data_16015_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16015
_Entry.PDB_ID 2KA6
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 6 . 1 1 1 A 2 2 PRO HA H 2 4.396 4.296 0.100 1
1 13 . 1 1 1 A 2 2 PRO CA C 2 65.107 66.178 -1.071 1
1 14 . 1 1 1 A 2 2 PRO CB C 2 31.810 31.330 0.480 1
1 17 . 1 1 1 A 3 3 GLN H H 3 8.509 8.358 0.151 1
1 18 . 1 1 1 A 3 3 GLN HA H 3 3.962 4.052 -0.090 1
1 25 . 1 1 1 A 3 3 GLN CA C 3 59.223 58.793 0.430 1
1 26 . 1 1 1 A 3 3 GLN CB C 3 28.119 27.951 0.168 1
1 28 . 1 1 1 A 3 3 GLN N N 3 117.064 117.740 -0.676 1
1 30 . 1 1 1 A 4 4 GLU H H 4 7.950 8.460 -0.510 1
1 31 . 1 1 1 A 4 4 GLU HA H 4 4.105 4.074 0.031 1
1 36 . 1 1 1 A 4 4 GLU CA C 4 58.778 59.515 -0.737 1
1 37 . 1 1 1 A 4 4 GLU CB C 4 29.734 29.292 0.442 1
1 39 . 1 1 1 A 4 4 GLU N N 4 121.574 121.631 -0.057 1
1 40 . 1 1 1 A 5 5 SER H H 5 8.511 7.706 0.805 1
1 41 . 1 1 1 A 5 5 SER HA H 5 4.238 4.112 0.126 1
1 44 . 1 1 1 A 5 5 SER CA C 5 61.377 61.772 -0.395 1
1 45 . 1 1 1 A 5 5 SER CB C 5 62.351 62.803 -0.452 1
1 46 . 1 1 1 A 5 5 SER N N 5 115.674 116.011 -0.337 1
1 47 . 1 1 1 A 6 6 ARG H H 6 8.276 7.546 0.730 1
1 48 . 1 1 1 A 6 6 ARG HA H 6 4.324 4.185 0.139 1
1 55 . 1 1 1 A 6 6 ARG CA C 6 58.988 59.297 -0.309 1
1 56 . 1 1 1 A 6 6 ARG CB C 6 30.426 30.451 -0.025 1
1 59 . 1 1 1 A 6 6 ARG N N 6 122.441 121.663 0.778 1
1 60 . 1 1 1 A 7 7 ARG H H 7 8.015 8.087 -0.072 1
1 61 . 1 1 1 A 7 7 ARG HA H 7 3.955 4.134 -0.179 1
1 68 . 1 1 1 A 7 7 ARG CA C 7 59.724 58.954 0.770 1
1 69 . 1 1 1 A 7 7 ARG CB C 7 29.965 29.977 -0.012 1
1 72 . 1 1 1 A 7 7 ARG N N 7 119.491 119.498 -0.007 1
1 73 . 1 1 1 A 8 8 LEU H H 8 8.158 8.459 -0.301 1
1 74 . 1 1 1 A 8 8 LEU HA H 8 4.161 4.134 0.027 1
1 84 . 1 1 1 A 8 8 LEU CA C 8 57.686 57.635 0.051 1
1 85 . 1 1 1 A 8 8 LEU CB C 8 41.312 41.350 -0.038 1
1 89 . 1 1 1 A 8 8 LEU N N 8 120.359 119.757 0.602 1
1 90 . 1 1 1 A 9 9 SER H H 9 8.090 7.887 0.203 1
1 91 . 1 1 1 A 9 9 SER HA H 9 4.292 4.125 0.167 1
1 94 . 1 1 1 A 9 9 SER CA C 9 61.570 62.426 -0.856 1
1 95 . 1 1 1 A 9 9 SER CB C 9 62.493 62.806 -0.313 1
1 96 . 1 1 1 A 9 9 SER N N 9 116.178 114.869 1.309 1
1 97 . 1 1 1 A 10 10 ILE H H 10 8.396 7.772 0.624 1
1 98 . 1 1 1 A 10 10 ILE HA H 10 3.505 3.540 -0.035 1
1 108 . 1 1 1 A 10 10 ILE CA C 10 65.608 64.980 0.628 1
1 109 . 1 1 1 A 10 10 ILE CB C 10 37.706 37.225 0.481 1
1 113 . 1 1 1 A 10 10 ILE N N 10 122.840 121.459 1.381 1
1 114 . 1 1 1 A 11 11 GLN H H 11 8.142 8.266 -0.124 1
1 115 . 1 1 1 A 11 11 GLN HA H 11 4.032 3.958 0.074 1
1 122 . 1 1 1 A 11 11 GLN CA C 11 59.060 59.217 -0.157 1
1 123 . 1 1 1 A 11 11 GLN CB C 11 27.888 28.239 -0.351 1
1 125 . 1 1 1 A 11 11 GLN N N 11 119.144 118.923 0.221 1
1 127 . 1 1 1 A 12 12 ARG H H 12 8.330 7.974 0.356 1
1 128 . 1 1 1 A 12 12 ARG HA H 12 4.179 4.016 0.163 1
1 135 . 1 1 1 A 12 12 ARG CA C 12 59.494 59.463 0.031 1
1 136 . 1 1 1 A 12 12 ARG CB C 12 29.734 30.108 -0.374 1
1 138 . 1 1 1 A 12 12 ARG N N 12 120.186 119.940 0.246 1
1 139 . 1 1 1 A 13 13 CYS H H 13 8.242 8.270 -0.028 1
1 140 . 1 1 1 A 13 13 CYS HA H 13 4.231 4.142 0.089 1
1 143 . 1 1 1 A 13 13 CYS CA C 13 63.289 63.813 -0.524 1
1 144 . 1 1 1 A 13 13 CYS CB C 13 26.505 27.440 -0.935 1
1 145 . 1 1 1 A 13 13 CYS N N 13 121.574 118.538 3.036 1
1 146 . 1 1 1 A 14 14 ILE H H 14 8.493 7.968 0.525 1
1 147 . 1 1 1 A 14 14 ILE HA H 14 3.787 3.556 0.231 1
1 157 . 1 1 1 A 14 14 ILE CA C 14 64.269 65.301 -1.032 1
1 158 . 1 1 1 A 14 14 ILE CB C 14 36.597 37.708 -1.111 1
1 162 . 1 1 1 A 14 14 ILE N N 14 120.012 120.608 -0.596 1
1 163 . 1 1 1 A 15 15 GLN H H 15 8.468 8.238 0.230 1
1 164 . 1 1 1 A 15 15 GLN HA H 15 4.107 4.000 0.107 1
1 171 . 1 1 1 A 15 15 GLN CA C 15 58.969 59.017 -0.048 1
1 172 . 1 1 1 A 15 15 GLN CB C 15 27.843 28.716 -0.873 1
1 174 . 1 1 1 A 15 15 GLN N N 15 119.665 118.871 0.794 1
1 176 . 1 1 1 A 16 16 SER H H 16 8.409 7.989 0.420 1
1 177 . 1 1 1 A 16 16 SER HA H 16 4.424 4.075 0.349 1
1 180 . 1 1 1 A 16 16 SER CA C 16 61.726 62.565 -0.839 1
1 181 . 1 1 1 A 16 16 SER CB C 16 62.564 62.938 -0.374 1
1 182 . 1 1 1 A 16 16 SER N N 16 117.062 116.067 0.995 1
1 183 . 1 1 1 A 17 17 LEU H H 17 8.235 8.235 0.000 1
1 184 . 1 1 1 A 17 17 LEU HA H 17 4.103 4.089 0.014 1
1 194 . 1 1 1 A 17 17 LEU CA C 17 58.340 57.871 0.469 1
1 195 . 1 1 1 A 17 17 LEU CB C 17 41.961 41.698 0.263 1
1 199 . 1 1 1 A 17 17 LEU N N 17 125.564 122.896 2.668 1
1 200 . 1 1 1 A 18 18 VAL H H 18 8.603 8.178 0.425 1
1 201 . 1 1 1 A 18 18 VAL HA H 18 3.261 3.554 -0.293 1
1 209 . 1 1 1 A 18 18 VAL CA C 18 67.097 66.521 0.576 1
1 210 . 1 1 1 A 18 18 VAL CB C 18 31.589 31.513 0.076 1
1 213 . 1 1 1 A 18 18 VAL N N 18 119.665 118.869 0.796 1
1 214 . 1 1 1 A 19 19 HIS H H 19 8.083 8.293 -0.210 1
1 215 . 1 1 1 A 19 19 HIS HA H 19 4.231 4.153 0.078 1
1 219 . 1 1 1 A 19 19 HIS CA C 19 59.641 60.223 -0.582 1
1 220 . 1 1 1 A 19 19 HIS CB C 19 26.966 29.727 -2.761 1
1 222 . 1 1 1 A 19 19 HIS N N 19 116.094 119.338 -3.244 1
1 223 . 1 1 1 A 20 20 ALA H H 20 8.796 8.450 0.346 1
1 224 . 1 1 1 A 20 20 ALA HA H 20 4.308 3.986 0.322 1
1 228 . 1 1 1 A 20 20 ALA CA C 20 55.341 55.171 0.170 1
1 229 . 1 1 1 A 20 20 ALA CB C 20 20.026 18.286 1.740 1
1 230 . 1 1 1 A 20 20 ALA N N 20 121.747 120.419 1.328 1
1 231 . 1 1 1 A 21 21 CYS H H 21 7.909 7.945 -0.036 1
1 232 . 1 1 1 A 21 21 CYS HA H 21 4.294 4.244 0.050 1
1 235 . 1 1 1 A 21 21 CYS CA C 21 61.665 61.324 0.341 1
1 236 . 1 1 1 A 21 21 CYS CB C 21 26.764 27.057 -0.293 1
1 237 . 1 1 1 A 21 21 CYS N N 21 111.875 115.785 -3.910 1
1 238 . 1 1 1 A 22 22 GLN H H 22 7.357 7.758 -0.401 1
1 239 . 1 1 1 A 22 22 GLN HA H 22 4.531 4.358 0.173 1
1 246 . 1 1 1 A 22 22 GLN CA C 22 54.445 56.036 -1.591 1
1 247 . 1 1 1 A 22 22 GLN CB C 22 30.608 31.164 -0.556 1
1 249 . 1 1 1 A 22 22 GLN N N 22 116.021 117.132 -1.111 1
1 251 . 1 1 1 A 23 23 CYS H H 23 7.229 7.727 -0.498 1
1 252 . 1 1 1 A 23 23 CYS HA H 23 3.947 4.234 -0.287 1
1 255 . 1 1 1 A 23 23 CYS CA C 23 59.996 59.705 0.291 1
1 256 . 1 1 1 A 23 23 CYS CB C 23 29.000 28.228 0.772 1
1 257 . 1 1 1 A 23 23 CYS N N 23 124.350 118.757 5.593 1
1 258 . 1 1 1 A 24 24 ARG H H 24 8.966 8.752 0.214 1
1 259 . 1 1 1 A 24 24 ARG HA H 24 4.590 4.593 -0.003 1
1 266 . 1 1 1 A 24 24 ARG CA C 24 54.306 56.002 -1.696 1
1 267 . 1 1 1 A 24 24 ARG CB C 24 29.771 31.831 -2.060 1
1 270 . 1 1 1 A 24 24 ARG N N 24 129.729 123.905 5.824 1
1 271 . 1 1 1 A 25 25 ASN H H 25 7.823 7.017 0.806 1
1 272 . 1 1 1 A 25 25 ASN HA H 25 4.853 4.655 0.198 1
1 277 . 1 1 1 A 25 25 ASN CA C 25 51.372 53.554 -2.182 1
1 278 . 1 1 1 A 25 25 ASN CB C 25 38.727 39.020 -0.293 1
1 279 . 1 1 1 A 25 25 ASN N N 25 120.186 118.725 1.461 1
1 281 . 1 1 1 A 26 26 ALA H H 26 9.248 8.845 0.403 1
1 282 . 1 1 1 A 26 26 ALA HA H 26 4.091 4.091 0.000 1
1 286 . 1 1 1 A 26 26 ALA CA C 26 54.027 54.642 -0.615 1
1 287 . 1 1 1 A 26 26 ALA CB C 26 18.209 18.690 -0.481 1
1 288 . 1 1 1 A 26 26 ALA N N 26 130.423 125.799 4.624 1
1 289 . 1 1 1 A 27 27 ASN H H 27 8.085 8.001 0.084 1
1 290 . 1 1 1 A 27 27 ASN HA H 27 4.834 4.983 -0.149 1
1 295 . 1 1 1 A 27 27 ASN CA C 27 51.625 52.130 -0.505 1
1 296 . 1 1 1 A 27 27 ASN CB C 27 38.577 39.370 -0.793 1
1 297 . 1 1 1 A 27 27 ASN N N 27 113.766 115.584 -1.818 1
1 299 . 1 1 1 A 28 28 CYS H H 28 7.209 7.715 -0.506 1
1 300 . 1 1 1 A 28 28 CYS HA H 28 4.053 4.310 -0.257 1
1 303 . 1 1 1 A 28 28 CYS CA C 28 61.312 59.819 1.493 1
1 304 . 1 1 1 A 28 28 CYS CB C 28 29.674 28.962 0.712 1
1 305 . 1 1 1 A 28 28 CYS N N 28 123.309 120.973 2.336 1
1 306 . 1 1 1 A 29 29 SER H H 29 8.922 8.649 0.273 1
1 307 . 1 1 1 A 29 29 SER HA H 29 4.609 4.217 0.392 1
1 310 . 1 1 1 A 29 29 SER CA C 29 57.450 60.624 -3.174 1
1 311 . 1 1 1 A 29 29 SER CB C 29 63.604 62.900 0.704 1
1 312 . 1 1 1 A 29 29 SER N N 29 124.870 119.606 5.264 1
1 313 . 1 1 1 A 30 30 LEU H H 30 8.513 7.583 0.930 1
1 314 . 1 1 1 A 30 30 LEU HA H 30 4.497 4.389 0.108 1
1 324 . 1 1 1 A 30 30 LEU CA C 30 53.980 52.855 1.125 1
1 325 . 1 1 1 A 30 30 LEU CB C 30 40.643 41.667 -1.024 1
1 329 . 1 1 1 A 30 30 LEU N N 30 128.341 125.003 3.338 1
1 330 . 1 1 1 A 31 31 PRO HA H 31 4.329 4.260 0.069 1
1 337 . 1 1 1 A 31 31 PRO CA C 31 65.026 64.916 0.110 1
1 338 . 1 1 1 A 31 31 PRO CB C 31 31.580 31.977 -0.397 1
1 341 . 1 1 1 A 32 32 SER H H 32 8.537 8.080 0.457 1
1 342 . 1 1 1 A 32 32 SER HA H 32 4.287 4.206 0.081 1
1 345 . 1 1 1 A 32 32 SER CA C 32 60.277 61.562 -1.285 1
1 346 . 1 1 1 A 32 32 SER CB C 32 62.277 62.726 -0.449 1
1 347 . 1 1 1 A 32 32 SER N N 32 112.551 113.737 -1.186 1
1 348 . 1 1 1 A 33 33 CYS H H 33 7.523 8.099 -0.576 1
1 349 . 1 1 1 A 33 33 CYS HA H 33 4.170 3.919 0.251 1
1 352 . 1 1 1 A 33 33 CYS CA C 33 63.408 62.901 0.507 1
1 353 . 1 1 1 A 33 33 CYS CB C 33 29.503 26.525 2.978 1
1 354 . 1 1 1 A 33 33 CYS N N 33 126.085 121.076 5.009 1
1 355 . 1 1 1 A 34 34 GLN H H 34 8.102 7.807 0.295 1
1 356 . 1 1 1 A 34 34 GLN HA H 34 3.963 4.071 -0.108 1
1 359 . 1 1 1 A 34 34 GLN N N 34 115.711 118.953 -3.242 1
1 361 . 1 1 1 A 35 35 LYS H H 35 8.093 7.691 0.402 1
1 362 . 1 1 1 A 35 35 LYS HA H 35 3.994 4.137 -0.143 1
1 371 . 1 1 1 A 35 35 LYS CA C 35 59.502 59.138 0.364 1
1 372 . 1 1 1 A 35 35 LYS CB C 35 32.273 32.252 0.021 1
1 376 . 1 1 1 A 35 35 LYS N N 35 117.930 120.735 -2.805 1
1 377 . 1 1 1 A 36 36 MET H H 36 8.237 8.664 -0.427 1
1 378 . 1 1 1 A 36 36 MET HA H 36 4.488 4.096 0.392 1
1 386 . 1 1 1 A 36 36 MET CA C 36 56.725 59.240 -2.515 1
1 387 . 1 1 1 A 36 36 MET CB C 36 30.954 32.447 -1.493 1
1 390 . 1 1 1 A 36 36 MET N N 36 117.062 118.512 -1.450 1
1 391 . 1 1 1 A 37 37 LYS H H 37 9.107 8.065 1.042 1
1 392 . 1 1 1 A 37 37 LYS HA H 37 3.900 4.005 -0.105 1
1 401 . 1 1 1 A 37 37 LYS CA C 37 61.097 60.011 1.086 1
1 402 . 1 1 1 A 37 37 LYS CB C 37 32.947 32.313 0.634 1
1 406 . 1 1 1 A 37 37 LYS N N 37 120.186 119.329 0.857 1
1 407 . 1 1 1 A 38 38 ARG H H 38 7.781 8.003 -0.222 1
1 408 . 1 1 1 A 38 38 ARG HA H 38 4.127 4.105 0.022 1
1 413 . 1 1 1 A 38 38 ARG CA C 38 59.263 59.248 0.015 1
1 414 . 1 1 1 A 38 38 ARG CB C 38 29.965 29.839 0.126 1
1 416 . 1 1 1 A 38 38 ARG N N 38 118.971 120.012 -1.041 1
1 417 . 1 1 1 A 39 39 VAL H H 39 8.289 8.027 0.262 1
1 418 . 1 1 1 A 39 39 VAL HA H 39 3.539 3.764 -0.225 1
1 426 . 1 1 1 A 39 39 VAL CA C 39 66.989 66.498 0.491 1
1 427 . 1 1 1 A 39 39 VAL CB C 39 31.451 31.747 -0.296 1
1 430 . 1 1 1 A 39 39 VAL N N 39 123.829 120.130 3.699 1
1 431 . 1 1 1 A 40 40 VAL H H 40 8.318 8.365 -0.047 1
1 432 . 1 1 1 A 40 40 VAL HA H 40 3.528 3.804 -0.276 1
1 440 . 1 1 1 A 40 40 VAL CA C 40 67.050 65.294 1.756 1
1 441 . 1 1 1 A 40 40 VAL CB C 40 31.608 31.255 0.353 1
1 444 . 1 1 1 A 40 40 VAL N N 40 119.665 120.358 -0.693 1
1 445 . 1 1 1 A 41 41 GLN H H 41 8.263 8.069 0.194 1
1 446 . 1 1 1 A 41 41 GLN HA H 41 3.974 3.936 0.038 1
1 453 . 1 1 1 A 41 41 GLN CA C 41 58.571 59.178 -0.607 1
1 454 . 1 1 1 A 41 41 GLN CB C 41 28.018 28.337 -0.319 1
1 456 . 1 1 1 A 41 41 GLN N N 41 118.450 122.207 -3.757 1
1 458 . 1 1 1 A 42 42 HIS H H 42 8.309 8.111 0.198 1
1 459 . 1 1 1 A 42 42 HIS HA H 42 4.215 4.314 -0.099 1
1 463 . 1 1 1 A 42 42 HIS CA C 42 59.402 59.442 -0.040 1
1 464 . 1 1 1 A 42 42 HIS CB C 42 26.966 30.620 -3.654 1
1 466 . 1 1 1 A 42 42 HIS N N 42 118.971 120.075 -1.104 1
1 467 . 1 1 1 A 43 43 THR H H 43 8.056 8.071 -0.015 1
1 468 . 1 1 1 A 43 43 THR HA H 43 3.929 3.647 0.282 1
1 474 . 1 1 1 A 43 43 THR CA C 43 66.101 67.141 -1.040 1
1 475 . 1 1 1 A 43 43 THR CB C 43 69.107 68.400 0.707 1
1 477 . 1 1 1 A 43 43 THR N N 43 114.320 113.147 1.173 1
1 478 . 1 1 1 A 44 44 LYS H H 44 7.531 7.982 -0.451 1
1 479 . 1 1 1 A 44 44 LYS HA H 44 4.085 4.101 -0.016 1
1 488 . 1 1 1 A 44 44 LYS CA C 44 58.682 59.175 -0.493 1
1 489 . 1 1 1 A 44 44 LYS CB C 44 32.024 32.529 -0.505 1
1 493 . 1 1 1 A 44 44 LYS N N 44 120.012 119.671 0.341 1
1 494 . 1 1 1 A 45 45 GLY H H 45 7.143 7.718 -0.575 1
1 495 . 1 1 1 A 45 45 GLY HA2 H 45 3.625 4.067 -0.442 1
1 496 . 1 1 1 A 45 45 GLY HA3 H 45 4.387 4.080 0.307 1
1 497 . 1 1 1 A 45 45 GLY CA C 45 44.289 45.229 -0.940 1
1 498 . 1 1 1 A 45 45 GLY N N 45 103.528 106.876 -3.348 1
1 499 . 1 1 1 A 46 46 CYS H H 46 6.988 7.196 -0.208 1
1 500 . 1 1 1 A 46 46 CYS HA H 46 3.955 4.452 -0.497 1
1 503 . 1 1 1 A 46 46 CYS CA C 46 60.654 58.968 1.686 1
1 504 . 1 1 1 A 46 46 CYS CB C 46 29.793 28.685 1.108 1
1 505 . 1 1 1 A 46 46 CYS N N 46 123.656 119.950 3.706 1
1 506 . 1 1 1 A 47 47 LYS H H 47 9.060 8.803 0.257 1
1 507 . 1 1 1 A 47 47 LYS HA H 47 4.489 4.624 -0.135 1
1 516 . 1 1 1 A 47 47 LYS CA C 47 56.127 55.977 0.150 1
1 517 . 1 1 1 A 47 47 LYS CB C 47 32.393 33.742 -1.349 1
1 521 . 1 1 1 A 47 47 LYS N N 47 127.820 123.928 3.892 1
1 522 . 1 1 1 A 48 48 ARG H H 48 8.537 7.731 0.806 1
1 523 . 1 1 1 A 48 48 ARG HA H 48 4.330 4.324 0.006 1
1 530 . 1 1 1 A 48 48 ARG CA C 48 57.648 58.026 -0.378 1
1 531 . 1 1 1 A 48 48 ARG CB C 48 31.810 30.969 0.841 1
1 534 . 1 1 1 A 48 48 ARG N N 48 122.615 117.336 5.279 1
1 535 . 1 1 1 A 49 49 LYS H H 49 8.522 7.695 0.827 1
1 536 . 1 1 1 A 49 49 LYS HA H 49 4.554 4.225 0.329 1
1 545 . 1 1 1 A 49 49 LYS CA C 49 57.417 56.753 0.664 1
1 546 . 1 1 1 A 49 49 LYS CB C 49 31.543 31.950 -0.407 1
1 550 . 1 1 1 A 49 49 LYS N N 49 117.583 119.196 -1.613 1
1 551 . 1 1 1 A 50 50 THR H H 50 7.992 8.937 -0.945 1
1 552 . 1 1 1 A 50 50 THR HA H 50 4.127 3.959 0.168 1
1 557 . 1 1 1 A 50 50 THR CA C 50 63.985 65.657 -1.672 1
1 558 . 1 1 1 A 50 50 THR CB C 50 68.157 68.207 -0.050 1
1 560 . 1 1 1 A 50 50 THR N N 50 113.245 113.454 -0.209 1
1 561 . 1 1 1 A 51 51 ASN H H 51 8.888 8.510 0.378 1
1 562 . 1 1 1 A 51 51 ASN HA H 51 4.665 4.493 0.172 1
1 567 . 1 1 1 A 51 51 ASN CA C 51 54.159 55.892 -1.733 1
1 568 . 1 1 1 A 51 51 ASN CB C 51 37.857 38.226 -0.369 1
1 570 . 1 1 1 A 52 52 GLY H H 52 7.972 7.764 0.208 1
1 571 . 1 1 1 A 52 52 GLY HA2 H 52 3.893 3.924 -0.031 1
1 572 . 1 1 1 A 52 52 GLY HA3 H 52 4.101 3.927 0.174 1
1 573 . 1 1 1 A 52 52 GLY CA C 52 45.368 45.700 -0.332 1
1 574 . 1 1 1 A 52 52 GLY N N 52 106.651 106.818 -0.167 1
1 575 . 1 1 1 A 53 53 GLY H H 53 7.765 7.945 -0.180 1
1 576 . 1 1 1 A 53 53 GLY HA2 H 53 3.837 4.057 -0.220 1
1 577 . 1 1 1 A 53 53 GLY HA3 H 53 4.079 4.059 0.020 1
1 578 . 1 1 1 A 53 53 GLY CA C 53 45.227 44.970 0.257 1
1 579 . 1 1 1 A 53 53 GLY N N 53 107.519 106.745 0.774 1
1 580 . 1 1 1 A 54 54 CYS H H 54 8.099 7.901 0.198 1
1 581 . 1 1 1 A 54 54 CYS HA H 54 4.720 4.528 0.192 1
1 584 . 1 1 1 A 54 54 CYS CA C 54 55.572 57.484 -1.912 1
1 585 . 1 1 1 A 54 54 CYS CB C 54 30.216 28.798 1.418 1
1 586 . 1 1 1 A 54 54 CYS N N 54 122.615 119.793 2.822 1
1 587 . 1 1 1 A 55 55 PRO HA H 55 4.237 4.456 -0.219 1
1 594 . 1 1 1 A 55 55 PRO CA C 55 64.757 64.169 0.588 1
1 595 . 1 1 1 A 55 55 PRO CB C 55 32.311 32.001 0.310 1
1 598 . 1 1 1 A 56 56 VAL H H 56 7.645 7.232 0.413 1
1 599 . 1 1 1 A 56 56 VAL HA H 56 3.384 3.688 -0.304 1
1 607 . 1 1 1 A 56 56 VAL CA C 56 66.184 65.954 0.230 1
1 608 . 1 1 1 A 56 56 VAL CB C 56 32.502 31.567 0.935 1
1 611 . 1 1 1 A 56 56 VAL N N 56 121.227 116.829 4.398 1
1 612 . 1 1 1 A 57 57 CYS H H 57 8.565 7.744 0.821 1
1 613 . 1 1 1 A 57 57 CYS HA H 57 4.034 3.949 0.085 1
1 616 . 1 1 1 A 57 57 CYS CA C 57 65.746 63.415 2.331 1
1 617 . 1 1 1 A 57 57 CYS CB C 57 29.273 27.167 2.106 1
1 618 . 1 1 1 A 57 57 CYS N N 57 122.615 117.730 4.885 1
1 619 . 1 1 1 A 58 58 LYS H H 58 7.956 7.657 0.299 1
1 620 . 1 1 1 A 58 58 LYS HA H 58 3.874 3.834 0.040 1
1 629 . 1 1 1 A 58 58 LYS CA C 58 59.955 59.372 0.583 1
1 630 . 1 1 1 A 58 58 LYS CB C 58 32.272 32.195 0.077 1
1 634 . 1 1 1 A 58 58 LYS N N 58 116.889 121.085 -4.196 1
