691 1
1 557 . 9 1 1 A 50 50 LEU HA H 165 3.447 4.047 -0.600 1
1 567 . 9 1 1 A 50 50 LEU CA C 165 57.751 58.415 -0.664 1
1 568 . 9 1 1 A 50 50 LEU CB C 165 40.239 41.432 -1.193 1
1 572 . 9 1 1 A 50 50 LEU N N 165 119.274 122.375 -3.101 1
1 573 . 9 1 1 A 51 51 GLY H H 166 8.744 8.541 0.203 1
1 574 . 9 1 1 A 51 51 GLY HA2 H 166 3.480 3.778 -0.298 1
1 575 . 9 1 1 A 51 51 GLY HA3 H 166 2.888 3.814 -0.926 1
1 576 . 9 1 1 A 51 51 GLY CA C 166 46.584 47.190 -0.606 1
1 577 . 9 1 1 A 51 51 GLY N N 166 104.501 106.171 -1.670 1
1 578 . 9 1 1 A 52 52 ARG H H 167 7.189 7.755 -0.566 1
1 579 . 9 1 1 A 52 52 ARG HA H 167 3.977 4.099 -0.122 1
1 586 . 9 1 1 A 52 52 ARG CA C 167 59.527 59.255 0.272 1
1 587 . 9 1 1 A 52 52 ARG CB C 167 29.834 29.883 -0.049 1
1 590 . 9 1 1 A 52 52 ARG N N 167 122.700 122.226 0.474 1
1 591 . 9 1 1 A 53 53 VAL H H 168 8.411 8.359 0.052 1
1 592 . 9 1 1 A 53 53 VAL HA H 168 3.390 3.692 -0.302 1
1 600 . 9 1 1 A 53 53 VAL CA C 168 67.395 66.598 0.797 1
1 601 . 9 1 1 A 53 53 VAL CB C 168 31.103 31.672 -0.569 1
1 604 . 9 1 1 A 53 53 VAL N N 168 119.596 119.361 0.235 1
1 605 . 9 1 1 A 54 54 TRP H H 169 8.573 8.530 0.043 1
1 606 . 9 1 1 A 54 54 TRP HA H 169 3.738 4.211 -0.473 1
1 615 . 9 1 1 A 54 54 TRP CA C 169 61.812 60.920 0.892 1
1 616 . 9 1 1 A 54 54 TRP CB C 169 27.550 29.834 -2.284 1
1 622 . 9 1 1 A 54 54 TRP N N 169 121.308 121.126 0.182 1
1 624 . 9 1 1 A 55 55 GLU H H 170 7.783 8.471 -0.688 1
1 625 . 9 1 1 A 55 55 GLU HA H 170 4.030 4.025 0.005 1
1 630 . 9 1 1 A 55 55 GLU CA C 170 59.020 59.225 -0.205 1
1 631 . 9 1 1 A 55 55 GLU CB C 170 30.088 29.572 0.516 1
1 633 . 9 1 1 A 55 55 GLU N N 170 116.384 119.512 -3.128 1
1 634 . 9 1 1 A 56 56 LEU H H 171 8.005 7.815 0.190 1
1 635 . 9 1 1 A 56 56 LEU HA H 171 4.003 4.156 -0.153 1
1 645 . 9 1 1 A 56 56 LEU CA C 171 56.736 57.456 -0.720 1
1 646 . 9 1 1 A 56 56 LEU CB C 171 43.539 42.197 1.342 1
1 650 . 9 1 1 A 56 56 LEU N N 171 115.771 120.977 -5.206 1
1 651 . 9 1 1 A 57 57 SER H H 172 7.501 8.710 -1.209 1
1 652 . 9 1 1 A 57 57 SER HA H 172 4.154 4.254 -0.100 1
1 655 . 9 1 1 A 57 57 SER CA C 172 61.812 61.552 0.260 1
1 656 . 9 1 1 A 57 57 SER CB C 172 63.588 62.631 0.957 1
1 657 . 9 1 1 A 57 57 SER N N 172 112.209 113.526 -1.317 1
1 658 . 9 1 1 A 58 58 ASP H H 173 7.592 7.375 0.217 1
1 659 . 9 1 1 A 58 58 ASP HA H 173 4.550 4.446 0.104 1
1 662 . 9 1 1 A 58 58 ASP CA C 173 51.914 53.175 -1.261 1
1 663 . 9 1 1 A 58 58 ASP CB C 173 36.940 39.587 -2.647 1
1 664 . 9 1 1 A 58 58 ASP N N 173 117.133 120.648 -3.515 1
1 665 . 9 1 1 A 59 59 ILE H H 174 8.078 7.838 0.240 1
1 666 . 9 1 1 A 59 59 ILE HA H 174 3.354 3.801 -0.447 1
1 676 . 9 1 1 A 59 59 ILE CA C 174 64.857 65.030 -0.173 1
1 677 . 9 1 1 A 59 59 ILE CB C 174 39.985 37.622 2.363 1
1 681 . 9 1 1 A 59 59 ILE N N 174 128.160 125.359 2.801 1
1 682 . 9 1 1 A 60 60 ASP H H 175 7.795 7.929 -0.134 1
1 683 . 9 1 1 A 60 60 ASP HA H 175 4.361 4.678 -0.317 1
1 686 . 9 1 1 A 60 60 ASP CA C 175 52.167 55.405 -3.238 1
1 687 . 9 1 1 A 60 60 ASP CB C 175 39.732 41.075 -1.343 1
1 688 . 9 1 1 A 60 60 ASP N N 175 113.493 119.000 -5.507 1
1 689 . 9 1 1 A 61 61 HIS H H 176 7.521 8.128 -0.607 1
1 690 . 9 1 1 A 61 61 HIS HA H 176 4.236 4.627 -0.391 1
1 694 . 9 1 1 A 61 61 HIS CA C 176 56.228 56.909 -0.681 1
1 695 . 9 1 1 A 61 61 HIS CB C 176 26.534 26.801 -0.267 1
1 697 . 9 1 1 A 61 61 HIS N N 176 112.637 114.073 -1.436 1
1 698 . 9 1 1 A 62 62 ASP H H 177 8.547 7.965 0.582 1
1 699 . 9 1 1 A 62 62 ASP HA H 177 4.769 4.518 0.251 1
1 702 . 9 1 1 A 62 62 ASP CA C 177 53.436 53.487 -0.051 1
1 703 . 9 1 1 A 62 62 ASP CB C 177 40.747 40.472 0.275 1
1 704 . 9 1 1 A 62 62 ASP N N 177 118.739 119.270 -0.531 1
1 705 . 9 1 1 A 63 63 GLY H H 178 10.793 9.042 1.751 1
1 706 . 9 1 1 A 63 63 GLY HA2 H 178 4.398 4.084 0.314 1
1 707 . 9 1 1 A 63 63 GLY HA3 H 178 3.946 4.212 -0.266 1
1 708 . 9 1 1 A 63 63 GLY CA C 178 46.330 45.597 0.733 1
1 709 . 9 1 1 A 63 63 GLY N N 178 112.958 111.228 1.730 1
1 710 . 9 1 1 A 64 64 MET H H 179 8.337 7.946 0.391 1
1 711 . 9 1 1 A 64 64 MET HA H 179 5.360 5.145 0.215 1
1 719 . 9 1 1 A 64 64 MET CA C 179 52.929 54.274 -1.345 1
1 720 . 9 1 1 A 64 64 MET CB C 179 36.432 37.510 -1.078 1
1 722 . 9 1 1 A 64 64 MET N N 179 118.525 119.340 -0.815 1
1 723 . 9 1 1 A 65 65 LEU H H 180 9.471 9.596 -0.125 1
1 724 . 9 1 1 A 65 65 LEU HA H 180 5.838 5.143 0.695 1
1 734 . 9 1 1 A 65 65 LEU CA C 180 53.436 53.473 -0.037 1
1 735 . 9 1 1 A 65 65 LEU CB C 180 43.285 43.207 0.078 1
1 739 . 9 1 1 A 65 65 LEU N N 180 120.987 122.534 -1.547 1
1 740 . 9 1 1 A 66 66 ASP H H 181 9.203 9.088 0.115 1
1 741 . 9 1 1 A 66 66 ASP HA H 181 5.378 4.924 0.454 1
1 744 . 9 1 1 A 66 66 ASP CA C 181 51.914 52.536 -0.622 1
1 745 . 9 1 1 A 66 66 ASP CB C 181 40.493 40.634 -0.141 1
1 746 . 9 1 1 A 66 66 ASP N N 181 124.306 125.940 -1.634 1
1 747 . 9 1 1 A 67 67 ARG H H 182 8.130 8.461 -0.331 1
1 748 . 9 1 1 A 67 67 ARG HA H 182 2.758 2.997 -0.239 1
1 755 . 9 1 1 A 67 67 ARG CA C 182 60.543 59.452 1.091 1
1 756 . 9 1 1 A 67 67 ARG CB C 182 30.595 29.507 1.088 1
1 759 . 9 1 1 A 67 67 ARG N N 182 117.454 120.406 -2.952 1
1 760 . 9 1 1 A 68 68 ASP H H 183 7.871 8.221 -0.350 1
1 761 . 9 1 1 A 68 68 ASP HA H 183 4.748 4.674 0.074 1
1 764 . 9 1 1 A 68 68 ASP CA C 183 57.497 57.072 0.425 1
1 765 . 9 1 1 A 68 68 ASP CB C 183 40.747 40.478 0.269 1
1 766 . 9 1 1 A 68 68 ASP N N 183 119.703 119.657 0.046 1
1 767 . 9 1 1 A 69 69 GLU H H 184 8.775 8.091 0.684 1
1 768 . 9 1 1 A 69 69 GLU HA H 184 3.975 4.131 -0.156 1
1 773 . 9 1 1 A 69 69 GLU CA C 184 59.781 59.488 0.293 1
1 774 . 9 1 1 A 69 69 GLU CB C 184 31.762 29.477 2.285 1
1 776 . 9 1 1 A 69 69 GLU N N 184 120.987 120.244 0.743 1
1 777 . 9 1 1 A 70 70 PHE H H 185 9.331 8.887 0.444 1
1 778 . 9 1 1 A 70 70 PHE HA H 185 4.198 4.151 0.047 1
1 784 . 9 1 1 A 70 70 PHE CA C 185 61.812 61.696 0.116 1
1 785 . 9 1 1 A 70 70 PHE CB C 185 39.957 38.961 0.996 1
1 788 . 9 1 1 A 70 70 PHE N N 185 118.632 121.882 -3.250 1
1 789 . 9 1 1 A 71 71 ALA H H 186 7.622 8.217 -0.595 1
1 790 . 9 1 1 A 71 71 ALA HA H 186 3.991 4.142 -0.151 1
1 794 . 9 1 1 A 71 71 ALA CA C 186 55.213 55.245 -0.032 1
1 795 . 9 1 1 A 71 71 ALA CB C 186 18.921 18.227 0.694 1
1 796 . 9 1 1 A 71 71 ALA N N 186 120.131 121.314 -1.183 1
1 797 . 9 1 1 A 72 72 VAL H H 187 7.670 8.170 -0.500 1
1 798 . 9 1 1 A 72 72 VAL HA H 187 3.438 3.383 0.055 1
1 806 . 9 1 1 A 72 72 VAL CA C 187 67.617 66.664 0.953 1
1 807 . 9 1 1 A 72 72 VAL CB C 187 31.357 31.614 -0.257 1
1 810 . 9 1 1 A 72 72 VAL N N 187 117.776 118.726 -0.950 1
1 811 . 9 1 1 A 73 73 ALA H H 188 8.040 8.426 -0.386 1
1 812 . 9 1 1 A 73 73 ALA HA H 188 3.892 3.971 -0.079 1
1 816 . 9 1 1 A 73 73 ALA CA C 188 55.974 55.649 0.325 1
1 817 . 9 1 1 A 73 73 ALA CB C 188 16.637 18.409 -1.772 1
1 818 . 9 1 1 A 73 73 ALA N N 188 122.058 121.680 0.378 1
1 819 . 9 1 1 A 74 74 MET H H 189 7.908 8.116 -0.208 1
1 820 . 9 1 1 A 74 74 MET HA H 189 3.900 4.046 -0.146 1
1 828 . 9 1 1 A 74 74 MET CA C 189 55.974 57.585 -1.611 1
1 829 . 9 1 1 A 74 74 MET CB C 189 29.072 31.827 -2.755 1
1 832 . 9 1 1 A 74 74 MET N N 189 114.029 116.801 -2.772 1
1 833 . 9 1 1 A 75 75 PHE H H 190 8.298 7.789 0.509 1
1 834 . 9 1 1 A 75 75 PHE HA H 190 4.245 4.288 -0.043 1
1 840 . 9 1 1 A 75 75 PHE CA C 190 61.812 61.308 0.504 1
1 841 . 9 1 1 A 75 75 PHE CB C 190 39.732 39.297 0.435 1
1 844 . 9 1 1 A 75 75 PHE N N 190 121.174 122.065 -0.891 1
1 845 . 9 1 1 A 76 76 LEU H H 191 8.761 8.100 0.661 1
1 846 . 9 1 1 A 76 76 LEU HA H 191 3.987 3.969 0.018 1
1 856 . 9 1 1 A 76 76 LEU CA C 191 58.005 57.558 0.447 1
1 857 . 9 1 1 A 76 76 LEU CB C 191 43.792 41.366 2.426 1
1 859 . 9 1 1 A 76 76 LEU N N 191 119.596 119.518 0.078 1
1 860 . 9 1 1 A 77 77 VAL H H 192 8.392 7.743 0.649 1
1 861 . 9 1 1 A 77 77 VAL HA H 192 3.205 3.499 -0.294 1
1 869 . 9 1 1 A 77 77 VAL CA C 192 67.395 66.354 1.041 1
1 870 . 9 1 1 A 77 77 VAL CB C 192 30.595 31.583 -0.988 1
1 873 . 9 1 1 A 77 77 VAL N N 192 120.773 119.644 1.129 1
1 874 . 9 1 1 A 78 78 TYR H H 193 8.617 8.537 0.080 1
1 875 . 9 1 1 A 78 78 TYR HA H 193 3.916 4.319 -0.403 1
1 880 . 9 1 1 A 78 78 TYR CA C 193 64.350 60.044 4.306 1
1 881 . 9 1 1 A 78 78 TYR CB C 193 36.940 37.580 -0.640 1
1 884 . 9 1 1 A 78 78 TYR N N 193 118.418 118.677 -0.259 1
1 885 . 9 1 1 A 79 79 CYS H H 194 7.979 8.040 -0.061 1
1 886 . 9 1 1 A 79 79 CYS HA H 194 3.980 3.851 0.129 1
1 889 . 9 1 1 A 79 79 CYS CA C 194 63.842 62.165 1.677 1
1 890 . 9 1 1 A 79 79 CYS CB C 194 25.773 26.694 -0.921 1
1 891 . 9 1 1 A 79 79 CYS N N 194 117.133 118.232 -1.099 1
1 892 . 9 1 1 A 80 80 ALA H H 195 7.979 7.482 0.497 1
1 893 . 9 1 1 A 80 80 ALA HA H 195 4.372 4.076 0.296 1
1 897 . 9 1 1 A 80 80 ALA CA C 195 54.959 54.996 -0.037 1
1 898 . 9 1 1 A 80 80 ALA CB C 195 17.906 18.411 -0.505 1
1 899 . 9 1 1 A 80 80 ALA N N 195 123.128 122.937 0.191 1
1 900 . 9 1 1 A 81 81 LEU H H 196 8.620 8.003 0.617 1
1 901 . 9 1 1 A 81 81 LEU HA H 196 3.957 3.989 -0.032 1
1 911 . 9 1 1 A 81 81 LEU CA C 196 57.497 57.637 -0.140 1
1 912 . 9 1 1 A 81 81 LEU CB C 196 40.747 41.577 -0.830 1
1 916 . 9 1 1 A 81 81 LEU N N 196 123.021 119.828 3.193 1
1 917 . 9 1 1 A 82 82 GLU H H 197 7.483 8.189 -0.706 1
1 918 . 9 1 1 A 82 82 GLU HA H 197 4.497 4.226 0.271 1
1 923 . 9 1 1 A 82 82 GLU CA C 197 56.418 55.520 0.898 1
1 924 . 9 1 1 A 82 82 GLU CB C 197 28.819 28.450 0.369 1
1 926 . 9 1 1 A 82 82 GLU N N 197 118.311 115.316 2.995 1
1 927 . 9 1 1 A 83 83 LYS H H 198 7.832 7.522 0.310 1
1 928 . 9 1 1 A 83 83 LYS HA H 198 3.805 3.803 0.002 1
1 937 . 9 1 1 A 83 83 LYS CA C 198 57.497 57.284 0.213 1
1 938 . 9 1 1 A 83 83 LYS CB C 198 28.057 29.109 -1.052 1
1 942 . 9 1 1 A 83 83 LYS N N 198 111.674 114.839 -3.165 1
1 943 . 9 1 1 A 84 84 GLU H H 199 8.098 8.061 0.037 1
1 944 . 9 1 1 A 84 84 GLU HA H 199 4.635 4.823 -0.188 1
1 949 . 9 1 1 A 84 84 GLU CA C 199 53.944 52.881 1.063 1
1 950 . 9 1 1 A 84 84 GLU CB C 199 29.580 31.552 -1.972 1
1 952 . 9 1 1 A 84 84 GLU N N 199 121.737 118.981 2.756 1
1 953 . 9 1 1 A 85 85 PRO HA H 200 4.344 4.429 -0.085 1
1 960 . 9 1 1 A 85 85 PRO CA C 200 62.065 63.027 -0.962 1
1 961 . 9 1 1 A 85 85 PRO CB C 200 32.118 32.175 -0.057 1
1 964 . 9 1 1 A 86 86 VAL H H 201 8.534 8.408 0.126 1
1 965 . 9 1 1 A 86 86 VAL HA H 201 4.275 4.489 -0.214 1
1 973 . 9 1 1 A 86 86 VAL CA C 201 60.035 58.980 1.055 1
1 974 . 9 1 1 A 86 86 VAL CB C 201 32.118 33.343 -1.225 1
1 977 . 9 1 1 A 86 86 VAL N N 201 125.055 122.381 2.674 1
1 978 . 9 1 1 A 87 87 PRO HA H 202 4.571 4.618 -0.047 1
1 985 . 9 1 1 A 87 87 PRO CA C 202 62.827 62.867 -0.040 1
1 986 . 9 1 1 A 87 87 PRO CB C 202 32.879 32.814 0.065 1
1 989 . 9 1 1 A 88 88 MET H H 203 8.536 8.882 -0.346 1
1 990 . 9 1 1 A 88 88 MET HA H 203 4.437 4.529 -0.092 1
1 998 . 9 1 1 A 88 88 MET CA C 203 55.974 56.573 -0.599 1
1 999 . 9 1 1 A 88 88 MET CB C 203 32.372 33.111 -0.739 1
1 1001 . 9 1 1 A 88 88 MET N N 203 114.671 119.258 -4.587 1
1 1002 . 9 1 1 A 89 89 SER H H 204 7.588 7.809 -0.221 1
1 1003 . 9 1 1 A 89 89 SER HA H 204 4.482 4.930 -0.448 1
1 1006 . 9 1 1 A 89 89 SER CA C 204 56.482 57.435 -0.953 1
1 1007 . 9 1 1 A 89 89 SER CB C 204 65.111 65.762 -0.651 1
1 1008 . 9 1 1 A 89 89 SER N N 204 110.603 115.768 -5.165 1
1 1009 . 9 1 1 A 90 90 LEU H H 205 9.188 8.542 0.646 1
1 1010 . 9 1 1 A 90 90 LEU HA H 205 4.314 4.416 -0.102 1
1 1020 . 9 1 1 A 90 90 LEU CA C 205 53.436 53.316 0.120 1
1 1021 . 9 1 1 A 90 90 LEU CB C 205 41.785 42.956 -1.171 1
1 1024 . 9 1 1 A 90 90 LEU N N 205 124.627 127.877 -3.250 1
1 1025 . 9 1 1 A 91 91 PRO HA H 206 4.794 4.553 0.241 1
1 1032 . 9 1 1 A 91 91 PRO CA C 206 61.304 62.569 -1.265 1
1 1033 . 9 1 1 A 91 91 PRO CB C 206 31.116 31.757 -0.641 1
1 1036 . 9 1 1 A 92 92 PRO HA H 207 4.221 4.335 -0.114 1
1 1043 . 9 1 1 A 92 92 PRO CA C 207 66.057 64.915 1.142 1
1 1044 . 9 1 1 A 92 92 PRO CB C 207 31.889 31.759 0.130 1
1 1047 . 9 1 1 A 93 93 ALA H H 208 8.509 8.182 0.327 1
1 1048 . 9 1 1 A 93 93 ALA HA H 208 4.181 4.138 0.043 1
1 1052 . 9 1 1 A 93 93 ALA CA C 208 54.198 54.548 -0.350 1
1 1053 . 9 1 1 A 93 93 ALA CB C 208 18.413 18.484 -0.071 1
1 1054 . 9 1 1 A 93 93 ALA N N 208 115.742 120.196 -4.454 1
1 1055 . 9 1 1 A 94 94 LEU H H 209 8.225 8.089 0.136 1
1 1056 . 9 1 1 A 94 94 LEU HA H 209 4.341 4.351 -0.010 1
1 1066 . 9 1 1 A 94 94 LEU CA C 209 54.452 53.913 0.539 1
1 1067 . 9 1 1 A 94 94 LEU CB C 209 43.285 42.074 1.211 1
1 1071 . 9 1 1 A 94 94 LEU N N 209 118.204 111.552 6.652 1
1 1072 . 9 1 1 A 95 95 VAL H H 210 7.400 7.587 -0.187 1
1 1073 . 9 1 1 A 95 95 VAL HA H 210 3.762 4.570 -0.808 1
1 1081 . 9 1 1 A 95 95 VAL CA C 210 61.812 60.196 1.616 1
1 1082 . 9 1 1 A 95 95 VAL CB C 210 32.118 32.624 -0.506 1
1 1085 . 9 1 1 A 95 95 VAL N N 210 123.021 121.310 1.711 1
1 1089 . 9 1 1 A 97 97 PRO HA H 212 3.641 4.191 -0.550 1
1 1096 . 9 1 1 A 97 97 PRO CA C 212 66.126 65.343 0.783 1
1 1097 . 9 1 1 A 97 97 PRO CB C 212 31.864 31.850 0.014 1
1 1100 . 9 1 1 A 98 98 SER H H 213 8.243 8.125 0.118 1
1 1101 . 9 1 1 A 98 98 SER HA H 213 4.124 4.090 0.034 1
1 1104 . 9 1 1 A 98 98 SER CA C 213 59.781 61.249 -1.468 1
1 1105 . 9 1 1 A 98 98 SER CB C 213 62.573 62.846 -0.273 1
1 1106 . 9 1 1 A 98 98 SER N N 213 110.924 112.984 -2.060 1
1 1107 . 9 1 1 A 99 99 LYS H H 214 8.125 8.214 -0.089 1
1 1108 . 9 1 1 A 99 99 LYS HA H 214 4.563 4.310 0.253 1
1 1117 . 9 1 1 A 99 99 LYS CA C 214 54.198 56.303 -2.105 1
1 1118 . 9 1 1 A 99 99 LYS CB C 214 32.879 32.713 0.166 1
1 1122 . 9 1 1 A 99 99 LYS N N 214 120.024 118.284 1.740 1
1 1180 . 9 2 2 B 7 7 SER HA H 302 4.483 4.440 0.043 1
1 1183 . 9 2 2 B 7 7 SER CA C 302 58.429 58.979 -0.550 1
1 1184 . 9 2 2 B 7 7 SER CB C 302 63.758 63.154 0.604 1
1 1185 . 9 2 2 B 8 8 VAL H H 303 8.238 7.867 0.371 1
1 1186 . 9 2 2 B 8 8 VAL HA H 303 4.252 4.377 -0.125 1
1 1194 . 9 2 2 B 8 8 VAL CA C 303 62.311 62.863 -0.552 1
1 1195 . 9 2 2 B 8 8 VAL CB C 303 32.824 34.634 -1.810 1
1 1198 . 9 2 2 B 8 8 VAL N N 303 121.875 120.471 1.404 1
1 1199 . 9 2 2 B 9 9 THR H H 304 8.221 8.239 -0.018 1
1 1200 . 9 2 2 B 9 9 THR HA H 304 4.369 3.874 0.495 1
1 1205 . 9 2 2 B 9 9 THR CA C 304 61.795 66.059 -4.264 1
1 1206 . 9 2 2 B 9 9 THR CB C 304 69.666 66.890 2.776 1
1 1208 . 9 2 2 B 9 9 THR N N 304 117.435 115.213 2.222 1
1 1209 . 9 2 2 B 10 10 GLU H H 305 8.342 8.525 -0.183 1
1 1210 . 9 2 2 B 10 10 GLU HA H 305 4.292 4.481 -0.189 1
1 1215 . 9 2 2 B 10 10 GLU CA C 305 56.488 56.217 0.271 1
1 1216 . 9 2 2 B 10 10 GLU CB C 305 30.344 31.374 -1.030 1
1 1218 . 9 2 2 B 10 10 GLU N N 305 123.467 118.443 5.024 1
1 1219 . 9 2 2 B 11 11 ALA H H 306 8.299 8.543 -0.244 1
1 1220 . 9 2 2 B 11 11 ALA HA H 306 4.330 4.465 -0.135 1
1 1224 . 9 2 2 B 11 11 ALA CA C 306 52.164 51.135 1.029 1
1 1225 . 9 2 2 B 11 11 ALA CB C 306 19.377 19.279 0.098 1
1 1226 . 9 2 2 B 11 11 ALA N N 306 124.975 129.146 -4.171 1
1 1227 . 9 2 2 B 12 12 SER H H 307 8.304 7.915 0.389 1
1 1228 . 9 2 2 B 12 12 SER HA H 307 4.628 4.406 0.222 1
1 1231 . 9 2 2 B 12 12 SER CA C 307 56.214 63.362 -7.148 1
1 1232 . 9 2 2 B 12 12 SER CB C 307 63.419 61.958 1.461 1
1 1233 . 9 2 2 B 12 12 SER N N 307 116.597 115.285 1.312 1
1 1234 . 9 2 2 B 13 13 PRO HA H 308 4.395 4.537 -0.142 1
1 1241 . 9 2 2 B 13 13 PRO CA C 308 63.060 62.286 0.774 1
1 1242 . 9 2 2 B 13 13 PRO CB C 308 31.844 29.229 2.615 1
1 1245 . 9 2 2 B 14 14 TRP H H 309 8.038 8.739 -0.701 1
1 1246 . 9 2 2 B 14 14 TRP HA H 309 4.930 4.974 -0.044 1
1 1255 . 9 2 2 B 14 14 TRP CA C 309 54.944 56.734 -1.790 1
1 1256 . 9 2 2 B 14 14 TRP CB C 309 30.324 30.776 -0.452 1
1 1262 . 9 2 2 B 14 14 TRP N N 309 121.372 124.363 -2.991 1
1 1264 . 9 2 2 B 15 15 ARG H H 310 8.827 8.534 0.293 1
1 1265 . 9 2 2 B 15 15 ARG HA H 310 4.336 4.513 -0.177 1
1 1272 . 9 2 2 B 15 15 ARG CA C 310 56.617 55.492 1.125 1
1 1273 . 9 2 2 B 15 15 ARG CB C 310 31.336 29.546 1.790 1
1 1276 . 9 2 2 B 15 15 ARG N N 310 122.043 120.500 1.543 1
1 1277 . 9 2 2 B 16 16 ALA H H 311 8.551 8.128 0.423 1
1 1278 . 9 2 2 B 16 16 ALA HA H 311 4.140 3.996 0.144 1
1 1282 . 9 2 2 B 16 16 ALA CA C 311 54.460 55.099 -0.639 1
1 1283 . 9 2 2 B 16 16 ALA CB C 311 18.884 17.015 1.869 1
1 1284 . 9 2 2 B 16 16 ALA N N 311 120.702 118.379 2.323 1
1 1285 . 9 2 2 B 17 17 THR H H 312 7.286 8.794 -1.508 1
1 1286 . 9 2 2 B 17 17 THR HA H 312 4.219 4.340 -0.121 1
1 1291 . 9 2 2 B 17 17 THR CA C 312 60.544 62.077 -1.533 1
1 1292 . 9 2 2 B 17 17 THR CB C 312 68.647 68.555 0.092 1
1 1294 . 9 2 2 B 17 17 THR N N 312 124.807 108.421 16.386 1
1 1295 . 9 2 2 B 18 18 ASN H H 313 7.918 7.912 0.006 1
1 1296 . 9 2 2 B 18 18 ASN HA H 313 4.269 5.158 -0.889 1
1 1301 . 9 2 2 B 18 18 ASN CA C 313 50.640 49.374 1.266 1
1 1302 . 9 2 2 B 18 18 ASN CB C 313 39.462 40.379 -0.917 1
1 1303 . 9 2 2 B 18 18 ASN N N 313 123.467 121.376 2.091 1
1 1305 . 9 2 2 B 19 19 PRO HA H 314 4.135 4.316 -0.181 1
1 1312 . 9 2 2 B 19 19 PRO CA C 314 63.314 63.574 -0.260 1
1 1313 . 9 2 2 B 19 19 PRO CB C 314 31.336 31.695 -0.359 1
1 1316 . 9 2 2 B 20 20 PHE H H 315 8.568 7.759 0.809 1
1 1317 . 9 2 2 B 20 20 PHE HA H 315 4.144 4.604 -0.460 1
1 1323 . 9 2 2 B 20 20 PHE CA C 315 59.513 57.526 1.987 1
1 1324 . 9 2 2 B 20 20 PHE CB C 315 37.658 40.309 -2.651 1
1 1328 . 9 2 2 B 20 20 PHE N N 315 116.848 119.093 -2.245 1
1 1329 . 9 2 2 B 21 21 LEU H H 316 7.332 7.719 -0.387 1
1 1330 . 9 2 2 B 21 21 LEU HA H 316 4.393 4.145 0.248 1
1 1340 . 9 2 2 B 21 21 LEU CA C 316 55.961 57.054 -1.093 1
1 1341 . 9 2 2 B 21 21 LEU CB C 316 43.017 41.727 1.290 1
1 1345 . 9 2 2 B 21 21 LEU N N 316 120.283 116.917 3.366 1
1 1346 . 9 2 2 B 22 22 ASN H H 317 8.010 8.169 -0.159 1
1 1347 . 9 2 2 B 22 22 ASN HA H 317 4.613 4.811 -0.198 1
1 1352 . 9 2 2 B 22 22 ASN CA C 317 53.224 55.629 -2.405 1
1 1353 . 9 2 2 B 22 22 ASN CB C 317 38.714 38.204 0.510 1
1 1354 . 9 2 2 B 22 22 ASN N N 317 117.602 117.946 -0.344 1
1 1356 . 9 2 2 B 23 23 GLU H H 318 8.344 8.050 0.294 1
1 1357 . 9 2 2 B 23 23 GLU HA H 318 4.373 4.086 0.287 1
1 1362 . 9 2 2 B 23 23 GLU CA C 318 56.974 59.462 -2.488 1
1 1363 . 9 2 2 B 23 23 GLU CB C 318 30.323 29.524 0.799 1
1 1365 . 9 2 2 B 23 23 GLU N N 318 121.523 120.154 1.369 1
1 1366 . 9 2 2 B 24 24 THR H H 319 8.295 7.901 0.394 1
1 1367 . 9 2 2 B 24 24 THR HA H 319 4.398 4.164 0.234 1
1 1372 . 9 2 2 B 24 24 THR CA C 319 61.940 66.127 -4.187 1
1 1373 . 9 2 2 B 24 24 THR CB C 319 70.138 68.516 1.622 1
1 1375 . 9 2 2 B 24 24 THR N N 319 115.089 117.348 -2.259 1
1 1376 . 9 2 2 B 25 25 LEU H H 320 8.639 7.508 1.131 1
1 1377 . 9 2 2 B 25 25 LEU HA H 320 4.237 4.255 -0.018 1
1 1387 . 9 2 2 B 25 25 LEU CA C 320 55.196 56.839 -1.643 1
1 1388 . 9 2 2 B 25 25 LEU CB C 320 40.733 42.532 -1.799 1
1 1392 . 9 2 2 B 25 25 LEU N N 320 122.143 118.700 3.443 1
1 1393 . 9 2 2 B 26 26 GLN H H 321 8.121 7.569 0.552 1
1 1394 . 9 2 2 B 26 26 GLN HA H 321 4.217 4.618 -0.401 1
1 1401 . 9 2 2 B 26 26 GLN CA C 321 56.987 55.889 1.098 1
1 1402 . 9 2 2 B 26 26 GLN CB C 321 29.309 31.551 -2.242 1
1 1404 . 9 2 2 B 26 26 GLN N N 321 119.864 113.358 6.506 1
1 1406 . 9 2 2 B 27 27 ASP H H 322 8.489 8.783 -0.294 1
1 1407 . 9 2 2 B 27 27 ASP HA H 322 4.656 5.225 -0.569 1
1 1410 . 9 2 2 B 27 27 ASP CA C 322 54.170 53.943 0.227 1
1 1411 . 9 2 2 B 27 27 ASP CB C 322 40.758 44.746 -3.988 1
1 1412 . 9 2 2 B 27 27 ASP N N 322 119.864 125.573 -5.709 1
1 1413 . 9 2 2 B 28 28 VAL H H 323 7.588 8.524 -0.936 1
1 1414 . 9 2 2 B 28 28 VAL HA H 323 4.094 4.719 -0.625 1
1 1422 . 9 2 2 B 28 28 VAL CA C 323 61.797 60.684 1.113 1
1 1423 . 9 2 2 B 28 28 VAL CB C 323 32.915 34.111 -1.196 1
1 1426 . 9 2 2 B 28 28 VAL N N 323 119.446 122.511 -3.065 1
1 1427 . 9 2 2 B 29 29 GLN H H 324 8.451 8.780 -0.329 1
1 1428 . 9 2 2 B 29 29 GLN HA H 324 4.633 4.928 -0.295 1
1 1435 . 9 2 2 B 29 29 GLN CA C 324 53.138 52.776 0.362 1
1 1436 . 9 2 2 B 29 29 GLN CB C 324 28.795 29.843 -1.048 1
1 1438 . 9 2 2 B 29 29 GLN N N 324 125.897 126.592 -0.695 1
1 1440 . 9 2 2 B 30 30 PRO HA H 325 4.486 4.981 -0.495 1
1 1447 . 9 2 2 B 30 30 PRO CA C 325 62.553 62.192 0.361 1
1 1448 . 9 2 2 B 30 30 PRO CB C 325 32.316 32.541 -0.225 1
1 1451 . 9 2 2 B 31 31 SER H H 326 7.858 8.437 -0.579 1
1 1452 . 9 2 2 B 31 31 SER HA H 326 4.734 5.011 -0.277 1
1 1455 . 9 2 2 B 31 31 SER CA C 326 55.447 56.010 -0.563 1
1 1456 . 9 2 2 B 31 31 SER CB C 326 63.822 65.032 -1.210 1
1 1457 . 9 2 2 B 31 31 SER N N 326 115.759 116.953 -1.194 1
1 1458 . 9 2 2 B 32 32 PRO HA H 327 4.554 4.552 0.002 1
1 1465 . 9 2 2 B 32 32 PRO CA C 327 64.076 63.910 0.166 1
1 1466 . 9 2 2 B 32 32 PRO CB C 327 32.098 31.624 0.474 1
1 1469 . 9 2 2 B 33 33 ILE H H 328 8.233 8.211 0.022 1
1 1470 . 9 2 2 B 33 33 ILE HA H 328 3.829 4.318 -0.489 1
1 1480 . 9 2 2 B 33 33 ILE CA C 328 58.518 60.908 -2.390 1
1 1481 . 9 2 2 B 33 33 ILE CB C 328 36.419 37.093 -0.674 1
1 1485 . 9 2 2 B 33 33 ILE N N 328 121.037 117.590 3.447 1
1 1486 . 9 2 2 B 34 34 ASN H H 329 8.672 7.804 0.868 1
1 1487 . 9 2 2 B 34 34 ASN HA H 329 5.225 5.196 0.029 1
1 1492 . 9 2 2 B 34 34 ASN CA C 329 49.359 50.832 -1.473 1
1 1493 . 9 2 2 B 34 34 ASN CB C 329 38.952 40.006 -1.054 1
1 1494 . 9 2 2 B 34 34 ASN N N 329 121.624 120.244 1.380 1
1 1496 . 9 2 2 B 35 35 PRO HA H 330 4.509 4.290 0.219 1
1 1503 . 9 2 2 B 35 35 PRO CA C 330 62.553 63.801 -1.248 1
1 1504 . 9 2 2 B 35 35 PRO CB C 330 31.844 31.825 0.019 1
1 1507 . 9 2 2 B 36 36 PHE H H 331 7.738 7.967 -0.229 1
1 1508 . 9 2 2 B 36 36 PHE HA H 331 4.836 4.681 0.155 1
1 1514 . 9 2 2 B 36 36 PHE CA C 331 56.981 57.220 -0.239 1
1 1515 . 9 2 2 B 36 36 PHE CB C 331 39.210 39.001 0.209 1
1 1519 . 9 2 2 B 36 36 PHE N N 331 116.513 116.984 -0.471 1
1 1520 . 9 2 2 B 37 37 SER H H 332 7.221 7.713 -0.492 1
1 1521 . 9 2 2 B 37 37 SER HA H 332 4.273 4.141 0.132 1
1 1524 . 9 2 2 B 37 37 SER CA C 332 61.794 61.189 0.605 1
1 1525 . 9 2 2 B 37 37 SER CB C 332 62.810 62.332 0.478 1
1 1526 . 9 2 2 B 37 37 SER N N 332 115.256 115.281 -0.025 1
1 1527 . 9 2 2 B 38 38 ALA H H 333 8.551 7.595 0.956 1
1 1528 . 9 2 2 B 38 38 ALA HA H 333 4.308 4.154 0.154 1
1 1532 . 9 2 2 B 38 38 ALA CA C 333 54.464 54.318 0.146 1
1 1533 . 9 2 2 B 38 38 ALA CB C 333 18.148 18.240 -0.092 1
1 1534 . 9 2 2 B 38 38 ALA N N 333 123.216 124.164 -0.948 1
1 1535 . 9 2 2 B 39 39 PHE H H 334 7.842 7.693 0.149 1
1 1536 . 9 2 2 B 39 39 PHE HA H 334 4.165 4.155 0.010 1
1 1542 . 9 2 2 B 39 39 PHE CA C 334 60.541 61.216 -0.675 1
1 1543 . 9 2 2 B 39 39 PHE CB C 334 38.703 38.900 -0.197 1
1 1547 . 9 2 2 B 39 39 PHE N N 334 117.602 118.916 -1.314 1
1 1548 . 9 2 2 B 40 40 PHE H H 335 7.668 7.284 0.384 1
1 1549 . 9 2 2 B 40 40 PHE HA H 335 4.626 4.372 0.254 1
1 1555 . 9 2 2 B 40 40 PHE CA C 335 58.997 61.657 -2.660 1