1 635 . 1 1 1 A 59 59 GLN H H 59 7.359 7.800 -0.441 1
1 636 . 1 1 1 A 59 59 GLN HA H 59 3.789 4.067 -0.278 1
1 643 . 1 1 1 A 59 59 GLN CA C 59 60.647 58.648 1.999 1
1 644 . 1 1 1 A 59 59 GLN CB C 59 27.196 28.416 -1.220 1
1 646 . 1 1 1 A 59 59 GLN N N 59 116.889 118.646 -1.757 1
1 648 . 1 1 1 A 60 60 LEU H H 60 8.303 7.861 0.442 1
1 649 . 1 1 1 A 60 60 LEU HA H 60 4.093 4.010 0.083 1
1 659 . 1 1 1 A 60 60 LEU CA C 60 58.110 57.955 0.155 1
1 660 . 1 1 1 A 60 60 LEU CB C 60 40.807 41.832 -1.025 1
1 664 . 1 1 1 A 60 60 LEU N N 60 118.103 119.381 -1.278 1
1 665 . 1 1 1 A 61 61 ILE H H 61 8.804 8.408 0.396 1
1 666 . 1 1 1 A 61 61 ILE HA H 61 3.801 3.510 0.291 1
1 676 . 1 1 1 A 61 61 ILE CA C 61 63.416 65.654 -2.238 1
1 677 . 1 1 1 A 61 61 ILE CB C 61 36.886 37.671 -0.785 1
1 681 . 1 1 1 A 61 61 ILE N N 61 118.624 118.890 -0.266 1
1 682 . 1 1 1 A 62 62 ALA H H 62 7.796 8.024 -0.228 1
1 683 . 1 1 1 A 62 62 ALA HA H 62 4.058 4.138 -0.080 1
1 687 . 1 1 1 A 62 62 ALA CA C 62 56.030 55.328 0.702 1
1 688 . 1 1 1 A 62 62 ALA CB C 62 18.068 18.476 -0.408 1
1 689 . 1 1 1 A 62 62 ALA N N 62 124.003 122.744 1.259 1
1 690 . 1 1 1 A 63 63 LEU H H 63 8.011 7.802 0.209 1
1 691 . 1 1 1 A 63 63 LEU HA H 63 4.077 4.102 -0.025 1
1 701 . 1 1 1 A 63 63 LEU CA C 63 58.110 57.867 0.243 1
1 702 . 1 1 1 A 63 63 LEU CB C 63 42.116 41.348 0.768 1
1 706 . 1 1 1 A 63 63 LEU N N 63 117.583 119.319 -1.736 1
1 707 . 1 1 1 A 64 64 CYS H H 64 8.818 8.772 0.046 1
1 708 . 1 1 1 A 64 64 CYS HA H 64 4.053 4.250 -0.197 1
1 711 . 1 1 1 A 64 64 CYS CA C 64 64.800 62.935 1.865 1
1 712 . 1 1 1 A 64 64 CYS CB C 64 26.504 26.798 -0.294 1
1 713 . 1 1 1 A 64 64 CYS N N 64 118.277 117.010 1.267 1
1 714 . 1 1 1 A 65 65 CYS H H 65 8.793 8.429 0.364 1
1 715 . 1 1 1 A 65 65 CYS HA H 65 4.258 4.116 0.142 1
1 718 . 1 1 1 A 65 65 CYS CA C 65 63.646 63.907 -0.261 1
1 719 . 1 1 1 A 65 65 CYS CB C 65 26.966 26.898 0.068 1
1 720 . 1 1 1 A 65 65 CYS N N 65 118.971 119.281 -0.310 1
1 721 . 1 1 1 A 66 66 TYR H H 66 8.369 8.618 -0.249 1
1 722 . 1 1 1 A 66 66 TYR HA H 66 4.034 4.217 -0.183 1
1 729 . 1 1 1 A 66 66 TYR CA C 66 60.886 61.908 -1.022 1
1 730 . 1 1 1 A 66 66 TYR CB C 66 37.808 38.568 -0.760 1
1 733 . 1 1 1 A 66 66 TYR N N 66 121.574 122.572 -0.998 1
1 734 . 1 1 1 A 67 67 HIS H H 67 8.633 7.646 0.987 1
1 735 . 1 1 1 A 67 67 HIS HA H 67 4.318 4.332 -0.014 1
1 740 . 1 1 1 A 67 67 HIS CA C 67 58.998 60.147 -1.149 1
1 741 . 1 1 1 A 67 67 HIS CB C 67 27.409 30.269 -2.860 1
1 744 . 1 1 1 A 67 67 HIS N N 67 117.409 118.991 -1.582 1
1 745 . 1 1 1 A 68 68 ALA H H 68 8.725 8.887 -0.162 1
1 746 . 1 1 1 A 68 68 ALA HA H 68 4.019 3.923 0.096 1
1 750 . 1 1 1 A 68 68 ALA CA C 68 54.690 55.237 -0.547 1
1 751 . 1 1 1 A 68 68 ALA CB C 68 19.964 18.478 1.486 1
1 752 . 1 1 1 A 68 68 ALA N N 68 122.094 121.018 1.076 1
1 753 . 1 1 1 A 69 69 LYS H H 69 7.362 8.073 -0.711 1
1 754 . 1 1 1 A 69 69 LYS HA H 69 3.736 3.908 -0.172 1
1 763 . 1 1 1 A 69 69 LYS CA C 69 58.137 59.201 -1.064 1
1 764 . 1 1 1 A 69 69 LYS CB C 69 32.224 32.060 0.164 1
1 768 . 1 1 1 A 69 69 LYS N N 69 114.807 117.896 -3.089 1
1 769 . 1 1 1 A 70 70 HIS H H 70 7.011 7.492 -0.481 1
1 770 . 1 1 1 A 70 70 HIS HA H 70 4.697 4.361 0.336 1
1 774 . 1 1 1 A 70 70 HIS CA C 70 54.835 57.757 -2.922 1
1 775 . 1 1 1 A 70 70 HIS CB C 70 30.477 30.789 -0.312 1
1 777 . 1 1 1 A 70 70 HIS N N 70 112.898 113.444 -0.546 1
1 778 . 1 1 1 A 71 71 CYS H H 71 7.012 7.508 -0.496 1
1 779 . 1 1 1 A 71 71 CYS HA H 71 4.032 4.185 -0.153 1
1 782 . 1 1 1 A 71 71 CYS CA C 71 59.948 59.960 -0.012 1
1 783 . 1 1 1 A 71 71 CYS CB C 71 29.752 27.884 1.868 1
1 784 . 1 1 1 A 71 71 CYS N N 71 123.829 116.956 6.873 1
1 785 . 1 1 1 A 72 72 GLN H H 72 9.181 8.796 0.385 1
1 786 . 1 1 1 A 72 72 GLN HA H 72 4.674 4.587 0.087 1
1 793 . 1 1 1 A 72 72 GLN CA C 72 54.224 55.473 -1.249 1
1 794 . 1 1 1 A 72 72 GLN CB C 72 29.049 30.296 -1.247 1
1 796 . 1 1 1 A 72 72 GLN N N 72 128.341 122.915 5.426 1
1 798 . 1 1 1 A 73 73 GLU H H 73 8.396 7.235 1.161 1
1 799 . 1 1 1 A 73 73 GLU HA H 73 4.389 4.449 -0.060 1
1 804 . 1 1 1 A 73 73 GLU CA C 73 55.341 56.607 -1.266 1
1 805 . 1 1 1 A 73 73 GLU CB C 73 30.239 31.224 -0.985 1
1 807 . 1 1 1 A 73 73 GLU N N 73 123.309 122.845 0.464 1
1 808 . 1 1 1 A 74 74 ASN H H 74 8.921 9.075 -0.154 1
1 809 . 1 1 1 A 74 74 ASN HA H 74 4.538 4.962 -0.424 1
1 814 . 1 1 1 A 74 74 ASN CA C 74 54.666 53.907 0.759 1
1 815 . 1 1 1 A 74 74 ASN CB C 74 38.301 39.284 -0.983 1
1 816 . 1 1 1 A 74 74 ASN N N 74 124.870 123.339 1.531 1
1 818 . 1 1 1 A 75 75 LYS H H 75 8.847 7.858 0.989 1
1 819 . 1 1 1 A 75 75 LYS HA H 75 4.442 4.643 -0.201 1
1 828 . 1 1 1 A 75 75 LYS CA C 75 54.327 55.340 -1.013 1
1 829 . 1 1 1 A 75 75 LYS CB C 75 30.837 33.173 -2.336 1
1 833 . 1 1 1 A 75 75 LYS N N 75 121.574 116.821 4.753 1
1 834 . 1 1 1 A 76 76 CYS H H 76 7.191 7.369 -0.178 1
1 835 . 1 1 1 A 76 76 CYS HA H 76 4.389 4.440 -0.051 1
1 838 . 1 1 1 A 76 76 CYS CA C 76 57.270 57.671 -0.401 1
1 839 . 1 1 1 A 76 76 CYS CB C 76 30.613 28.344 2.269 1
1 840 . 1 1 1 A 76 76 CYS N N 76 124.350 121.587 2.763 1
1 841 . 1 1 1 A 77 77 PRO HA H 77 4.673 4.493 0.180 1
1 848 . 1 1 1 A 77 77 PRO CA C 77 62.878 64.355 -1.477 1
1 849 . 1 1 1 A 77 77 PRO CB C 77 31.950 31.998 -0.048 1
1 852 . 1 1 1 A 78 78 VAL H H 78 8.974 7.772 1.202 1
1 853 . 1 1 1 A 78 78 VAL HA H 78 4.187 4.204 -0.017 1
1 861 . 1 1 1 A 78 78 VAL CA C 78 61.637 60.954 0.683 1
1 862 . 1 1 1 A 78 78 VAL CB C 78 31.654 32.034 -0.380 1
1 865 . 1 1 1 A 78 78 VAL N N 78 128.688 119.553 9.135 1
1 866 . 1 1 1 A 79 79 PRO HA H 79 3.938 4.226 -0.288 1
1 873 . 1 1 1 A 79 79 PRO CA C 79 63.962 65.336 -1.374 1
1 874 . 1 1 1 A 79 79 PRO CB C 79 30.887 31.815 -0.928 1
1 877 . 1 1 1 A 80 80 PHE HA H 80 4.350 4.293 0.057 1
1 884 . 1 1 1 A 80 80 PHE CA C 80 59.032 60.233 -1.201 1
1 885 . 1 1 1 A 80 80 PHE CB C 80 37.686 38.392 -0.706 1
1 888 . 1 1 1 A 81 81 CYS H H 81 7.686 8.263 -0.577 1
1 889 . 1 1 1 A 81 81 CYS HA H 81 4.001 4.119 -0.118 1
1 892 . 1 1 1 A 81 81 CYS CA C 81 64.779 62.618 2.161 1
1 893 . 1 1 1 A 81 81 CYS CB C 81 29.524 25.970 3.554 1
1 894 . 1 1 1 A 81 81 CYS N N 81 124.176 118.649 5.527 1
1 895 . 1 1 1 A 82 82 LEU H H 82 8.267 8.255 0.012 1
1 896 . 1 1 1 A 82 82 LEU HA H 82 4.010 3.621 0.389 1
1 906 . 1 1 1 A 82 82 LEU CA C 82 58.340 58.008 0.332 1
1 907 . 1 1 1 A 82 82 LEU CB C 82 40.862 41.680 -0.818 1
1 911 . 1 1 1 A 82 82 LEU N N 82 114.980 121.743 -6.763 1
1 912 . 1 1 1 A 83 83 ASN H H 83 7.917 8.308 -0.391 1
1 913 . 1 1 1 A 83 83 ASN HA H 83 4.490 4.414 0.076 1
1 918 . 1 1 1 A 83 83 ASN CA C 83 56.061 56.385 -0.324 1
1 919 . 1 1 1 A 83 83 ASN CB C 83 38.494 38.175 0.319 1
1 920 . 1 1 1 A 83 83 ASN N N 83 116.542 116.100 0.442 1
1 922 . 1 1 1 A 84 84 ILE H H 84 8.788 8.114 0.674 1
1 923 . 1 1 1 A 84 84 ILE HA H 84 3.734 3.737 -0.003 1
1 933 . 1 1 1 A 84 84 ILE CA C 84 65.142 65.094 0.048 1
1 934 . 1 1 1 A 84 84 ILE CB C 84 38.039 37.908 0.131 1
1 938 . 1 1 1 A 84 84 ILE N N 84 121.747 120.532 1.215 1
1 939 . 1 1 1 A 85 85 LYS H H 85 8.954 8.439 0.515 1
1 940 . 1 1 1 A 85 85 LYS HA H 85 3.839 4.107 -0.268 1
1 949 . 1 1 1 A 85 85 LYS CA C 85 60.936 58.744 2.192 1
1 950 . 1 1 1 A 85 85 LYS CB C 85 32.041 32.065 -0.024 1
1 954 . 1 1 1 A 85 85 LYS N N 85 119.665 120.402 -0.737 1
1 955 . 1 1 1 A 86 86 HIS H H 86 8.043 7.957 0.086 1
1 956 . 1 1 1 A 86 86 HIS HA H 86 4.411 4.315 0.096 1
1 960 . 1 1 1 A 86 86 HIS CA C 86 58.746 59.279 -0.533 1
1 961 . 1 1 1 A 86 86 HIS CB C 86 30.067 30.016 0.051 1
1 963 . 1 1 1 A 86 86 HIS N N 86 116.542 118.929 -2.387 1
1 964 . 1 1 1 A 87 87 LYS H H 87 7.822 7.761 0.061 1
1 965 . 1 1 1 A 87 87 LYS HA H 87 4.158 4.109 0.049 1
1 968 . 1 1 1 A 87 87 LYS CA C 87 57.879 58.929 -1.050 1
1 969 . 1 1 1 A 87 87 LYS N N 87 119.318 119.756 -0.438 1
1 970 . 1 1 1 A 88 88 LEU H H 88 8.405 8.579 -0.174 1
1 971 . 1 1 1 A 88 88 LEU HA H 88 4.194 3.981 0.213 1
1 981 . 1 1 1 A 88 88 LEU CA C 88 56.289 58.024 -1.735 1
1 982 . 1 1 1 A 88 88 LEU CB C 88 41.692 41.504 0.188 1
1 986 . 1 1 1 A 88 88 LEU N N 88 119.144 120.030 -0.886 1
1 987 . 1 1 1 A 89 89 ARG H H 89 7.826 8.478 -0.652 1
1 988 . 1 1 1 A 89 89 ARG HA H 89 4.271 4.236 0.035 1
1 995 . 1 1 1 A 89 89 ARG CA C 89 56.666 58.938 -2.272 1
1 996 . 1 1 1 A 89 89 ARG CB C 89 29.965 29.913 0.052 1
1 999 . 1 1 1 A 89 89 ARG N N 89 118.450 119.452 -1.002 1
1 1000 . 1 1 1 A 90 90 GLN H H 90 7.935 7.529 0.406 1
1 1001 . 1 1 1 A 90 90 GLN HA H 90 4.270 4.328 -0.058 1
1 1008 . 1 1 1 A 90 90 GLN CA C 90 55.840 57.691 -1.851 1
1 1009 . 1 1 1 A 90 90 GLN CB C 90 28.989 29.240 -0.251 1
1 1011 . 1 1 1 A 90 90 GLN N N 90 119.318 116.582 2.736 1
1 1013 . 1 1 1 A 91 91 GLN H H 91 8.141 7.877 0.264 1
1 1014 . 1 1 1 A 91 91 GLN HA H 91 4.352 4.463 -0.111 1
1 1021 . 1 1 1 A 91 91 GLN CA C 91 55.581 55.981 -0.400 1
1 1022 . 1 1 1 A 91 91 GLN CB C 91 29.284 29.785 -0.501 1
1 1024 . 1 1 1 A 91 91 GLN N N 91 120.706 117.912 2.794 1
1 1043 . 1 2 2 B 2 2 SER CB C 707 63.646 64.574 -0.928 1
1 1044 . 1 2 2 B 3 3 HIS HA H 708 4.663 4.952 -0.289 1
1 1047 . 1 2 2 B 3 3 HIS CA C 708 56.033 55.764 0.269 1
1 1048 . 1 2 2 B 3 3 HIS CB C 708 30.146 31.086 -0.940 1
1 1053 . 1 2 2 B 5 5 SER H H 710 8.437 8.444 -0.007 1
1 1054 . 1 2 2 B 5 5 SER HA H 710 4.429 4.744 -0.315 1
1 1057 . 1 2 2 B 5 5 SER CA C 710 58.340 57.257 1.083 1
1 1058 . 1 2 2 B 5 5 SER CB C 710 63.416 64.522 -1.106 1
1 1059 . 1 2 2 B 5 5 SER N N 710 117.160 113.218 3.942 1
1 1060 . 1 2 2 B 6 6 GLU H H 711 8.458 7.804 0.654 1
1 1061 . 1 2 2 B 6 6 GLU HA H 711 4.311 4.032 0.279 1
1 1066 . 1 2 2 B 6 6 GLU CA C 711 56.033 57.174 -1.141 1
1 1067 . 1 2 2 B 6 6 GLU CB C 711 30.223 31.295 -1.072 1
1 1069 . 1 2 2 B 6 6 GLU N N 711 123.053 123.403 -0.350 1
1 1070 . 1 2 2 B 7 7 VAL H H 712 8.150 8.438 -0.288 1
1 1071 . 1 2 2 B 7 7 VAL HA H 712 4.050 3.950 0.100 1
1 1079 . 1 2 2 B 7 7 VAL CA C 712 61.801 64.036 -2.235 1
1 1080 . 1 2 2 B 7 7 VAL CB C 712 32.041 31.989 0.052 1
1 1083 . 1 2 2 B 7 7 VAL N N 712 121.173 122.114 -0.941 1
1 1084 . 1 2 2 B 8 8 HIS H H 713 8.495 7.386 1.109 1
1 1085 . 1 2 2 B 8 8 HIS HA H 713 4.914 4.822 0.092 1
1 1089 . 1 2 2 B 8 8 HIS CA C 713 53.945 54.198 -0.253 1
1 1090 . 1 2 2 B 8 8 HIS CB C 713 30.218 30.286 -0.068 1
1 1092 . 1 2 2 B 8 8 HIS N N 713 125.310 117.165 8.145 1
1 1093 . 1 2 2 B 9 9 PRO HA H 714 4.430 4.656 -0.226 1
1 1100 . 1 2 2 B 9 9 PRO CA C 714 63.409 62.646 0.763 1
1 1101 . 1 2 2 B 9 9 PRO CB C 714 32.018 33.605 -1.587 1
1 1104 . 1 2 2 B 10 10 SER H H 715 8.889 8.395 0.494 1
1 1105 . 1 2 2 B 10 10 SER HA H 715 4.437 4.759 -0.322 1
1 1108 . 1 2 2 B 10 10 SER CA C 715 58.571 57.857 0.714 1
1 1109 . 1 2 2 B 10 10 SER CB C 715 63.213 64.585 -1.372 1
1 1110 . 1 2 2 B 10 10 SER N N 715 116.533 111.442 5.091 1
1 1111 . 1 2 2 B 11 11 ARG H H 716 8.442 7.524 0.918 1
1 1112 . 1 2 2 B 11 11 ARG HA H 716 4.388 4.886 -0.498 1
1 1119 . 1 2 2 B 11 11 ARG CA C 716 55.882 55.636 0.246 1
1 1120 . 1 2 2 B 11 11 ARG CB C 716 30.395 33.806 -3.411 1
1 1123 . 1 2 2 B 11 11 ARG N N 716 122.803 121.431 1.372 1
1 1124 . 1 2 2 B 12 12 LEU H H 717 8.133 8.602 -0.469 1
1 1125 . 1 2 2 B 12 12 LEU HA H 717 4.356 5.069 -0.713 1
1 1135 . 1 2 2 B 12 12 LEU CA C 717 54.880 53.736 1.144 1
1 1136 . 1 2 2 B 12 12 LEU CB C 717 42.081 46.067 -3.986 1
1 1140 . 1 2 2 B 12 12 LEU N N 717 122.552 121.200 1.352 1
1 1141 . 1 2 2 B 13 13 GLN H H 718 8.440 8.466 -0.026 1
1 1142 . 1 2 2 B 13 13 GLN HA H 718 4.454 4.796 -0.342 1
1 1149 . 1 2 2 B 13 13 GLN CA C 718 55.341 54.063 1.278 1
1 1150 . 1 2 2 B 13 13 GLN CB C 718 29.285 33.081 -3.796 1
1 1152 . 1 2 2 B 13 13 GLN N N 718 121.298 118.246 3.052 1
1 1154 . 1 2 2 B 14 14 THR H H 719 8.257 8.448 -0.191 1
1 1155 . 1 2 2 B 14 14 THR HA H 719 4.438 4.146 0.292 1
1 1160 . 1 2 2 B 14 14 THR CA C 719 61.339 64.434 -3.095 1
1 1161 . 1 2 2 B 14 14 THR CB C 719 69.456 68.834 0.622 1
1 1163 . 1 2 2 B 14 14 THR N N 719 115.154 115.819 -0.665 1
1 1164 . 1 2 2 B 15 15 THR H H 720 8.240 7.826 0.414 1
1 1165 . 1 2 2 B 15 15 THR HA H 720 4.275 4.282 -0.007 1
1 1170 . 1 2 2 B 15 15 THR CA C 720 61.967 61.604 0.363 1
1 1171 . 1 2 2 B 15 15 THR CB C 720 69.183 68.292 0.891 1
1 1173 . 1 2 2 B 15 15 THR N N 720 115.029 114.365 0.664 1
1 1174 . 1 2 2 B 16 16 ASP H H 721 8.293 8.333 -0.040 1
1 1175 . 1 2 2 B 16 16 ASP HA H 721 4.494 4.928 -0.434 1
1 1178 . 1 2 2 B 16 16 ASP CA C 721 54.880 53.122 1.758 1
1 1179 . 1 2 2 B 16 16 ASP CB C 721 40.891 42.206 -1.315 1
1 1180 . 1 2 2 B 16 16 ASP N N 721 122.427 121.027 1.400 1
1 1181 . 1 2 2 B 17 17 ASN H H 722 8.272 7.938 0.334 1
1 1182 . 1 2 2 B 17 17 ASN HA H 722 4.577 4.990 -0.413 1
1 1187 . 1 2 2 B 17 17 ASN CA C 722 53.330 52.184 1.146 1
1 1188 . 1 2 2 B 17 17 ASN CB C 722 38.332 39.595 -1.263 1
1 1189 . 1 2 2 B 17 17 ASN N N 722 118.916 117.736 1.180 1
1 1191 . 1 2 2 B 18 18 LEU H H 723 8.204 7.701 0.503 1
1 1192 . 1 2 2 B 18 18 LEU HA H 723 4.191 4.182 0.009 1
1 1202 . 1 2 2 B 18 18 LEU CA C 723 54.200 57.008 -2.808 1
1 1203 . 1 2 2 B 18 18 LEU CB C 723 43.545 41.467 2.078 1
1 1207 . 1 2 2 B 18 18 LEU N N 723 121.173 119.049 2.124 1
1 1208 . 1 2 2 B 19 19 LEU H H 724 7.416 7.454 -0.038 1
1 1209 . 1 2 2 B 19 19 LEU HA H 724 4.273 4.320 -0.047 1
1 1219 . 1 2 2 B 19 19 LEU CA C 724 52.415 54.005 -1.590 1
1 1220 . 1 2 2 B 19 19 LEU CB C 724 40.471 42.199 -1.728 1
1 1224 . 1 2 2 B 19 19 LEU N N 724 117.286 121.979 -4.693 1
1 1225 . 1 2 2 B 20 20 PRO HA H 725 4.271 4.489 -0.218 1
1 1232 . 1 2 2 B 20 20 PRO CA C 725 63.877 64.120 -0.243 1
1 1233 . 1 2 2 B 20 20 PRO CB C 725 32.716 31.889 0.827 1
1 1236 . 1 2 2 B 21 21 MET H H 726 8.932 7.591 1.341 1
1 1237 . 1 2 2 B 21 21 MET HA H 726 4.841 4.797 0.044 1
1 1245 . 1 2 2 B 21 21 MET CA C 726 54.199 54.404 -0.205 1
1 1246 . 1 2 2 B 21 21 MET CB C 726 36.939 36.253 0.686 1
1 1249 . 1 2 2 B 21 21 MET N N 726 116.784 119.308 -2.524 1
1 1250 . 1 2 2 B 22 22 SER H H 727 8.956 9.168 -0.212 1
1 1251 . 1 2 2 B 22 22 SER HA H 727 4.771 4.692 0.079 1
1 1254 . 1 2 2 B 22 22 SER CA C 727 56.255 57.059 -0.804 1
1 1255 . 1 2 2 B 22 22 SER CB C 727 62.528 62.927 -0.399 1
1 1256 . 1 2 2 B 22 22 SER N N 727 119.167 120.967 -1.800 1
1 1257 . 1 2 2 B 23 23 PRO HA H 728 4.312 4.356 -0.044 1
1 1264 . 1 2 2 B 23 23 PRO CA C 728 65.953 65.748 0.205 1
1 1265 . 1 2 2 B 23 23 PRO CB C 728 31.810 31.772 0.038 1
1 1268 . 1 2 2 B 24 24 GLU H H 729 8.877 8.453 0.424 1
1 1269 . 1 2 2 B 24 24 GLU HA H 729 4.163 4.074 0.089 1
1 1274 . 1 2 2 B 24 24 GLU CA C 729 59.748 60.068 -0.320 1
1 1275 . 1 2 2 B 24 24 GLU CB C 729 28.819 28.877 -0.058 1
1 1277 . 1 2 2 B 24 24 GLU N N 729 116.283 117.673 -1.390 1
1 1278 . 1 2 2 B 25 25 GLU H H 730 7.789 8.008 -0.219 1
1 1279 . 1 2 2 B 25 25 GLU HA H 730 3.787 4.053 -0.266 1
1 1284 . 1 2 2 B 25 25 GLU CA C 730 59.266 59.058 0.208 1
1 1285 . 1 2 2 B 25 25 GLU CB C 730 29.501 29.620 -0.119 1
1 1287 . 1 2 2 B 25 25 GLU N N 730 121.298 120.508 0.790 1
1 1288 . 1 2 2 B 26 26 PHE H H 731 8.730 8.643 0.087 1
1 1289 . 1 2 2 B 26 26 PHE HA H 731 4.364 4.188 0.176 1
1 1296 . 1 2 2 B 26 26 PHE CA C 731 59.724 61.274 -1.550 1
1 1297 . 1 2 2 B 26 26 PHE CB C 731 38.230 39.374 -1.144 1
1 1300 . 1 2 2 B 26 26 PHE N N 731 119.543 121.485 -1.942 1
1 1301 . 1 2 2 B 27 27 ASP H H 732 8.587 8.669 -0.082 1
1 1302 . 1 2 2 B 27 27 ASP HA H 732 4.097 4.268 -0.171 1
1 1305 . 1 2 2 B 27 27 ASP CA C 732 57.256 57.800 -0.544 1
1 1306 . 1 2 2 B 27 27 ASP CB C 732 40.421 41.511 -1.090 1
1 1307 . 1 2 2 B 27 27 ASP N N 732 121.549 118.721 2.828 1
1 1308 . 1 2 2 B 28 28 GLU H H 733 7.383 7.845 -0.462 1
1 1309 . 1 2 2 B 28 28 GLU HA H 733 4.155 4.094 0.061 1
1 1314 . 1 2 2 B 28 28 GLU CA C 733 58.749 58.944 -0.195 1
1 1315 . 1 2 2 B 28 28 GLU CB C 733 28.933 29.405 -0.472 1
1 1317 . 1 2 2 B 28 28 GLU N N 733 119.793 119.454 0.339 1
1 1318 . 1 2 2 B 29 29 VAL H H 734 8.246 8.019 0.227 1
1 1319 . 1 2 2 B 29 29 VAL HA H 734 3.595 3.466 0.129 1
1 1327 . 1 2 2 B 29 29 VAL CA C 734 66.219 66.202 0.017 1
1 1328 . 1 2 2 B 29 29 VAL CB C 734 31.362 31.744 -0.382 1
1 1331 . 1 2 2 B 29 29 VAL N N 734 118.540 120.783 -2.243 1
1 1332 . 1 2 2 B 30 30 SER H H 735 8.384 8.487 -0.103 1
1 1333 . 1 2 2 B 30 30 SER HA H 735 3.912 3.808 0.104 1
1 1336 . 1 2 2 B 30 30 SER CA C 735 61.703 62.349 -0.646 1
1 1337 . 1 2 2 B 30 30 SER CB C 735 62.059 62.529 -0.470 1
1 1338 . 1 2 2 B 30 30 SER N N 735 115.154 113.759 1.395 1
1 1339 . 1 2 2 B 31 31 ARG H H 736 7.683 7.621 0.062 1
1 1340 . 1 2 2 B 31 31 ARG HA H 736 4.027 4.033 -0.006 1
1 1348 . 1 2 2 B 31 31 ARG CA C 736 58.571 58.960 -0.389 1
1 1349 . 1 2 2 B 31 31 ARG CB C 736 30.068 29.757 0.311 1
1 1352 . 1 2 2 B 31 31 ARG N N 736 121.549 121.707 -0.158 1
1 1354 . 1 2 2 B 32 32 ILE H H 737 7.703 7.384 0.319 1
1 1355 . 1 2 2 B 32 32 ILE HA H 737 3.859 3.822 0.037 1
1 1365 . 1 2 2 B 32 32 ILE CA C 737 63.445 64.432 -0.987 1
1 1366 . 1 2 2 B 32 32 ILE CB C 737 38.332 37.787 0.545 1
1 1370 . 1 2 2 B 32 32 ILE N N 737 119.167 120.669 -1.502 1
1 1371 . 1 2 2 B 33 33 VAL H H 738 8.293 7.812 0.481 1
1 1372 . 1 2 2 B 33 33 VAL HA H 738 3.901 3.834 0.067 1
1 1380 . 1 2 2 B 33 33 VAL CA C 738 63.805 65.170 -1.365 1
1 1381 . 1 2 2 B 33 33 VAL CB C 738 32.408 31.718 0.690 1
1 1384 . 1 2 2 B 33 33 VAL N N 738 116.157 119.881 -3.724 1
1 1385 . 1 2 2 B 34 34 GLY H H 739 7.868 7.752 0.116 1
1 1386 . 1 2 2 B 34 34 GLY HA2 H 739 3.813 3.817 -0.004 1
1 1387 . 1 2 2 B 34 34 GLY HA3 H 739 4.120 3.846 0.274 1
1 1388 . 1 2 2 B 34 34 GLY CA C 739 44.831 46.654 -1.823 1
1 1389 . 1 2 2 B 34 34 GLY N N 739 108.258 110.632 -2.374 1
1 1390 . 1 2 2 B 35 35 SER H H 740 8.366 8.122 0.244 1
1 1391 . 1 2 2 B 35 35 SER HA H 740 4.389 3.860 0.529 1
1 1394 . 1 2 2 B 35 35 SER CA C 740 58.261 59.053 -0.792 1
1 1395 . 1 2 2 B 35 35 SER CB C 740 62.663 61.611 1.052 1
1 1396 . 1 2 2 B 35 35 SER N N 740 116.408 108.567 7.841 1
1 1397 . 1 2 2 B 36 36 VAL H H 741 7.897 7.599 0.298 1
1 1398 . 1 2 2 B 36 36 VAL HA H 741 4.054 3.838 0.216 1
1 1406 . 1 2 2 B 36 36 VAL CA C 741 61.737 65.889 -4.152 1
1 1407 . 1 2 2 B 36 36 VAL CB C 741 33.084 31.588 1.496 1
1 1410 . 1 2 2 B 36 36 VAL N N 741 122.928 119.065 3.863 1
1 1411 . 1 2 2 B 37 37 GLU H H 742 8.468 8.067 0.401 1
1 1412 . 1 2 2 B 37 37 GLU HA H 742 4.306 4.676 -0.370 1
1 1417 . 1 2 2 B 37 37 GLU CA C 742 55.803 55.875 -0.072 1
1 1418 . 1 2 2 B 37 37 GLU CB C 742 29.029 30.944 -1.915 1
1 1420 . 1 2 2 B 37 37 GLU N N 742 124.057 119.244 4.813 1
1 1421 . 1 2 2 B 38 38 PHE H H 743 8.222 7.931 0.291 1
1 1422 . 1 2 2 B 38 38 PHE HA H 743 4.360 4.112 0.248 1
1 1429 . 1 2 2 B 38 38 PHE CA C 743 59.263 61.787 -2.524 1
1 1430 . 1 2 2 B 38 38 PHE CB C 743 39.524 39.335 0.189 1
1 1433 . 1 2 2 B 38 38 PHE N N 743 122.427 121.711 0.716 1
1 1434 . 1 2 2 B 39 39 ASP H H 744 8.602 8.686 -0.084 1
1 1435 . 1 2 2 B 39 39 ASP HA H 744 4.380 4.439 -0.059 1
1 1438 . 1 2 2 B 39 39 ASP CA C 744 56.495 54.669 1.826 1
1 1439 . 1 2 2 B 39 39 ASP CB C 744 40.119 39.439 0.680 1
1 1440 . 1 2 2 B 39 39 ASP N N 744 120.044 117.000 3.044 1
1 1441 . 1 2 2 B 40 40 SER H H 745 8.143 8.035 0.108 1
1 1442 . 1 2 2 B 40 40 SER HA H 745 4.328 4.776 -0.448 1
1 1445 . 1 2 2 B 40 40 SER CA C 745 59.724 57.123 2.601 1
1 1446 . 1 2 2 B 40 40 SER CB C 745 62.723 64.697 -1.974 1
1 1447 . 1 2 2 B 40 40 SER N N 745 114.527 114.867 -0.340 1
1 1448 . 1 2 2 B 41 41 MET H H 746 7.930 7.810 0.120 1
1 1449 . 1 2 2 B 41 41 MET HA H 746 4.374 4.117 0.257 1
1 1457 . 1 2 2 B 41 41 MET CA C 746 56.244 58.255 -2.011 1
1 1458 . 1 2 2 B 41 41 MET CB C 746 32.502 31.638 0.864 1
1 1461 . 1 2 2 B 41 41 MET N N 746 120.044 121.070 -1.026 1
1 1462 . 1 2 2 B 42 42 MET H H 747 7.784 8.010 -0.226 1
1 1463 . 1 2 2 B 42 42 MET HA H 747 4.232 4.483 -0.251 1
1 1471 . 1 2 2 B 42 42 MET CA C 747 55.830 56.743 -0.913 1
1 1472 . 1 2 2 B 42 42 MET CB C 747 32.502 31.402 1.100 1
1 1475 . 1 2 2 B 42 42 MET N N 747 117.035 118.808 -1.773 1
1 1476 . 1 2 2 B 43 43 ASN H H 748 7.960 7.835 0.125 1
1 1477 . 1 2 2 B 43 43 ASN HA H 748 4.831 4.753 0.078 1
1 1482 . 1 2 2 B 43 43 ASN CA C 748 53.146 54.782 -1.636 1
1 1483 . 1 2 2 B 43 43 ASN CB C 748 38.795 39.231 -0.436 1
1 1484 . 1 2 2 B 43 43 ASN N N 748 117.537 117.966 -0.429 1
1 1486 . 1 2 2 B 44 44 THR H H 749 8.039 7.907 0.132 1
1 1487 . 1 2 2 B 44 44 THR HA H 749 4.432 3.937 0.495 1
1 1492 . 1 2 2 B 44 44 THR CA C 749 61.570 62.613 -1.043 1
1 1493 . 1 2 2 B 44 44 THR CB C 749 69.644 66.762 2.882 1
1 1495 . 1 2 2 B 44 44 THR N N 749 114.026 112.265 1.761 1
1 6 . 2 1 1 A 2 2 PRO HA H 2 4.396 4.296 0.100 1
1 13 . 2 1 1 A 2 2 PRO CA C 2 65.107 66.123 -1.016 1
1 14 . 2 1 1 A 2 2 PRO CB C 2 31.810 31.325 0.485 1
1 17 . 2 1 1 A 3 3 GLN H H 3 8.509 8.363 0.146 1
1 18 . 2 1 1 A 3 3 GLN HA H 3 3.962 4.043 -0.081 1
1 25 . 2 1 1 A 3 3 GLN CA C 3 59.223 58.871 0.352 1
1 26 . 2 1 1 A 3 3 GLN CB C 3 28.119 27.719 0.400 1
1 28 . 2 1 1 A 3 3 GLN N N 3 117.064 117.824 -0.760 1
1 30 . 2 1 1 A 4 4 GLU H H 4 7.950 8.474 -0.524 1
1 31 . 2 1 1 A 4 4 GLU HA H 4 4.105 4.056 0.049 1
1 36 . 2 1 1 A 4 4 GLU CA C 4 58.778 59.361 -0.583 1
1 37 . 2 1 1 A 4 4 GLU CB C 4 29.734 29.192 0.542 1
1 39 . 2 1 1 A 4 4 GLU N N 4 121.574 121.525 0.049 1
1 40 . 2 1 1 A 5 5 SER H H 5 8.511 7.957 0.554 1
1 41 . 2 1 1 A 5 5 SER HA H 5 4.238 4.190 0.048 1
1 44 . 2 1 1 A 5 5 SER CA C 5 61.377 61.133 0.244 1
1 45 . 2 1 1 A 5 5 SER CB C 5 62.351 62.521 -0.170 1
1 46 . 2 1 1 A 5 5 SER N N 5 115.674 114.200 1.474 1
1 47 . 2 1 1 A 6 6 ARG H H 6 8.276 7.627 0.649 1
1 48 . 2 1 1 A 6 6 ARG HA H 6 4.324 4.116 0.208 1
1 55 . 2 1 1 A 6 6 ARG CA C 6 58.988 59.323 -0.335 1
1 56 . 2 1 1 A 6 6 ARG CB C 6 30.426 30.228 0.198 1
1 59 . 2 1 1 A 6 6 ARG N N 6 122.441 121.832 0.609 1
1 60 . 2 1 1 A 7 7 ARG H H 7 8.015 7.744 0.271 1
1 61 . 2 1 1 A 7 7 ARG HA H 7 3.955 4.291 -0.336 1
1 68 . 2 1 1 A 7 7 ARG CA C 7 59.724 59.055 0.669 1
1 69 . 2 1 1 A 7 7 ARG CB C 7 29.965 29.875 0.090 1
1 72 . 2 1 1 A 7 7 ARG N N 7 119.491 119.751 -0.260 1
1 73 . 2 1 1 A 8 8 LEU H H 8 8.158 8.485 -0.327 1
1 74 . 2 1 1 A 8 8 LEU HA H 8 4.161 4.140 0.021 1
1 84 . 2 1 1 A 8 8 LEU CA C 8 57.686 57.394 0.292 1
1 85 . 2 1 1 A 8 8 LEU CB C 8 41.312 41.384 -0.072 1
1 89 . 2 1 1 A 8 8 LEU N N 8 120.359 119.819 0.540 1
1 90 . 2 1 1 A 9 9 SER H H 9 8.090 7.993 0.097 1
1 91 . 2 1 1 A 9 9 SER HA H 9 4.292 4.046 0.246 1
1 94 . 2 1 1 A 9 9 SER CA C 9 61.570 62.596 -1.026 1
1 95 . 2 1 1 A 9 9 SER CB C 9 62.493 62.809 -0.316 1
1 96 . 2 1 1 A 9 9 SER N N 9 116.178 114.822 1.356 1
1 97 . 2 1 1 A 10 10 ILE H H 10 8.396 7.938 0.458 1
1 98 . 2 1 1 A 10 10 ILE HA H 10 3.505 3.598 -0.093 1
1 108 . 2 1 1 A 10 10 ILE CA C 10 65.608 65.038 0.570 1
1 109 . 2 1 1 A 10 10 ILE CB C 10 37.706 37.445 0.261 1
1 113 . 2 1 1 A 10 10 ILE N N 10 122.840 121.276 1.564 1
1 114 . 2 1 1 A 11 11 GLN H H 11 8.142 8.292 -0.150 1
1 115 . 2 1 1 A 11 11 GLN HA H 11 4.032 4.002 0.030 1
1 122 . 2 1 1 A 11 11 GLN CA C 11 59.060 59.084 -0.024 1
1 123 . 2 1 1 A 11 11 GLN CB C 11 27.888 28.364 -0.476 1
1 125 . 2 1 1 A 11 11 GLN N N 11 119.144 118.933 0.211 1
1 127 . 2 1 1 A 12 12 ARG H H 12 8.330 8.230 0.100 1
1 128 . 2 1 1 A 12 12 ARG HA H 12 4.179 4.061 0.118 1
1 135 . 2 1 1 A 12 12 ARG CA C 12 59.494 58.890 0.604 1
1 136 . 2 1 1 A 12 12 ARG CB C 12 29.734 30.174 -0.440 1
1 138 . 2 1 1 A 12 12 ARG N N 12 120.186 117.979 2.207 1
1 139 . 2 1 1 A 13 13 CYS H H 13 8.242 7.936 0.306 1
1 140 . 2 1 1 A 13 13 CYS HA H 13 4.231 4.149 0.082 1
1 143 . 2 1 1 A 13 13 CYS CA C 13 63.289 63.962 -0.673 1
1 144 . 2 1 1 A 13 13 CYS CB C 13 26.505 27.448 -0.943 1
1 145 . 2 1 1 A 13 13 CYS N N 13 121.574 117.864 3.710 1
1 146 . 2 1 1 A 14 14 ILE H H 14 8.493 7.672 0.821 1
1 147 . 2 1 1 A 14 14 ILE HA H 14 3.787 3.556 0.231 1
1 157 . 2 1 1 A 14 14 ILE CA C 14 64.269 65.355 -1.086 1
1 158 . 2 1 1 A 14 14 ILE CB C 14 36.597 37.738 -1.141 1
1 162 . 2 1 1 A 14 14 ILE N N 14 120.012 120.662 -0.650 1
1 163 . 2 1 1 A 15 15 GLN H H 15 8.468 8.117 0.351 1
1 164 . 2 1 1 A 15 15 GLN HA H 15 4.107 3.993 0.114 1
1 171 . 2 1 1 A 15 15 GLN CA C 15 58.969 59.023 -0.054 1
1 172 . 2 1 1 A 15 15 GLN CB C 15 27.843 28.634 -0.791 1
1 174 . 2 1 1 A 15 15 GLN N N 15 119.665 119.022 0.643 1
1 176 . 2 1 1 A 16 16 SER H H 16 8.409 7.900 0.509 1
1 177 . 2 1 1 A 16 16 SER HA H 16 4.424 4.106 0.318 1
1 180 . 2 1 1 A 16 16 SER CA C 16 61.726 62.543 -0.817 1
1 181 . 2 1 1 A 16 16 SER CB C 16 62.564 62.985 -0.421 1
1 182 . 2 1 1 A 16 16 SER N N 16 117.062 116.056 1.006 1
1 183 . 2 1 1 A 17 17 LEU H H 17 8.235 8.286 -0.051 1
1 184 . 2 1 1 A 17 17 LEU HA H 17 4.103 4.097 0.006 1
1 194 . 2 1 1 A 17 17 LEU CA C 17 58.340 57.854 0.486 1
1 195 . 2 1 1 A 17 17 LEU CB C 17 41.961 41.669 0.292 1
1 199 . 2 1 1 A 17 17 LEU N N 17 125.564 122.785 2.779 1
1 200 . 2 1 1 A 18 18 VAL H H 18 8.603 8.104 0.499 1
1 201 . 2 1 1 A 18 18 VAL HA H 18 3.261 3.548 -0.287 1
1 209 . 2 1 1 A 18 18 VAL CA C 18 67.097 66.499 0.598 1
1 210 . 2 1 1 A 18 18 VAL CB C 18 31.589 31.497 0.092 1
1 213 . 2 1 1 A 18 18 VAL N N 18 119.665 118.849 0.816 1
1 214 . 2 1 1 A 19 19 HIS H H 19 8.083 8.220 -0.137 1
1 215 . 2 1 1 A 19 19 HIS HA H 19 4.231 4.176 0.055 1
1 219 . 2 1 1 A 19 19 HIS CA C 19 59.641 60.117 -0.476 1
1 220 . 2 1 1 A 19 19 HIS CB C 19 26.966 29.721 -2.755 1
1 222 . 2 1 1 A 19 19 HIS N N 19 116.094 119.315 -3.221 1
1 223 . 2 1 1 A 20 20 ALA H H 20 8.796 8.485 0.311 1
1 224 . 2 1 1 A 20 20 ALA HA H 20 4.308 3.979 0.329 1
1 228 . 2 1 1 A 20 20 ALA CA C 20 55.341 55.149 0.192 1
1 229 . 2 1 1 A 20 20 ALA CB C 20 20.026 18.272 1.754 1
1 230 . 2 1 1 A 20 20 ALA N N 20 121.747 120.362 1.385 1
1 231 . 2 1 1 A 21 21 CYS H H 21 7.909 7.980 -0.071 1
1 232 . 2 1 1 A 21 21 CYS HA H 21 4.294 4.248 0.046 1
1 235 . 2 1 1 A 21 21 CYS CA C 21 61.665 61.747 -0.082 1
1 236 . 2 1 1 A 21 21 CYS CB C 21 26.764 27.054 -0.290 1
1 237 . 2 1 1 A 21 21 CYS N N 21 111.875 115.746 -3.871 1
1 238 . 2 1 1 A 22 22 GLN H H 22 7.357 7.507 -0.150 1
1 239 . 2 1 1 A 22 22 GLN HA H 22 4.531 4.322 0.209 1
1 246 . 2 1 1 A 22 22 GLN CA C 22 54.445 56.137 -1.692 1
1 247 . 2 1 1 A 22 22 GLN CB C 22 30.608 30.321 0.287 1
1 249 . 2 1 1 A 22 22 GLN N N 22 116.021 116.826 -0.805 1
1 251 . 2 1 1 A 23 23 CYS H H 23 7.229 7.555 -0.326 1
1 252 . 2 1 1 A 23 23 CYS HA H 23 3.947 4.311 -0.364 1
1 255 . 2 1 1 A 23 23 CYS CA C 23 59.996 59.286 0.710 1
1 256 . 2 1 1 A 23 23 CYS CB C 23 29.000 28.435 0.565 1
1 257 . 2 1 1 A 23 23 CYS N N 23 124.350 118.773 5.577 1
1 258 . 2 1 1 A 24 24 ARG H H 24 8.966 8.751 0.215 1
1 259 . 2 1 1 A 24 24 ARG HA H 24 4.590 4.587 0.003 1
1 266 . 2 1 1 A 24 24 ARG CA C 24 54.306 55.971 -1.665 1
1 267 . 2 1 1 A 24 24 ARG CB C 24 29.771 32.312 -2.541 1
1 270 . 2 1 1 A 24 24 ARG N N 24 129.729 123.246 6.483 1
1 271 . 2 1 1 A 25 25 ASN H H 25 7.823 7.832 -0.009 1
1 272 . 2 1 1 A 25 25 ASN HA H 25 4.853 4.523 0.330 1
1 277 . 2 1 1 A 25 25 ASN CA C 25 51.372 53.940 -2.568 1
1 278 . 2 1 1 A 25 25 ASN CB C 25 38.727 40.391 -1.664 1
1 279 . 2 1 1 A 25 25 ASN N N 25 120.186 119.563 0.623 1
1 281 . 2 1 1 A 26 26 ALA H H 26 9.248 8.752 0.496 1
1 282 . 2 1 1 A 26 26 ALA HA H 26 4.091 4.135 -0.044 1
1 286 . 2 1 1 A 26 26 ALA CA C 26 54.027 54.267 -0.240 1
1 287 . 2 1 1 A 26 26 ALA CB C 26 18.209 19.046 -0.837 1
1 288 . 2 1 1 A 26 26 ALA N N 26 130.423 127.988 2.435 1
1 289 . 2 1 1 A 27 27 ASN H H 27 8.085 8.111 -0.026 1
1 290 . 2 1 1 A 27 27 ASN HA H 27 4.834 4.986 -0.152 1
1 295 . 2 1 1 A 27 27 ASN CA C 27 51.625 52.251 -0.626 1
1 296 . 2 1 1 A 27 27 ASN CB C 27 38.577 39.416 -0.839 1
1 297 . 2 1 1 A 27 27 ASN N N 27 113.766 115.727 -1.961 1
1 299 . 2 1 1 A 28 28 CYS H H 28 7.209 7.638 -0.429 1
1 300 . 2 1 1 A 28 28 CYS HA H 28 4.053 4.302 -0.249 1
1 303 . 2 1 1 A 28 28 CYS CA C 28 61.312 59.870 1.442 1
1 304 . 2 1 1 A 28 28 CYS CB C 28 29.674 28.873 0.801 1
1 305 . 2 1 1 A 28 28 CYS N N 28 123.309 120.694 2.615 1
1 306 . 2 1 1 A 29 29 SER H H 29 8.922 8.612 0.310 1
1 307 . 2 1 1 A 29 29 SER HA H 29 4.609 4.182 0.427 1
1 310 . 2 1 1 A 29 29 SER CA C 29 57.450 60.952 -3.502 1
1 311 . 2 1 1 A 29 29 SER CB C 29 63.604 62.827 0.777 1
1 312 . 2 1 1 A 29 29 SER N N 29 124.870 120.076 4.794 1
1 313 . 2 1 1 A 30 30 LEU H H 30 8.513 7.595 0.918 1
1 314 . 2 1 1 A 30 30 LEU HA H 30 4.497 4.405 0.092 1
1 324 . 2 1 1 A 30 30 LEU CA C 30 53.980 52.918 1.062 1
1 325 . 2 1 1 A 30 30 LEU CB C 30 40.643 41.663 -1.020 1
1 329 . 2 1 1 A 30 30 LEU N N 30 128.341 125.112 3.229 1
1 330 . 2 1 1 A 31 31 PRO HA H 31 4.329 4.310 0.019 1
1 337 . 2 1 1 A 31 31 PRO CA C 31 65.026 64.639 0.387 1
1 338 . 2 1 1 A 31 31 PRO CB C 31 31.580 32.233 -0.653 1
1 341 . 2 1 1 A 32 32 SER H H 32 8.537 8.124 0.413 1
1 342 . 2 1 1 A 32 32 SER HA H 32 4.287 4.200 0.087 1
1 345 . 2 1 1 A 32 32 SER CA C 32 60.277 61.398 -1.121 1
1 346 . 2 1 1 A 32 32 SER CB C 32 62.277 62.510 -0.233 1
1 347 . 2 1 1 A 32 32 SER N N 32 112.551 111.901 0.650 1
1 348 . 2 1 1 A 33 33 CYS H H 33 7.523 8.117 -0.594 1
1 349 . 2 1 1 A 33 33 CYS HA H 33 4.170 3.955 0.215 1
1 352 . 2 1 1 A 33 33 CYS CA C 33 63.408 62.991 0.417 1
1 353 . 2 1 1 A 33 33 CYS CB C 33 29.503 26.576 2.927 1
1 354 . 2 1 1 A 33 33 CYS N N 33 126.085 120.836 5.249 1
1 355 . 2 1 1 A 34 34 GLN H H 34 8.102 7.893 0.209 1
1 356 . 2 1 1 A 34 34 GLN HA H 34 3.963 4.076 -0.113 1
1 359 . 2 1 1 A 34 34 GLN N N 34 115.711 118.919 -3.208 1
1 361 . 2 1 1 A 35 35 LYS H H 35 8.093 7.815 0.278 1
1 362 . 2 1 1 A 35 35 LYS HA H 35 3.994 4.157 -0.163 1
1 371 . 2 1 1 A 35 35 LYS CA C 35 59.502 58.852 0.650 1
1 372 . 2 1 1 A 35 35 LYS CB C 35 32.273 32.583 -0.310 1
1 376 . 2 1 1 A 35 35 LYS N N 35 117.930 120.474 -2.544 1
1 377 . 2 1 1 A 36 36 MET H H 36 8.237 8.680 -0.443 1
1 378 . 2 1 1 A 36 36 MET HA H 36 4.488 4.092 0.396 1
1 386 . 2 1 1 A 36 36 MET CA C 36 56.725 59.321 -2.596 1
1 387 . 2 1 1 A 36 36 MET CB C 36 30.954 32.669 -1.715 1
1 390 . 2 1 1 A 36 36 MET N N 36 117.062 118.513 -1.451 1
1 391 . 2 1 1 A 37 37 LYS H H 37 9.107 8.047 1.060 1
1 392 . 2 1 1 A 37 37 LYS HA H 37 3.900 4.011 -0.111 1
1 401 . 2 1 1 A 37 37 LYS CA C 37 61.097 60.006 1.091 1
1 402 . 2 1 1 A 37 37 LYS CB C 37 32.947 32.290 0.657 1
1 406 . 2 1 1 A 37 37 LYS N N 37 120.186 119.227 0.959 1
1 407 . 2 1 1 A 38 38 ARG H H 38 7.781 7.920 -0.139 1
1 408 . 2 1 1 A 38 38 ARG HA H 38 4.127 4.092 0.035 1
1 413 . 2 1 1 A 38 38 ARG CA C 38 59.263 59.284 -0.021 1
1 414 . 2 1 1 A 38 38 ARG CB C 38 29.965 29.933 0.032 1
1 416 . 2 1 1 A 38 38 ARG N N 38 118.971 119.667 -0.696 1
1 417 . 2 1 1 A 39 39 VAL H H 39 8.289 7.885 0.404 1
1 418 . 2 1 1 A 39 39 VAL HA H 39 3.539 3.739 -0.200 1
1 426 . 2 1 1 A 39 39 VAL CA C 39 66.989 66.516 0.473 1
1 427 . 2 1 1 A 39 39 VAL CB C 39 31.451 31.746 -0.295 1
1 430 . 2 1 1 A 39 39 VAL N N 39 123.829 119.789 4.040 1
1 431 . 2 1 1 A 40 40 VAL H H 40 8.318 8.380 -0.062 1
1 432 . 2 1 1 A 40 40 VAL HA H 40 3.528 3.788 -0.260 1
1 440 . 2 1 1 A 40 40 VAL CA C 40 67.050 65.276 1.774 1
1 441 . 2 1 1 A 40 40 VAL CB C 40 31.608 31.311 0.297 1
1 444 . 2 1 1 A 40 40 VAL N N 40 119.665 120.327 -0.662 1
1 445 . 2 1 1 A 41 41 GLN H H 41 8.263 8.058 0.205 1