1 1556 . 9 2 2 B 40 40 PHE CB C 335 39.427 38.118 1.309 1
1 1560 . 9 2 2 B 40 40 PHE N N 335 117.267 116.603 0.664 1
1 1561 . 9 2 2 B 41 41 GLU H H 336 8.105 8.179 -0.074 1
1 1562 . 9 2 2 B 41 41 GLU HA H 336 4.263 4.238 0.025 1
1 1567 . 9 2 2 B 41 41 GLU CA C 336 57.653 58.960 -1.307 1
1 1568 . 9 2 2 B 41 41 GLU CB C 336 30.320 29.447 0.873 1
1 1570 . 9 2 2 B 41 41 GLU N N 336 120.426 121.743 -1.317 1
1 1571 . 9 2 2 B 42 42 GLU H H 337 8.140 7.797 0.343 1
1 1572 . 9 2 2 B 42 42 GLU HA H 337 4.259 4.165 0.094 1
1 1577 . 9 2 2 B 42 42 GLU CA C 337 56.969 58.948 -1.979 1
1 1578 . 9 2 2 B 42 42 GLU CB C 337 30.018 29.629 0.389 1
1 1580 . 9 2 2 B 42 42 GLU N N 337 120.291 119.442 0.849 1
1 1581 . 9 2 2 B 43 43 GLN H H 338 8.058 7.747 0.311 1
1 1582 . 9 2 2 B 43 43 GLN HA H 338 4.282 4.259 0.023 1
1 1587 . 9 2 2 B 43 43 GLN CA C 338 56.127 57.201 -1.074 1
1 1588 . 9 2 2 B 43 43 GLN CB C 338 29.560 29.402 0.158 1
1 1590 . 9 2 2 B 43 43 GLN N N 338 119.529 117.702 1.827 1
1 1591 . 9 2 2 B 44 44 GLU H H 339 8.254 7.749 0.505 1
1 1592 . 9 2 2 B 44 44 GLU HA H 339 4.275 4.544 -0.269 1
1 1597 . 9 2 2 B 44 44 GLU CA C 339 56.683 55.503 1.180 1
1 1598 . 9 2 2 B 44 44 GLU N N 339 121.540 120.460 1.080 1
1 51 . 10 1 1 A 7 7 TRP H H 122 8.903 8.713 0.190 1
1 52 . 10 1 1 A 7 7 TRP HA H 122 5.048 5.412 -0.364 1
1 61 . 10 1 1 A 7 7 TRP CA C 122 54.452 58.390 -3.938 1
1 62 . 10 1 1 A 7 7 TRP CB C 122 29.834 30.369 -0.535 1
1 68 . 10 1 1 A 7 7 TRP N N 122 123.342 124.312 -0.970 1
1 70 . 10 1 1 A 8 8 ALA H H 123 8.015 8.134 -0.119 1
1 71 . 10 1 1 A 8 8 ALA HA H 123 3.864 3.898 -0.034 1
1 75 . 10 1 1 A 8 8 ALA CA C 123 53.436 50.950 2.486 1
1 76 . 10 1 1 A 8 8 ALA CB C 123 19.174 18.810 0.364 1
1 77 . 10 1 1 A 8 8 ALA N N 123 128.053 127.535 0.518 1
1 78 . 10 1 1 A 9 9 VAL H H 124 5.029 6.970 -1.941 1
1 79 . 10 1 1 A 9 9 VAL HA H 124 3.497 3.237 0.260 1
1 87 . 10 1 1 A 9 9 VAL CA C 124 61.304 61.995 -0.691 1
1 88 . 10 1 1 A 9 9 VAL CB C 124 29.834 29.640 0.194 1
1 91 . 10 1 1 A 9 9 VAL N N 124 113.760 113.735 0.025 1
1 92 . 10 1 1 A 10 10 LYS H H 125 8.812 7.692 1.120 1
1 93 . 10 1 1 A 10 10 LYS HA H 125 4.383 4.191 0.192 1
1 102 . 10 1 1 A 10 10 LYS CA C 125 54.959 55.147 -0.188 1
1 103 . 10 1 1 A 10 10 LYS CB C 125 30.849 32.102 -1.253 1
1 107 . 10 1 1 A 10 10 LYS N N 125 129.016 121.522 7.494 1
1 108 . 10 1 1 A 11 11 PRO HA H 126 4.229 4.300 -0.071 1
1 115 . 10 1 1 A 11 11 PRO CA C 126 65.872 65.813 0.059 1
1 116 . 10 1 1 A 11 11 PRO CB C 126 32.118 31.974 0.144 1
1 119 . 10 1 1 A 12 12 GLU H H 127 9.749 8.301 1.448 1
1 120 . 10 1 1 A 12 12 GLU HA H 127 4.075 4.089 -0.014 1
1 125 . 10 1 1 A 12 12 GLU CA C 127 59.464 59.564 -0.100 1
1 126 . 10 1 1 A 12 12 GLU CB C 127 28.565 29.177 -0.612 1
1 128 . 10 1 1 A 12 12 GLU N N 127 117.669 117.889 -0.220 1
1 129 . 10 1 1 A 13 13 ASP H H 128 6.907 8.427 -1.520 1
1 130 . 10 1 1 A 13 13 ASP HA H 128 4.115 4.165 -0.050 1
1 133 . 10 1 1 A 13 13 ASP CA C 128 56.482 56.456 0.026 1
1 134 . 10 1 1 A 13 13 ASP CB C 128 40.239 40.717 -0.478 1
1 135 . 10 1 1 A 13 13 ASP N N 128 120.880 118.909 1.971 1
1 136 . 10 1 1 A 14 14 LYS H H 129 8.162 8.494 -0.332 1
1 137 . 10 1 1 A 14 14 LYS HA H 129 3.645 4.013 -0.368 1
1 146 . 10 1 1 A 14 14 LYS CA C 129 58.512 59.391 -0.879 1
1 147 . 10 1 1 A 14 14 LYS CB C 129 32.118 32.250 -0.132 1
1 151 . 10 1 1 A 14 14 LYS N N 129 120.161 121.324 -1.163 1
1 152 . 10 1 1 A 15 15 ALA H H 130 7.836 8.298 -0.462 1
1 153 . 10 1 1 A 15 15 ALA HA H 130 4.254 4.084 0.170 1
1 157 . 10 1 1 A 15 15 ALA CA C 130 55.213 54.917 0.296 1
1 158 . 10 1 1 A 15 15 ALA CB C 130 17.906 18.220 -0.314 1
1 159 . 10 1 1 A 15 15 ALA N N 130 118.204 120.054 -1.850 1
1 160 . 10 1 1 A 16 16 LYS H H 131 7.055 7.730 -0.675 1
1 161 . 10 1 1 A 16 16 LYS HA H 131 4.128 4.145 -0.017 1
1 170 . 10 1 1 A 16 16 LYS CA C 131 59.274 59.237 0.037 1
1 171 . 10 1 1 A 16 16 LYS CB C 131 31.864 32.016 -0.152 1
1 175 . 10 1 1 A 16 16 LYS N N 131 119.703 119.110 0.593 1
1 176 . 10 1 1 A 17 17 TYR H H 132 8.606 8.218 0.388 1
1 177 . 10 1 1 A 17 17 TYR HA H 132 4.812 4.422 0.390 1
1 182 . 10 1 1 A 17 17 TYR CA C 132 58.005 61.549 -3.544 1
1 183 . 10 1 1 A 17 17 TYR CB C 132 35.417 37.623 -2.206 1
1 186 . 10 1 1 A 17 17 TYR N N 132 122.165 118.887 3.278 1
1 187 . 10 1 1 A 18 18 ASP H H 133 9.404 8.969 0.435 1
1 188 . 10 1 1 A 18 18 ASP HA H 133 4.456 4.582 -0.126 1
1 191 . 10 1 1 A 18 18 ASP CA C 133 57.497 57.925 -0.428 1
1 192 . 10 1 1 A 18 18 ASP CB C 133 40.493 41.879 -1.386 1
1 193 . 10 1 1 A 18 18 ASP N N 133 121.201 121.237 -0.036 1
1 194 . 10 1 1 A 19 19 ALA H H 134 7.360 7.714 -0.354 1
1 195 . 10 1 1 A 19 19 ALA HA H 134 4.383 4.123 0.260 1
1 199 . 10 1 1 A 19 19 ALA CA C 134 54.959 55.094 -0.135 1
1 200 . 10 1 1 A 19 19 ALA CB C 134 17.906 18.482 -0.576 1
1 201 . 10 1 1 A 19 19 ALA N N 134 120.666 121.336 -0.670 1
1 202 . 10 1 1 A 20 20 ILE H H 135 7.778 7.886 -0.108 1
1 203 . 10 1 1 A 20 20 ILE HA H 135 3.795 3.912 -0.117 1
1 213 . 10 1 1 A 20 20 ILE CA C 135 64.857 64.566 0.291 1
1 214 . 10 1 1 A 20 20 ILE CB C 135 38.463 37.639 0.824 1
1 218 . 10 1 1 A 20 20 ILE N N 135 120.238 116.794 3.444 1
1 219 . 10 1 1 A 21 21 PHE H H 136 9.262 8.807 0.455 1
1 220 . 10 1 1 A 21 21 PHE HA H 136 3.195 4.093 -0.898 1
1 226 . 10 1 1 A 21 21 PHE CA C 136 62.065 62.351 -0.286 1
1 227 . 10 1 1 A 21 21 PHE CB C 136 38.970 39.491 -0.521 1
1 231 . 10 1 1 A 21 21 PHE N N 136 123.878 123.495 0.383 1
1 232 . 10 1 1 A 22 22 ASP H H 137 8.410 8.802 -0.392 1
1 233 . 10 1 1 A 22 22 ASP HA H 137 4.287 4.468 -0.181 1
1 236 . 10 1 1 A 22 22 ASP CA C 137 57.497 57.567 -0.070 1
1 237 . 10 1 1 A 22 22 ASP CB C 137 40.493 42.085 -1.592 1
1 238 . 10 1 1 A 22 22 ASP N N 137 115.420 120.264 -4.844 1
1 239 . 10 1 1 A 23 23 SER H H 138 7.946 7.842 0.104 1
1 240 . 10 1 1 A 23 23 SER HA H 138 4.475 4.249 0.226 1
1 243 . 10 1 1 A 23 23 SER CA C 138 60.543 60.922 -0.379 1
1 244 . 10 1 1 A 23 23 SER CB C 138 63.334 63.027 0.307 1
1 245 . 10 1 1 A 23 23 SER N N 138 117.133 114.049 3.084 1
1 246 . 10 1 1 A 24 24 LEU H H 139 7.338 7.513 -0.175 1
1 247 . 10 1 1 A 24 24 LEU HA H 139 4.333 4.315 0.018 1
1 257 . 10 1 1 A 24 24 LEU CA C 139 54.452 54.489 -0.037 1
1 258 . 10 1 1 A 24 24 LEU CB C 139 42.016 41.976 0.040 1
1 262 . 10 1 1 A 24 24 LEU N N 139 123.003 119.056 3.947 1
1 263 . 10 1 1 A 25 25 SER H H 140 7.698 7.923 -0.225 1
1 264 . 10 1 1 A 25 25 SER HA H 140 4.036 4.225 -0.189 1
1 268 . 10 1 1 A 25 25 SER CA C 140 58.005 58.662 -0.657 1
1 269 . 10 1 1 A 25 25 SER CB C 140 60.796 61.678 -0.882 1
1 270 . 10 1 1 A 25 25 SER N N 140 109.104 113.404 -4.300 1
1 271 . 10 1 1 A 26 26 PRO HA H 141 4.114 4.453 -0.339 1
1 278 . 10 1 1 A 26 26 PRO CA C 141 62.827 62.465 0.362 1
1 279 . 10 1 1 A 26 26 PRO CB C 141 32.650 32.510 0.140 1
1 282 . 10 1 1 A 27 27 VAL H H 142 8.410 8.823 -0.413 1
1 283 . 10 1 1 A 27 27 VAL HA H 142 4.297 4.415 -0.118 1
1 291 . 10 1 1 A 27 27 VAL CA C 142 61.812 61.310 0.502 1
1 292 . 10 1 1 A 27 27 VAL CB C 142 33.641 31.225 2.416 1
1 295 . 10 1 1 A 27 27 VAL N N 142 120.987 120.953 0.034 1
1 296 . 10 1 1 A 28 28 ASN H H 143 9.694 9.634 0.060 1
1 297 . 10 1 1 A 28 28 ASN HA H 143 4.425 4.577 -0.152 1
1 302 . 10 1 1 A 28 28 ASN CA C 143 54.198 54.724 -0.526 1
1 303 . 10 1 1 A 28 28 ASN CB C 143 37.701 37.138 0.563 1
1 304 . 10 1 1 A 28 28 ASN N N 143 127.946 127.493 0.453 1
1 306 . 10 1 1 A 29 29 GLY H H 144 8.410 8.716 -0.306 1
1 307 . 10 1 1 A 29 29 GLY HA2 H 144 3.582 3.778 -0.196 1
1 308 . 10 1 1 A 29 29 GLY HA3 H 144 3.976 3.972 0.004 1
1 309 . 10 1 1 A 29 29 GLY CA C 144 44.808 45.632 -0.824 1
1 310 . 10 1 1 A 29 29 GLY N N 144 99.790 105.185 -5.395 1
1 311 . 10 1 1 A 30 30 PHE H H 145 7.749 8.334 -0.585 1
1 312 . 10 1 1 A 30 30 PHE HA H 145 5.476 5.269 0.207 1
1 318 . 10 1 1 A 30 30 PHE CA C 145 56.736 56.914 -0.178 1
1 319 . 10 1 1 A 30 30 PHE CB C 145 44.554 42.386 2.168 1
1 323 . 10 1 1 A 30 30 PHE N N 145 115.206 118.530 -3.324 1
1 324 . 10 1 1 A 31 31 LEU H H 146 9.492 9.463 0.029 1
1 325 . 10 1 1 A 31 31 LEU HA H 146 4.765 5.163 -0.398 1
1 335 . 10 1 1 A 31 31 LEU CA C 146 52.929 53.227 -0.298 1
1 336 . 10 1 1 A 31 31 LEU CB C 146 45.569 44.828 0.741 1
1 340 . 10 1 1 A 31 31 LEU N N 146 121.522 123.536 -2.014 1
1 341 . 10 1 1 A 32 32 SER H H 147 7.822 8.476 -0.654 1
1 342 . 10 1 1 A 32 32 SER HA H 147 4.951 5.251 -0.300 1
1 345 . 10 1 1 A 32 32 SER CA C 147 57.243 56.371 0.872 1
1 346 . 10 1 1 A 32 32 SER CB C 147 64.603 66.561 -1.958 1
1 347 . 10 1 1 A 32 32 SER N N 147 116.938 115.622 1.316 1
1 348 . 10 1 1 A 33 33 GLY H H 148 9.072 9.037 0.035 1
1 349 . 10 1 1 A 33 33 GLY HA2 H 148 3.689 3.530 0.159 1
1 350 . 10 1 1 A 33 33 GLY HA3 H 148 3.690 3.532 0.158 1
1 351 . 10 1 1 A 33 33 GLY CA C 148 48.614 47.315 1.299 1
1 352 . 10 1 1 A 33 33 GLY N N 148 109.104 108.661 0.443 1
1 353 . 10 1 1 A 34 34 ASP H H 149 8.600 8.320 0.280 1
1 354 . 10 1 1 A 34 34 ASP HA H 149 4.222 4.257 -0.035 1
1 357 . 10 1 1 A 34 34 ASP CA C 149 56.228 56.580 -0.352 1
1 358 . 10 1 1 A 34 34 ASP CB C 149 39.985 39.724 0.261 1
1 359 . 10 1 1 A 34 34 ASP N N 149 117.454 121.843 -4.389 1
1 360 . 10 1 1 A 35 35 LYS H H 150 7.453 7.591 -0.138 1
1 361 . 10 1 1 A 35 35 LYS HA H 150 4.352 4.291 0.061 1
1 370 . 10 1 1 A 35 35 LYS CA C 150 57.497 57.621 -0.124 1
1 371 . 10 1 1 A 35 35 LYS CB C 150 34.402 33.456 0.946 1
1 375 . 10 1 1 A 35 35 LYS N N 150 117.347 118.352 -1.005 1
1 376 . 10 1 1 A 36 36 VAL H H 151 7.691 8.434 -0.743 1
1 377 . 10 1 1 A 36 36 VAL HA H 151 3.979 3.441 0.538 1
1 385 . 10 1 1 A 36 36 VAL CA C 151 65.365 66.631 -1.266 1
1 386 . 10 1 1 A 36 36 VAL CB C 151 33.894 31.568 2.326 1
1 389 . 10 1 1 A 36 36 VAL N N 151 116.919 120.573 -3.654 1
1 390 . 10 1 1 A 37 37 LYS H H 152 8.610 8.580 0.030 1
1 391 . 10 1 1 A 37 37 LYS HA H 152 4.100 4.167 -0.067 1
1 399 . 10 1 1 A 37 37 LYS CA C 152 58.005 61.477 -3.472 1
1 400 . 10 1 1 A 37 37 LYS CB C 152 29.834 29.866 -0.032 1
1 404 . 10 1 1 A 37 37 LYS N N 152 120.916 120.635 0.281 1
1 405 . 10 1 1 A 38 38 PRO HA H 153 4.248 4.423 -0.175 1
1 412 . 10 1 1 A 38 38 PRO CA C 153 66.380 65.133 1.247 1
1 413 . 10 1 1 A 38 38 PRO CB C 153 31.610 31.275 0.335 1
1 416 . 10 1 1 A 39 39 VAL H H 154 7.059 7.047 0.012 1
1 417 . 10 1 1 A 39 39 VAL HA H 154 4.100 4.497 -0.397 1
1 425 . 10 1 1 A 39 39 VAL CA C 154 65.872 64.571 1.301 1
1 426 . 10 1 1 A 39 39 VAL CB C 154 32.118 31.402 0.716 1
1 429 . 10 1 1 A 39 39 VAL N N 154 116.812 116.344 0.468 1
1 430 . 10 1 1 A 40 40 LEU H H 155 8.203 7.968 0.235 1
1 431 . 10 1 1 A 40 40 LEU HA H 155 4.206 4.195 0.011 1
1 441 . 10 1 1 A 40 40 LEU CA C 155 62.070 57.377 4.693 1
1 442 . 10 1 1 A 40 40 LEU CB C 155 42.121 41.791 0.330 1
1 445 . 10 1 1 A 40 40 LEU N N 155 117.561 120.929 -3.368 1
1 446 . 10 1 1 A 41 41 LEU H H 156 8.629 8.529 0.100 1
1 447 . 10 1 1 A 41 41 LEU HA H 156 4.141 4.260 -0.119 1
1 457 . 10 1 1 A 41 41 LEU CA C 156 58.000 55.669 2.331 1
1 458 . 10 1 1 A 41 41 LEU CB C 156 41.762 40.947 0.815 1
1 462 . 10 1 1 A 42 42 ASN HA H 157 4.785 4.621 0.164 1
1 465 . 10 1 1 A 42 42 ASN CA C 157 54.959 55.478 -0.519 1
1 466 . 10 1 1 A 42 42 ASN CB C 157 37.701 38.333 -0.632 1
1 467 . 10 1 1 A 43 43 SER H H 158 7.849 7.587 0.262 1
1 468 . 10 1 1 A 43 43 SER HA H 158 3.480 4.634 -1.154 1
1 471 . 10 1 1 A 43 43 SER CA C 158 60.796 56.315 4.481 1
1 472 . 10 1 1 A 43 43 SER CB C 158 64.096 66.184 -2.088 1
1 473 . 10 1 1 A 43 43 SER N N 158 114.778 111.788 2.990 1
1 474 . 10 1 1 A 44 44 LYS H H 159 7.633 8.579 -0.946 1
1 475 . 10 1 1 A 44 44 LYS HA H 159 3.868 4.362 -0.494 1
1 484 . 10 1 1 A 44 44 LYS CA C 159 58.005 56.621 1.384 1
1 485 . 10 1 1 A 44 44 LYS CB C 159 29.341 32.669 -3.328 1
1 489 . 10 1 1 A 44 44 LYS N N 159 111.031 122.112 -11.081 1
1 490 . 10 1 1 A 45 45 LEU H H 160 7.287 7.305 -0.018 1
1 491 . 10 1 1 A 45 45 LEU HA H 160 4.421 4.361 0.060 1
1 501 . 10 1 1 A 45 45 LEU CA C 160 53.183 53.539 -0.356 1
1 502 . 10 1 1 A 45 45 LEU CB C 160 41.508 41.829 -0.321 1
1 506 . 10 1 1 A 45 45 LEU N N 160 121.094 122.303 -1.209 1
1 507 . 10 1 1 A 46 46 PRO HA H 161 4.493 4.637 -0.144 1
1 514 . 10 1 1 A 46 46 PRO CA C 161 62.065 62.891 -0.826 1
1 515 . 10 1 1 A 46 46 PRO CB C 161 32.879 32.796 0.083 1
1 518 . 10 1 1 A 47 47 VAL H H 162 8.112 8.624 -0.512 1
1 519 . 10 1 1 A 47 47 VAL HA H 162 3.437 3.739 -0.302 1
1 527 . 10 1 1 A 47 47 VAL CA C 162 66.634 65.087 1.547 1
1 528 . 10 1 1 A 47 47 VAL CB C 162 28.508 31.570 -3.062 1
1 531 . 10 1 1 A 47 47 VAL N N 162 121.522 123.329 -1.807 1
1 532 . 10 1 1 A 48 48 ASP H H 163 8.753 8.251 0.502 1
1 533 . 10 1 1 A 48 48 ASP HA H 163 4.582 4.332 0.250 1
1 536 . 10 1 1 A 48 48 ASP CA C 163 56.990 57.672 -0.682 1
1 537 . 10 1 1 A 48 48 ASP CB C 163 40.239 41.044 -0.805 1
1 538 . 10 1 1 A 48 48 ASP N N 163 117.454 120.084 -2.630 1
1 539 . 10 1 1 A 49 49 ILE H H 164 7.051 7.440 -0.389 1
1 540 . 10 1 1 A 49 49 ILE HA H 164 3.802 3.867 -0.065 1
1 550 . 10 1 1 A 49 49 ILE CA C 164 63.081 64.413 -1.332 1
1 551 . 10 1 1 A 49 49 ILE CB C 164 36.940 37.381 -0.441 1
1 555 . 10 1 1 A 49 49 ILE N N 164 119.167 118.068 1.099 1
1 556 . 10 1 1 A 50 50 LEU H H 165 7.626 8.279 -0.653 1
1 557 . 10 1 1 A 50 50 LEU HA H 165 3.447 4.081 -0.634 1
1 567 . 10 1 1 A 50 50 LEU CA C 165 57.751 58.081 -0.330 1
1 568 . 10 1 1 A 50 50 LEU CB C 165 40.239 41.644 -1.405 1
1 572 . 10 1 1 A 50 50 LEU N N 165 119.274 121.993 -2.719 1
1 573 . 10 1 1 A 51 51 GLY H H 166 8.744 8.718 0.026 1
1 574 . 10 1 1 A 51 51 GLY HA2 H 166 3.480 3.787 -0.307 1
1 575 . 10 1 1 A 51 51 GLY HA3 H 166 2.888 3.835 -0.947 1
1 576 . 10 1 1 A 51 51 GLY CA C 166 46.584 47.184 -0.600 1
1 577 . 10 1 1 A 51 51 GLY N N 166 104.501 106.766 -2.265 1
1 578 . 10 1 1 A 52 52 ARG H H 167 7.189 7.972 -0.783 1
1 579 . 10 1 1 A 52 52 ARG HA H 167 3.977 4.096 -0.119 1
1 586 . 10 1 1 A 52 52 ARG CA C 167 59.527 59.838 -0.311 1
1 587 . 10 1 1 A 52 52 ARG CB C 167 29.834 30.037 -0.203 1
1 590 . 10 1 1 A 52 52 ARG N N 167 122.700 122.217 0.483 1
1 591 . 10 1 1 A 53 53 VAL H H 168 8.411 8.474 -0.063 1
1 592 . 10 1 1 A 53 53 VAL HA H 168 3.390 3.694 -0.304 1
1 600 . 10 1 1 A 53 53 VAL CA C 168 67.395 66.732 0.663 1
1 601 . 10 1 1 A 53 53 VAL CB C 168 31.103 31.725 -0.622 1
1 604 . 10 1 1 A 53 53 VAL N N 168 119.596 120.579 -0.983 1
1 605 . 10 1 1 A 54 54 TRP H H 169 8.573 8.762 -0.189 1
1 606 . 10 1 1 A 54 54 TRP HA H 169 3.738 4.492 -0.754 1
1 615 . 10 1 1 A 54 54 TRP CA C 169 61.812 61.256 0.556 1
1 616 . 10 1 1 A 54 54 TRP CB C 169 27.550 29.695 -2.145 1
1 622 . 10 1 1 A 54 54 TRP N N 169 121.308 121.273 0.035 1
1 624 . 10 1 1 A 55 55 GLU H H 170 7.783 8.761 -0.978 1
1 625 . 10 1 1 A 55 55 GLU HA H 170 4.030 4.211 -0.181 1
1 630 . 10 1 1 A 55 55 GLU CA C 170 59.020 59.236 -0.216 1
1 631 . 10 1 1 A 55 55 GLU CB C 170 30.088 29.500 0.588 1
1 633 . 10 1 1 A 55 55 GLU N N 170 116.384 119.785 -3.401 1
1 634 . 10 1 1 A 56 56 LEU H H 171 8.005 7.932 0.073 1
1 635 . 10 1 1 A 56 56 LEU HA H 171 4.003 4.252 -0.249 1
1 645 . 10 1 1 A 56 56 LEU CA C 171 56.736 57.367 -0.631 1
1 646 . 10 1 1 A 56 56 LEU CB C 171 43.539 42.051 1.488 1
1 650 . 10 1 1 A 56 56 LEU N N 171 115.771 120.196 -4.425 1
1 651 . 10 1 1 A 57 57 SER H H 172 7.501 8.869 -1.368 1
1 652 . 10 1 1 A 57 57 SER HA H 172 4.154 4.266 -0.112 1
1 655 . 10 1 1 A 57 57 SER CA C 172 61.812 61.504 0.308 1
1 656 . 10 1 1 A 57 57 SER CB C 172 63.588 62.525 1.063 1
1 657 . 10 1 1 A 57 57 SER N N 172 112.209 113.908 -1.699 1
1 658 . 10 1 1 A 58 58 ASP H H 173 7.592 7.743 -0.151 1
1 659 . 10 1 1 A 58 58 ASP HA H 173 4.550 4.464 0.086 1
1 662 . 10 1 1 A 58 58 ASP CA C 173 51.914 53.129 -1.215 1
1 663 . 10 1 1 A 58 58 ASP CB C 173 36.940 39.731 -2.791 1
1 664 . 10 1 1 A 58 58 ASP N N 173 117.133 120.605 -3.472 1
1 665 . 10 1 1 A 59 59 ILE H H 174 8.078 7.768 0.310 1
1 666 . 10 1 1 A 59 59 ILE HA H 174 3.354 3.556 -0.202 1
1 676 . 10 1 1 A 59 59 ILE CA C 174 64.857 64.985 -0.128 1
1 677 . 10 1 1 A 59 59 ILE CB C 174 39.985 37.815 2.170 1
1 681 . 10 1 1 A 59 59 ILE N N 174 128.160 125.199 2.961 1
1 682 . 10 1 1 A 60 60 ASP H H 175 7.795 8.063 -0.268 1
1 683 . 10 1 1 A 60 60 ASP HA H 175 4.361 4.472 -0.111 1
1 686 . 10 1 1 A 60 60 ASP CA C 175 52.167 52.925 -0.758 1
1 687 . 10 1 1 A 60 60 ASP CB C 175 39.732 40.229 -0.497 1
1 688 . 10 1 1 A 60 60 ASP N N 175 113.493 117.391 -3.898 1
1 689 . 10 1 1 A 61 61 HIS H H 176 7.521 7.884 -0.363 1
1 690 . 10 1 1 A 61 61 HIS HA H 176 4.236 4.554 -0.318 1
1 694 . 10 1 1 A 61 61 HIS CA C 176 56.228 56.880 -0.652 1
1 695 . 10 1 1 A 61 61 HIS CB C 176 26.534 26.601 -0.067 1
1 697 . 10 1 1 A 61 61 HIS N N 176 112.637 113.779 -1.142 1
1 698 . 10 1 1 A 62 62 ASP H H 177 8.547 7.913 0.634 1
1 699 . 10 1 1 A 62 62 ASP HA H 177 4.769 4.508 0.261 1
1 702 . 10 1 1 A 62 62 ASP CA C 177 53.436 53.446 -0.010 1
1 703 . 10 1 1 A 62 62 ASP CB C 177 40.747 40.407 0.340 1
1 704 . 10 1 1 A 62 62 ASP N N 177 118.739 119.256 -0.517 1
1 705 . 10 1 1 A 63 63 GLY H H 178 10.793 9.110 1.683 1
1 706 . 10 1 1 A 63 63 GLY HA2 H 178 4.398 4.066 0.332 1
1 707 . 10 1 1 A 63 63 GLY HA3 H 178 3.946 4.194 -0.248 1
1 708 . 10 1 1 A 63 63 GLY CA C 178 46.330 45.583 0.747 1
1 709 . 10 1 1 A 63 63 GLY N N 178 112.958 111.218 1.740 1
1 710 . 10 1 1 A 64 64 MET H H 179 8.337 7.977 0.360 1
1 711 . 10 1 1 A 64 64 MET HA H 179 5.360 5.107 0.253 1
1 719 . 10 1 1 A 64 64 MET CA C 179 52.929 54.260 -1.331 1
1 720 . 10 1 1 A 64 64 MET CB C 179 36.432 37.307 -0.875 1
1 722 . 10 1 1 A 64 64 MET N N 179 118.525 119.532 -1.007 1
1 723 . 10 1 1 A 65 65 LEU H H 180 9.471 9.825 -0.354 1
1 724 . 10 1 1 A 65 65 LEU HA H 180 5.838 4.977 0.861 1
1 734 . 10 1 1 A 65 65 LEU CA C 180 53.436 53.661 -0.225 1
1 735 . 10 1 1 A 65 65 LEU CB C 180 43.285 42.542 0.743 1
1 739 . 10 1 1 A 65 65 LEU N N 180 120.987 123.121 -2.134 1
1 740 . 10 1 1 A 66 66 ASP H H 181 9.203 8.591 0.612 1
1 741 . 10 1 1 A 66 66 ASP HA H 181 5.378 4.679 0.699 1
1 744 . 10 1 1 A 66 66 ASP CA C 181 51.914 52.854 -0.940 1
1 745 . 10 1 1 A 66 66 ASP CB C 181 40.493 41.046 -0.553 1
1 746 . 10 1 1 A 66 66 ASP N N 181 124.306 125.953 -1.647 1
1 747 . 10 1 1 A 67 67 ARG H H 182 8.130 8.228 -0.098 1
1 748 . 10 1 1 A 67 67 ARG HA H 182 2.758 3.058 -0.300 1
1 755 . 10 1 1 A 67 67 ARG CA C 182 60.543 59.247 1.296 1
1 756 . 10 1 1 A 67 67 ARG CB C 182 30.595 29.479 1.116 1
1 759 . 10 1 1 A 67 67 ARG N N 182 117.454 120.960 -3.506 1
1 760 . 10 1 1 A 68 68 ASP H H 183 7.871 8.673 -0.802 1
1 761 . 10 1 1 A 68 68 ASP HA H 183 4.748 4.585 0.163 1
1 764 . 10 1 1 A 68 68 ASP CA C 183 57.497 56.776 0.721 1
1 765 . 10 1 1 A 68 68 ASP CB C 183 40.747 40.499 0.248 1
1 766 . 10 1 1 A 68 68 ASP N N 183 119.703 119.385 0.318 1
1 767 . 10 1 1 A 69 69 GLU H H 184 8.775 8.274 0.501 1
1 768 . 10 1 1 A 69 69 GLU HA H 184 3.975 4.157 -0.182 1
1 773 . 10 1 1 A 69 69 GLU CA C 184 59.781 59.178 0.603 1
1 774 . 10 1 1 A 69 69 GLU CB C 184 31.762 29.553 2.209 1
1 776 . 10 1 1 A 69 69 GLU N N 184 120.987 120.856 0.131 1
1 777 . 10 1 1 A 70 70 PHE H H 185 9.331 8.994 0.337 1
1 778 . 10 1 1 A 70 70 PHE HA H 185 4.198 4.170 0.028 1
1 784 . 10 1 1 A 70 70 PHE CA C 185 61.812 61.686 0.126 1
1 785 . 10 1 1 A 70 70 PHE CB C 185 39.957 38.962 0.995 1
1 788 . 10 1 1 A 70 70 PHE N N 185 118.632 122.467 -3.835 1
1 789 . 10 1 1 A 71 71 ALA H H 186 7.622 8.230 -0.608 1
1 790 . 10 1 1 A 71 71 ALA HA H 186 3.991 4.095 -0.104 1
1 794 . 10 1 1 A 71 71 ALA CA C 186 55.213 55.244 -0.031 1
1 795 . 10 1 1 A 71 71 ALA CB C 186 18.921 18.269 0.652 1
1 796 . 10 1 1 A 71 71 ALA N N 186 120.131 121.299 -1.168 1
1 797 . 10 1 1 A 72 72 VAL H H 187 7.670 8.255 -0.585 1
1 798 . 10 1 1 A 72 72 VAL HA H 187 3.438 3.460 -0.022 1
1 806 . 10 1 1 A 72 72 VAL CA C 187 67.617 66.769 0.848 1
1 807 . 10 1 1 A 72 72 VAL CB C 187 31.357 31.722 -0.365 1
1 810 . 10 1 1 A 72 72 VAL N N 187 117.776 119.195 -1.419 1
1 811 . 10 1 1 A 73 73 ALA H H 188 8.040 8.173 -0.133 1
1 812 . 10 1 1 A 73 73 ALA HA H 188 3.892 4.044 -0.152 1
1 816 . 10 1 1 A 73 73 ALA CA C 188 55.974 55.608 0.366 1
1 817 . 10 1 1 A 73 73 ALA CB C 188 16.637 18.677 -2.040 1
1 818 . 10 1 1 A 73 73 ALA N N 188 122.058 122.081 -0.023 1
1 819 . 10 1 1 A 74 74 MET H H 189 7.908 8.207 -0.299 1
1 820 . 10 1 1 A 74 74 MET HA H 189 3.900 3.853 0.047 1
1 828 . 10 1 1 A 74 74 MET CA C 189 55.974 58.326 -2.352 1
1 829 . 10 1 1 A 74 74 MET CB C 189 29.072 31.038 -1.966 1
1 832 . 10 1 1 A 74 74 MET N N 189 114.029 117.208 -3.179 1
1 833 . 10 1 1 A 75 75 PHE H H 190 8.298 8.012 0.286 1
1 834 . 10 1 1 A 75 75 PHE HA H 190 4.245 4.443 -0.198 1
1 840 . 10 1 1 A 75 75 PHE CA C 190 61.812 61.372 0.440 1
1 841 . 10 1 1 A 75 75 PHE CB C 190 39.732 39.296 0.436 1
1 844 . 10 1 1 A 75 75 PHE N N 190 121.174 122.091 -0.917 1
1 845 . 10 1 1 A 76 76 LEU H H 191 8.761 8.092 0.669 1
1 846 . 10 1 1 A 76 76 LEU HA H 191 3.987 3.910 0.077 1
1 856 . 10 1 1 A 76 76 LEU CA C 191 58.005 57.386 0.619 1
1 857 . 10 1 1 A 76 76 LEU CB C 191 43.792 41.530 2.262 1
1 859 . 10 1 1 A 76 76 LEU N N 191 119.596 119.453 0.143 1
1 860 . 10 1 1 A 77 77 VAL H H 192 8.392 7.679 0.713 1
1 861 . 10 1 1 A 77 77 VAL HA H 192 3.205 3.499 -0.294 1
1 869 . 10 1 1 A 77 77 VAL CA C 192 67.395 66.233 1.162 1
1 870 . 10 1 1 A 77 77 VAL CB C 192 30.595 31.594 -0.999 1
1 873 . 10 1 1 A 77 77 VAL N N 192 120.773 119.241 1.532 1
1 874 . 10 1 1 A 78 78 TYR H H 193 8.617 7.679 0.938 1
1 875 . 10 1 1 A 78 78 TYR HA H 193 3.916 4.215 -0.299 1
1 880 . 10 1 1 A 78 78 TYR CA C 193 64.350 61.073 3.277 1
1 881 . 10 1 1 A 78 78 TYR CB C 193 36.940 37.251 -0.311 1
1 884 . 10 1 1 A 78 78 TYR N N 193 118.418 118.355 0.063 1
1 885 . 10 1 1 A 79 79 CYS H H 194 7.979 7.998 -0.019 1
1 886 . 10 1 1 A 79 79 CYS HA H 194 3.980 3.818 0.162 1
1 889 . 10 1 1 A 79 79 CYS CA C 194 63.842 62.139 1.703 1
1 890 . 10 1 1 A 79 79 CYS CB C 194 25.773 26.504 -0.731 1
1 891 . 10 1 1 A 79 79 CYS N N 194 117.133 118.563 -1.430 1
1 892 . 10 1 1 A 80 80 ALA H H 195 7.979 7.559 0.420 1
1 893 . 10 1 1 A 80 80 ALA HA H 195 4.372 4.072 0.300 1
1 897 . 10 1 1 A 80 80 ALA CA C 195 54.959 54.993 -0.034 1
1 898 . 10 1 1 A 80 80 ALA CB C 195 17.906 18.489 -0.583 1
1 899 . 10 1 1 A 80 80 ALA N N 195 123.128 122.886 0.242 1
1 900 . 10 1 1 A 81 81 LEU H H 196 8.620 7.872 0.748 1
1 901 . 10 1 1 A 81 81 LEU HA H 196 3.957 3.966 -0.009 1
1 911 . 10 1 1 A 81 81 LEU CA C 196 57.497 57.784 -0.287 1
1 912 . 10 1 1 A 81 81 LEU CB C 196 40.747 41.174 -0.427 1
1 916 . 10 1 1 A 81 81 LEU N N 196 123.021 119.765 3.256 1
1 917 . 10 1 1 A 82 82 GLU H H 197 7.483 8.325 -0.842 1