1 446 . 2 1 1 A 41 41 GLN HA H 41 3.974 3.928 0.046 1
1 453 . 2 1 1 A 41 41 GLN CA C 41 58.571 59.230 -0.659 1
1 454 . 2 1 1 A 41 41 GLN CB C 41 28.018 28.379 -0.361 1
1 456 . 2 1 1 A 41 41 GLN N N 41 118.450 121.878 -3.428 1
1 458 . 2 1 1 A 42 42 HIS H H 42 8.309 8.070 0.239 1
1 459 . 2 1 1 A 42 42 HIS HA H 42 4.215 4.338 -0.123 1
1 463 . 2 1 1 A 42 42 HIS CA C 42 59.402 59.329 0.073 1
1 464 . 2 1 1 A 42 42 HIS CB C 42 26.966 30.560 -3.594 1
1 466 . 2 1 1 A 42 42 HIS N N 42 118.971 120.080 -1.109 1
1 467 . 2 1 1 A 43 43 THR H H 43 8.056 7.989 0.067 1
1 468 . 2 1 1 A 43 43 THR HA H 43 3.929 3.706 0.223 1
1 474 . 2 1 1 A 43 43 THR CA C 43 66.101 67.094 -0.993 1
1 475 . 2 1 1 A 43 43 THR CB C 43 69.107 68.203 0.904 1
1 477 . 2 1 1 A 43 43 THR N N 43 114.320 113.233 1.087 1
1 478 . 2 1 1 A 44 44 LYS H H 44 7.531 7.951 -0.420 1
1 479 . 2 1 1 A 44 44 LYS HA H 44 4.085 4.158 -0.073 1
1 488 . 2 1 1 A 44 44 LYS CA C 44 58.682 58.356 0.326 1
1 489 . 2 1 1 A 44 44 LYS CB C 44 32.024 32.208 -0.184 1
1 493 . 2 1 1 A 44 44 LYS N N 44 120.012 118.913 1.099 1
1 494 . 2 1 1 A 45 45 GLY H H 45 7.143 7.699 -0.556 1
1 495 . 2 1 1 A 45 45 GLY HA2 H 45 3.625 4.055 -0.430 1
1 496 . 2 1 1 A 45 45 GLY HA3 H 45 4.387 4.070 0.317 1
1 497 . 2 1 1 A 45 45 GLY CA C 45 44.289 45.466 -1.177 1
1 498 . 2 1 1 A 45 45 GLY N N 45 103.528 106.535 -3.007 1
1 499 . 2 1 1 A 46 46 CYS H H 46 6.988 7.279 -0.291 1
1 500 . 2 1 1 A 46 46 CYS HA H 46 3.955 4.369 -0.414 1
1 503 . 2 1 1 A 46 46 CYS CA C 46 60.654 59.339 1.315 1
1 504 . 2 1 1 A 46 46 CYS CB C 46 29.793 28.069 1.724 1
1 505 . 2 1 1 A 46 46 CYS N N 46 123.656 120.238 3.418 1
1 506 . 2 1 1 A 47 47 LYS H H 47 9.060 9.176 -0.116 1
1 507 . 2 1 1 A 47 47 LYS HA H 47 4.489 4.503 -0.014 1
1 516 . 2 1 1 A 47 47 LYS CA C 47 56.127 56.383 -0.256 1
1 517 . 2 1 1 A 47 47 LYS CB C 47 32.393 32.798 -0.405 1
1 521 . 2 1 1 A 47 47 LYS N N 47 127.820 125.740 2.080 1
1 522 . 2 1 1 A 48 48 ARG H H 48 8.537 7.615 0.922 1
1 523 . 2 1 1 A 48 48 ARG HA H 48 4.330 4.524 -0.194 1
1 530 . 2 1 1 A 48 48 ARG CA C 48 57.648 56.541 1.107 1
1 531 . 2 1 1 A 48 48 ARG CB C 48 31.810 32.187 -0.377 1
1 534 . 2 1 1 A 48 48 ARG N N 48 122.615 115.402 7.213 1
1 535 . 2 1 1 A 49 49 LYS H H 49 8.522 8.068 0.454 1
1 536 . 2 1 1 A 49 49 LYS HA H 49 4.554 4.306 0.248 1
1 545 . 2 1 1 A 49 49 LYS CA C 49 57.417 57.344 0.073 1
1 546 . 2 1 1 A 49 49 LYS CB C 49 31.543 32.745 -1.202 1
1 550 . 2 1 1 A 49 49 LYS N N 49 117.583 119.775 -2.192 1
1 551 . 2 1 1 A 50 50 THR H H 50 7.992 8.762 -0.770 1
1 552 . 2 1 1 A 50 50 THR HA H 50 4.127 3.910 0.217 1
1 557 . 2 1 1 A 50 50 THR CA C 50 63.985 65.817 -1.832 1
1 558 . 2 1 1 A 50 50 THR CB C 50 68.157 68.207 -0.050 1
1 560 . 2 1 1 A 50 50 THR N N 50 113.245 113.298 -0.053 1
1 561 . 2 1 1 A 51 51 ASN H H 51 8.888 8.470 0.418 1
1 562 . 2 1 1 A 51 51 ASN HA H 51 4.665 4.489 0.176 1
1 567 . 2 1 1 A 51 51 ASN CA C 51 54.159 55.981 -1.822 1
1 568 . 2 1 1 A 51 51 ASN CB C 51 37.857 38.217 -0.360 1
1 570 . 2 1 1 A 52 52 GLY H H 52 7.972 7.994 -0.022 1
1 571 . 2 1 1 A 52 52 GLY HA2 H 52 3.893 3.932 -0.039 1
1 572 . 2 1 1 A 52 52 GLY HA3 H 52 4.101 3.935 0.166 1
1 573 . 2 1 1 A 52 52 GLY CA C 52 45.368 45.715 -0.347 1
1 574 . 2 1 1 A 52 52 GLY N N 52 106.651 106.865 -0.214 1
1 575 . 2 1 1 A 53 53 GLY H H 53 7.765 7.955 -0.190 1
1 576 . 2 1 1 A 53 53 GLY HA2 H 53 3.837 4.062 -0.225 1
1 577 . 2 1 1 A 53 53 GLY HA3 H 53 4.079 4.063 0.016 1
1 578 . 2 1 1 A 53 53 GLY CA C 53 45.227 44.904 0.323 1
1 579 . 2 1 1 A 53 53 GLY N N 53 107.519 106.930 0.589 1
1 580 . 2 1 1 A 54 54 CYS H H 54 8.099 8.077 0.022 1
1 581 . 2 1 1 A 54 54 CYS HA H 54 4.720 4.536 0.184 1
1 584 . 2 1 1 A 54 54 CYS CA C 54 55.572 57.484 -1.912 1
1 585 . 2 1 1 A 54 54 CYS CB C 54 30.216 28.800 1.416 1
1 586 . 2 1 1 A 54 54 CYS N N 54 122.615 119.823 2.792 1
1 587 . 2 1 1 A 55 55 PRO HA H 55 4.237 4.465 -0.228 1
1 594 . 2 1 1 A 55 55 PRO CA C 55 64.757 64.097 0.660 1
1 595 . 2 1 1 A 55 55 PRO CB C 55 32.311 32.017 0.294 1
1 598 . 2 1 1 A 56 56 VAL H H 56 7.645 7.197 0.448 1
1 599 . 2 1 1 A 56 56 VAL HA H 56 3.384 3.719 -0.335 1
1 607 . 2 1 1 A 56 56 VAL CA C 56 66.184 65.937 0.247 1
1 608 . 2 1 1 A 56 56 VAL CB C 56 32.502 31.640 0.862 1
1 611 . 2 1 1 A 56 56 VAL N N 56 121.227 116.424 4.803 1
1 612 . 2 1 1 A 57 57 CYS H H 57 8.565 7.796 0.769 1
1 613 . 2 1 1 A 57 57 CYS HA H 57 4.034 4.057 -0.023 1
1 616 . 2 1 1 A 57 57 CYS CA C 57 65.746 63.526 2.220 1
1 617 . 2 1 1 A 57 57 CYS CB C 57 29.273 27.113 2.160 1
1 618 . 2 1 1 A 57 57 CYS N N 57 122.615 117.856 4.759 1
1 619 . 2 1 1 A 58 58 LYS H H 58 7.956 7.809 0.147 1
1 620 . 2 1 1 A 58 58 LYS HA H 58 3.874 3.843 0.031 1
1 629 . 2 1 1 A 58 58 LYS CA C 58 59.955 59.371 0.584 1
1 630 . 2 1 1 A 58 58 LYS CB C 58 32.272 32.178 0.094 1
1 634 . 2 1 1 A 58 58 LYS N N 58 116.889 121.057 -4.168 1
1 635 . 2 1 1 A 59 59 GLN H H 59 7.359 7.833 -0.474 1
1 636 . 2 1 1 A 59 59 GLN HA H 59 3.789 4.079 -0.290 1
1 643 . 2 1 1 A 59 59 GLN CA C 59 60.647 58.506 2.141 1
1 644 . 2 1 1 A 59 59 GLN CB C 59 27.196 28.397 -1.201 1
1 646 . 2 1 1 A 59 59 GLN N N 59 116.889 118.583 -1.694 1
1 648 . 2 1 1 A 60 60 LEU H H 60 8.303 7.879 0.424 1
1 649 . 2 1 1 A 60 60 LEU HA H 60 4.093 3.989 0.104 1
1 659 . 2 1 1 A 60 60 LEU CA C 60 58.110 57.940 0.170 1
1 660 . 2 1 1 A 60 60 LEU CB C 60 40.807 41.827 -1.020 1
1 664 . 2 1 1 A 60 60 LEU N N 60 118.103 119.435 -1.332 1
1 665 . 2 1 1 A 61 61 ILE H H 61 8.804 8.045 0.759 1
1 666 . 2 1 1 A 61 61 ILE HA H 61 3.801 3.496 0.305 1
1 676 . 2 1 1 A 61 61 ILE CA C 61 63.416 65.582 -2.166 1
1 677 . 2 1 1 A 61 61 ILE CB C 61 36.886 37.372 -0.486 1
1 681 . 2 1 1 A 61 61 ILE N N 61 118.624 118.669 -0.045 1
1 682 . 2 1 1 A 62 62 ALA H H 62 7.796 7.686 0.110 1
1 683 . 2 1 1 A 62 62 ALA HA H 62 4.058 4.073 -0.015 1
1 687 . 2 1 1 A 62 62 ALA CA C 62 56.030 55.439 0.591 1
1 688 . 2 1 1 A 62 62 ALA CB C 62 18.068 18.562 -0.494 1
1 689 . 2 1 1 A 62 62 ALA N N 62 124.003 122.648 1.355 1
1 690 . 2 1 1 A 63 63 LEU H H 63 8.011 7.938 0.073 1
1 691 . 2 1 1 A 63 63 LEU HA H 63 4.077 4.087 -0.010 1
1 701 . 2 1 1 A 63 63 LEU CA C 63 58.110 57.851 0.259 1
1 702 . 2 1 1 A 63 63 LEU CB C 63 42.116 41.328 0.788 1
1 706 . 2 1 1 A 63 63 LEU N N 63 117.583 119.327 -1.744 1
1 707 . 2 1 1 A 64 64 CYS H H 64 8.818 8.673 0.145 1
1 708 . 2 1 1 A 64 64 CYS HA H 64 4.053 4.234 -0.181 1
1 711 . 2 1 1 A 64 64 CYS CA C 64 64.800 62.875 1.925 1
1 712 . 2 1 1 A 64 64 CYS CB C 64 26.504 26.625 -0.121 1
1 713 . 2 1 1 A 64 64 CYS N N 64 118.277 117.024 1.253 1
1 714 . 2 1 1 A 65 65 CYS H H 65 8.793 8.701 0.092 1
1 715 . 2 1 1 A 65 65 CYS HA H 65 4.258 4.115 0.143 1
1 718 . 2 1 1 A 65 65 CYS CA C 65 63.646 63.855 -0.209 1
1 719 . 2 1 1 A 65 65 CYS CB C 65 26.966 26.536 0.430 1
1 720 . 2 1 1 A 65 65 CYS N N 65 118.971 118.937 0.034 1
1 721 . 2 1 1 A 66 66 TYR H H 66 8.369 8.325 0.044 1
1 722 . 2 1 1 A 66 66 TYR HA H 66 4.034 4.193 -0.159 1
1 729 . 2 1 1 A 66 66 TYR CA C 66 60.886 61.664 -0.778 1
1 730 . 2 1 1 A 66 66 TYR CB C 66 37.808 38.802 -0.994 1
1 733 . 2 1 1 A 66 66 TYR N N 66 121.574 122.526 -0.952 1
1 734 . 2 1 1 A 67 67 HIS H H 67 8.633 7.661 0.972 1
1 735 . 2 1 1 A 67 67 HIS HA H 67 4.318 4.348 -0.030 1
1 740 . 2 1 1 A 67 67 HIS CA C 67 58.998 59.964 -0.966 1
1 741 . 2 1 1 A 67 67 HIS CB C 67 27.409 30.246 -2.837 1
1 744 . 2 1 1 A 67 67 HIS N N 67 117.409 119.150 -1.741 1
1 745 . 2 1 1 A 68 68 ALA H H 68 8.725 8.798 -0.073 1
1 746 . 2 1 1 A 68 68 ALA HA H 68 4.019 3.906 0.113 1
1 750 . 2 1 1 A 68 68 ALA CA C 68 54.690 55.350 -0.660 1
1 751 . 2 1 1 A 68 68 ALA CB C 68 19.964 18.324 1.640 1
1 752 . 2 1 1 A 68 68 ALA N N 68 122.094 120.794 1.300 1
1 753 . 2 1 1 A 69 69 LYS H H 69 7.362 7.813 -0.451 1
1 754 . 2 1 1 A 69 69 LYS HA H 69 3.736 3.968 -0.232 1
1 763 . 2 1 1 A 69 69 LYS CA C 69 58.137 58.891 -0.754 1
1 764 . 2 1 1 A 69 69 LYS CB C 69 32.224 31.983 0.241 1
1 768 . 2 1 1 A 69 69 LYS N N 69 114.807 116.083 -1.276 1
1 769 . 2 1 1 A 70 70 HIS H H 70 7.011 7.571 -0.560 1
1 770 . 2 1 1 A 70 70 HIS HA H 70 4.697 4.310 0.387 1
1 774 . 2 1 1 A 70 70 HIS CA C 70 54.835 58.828 -3.993 1
1 775 . 2 1 1 A 70 70 HIS CB C 70 30.477 30.034 0.443 1
1 777 . 2 1 1 A 70 70 HIS N N 70 112.898 117.483 -4.585 1
1 778 . 2 1 1 A 71 71 CYS H H 71 7.012 7.238 -0.226 1
1 779 . 2 1 1 A 71 71 CYS HA H 71 4.032 4.279 -0.247 1
1 782 . 2 1 1 A 71 71 CYS CA C 71 59.948 59.238 0.710 1
1 783 . 2 1 1 A 71 71 CYS CB C 71 29.752 28.634 1.118 1
1 784 . 2 1 1 A 71 71 CYS N N 71 123.829 118.384 5.445 1
1 785 . 2 1 1 A 72 72 GLN H H 72 9.181 8.841 0.340 1
1 786 . 2 1 1 A 72 72 GLN HA H 72 4.674 4.609 0.065 1
1 793 . 2 1 1 A 72 72 GLN CA C 72 54.224 55.650 -1.426 1
1 794 . 2 1 1 A 72 72 GLN CB C 72 29.049 30.692 -1.643 1
1 796 . 2 1 1 A 72 72 GLN N N 72 128.341 122.035 6.306 1
1 798 . 2 1 1 A 73 73 GLU H H 73 8.396 7.789 0.607 1
1 799 . 2 1 1 A 73 73 GLU HA H 73 4.389 4.302 0.087 1
1 804 . 2 1 1 A 73 73 GLU CA C 73 55.341 56.746 -1.405 1
1 805 . 2 1 1 A 73 73 GLU CB C 73 30.239 31.018 -0.779 1
1 807 . 2 1 1 A 73 73 GLU N N 73 123.309 122.140 1.169 1
1 808 . 2 1 1 A 74 74 ASN H H 74 8.921 9.107 -0.186 1
1 809 . 2 1 1 A 74 74 ASN HA H 74 4.538 5.040 -0.502 1
1 814 . 2 1 1 A 74 74 ASN CA C 74 54.666 53.146 1.520 1
1 815 . 2 1 1 A 74 74 ASN CB C 74 38.301 39.430 -1.129 1
1 816 . 2 1 1 A 74 74 ASN N N 74 124.870 121.986 2.884 1
1 818 . 2 1 1 A 75 75 LYS H H 75 8.847 7.858 0.989 1
1 819 . 2 1 1 A 75 75 LYS HA H 75 4.442 4.652 -0.210 1
1 828 . 2 1 1 A 75 75 LYS CA C 75 54.327 55.425 -1.098 1
1 829 . 2 1 1 A 75 75 LYS CB C 75 30.837 33.038 -2.201 1
1 833 . 2 1 1 A 75 75 LYS N N 75 121.574 116.860 4.714 1
1 834 . 2 1 1 A 76 76 CYS H H 76 7.191 7.361 -0.170 1
1 835 . 2 1 1 A 76 76 CYS HA H 76 4.389 4.453 -0.064 1
1 838 . 2 1 1 A 76 76 CYS CA C 76 57.270 57.786 -0.516 1
1 839 . 2 1 1 A 76 76 CYS CB C 76 30.613 28.117 2.496 1
1 840 . 2 1 1 A 76 76 CYS N N 76 124.350 121.572 2.778 1
1 841 . 2 1 1 A 77 77 PRO HA H 77 4.673 4.448 0.225 1
1 848 . 2 1 1 A 77 77 PRO CA C 77 62.878 64.435 -1.557 1
1 849 . 2 1 1 A 77 77 PRO CB C 77 31.950 32.050 -0.100 1
1 852 . 2 1 1 A 78 78 VAL H H 78 8.974 7.726 1.248 1
1 853 . 2 1 1 A 78 78 VAL HA H 78 4.187 4.175 0.012 1
1 861 . 2 1 1 A 78 78 VAL CA C 78 61.637 61.076 0.561 1
1 862 . 2 1 1 A 78 78 VAL CB C 78 31.654 32.246 -0.592 1
1 865 . 2 1 1 A 78 78 VAL N N 78 128.688 119.541 9.147 1
1 866 . 2 1 1 A 79 79 PRO HA H 79 3.938 4.211 -0.273 1
1 873 . 2 1 1 A 79 79 PRO CA C 79 63.962 65.324 -1.362 1
1 874 . 2 1 1 A 79 79 PRO CB C 79 30.887 31.780 -0.893 1
1 877 . 2 1 1 A 80 80 PHE HA H 80 4.350 4.263 0.087 1
1 884 . 2 1 1 A 80 80 PHE CA C 80 59.032 60.273 -1.241 1
1 885 . 2 1 1 A 80 80 PHE CB C 80 37.686 38.302 -0.616 1
1 888 . 2 1 1 A 81 81 CYS H H 81 7.686 8.206 -0.520 1
1 889 . 2 1 1 A 81 81 CYS HA H 81 4.001 4.067 -0.066 1
1 892 . 2 1 1 A 81 81 CYS CA C 81 64.779 62.494 2.285 1
1 893 . 2 1 1 A 81 81 CYS CB C 81 29.524 26.614 2.910 1
1 894 . 2 1 1 A 81 81 CYS N N 81 124.176 118.706 5.470 1
1 895 . 2 1 1 A 82 82 LEU H H 82 8.267 8.160 0.107 1
1 896 . 2 1 1 A 82 82 LEU HA H 82 4.010 3.486 0.524 1
1 906 . 2 1 1 A 82 82 LEU CA C 82 58.340 57.815 0.525 1
1 907 . 2 1 1 A 82 82 LEU CB C 82 40.862 41.274 -0.412 1
1 911 . 2 1 1 A 82 82 LEU N N 82 114.980 121.133 -6.153 1
1 912 . 2 1 1 A 83 83 ASN H H 83 7.917 8.309 -0.392 1
1 913 . 2 1 1 A 83 83 ASN HA H 83 4.490 4.472 0.018 1
1 918 . 2 1 1 A 83 83 ASN CA C 83 56.061 56.429 -0.368 1
1 919 . 2 1 1 A 83 83 ASN CB C 83 38.494 37.972 0.522 1
1 920 . 2 1 1 A 83 83 ASN N N 83 116.542 116.672 -0.130 1
1 922 . 2 1 1 A 84 84 ILE H H 84 8.788 8.247 0.541 1
1 923 . 2 1 1 A 84 84 ILE HA H 84 3.734 3.791 -0.057 1
1 933 . 2 1 1 A 84 84 ILE CA C 84 65.142 64.960 0.182 1
1 934 . 2 1 1 A 84 84 ILE CB C 84 38.039 37.988 0.051 1
1 938 . 2 1 1 A 84 84 ILE N N 84 121.747 120.217 1.530 1
1 939 . 2 1 1 A 85 85 LYS H H 85 8.954 8.166 0.788 1
1 940 . 2 1 1 A 85 85 LYS HA H 85 3.839 4.091 -0.252 1
1 949 . 2 1 1 A 85 85 LYS CA C 85 60.936 58.732 2.204 1
1 950 . 2 1 1 A 85 85 LYS CB C 85 32.041 32.129 -0.088 1
1 954 . 2 1 1 A 85 85 LYS N N 85 119.665 120.464 -0.799 1
1 955 . 2 1 1 A 86 86 HIS H H 86 8.043 7.835 0.208 1
1 956 . 2 1 1 A 86 86 HIS HA H 86 4.411 4.277 0.134 1
1 960 . 2 1 1 A 86 86 HIS CA C 86 58.746 59.237 -0.491 1
1 961 . 2 1 1 A 86 86 HIS CB C 86 30.067 29.975 0.092 1
1 963 . 2 1 1 A 86 86 HIS N N 86 116.542 119.218 -2.676 1
1 964 . 2 1 1 A 87 87 LYS H H 87 7.822 7.803 0.019 1
1 965 . 2 1 1 A 87 87 LYS HA H 87 4.158 3.985 0.173 1
1 968 . 2 1 1 A 87 87 LYS CA C 87 57.879 59.222 -1.343 1
1 969 . 2 1 1 A 87 87 LYS N N 87 119.318 119.492 -0.174 1
1 970 . 2 1 1 A 88 88 LEU H H 88 8.405 8.570 -0.165 1
1 971 . 2 1 1 A 88 88 LEU HA H 88 4.194 3.945 0.249 1
1 981 . 2 1 1 A 88 88 LEU CA C 88 56.289 58.005 -1.716 1
1 982 . 2 1 1 A 88 88 LEU CB C 88 41.692 41.164 0.528 1
1 986 . 2 1 1 A 88 88 LEU N N 88 119.144 120.018 -0.874 1
1 987 . 2 1 1 A 89 89 ARG H H 89 7.826 8.527 -0.701 1
1 988 . 2 1 1 A 89 89 ARG HA H 89 4.271 3.903 0.368 1
1 995 . 2 1 1 A 89 89 ARG CA C 89 56.666 59.784 -3.118 1
1 996 . 2 1 1 A 89 89 ARG CB C 89 29.965 29.881 0.084 1
1 999 . 2 1 1 A 89 89 ARG N N 89 118.450 118.580 -0.130 1
1 1000 . 2 1 1 A 90 90 GLN H H 90 7.935 7.575 0.360 1
1 1001 . 2 1 1 A 90 90 GLN HA H 90 4.270 4.154 0.116 1
1 1008 . 2 1 1 A 90 90 GLN CA C 90 55.840 58.884 -3.044 1
1 1009 . 2 1 1 A 90 90 GLN CB C 90 28.989 28.411 0.578 1
1 1011 . 2 1 1 A 90 90 GLN N N 90 119.318 119.041 0.277 1
1 1013 . 2 1 1 A 91 91 GLN H H 91 8.141 7.751 0.390 1
1 1014 . 2 1 1 A 91 91 GLN HA H 91 4.352 4.077 0.275 1
1 1021 . 2 1 1 A 91 91 GLN CA C 91 55.581 58.972 -3.391 1
1 1022 . 2 1 1 A 91 91 GLN CB C 91 29.284 28.317 0.967 1
1 1024 . 2 1 1 A 91 91 GLN N N 91 120.706 120.246 0.460 1
1 1043 . 2 2 2 B 2 2 SER CB C 707 63.646 63.549 0.097 1
1 1044 . 2 2 2 B 3 3 HIS HA H 708 4.663 5.158 -0.495 1
1 1047 . 2 2 2 B 3 3 HIS CA C 708 56.033 54.425 1.608 1
1 1048 . 2 2 2 B 3 3 HIS CB C 708 30.146 34.419 -4.273 1
1 1053 . 2 2 2 B 5 5 SER H H 710 8.437 8.675 -0.238 1
1 1054 . 2 2 2 B 5 5 SER HA H 710 4.429 4.526 -0.097 1
1 1057 . 2 2 2 B 5 5 SER CA C 710 58.340 58.615 -0.275 1
1 1058 . 2 2 2 B 5 5 SER CB C 710 63.416 63.807 -0.391 1
1 1059 . 2 2 2 B 5 5 SER N N 710 117.160 116.526 0.634 1
1 1060 . 2 2 2 B 6 6 GLU H H 711 8.458 8.372 0.086 1
1 1061 . 2 2 2 B 6 6 GLU HA H 711 4.311 4.434 -0.123 1
1 1066 . 2 2 2 B 6 6 GLU CA C 711 56.033 56.782 -0.749 1
1 1067 . 2 2 2 B 6 6 GLU CB C 711 30.223 30.724 -0.501 1
1 1069 . 2 2 2 B 6 6 GLU N N 711 123.053 124.018 -0.965 1
1 1070 . 2 2 2 B 7 7 VAL H H 712 8.150 8.787 -0.637 1
1 1071 . 2 2 2 B 7 7 VAL HA H 712 4.050 5.062 -1.012 1
1 1079 . 2 2 2 B 7 7 VAL CA C 712 61.801 58.915 2.886 1
1 1080 . 2 2 2 B 7 7 VAL CB C 712 32.041 36.309 -4.268 1
1 1083 . 2 2 2 B 7 7 VAL N N 712 121.173 119.787 1.386 1
1 1084 . 2 2 2 B 8 8 HIS H H 713 8.495 8.677 -0.182 1
1 1085 . 2 2 2 B 8 8 HIS HA H 713 4.914 5.034 -0.120 1
1 1089 . 2 2 2 B 8 8 HIS CA C 713 53.945 53.442 0.503 1
1 1090 . 2 2 2 B 8 8 HIS CB C 713 30.218 30.489 -0.271 1
1 1092 . 2 2 2 B 8 8 HIS N N 713 125.310 122.751 2.559 1
1 1093 . 2 2 2 B 9 9 PRO HA H 714 4.430 4.625 -0.195 1
1 1100 . 2 2 2 B 9 9 PRO CA C 714 63.409 62.312 1.097 1
1 1101 . 2 2 2 B 9 9 PRO CB C 714 32.018 33.115 -1.097 1
1 1104 . 2 2 2 B 10 10 SER H H 715 8.889 8.432 0.457 1
1 1105 . 2 2 2 B 10 10 SER HA H 715 4.437 4.163 0.274 1
1 1108 . 2 2 2 B 10 10 SER CA C 715 58.571 59.425 -0.854 1
1 1109 . 2 2 2 B 10 10 SER CB C 715 63.213 62.907 0.306 1