1 918 . 10 1 1 A 82 82 GLU HA H 197 4.497 4.231 0.266 1
1 923 . 10 1 1 A 82 82 GLU CA C 197 56.418 55.516 0.902 1
1 924 . 10 1 1 A 82 82 GLU CB C 197 28.819 28.671 0.148 1
1 926 . 10 1 1 A 82 82 GLU N N 197 118.311 115.517 2.794 1
1 927 . 10 1 1 A 83 83 LYS H H 198 7.832 7.747 0.085 1
1 928 . 10 1 1 A 83 83 LYS HA H 198 3.805 3.857 -0.052 1
1 937 . 10 1 1 A 83 83 LYS CA C 198 57.497 57.601 -0.104 1
1 938 . 10 1 1 A 83 83 LYS CB C 198 28.057 30.851 -2.794 1
1 942 . 10 1 1 A 83 83 LYS N N 198 111.674 118.400 -6.726 1
1 943 . 10 1 1 A 84 84 GLU H H 199 8.098 7.815 0.283 1
1 944 . 10 1 1 A 84 84 GLU HA H 199 4.635 4.518 0.117 1
1 949 . 10 1 1 A 84 84 GLU CA C 199 53.944 54.212 -0.268 1
1 950 . 10 1 1 A 84 84 GLU CB C 199 29.580 30.269 -0.689 1
1 952 . 10 1 1 A 84 84 GLU N N 199 121.737 120.746 0.991 1
1 953 . 10 1 1 A 85 85 PRO HA H 200 4.344 4.409 -0.065 1
1 960 . 10 1 1 A 85 85 PRO CA C 200 62.065 63.303 -1.238 1
1 961 . 10 1 1 A 85 85 PRO CB C 200 32.118 32.041 0.077 1
1 964 . 10 1 1 A 86 86 VAL H H 201 8.534 8.422 0.112 1
1 965 . 10 1 1 A 86 86 VAL HA H 201 4.275 4.520 -0.245 1
1 973 . 10 1 1 A 86 86 VAL CA C 201 60.035 59.377 0.658 1
1 974 . 10 1 1 A 86 86 VAL CB C 201 32.118 32.483 -0.365 1
1 977 . 10 1 1 A 86 86 VAL N N 201 125.055 123.450 1.605 1
1 978 . 10 1 1 A 87 87 PRO HA H 202 4.571 4.629 -0.058 1
1 985 . 10 1 1 A 87 87 PRO CA C 202 62.827 62.882 -0.055 1
1 986 . 10 1 1 A 87 87 PRO CB C 202 32.879 32.782 0.097 1
1 989 . 10 1 1 A 88 88 MET H H 203 8.536 8.295 0.241 1
1 990 . 10 1 1 A 88 88 MET HA H 203 4.437 4.433 0.004 1
1 998 . 10 1 1 A 88 88 MET CA C 203 55.974 55.779 0.195 1
1 999 . 10 1 1 A 88 88 MET CB C 203 32.372 33.272 -0.900 1
1 1001 . 10 1 1 A 88 88 MET N N 203 114.671 117.855 -3.184 1
1 1002 . 10 1 1 A 89 89 SER H H 204 7.588 7.708 -0.120 1
1 1003 . 10 1 1 A 89 89 SER HA H 204 4.482 4.821 -0.339 1
1 1006 . 10 1 1 A 89 89 SER CA C 204 56.482 57.597 -1.115 1
1 1007 . 10 1 1 A 89 89 SER CB C 204 65.111 65.259 -0.148 1
1 1008 . 10 1 1 A 89 89 SER N N 204 110.603 115.547 -4.944 1
1 1009 . 10 1 1 A 90 90 LEU H H 205 9.188 8.259 0.929 1
1 1010 . 10 1 1 A 90 90 LEU HA H 205 4.314 4.482 -0.168 1
1 1020 . 10 1 1 A 90 90 LEU CA C 205 53.436 52.704 0.732 1
1 1021 . 10 1 1 A 90 90 LEU CB C 205 41.785 42.828 -1.043 1
1 1024 . 10 1 1 A 90 90 LEU N N 205 124.627 126.247 -1.620 1
1 1025 . 10 1 1 A 91 91 PRO HA H 206 4.794 4.760 0.034 1
1 1032 . 10 1 1 A 91 91 PRO CA C 206 61.304 62.108 -0.804 1
1 1033 . 10 1 1 A 91 91 PRO CB C 206 31.116 31.666 -0.550 1
1 1036 . 10 1 1 A 92 92 PRO HA H 207 4.221 4.230 -0.009 1
1 1043 . 10 1 1 A 92 92 PRO CA C 207 66.057 65.061 0.996 1
1 1044 . 10 1 1 A 92 92 PRO CB C 207 31.889 31.831 0.058 1
1 1047 . 10 1 1 A 93 93 ALA H H 208 8.509 8.181 0.328 1
1 1048 . 10 1 1 A 93 93 ALA HA H 208 4.181 4.186 -0.005 1
1 1052 . 10 1 1 A 93 93 ALA CA C 208 54.198 54.363 -0.165 1
1 1053 . 10 1 1 A 93 93 ALA CB C 208 18.413 18.348 0.065 1
1 1054 . 10 1 1 A 93 93 ALA N N 208 115.742 120.004 -4.262 1
1 1055 . 10 1 1 A 94 94 LEU H H 209 8.225 7.859 0.366 1
1 1056 . 10 1 1 A 94 94 LEU HA H 209 4.341 4.317 0.024 1
1 1066 . 10 1 1 A 94 94 LEU CA C 209 54.452 53.832 0.620 1
1 1067 . 10 1 1 A 94 94 LEU CB C 209 43.285 42.120 1.165 1
1 1071 . 10 1 1 A 94 94 LEU N N 209 118.204 111.738 6.466 1
1 1072 . 10 1 1 A 95 95 VAL H H 210 7.400 7.379 0.021 1
1 1073 . 10 1 1 A 95 95 VAL HA H 210 3.762 4.669 -0.907 1
1 1081 . 10 1 1 A 95 95 VAL CA C 210 61.812 59.158 2.654 1
1 1082 . 10 1 1 A 95 95 VAL CB C 210 32.118 33.448 -1.330 1
1 1085 . 10 1 1 A 95 95 VAL N N 210 123.021 121.486 1.535 1
1 1089 . 10 1 1 A 97 97 PRO HA H 212 3.641 4.186 -0.545 1
1 1096 . 10 1 1 A 97 97 PRO CA C 212 66.126 65.308 0.818 1
1 1097 . 10 1 1 A 97 97 PRO CB C 212 31.864 31.797 0.067 1
1 1100 . 10 1 1 A 98 98 SER H H 213 8.243 7.943 0.300 1
1 1101 . 10 1 1 A 98 98 SER HA H 213 4.124 4.195 -0.071 1
1 1104 . 10 1 1 A 98 98 SER CA C 213 59.781 60.540 -0.759 1
1 1105 . 10 1 1 A 98 98 SER CB C 213 62.573 62.923 -0.350 1
1 1106 . 10 1 1 A 98 98 SER N N 213 110.924 111.794 -0.870 1
1 1107 . 10 1 1 A 99 99 LYS H H 214 8.125 8.035 0.090 1
1 1108 . 10 1 1 A 99 99 LYS HA H 214 4.563 4.483 0.080 1
1 1117 . 10 1 1 A 99 99 LYS CA C 214 54.198 55.186 -0.988 1
1 1118 . 10 1 1 A 99 99 LYS CB C 214 32.879 32.723 0.156 1
1 1122 . 10 1 1 A 99 99 LYS N N 214 120.024 117.092 2.932 1
1 1180 . 10 2 2 B 7 7 SER HA H 302 4.483 4.762 -0.279 1
1 1183 . 10 2 2 B 7 7 SER CA C 302 58.429 57.802 0.627 1
1 1184 . 10 2 2 B 7 7 SER CB C 302 63.758 63.746 0.012 1
1 1185 . 10 2 2 B 8 8 VAL H H 303 8.238 8.558 -0.320 1
1 1186 . 10 2 2 B 8 8 VAL HA H 303 4.252 4.154 0.098 1
1 1194 . 10 2 2 B 8 8 VAL CA C 303 62.311 63.395 -1.084 1
1 1195 . 10 2 2 B 8 8 VAL CB C 303 32.824 31.984 0.840 1
1 1198 . 10 2 2 B 8 8 VAL N N 303 121.875 125.390 -3.515 1
1 1199 . 10 2 2 B 9 9 THR H H 304 8.221 7.883 0.338 1
1 1200 . 10 2 2 B 9 9 THR HA H 304 4.369 4.008 0.361 1
1 1205 . 10 2 2 B 9 9 THR CA C 304 61.795 64.684 -2.889 1
1 1206 . 10 2 2 B 9 9 THR CB C 304 69.666 68.751 0.915 1
1 1208 . 10 2 2 B 9 9 THR N N 304 117.435 116.127 1.308 1
1 1209 . 10 2 2 B 10 10 GLU H H 305 8.342 7.748 0.594 1
1 1210 . 10 2 2 B 10 10 GLU HA H 305 4.292 4.413 -0.121 1
1 1215 . 10 2 2 B 10 10 GLU CA C 305 56.488 55.477 1.011 1
1 1216 . 10 2 2 B 10 10 GLU CB C 305 30.344 28.412 1.932 1
1 1218 . 10 2 2 B 10 10 GLU N N 305 123.467 120.909 2.558 1
1 1219 . 10 2 2 B 11 11 ALA H H 306 8.299 8.373 -0.074 1
1 1220 . 10 2 2 B 11 11 ALA HA H 306 4.330 4.659 -0.329 1
1 1224 . 10 2 2 B 11 11 ALA CA C 306 52.164 51.280 0.884 1
1 1225 . 10 2 2 B 11 11 ALA CB C 306 19.377 20.478 -1.101 1
1 1226 . 10 2 2 B 11 11 ALA N N 306 124.975 127.460 -2.485 1
1 1227 . 10 2 2 B 12 12 SER H H 307 8.304 7.679 0.625 1
1 1228 . 10 2 2 B 12 12 SER HA H 307 4.628 5.124 -0.496 1
1 1231 . 10 2 2 B 12 12 SER CA C 307 56.214 55.784 0.430 1
1 1232 . 10 2 2 B 12 12 SER CB C 307 63.419 65.666 -2.247 1
1 1233 . 10 2 2 B 12 12 SER N N 307 116.597 114.421 2.176 1
1 1234 . 10 2 2 B 13 13 PRO HA H 308 4.395 4.486 -0.091 1
1 1241 . 10 2 2 B 13 13 PRO CA C 308 63.060 63.462 -0.402 1
1 1242 . 10 2 2 B 13 13 PRO CB C 308 31.844 32.027 -0.183 1
1 1245 . 10 2 2 B 14 14 TRP H H 309 8.038 7.586 0.452 1
1 1246 . 10 2 2 B 14 14 TRP HA H 309 4.930 5.089 -0.159 1
1 1255 . 10 2 2 B 14 14 TRP CA C 309 54.944 56.250 -1.306 1
1 1256 . 10 2 2 B 14 14 TRP CB C 309 30.324 33.267 -2.943 1
1 1262 . 10 2 2 B 14 14 TRP N N 309 121.372 120.947 0.425 1
1 1264 . 10 2 2 B 15 15 ARG H H 310 8.827 8.462 0.365 1
1 1265 . 10 2 2 B 15 15 ARG HA H 310 4.336 4.607 -0.271 1
1 1272 . 10 2 2 B 15 15 ARG CA C 310 56.617 55.498 1.119 1
1 1273 . 10 2 2 B 15 15 ARG CB C 310 31.336 29.041 2.295 1
1 1276 . 10 2 2 B 15 15 ARG N N 310 122.043 119.882 2.161 1
1 1277 . 10 2 2 B 16 16 ALA H H 311 8.551 7.935 0.616 1
1 1278 . 10 2 2 B 16 16 ALA HA H 311 4.140 3.976 0.164 1
1 1282 . 10 2 2 B 16 16 ALA CA C 311 54.460 55.160 -0.700 1
1 1283 . 10 2 2 B 16 16 ALA CB C 311 18.884 17.189 1.695 1
1 1284 . 10 2 2 B 16 16 ALA N N 311 120.702 118.440 2.262 1
1 1285 . 10 2 2 B 17 17 THR H H 312 7.286 8.941 -1.655 1
1 1286 . 10 2 2 B 17 17 THR HA H 312 4.219 4.202 0.017 1
1 1291 . 10 2 2 B 17 17 THR CA C 312 60.544 64.417 -3.873 1
1 1292 . 10 2 2 B 17 17 THR CB C 312 68.647 68.623 0.024 1
1 1294 . 10 2 2 B 17 17 THR N N 312 124.807 110.604 14.203 1
1 1295 . 10 2 2 B 18 18 ASN H H 313 7.918 7.839 0.079 1
1 1296 . 10 2 2 B 18 18 ASN HA H 313 4.269 4.973 -0.704 1
1 1301 . 10 2 2 B 18 18 ASN CA C 313 50.640 51.020 -0.380 1
1 1302 . 10 2 2 B 18 18 ASN CB C 313 39.462 39.848 -0.386 1
1 1303 . 10 2 2 B 18 18 ASN N N 313 123.467 121.823 1.644 1
1 1305 . 10 2 2 B 19 19 PRO HA H 314 4.135 4.612 -0.477 1
1 1312 . 10 2 2 B 19 19 PRO CA C 314 63.314 63.665 -0.351 1
1 1313 . 10 2 2 B 19 19 PRO CB C 314 31.336 32.339 -1.003 1
1 1316 . 10 2 2 B 20 20 PHE H H 315 8.568 7.921 0.647 1
1 1317 . 10 2 2 B 20 20 PHE HA H 315 4.144 4.560 -0.416 1
1 1323 . 10 2 2 B 20 20 PHE CA C 315 59.513 57.686 1.827 1
1 1324 . 10 2 2 B 20 20 PHE CB C 315 37.658 40.429 -2.771 1
1 1328 . 10 2 2 B 20 20 PHE N N 315 116.848 119.174 -2.326 1
1 1329 . 10 2 2 B 21 21 LEU H H 316 7.332 8.197 -0.865 1
1 1330 . 10 2 2 B 21 21 LEU HA H 316 4.393 4.294 0.099 1
1 1340 . 10 2 2 B 21 21 LEU CA C 316 55.961 58.024 -2.063 1
1 1341 . 10 2 2 B 21 21 LEU CB C 316 43.017 41.745 1.272 1
1 1345 . 10 2 2 B 21 21 LEU N N 316 120.283 117.495 2.788 1
1 1346 . 10 2 2 B 22 22 ASN H H 317 8.010 8.363 -0.353 1
1 1347 . 10 2 2 B 22 22 ASN HA H 317 4.613 4.952 -0.339 1
1 1352 . 10 2 2 B 22 22 ASN CA C 317 53.224 52.347 0.877 1
1 1353 . 10 2 2 B 22 22 ASN CB C 317 38.714 37.886 0.828 1
1 1354 . 10 2 2 B 22 22 ASN N N 317 117.602 116.843 0.759 1
1 1356 . 10 2 2 B 23 23 GLU H H 318 8.344 8.169 0.175 1
1 1357 . 10 2 2 B 23 23 GLU HA H 318 4.373 4.059 0.314 1
1 1362 . 10 2 2 B 23 23 GLU CA C 318 56.974 59.441 -2.467 1
1 1363 . 10 2 2 B 23 23 GLU CB C 318 30.323 29.058 1.265 1
1 1365 . 10 2 2 B 23 23 GLU N N 318 121.523 120.198 1.325 1
1 1366 . 10 2 2 B 24 24 THR H H 319 8.295 7.906 0.389 1
1 1367 . 10 2 2 B 24 24 THR HA H 319 4.398 4.869 -0.471 1
1 1372 . 10 2 2 B 24 24 THR CA C 319 61.940 63.654 -1.714 1
1 1373 . 10 2 2 B 24 24 THR CB C 319 70.138 69.805 0.333 1
1 1375 . 10 2 2 B 24 24 THR N N 319 115.089 113.804 1.285 1
1 1376 . 10 2 2 B 25 25 LEU H H 320 8.639 8.189 0.450 1
1 1377 . 10 2 2 B 25 25 LEU HA H 320 4.237 4.234 0.003 1
1 1387 . 10 2 2 B 25 25 LEU CA C 320 55.196 57.173 -1.977 1
1 1388 . 10 2 2 B 25 25 LEU CB C 320 40.733 41.742 -1.009 1
1 1392 . 10 2 2 B 25 25 LEU N N 320 122.143 121.175 0.968 1
1 1393 . 10 2 2 B 26 26 GLN H H 321 8.121 8.258 -0.137 1
1 1394 . 10 2 2 B 26 26 GLN HA H 321 4.217 4.419 -0.202 1
1 1401 . 10 2 2 B 26 26 GLN CA C 321 56.987 55.319 1.668 1
1 1402 . 10 2 2 B 26 26 GLN CB C 321 29.309 29.323 -0.014 1
1 1404 . 10 2 2 B 26 26 GLN N N 321 119.864 119.330 0.534 1
1 1406 . 10 2 2 B 27 27 ASP H H 322 8.489 8.630 -0.141 1
1 1407 . 10 2 2 B 27 27 ASP HA H 322 4.656 5.226 -0.570 1
1 1410 . 10 2 2 B 27 27 ASP CA C 322 54.170 53.001 1.169 1
1 1411 . 10 2 2 B 27 27 ASP CB C 322 40.758 44.924 -4.166 1
1 1412 . 10 2 2 B 27 27 ASP N N 322 119.864 120.143 -0.279 1
1 1413 . 10 2 2 B 28 28 VAL H H 323 7.588 8.417 -0.829 1
1 1414 . 10 2 2 B 28 28 VAL HA H 323 4.094 4.747 -0.653 1
1 1422 . 10 2 2 B 28 28 VAL CA C 323 61.797 60.258 1.539 1
1 1423 . 10 2 2 B 28 28 VAL CB C 323 32.915 34.649 -1.734 1
1 1426 . 10 2 2 B 28 28 VAL N N 323 119.446 120.124 -0.678 1
1 1427 . 10 2 2 B 29 29 GLN H H 324 8.451 8.806 -0.355 1
1 1428 . 10 2 2 B 29 29 GLN HA H 324 4.633 5.028 -0.395 1
1 1435 . 10 2 2 B 29 29 GLN CA C 324 53.138 53.078 0.060 1
1 1436 . 10 2 2 B 29 29 GLN CB C 324 28.795 29.245 -0.450 1
1 1438 . 10 2 2 B 29 29 GLN N N 324 125.897 125.282 0.615 1
1 1440 . 10 2 2 B 30 30 PRO HA H 325 4.486 4.849 -0.363 1
1 1447 . 10 2 2 B 30 30 PRO CA C 325 62.553 62.241 0.312 1
1 1448 . 10 2 2 B 30 30 PRO CB C 325 32.316 31.776 0.540 1
1 1451 . 10 2 2 B 31 31 SER H H 326 7.858 8.687 -0.829 1
1 1452 . 10 2 2 B 31 31 SER HA H 326 4.734 4.791 -0.057 1
1 1455 . 10 2 2 B 31 31 SER CA C 326 55.447 57.135 -1.688 1
1 1456 . 10 2 2 B 31 31 SER CB C 326 63.822 63.568 0.254 1
1 1457 . 10 2 2 B 31 31 SER N N 326 115.759 118.473 -2.714 1
1 1458 . 10 2 2 B 32 32 PRO HA H 327 4.554 4.948 -0.394 1
1 1465 . 10 2 2 B 32 32 PRO CA C 327 64.076 63.029 1.047 1
1 1466 . 10 2 2 B 32 32 PRO CB C 327 32.098 30.016 2.082 1
1 1469 . 10 2 2 B 33 33 ILE H H 328 8.233 8.206 0.027 1
1 1470 . 10 2 2 B 33 33 ILE HA H 328 3.829 4.227 -0.398 1
1 1480 . 10 2 2 B 33 33 ILE CA C 328 58.518 61.459 -2.941 1
1 1481 . 10 2 2 B 33 33 ILE CB C 328 36.419 37.731 -1.312 1
1 1485 . 10 2 2 B 33 33 ILE N N 328 121.037 120.999 0.038 1
1 1486 . 10 2 2 B 34 34 ASN H H 329 8.672 7.677 0.995 1
1 1487 . 10 2 2 B 34 34 ASN HA H 329 5.225 4.912 0.313 1
1 1492 . 10 2 2 B 34 34 ASN CA C 329 49.359 51.514 -2.155 1
1 1493 . 10 2 2 B 34 34 ASN CB C 329 38.952 38.876 0.076 1
1 1494 . 10 2 2 B 34 34 ASN N N 329 121.624 121.738 -0.114 1
1 1496 . 10 2 2 B 35 35 PRO HA H 330 4.509 4.373 0.136 1
1 1503 . 10 2 2 B 35 35 PRO CA C 330 62.553 64.366 -1.813 1
1 1504 . 10 2 2 B 35 35 PRO CB C 330 31.844 31.564 0.280 1
1 1507 . 10 2 2 B 36 36 PHE H H 331 7.738 8.263 -0.525 1
1 1508 . 10 2 2 B 36 36 PHE HA H 331 4.836 5.027 -0.191 1
1 1514 . 10 2 2 B 36 36 PHE CA C 331 56.981 57.612 -0.631 1
1 1515 . 10 2 2 B 36 36 PHE CB C 331 39.210 39.106 0.104 1
1 1519 . 10 2 2 B 36 36 PHE N N 331 116.513 114.910 1.603 1
1 1520 . 10 2 2 B 37 37 SER H H 332 7.221 7.825 -0.604 1
1 1521 . 10 2 2 B 37 37 SER HA H 332 4.273 3.930 0.343 1
1 1524 . 10 2 2 B 37 37 SER CA C 332 61.794 61.883 -0.089 1
1 1525 . 10 2 2 B 37 37 SER CB C 332 62.810 62.988 -0.178 1
1 1526 . 10 2 2 B 37 37 SER N N 332 115.256 117.303 -2.047 1
1 1527 . 10 2 2 B 38 38 ALA H H 333 8.551 7.717 0.834 1
1 1528 . 10 2 2 B 38 38 ALA HA H 333 4.308 4.189 0.119 1
1 1532 . 10 2 2 B 38 38 ALA CA C 333 54.464 54.123 0.341 1
1 1533 . 10 2 2 B 38 38 ALA CB C 333 18.148 18.292 -0.144 1
1 1534 . 10 2 2 B 38 38 ALA N N 333 123.216 123.957 -0.741 1
1 1535 . 10 2 2 B 39 39 PHE H H 334 7.842 7.684 0.158 1
1 1536 . 10 2 2 B 39 39 PHE HA H 334 4.165 4.266 -0.101 1
1 1542 . 10 2 2 B 39 39 PHE CA C 334 60.541 61.212 -0.671 1
1 1543 . 10 2 2 B 39 39 PHE CB C 334 38.703 38.688 0.015 1
1 1547 . 10 2 2 B 39 39 PHE N N 334 117.602 116.262 1.340 1
1 1548 . 10 2 2 B 40 40 PHE H H 335 7.668 8.213 -0.545 1
1 1549 . 10 2 2 B 40 40 PHE HA H 335 4.626 4.384 0.242 1
1 1555 . 10 2 2 B 40 40 PHE CA C 335 58.997 61.534 -2.537 1
1 1556 . 10 2 2 B 40 40 PHE CB C 335 39.427 38.183 1.244 1
1 1560 . 10 2 2 B 40 40 PHE N N 335 117.267 118.439 -1.172 1
1 1561 . 10 2 2 B 41 41 GLU H H 336 8.105 8.257 -0.152 1
1 1562 . 10 2 2 B 41 41 GLU HA H 336 4.263 4.315 -0.052 1
1 1567 . 10 2 2 B 41 41 GLU CA C 336 57.653 58.260 -0.607 1
1 1568 . 10 2 2 B 41 41 GLU CB C 336 30.320 30.557 -0.237 1
1 1570 . 10 2 2 B 41 41 GLU N N 336 120.426 121.136 -0.710 1
1 1571 . 10 2 2 B 42 42 GLU H H 337 8.140 8.145 -0.005 1
1 1572 . 10 2 2 B 42 42 GLU HA H 337 4.259 4.600 -0.341 1
1 1577 . 10 2 2 B 42 42 GLU CA C 337 56.969 55.258 1.711 1
1 1578 . 10 2 2 B 42 42 GLU CB C 337 30.018 27.577 2.441 1
1 1580 . 10 2 2 B 42 42 GLU N N 337 120.291 119.645 0.646 1
1 1581 . 10 2 2 B 43 43 GLN H H 338 8.058 8.326 -0.268 1
1 1582 . 10 2 2 B 43 43 GLN HA H 338 4.282 4.261 0.021 1
1 1587 . 10 2 2 B 43 43 GLN CA C 338 56.127 58.202 -2.075 1
1 1588 . 10 2 2 B 43 43 GLN CB C 338 29.560 29.549 0.011 1
1 1590 . 10 2 2 B 43 43 GLN N N 338 119.529 122.833 -3.304 1
1 1591 . 10 2 2 B 44 44 GLU H H 339 8.254 8.238 0.016 1
1 1592 . 10 2 2 B 44 44 GLU HA H 339 4.275 3.977 0.298 1
1 1597 . 10 2 2 B 44 44 GLU CA C 339 56.683 57.283 -0.600 1
1 1598 . 10 2 2 B 44 44 GLU N N 339 121.540 119.166 2.374 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 92 1.291 1
3 1 1 1 "RMS(OBS, PRED)" CB 88 1.188 1
4 1 1 1 "RMS(OBS, PRED)" H 82 0.576 1
5 1 1 1 "RMS(OBS, PRED)" HA 96 0.330 1
6 1 1 1 "RMS(OBS, PRED)" N 81 3.101 1
7 1 1 2 "RMS(OBS, PRED)" C 0 0.000 1
8 1 1 2 "RMS(OBS, PRED)" CA 38 1.400 1
9 1 1 2 "RMS(OBS, PRED)" CB 37 1.596 1
10 1 1 2 "RMS(OBS, PRED)" H 32 0.503 1
11 1 1 2 "RMS(OBS, PRED)" HA 38 0.273 1
12 1 1 2 "RMS(OBS, PRED)" N 32 3.577 1
13 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 2 1 "RMS(OBS, PRED)" CA 92 1.267 1
15 1 2 1 "RMS(OBS, PRED)" CB 88 1.149 1
16 1 2 1 "RMS(OBS, PRED)" H 82 0.577 1
17 1 2 1 "RMS(OBS, PRED)" HA 96 0.316 1
18 1 2 1 "RMS(OBS, PRED)" N 81 2.916 1
19 1 2 2 "RMS(OBS, PRED)" C 0 0.000 1
20 1 2 2 "RMS(OBS, PRED)" CA 38 1.992 1
21 1 2 2 "RMS(OBS, PRED)" CB 37 1.680 1
22 1 2 2 "RMS(OBS, PRED)" H 32 0.678 1
23 1 2 2 "RMS(OBS, PRED)" HA 38 0.314 1
24 1 2 2 "RMS(OBS, PRED)" N 32 3.718 1
25 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 3 1 "RMS(OBS, PRED)" CA 92 1.353 1
27 1 3 1 "RMS(OBS, PRED)" CB 88 1.176 1
28 1 3 1 "RMS(OBS, PRED)" H 82 0.573 1
29 1 3 1 "RMS(OBS, PRED)" HA 96 0.320 1
30 1 3 1 "RMS(OBS, PRED)" N 81 3.115 1
31 1 3 2 "RMS(OBS, PRED)" C 0 0.000 1
32 1 3 2 "RMS(OBS, PRED)" CA 38 1.657 1
33 1 3 2 "RMS(OBS, PRED)" CB 37 1.362 1
34 1 3 2 "RMS(OBS, PRED)" H 32 0.666 1
35 1 3 2 "RMS(OBS, PRED)" HA 38 0.279 1
36 1 3 2 "RMS(OBS, PRED)" N 32 3.584 1
37 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 4 1 "RMS(OBS, PRED)" CA 92 1.366 1
39 1 4 1 "RMS(OBS, PRED)" CB 88 1.143 1
40 1 4 1 "RMS(OBS, PRED)" H 82 0.577 1
41 1 4 1 "RMS(OBS, PRED)" HA 96 0.331 1
42 1 4 1 "RMS(OBS, PRED)" N 81 3.014 1
43 1 4 2 "RMS(OBS, PRED)" C 0 0.000 1
44 1 4 2 "RMS(OBS, PRED)" CA 38 1.591 1
45 1 4 2 "RMS(OBS, PRED)" CB 37 1.760 1
46 1 4 2 "RMS(OBS, PRED)" H 32 0.535 1
47 1 4 2 "RMS(OBS, PRED)" HA 38 0.328 1
48 1 4 2 "RMS(OBS, PRED)" N 32 3.458 1
49 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 5 1 "RMS(OBS, PRED)" CA 92 1.298 1
51 1 5 1 "RMS(OBS, PRED)" CB 88 1.190 1
52 1 5 1 "RMS(OBS, PRED)" H 82 0.551 1
53 1 5 1 "RMS(OBS, PRED)" HA 96 0.331 1
54 1 5 1 "RMS(OBS, PRED)" N 81 2.840 1
55 1 5 2 "RMS(OBS, PRED)" C 0 0.000 1
56 1 5 2 "RMS(OBS, PRED)" CA 38 1.691 1
57 1 5 2 "RMS(OBS, PRED)" CB 37 1.472 1
58 1 5 2 "RMS(OBS, PRED)" H 32 0.604 1
59 1 5 2 "RMS(OBS, PRED)" HA 38 0.269 1
60 1 5 2 "RMS(OBS, PRED)" N 32 3.468 1
61 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 6 1 "RMS(OBS, PRED)" CA 92 1.452 1
63 1 6 1 "RMS(OBS, PRED)" CB 88 1.199 1
64 1 6 1 "RMS(OBS, PRED)" H 82 0.553 1
65 1 6 1 "RMS(OBS, PRED)" HA 96 0.325 1
66 1 6 1 "RMS(OBS, PRED)" N 81 2.738 1
67 1 6 2 "RMS(OBS, PRED)" C 0 0.000 1
68 1 6 2 "RMS(OBS, PRED)" CA 38 1.653 1
69 1 6 2 "RMS(OBS, PRED)" CB 37 1.440 1
70 1 6 2 "RMS(OBS, PRED)" H 32 0.586 1
71 1 6 2 "RMS(OBS, PRED)" HA 38 0.311 1
72 1 6 2 "RMS(OBS, PRED)" N 32 3.712 1
73 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 7 1 "RMS(OBS, PRED)" CA 92 1.307 1
75 1 7 1 "RMS(OBS, PRED)" CB 88 1.138 1
76 1 7 1 "RMS(OBS, PRED)" H 82 0.580 1
77 1 7 1 "RMS(OBS, PRED)" HA 96 0.313 1
78 1 7 1 "RMS(OBS, PRED)" N 81 3.144 1
79 1 7 2 "RMS(OBS, PRED)" C 0 0.000 1
80 1 7 2 "RMS(OBS, PRED)" CA 38 1.654 1
81 1 7 2 "RMS(OBS, PRED)" CB 37 1.398 1
82 1 7 2 "RMS(OBS, PRED)" H 32 0.565 1
83 1 7 2 "RMS(OBS, PRED)" HA 38 0.304 1
84 1 7 2 "RMS(OBS, PRED)" N 32 4.510 1
85 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 8 1 "RMS(OBS, PRED)" CA 92 1.466 1
87 1 8 1 "RMS(OBS, PRED)" CB 88 1.146 1
88 1 8 1 "RMS(OBS, PRED)" H 82 0.638 1
89 1 8 1 "RMS(OBS, PRED)" HA 96 0.329 1
90 1 8 1 "RMS(OBS, PRED)" N 81 3.094 1
91 1 8 2 "RMS(OBS, PRED)" C 0 0.000 1
92 1 8 2 "RMS(OBS, PRED)" CA 38 1.209 1
93 1 8 2 "RMS(OBS, PRED)" CB 37 1.338 1
94 1 8 2 "RMS(OBS, PRED)" H 32 0.601 1
95 1 8 2 "RMS(OBS, PRED)" HA 38 0.274 1
96 1 8 2 "RMS(OBS, PRED)" N 32 3.776 1
97 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 9 1 "RMS(OBS, PRED)" CA 92 1.489 1
99 1 9 1 "RMS(OBS, PRED)" CB 88 1.203 1
100 1 9 1 "RMS(OBS, PRED)" H 82 0.567 1
101 1 9 1 "RMS(OBS, PRED)" HA 96 0.310 1
102 1 9 1 "RMS(OBS, PRED)" N 81 2.916 1
103 1 9 2 "RMS(OBS, PRED)" C 0 0.000 1
104 1 9 2 "RMS(OBS, PRED)" CA 38 1.990 1
105 1 9 2 "RMS(OBS, PRED)" CB 37 1.438 1
106 1 9 2 "RMS(OBS, PRED)" H 32 0.570 1
107 1 9 2 "RMS(OBS, PRED)" HA 38 0.308 1
108 1 9 2 "RMS(OBS, PRED)" N 32 3.961 1
109 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 10 1 "RMS(OBS, PRED)" CA 92 1.330 1
111 1 10 1 "RMS(OBS, PRED)" CB 88 1.203 1
112 1 10 1 "RMS(OBS, PRED)" H 82 0.601 1
113 1 10 1 "RMS(OBS, PRED)" HA 96 0.325 1
114 1 10 1 "RMS(OBS, PRED)" N 81 2.982 1
115 1 10 2 "RMS(OBS, PRED)" C 0 0.000 1
116 1 10 2 "RMS(OBS, PRED)" CA 38 1.599 1
117 1 10 2 "RMS(OBS, PRED)" CB 37 1.462 1
118 1 10 2 "RMS(OBS, PRED)" H 32 0.579 1
119 1 10 2 "RMS(OBS, PRED)" HA 38 0.330 1
120 1 10 2 "RMS(OBS, PRED)" N 32 3.114 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 51 . 1 1 A 7 7 TRP H H 122 8.903 8.570 0.333 2
1 68 . 1 1 A 7 7 TRP N N 122 123.342 124.512 -1.170 2
1 129 . 1 1 A 13 13 ASP H H 128 6.907 8.367 -1.460 2
1 135 . 1 1 A 13 13 ASP N N 128 120.880 118.888 1.992 2
1 194 . 1 1 A 19 19 ALA H H 134 7.360 7.794 -0.434 2
1 201 . 1 1 A 19 19 ALA N N 134 120.666 121.580 -0.914 2
1 307 . 1 1 A 29 29 GLY HA2 H 144 3.582 3.728 -0.146 2
1 308 . 1 1 A 29 29 GLY HA3 H 144 3.976 3.934 0.042 2
1 311 . 1 1 A 30 30 PHE H H 145 7.749 8.263 -0.514 2
1 323 . 1 1 A 30 30 PHE N N 145 115.206 118.353 -3.147 2
1 341 . 1 1 A 32 32 SER H H 147 7.822 8.530 -0.708 2
1 347 . 1 1 A 32 32 SER N N 147 116.938 115.713 1.225 2
1 349 . 1 1 A 33 33 GLY HA2 H 148 3.689 3.483 0.206 2
1 350 . 1 1 A 33 33 GLY HA3 H 148 3.690 3.594 0.096 2
1 360 . 1 1 A 35 35 LYS H H 150 7.453 7.661 -0.208 2
1 375 . 1 1 A 35 35 LYS N N 150 117.347 118.389 -1.043 2
1 485 . 1 1 A 44 44 LYS CB C 159 29.341 32.468 -3.127 2
1 490 . 1 1 A 45 45 LEU H H 160 7.287 7.215 0.071 2
1 491 . 1 1 A 45 45 LEU HA H 160 4.421 4.386 0.035 2
1 501 . 1 1 A 45 45 LEU CA C 160 53.183 53.229 -0.046 2
1 502 . 1 1 A 45 45 LEU CB C 160 41.508 41.638 -0.130 2
1 506 . 1 1 A 45 45 LEU N N 160 121.094 122.639 -1.545 2
1 507 . 1 1 A 46 46 PRO HA H 161 4.493 4.639 -0.146 2
1 514 . 1 1 A 46 46 PRO CA C 161 62.065 62.362 -0.297 2
1 515 . 1 1 A 46 46 PRO CB C 161 32.879 32.903 -0.024 2
1 518 . 1 1 A 47 47 VAL H H 162 8.112 8.643 -0.531 2
1 519 . 1 1 A 47 47 VAL HA H 162 3.437 3.749 -0.312 2
1 527 . 1 1 A 47 47 VAL CA C 162 66.634 64.984 1.650 2
1 528 . 1 1 A 47 47 VAL CB C 162 28.508 31.554 -3.046 2
1 531 . 1 1 A 47 47 VAL N N 162 121.522 121.704 -0.182 2
1 532 . 1 1 A 48 48 ASP H H 163 8.753 8.338 0.415 2
1 533 . 1 1 A 48 48 ASP HA H 163 4.582 4.324 0.258 2
1 536 . 1 1 A 48 48 ASP CA C 163 56.990 57.440 -0.450 2
1 537 . 1 1 A 48 48 ASP CB C 163 40.239 40.883 -0.644 2
1 538 . 1 1 A 48 48 ASP N N 163 117.454 120.790 -3.336 2
1 539 . 1 1 A 49 49 ILE H H 164 7.051 7.605 -0.554 2
1 540 . 1 1 A 49 49 ILE HA H 164 3.802 3.861 -0.059 2
1 550 . 1 1 A 49 49 ILE CA C 164 63.081 64.348 -1.267 2
1 551 . 1 1 A 49 49 ILE CB C 164 36.940 37.461 -0.521 2
1 555 . 1 1 A 49 49 ILE N N 164 119.167 117.605 1.562 2
1 556 . 1 1 A 50 50 LEU H H 165 7.626 8.197 -0.571 2
1 557 . 1 1 A 50 50 LEU HA H 165 3.447 4.067 -0.620 2
1 567 . 1 1 A 50 50 LEU CA C 165 57.751 58.295 -0.544 2
1 568 . 1 1 A 50 50 LEU CB C 165 40.239 41.685 -1.446 2
1 572 . 1 1 A 50 50 LEU N N 165 119.274 122.208 -2.934 2
1 573 . 1 1 A 51 51 GLY H H 166 8.744 8.640 0.104 2
1 574 . 1 1 A 51 51 GLY HA2 H 166 3.480 3.774 -0.294 2
1 575 . 1 1 A 51 51 GLY HA3 H 166 2.888 3.811 -0.923 2
1 576 . 1 1 A 51 51 GLY CA C 166 46.584 47.249 -0.665 2
1 577 . 1 1 A 51 51 GLY N N 166 104.501 106.371 -1.870 2