1 1110 . 2 2 2 B 10 10 SER N N 715 116.533 113.701 2.832 1
1 1111 . 2 2 2 B 11 11 ARG H H 716 8.442 7.568 0.874 1
1 1112 . 2 2 2 B 11 11 ARG HA H 716 4.388 4.769 -0.381 1
1 1119 . 2 2 2 B 11 11 ARG CA C 716 55.882 54.447 1.435 1
1 1120 . 2 2 2 B 11 11 ARG CB C 716 30.395 34.641 -4.246 1
1 1123 . 2 2 2 B 11 11 ARG N N 716 122.803 120.191 2.612 1
1 1124 . 2 2 2 B 12 12 LEU H H 717 8.133 8.532 -0.399 1
1 1125 . 2 2 2 B 12 12 LEU HA H 717 4.356 4.612 -0.256 1
1 1135 . 2 2 2 B 12 12 LEU CA C 717 54.880 52.674 2.206 1
1 1136 . 2 2 2 B 12 12 LEU CB C 717 42.081 44.513 -2.432 1
1 1140 . 2 2 2 B 12 12 LEU N N 717 122.552 122.469 0.083 1
1 1141 . 2 2 2 B 13 13 GLN H H 718 8.440 8.971 -0.531 1
1 1142 . 2 2 2 B 13 13 GLN HA H 718 4.454 4.092 0.362 1
1 1149 . 2 2 2 B 13 13 GLN CA C 718 55.341 58.192 -2.851 1
1 1150 . 2 2 2 B 13 13 GLN CB C 718 29.285 27.979 1.306 1
1 1152 . 2 2 2 B 13 13 GLN N N 718 121.298 120.134 1.164 1
1 1154 . 2 2 2 B 14 14 THR H H 719 8.257 8.135 0.122 1
1 1155 . 2 2 2 B 14 14 THR HA H 719 4.438 4.222 0.216 1
1 1160 . 2 2 2 B 14 14 THR CA C 719 61.339 64.453 -3.114 1
1 1161 . 2 2 2 B 14 14 THR CB C 719 69.456 68.765 0.691 1
1 1163 . 2 2 2 B 14 14 THR N N 719 115.154 112.552 2.602 1
1 1164 . 2 2 2 B 15 15 THR H H 720 8.240 7.974 0.266 1
1 1165 . 2 2 2 B 15 15 THR HA H 720 4.275 4.083 0.192 1
1 1170 . 2 2 2 B 15 15 THR CA C 720 61.967 65.861 -3.894 1
1 1171 . 2 2 2 B 15 15 THR CB C 720 69.183 68.413 0.770 1
1 1173 . 2 2 2 B 15 15 THR N N 720 115.029 115.436 -0.407 1
1 1174 . 2 2 2 B 16 16 ASP H H 721 8.293 8.196 0.097 1
1 1175 . 2 2 2 B 16 16 ASP HA H 721 4.494 4.568 -0.074 1
1 1178 . 2 2 2 B 16 16 ASP CA C 721 54.880 56.143 -1.263 1
1 1179 . 2 2 2 B 16 16 ASP CB C 721 40.891 40.476 0.415 1
1 1180 . 2 2 2 B 16 16 ASP N N 721 122.427 121.632 0.795 1
1 1181 . 2 2 2 B 17 17 ASN H H 722 8.272 8.007 0.265 1
1 1182 . 2 2 2 B 17 17 ASN HA H 722 4.577 4.909 -0.332 1
1 1187 . 2 2 2 B 17 17 ASN CA C 722 53.330 52.235 1.095 1
1 1188 . 2 2 2 B 17 17 ASN CB C 722 38.332 38.969 -0.637 1
1 1189 . 2 2 2 B 17 17 ASN N N 722 118.916 118.330 0.586 1
1 1191 . 2 2 2 B 18 18 LEU H H 723 8.204 7.557 0.647 1
1 1192 . 2 2 2 B 18 18 LEU HA H 723 4.191 4.145 0.046 1
1 1202 . 2 2 2 B 18 18 LEU CA C 723 54.200 57.057 -2.857 1
1 1203 . 2 2 2 B 18 18 LEU CB C 723 43.545 41.534 2.011 1
1 1207 . 2 2 2 B 18 18 LEU N N 723 121.173 119.120 2.053 1
1 1208 . 2 2 2 B 19 19 LEU H H 724 7.416 7.477 -0.061 1
1 1209 . 2 2 2 B 19 19 LEU HA H 724 4.273 4.319 -0.046 1
1 1219 . 2 2 2 B 19 19 LEU CA C 724 52.415 53.861 -1.446 1
1 1220 . 2 2 2 B 19 19 LEU CB C 724 40.471 42.175 -1.704 1
1 1224 . 2 2 2 B 19 19 LEU N N 724 117.286 121.470 -4.184 1
1 1225 . 2 2 2 B 20 20 PRO HA H 725 4.271 4.526 -0.255 1
1 1232 . 2 2 2 B 20 20 PRO CA C 725 63.877 64.171 -0.294 1
1 1233 . 2 2 2 B 20 20 PRO CB C 725 32.716 31.682 1.034 1
1 1236 . 2 2 2 B 21 21 MET H H 726 8.932 7.701 1.231 1
1 1237 . 2 2 2 B 21 21 MET HA H 726 4.841 4.960 -0.119 1
1 1245 . 2 2 2 B 21 21 MET CA C 726 54.199 54.216 -0.017 1
1 1246 . 2 2 2 B 21 21 MET CB C 726 36.939 35.715 1.224 1
1 1249 . 2 2 2 B 21 21 MET N N 726 116.784 119.059 -2.275 1
1 1250 . 2 2 2 B 22 22 SER H H 727 8.956 8.940 0.016 1
1 1251 . 2 2 2 B 22 22 SER HA H 727 4.771 4.807 -0.036 1
1 1254 . 2 2 2 B 22 22 SER CA C 727 56.255 55.446 0.809 1
1 1255 . 2 2 2 B 22 22 SER CB C 727 62.528 63.018 -0.490 1
1 1256 . 2 2 2 B 22 22 SER N N 727 119.167 120.598 -1.431 1
1 1257 . 2 2 2 B 23 23 PRO HA H 728 4.312 4.402 -0.090 1
1 1264 . 2 2 2 B 23 23 PRO CA C 728 65.953 65.353 0.600 1
1 1265 . 2 2 2 B 23 23 PRO CB C 728 31.810 32.126 -0.316 1
1 1268 . 2 2 2 B 24 24 GLU H H 729 8.877 8.283 0.594 1
1 1269 . 2 2 2 B 24 24 GLU HA H 729 4.163 4.071 0.092 1
1 1274 . 2 2 2 B 24 24 GLU CA C 729 59.748 59.854 -0.106 1
1 1275 . 2 2 2 B 24 24 GLU CB C 729 28.819 29.060 -0.241 1
1 1277 . 2 2 2 B 24 24 GLU N N 729 116.283 117.769 -1.486 1
1 1278 . 2 2 2 B 25 25 GLU H H 730 7.789 7.815 -0.026 1
1 1279 . 2 2 2 B 25 25 GLU HA H 730 3.787 4.063 -0.276 1
1 1284 . 2 2 2 B 25 25 GLU CA C 730 59.266 58.796 0.470 1
1 1285 . 2 2 2 B 25 25 GLU CB C 730 29.501 29.850 -0.349 1
1 1287 . 2 2 2 B 25 25 GLU N N 730 121.298 120.420 0.878 1
1 1288 . 2 2 2 B 26 26 PHE H H 731 8.730 8.589 0.141 1
1 1289 . 2 2 2 B 26 26 PHE HA H 731 4.364 4.234 0.130 1
1 1296 . 2 2 2 B 26 26 PHE CA C 731 59.724 61.209 -1.485 1
1 1297 . 2 2 2 B 26 26 PHE CB C 731 38.230 39.282 -1.052 1
1 1300 . 2 2 2 B 26 26 PHE N N 731 119.543 121.317 -1.774 1
1 1301 . 2 2 2 B 27 27 ASP H H 732 8.587 8.474 0.113 1
1 1302 . 2 2 2 B 27 27 ASP HA H 732 4.097 4.234 -0.137 1
1 1305 . 2 2 2 B 27 27 ASP CA C 732 57.256 58.001 -0.745 1
1 1306 . 2 2 2 B 27 27 ASP CB C 732 40.421 41.471 -1.050 1
1 1307 . 2 2 2 B 27 27 ASP N N 732 121.549 118.772 2.777 1
1 1308 . 2 2 2 B 28 28 GLU H H 733 7.383 7.610 -0.227 1
1 1309 . 2 2 2 B 28 28 GLU HA H 733 4.155 4.098 0.057 1
1 1314 . 2 2 2 B 28 28 GLU CA C 733 58.749 58.750 -0.001 1
1 1315 . 2 2 2 B 28 28 GLU CB C 733 28.933 29.172 -0.239 1
1 1317 . 2 2 2 B 28 28 GLU N N 733 119.793 119.637 0.156 1
1 1318 . 2 2 2 B 29 29 VAL H H 734 8.246 7.914 0.332 1
1 1319 . 2 2 2 B 29 29 VAL HA H 734 3.595 3.503 0.092 1
1 1327 . 2 2 2 B 29 29 VAL CA C 734 66.219 66.240 -0.021 1
1 1328 . 2 2 2 B 29 29 VAL CB C 734 31.362 31.722 -0.360 1
1 1331 . 2 2 2 B 29 29 VAL N N 734 118.540 120.913 -2.373 1
1 1332 . 2 2 2 B 30 30 SER H H 735 8.384 8.053 0.331 1
1 1333 . 2 2 2 B 30 30 SER HA H 735 3.912 3.745 0.167 1
1 1336 . 2 2 2 B 30 30 SER CA C 735 61.703 61.272 0.431 1
1 1337 . 2 2 2 B 30 30 SER CB C 735 62.059 62.487 -0.428 1
1 1338 . 2 2 2 B 30 30 SER N N 735 115.154 114.977 0.177 1
1 1339 . 2 2 2 B 31 31 ARG H H 736 7.683 7.848 -0.165 1
1 1340 . 2 2 2 B 31 31 ARG HA H 736 4.027 4.060 -0.033 1
1 1348 . 2 2 2 B 31 31 ARG CA C 736 58.571 58.382 0.189 1
1 1349 . 2 2 2 B 31 31 ARG CB C 736 30.068 29.764 0.304 1
1 1352 . 2 2 2 B 31 31 ARG N N 736 121.549 121.083 0.466 1
1 1354 . 2 2 2 B 32 32 ILE H H 737 7.703 7.220 0.483 1
1 1355 . 2 2 2 B 32 32 ILE HA H 737 3.859 3.926 -0.067 1
1 1365 . 2 2 2 B 32 32 ILE CA C 737 63.445 63.903 -0.458 1
1 1366 . 2 2 2 B 32 32 ILE CB C 737 38.332 37.955 0.377 1
1 1370 . 2 2 2 B 32 32 ILE N N 737 119.167 119.859 -0.692 1
1 1371 . 2 2 2 B 33 33 VAL H H 738 8.293 7.837 0.456 1
1 1372 . 2 2 2 B 33 33 VAL HA H 738 3.901 3.876 0.025 1
1 1380 . 2 2 2 B 33 33 VAL CA C 738 63.805 65.148 -1.343 1
1 1381 . 2 2 2 B 33 33 VAL CB C 738 32.408 31.996 0.412 1
1 1384 . 2 2 2 B 33 33 VAL N N 738 116.157 119.715 -3.558 1
1 1385 . 2 2 2 B 34 34 GLY H H 739 7.868 7.745 0.123 1
1 1386 . 2 2 2 B 34 34 GLY HA2 H 739 3.813 3.836 -0.023 1
1 1387 . 2 2 2 B 34 34 GLY HA3 H 739 4.120 3.866 0.254 1
1 1388 . 2 2 2 B 34 34 GLY CA C 739 44.831 46.469 -1.638 1
1 1389 . 2 2 2 B 34 34 GLY N N 739 108.258 110.106 -1.848 1
1 1390 . 2 2 2 B 35 35 SER H H 740 8.366 8.269 0.097 1
1 1391 . 2 2 2 B 35 35 SER HA H 740 4.389 4.103 0.286 1
1 1394 . 2 2 2 B 35 35 SER CA C 740 58.261 59.452 -1.191 1
1 1395 . 2 2 2 B 35 35 SER CB C 740 62.663 61.566 1.097 1
1 1396 . 2 2 2 B 35 35 SER N N 740 116.408 108.594 7.814 1
1 1397 . 2 2 2 B 36 36 VAL H H 741 7.897 7.488 0.409 1
1 1398 . 2 2 2 B 36 36 VAL HA H 741 4.054 3.914 0.140 1
1 1406 . 2 2 2 B 36 36 VAL CA C 741 61.737 65.702 -3.965 1
1 1407 . 2 2 2 B 36 36 VAL CB C 741 33.084 31.673 1.411 1
1 1410 . 2 2 2 B 36 36 VAL N N 741 122.928 120.390 2.538 1
1 1411 . 2 2 2 B 37 37 GLU H H 742 8.468 8.122 0.346 1
1 1412 . 2 2 2 B 37 37 GLU HA H 742 4.306 4.690 -0.384 1
1 1417 . 2 2 2 B 37 37 GLU CA C 742 55.803 55.886 -0.083 1
1 1418 . 2 2 2 B 37 37 GLU CB C 742 29.029 30.914 -1.885 1
1 1420 . 2 2 2 B 37 37 GLU N N 742 124.057 119.375 4.682 1
1 1421 . 2 2 2 B 38 38 PHE H H 743 8.222 7.812 0.410 1
1 1422 . 2 2 2 B 38 38 PHE HA H 743 4.360 4.084 0.276 1
1 1429 . 2 2 2 B 38 38 PHE CA C 743 59.263 61.895 -2.632 1
1 1430 . 2 2 2 B 38 38 PHE CB C 743 39.524 39.420 0.104 1
1 1433 . 2 2 2 B 38 38 PHE N N 743 122.427 121.751 0.676 1
1 1434 . 2 2 2 B 39 39 ASP H H 744 8.602 8.902 -0.300 1
1 1435 . 2 2 2 B 39 39 ASP HA H 744 4.380 4.513 -0.133 1
1 1438 . 2 2 2 B 39 39 ASP CA C 744 56.495 55.133 1.362 1
1 1439 . 2 2 2 B 39 39 ASP CB C 744 40.119 39.230 0.889 1
1 1440 . 2 2 2 B 39 39 ASP N N 744 120.044 117.824 2.220 1
1 1441 . 2 2 2 B 40 40 SER H H 745 8.143 7.904 0.239 1
1 1442 . 2 2 2 B 40 40 SER HA H 745 4.328 4.746 -0.418 1
1 1445 . 2 2 2 B 40 40 SER CA C 745 59.724 57.819 1.905 1
1 1446 . 2 2 2 B 40 40 SER CB C 745 62.723 64.294 -1.571 1
1 1447 . 2 2 2 B 40 40 SER N N 745 114.527 114.464 0.063 1
1 1448 . 2 2 2 B 41 41 MET H H 746 7.930 7.613 0.317 1
1 1449 . 2 2 2 B 41 41 MET HA H 746 4.374 4.158 0.216 1
1 1457 . 2 2 2 B 41 41 MET CA C 746 56.244 57.942 -1.698 1
1 1458 . 2 2 2 B 41 41 MET CB C 746 32.502 31.496 1.006 1
1 1461 . 2 2 2 B 41 41 MET N N 746 120.044 120.930 -0.886 1
1 1462 . 2 2 2 B 42 42 MET H H 747 7.784 7.917 -0.133 1
1 1463 . 2 2 2 B 42 42 MET HA H 747 4.232 4.474 -0.242 1
1 1471 . 2 2 2 B 42 42 MET CA C 747 55.830 56.287 -0.457 1
1 1472 . 2 2 2 B 42 42 MET CB C 747 32.502 32.122 0.380 1
1 1475 . 2 2 2 B 42 42 MET N N 747 117.035 118.558 -1.523 1
1 1476 . 2 2 2 B 43 43 ASN H H 748 7.960 8.143 -0.183 1
1 1477 . 2 2 2 B 43 43 ASN HA H 748 4.831 4.477 0.354 1
1 1482 . 2 2 2 B 43 43 ASN CA C 748 53.146 55.812 -2.666 1
1 1483 . 2 2 2 B 43 43 ASN CB C 748 38.795 39.709 -0.914 1
1 1484 . 2 2 2 B 43 43 ASN N N 748 117.537 119.857 -2.320 1
1 1486 . 2 2 2 B 44 44 THR H H 749 8.039 7.881 0.158 1
1 1487 . 2 2 2 B 44 44 THR HA H 749 4.432 4.169 0.263 1
1 1492 . 2 2 2 B 44 44 THR CA C 749 61.570 63.839 -2.269 1
1 1493 . 2 2 2 B 44 44 THR CB C 749 69.644 68.784 0.860 1
1 1495 . 2 2 2 B 44 44 THR N N 749 114.026 114.244 -0.218 1
1 6 . 3 1 1 A 2 2 PRO HA H 2 4.396 4.307 0.089 1
1 13 . 3 1 1 A 2 2 PRO CA C 2 65.107 65.883 -0.776 1
1 14 . 3 1 1 A 2 2 PRO CB C 2 31.810 31.411 0.399 1
1 17 . 3 1 1 A 3 3 GLN H H 3 8.509 8.389 0.120 1
1 18 . 3 1 1 A 3 3 GLN HA H 3 3.962 4.176 -0.214 1
1 25 . 3 1 1 A 3 3 GLN CA C 3 59.223 58.102 1.121 1
1 26 . 3 1 1 A 3 3 GLN CB C 3 28.119 28.735 -0.616 1
1 28 . 3 1 1 A 3 3 GLN N N 3 117.064 117.849 -0.785 1
1 30 . 3 1 1 A 4 4 GLU H H 4 7.950 8.319 -0.369 1
1 31 . 3 1 1 A 4 4 GLU HA H 4 4.105 4.063 0.042 1
1 36 . 3 1 1 A 4 4 GLU CA C 4 58.778 59.390 -0.612 1
1 37 . 3 1 1 A 4 4 GLU CB C 4 29.734 29.400 0.334 1
1 39 . 3 1 1 A 4 4 GLU N N 4 121.574 121.650 -0.076 1
1 40 . 3 1 1 A 5 5 SER H H 5 8.511 8.383 0.128 1
1 41 . 3 1 1 A 5 5 SER HA H 5 4.238 4.182 0.056 1
1 44 . 3 1 1 A 5 5 SER CA C 5 61.377 60.948 0.429 1
1 45 . 3 1 1 A 5 5 SER CB C 5 62.351 62.929 -0.578 1
1 46 . 3 1 1 A 5 5 SER N N 5 115.674 114.309 1.365 1
1 47 . 3 1 1 A 6 6 ARG H H 6 8.276 7.929 0.347 1
1 48 . 3 1 1 A 6 6 ARG HA H 6 4.324 4.066 0.258 1
1 55 . 3 1 1 A 6 6 ARG CA C 6 58.988 59.327 -0.339 1
1 56 . 3 1 1 A 6 6 ARG CB C 6 30.426 30.050 0.376 1
1 59 . 3 1 1 A 6 6 ARG N N 6 122.441 121.685 0.756 1
1 60 . 3 1 1 A 7 7 ARG H H 7 8.015 8.030 -0.015 1
1 61 . 3 1 1 A 7 7 ARG HA H 7 3.955 4.205 -0.250 1
1 68 . 3 1 1 A 7 7 ARG CA C 7 59.724 59.024 0.700 1
1 69 . 3 1 1 A 7 7 ARG CB C 7 29.965 29.980 -0.015 1
1 72 . 3 1 1 A 7 7 ARG N N 7 119.491 119.806 -0.315 1
1 73 . 3 1 1 A 8 8 LEU H H 8 8.158 8.427 -0.269 1
1 74 . 3 1 1 A 8 8 LEU HA H 8 4.161 4.044 0.117 1
1 84 . 3 1 1 A 8 8 LEU CA C 8 57.686 57.853 -0.167 1
1 85 . 3 1 1 A 8 8 LEU CB C 8 41.312 41.770 -0.458 1
1 89 . 3 1 1 A 8 8 LEU N N 8 120.359 120.106 0.253 1
1 90 . 3 1 1 A 9 9 SER H H 9 8.090 7.961 0.129 1
1 91 . 3 1 1 A 9 9 SER HA H 9 4.292 4.150 0.142 1
1 94 . 3 1 1 A 9 9 SER CA C 9 61.570 61.471 0.099 1
1 95 . 3 1 1 A 9 9 SER CB C 9 62.493 62.816 -0.323 1
1 96 . 3 1 1 A 9 9 SER N N 9 116.178 113.459 2.719 1
1 97 . 3 1 1 A 10 10 ILE H H 10 8.396 7.958 0.438 1
1 98 . 3 1 1 A 10 10 ILE HA H 10 3.505 3.493 0.012 1
1 108 . 3 1 1 A 10 10 ILE CA C 10 65.608 65.332 0.276 1
1 109 . 3 1 1 A 10 10 ILE CB C 10 37.706 37.218 0.488 1
1 113 . 3 1 1 A 10 10 ILE N N 10 122.840 121.740 1.100 1
1 114 . 3 1 1 A 11 11 GLN H H 11 8.142 8.098 0.044 1
1 115 . 3 1 1 A 11 11 GLN HA H 11 4.032 4.043 -0.011 1
1 122 . 3 1 1 A 11 11 GLN CA C 11 59.060 59.285 -0.225 1
1 123 . 3 1 1 A 11 11 GLN CB C 11 27.888 28.332 -0.444 1
1 125 . 3 1 1 A 11 11 GLN N N 11 119.144 118.286 0.858 1
1 127 . 3 1 1 A 12 12 ARG H H 12 8.330 7.826 0.504 1
1 128 . 3 1 1 A 12 12 ARG HA H 12 4.179 4.012 0.167 1
1 135 . 3 1 1 A 12 12 ARG CA C 12 59.494 59.376 0.118 1
1 136 . 3 1 1 A 12 12 ARG CB C 12 29.734 30.000 -0.266 1
1 138 . 3 1 1 A 12 12 ARG N N 12 120.186 119.077 1.109 1
1 139 . 3 1 1 A 13 13 CYS H H 13 8.242 8.001 0.241 1
1 140 . 3 1 1 A 13 13 CYS HA H 13 4.231 4.129 0.102 1
1 143 . 3 1 1 A 13 13 CYS CA C 13 63.289 63.875 -0.586 1
1 144 . 3 1 1 A 13 13 CYS CB C 13 26.505 27.135 -0.630 1
1 145 . 3 1 1 A 13 13 CYS N N 13 121.574 120.456 1.118 1
1 146 . 3 1 1 A 14 14 ILE H H 14 8.493 8.558 -0.065 1
1 147 . 3 1 1 A 14 14 ILE HA H 14 3.787 3.515 0.272 1
1 157 . 3 1 1 A 14 14 ILE CA C 14 64.269 65.763 -1.494 1
1 158 . 3 1 1 A 14 14 ILE CB C 14 36.597 37.812 -1.215 1
1 162 . 3 1 1 A 14 14 ILE N N 14 120.012 118.995 1.017 1
1 163 . 3 1 1 A 15 15 GLN H H 15 8.468 8.409 0.059 1
1 164 . 3 1 1 A 15 15 GLN HA H 15 4.107 3.983 0.124 1
1 171 . 3 1 1 A 15 15 GLN CA C 15 58.969 59.015 -0.046 1
1 172 . 3 1 1 A 15 15 GLN CB C 15 27.843 28.622 -0.779 1
1 174 . 3 1 1 A 15 15 GLN N N 15 119.665 119.167 0.498 1
1 176 . 3 1 1 A 16 16 SER H H 16 8.409 8.039 0.370 1
1 177 . 3 1 1 A 16 16 SER HA H 16 4.424 4.113 0.311 1
1 180 . 3 1 1 A 16 16 SER CA C 16 61.726 62.554 -0.828 1
1 181 . 3 1 1 A 16 16 SER CB C 16 62.564 62.873 -0.309 1
1 182 . 3 1 1 A 16 16 SER N N 16 117.062 116.045 1.017 1
1 183 . 3 1 1 A 17 17 LEU H H 17 8.235 8.152 0.083 1
1 184 . 3 1 1 A 17 17 LEU HA H 17 4.103 4.090 0.013 1
1 194 . 3 1 1 A 17 17 LEU CA C 17 58.340 57.837 0.503 1
1 195 . 3 1 1 A 17 17 LEU CB C 17 41.961 41.681 0.280 1
1 199 . 3 1 1 A 17 17 LEU N N 17 125.564 123.046 2.518 1
1 200 . 3 1 1 A 18 18 VAL H H 18 8.603 8.335 0.268 1
1 201 . 3 1 1 A 18 18 VAL HA H 18 3.261 3.563 -0.302 1
1 209 . 3 1 1 A 18 18 VAL CA C 18 67.097 66.530 0.567 1
1 210 . 3 1 1 A 18 18 VAL CB C 18 31.589 31.522 0.067 1
1 213 . 3 1 1 A 18 18 VAL N N 18 119.665 118.870 0.795 1
1 214 . 3 1 1 A 19 19 HIS H H 19 8.083 8.307 -0.224 1
1 215 . 3 1 1 A 19 19 HIS HA H 19 4.231 4.159 0.072 1
1 219 . 3 1 1 A 19 19 HIS CA C 19 59.641 60.110 -0.469 1
1 220 . 3 1 1 A 19 19 HIS CB C 19 26.966 29.722 -2.756 1
1 222 . 3 1 1 A 19 19 HIS N N 19 116.094 119.363 -3.269 1
1 223 . 3 1 1 A 20 20 ALA H H 20 8.796 8.418 0.378 1
1 224 . 3 1 1 A 20 20 ALA HA H 20 4.308 3.999 0.309 1
1 228 . 3 1 1 A 20 20 ALA CA C 20 55.341 55.225 0.116 1
1 229 . 3 1 1 A 20 20 ALA CB C 20 20.026 18.253 1.773 1
1 230 . 3 1 1 A 20 20 ALA N N 20 121.747 120.418 1.329 1
1 231 . 3 1 1 A 21 21 CYS H H 21 7.909 7.997 -0.088 1
1 232 . 3 1 1 A 21 21 CYS HA H 21 4.294 4.223 0.071 1
1 235 . 3 1 1 A 21 21 CYS CA C 21 61.665 61.289 0.376 1
1 236 . 3 1 1 A 21 21 CYS CB C 21 26.764 27.002 -0.238 1
1 237 . 3 1 1 A 21 21 CYS N N 21 111.875 115.760 -3.885 1
1 238 . 3 1 1 A 22 22 GLN H H 22 7.357 7.809 -0.452 1
1 239 . 3 1 1 A 22 22 GLN HA H 22 4.531 4.398 0.133 1
1 246 . 3 1 1 A 22 22 GLN CA C 22 54.445 56.118 -1.673 1
1 247 . 3 1 1 A 22 22 GLN CB C 22 30.608 30.897 -0.289 1
1 249 . 3 1 1 A 22 22 GLN N N 22 116.021 117.146 -1.125 1
1 251 . 3 1 1 A 23 23 CYS H H 23 7.229 7.525 -0.296 1
1 252 . 3 1 1 A 23 23 CYS HA H 23 3.947 4.331 -0.384 1
1 255 . 3 1 1 A 23 23 CYS CA C 23 59.996 59.410 0.586 1
1 256 . 3 1 1 A 23 23 CYS CB C 23 29.000 28.519 0.481 1
1 257 . 3 1 1 A 23 23 CYS N N 23 124.350 118.775 5.575 1
1 258 . 3 1 1 A 24 24 ARG H H 24 8.966 8.698 0.268 1
1 259 . 3 1 1 A 24 24 ARG HA H 24 4.590 4.596 -0.006 1
1 266 . 3 1 1 A 24 24 ARG CA C 24 54.306 55.911 -1.605 1
1 267 . 3 1 1 A 24 24 ARG CB C 24 29.771 32.238 -2.467 1
1 270 . 3 1 1 A 24 24 ARG N N 24 129.729 123.094 6.635 1
1 271 . 3 1 1 A 25 25 ASN H H 25 7.823 7.008 0.815 1
1 272 . 3 1 1 A 25 25 ASN HA H 25 4.853 4.658 0.195 1
1 277 . 3 1 1 A 25 25 ASN CA C 25 51.372 53.623 -2.251 1
1 278 . 3 1 1 A 25 25 ASN CB C 25 38.727 39.130 -0.403 1
1 279 . 3 1 1 A 25 25 ASN N N 25 120.186 118.689 1.497 1
1 281 . 3 1 1 A 26 26 ALA H H 26 9.248 8.867 0.381 1
1 282 . 3 1 1 A 26 26 ALA HA H 26 4.091 4.062 0.029 1
1 286 . 3 1 1 A 26 26 ALA CA C 26 54.027 54.759 -0.732 1
1 287 . 3 1 1 A 26 26 ALA CB C 26 18.209 18.564 -0.355 1
1 288 . 3 1 1 A 26 26 ALA N N 26 130.423 126.007 4.416 1
1 289 . 3 1 1 A 27 27 ASN H H 27 8.085 8.042 0.043 1
1 290 . 3 1 1 A 27 27 ASN HA H 27 4.834 4.999 -0.165 1
1 295 . 3 1 1 A 27 27 ASN CA C 27 51.625 52.095 -0.470 1
1 296 . 3 1 1 A 27 27 ASN CB C 27 38.577 39.371 -0.794 1
1 297 . 3 1 1 A 27 27 ASN N N 27 113.766 115.438 -1.672 1
1 299 . 3 1 1 A 28 28 CYS H H 28 7.209 7.849 -0.640 1
1 300 . 3 1 1 A 28 28 CYS HA H 28 4.053 4.347 -0.294 1
1 303 . 3 1 1 A 28 28 CYS CA C 28 61.312 59.745 1.567 1
1 304 . 3 1 1 A 28 28 CYS CB C 28 29.674 28.963 0.711 1
1 305 . 3 1 1 A 28 28 CYS N N 28 123.309 121.240 2.069 1
1 306 . 3 1 1 A 29 29 SER H H 29 8.922 8.593 0.329 1
1 307 . 3 1 1 A 29 29 SER HA H 29 4.609 4.193 0.416 1
1 310 . 3 1 1 A 29 29 SER CA C 29 57.450 60.608 -3.158 1
1 311 . 3 1 1 A 29 29 SER CB C 29 63.604 62.897 0.707 1
1 312 . 3 1 1 A 29 29 SER N N 29 124.870 119.642 5.228 1
1 313 . 3 1 1 A 30 30 LEU H H 30 8.513 7.607 0.906 1
1 314 . 3 1 1 A 30 30 LEU HA H 30 4.497 4.426 0.071 1
1 324 . 3 1 1 A 30 30 LEU CA C 30 53.980 52.840 1.140 1
1 325 . 3 1 1 A 30 30 LEU CB C 30 40.643 41.720 -1.077 1
1 329 . 3 1 1 A 30 30 LEU N N 30 128.341 125.115 3.226 1
1 330 . 3 1 1 A 31 31 PRO HA H 31 4.329 4.275 0.054 1
1 337 . 3 1 1 A 31 31 PRO CA C 31 65.026 64.720 0.306 1
1 338 . 3 1 1 A 31 31 PRO CB C 31 31.580 32.235 -0.655 1
1 341 . 3 1 1 A 32 32 SER H H 32 8.537 8.178 0.359 1
1 342 . 3 1 1 A 32 32 SER HA H 32 4.287 4.186 0.101 1
1 345 . 3 1 1 A 32 32 SER CA C 32 60.277 61.559 -1.282 1
1 346 . 3 1 1 A 32 32 SER CB C 32 62.277 62.462 -0.185 1
1 347 . 3 1 1 A 32 32 SER N N 32 112.551 112.205 0.346 1
1 348 . 3 1 1 A 33 33 CYS H H 33 7.523 8.051 -0.528 1
1 349 . 3 1 1 A 33 33 CYS HA H 33 4.170 3.932 0.238 1
1 352 . 3 1 1 A 33 33 CYS CA C 33 63.408 62.966 0.442 1
1 353 . 3 1 1 A 33 33 CYS CB C 33 29.503 26.534 2.969 1
1 354 . 3 1 1 A 33 33 CYS N N 33 126.085 119.964 6.121 1
1 355 . 3 1 1 A 34 34 GLN H H 34 8.102 8.019 0.083 1
1 356 . 3 1 1 A 34 34 GLN HA H 34 3.963 4.043 -0.080 1
1 359 . 3 1 1 A 34 34 GLN N N 34 115.711 119.063 -3.352 1
1 361 . 3 1 1 A 35 35 LYS H H 35 8.093 7.697 0.396 1
1 362 . 3 1 1 A 35 35 LYS HA H 35 3.994 4.115 -0.121 1
1 371 . 3 1 1 A 35 35 LYS CA C 35 59.502 59.362 0.140 1
1 372 . 3 1 1 A 35 35 LYS CB C 35 32.273 32.221 0.052 1
1 376 . 3 1 1 A 35 35 LYS N N 35 117.930 120.876 -2.946 1
1 377 . 3 1 1 A 36 36 MET H H 36 8.237 8.681 -0.444 1
1 378 . 3 1 1 A 36 36 MET HA H 36 4.488 4.095 0.393 1
1 386 . 3 1 1 A 36 36 MET CA C 36 56.725 59.344 -2.619 1
1 387 . 3 1 1 A 36 36 MET CB C 36 30.954 32.499 -1.545 1
1 390 . 3 1 1 A 36 36 MET N N 36 117.062 118.534 -1.472 1
1 391 . 3 1 1 A 37 37 LYS H H 37 9.107 8.167 0.940 1
1 392 . 3 1 1 A 37 37 LYS HA H 37 3.900 4.014 -0.114 1
1 401 . 3 1 1 A 37 37 LYS CA C 37 61.097 60.005 1.092 1
1 402 . 3 1 1 A 37 37 LYS CB C 37 32.947 32.312 0.635 1
1 406 . 3 1 1 A 37 37 LYS N N 37 120.186 119.078 1.108 1
1 407 . 3 1 1 A 38 38 ARG H H 38 7.781 7.520 0.261 1
1 408 . 3 1 1 A 38 38 ARG HA H 38 4.127 4.086 0.041 1
1 413 . 3 1 1 A 38 38 ARG CA C 38 59.263 59.343 -0.080 1
1 414 . 3 1 1 A 38 38 ARG CB C 38 29.965 30.132 -0.167 1
1 416 . 3 1 1 A 38 38 ARG N N 38 118.971 119.668 -0.697 1
1 417 . 3 1 1 A 39 39 VAL H H 39 8.289 8.081 0.208 1
1 418 . 3 1 1 A 39 39 VAL HA H 39 3.539 3.720 -0.181 1
1 426 . 3 1 1 A 39 39 VAL CA C 39 66.989 66.501 0.488 1
1 427 . 3 1 1 A 39 39 VAL CB C 39 31.451 31.734 -0.283 1
1 430 . 3 1 1 A 39 39 VAL N N 39 123.829 120.138 3.691 1
1 431 . 3 1 1 A 40 40 VAL H H 40 8.318 8.487 -0.169 1
1 432 . 3 1 1 A 40 40 VAL HA H 40 3.528 3.778 -0.250 1
1 440 . 3 1 1 A 40 40 VAL CA C 40 67.050 65.257 1.793 1
1 441 . 3 1 1 A 40 40 VAL CB C 40 31.608 31.270 0.338 1
1 444 . 3 1 1 A 40 40 VAL N N 40 119.665 120.402 -0.737 1
1 445 . 3 1 1 A 41 41 GLN H H 41 8.263 8.090 0.173 1
1 446 . 3 1 1 A 41 41 GLN HA H 41 3.974 3.921 0.053 1
1 453 . 3 1 1 A 41 41 GLN CA C 41 58.571 59.240 -0.669 1
1 454 . 3 1 1 A 41 41 GLN CB C 41 28.018 28.503 -0.485 1
1 456 . 3 1 1 A 41 41 GLN N N 41 118.450 122.290 -3.840 1
1 458 . 3 1 1 A 42 42 HIS H H 42 8.309 7.966 0.343 1
1 459 . 3 1 1 A 42 42 HIS HA H 42 4.215 4.337 -0.122 1
1 463 . 3 1 1 A 42 42 HIS CA C 42 59.402 59.330 0.072 1
1 464 . 3 1 1 A 42 42 HIS CB C 42 26.966 30.558 -3.592 1
1 466 . 3 1 1 A 42 42 HIS N N 42 118.971 120.084 -1.113 1
1 467 . 3 1 1 A 43 43 THR H H 43 8.056 8.071 -0.015 1
1 468 . 3 1 1 A 43 43 THR HA H 43 3.929 3.712 0.217 1
1 474 . 3 1 1 A 43 43 THR CA C 43 66.101 67.028 -0.927 1
1 475 . 3 1 1 A 43 43 THR CB C 43 69.107 68.178 0.929 1
1 477 . 3 1 1 A 43 43 THR N N 43 114.320 113.255 1.065 1
1 478 . 3 1 1 A 44 44 LYS H H 44 7.531 8.095 -0.564 1
1 479 . 3 1 1 A 44 44 LYS HA H 44 4.085 4.160 -0.075 1
1 488 . 3 1 1 A 44 44 LYS CA C 44 58.682 58.651 0.031 1
1 489 . 3 1 1 A 44 44 LYS CB C 44 32.024 32.217 -0.193 1
1 493 . 3 1 1 A 44 44 LYS N N 44 120.012 119.133 0.879 1
1 494 . 3 1 1 A 45 45 GLY H H 45 7.143 7.775 -0.632 1
1 495 . 3 1 1 A 45 45 GLY HA2 H 45 3.625 4.044 -0.419 1
1 496 . 3 1 1 A 45 45 GLY HA3 H 45 4.387 4.061 0.326 1
1 497 . 3 1 1 A 45 45 GLY CA C 45 44.289 45.391 -1.102 1
1 498 . 3 1 1 A 45 45 GLY N N 45 103.528 106.503 -2.975 1
1 499 . 3 1 1 A 46 46 CYS H H 46 6.988 7.503 -0.515 1
1 500 . 3 1 1 A 46 46 CYS HA H 46 3.955 4.311 -0.356 1
1 503 . 3 1 1 A 46 46 CYS CA C 46 60.654 59.385 1.269 1
1 504 . 3 1 1 A 46 46 CYS CB C 46 29.793 28.296 1.497 1
1 505 . 3 1 1 A 46 46 CYS N N 46 123.656 120.076 3.580 1
1 506 . 3 1 1 A 47 47 LYS H H 47 9.060 9.126 -0.066 1
1 507 . 3 1 1 A 47 47 LYS HA H 47 4.489 4.500 -0.011 1
1 516 . 3 1 1 A 47 47 LYS CA C 47 56.127 56.586 -0.459 1
1 517 . 3 1 1 A 47 47 LYS CB C 47 32.393 32.776 -0.383 1
1 521 . 3 1 1 A 47 47 LYS N N 47 127.820 126.232 1.588 1
1 522 . 3 1 1 A 48 48 ARG H H 48 8.537 7.636 0.901 1
1 523 . 3 1 1 A 48 48 ARG HA H 48 4.330 4.486 -0.156 1
1 530 . 3 1 1 A 48 48 ARG CA C 48 57.648 56.473 1.175 1
1 531 . 3 1 1 A 48 48 ARG CB C 48 31.810 32.296 -0.486 1
1 534 . 3 1 1 A 48 48 ARG N N 48 122.615 117.004 5.611 1
1 535 . 3 1 1 A 49 49 LYS H H 49 8.522 7.974 0.548 1
1 536 . 3 1 1 A 49 49 LYS HA H 49 4.554 4.239 0.315 1
1 545 . 3 1 1 A 49 49 LYS CA C 49 57.417 56.839 0.578 1
1 546 . 3 1 1 A 49 49 LYS CB C 49 31.543 31.893 -0.350 1
1 550 . 3 1 1 A 49 49 LYS N N 49 117.583 119.243 -1.660 1
1 551 . 3 1 1 A 50 50 THR H H 50 7.992 8.867 -0.875 1
1 552 . 3 1 1 A 50 50 THR HA H 50 4.127 3.942 0.185 1
1 557 . 3 1 1 A 50 50 THR CA C 50 63.985 65.836 -1.851 1
1 558 . 3 1 1 A 50 50 THR CB C 50 68.157 68.225 -0.068 1
1 560 . 3 1 1 A 50 50 THR N N 50 113.245 113.254 -0.009 1
1 561 . 3 1 1 A 51 51 ASN H H 51 8.888 8.134 0.754 1
1 562 . 3 1 1 A 51 51 ASN HA H 51 4.665 4.563 0.102 1
1 567 . 3 1 1 A 51 51 ASN CA C 51 54.159 55.413 -1.254 1
1 568 . 3 1 1 A 51 51 ASN CB C 51 37.857 38.242 -0.385 1
1 570 . 3 1 1 A 52 52 GLY H H 52 7.972 7.743 0.229 1
1 571 . 3 1 1 A 52 52 GLY HA2 H 52 3.893 4.105 -0.212 1
1 572 . 3 1 1 A 52 52 GLY HA3 H 52 4.101 4.108 -0.007 1
1 573 . 3 1 1 A 52 52 GLY CA C 52 45.368 45.541 -0.173 1
1 574 . 3 1 1 A 52 52 GLY N N 52 106.651 106.298 0.353 1
1 575 . 3 1 1 A 53 53 GLY H H 53 7.765 8.126 -0.361 1
1 576 . 3 1 1 A 53 53 GLY HA2 H 53 3.837 4.060 -0.223 1
1 577 . 3 1 1 A 53 53 GLY HA3 H 53 4.079 4.061 0.018 1
1 578 . 3 1 1 A 53 53 GLY CA C 53 45.227 45.001 0.226 1
1 579 . 3 1 1 A 53 53 GLY N N 53 107.519 106.304 1.215 1
1 580 . 3 1 1 A 54 54 CYS H H 54 8.099 7.860 0.239 1
1 581 . 3 1 1 A 54 54 CYS HA H 54 4.720 4.606 0.114 1
1 584 . 3 1 1 A 54 54 CYS CA C 54 55.572 57.290 -1.718 1
1 585 . 3 1 1 A 54 54 CYS CB C 54 30.216 28.745 1.471 1
1 586 . 3 1 1 A 54 54 CYS N N 54 122.615 119.747 2.868 1
1 587 . 3 1 1 A 55 55 PRO HA H 55 4.237 4.484 -0.247 1
1 594 . 3 1 1 A 55 55 PRO CA C 55 64.757 63.995 0.762 1
1 595 . 3 1 1 A 55 55 PRO CB C 55 32.311 31.925 0.386 1
1 598 . 3 1 1 A 56 56 VAL H H 56 7.645 6.728 0.917 1
1 599 . 3 1 1 A 56 56 VAL HA H 56 3.384 3.726 -0.342 1
1 607 . 3 1 1 A 56 56 VAL CA C 56 66.184 65.792 0.392 1
1 608 . 3 1 1 A 56 56 VAL CB C 56 32.502 31.565 0.937 1
1 611 . 3 1 1 A 56 56 VAL N N 56 121.227 116.755 4.472 1
1 612 . 3 1 1 A 57 57 CYS H H 57 8.565 7.964 0.601 1
1 613 . 3 1 1 A 57 57 CYS HA H 57 4.034 4.038 -0.004 1
1 616 . 3 1 1 A 57 57 CYS CA C 57 65.746 63.434 2.312 1
1 617 . 3 1 1 A 57 57 CYS CB C 57 29.273 27.180 2.093 1
1 618 . 3 1 1 A 57 57 CYS N N 57 122.615 117.792 4.823 1
1 619 . 3 1 1 A 58 58 LYS H H 58 7.956 7.705 0.251 1
1 620 . 3 1 1 A 58 58 LYS HA H 58 3.874 3.852 0.022 1
1 629 . 3 1 1 A 58 58 LYS CA C 58 59.955 59.286 0.669 1
1 630 . 3 1 1 A 58 58 LYS CB C 58 32.272 32.092 0.180 1
1 634 . 3 1 1 A 58 58 LYS N N 58 116.889 121.054 -4.165 1
1 635 . 3 1 1 A 59 59 GLN H H 59 7.359 7.900 -0.541 1
1 636 . 3 1 1 A 59 59 GLN HA H 59 3.789 4.073 -0.284 1
1 643 . 3 1 1 A 59 59 GLN CA C 59 60.647 58.707 1.940 1
1 644 . 3 1 1 A 59 59 GLN CB C 59 27.196 28.442 -1.246 1
1 646 . 3 1 1 A 59 59 GLN N N 59 116.889 118.658 -1.769 1
1 648 . 3 1 1 A 60 60 LEU H H 60 8.303 7.872 0.431 1
1 649 . 3 1 1 A 60 60 LEU HA H 60 4.093 4.005 0.088 1
1 659 . 3 1 1 A 60 60 LEU CA C 60 58.110 57.918 0.192 1
1 660 . 3 1 1 A 60 60 LEU CB C 60 40.807 41.726 -0.919 1
1 664 . 3 1 1 A 60 60 LEU N N 60 118.103 119.412 -1.309 1
1 665 . 3 1 1 A 61 61 ILE H H 61 8.804 8.416 0.388 1
1 666 . 3 1 1 A 61 61 ILE HA H 61 3.801 3.547 0.254 1
1 676 . 3 1 1 A 61 61 ILE CA C 61 63.416 65.689 -2.273 1
1 677 . 3 1 1 A 61 61 ILE CB C 61 36.886 37.717 -0.831 1
1 681 . 3 1 1 A 61 61 ILE N N 61 118.624 118.938 -0.314 1
1 682 . 3 1 1 A 62 62 ALA H H 62 7.796 8.000 -0.204 1
1 683 . 3 1 1 A 62 62 ALA HA H 62 4.058 4.113 -0.055 1
1 687 . 3 1 1 A 62 62 ALA CA C 62 56.030 55.352 0.678 1
1 688 . 3 1 1 A 62 62 ALA CB C 62 18.068 18.419 -0.351 1
1 689 . 3 1 1 A 62 62 ALA N N 62 124.003 122.812 1.191 1
1 690 . 3 1 1 A 63 63 LEU H H 63 8.011 7.830 0.181 1
1 691 . 3 1 1 A 63 63 LEU HA H 63 4.077 4.056 0.021 1
1 701 . 3 1 1 A 63 63 LEU CA C 63 58.110 57.754 0.356 1
1 702 . 3 1 1 A 63 63 LEU CB C 63 42.116 41.394 0.722 1
1 706 . 3 1 1 A 63 63 LEU N N 63 117.583 119.363 -1.780 1
1 707 . 3 1 1 A 64 64 CYS H H 64 8.818 8.691 0.127 1
1 708 . 3 1 1 A 64 64 CYS HA H 64 4.053 4.337 -0.284 1
1 711 . 3 1 1 A 64 64 CYS CA C 64 64.800 62.878 1.922 1
1 712 . 3 1 1 A 64 64 CYS CB C 64 26.504 27.062 -0.558 1
1 713 . 3 1 1 A 64 64 CYS N N 64 118.277 116.993 1.284 1
1 714 . 3 1 1 A 65 65 CYS H H 65 8.793 8.525 0.268 1
1 715 . 3 1 1 A 65 65 CYS HA H 65 4.258 4.124 0.134 1
1 718 . 3 1 1 A 65 65 CYS CA C 65 63.646 63.869 -0.223 1
1 719 . 3 1 1 A 65 65 CYS CB C 65 26.966 27.082 -0.116 1
1 720 . 3 1 1 A 65 65 CYS N N 65 118.971 119.338 -0.367 1
1 721 . 3 1 1 A 66 66 TYR H H 66 8.369 8.258 0.111 1
1 722 . 3 1 1 A 66 66 TYR HA H 66 4.034 4.228 -0.194 1
1 729 . 3 1 1 A 66 66 TYR CA C 66 60.886 61.353 -0.467 1
1 730 . 3 1 1 A 66 66 TYR CB C 66 37.808 38.710 -0.902 1
1 733 . 3 1 1 A 66 66 TYR N N 66 121.574 122.582 -1.008 1
1 734 . 3 1 1 A 67 67 HIS H H 67 8.633 7.790 0.843 1
1 735 . 3 1 1 A 67 67 HIS HA H 67 4.318 4.345 -0.027 1
1 740 . 3 1 1 A 67 67 HIS CA C 67 58.998 59.467 -0.469 1
1 741 . 3 1 1 A 67 67 HIS CB C 67 27.409 30.538 -3.129 1
1 744 . 3 1 1 A 67 67 HIS N N 67 117.409 119.163 -1.754 1
1 745 . 3 1 1 A 68 68 ALA H H 68 8.725 8.839 -0.114 1
1 746 . 3 1 1 A 68 68 ALA HA H 68 4.019 3.901 0.118 1
1 750 . 3 1 1 A 68 68 ALA CA C 68 54.690 55.354 -0.664 1
1 751 . 3 1 1 A 68 68 ALA CB C 68 19.964 18.572 1.392 1
1 752 . 3 1 1 A 68 68 ALA N N 68 122.094 120.734 1.360 1
1 753 . 3 1 1 A 69 69 LYS H H 69 7.362 7.725 -0.363 1
1 754 . 3 1 1 A 69 69 LYS HA H 69 3.736 3.960 -0.224 1
1 763 . 3 1 1 A 69 69 LYS CA C 69 58.137 58.886 -0.749 1
1 764 . 3 1 1 A 69 69 LYS CB C 69 32.224 31.990 0.234 1
1 768 . 3 1 1 A 69 69 LYS N N 69 114.807 116.097 -1.290 1
1 769 . 3 1 1 A 70 70 HIS H H 70 7.011 7.572 -0.561 1
1 770 . 3 1 1 A 70 70 HIS HA H 70 4.697 4.263 0.434 1
1 774 . 3 1 1 A 70 70 HIS CA C 70 54.835 59.212 -4.377 1
1 775 . 3 1 1 A 70 70 HIS CB C 70 30.477 30.246 0.231 1
1 777 . 3 1 1 A 70 70 HIS N N 70 112.898 117.830 -4.932 1
1 778 . 3 1 1 A 71 71 CYS H H 71 7.012 7.358 -0.346 1
1 779 . 3 1 1 A 71 71 CYS HA H 71 4.032 4.258 -0.226 1
1 782 . 3 1 1 A 71 71 CYS CA C 71 59.948 59.324 0.624 1
1 783 . 3 1 1 A 71 71 CYS CB C 71 29.752 28.293 1.459 1
1 784 . 3 1 1 A 71 71 CYS N N 71 123.829 117.872 5.957 1
1 785 . 3 1 1 A 72 72 GLN H H 72 9.181 8.790 0.391 1
1 786 . 3 1 1 A 72 72 GLN HA H 72 4.674 4.568 0.106 1
1 793 . 3 1 1 A 72 72 GLN CA C 72 54.224 55.484 -1.260 1
1 794 . 3 1 1 A 72 72 GLN CB C 72 29.049 30.387 -1.338 1
1 796 . 3 1 1 A 72 72 GLN N N 72 128.341 122.259 6.082 1
1 798 . 3 1 1 A 73 73 GLU H H 73 8.396 7.312 1.084 1
1 799 . 3 1 1 A 73 73 GLU HA H 73 4.389 4.376 0.013 1
1 804 . 3 1 1 A 73 73 GLU CA C 73 55.341 56.704 -1.363 1
1 805 . 3 1 1 A 73 73 GLU CB C 73 30.239 30.879 -0.640 1
1 807 . 3 1 1 A 73 73 GLU N N 73 123.309 122.554 0.755 1
1 808 . 3 1 1 A 74 74 ASN H H 74 8.921 9.115 -0.194 1
1 809 . 3 1 1 A 74 74 ASN HA H 74 4.538 5.005 -0.467 1
1 814 . 3 1 1 A 74 74 ASN CA C 74 54.666 53.034 1.632 1
1 815 . 3 1 1 A 74 74 ASN CB C 74 38.301 39.538 -1.237 1
1 816 . 3 1 1 A 74 74 ASN N N 74 124.870 122.398 2.472 1
1 818 . 3 1 1 A 75 75 LYS H H 75 8.847 7.834 1.013 1
1 819 . 3 1 1 A 75 75 LYS HA H 75 4.442 4.643 -0.201 1
1 828 . 3 1 1 A 75 75 LYS CA C 75 54.327 55.265 -0.938 1
1 829 . 3 1 1 A 75 75 LYS CB C 75 30.837 33.332 -2.495 1
1 833 . 3 1 1 A 75 75 LYS N N 75 121.574 117.000 4.574 1
1 834 . 3 1 1 A 76 76 CYS H H 76 7.191 7.342 -0.151 1
1 835 . 3 1 1 A 76 76 CYS HA H 76 4.389 4.446 -0.057 1
1 838 . 3 1 1 A 76 76 CYS CA C 76 57.270 57.695 -0.425 1
1 839 . 3 1 1 A 76 76 CYS CB C 76 30.613 28.314 2.299 1
1 840 . 3 1 1 A 76 76 CYS N N 76 124.350 121.617 2.733 1
1 841 . 3 1 1 A 77 77 PRO HA H 77 4.673 4.505 0.168 1
1 848 . 3 1 1 A 77 77 PRO CA C 77 62.878 64.366 -1.488 1
1 849 . 3 1 1 A 77 77 PRO CB C 77 31.950 32.030 -0.080 1
1 852 . 3 1 1 A 78 78 VAL H H 78 8.974 7.761 1.213 1
1 853 . 3 1 1 A 78 78 VAL HA H 78 4.187 4.212 -0.025 1
1 861 . 3 1 1 A 78 78 VAL CA C 78 61.637 60.998 0.639 1
1 862 . 3 1 1 A 78 78 VAL CB C 78 31.654 32.134 -0.480 1
1 865 . 3 1 1 A 78 78 VAL N N 78 128.688 119.563 9.125 1
1 866 . 3 1 1 A 79 79 PRO HA H 79 3.938 4.285 -0.347 1
1 873 . 3 1 1 A 79 79 PRO CA C 79 63.962 65.281 -1.319 1
1 874 . 3 1 1 A 79 79 PRO CB C 79 30.887 31.906 -1.019 1
1 877 . 3 1 1 A 80 80 PHE HA H 80 4.350 4.327 0.023 1
1 884 . 3 1 1 A 80 80 PHE CA C 80 59.032 60.271 -1.239 1
1 885 . 3 1 1 A 80 80 PHE CB C 80 37.686 38.034 -0.348 1