1 578 . 1 1 A 52 52 ARG H H 167 7.189 7.902 -0.713 2
1 579 . 1 1 A 52 52 ARG HA H 167 3.977 4.131 -0.154 2
1 586 . 1 1 A 52 52 ARG CA C 167 59.527 59.355 0.172 2
1 587 . 1 1 A 52 52 ARG CB C 167 29.834 29.965 -0.131 2
1 590 . 1 1 A 52 52 ARG N N 167 122.700 122.140 0.560 2
1 591 . 1 1 A 53 53 VAL H H 168 8.411 8.343 0.068 2
1 592 . 1 1 A 53 53 VAL HA H 168 3.390 3.677 -0.287 2
1 600 . 1 1 A 53 53 VAL CA C 168 67.395 66.611 0.784 2
1 601 . 1 1 A 53 53 VAL CB C 168 31.103 31.666 -0.563 2
1 604 . 1 1 A 53 53 VAL N N 168 119.596 119.600 -0.004 2
1 605 . 1 1 A 54 54 TRP H H 169 8.573 8.560 0.013 2
1 606 . 1 1 A 54 54 TRP HA H 169 3.738 4.262 -0.524 2
1 615 . 1 1 A 54 54 TRP CA C 169 61.812 61.127 0.685 2
1 616 . 1 1 A 54 54 TRP CB C 169 27.550 29.742 -2.192 2
1 622 . 1 1 A 54 54 TRP N N 169 121.308 121.245 0.063 2
1 624 . 1 1 A 55 55 GLU H H 170 7.783 8.608 -0.825 2
1 625 . 1 1 A 55 55 GLU HA H 170 4.030 4.154 -0.124 2
1 630 . 1 1 A 55 55 GLU CA C 170 59.020 59.224 -0.204 2
1 631 . 1 1 A 55 55 GLU CB C 170 30.088 29.495 0.593 2
1 633 . 1 1 A 55 55 GLU N N 170 116.384 119.407 -3.023 2
1 634 . 1 1 A 56 56 LEU H H 171 8.005 7.938 0.067 2
1 635 . 1 1 A 56 56 LEU HA H 171 4.003 4.213 -0.210 2
1 645 . 1 1 A 56 56 LEU CA C 171 56.736 57.377 -0.641 2
1 646 . 1 1 A 56 56 LEU CB C 171 43.539 42.058 1.481 2
1 650 . 1 1 A 56 56 LEU N N 171 115.771 120.897 -5.125 2
1 651 . 1 1 A 57 57 SER H H 172 7.501 8.722 -1.221 2
1 652 . 1 1 A 57 57 SER HA H 172 4.154 4.292 -0.138 2
1 655 . 1 1 A 57 57 SER CA C 172 61.812 61.270 0.542 2
1 656 . 1 1 A 57 57 SER CB C 172 63.588 62.842 0.746 2
1 657 . 1 1 A 57 57 SER N N 172 112.209 113.921 -1.712 2
1 658 . 1 1 A 58 58 ASP H H 173 7.592 7.620 -0.028 2
1 659 . 1 1 A 58 58 ASP HA H 173 4.550 4.464 0.086 2
1 662 . 1 1 A 58 58 ASP CA C 173 51.914 53.193 -1.279 2
1 663 . 1 1 A 58 58 ASP CB C 173 36.940 39.715 -2.775 2
1 664 . 1 1 A 58 58 ASP N N 173 117.133 120.495 -3.362 2
1 665 . 1 1 A 59 59 ILE H H 174 8.078 7.833 0.245 2
1 666 . 1 1 A 59 59 ILE HA H 174 3.354 3.725 -0.371 2
1 676 . 1 1 A 59 59 ILE CA C 174 64.857 65.091 -0.234 2
1 677 . 1 1 A 59 59 ILE CB C 174 39.985 37.876 2.109 2
1 681 . 1 1 A 59 59 ILE N N 174 128.160 125.382 2.778 2
1 682 . 1 1 A 60 60 ASP H H 175 7.795 8.091 -0.296 2
1 683 . 1 1 A 60 60 ASP HA H 175 4.361 4.558 -0.197 2
1 686 . 1 1 A 60 60 ASP CA C 175 52.167 53.341 -1.174 2
1 687 . 1 1 A 60 60 ASP CB C 175 39.732 40.254 -0.521 2
1 688 . 1 1 A 60 60 ASP N N 175 113.493 117.582 -4.089 2
1 689 . 1 1 A 61 61 HIS H H 176 7.521 7.961 -0.440 2
1 690 . 1 1 A 61 61 HIS HA H 176 4.236 4.650 -0.414 2
1 694 . 1 1 A 61 61 HIS CA C 176 56.228 56.825 -0.597 2
1 695 . 1 1 A 61 61 HIS CB C 176 26.534 26.901 -0.367 2
1 697 . 1 1 A 61 61 HIS N N 176 112.637 114.853 -2.216 2
1 698 . 1 1 A 62 62 ASP H H 177 8.547 8.091 0.456 2
1 699 . 1 1 A 62 62 ASP HA H 177 4.769 4.472 0.297 2
1 702 . 1 1 A 62 62 ASP CA C 177 53.436 53.430 0.006 2
1 703 . 1 1 A 62 62 ASP CB C 177 40.747 40.314 0.433 2
1 704 . 1 1 A 62 62 ASP N N 177 118.739 119.386 -0.647 2
1 705 . 1 1 A 63 63 GLY H H 178 10.793 9.004 1.789 2
1 706 . 1 1 A 63 63 GLY HA2 H 178 4.398 4.057 0.341 2
1 707 . 1 1 A 63 63 GLY HA3 H 178 3.946 4.198 -0.252 2
1 708 . 1 1 A 63 63 GLY CA C 178 46.330 45.615 0.715 2
1 709 . 1 1 A 63 63 GLY N N 178 112.958 111.119 1.839 2
1 710 . 1 1 A 64 64 MET H H 179 8.337 7.857 0.480 2
1 711 . 1 1 A 64 64 MET HA H 179 5.360 5.138 0.222 2
1 719 . 1 1 A 64 64 MET CA C 179 52.929 54.240 -1.311 2
1 720 . 1 1 A 64 64 MET CB C 179 36.432 37.487 -1.055 2
1 722 . 1 1 A 64 64 MET N N 179 118.525 119.535 -1.010 2
1 723 . 1 1 A 65 65 LEU H H 180 9.471 9.766 -0.295 2
1 724 . 1 1 A 65 65 LEU HA H 180 5.838 5.045 0.793 2
1 734 . 1 1 A 65 65 LEU CA C 180 53.436 53.648 -0.212 2
1 735 . 1 1 A 65 65 LEU CB C 180 43.285 43.048 0.237 2
1 739 . 1 1 A 65 65 LEU N N 180 120.987 122.709 -1.722 2
1 740 . 1 1 A 66 66 ASP H H 181 9.203 8.844 0.359 2
1 741 . 1 1 A 66 66 ASP HA H 181 5.378 4.664 0.714 2
1 744 . 1 1 A 66 66 ASP CA C 181 51.914 53.076 -1.162 2
1 745 . 1 1 A 66 66 ASP CB C 181 40.493 41.360 -0.867 2
1 746 . 1 1 A 66 66 ASP N N 181 124.306 125.542 -1.236 2
1 747 . 1 1 A 67 67 ARG H H 182 8.130 8.341 -0.210 2
1 748 . 1 1 A 67 67 ARG HA H 182 2.758 3.144 -0.386 2
1 755 . 1 1 A 67 67 ARG CA C 182 60.543 59.401 1.142 2
1 756 . 1 1 A 67 67 ARG CB C 182 30.595 29.534 1.061 2
1 759 . 1 1 A 67 67 ARG N N 182 117.454 124.136 -6.682 2
1 760 . 1 1 A 68 68 ASP H H 183 7.871 8.412 -0.541 2
1 761 . 1 1 A 68 68 ASP HA H 183 4.748 4.666 0.082 2
1 764 . 1 1 A 68 68 ASP CA C 183 57.497 56.950 0.547 2
1 765 . 1 1 A 68 68 ASP CB C 183 40.747 40.499 0.248 2
1 766 . 1 1 A 68 68 ASP N N 183 119.703 119.382 0.321 2
1 767 . 1 1 A 69 69 GLU H H 184 8.775 8.258 0.517 2
1 768 . 1 1 A 69 69 GLU HA H 184 3.975 4.141 -0.166 2
1 773 . 1 1 A 69 69 GLU CA C 184 59.781 59.446 0.335 2
1 774 . 1 1 A 69 69 GLU CB C 184 31.762 29.569 2.193 2
1 776 . 1 1 A 69 69 GLU N N 184 120.987 120.665 0.322 2
1 777 . 1 1 A 70 70 PHE H H 185 9.331 9.030 0.301 2
1 778 . 1 1 A 70 70 PHE HA H 185 4.198 4.164 0.034 2
1 784 . 1 1 A 70 70 PHE CA C 185 61.812 61.653 0.159 2
1 785 . 1 1 A 70 70 PHE CB C 185 39.957 38.921 1.036 2
1 788 . 1 1 A 70 70 PHE N N 185 118.632 121.967 -3.335 2
1 789 . 1 1 A 71 71 ALA H H 186 7.622 8.232 -0.610 2
1 790 . 1 1 A 71 71 ALA HA H 186 3.991 4.119 -0.128 2
1 794 . 1 1 A 71 71 ALA CA C 186 55.213 55.250 -0.037 2
1 795 . 1 1 A 71 71 ALA CB C 186 18.921 18.249 0.672 2
1 796 . 1 1 A 71 71 ALA N N 186 120.131 121.334 -1.203 2
1 797 . 1 1 A 72 72 VAL H H 187 7.670 8.112 -0.442 2
1 798 . 1 1 A 72 72 VAL HA H 187 3.438 3.444 -0.006 2
1 806 . 1 1 A 72 72 VAL CA C 187 67.617 66.676 0.941 2
1 807 . 1 1 A 72 72 VAL CB C 187 31.357 31.657 -0.300 2
1 810 . 1 1 A 72 72 VAL N N 187 117.776 119.180 -1.404 2
1 811 . 1 1 A 73 73 ALA H H 188 8.040 8.202 -0.162 2
1 812 . 1 1 A 73 73 ALA HA H 188 3.892 4.030 -0.138 2
1 816 . 1 1 A 73 73 ALA CA C 188 55.974 55.557 0.417 2
1 817 . 1 1 A 73 73 ALA CB C 188 16.637 18.542 -1.905 2
1 818 . 1 1 A 73 73 ALA N N 188 122.058 121.842 0.216 2
1 819 . 1 1 A 74 74 MET H H 189 7.908 8.129 -0.221 2
1 820 . 1 1 A 74 74 MET HA H 189 3.900 3.853 0.047 2
1 828 . 1 1 A 74 74 MET CA C 189 55.974 58.136 -2.162 2
1 829 . 1 1 A 74 74 MET CB C 189 29.072 31.201 -2.129 2
1 832 . 1 1 A 74 74 MET N N 189 114.029 116.962 -2.933 2
1 833 . 1 1 A 75 75 PHE H H 190 8.298 7.784 0.514 2
1 834 . 1 1 A 75 75 PHE HA H 190 4.245 4.392 -0.147 2
1 840 . 1 1 A 75 75 PHE CA C 190 61.812 61.330 0.482 2
1 841 . 1 1 A 75 75 PHE CB C 190 39.732 39.295 0.437 2
1 844 . 1 1 A 75 75 PHE N N 190 121.174 122.031 -0.857 2
1 845 . 1 1 A 76 76 LEU H H 191 8.761 8.104 0.657 2
1 846 . 1 1 A 76 76 LEU HA H 191 3.987 3.954 0.033 2
1 856 . 1 1 A 76 76 LEU CA C 191 58.005 57.484 0.521 2
1 857 . 1 1 A 76 76 LEU CB C 191 43.792 41.417 2.375 2
1 859 . 1 1 A 76 76 LEU N N 191 119.596 119.551 0.045 2
1 860 . 1 1 A 77 77 VAL H H 192 8.392 7.766 0.626 2
1 861 . 1 1 A 77 77 VAL HA H 192 3.205 3.511 -0.306 2
1 869 . 1 1 A 77 77 VAL CA C 192 67.395 66.212 1.183 2
1 870 . 1 1 A 77 77 VAL CB C 192 30.595 31.628 -1.033 2
1 873 . 1 1 A 77 77 VAL N N 192 120.773 119.397 1.376 2
1 874 . 1 1 A 78 78 TYR H H 193 8.617 7.913 0.704 2
1 875 . 1 1 A 78 78 TYR HA H 193 3.916 4.282 -0.366 2
1 880 . 1 1 A 78 78 TYR CA C 193 64.350 60.538 3.812 2
1 881 . 1 1 A 78 78 TYR CB C 193 36.940 37.312 -0.372 2
1 884 . 1 1 A 78 78 TYR N N 193 118.418 118.385 0.033 2
1 885 . 1 1 A 79 79 CYS H H 194 7.979 7.947 0.032 2
1 886 . 1 1 A 79 79 CYS HA H 194 3.980 3.868 0.112 2
1 889 . 1 1 A 79 79 CYS CA C 194 63.842 62.136 1.706 2
1 890 . 1 1 A 79 79 CYS CB C 194 25.773 26.631 -0.858 2
1 891 . 1 1 A 79 79 CYS N N 194 117.133 118.497 -1.364 2
1 892 . 1 1 A 80 80 ALA H H 195 7.979 7.521 0.458 2
1 893 . 1 1 A 80 80 ALA HA H 195 4.372 4.094 0.278 2
1 897 . 1 1 A 80 80 ALA CA C 195 54.959 54.943 0.016 2
1 898 . 1 1 A 80 80 ALA CB C 195 17.906 18.382 -0.476 2
1 899 . 1 1 A 80 80 ALA N N 195 123.128 122.926 0.202 2
1 900 . 1 1 A 81 81 LEU H H 196 8.620 7.936 0.684 2
1 901 . 1 1 A 81 81 LEU HA H 196 3.957 3.987 -0.030 2
1 911 . 1 1 A 81 81 LEU CA C 196 57.497 57.673 -0.176 2
1 912 . 1 1 A 81 81 LEU CB C 196 40.747 41.356 -0.609 2
1 916 . 1 1 A 81 81 LEU N N 196 123.021 119.644 3.377 2
1 917 . 1 1 A 82 82 GLU H H 197 7.483 8.211 -0.728 2
1 918 . 1 1 A 82 82 GLU HA H 197 4.497 4.282 0.215 2
1 923 . 1 1 A 82 82 GLU CA C 197 56.418 55.917 0.501 2
1 924 . 1 1 A 82 82 GLU CB C 197 28.819 28.982 -0.163 2
1 926 . 1 1 A 82 82 GLU N N 197 118.311 116.436 1.875 2
1 927 . 1 1 A 83 83 LYS H H 198 7.832 7.697 0.135 2
1 928 . 1 1 A 83 83 LYS HA H 198 3.805 3.835 -0.030 2
1 937 . 1 1 A 83 83 LYS CA C 198 57.497 57.385 0.112 2
1 938 . 1 1 A 83 83 LYS CB C 198 28.057 29.323 -1.266 2
1 942 . 1 1 A 83 83 LYS N N 198 111.674 115.574 -3.900 2
1 943 . 1 1 A 84 84 GLU H H 199 8.098 8.010 0.088 2
1 944 . 1 1 A 84 84 GLU HA H 199 4.635 4.657 -0.022 2
1 949 . 1 1 A 84 84 GLU CA C 199 53.944 53.568 0.376 2
1 950 . 1 1 A 84 84 GLU CB C 199 29.580 30.653 -1.073 2
1 952 . 1 1 A 84 84 GLU N N 199 121.737 119.251 2.486 2
1 953 . 1 1 A 85 85 PRO HA H 200 4.344 4.473 -0.129 2
1 960 . 1 1 A 85 85 PRO CA C 200 62.065 63.105 -1.040 2
1 961 . 1 1 A 85 85 PRO CB C 200 32.118 32.100 0.018 2
1 964 . 1 1 A 86 86 VAL H H 201 8.534 8.422 0.112 2
1 965 . 1 1 A 86 86 VAL HA H 201 4.275 4.493 -0.218 2
1 973 . 1 1 A 86 86 VAL CA C 201 60.035 59.305 0.730 2
1 974 . 1 1 A 86 86 VAL CB C 201 32.118 32.595 -0.477 2
1 977 . 1 1 A 86 86 VAL N N 201 125.055 122.151 2.904 2
1 978 . 1 1 A 87 87 PRO HA H 202 4.571 4.736 -0.165 2
1 985 . 1 1 A 87 87 PRO CA C 202 62.827 62.710 0.117 2
1 986 . 1 1 A 87 87 PRO CB C 202 32.879 32.885 -0.006 2
1 989 . 1 1 A 88 88 MET H H 203 8.536 8.721 -0.185 2
1 990 . 1 1 A 88 88 MET HA H 203 4.437 4.560 -0.123 2
1 998 . 1 1 A 88 88 MET CA C 203 55.974 55.766 0.208 2
1 999 . 1 1 A 88 88 MET CB C 203 32.372 33.058 -0.686 2
1 1001 . 1 1 A 88 88 MET N N 203 114.671 118.975 -4.304 2
1 1002 . 1 1 A 89 89 SER H H 204 7.588 7.731 -0.143 2
1 1003 . 1 1 A 89 89 SER HA H 204 4.482 4.885 -0.403 2
1 1006 . 1 1 A 89 89 SER CA C 204 56.482 56.964 -0.482 2
1 1007 . 1 1 A 89 89 SER CB C 204 65.111 65.669 -0.558 2
1 1008 . 1 1 A 89 89 SER N N 204 110.603 115.164 -4.561 2
1 1009 . 1 1 A 90 90 LEU H H 205 9.188 8.394 0.794 2
1 1010 . 1 1 A 90 90 LEU HA H 205 4.314 4.516 -0.202 2
1 1020 . 1 1 A 90 90 LEU CA C 205 53.436 52.852 0.584 2
1 1021 . 1 1 A 90 90 LEU CB C 205 41.785 42.911 -1.126 2
1 1024 . 1 1 A 90 90 LEU N N 205 124.627 126.093 -1.466 2
1 1025 . 1 1 A 91 91 PRO HA H 206 4.794 4.722 0.072 2
1 1032 . 1 1 A 91 91 PRO CA C 206 61.304 62.224 -0.919 2
1 1033 . 1 1 A 91 91 PRO CB C 206 31.116 31.721 -0.605 2
1 1036 . 1 1 A 92 92 PRO HA H 207 4.221 4.311 -0.090 2
1 1043 . 1 1 A 92 92 PRO CA C 207 66.057 64.930 1.127 2
1 1044 . 1 1 A 92 92 PRO CB C 207 31.889 31.813 0.076 2
1 1047 . 1 1 A 93 93 ALA H H 208 8.509 8.181 0.329 2
1 1048 . 1 1 A 93 93 ALA HA H 208 4.181 4.179 0.002 2
1 1052 . 1 1 A 93 93 ALA CA C 208 54.198 54.383 -0.185 2
1 1053 . 1 1 A 93 93 ALA CB C 208 18.413 18.415 -0.002 2
1 1054 . 1 1 A 93 93 ALA N N 208 115.742 120.096 -4.354 2
1 1055 . 1 1 A 94 94 LEU H H 209 8.225 7.996 0.229 2