1 888 . 3 1 1 A 81 81 CYS H H 81 7.686 8.292 -0.606 1
1 889 . 3 1 1 A 81 81 CYS HA H 81 4.001 4.207 -0.206 1
1 892 . 3 1 1 A 81 81 CYS CA C 81 64.779 62.503 2.276 1
1 893 . 3 1 1 A 81 81 CYS CB C 81 29.524 26.673 2.851 1
1 894 . 3 1 1 A 81 81 CYS N N 81 124.176 118.772 5.404 1
1 895 . 3 1 1 A 82 82 LEU H H 82 8.267 8.396 -0.129 1
1 896 . 3 1 1 A 82 82 LEU HA H 82 4.010 4.047 -0.037 1
1 906 . 3 1 1 A 82 82 LEU CA C 82 58.340 58.257 0.083 1
1 907 . 3 1 1 A 82 82 LEU CB C 82 40.862 41.877 -1.015 1
1 911 . 3 1 1 A 82 82 LEU N N 82 114.980 121.201 -6.221 1
1 912 . 3 1 1 A 83 83 ASN H H 83 7.917 8.303 -0.386 1
1 913 . 3 1 1 A 83 83 ASN HA H 83 4.490 4.421 0.069 1
1 918 . 3 1 1 A 83 83 ASN CA C 83 56.061 56.888 -0.827 1
1 919 . 3 1 1 A 83 83 ASN CB C 83 38.494 39.124 -0.630 1
1 920 . 3 1 1 A 83 83 ASN N N 83 116.542 116.647 -0.105 1
1 922 . 3 1 1 A 84 84 ILE H H 84 8.788 8.430 0.358 1
1 923 . 3 1 1 A 84 84 ILE HA H 84 3.734 3.664 0.070 1
1 933 . 3 1 1 A 84 84 ILE CA C 84 65.142 65.379 -0.237 1
1 934 . 3 1 1 A 84 84 ILE CB C 84 38.039 37.916 0.123 1
1 938 . 3 1 1 A 84 84 ILE N N 84 121.747 119.330 2.417 1
1 939 . 3 1 1 A 85 85 LYS H H 85 8.954 8.417 0.537 1
1 940 . 3 1 1 A 85 85 LYS HA H 85 3.839 3.960 -0.121 1
1 949 . 3 1 1 A 85 85 LYS CA C 85 60.936 59.415 1.521 1
1 950 . 3 1 1 A 85 85 LYS CB C 85 32.041 32.307 -0.266 1
1 954 . 3 1 1 A 85 85 LYS N N 85 119.665 120.576 -0.911 1
1 955 . 3 1 1 A 86 86 HIS H H 86 8.043 7.829 0.214 1
1 956 . 3 1 1 A 86 86 HIS HA H 86 4.411 4.334 0.077 1
1 960 . 3 1 1 A 86 86 HIS CA C 86 58.746 59.478 -0.732 1
1 961 . 3 1 1 A 86 86 HIS CB C 86 30.067 29.966 0.101 1
1 963 . 3 1 1 A 86 86 HIS N N 86 116.542 118.268 -1.726 1
1 964 . 3 1 1 A 87 87 LYS H H 87 7.822 7.742 0.080 1
1 965 . 3 1 1 A 87 87 LYS HA H 87 4.158 3.961 0.197 1
1 968 . 3 1 1 A 87 87 LYS CA C 87 57.879 59.295 -1.416 1
1 969 . 3 1 1 A 87 87 LYS N N 87 119.318 118.395 0.923 1
1 970 . 3 1 1 A 88 88 LEU H H 88 8.405 8.427 -0.022 1
1 971 . 3 1 1 A 88 88 LEU HA H 88 4.194 4.012 0.182 1
1 981 . 3 1 1 A 88 88 LEU CA C 88 56.289 57.872 -1.583 1
1 982 . 3 1 1 A 88 88 LEU CB C 88 41.692 40.973 0.719 1
1 986 . 3 1 1 A 88 88 LEU N N 88 119.144 119.801 -0.657 1
1 987 . 3 1 1 A 89 89 ARG H H 89 7.826 8.180 -0.354 1
1 988 . 3 1 1 A 89 89 ARG HA H 89 4.271 4.029 0.242 1
1 995 . 3 1 1 A 89 89 ARG CA C 89 56.666 59.404 -2.738 1
1 996 . 3 1 1 A 89 89 ARG CB C 89 29.965 29.871 0.094 1
1 999 . 3 1 1 A 89 89 ARG N N 89 118.450 118.450 0.000 1
1 1000 . 3 1 1 A 90 90 GLN H H 90 7.935 7.740 0.195 1
1 1001 . 3 1 1 A 90 90 GLN HA H 90 4.270 4.399 -0.129 1
1 1008 . 3 1 1 A 90 90 GLN CA C 90 55.840 56.047 -0.207 1
1 1009 . 3 1 1 A 90 90 GLN CB C 90 28.989 29.264 -0.275 1
1 1011 . 3 1 1 A 90 90 GLN N N 90 119.318 116.414 2.904 1
1 1013 . 3 1 1 A 91 91 GLN H H 91 8.141 7.949 0.192 1
1 1014 . 3 1 1 A 91 91 GLN HA H 91 4.352 3.988 0.364 1
1 1021 . 3 1 1 A 91 91 GLN CA C 91 55.581 59.134 -3.553 1
1 1022 . 3 1 1 A 91 91 GLN CB C 91 29.284 28.756 0.528 1
1 1024 . 3 1 1 A 91 91 GLN N N 91 120.706 121.220 -0.514 1
1 1043 . 3 2 2 B 2 2 SER CB C 707 63.646 62.986 0.660 1
1 1044 . 3 2 2 B 3 3 HIS HA H 708 4.663 4.470 0.193 1
1 1047 . 3 2 2 B 3 3 HIS CA C 708 56.033 56.462 -0.429 1
1 1048 . 3 2 2 B 3 3 HIS CB C 708 30.146 29.834 0.312 1
1 1053 . 3 2 2 B 5 5 SER H H 710 8.437 8.707 -0.270 1
1 1054 . 3 2 2 B 5 5 SER HA H 710 4.429 4.778 -0.349 1
1 1057 . 3 2 2 B 5 5 SER CA C 710 58.340 55.823 2.517 1
1 1058 . 3 2 2 B 5 5 SER CB C 710 63.416 65.490 -2.074 1
1 1059 . 3 2 2 B 5 5 SER N N 710 117.160 117.710 -0.550 1
1 1060 . 3 2 2 B 6 6 GLU H H 711 8.458 8.538 -0.080 1
1 1061 . 3 2 2 B 6 6 GLU HA H 711 4.311 4.402 -0.091 1
1 1066 . 3 2 2 B 6 6 GLU CA C 711 56.033 56.814 -0.781 1
1 1067 . 3 2 2 B 6 6 GLU CB C 711 30.223 30.719 -0.496 1
1 1069 . 3 2 2 B 6 6 GLU N N 711 123.053 123.298 -0.245 1
1 1070 . 3 2 2 B 7 7 VAL H H 712 8.150 8.513 -0.363 1
1 1071 . 3 2 2 B 7 7 VAL HA H 712 4.050 4.814 -0.764 1
1 1079 . 3 2 2 B 7 7 VAL CA C 712 61.801 59.838 1.963 1
1 1080 . 3 2 2 B 7 7 VAL CB C 712 32.041 35.846 -3.805 1
1 1083 . 3 2 2 B 7 7 VAL N N 712 121.173 124.119 -2.946 1
1 1084 . 3 2 2 B 8 8 HIS H H 713 8.495 8.652 -0.157 1
1 1085 . 3 2 2 B 8 8 HIS HA H 713 4.914 5.100 -0.186 1
1 1089 . 3 2 2 B 8 8 HIS CA C 713 53.945 53.665 0.280 1
1 1090 . 3 2 2 B 8 8 HIS CB C 713 30.218 31.049 -0.831 1
1 1092 . 3 2 2 B 8 8 HIS N N 713 125.310 127.189 -1.879 1
1 1093 . 3 2 2 B 9 9 PRO HA H 714 4.430 4.638 -0.208 1
1 1100 . 3 2 2 B 9 9 PRO CA C 714 63.409 62.309 1.100 1
1 1101 . 3 2 2 B 9 9 PRO CB C 714 32.018 33.366 -1.348 1
1 1104 . 3 2 2 B 10 10 SER H H 715 8.889 8.392 0.497 1
1 1105 . 3 2 2 B 10 10 SER HA H 715 4.437 4.218 0.219 1
1 1108 . 3 2 2 B 10 10 SER CA C 715 58.571 59.682 -1.111 1
1 1109 . 3 2 2 B 10 10 SER CB C 715 63.213 63.576 -0.363 1
1 1110 . 3 2 2 B 10 10 SER N N 715 116.533 113.167 3.366 1
1 1111 . 3 2 2 B 11 11 ARG H H 716 8.442 7.608 0.834 1
1 1112 . 3 2 2 B 11 11 ARG HA H 716 4.388 4.759 -0.371 1
1 1119 . 3 2 2 B 11 11 ARG CA C 716 55.882 54.768 1.114 1
1 1120 . 3 2 2 B 11 11 ARG CB C 716 30.395 33.529 -3.134 1
1 1123 . 3 2 2 B 11 11 ARG N N 716 122.803 118.028 4.775 1
1 1124 . 3 2 2 B 12 12 LEU H H 717 8.133 8.547 -0.414 1
1 1125 . 3 2 2 B 12 12 LEU HA H 717 4.356 4.585 -0.229 1
1 1135 . 3 2 2 B 12 12 LEU CA C 717 54.880 54.004 0.876 1
1 1136 . 3 2 2 B 12 12 LEU CB C 717 42.081 44.506 -2.425 1
1 1140 . 3 2 2 B 12 12 LEU N N 717 122.552 123.005 -0.453 1
1 1141 . 3 2 2 B 13 13 GLN H H 718 8.440 7.941 0.499 1
1 1142 . 3 2 2 B 13 13 GLN HA H 718 4.454 4.496 -0.042 1
1 1149 . 3 2 2 B 13 13 GLN CA C 718 55.341 55.218 0.123 1
1 1150 . 3 2 2 B 13 13 GLN CB C 718 29.285 30.295 -1.010 1
1 1152 . 3 2 2 B 13 13 GLN N N 718 121.298 118.581 2.717 1
1 1154 . 3 2 2 B 14 14 THR H H 719 8.257 7.470 0.787 1
1 1155 . 3 2 2 B 14 14 THR HA H 719 4.438 4.215 0.223 1
1 1160 . 3 2 2 B 14 14 THR CA C 719 61.339 62.010 -0.671 1
1 1161 . 3 2 2 B 14 14 THR CB C 719 69.456 69.601 -0.145 1
1 1163 . 3 2 2 B 14 14 THR N N 719 115.154 112.388 2.766 1
1 1164 . 3 2 2 B 15 15 THR H H 720 8.240 8.902 -0.662 1
1 1165 . 3 2 2 B 15 15 THR HA H 720 4.275 4.076 0.199 1
1 1170 . 3 2 2 B 15 15 THR CA C 720 61.967 65.219 -3.252 1
1 1171 . 3 2 2 B 15 15 THR CB C 720 69.183 68.314 0.869 1
1 1173 . 3 2 2 B 15 15 THR N N 720 115.029 116.547 -1.518 1
1 1174 . 3 2 2 B 16 16 ASP H H 721 8.293 8.476 -0.183 1
1 1175 . 3 2 2 B 16 16 ASP HA H 721 4.494 4.571 -0.077 1
1 1178 . 3 2 2 B 16 16 ASP CA C 721 54.880 56.061 -1.181 1
1 1179 . 3 2 2 B 16 16 ASP CB C 721 40.891 40.486 0.405 1
1 1180 . 3 2 2 B 16 16 ASP N N 721 122.427 121.445 0.982 1
1 1181 . 3 2 2 B 17 17 ASN H H 722 8.272 7.450 0.822 1
1 1182 . 3 2 2 B 17 17 ASN HA H 722 4.577 4.939 -0.362 1
1 1187 . 3 2 2 B 17 17 ASN CA C 722 53.330 53.030 0.300 1
1 1188 . 3 2 2 B 17 17 ASN CB C 722 38.332 39.781 -1.449 1
1 1189 . 3 2 2 B 17 17 ASN N N 722 118.916 116.248 2.668 1
1 1191 . 3 2 2 B 18 18 LEU H H 723 8.204 7.697 0.507 1
1 1192 . 3 2 2 B 18 18 LEU HA H 723 4.191 4.187 0.004 1
1 1202 . 3 2 2 B 18 18 LEU CA C 723 54.200 57.148 -2.948 1
1 1203 . 3 2 2 B 18 18 LEU CB C 723 43.545 41.504 2.041 1
1 1207 . 3 2 2 B 18 18 LEU N N 723 121.173 118.833 2.340 1
1 1208 . 3 2 2 B 19 19 LEU H H 724 7.416 7.472 -0.056 1
1 1209 . 3 2 2 B 19 19 LEU HA H 724 4.273 4.333 -0.060 1
1 1219 . 3 2 2 B 19 19 LEU CA C 724 52.415 53.948 -1.533 1
1 1220 . 3 2 2 B 19 19 LEU CB C 724 40.471 42.198 -1.727 1
1 1224 . 3 2 2 B 19 19 LEU N N 724 117.286 121.671 -4.385 1
1 1225 . 3 2 2 B 20 20 PRO HA H 725 4.271 4.513 -0.242 1
1 1232 . 3 2 2 B 20 20 PRO CA C 725 63.877 64.172 -0.295 1
1 1233 . 3 2 2 B 20 20 PRO CB C 725 32.716 31.758 0.958 1
1 1236 . 3 2 2 B 21 21 MET H H 726 8.932 7.601 1.331 1
1 1237 . 3 2 2 B 21 21 MET HA H 726 4.841 4.887 -0.046 1
1 1245 . 3 2 2 B 21 21 MET CA C 726 54.199 54.252 -0.053 1
1 1246 . 3 2 2 B 21 21 MET CB C 726 36.939 35.750 1.189 1
1 1249 . 3 2 2 B 21 21 MET N N 726 116.784 119.271 -2.487 1
1 1250 . 3 2 2 B 22 22 SER H H 727 8.956 9.043 -0.087 1
1 1251 . 3 2 2 B 22 22 SER HA H 727 4.771 4.907 -0.136 1
1 1254 . 3 2 2 B 22 22 SER CA C 727 56.255 56.289 -0.034 1
1 1255 . 3 2 2 B 22 22 SER CB C 727 62.528 64.093 -1.565 1
1 1256 . 3 2 2 B 22 22 SER N N 727 119.167 120.578 -1.411 1
1 1257 . 3 2 2 B 23 23 PRO HA H 728 4.312 4.291 0.021 1
1 1264 . 3 2 2 B 23 23 PRO CA C 728 65.953 65.590 0.363 1
1 1265 . 3 2 2 B 23 23 PRO CB C 728 31.810 31.831 -0.021 1
1 1268 . 3 2 2 B 24 24 GLU H H 729 8.877 8.497 0.380 1
1 1269 . 3 2 2 B 24 24 GLU HA H 729 4.163 4.066 0.097 1
1 1274 . 3 2 2 B 24 24 GLU CA C 729 59.748 59.171 0.577 1
1 1275 . 3 2 2 B 24 24 GLU CB C 729 28.819 28.950 -0.131 1
1 1277 . 3 2 2 B 24 24 GLU N N 729 116.283 117.038 -0.755 1
1 1278 . 3 2 2 B 25 25 GLU H H 730 7.789 7.925 -0.136 1
1 1279 . 3 2 2 B 25 25 GLU HA H 730 3.787 4.271 -0.484 1
1 1284 . 3 2 2 B 25 25 GLU CA C 730 59.266 58.725 0.541 1
1 1285 . 3 2 2 B 25 25 GLU CB C 730 29.501 30.248 -0.747 1
1 1287 . 3 2 2 B 25 25 GLU N N 730 121.298 119.310 1.988 1
1 1288 . 3 2 2 B 26 26 PHE H H 731 8.730 8.346 0.384 1
1 1289 . 3 2 2 B 26 26 PHE HA H 731 4.364 4.186 0.178 1
1 1296 . 3 2 2 B 26 26 PHE CA C 731 59.724 61.534 -1.810 1
1 1297 . 3 2 2 B 26 26 PHE CB C 731 38.230 39.444 -1.214 1
1 1300 . 3 2 2 B 26 26 PHE N N 731 119.543 121.511 -1.968 1
1 1301 . 3 2 2 B 27 27 ASP H H 732 8.587 8.255 0.332 1
1 1302 . 3 2 2 B 27 27 ASP HA H 732 4.097 4.380 -0.283 1
1 1305 . 3 2 2 B 27 27 ASP CA C 732 57.256 58.119 -0.863 1
1 1306 . 3 2 2 B 27 27 ASP CB C 732 40.421 41.667 -1.246 1
1 1307 . 3 2 2 B 27 27 ASP N N 732 121.549 118.562 2.987 1
1 1308 . 3 2 2 B 28 28 GLU H H 733 7.383 7.909 -0.526 1
1 1309 . 3 2 2 B 28 28 GLU HA H 733 4.155 4.125 0.030 1
1 1314 . 3 2 2 B 28 28 GLU CA C 733 58.749 58.856 -0.107 1
1 1315 . 3 2 2 B 28 28 GLU CB C 733 28.933 29.449 -0.516 1
1 1317 . 3 2 2 B 28 28 GLU N N 733 119.793 119.459 0.334 1
1 1318 . 3 2 2 B 29 29 VAL H H 734 8.246 7.739 0.507 1
1 1319 . 3 2 2 B 29 29 VAL HA H 734 3.595 3.437 0.158 1
1 1327 . 3 2 2 B 29 29 VAL CA C 734 66.219 65.996 0.223 1
1 1328 . 3 2 2 B 29 29 VAL CB C 734 31.362 31.607 -0.245 1
1 1331 . 3 2 2 B 29 29 VAL N N 734 118.540 120.757 -2.217 1
1 1332 . 3 2 2 B 30 30 SER H H 735 8.384 8.212 0.172 1
1 1333 . 3 2 2 B 30 30 SER HA H 735 3.912 3.675 0.237 1
1 1336 . 3 2 2 B 30 30 SER CA C 735 61.703 61.196 0.507 1
1 1337 . 3 2 2 B 30 30 SER CB C 735 62.059 62.711 -0.652 1
1 1338 . 3 2 2 B 30 30 SER N N 735 115.154 115.183 -0.029 1
1 1339 . 3 2 2 B 31 31 ARG H H 736 7.683 7.621 0.062 1
1 1340 . 3 2 2 B 31 31 ARG HA H 736 4.027 4.022 0.005 1
1 1348 . 3 2 2 B 31 31 ARG CA C 736 58.571 58.851 -0.280 1
1 1349 . 3 2 2 B 31 31 ARG CB C 736 30.068 29.922 0.146 1
1 1352 . 3 2 2 B 31 31 ARG N N 736 121.549 121.347 0.202 1
1 1354 . 3 2 2 B 32 32 ILE H H 737 7.703 7.240 0.463 1
1 1355 . 3 2 2 B 32 32 ILE HA H 737 3.859 3.884 -0.025 1
1 1365 . 3 2 2 B 32 32 ILE CA C 737 63.445 64.128 -0.683 1
1 1366 . 3 2 2 B 32 32 ILE CB C 737 38.332 38.174 0.158 1
1 1370 . 3 2 2 B 32 32 ILE N N 737 119.167 120.344 -1.177 1
1 1371 . 3 2 2 B 33 33 VAL H H 738 8.293 7.914 0.379 1
1 1372 . 3 2 2 B 33 33 VAL HA H 738 3.901 3.834 0.067 1
1 1380 . 3 2 2 B 33 33 VAL CA C 738 63.805 64.748 -0.943 1
1 1381 . 3 2 2 B 33 33 VAL CB C 738 32.408 31.749 0.659 1
1 1384 . 3 2 2 B 33 33 VAL N N 738 116.157 119.960 -3.803 1
1 1385 . 3 2 2 B 34 34 GLY H H 739 7.868 7.676 0.192 1
1 1386 . 3 2 2 B 34 34 GLY HA2 H 739 3.813 3.818 -0.005 1
1 1387 . 3 2 2 B 34 34 GLY HA3 H 739 4.120 3.843 0.277 1
1 1388 . 3 2 2 B 34 34 GLY CA C 739 44.831 46.449 -1.618 1
1 1389 . 3 2 2 B 34 34 GLY N N 739 108.258 110.479 -2.221 1
1 1390 . 3 2 2 B 35 35 SER H H 740 8.366 8.133 0.233 1
1 1391 . 3 2 2 B 35 35 SER HA H 740 4.389 3.886 0.503 1
1 1394 . 3 2 2 B 35 35 SER CA C 740 58.261 58.975 -0.714 1
1 1395 . 3 2 2 B 35 35 SER CB C 740 62.663 61.709 0.954 1
1 1396 . 3 2 2 B 35 35 SER N N 740 116.408 108.760 7.648 1
1 1397 . 3 2 2 B 36 36 VAL H H 741 7.897 7.386 0.511 1
1 1398 . 3 2 2 B 36 36 VAL HA H 741 4.054 3.846 0.208 1
1 1406 . 3 2 2 B 36 36 VAL CA C 741 61.737 66.106 -4.369 1
1 1407 . 3 2 2 B 36 36 VAL CB C 741 33.084 31.648 1.436 1
1 1410 . 3 2 2 B 36 36 VAL N N 741 122.928 118.641 4.287 1
1 1411 . 3 2 2 B 37 37 GLU H H 742 8.468 7.987 0.481 1
1 1412 . 3 2 2 B 37 37 GLU HA H 742 4.306 4.728 -0.422 1
1 1417 . 3 2 2 B 37 37 GLU CA C 742 55.803 55.934 -0.131 1
1 1418 . 3 2 2 B 37 37 GLU CB C 742 29.029 30.903 -1.874 1
1 1420 . 3 2 2 B 37 37 GLU N N 742 124.057 119.370 4.687 1
1 1421 . 3 2 2 B 38 38 PHE H H 743 8.222 7.988 0.234 1
1 1422 . 3 2 2 B 38 38 PHE HA H 743 4.360 4.052 0.308 1
1 1429 . 3 2 2 B 38 38 PHE CA C 743 59.263 61.767 -2.504 1
1 1430 . 3 2 2 B 38 38 PHE CB C 743 39.524 39.405 0.119 1
1 1433 . 3 2 2 B 38 38 PHE N N 743 122.427 121.762 0.665 1
1 1434 . 3 2 2 B 39 39 ASP H H 744 8.602 8.947 -0.345 1
1 1435 . 3 2 2 B 39 39 ASP HA H 744 4.380 4.426 -0.046 1
1 1438 . 3 2 2 B 39 39 ASP CA C 744 56.495 55.301 1.194 1
1 1439 . 3 2 2 B 39 39 ASP CB C 744 40.119 39.515 0.604 1
1 1440 . 3 2 2 B 39 39 ASP N N 744 120.044 117.446 2.598 1
1 1441 . 3 2 2 B 40 40 SER H H 745 8.143 7.817 0.326 1
1 1442 . 3 2 2 B 40 40 SER HA H 745 4.328 4.774 -0.446 1
1 1445 . 3 2 2 B 40 40 SER CA C 745 59.724 57.764 1.960 1
1 1446 . 3 2 2 B 40 40 SER CB C 745 62.723 64.575 -1.852 1
1 1447 . 3 2 2 B 40 40 SER N N 745 114.527 114.790 -0.263 1
1 1448 . 3 2 2 B 41 41 MET H H 746 7.930 7.528 0.402 1
1 1449 . 3 2 2 B 41 41 MET HA H 746 4.374 4.151 0.223 1
1 1457 . 3 2 2 B 41 41 MET CA C 746 56.244 58.089 -1.845 1
1 1458 . 3 2 2 B 41 41 MET CB C 746 32.502 31.759 0.743 1
1 1461 . 3 2 2 B 41 41 MET N N 746 120.044 121.521 -1.477 1
1 1462 . 3 2 2 B 42 42 MET H H 747 7.784 8.297 -0.513 1
1 1463 . 3 2 2 B 42 42 MET HA H 747 4.232 4.320 -0.088 1
1 1471 . 3 2 2 B 42 42 MET CA C 747 55.830 57.250 -1.420 1
1 1472 . 3 2 2 B 42 42 MET CB C 747 32.502 31.456 1.046 1
1 1475 . 3 2 2 B 42 42 MET N N 747 117.035 117.339 -0.304 1
1 1476 . 3 2 2 B 43 43 ASN H H 748 7.960 7.699 0.261 1
1 1477 . 3 2 2 B 43 43 ASN HA H 748 4.831 4.326 0.505 1
1 1482 . 3 2 2 B 43 43 ASN CA C 748 53.146 53.854 -0.708 1
1 1483 . 3 2 2 B 43 43 ASN CB C 748 38.795 39.176 -0.381 1
1 1484 . 3 2 2 B 43 43 ASN N N 748 117.537 118.580 -1.043 1
1 1486 . 3 2 2 B 44 44 THR H H 749 8.039 8.607 -0.568 1
1 1487 . 3 2 2 B 44 44 THR HA H 749 4.432 3.938 0.494 1
1 1492 . 3 2 2 B 44 44 THR CA C 749 61.570 65.622 -4.052 1
1 1493 . 3 2 2 B 44 44 THR CB C 749 69.644 66.612 3.032 1
1 1495 . 3 2 2 B 44 44 THR N N 749 114.026 112.880 1.146 1
1 6 . 4 1 1 A 2 2 PRO HA H 2 4.396 4.304 0.092 1
1 13 . 4 1 1 A 2 2 PRO CA C 2 65.107 65.891 -0.784 1
1 14 . 4 1 1 A 2 2 PRO CB C 2 31.810 31.355 0.455 1
1 17 . 4 1 1 A 3 3 GLN H H 3 8.509 8.391 0.118 1
1 18 . 4 1 1 A 3 3 GLN HA H 3 3.962 4.183 -0.221 1
1 25 . 4 1 1 A 3 3 GLN CA C 3 59.223 57.840 1.383 1
1 26 . 4 1 1 A 3 3 GLN CB C 3 28.119 28.625 -0.506 1
1 28 . 4 1 1 A 3 3 GLN N N 3 117.064 117.848 -0.784 1
1 30 . 4 1 1 A 4 4 GLU H H 4 7.950 8.323 -0.373 1
1 31 . 4 1 1 A 4 4 GLU HA H 4 4.105 4.068 0.037 1
1 36 . 4 1 1 A 4 4 GLU CA C 4 58.778 59.389 -0.611 1
1 37 . 4 1 1 A 4 4 GLU CB C 4 29.734 29.450 0.284 1
1 39 . 4 1 1 A 4 4 GLU N N 4 121.574 121.586 -0.012 1
1 40 . 4 1 1 A 5 5 SER H H 5 8.511 7.661 0.850 1
1 41 . 4 1 1 A 5 5 SER HA H 5 4.238 4.101 0.137 1
1 44 . 4 1 1 A 5 5 SER CA C 5 61.377 61.817 -0.440 1
1 45 . 4 1 1 A 5 5 SER CB C 5 62.351 62.825 -0.474 1
1 46 . 4 1 1 A 5 5 SER N N 5 115.674 116.089 -0.415 1