1 1056 . 1 1 A 94 94 LEU HA H 209 4.341 4.496 -0.155 2
1 1066 . 1 1 A 94 94 LEU CA C 209 54.452 54.026 0.426 2
1 1067 . 1 1 A 94 94 LEU CB C 209 43.285 42.136 1.149 2
1 1071 . 1 1 A 94 94 LEU N N 209 118.204 111.745 6.459 2
1 1072 . 1 1 A 95 95 VAL H H 210 7.400 7.575 -0.175 2
1 1073 . 1 1 A 95 95 VAL HA H 210 3.762 4.541 -0.779 2
1 1081 . 1 1 A 95 95 VAL CA C 210 61.812 60.084 1.728 2
1 1082 . 1 1 A 95 95 VAL CB C 210 32.118 32.784 -0.666 2
1 1085 . 1 1 A 95 95 VAL N N 210 123.021 121.624 1.397 2
1 1089 . 1 1 A 97 97 PRO HA H 212 3.641 4.162 -0.521 2
1 1096 . 1 1 A 97 97 PRO CA C 212 66.126 65.315 0.811 2
1 1097 . 1 1 A 97 97 PRO CB C 212 31.864 31.789 0.075 2
1 1100 . 1 1 A 98 98 SER H H 213 8.243 8.021 0.222 2
1 1101 . 1 1 A 98 98 SER HA H 213 4.124 4.188 -0.064 2
1 1104 . 1 1 A 98 98 SER CA C 213 59.781 60.554 -0.773 2
1 1105 . 1 1 A 98 98 SER CB C 213 62.573 62.922 -0.349 2
1 1106 . 1 1 A 98 98 SER N N 213 110.924 111.995 -1.071 2
1 1107 . 1 1 A 99 99 LYS H H 214 8.125 7.839 0.286 2
1 1108 . 1 1 A 99 99 LYS HA H 214 4.563 4.469 0.094 2
1 1117 . 1 1 A 99 99 LYS CA C 214 54.198 55.517 -1.319 2
1 1118 . 1 1 A 99 99 LYS CB C 214 32.879 32.436 0.443 2
1 1122 . 1 1 A 99 99 LYS N N 214 120.024 117.676 2.348 2
1 1180 . 2 2 B 7 7 SER HA H 302 4.483 4.940 -0.457 2
1 1183 . 2 2 B 7 7 SER CA C 302 58.429 58.185 0.244 2
1 1184 . 2 2 B 7 7 SER CB C 302 63.758 46.610 17.148 2
1 1185 . 2 2 B 8 8 VAL H H 303 8.238 8.184 0.054 2
1 1186 . 2 2 B 8 8 VAL HA H 303 4.252 4.000 0.252 2
1 1194 . 2 2 B 8 8 VAL CA C 303 62.311 58.388 3.923 2
1 1195 . 2 2 B 8 8 VAL CB C 303 32.824 25.394 7.430 2
1 1198 . 2 2 B 8 8 VAL N N 303 121.875 125.531 -3.656 2
1 1199 . 2 2 B 9 9 THR H H 304 8.221 7.254 0.967 2
1 1200 . 2 2 B 9 9 THR HA H 304 4.369 3.887 0.482 2
1 1205 . 2 2 B 9 9 THR CA C 304 61.795 62.902 -1.107 2
1 1206 . 2 2 B 9 9 THR CB C 304 69.666 49.241 20.425 2
1 1208 . 2 2 B 9 9 THR N N 304 117.435 116.661 0.774 2
1 1209 . 2 2 B 10 10 GLU H H 305 8.342 8.063 0.279 2
1 1210 . 2 2 B 10 10 GLU HA H 305 4.292 4.443 -0.151 2
1 1215 . 2 2 B 10 10 GLU CA C 305 56.488 55.298 1.190 2
1 1216 . 2 2 B 10 10 GLU CB C 305 30.344 31.609 -1.265 2
1 1218 . 2 2 B 10 10 GLU N N 305 123.467 123.775 -0.308 2
1 1219 . 2 2 B 11 11 ALA H H 306 8.299 8.482 -0.183 2
1 1220 . 2 2 B 11 11 ALA HA H 306 4.330 4.457 -0.127 2
1 1224 . 2 2 B 11 11 ALA CA C 306 52.164 58.574 -6.410 2
1 1225 . 2 2 B 11 11 ALA CB C 306 19.377 25.728 -6.351 2
1 1226 . 2 2 B 11 11 ALA N N 306 124.975 126.853 -1.878 2
1 1227 . 2 2 B 12 12 SER H H 307 8.304 8.066 0.238 2
1 1228 . 2 2 B 12 12 SER HA H 307 4.628 4.394 0.234 2
1 1231 . 2 2 B 12 12 SER CA C 307 56.214 59.018 -2.804 2
1 1232 . 2 2 B 12 12 SER CB C 307 63.419 46.349 17.070 2
1 1233 . 2 2 B 12 12 SER N N 307 116.597 115.886 0.711 2
1 1234 . 2 2 B 13 13 PRO HA H 308 4.395 4.308 0.087 2
1 1241 . 2 2 B 13 13 PRO CA C 308 63.060 59.739 3.321 2
1 1242 . 2 2 B 13 13 PRO CB C 308 31.844 35.727 -3.883 2
1 1245 . 2 2 B 14 14 TRP H H 309 8.038 8.177 -0.139 2
1 1246 . 2 2 B 14 14 TRP HA H 309 4.930 4.511 0.419 2
1 1255 . 2 2 B 14 14 TRP CA C 309 54.944 57.919 -2.975 2
1 1256 . 2 2 B 14 14 TRP CB C 309 30.324 32.418 -2.094 2
1 1262 . 2 2 B 14 14 TRP N N 309 121.372 121.816 -0.444 2
1 1264 . 2 2 B 15 15 ARG H H 310 8.827 8.562 0.265 2
1 1265 . 2 2 B 15 15 ARG HA H 310 4.336 4.301 0.035 2
1 1272 . 2 2 B 15 15 ARG CA C 310 56.617 55.264 1.353 2
1 1273 . 2 2 B 15 15 ARG CB C 310 31.336 23.972 7.364 2
1 1276 . 2 2 B 15 15 ARG N N 310 122.043 120.547 1.496 2
1 1277 . 2 2 B 16 16 ALA H H 311 8.551 7.896 0.655 2
1 1278 . 2 2 B 16 16 ALA HA H 311 4.140 4.065 0.075 2
1 1282 . 2 2 B 16 16 ALA CA C 311 54.460 57.081 -2.621 2
1 1283 . 2 2 B 16 16 ALA CB C 311 18.884 24.570 -5.686 2
1 1284 . 2 2 B 16 16 ALA N N 311 120.702 119.193 1.509 2
1 1285 . 2 2 B 17 17 THR H H 312 7.286 8.503 -1.217 2
1 1286 . 2 2 B 17 17 THR HA H 312 4.219 4.335 -0.116 2
1 1291 . 2 2 B 17 17 THR CA C 312 60.544 62.602 -2.058 2
1 1292 . 2 2 B 17 17 THR CB C 312 68.647 53.270 15.377 2
1 1294 . 2 2 B 17 17 THR N N 312 124.807 114.442 10.365 2
1 1295 . 2 2 B 18 18 ASN H H 313 7.918 8.404 -0.486 2
1 1296 . 2 2 B 18 18 ASN HA H 313 4.269 4.788 -0.519 2
1 1301 . 2 2 B 18 18 ASN CA C 313 50.640 53.990 -3.350 2
1 1302 . 2 2 B 18 18 ASN CB C 313 39.462 40.687 -1.225 2
1 1303 . 2 2 B 18 18 ASN N N 313 123.467 121.514 1.953 2
1 1305 . 2 2 B 19 19 PRO HA H 314 4.135 4.290 -0.155 2
1 1312 . 2 2 B 19 19 PRO CA C 314 63.314 59.383 3.930 2
1 1313 . 2 2 B 19 19 PRO CB C 314 31.336 25.449 5.887 2
1 1316 . 2 2 B 20 20 PHE H H 315 8.568 7.937 0.631 2
1 1317 . 2 2 B 20 20 PHE HA H 315 4.144 4.242 -0.098 2
1 1323 . 2 2 B 20 20 PHE CA C 315 59.513 61.174 -1.661 2
1 1324 . 2 2 B 20 20 PHE CB C 315 37.658 39.028 -1.370 2
1 1328 . 2 2 B 20 20 PHE N N 315 116.848 117.766 -0.918 2
1 1329 . 2 2 B 21 21 LEU H H 316 7.332 8.385 -1.053 2
1 1330 . 2 2 B 21 21 LEU HA H 316 4.393 4.142 0.251 2
1 1340 . 2 2 B 21 21 LEU CA C 316 55.961 59.850 -3.889 2
1 1341 . 2 2 B 21 21 LEU CB C 316 43.017 40.526 2.491 2
1 1345 . 2 2 B 21 21 LEU N N 316 120.283 120.424 -0.141 2
1 1346 . 2 2 B 22 22 ASN H H 317 8.010 8.546 -0.536 2
1 1347 . 2 2 B 22 22 ASN HA H 317 4.613 4.672 -0.059 2
1 1352 . 2 2 B 22 22 ASN CA C 317 53.224 55.157 -1.933 2
1 1353 . 2 2 B 22 22 ASN CB C 317 38.714 39.612 -0.898 2
1 1354 . 2 2 B 22 22 ASN N N 317 117.602 118.548 -0.946 2
1 1356 . 2 2 B 23 23 GLU H H 318 8.344 8.027 0.317 2
1 1357 . 2 2 B 23 23 GLU HA H 318 4.373 4.307 0.066 2
1 1362 . 2 2 B 23 23 GLU CA C 318 56.974 59.285 -2.311 2
1 1363 . 2 2 B 23 23 GLU CB C 318 30.323 46.315 -15.992 2
1 1365 . 2 2 B 23 23 GLU N N 318 121.523 116.811 4.712 2
1 1366 . 2 2 B 24 24 THR H H 319 8.295 7.754 0.541 2
1 1367 . 2 2 B 24 24 THR HA H 319 4.398 4.281 0.117 2
1 1372 . 2 2 B 24 24 THR CA C 319 61.940 59.308 2.632 2
1 1373 . 2 2 B 24 24 THR CB C 319 70.138 55.001 15.137 2
1 1375 . 2 2 B 24 24 THR N N 319 115.089 116.122 -1.033 2
1 1376 . 2 2 B 25 25 LEU H H 320 8.639 7.916 0.723 2
1 1377 . 2 2 B 25 25 LEU HA H 320 4.237 4.279 -0.042 2
1 1387 . 2 2 B 25 25 LEU CA C 320 55.196 57.260 -2.064 2
1 1388 . 2 2 B 25 25 LEU CB C 320 40.733 52.082 -11.349 2
1 1392 . 2 2 B 25 25 LEU N N 320 122.143 116.175 5.968 2
1 1393 . 2 2 B 26 26 GLN H H 321 8.121 7.874 0.247 2
1 1394 . 2 2 B 26 26 GLN HA H 321 4.217 4.448 -0.231 2
1 1401 . 2 2 B 26 26 GLN CA C 321 56.987 59.175 -2.188 2
1 1402 . 2 2 B 26 26 GLN CB C 321 29.309 30.875 -1.566 2
1 1404 . 2 2 B 26 26 GLN N N 321 119.864 117.182 2.682 2
1 1406 . 2 2 B 27 27 ASP H H 322 8.489 8.736 -0.247 2
1 1407 . 2 2 B 27 27 ASP HA H 322 4.656 4.722 -0.066 2
1 1410 . 2 2 B 27 27 ASP CA C 322 54.170 57.670 -3.500 2
1 1411 . 2 2 B 27 27 ASP CB C 322 40.758 37.810 2.948 2
1 1412 . 2 2 B 27 27 ASP N N 322 119.864 121.880 -2.016 2
1 1413 . 2 2 B 28 28 VAL H H 323 7.588 8.909 -1.321 2
1 1414 . 2 2 B 28 28 VAL HA H 323 4.094 4.402 -0.308 2
1 1422 . 2 2 B 28 28 VAL CA C 323 61.797 58.509 3.288 2
1 1423 . 2 2 B 28 28 VAL CB C 323 32.915 34.585 -1.670 2
1 1426 . 2 2 B 28 28 VAL N N 323 119.446 124.615 -5.169 2
1 1427 . 2 2 B 29 29 GLN H H 324 8.451 8.518 -0.067 2
1 1428 . 2 2 B 29 29 GLN HA H 324 4.633 4.741 -0.108 2
1 1435 . 2 2 B 29 29 GLN CA C 324 53.138 49.690 3.448 2
1 1436 . 2 2 B 29 29 GLN CB C 324 28.795 29.048 -0.253 2
1 1438 . 2 2 B 29 29 GLN N N 324 125.897 114.747 11.150 2
1 1440 . 2 2 B 30 30 PRO HA H 325 4.486 5.070 -0.584 2
1 1447 . 2 2 B 30 30 PRO CA C 325 62.553 59.585 2.968 2
1 1448 . 2 2 B 30 30 PRO CB C 325 32.316 37.239 -4.923 2
1 1451 . 2 2 B 31 31 SER H H 326 7.858 8.969 -1.111 2
1 1452 . 2 2 B 31 31 SER HA H 326 4.734 4.962 -0.228 2
1 1455 . 2 2 B 31 31 SER CA C 326 55.447 54.920 0.527 2
1 1456 . 2 2 B 31 31 SER CB C 326 63.822 54.351 9.471 2
1 1457 . 2 2 B 31 31 SER N N 326 115.759 120.263 -4.504 2
1 1458 . 2 2 B 32 32 PRO HA H 327 4.554 4.894 -0.340 2
1 1465 . 2 2 B 32 32 PRO CA C 327 64.076 60.014 4.062 2
1 1466 . 2 2 B 32 32 PRO CB C 327 32.098 48.787 -16.689 2
1 1469 . 2 2 B 33 33 ILE H H 328 8.233 8.498 -0.265 2
1 1470 . 2 2 B 33 33 ILE HA H 328 3.829 4.296 -0.467 2
1 1480 . 2 2 B 33 33 ILE CA C 328 58.518 54.265 4.253 2
1 1481 . 2 2 B 33 33 ILE CB C 328 36.419 37.829 -1.410 2
1 1485 . 2 2 B 33 33 ILE N N 328 121.037 114.444 6.593 2
1 1486 . 2 2 B 34 34 ASN H H 329 8.672 7.961 0.711 2
1 1487 . 2 2 B 34 34 ASN HA H 329 5.225 4.589 0.636 2
1 1492 . 2 2 B 34 34 ASN CA C 329 49.359 53.868 -4.509 2
1 1493 . 2 2 B 34 34 ASN CB C 329 38.952 39.242 -0.290 2
1 1494 . 2 2 B 34 34 ASN N N 329 121.624 121.255 0.369 2
1 1496 . 2 2 B 35 35 PRO HA H 330 4.509 4.304 0.204 2
1 1503 . 2 2 B 35 35 PRO CA C 330 62.553 60.851 1.702 2
1 1504 . 2 2 B 35 35 PRO CB C 330 31.844 32.655 -0.811 2
1 1507 . 2 2 B 36 36 PHE H H 331 7.738 8.237 -0.499 2
1 1508 . 2 2 B 36 36 PHE HA H 331 4.836 4.098 0.738 2
1 1514 . 2 2 B 36 36 PHE CA C 331 56.981 61.983 -5.002 2
1 1515 . 2 2 B 36 36 PHE CB C 331 39.210 35.248 3.962 2
1 1519 . 2 2 B 36 36 PHE N N 331 116.513 118.389 -1.876 2
1 1520 . 2 2 B 37 37 SER H H 332 7.221 8.301 -1.080 2
1 1521 . 2 2 B 37 37 SER HA H 332 4.273 4.118 0.155 2
1 1524 . 2 2 B 37 37 SER CA C 332 61.794 61.550 0.244 2
1 1525 . 2 2 B 37 37 SER CB C 332 62.810 46.344 16.466 2
1 1526 . 2 2 B 37 37 SER N N 332 115.256 118.510 -3.253 2
1 1527 . 2 2 B 38 38 ALA H H 333 8.551 7.713 0.838 2
1 1528 . 2 2 B 38 38 ALA HA H 333 4.308 4.311 -0.003 2
1 1532 . 2 2 B 38 38 ALA CA C 333 54.464 59.753 -5.289 2
1 1533 . 2 2 B 38 38 ALA CB C 333 18.148 24.762 -6.614 2
1 1534 . 2 2 B 38 38 ALA N N 333 123.216 123.788 -0.572 2
1 1535 . 2 2 B 39 39 PHE H H 334 7.842 7.547 0.295 2
1 1536 . 2 2 B 39 39 PHE HA H 334 4.165 4.225 -0.060 2
1 1542 . 2 2 B 39 39 PHE CA C 334 60.541 62.397 -1.856 2
1 1543 . 2 2 B 39 39 PHE CB C 334 38.703 35.185 3.518 2
1 1547 . 2 2 B 39 39 PHE N N 334 117.602 116.775 0.827 2
1 1548 . 2 2 B 40 40 PHE H H 335 7.668 7.962 -0.294 2
1 1549 . 2 2 B 40 40 PHE HA H 335 4.626 4.321 0.305 2
1 1555 . 2 2 B 40 40 PHE CA C 335 58.997 59.389 -0.392 2
1 1556 . 2 2 B 40 40 PHE CB C 335 39.427 40.214 -0.787 2
1 1560 . 2 2 B 40 40 PHE N N 335 117.267 119.266 -1.999 2
1 1561 . 2 2 B 41 41 GLU H H 336 8.105 8.465 -0.360 2
1 1562 . 2 2 B 41 41 GLU HA H 336 4.263 4.239 0.024 2
1 1567 . 2 2 B 41 41 GLU CA C 336 57.653 57.238 0.415 2
1 1568 . 2 2 B 41 41 GLU CB C 336 30.320 35.470 -5.150 2
1 1570 . 2 2 B 41 41 GLU N N 336 120.426 121.065 -0.639 2
1 1571 . 2 2 B 42 42 GLU H H 337 8.140 7.963 0.178 2
1 1572 . 2 2 B 42 42 GLU HA H 337 4.259 4.475 -0.216 2
1 1577 . 2 2 B 42 42 GLU CA C 337 56.969 56.261 0.708 2
1 1578 . 2 2 B 42 42 GLU CB C 337 30.018 33.827 -3.809 2
1 1580 . 2 2 B 42 42 GLU N N 337 120.291 119.005 1.286 2
1 1581 . 2 2 B 43 43 GLN H H 338 8.058 7.823 0.235 2
1 1582 . 2 2 B 43 43 GLN HA H 338 4.282 4.395 -0.113 2
1 1587 . 2 2 B 43 43 GLN CA C 338 56.127 57.144 -1.017 2
1 1588 . 2 2 B 43 43 GLN CB C 338 29.560 47.127 -17.567 2
1 1590 . 2 2 B 43 43 GLN N N 338 119.529 116.220 3.309 2
1 1591 . 2 2 B 44 44 GLU H H 339 8.254 8.379 -0.125 2
1 1592 . 2 2 B 44 44 GLU HA H 339 4.275 4.358 -0.083 2
1 1597 . 2 2 B 44 44 GLU CA C 339 56.683 56.514 0.169 2
1 1598 . 2 2 B 44 44 GLU N N 339 121.540 119.723 1.817 2
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