1 47 . 4 1 1 A 6 6 ARG H H 6 8.276 7.420 0.856 1
1 48 . 4 1 1 A 6 6 ARG HA H 6 4.324 4.177 0.147 1
1 55 . 4 1 1 A 6 6 ARG CA C 6 58.988 59.297 -0.309 1
1 56 . 4 1 1 A 6 6 ARG CB C 6 30.426 30.378 0.048 1
1 59 . 4 1 1 A 6 6 ARG N N 6 122.441 121.771 0.670 1
1 60 . 4 1 1 A 7 7 ARG H H 7 8.015 7.967 0.048 1
1 61 . 4 1 1 A 7 7 ARG HA H 7 3.955 4.101 -0.146 1
1 68 . 4 1 1 A 7 7 ARG CA C 7 59.724 59.034 0.690 1
1 69 . 4 1 1 A 7 7 ARG CB C 7 29.965 30.035 -0.070 1
1 72 . 4 1 1 A 7 7 ARG N N 7 119.491 119.829 -0.338 1
1 73 . 4 1 1 A 8 8 LEU H H 8 8.158 8.447 -0.289 1
1 74 . 4 1 1 A 8 8 LEU HA H 8 4.161 4.144 0.017 1
1 84 . 4 1 1 A 8 8 LEU CA C 8 57.686 57.652 0.034 1
1 85 . 4 1 1 A 8 8 LEU CB C 8 41.312 41.293 0.019 1
1 89 . 4 1 1 A 8 8 LEU N N 8 120.359 119.859 0.500 1
1 90 . 4 1 1 A 9 9 SER H H 9 8.090 7.790 0.300 1
1 91 . 4 1 1 A 9 9 SER HA H 9 4.292 4.199 0.093 1
1 94 . 4 1 1 A 9 9 SER CA C 9 61.570 62.313 -0.743 1
1 95 . 4 1 1 A 9 9 SER CB C 9 62.493 62.989 -0.496 1
1 96 . 4 1 1 A 9 9 SER N N 9 116.178 114.538 1.640 1
1 97 . 4 1 1 A 10 10 ILE H H 10 8.396 7.901 0.495 1
1 98 . 4 1 1 A 10 10 ILE HA H 10 3.505 3.570 -0.065 1
1 108 . 4 1 1 A 10 10 ILE CA C 10 65.608 65.020 0.588 1
1 109 . 4 1 1 A 10 10 ILE CB C 10 37.706 37.291 0.415 1
1 113 . 4 1 1 A 10 10 ILE N N 10 122.840 121.408 1.432 1
1 114 . 4 1 1 A 11 11 GLN H H 11 8.142 7.864 0.278 1
1 115 . 4 1 1 A 11 11 GLN HA H 11 4.032 4.046 -0.014 1
1 122 . 4 1 1 A 11 11 GLN CA C 11 59.060 59.218 -0.158 1
1 123 . 4 1 1 A 11 11 GLN CB C 11 27.888 28.455 -0.567 1
1 125 . 4 1 1 A 11 11 GLN N N 11 119.144 118.975 0.169 1
1 127 . 4 1 1 A 12 12 ARG H H 12 8.330 7.673 0.657 1
1 128 . 4 1 1 A 12 12 ARG HA H 12 4.179 4.036 0.143 1
1 135 . 4 1 1 A 12 12 ARG CA C 12 59.494 59.191 0.303 1
1 136 . 4 1 1 A 12 12 ARG CB C 12 29.734 29.956 -0.222 1
1 138 . 4 1 1 A 12 12 ARG N N 12 120.186 118.857 1.329 1
1 139 . 4 1 1 A 13 13 CYS H H 13 8.242 7.891 0.351 1
1 140 . 4 1 1 A 13 13 CYS HA H 13 4.231 4.093 0.138 1
1 143 . 4 1 1 A 13 13 CYS CA C 13 63.289 63.939 -0.650 1
1 144 . 4 1 1 A 13 13 CYS CB C 13 26.505 27.169 -0.664 1
1 145 . 4 1 1 A 13 13 CYS N N 13 121.574 119.992 1.582 1
1 146 . 4 1 1 A 14 14 ILE H H 14 8.493 8.442 0.051 1
1 147 . 4 1 1 A 14 14 ILE HA H 14 3.787 3.566 0.221 1
1 157 . 4 1 1 A 14 14 ILE CA C 14 64.269 65.301 -1.032 1
1 158 . 4 1 1 A 14 14 ILE CB C 14 36.597 37.687 -1.090 1
1 162 . 4 1 1 A 14 14 ILE N N 14 120.012 119.808 0.204 1
1 163 . 4 1 1 A 15 15 GLN H H 15 8.468 8.404 0.064 1
1 164 . 4 1 1 A 15 15 GLN HA H 15 4.107 3.957 0.150 1
1 171 . 4 1 1 A 15 15 GLN CA C 15 58.969 58.996 -0.027 1
1 172 . 4 1 1 A 15 15 GLN CB C 15 27.843 28.568 -0.725 1
1 174 . 4 1 1 A 15 15 GLN N N 15 119.665 118.955 0.710 1
1 176 . 4 1 1 A 16 16 SER H H 16 8.409 8.065 0.344 1
1 177 . 4 1 1 A 16 16 SER HA H 16 4.424 4.120 0.304 1
1 180 . 4 1 1 A 16 16 SER CA C 16 61.726 62.504 -0.778 1
1 181 . 4 1 1 A 16 16 SER CB C 16 62.564 63.037 -0.473 1
1 182 . 4 1 1 A 16 16 SER N N 16 117.062 116.054 1.008 1
1 183 . 4 1 1 A 17 17 LEU H H 17 8.235 8.067 0.168 1
1 184 . 4 1 1 A 17 17 LEU HA H 17 4.103 4.081 0.022 1
1 194 . 4 1 1 A 17 17 LEU CA C 17 58.340 57.856 0.484 1
1 195 . 4 1 1 A 17 17 LEU CB C 17 41.961 41.628 0.333 1
1 199 . 4 1 1 A 17 17 LEU N N 17 125.564 122.823 2.741 1
1 200 . 4 1 1 A 18 18 VAL H H 18 8.603 8.307 0.296 1
1 201 . 4 1 1 A 18 18 VAL HA H 18 3.261 3.552 -0.291 1
1 209 . 4 1 1 A 18 18 VAL CA C 18 67.097 66.514 0.583 1
1 210 . 4 1 1 A 18 18 VAL CB C 18 31.589 31.506 0.083 1
1 213 . 4 1 1 A 18 18 VAL N N 18 119.665 118.841 0.824 1
1 214 . 4 1 1 A 19 19 HIS H H 19 8.083 8.252 -0.169 1
1 215 . 4 1 1 A 19 19 HIS HA H 19 4.231 4.157 0.074 1
1 219 . 4 1 1 A 19 19 HIS CA C 19 59.641 60.175 -0.534 1
1 220 . 4 1 1 A 19 19 HIS CB C 19 26.966 29.676 -2.710 1
1 222 . 4 1 1 A 19 19 HIS N N 19 116.094 119.326 -3.232 1
1 223 . 4 1 1 A 20 20 ALA H H 20 8.796 8.414 0.382 1
1 224 . 4 1 1 A 20 20 ALA HA H 20 4.308 3.986 0.322 1
1 228 . 4 1 1 A 20 20 ALA CA C 20 55.341 55.162 0.179 1
1 229 . 4 1 1 A 20 20 ALA CB C 20 20.026 18.306 1.720 1
1 230 . 4 1 1 A 20 20 ALA N N 20 121.747 120.389 1.358 1
1 231 . 4 1 1 A 21 21 CYS H H 21 7.909 8.021 -0.112 1
1 232 . 4 1 1 A 21 21 CYS HA H 21 4.294 4.232 0.062 1
1 235 . 4 1 1 A 21 21 CYS CA C 21 61.665 62.259 -0.594 1
1 236 . 4 1 1 A 21 21 CYS CB C 21 26.764 27.017 -0.253 1
1 237 . 4 1 1 A 21 21 CYS N N 21 111.875 115.828 -3.953 1
1 238 . 4 1 1 A 22 22 GLN H H 22 7.357 7.425 -0.068 1
1 239 . 4 1 1 A 22 22 GLN HA H 22 4.531 4.317 0.214 1
1 246 . 4 1 1 A 22 22 GLN CA C 22 54.445 56.205 -1.760 1
1 247 . 4 1 1 A 22 22 GLN CB C 22 30.608 30.267 0.341 1
1 249 . 4 1 1 A 22 22 GLN N N 22 116.021 116.572 -0.551 1
1 251 . 4 1 1 A 23 23 CYS H H 23 7.229 7.619 -0.390 1
1 252 . 4 1 1 A 23 23 CYS HA H 23 3.947 4.314 -0.367 1
1 255 . 4 1 1 A 23 23 CYS CA C 23 59.996 59.301 0.695 1
1 256 . 4 1 1 A 23 23 CYS CB C 23 29.000 28.436 0.564 1
1 257 . 4 1 1 A 23 23 CYS N N 23 124.350 118.676 5.674 1
1 258 . 4 1 1 A 24 24 ARG H H 24 8.966 8.749 0.217 1
1 259 . 4 1 1 A 24 24 ARG HA H 24 4.590 4.599 -0.009 1
1 266 . 4 1 1 A 24 24 ARG CA C 24 54.306 56.112 -1.806 1
1 267 . 4 1 1 A 24 24 ARG CB C 24 29.771 32.082 -2.311 1
1 270 . 4 1 1 A 24 24 ARG N N 24 129.729 123.517 6.212 1
1 271 . 4 1 1 A 25 25 ASN H H 25 7.823 7.061 0.762 1
1 272 . 4 1 1 A 25 25 ASN HA H 25 4.853 4.603 0.250 1
1 277 . 4 1 1 A 25 25 ASN CA C 25 51.372 53.758 -2.386 1
1 278 . 4 1 1 A 25 25 ASN CB C 25 38.727 38.980 -0.253 1
1 279 . 4 1 1 A 25 25 ASN N N 25 120.186 118.963 1.223 1
1 281 . 4 1 1 A 26 26 ALA H H 26 9.248 8.938 0.310 1
1 282 . 4 1 1 A 26 26 ALA HA H 26 4.091 4.092 -0.001 1
1 286 . 4 1 1 A 26 26 ALA CA C 26 54.027 54.586 -0.559 1
1 287 . 4 1 1 A 26 26 ALA CB C 26 18.209 18.537 -0.328 1
1 288 . 4 1 1 A 26 26 ALA N N 26 130.423 125.829 4.594 1
1 289 . 4 1 1 A 27 27 ASN H H 27 8.085 7.984 0.101 1
1 290 . 4 1 1 A 27 27 ASN HA H 27 4.834 5.003 -0.169 1
1 295 . 4 1 1 A 27 27 ASN CA C 27 51.625 52.204 -0.579 1
1 296 . 4 1 1 A 27 27 ASN CB C 27 38.577 39.407 -0.830 1
1 297 . 4 1 1 A 27 27 ASN N N 27 113.766 115.587 -1.821 1
1 299 . 4 1 1 A 28 28 CYS H H 28 7.209 7.662 -0.453 1
1 300 . 4 1 1 A 28 28 CYS HA H 28 4.053 4.361 -0.308 1
1 303 . 4 1 1 A 28 28 CYS CA C 28 61.312 59.734 1.578 1
1 304 . 4 1 1 A 28 28 CYS CB C 28 29.674 29.069 0.605 1
1 305 . 4 1 1 A 28 28 CYS N N 28 123.309 120.776 2.533 1
1 306 . 4 1 1 A 29 29 SER H H 29 8.922 8.592 0.330 1
1 307 . 4 1 1 A 29 29 SER HA H 29 4.609 4.202 0.407 1
1 310 . 4 1 1 A 29 29 SER CA C 29 57.450 60.833 -3.383 1
1 311 . 4 1 1 A 29 29 SER CB C 29 63.604 62.891 0.713 1
1 312 . 4 1 1 A 29 29 SER N N 29 124.870 119.602 5.268 1
1 313 . 4 1 1 A 30 30 LEU H H 30 8.513 7.594 0.919 1
1 314 . 4 1 1 A 30 30 LEU HA H 30 4.497 4.421 0.076 1
1 324 . 4 1 1 A 30 30 LEU CA C 30 53.980 52.784 1.196 1
1 325 . 4 1 1 A 30 30 LEU CB C 30 40.643 41.661 -1.018 1
1 329 . 4 1 1 A 30 30 LEU N N 30 128.341 125.103 3.238 1
1 330 . 4 1 1 A 31 31 PRO HA H 31 4.329 4.309 0.020 1
1 337 . 4 1 1 A 31 31 PRO CA C 31 65.026 64.719 0.307 1
1 338 . 4 1 1 A 31 31 PRO CB C 31 31.580 32.228 -0.648 1
1 341 . 4 1 1 A 32 32 SER H H 32 8.537 8.129 0.408 1
1 342 . 4 1 1 A 32 32 SER HA H 32 4.287 4.197 0.090 1
1 345 . 4 1 1 A 32 32 SER CA C 32 60.277 61.432 -1.155 1
1 346 . 4 1 1 A 32 32 SER CB C 32 62.277 62.506 -0.229 1
1 347 . 4 1 1 A 32 32 SER N N 32 112.551 112.007 0.544 1
1 348 . 4 1 1 A 33 33 CYS H H 33 7.523 8.077 -0.554 1
1 349 . 4 1 1 A 33 33 CYS HA H 33 4.170 3.934 0.236 1
1 352 . 4 1 1 A 33 33 CYS CA C 33 63.408 62.904 0.504 1
1 353 . 4 1 1 A 33 33 CYS CB C 33 29.503 26.519 2.984 1
1 354 . 4 1 1 A 33 33 CYS N N 33 126.085 120.586 5.499 1
1 355 . 4 1 1 A 34 34 GLN H H 34 8.102 7.888 0.214 1
1 356 . 4 1 1 A 34 34 GLN HA H 34 3.963 4.076 -0.113 1
1 359 . 4 1 1 A 34 34 GLN N N 34 115.711 118.946 -3.235 1
1 361 . 4 1 1 A 35 35 LYS H H 35 8.093 7.801 0.292 1
1 362 . 4 1 1 A 35 35 LYS HA H 35 3.994 4.171 -0.177 1
1 371 . 4 1 1 A 35 35 LYS CA C 35 59.502 58.750 0.752 1
1 372 . 4 1 1 A 35 35 LYS CB C 35 32.273 32.674 -0.401 1
1 376 . 4 1 1 A 35 35 LYS N N 35 117.930 120.465 -2.535 1
1 377 . 4 1 1 A 36 36 MET H H 36 8.237 8.657 -0.420 1
1 378 . 4 1 1 A 36 36 MET HA H 36 4.488 4.086 0.402 1
1 386 . 4 1 1 A 36 36 MET CA C 36 56.725 59.311 -2.586 1
1 387 . 4 1 1 A 36 36 MET CB C 36 30.954 32.659 -1.705 1
1 390 . 4 1 1 A 36 36 MET N N 36 117.062 118.772 -1.710 1
1 391 . 4 1 1 A 37 37 LYS H H 37 9.107 7.991 1.116 1
1 392 . 4 1 1 A 37 37 LYS HA H 37 3.900 4.012 -0.112 1
1 401 . 4 1 1 A 37 37 LYS CA C 37 61.097 60.003 1.094 1
1 402 . 4 1 1 A 37 37 LYS CB C 37 32.947 32.328 0.619 1
1 406 . 4 1 1 A 37 37 LYS N N 37 120.186 119.263 0.923 1
1 407 . 4 1 1 A 38 38 ARG H H 38 7.781 7.923 -0.142 1
1 408 . 4 1 1 A 38 38 ARG HA H 38 4.127 4.095 0.032 1
1 413 . 4 1 1 A 38 38 ARG CA C 38 59.263 59.343 -0.080 1
1 414 . 4 1 1 A 38 38 ARG CB C 38 29.965 29.979 -0.014 1
1 416 . 4 1 1 A 38 38 ARG N N 38 118.971 119.686 -0.715 1
1 417 . 4 1 1 A 39 39 VAL H H 39 8.289 7.756 0.533 1
1 418 . 4 1 1 A 39 39 VAL HA H 39 3.539 3.729 -0.190 1
1 426 . 4 1 1 A 39 39 VAL CA C 39 66.989 66.509 0.480 1
1 427 . 4 1 1 A 39 39 VAL CB C 39 31.451 31.704 -0.253 1
1 430 . 4 1 1 A 39 39 VAL N N 39 123.829 120.206 3.623 1
1 431 . 4 1 1 A 40 40 VAL H H 40 8.318 8.374 -0.056 1
1 432 . 4 1 1 A 40 40 VAL HA H 40 3.528 3.789 -0.261 1
1 440 . 4 1 1 A 40 40 VAL CA C 40 67.050 65.273 1.777 1
1 441 . 4 1 1 A 40 40 VAL CB C 40 31.608 31.373 0.235 1
1 444 . 4 1 1 A 40 40 VAL N N 40 119.665 120.400 -0.735 1
1 445 . 4 1 1 A 41 41 GLN H H 41 8.263 8.129 0.134 1
1 446 . 4 1 1 A 41 41 GLN HA H 41 3.974 3.923 0.051 1
1 453 . 4 1 1 A 41 41 GLN CA C 41 58.571 59.303 -0.732 1
1 454 . 4 1 1 A 41 41 GLN CB C 41 28.018 28.396 -0.378 1
1 456 . 4 1 1 A 41 41 GLN N N 41 118.450 121.829 -3.379 1
1 458 . 4 1 1 A 42 42 HIS H H 42 8.309 8.197 0.112 1
1 459 . 4 1 1 A 42 42 HIS HA H 42 4.215 4.310 -0.095 1
1 463 . 4 1 1 A 42 42 HIS CA C 42 59.402 59.419 -0.017 1
1 464 . 4 1 1 A 42 42 HIS CB C 42 26.966 30.454 -3.488 1
1 466 . 4 1 1 A 42 42 HIS N N 42 118.971 119.791 -0.820 1
1 467 . 4 1 1 A 43 43 THR H H 43 8.056 8.107 -0.051 1
1 468 . 4 1 1 A 43 43 THR HA H 43 3.929 3.705 0.224 1
1 474 . 4 1 1 A 43 43 THR CA C 43 66.101 67.108 -1.007 1
1 475 . 4 1 1 A 43 43 THR CB C 43 69.107 68.217 0.890 1
1 477 . 4 1 1 A 43 43 THR N N 43 114.320 113.134 1.186 1
1 478 . 4 1 1 A 44 44 LYS H H 44 7.531 7.959 -0.428 1
1 479 . 4 1 1 A 44 44 LYS HA H 44 4.085 4.125 -0.040 1
1 488 . 4 1 1 A 44 44 LYS CA C 44 58.682 58.918 -0.236 1
1 489 . 4 1 1 A 44 44 LYS CB C 44 32.024 32.418 -0.394 1
1 493 . 4 1 1 A 44 44 LYS N N 44 120.012 119.634 0.378 1
1 494 . 4 1 1 A 45 45 GLY H H 45 7.143 7.577 -0.434 1
1 495 . 4 1 1 A 45 45 GLY HA2 H 45 3.625 4.026 -0.401 1
1 496 . 4 1 1 A 45 45 GLY HA3 H 45 4.387 4.039 0.348 1
1 497 . 4 1 1 A 45 45 GLY CA C 45 44.289 45.305 -1.016 1
1 498 . 4 1 1 A 45 45 GLY N N 45 103.528 106.744 -3.216 1
1 499 . 4 1 1 A 46 46 CYS H H 46 6.988 7.207 -0.219 1
1 500 . 4 1 1 A 46 46 CYS HA H 46 3.955 4.390 -0.435 1
1 503 . 4 1 1 A 46 46 CYS CA C 46 60.654 59.343 1.311 1
1 504 . 4 1 1 A 46 46 CYS CB C 46 29.793 28.035 1.758 1
1 505 . 4 1 1 A 46 46 CYS N N 46 123.656 120.081 3.575 1
1 506 . 4 1 1 A 47 47 LYS H H 47 9.060 8.799 0.261 1
1 507 . 4 1 1 A 47 47 LYS HA H 47 4.489 4.532 -0.043 1
1 516 . 4 1 1 A 47 47 LYS CA C 47 56.127 56.171 -0.044 1
1 517 . 4 1 1 A 47 47 LYS CB C 47 32.393 32.438 -0.045 1
1 521 . 4 1 1 A 47 47 LYS N N 47 127.820 126.637 1.183 1
1 522 . 4 1 1 A 48 48 ARG H H 48 8.537 7.527 1.010 1
1 523 . 4 1 1 A 48 48 ARG HA H 48 4.330 4.226 0.104 1
1 530 . 4 1 1 A 48 48 ARG CA C 48 57.648 58.595 -0.947 1
1 531 . 4 1 1 A 48 48 ARG CB C 48 31.810 30.759 1.051 1
1 534 . 4 1 1 A 48 48 ARG N N 48 122.615 117.748 4.867 1
1 535 . 4 1 1 A 49 49 LYS H H 49 8.522 7.702 0.820 1
1 536 . 4 1 1 A 49 49 LYS HA H 49 4.554 4.244 0.310 1
1 545 . 4 1 1 A 49 49 LYS CA C 49 57.417 56.998 0.419 1
1 546 . 4 1 1 A 49 49 LYS CB C 49 31.543 31.890 -0.347 1
1 550 . 4 1 1 A 49 49 LYS N N 49 117.583 119.495 -1.912 1
1 551 . 4 1 1 A 50 50 THR H H 50 7.992 8.874 -0.882 1
1 552 . 4 1 1 A 50 50 THR HA H 50 4.127 3.906 0.221 1
1 557 . 4 1 1 A 50 50 THR CA C 50 63.985 65.956 -1.971 1
1 558 . 4 1 1 A 50 50 THR CB C 50 68.157 68.308 -0.151 1
1 560 . 4 1 1 A 50 50 THR N N 50 113.245 113.141 0.104 1
1 561 . 4 1 1 A 51 51 ASN H H 51 8.888 8.313 0.575 1
1 562 . 4 1 1 A 51 51 ASN HA H 51 4.665 4.467 0.198 1
1 567 . 4 1 1 A 51 51 ASN CA C 51 54.159 55.940 -1.781 1
1 568 . 4 1 1 A 51 51 ASN CB C 51 37.857 38.546 -0.689 1
1 570 . 4 1 1 A 52 52 GLY H H 52 7.972 7.802 0.170 1
1 571 . 4 1 1 A 52 52 GLY HA2 H 52 3.893 4.030 -0.137 1
1 572 . 4 1 1 A 52 52 GLY HA3 H 52 4.101 4.033 0.068 1
1 573 . 4 1 1 A 52 52 GLY CA C 52 45.368 45.616 -0.248 1
1 574 . 4 1 1 A 52 52 GLY N N 52 106.651 105.910 0.741 1
1 575 . 4 1 1 A 53 53 GLY H H 53 7.765 8.118 -0.353 1
1 576 . 4 1 1 A 53 53 GLY HA2 H 53 3.837 4.065 -0.228 1
1 577 . 4 1 1 A 53 53 GLY HA3 H 53 4.079 4.066 0.013 1
1 578 . 4 1 1 A 53 53 GLY CA C 53 45.227 44.901 0.326 1
1 579 . 4 1 1 A 53 53 GLY N N 53 107.519 106.810 0.709 1
1 580 . 4 1 1 A 54 54 CYS H H 54 8.099 7.693 0.406 1
1 581 . 4 1 1 A 54 54 CYS HA H 54 4.720 4.535 0.185 1
1 584 . 4 1 1 A 54 54 CYS CA C 54 55.572 57.472 -1.900 1
1 585 . 4 1 1 A 54 54 CYS CB C 54 30.216 28.718 1.498 1
1 586 . 4 1 1 A 54 54 CYS N N 54 122.615 119.806 2.809 1
1 587 . 4 1 1 A 55 55 PRO HA H 55 4.237 4.474 -0.237 1
1 594 . 4 1 1 A 55 55 PRO CA C 55 64.757 64.066 0.691 1
1 595 . 4 1 1 A 55 55 PRO CB C 55 32.311 32.012 0.299 1
1 598 . 4 1 1 A 56 56 VAL H H 56 7.645 7.200 0.445 1
1 599 . 4 1 1 A 56 56 VAL HA H 56 3.384 3.737 -0.353 1
1 607 . 4 1 1 A 56 56 VAL CA C 56 66.184 65.826 0.358 1
1 608 . 4 1 1 A 56 56 VAL CB C 56 32.502 31.618 0.884 1
1 611 . 4 1 1 A 56 56 VAL N N 56 121.227 116.620 4.607 1
1 612 . 4 1 1 A 57 57 CYS H H 57 8.565 7.862 0.703 1
1 613 . 4 1 1 A 57 57 CYS HA H 57 4.034 4.145 -0.111 1
1 616 . 4 1 1 A 57 57 CYS CA C 57 65.746 63.847 1.899 1
1 617 . 4 1 1 A 57 57 CYS CB C 57 29.273 27.258 2.015 1
1 618 . 4 1 1 A 57 57 CYS N N 57 122.615 117.846 4.769 1
1 619 . 4 1 1 A 58 58 LYS H H 58 7.956 7.731 0.225 1
1 620 . 4 1 1 A 58 58 LYS HA H 58 3.874 3.936 -0.062 1
1 629 . 4 1 1 A 58 58 LYS CA C 58 59.955 59.783 0.172 1
1 630 . 4 1 1 A 58 58 LYS CB C 58 32.272 32.148 0.124 1
1 634 . 4 1 1 A 58 58 LYS N N 58 116.889 119.773 -2.884 1
1 635 . 4 1 1 A 59 59 GLN H H 59 7.359 7.671 -0.312 1
1 636 . 4 1 1 A 59 59 GLN HA H 59 3.789 4.018 -0.229 1
1 643 . 4 1 1 A 59 59 GLN CA C 59 60.647 58.904 1.743 1
1 644 . 4 1 1 A 59 59 GLN CB C 59 27.196 28.067 -0.871 1
1 646 . 4 1 1 A 59 59 GLN N N 59 116.889 119.415 -2.526 1
1 648 . 4 1 1 A 60 60 LEU H H 60 8.303 7.648 0.655 1
1 649 . 4 1 1 A 60 60 LEU HA H 60 4.093 4.005 0.088 1
1 659 . 4 1 1 A 60 60 LEU CA C 60 58.110 57.941 0.169 1
1 660 . 4 1 1 A 60 60 LEU CB C 60 40.807 41.964 -1.157 1
1 664 . 4 1 1 A 60 60 LEU N N 60 118.103 119.408 -1.305 1
1 665 . 4 1 1 A 61 61 ILE H H 61 8.804 7.879 0.925 1
1 666 . 4 1 1 A 61 61 ILE HA H 61 3.801 3.465 0.336 1
1 676 . 4 1 1 A 61 61 ILE CA C 61 63.416 65.644 -2.228 1
1 677 . 4 1 1 A 61 61 ILE CB C 61 36.886 37.717 -0.831 1
1 681 . 4 1 1 A 61 61 ILE N N 61 118.624 118.583 0.041 1
1 682 . 4 1 1 A 62 62 ALA H H 62 7.796 7.937 -0.141 1
1 683 . 4 1 1 A 62 62 ALA HA H 62 4.058 4.113 -0.055 1
1 687 . 4 1 1 A 62 62 ALA CA C 62 56.030 55.370 0.660 1
1 688 . 4 1 1 A 62 62 ALA CB C 62 18.068 18.321 -0.253 1
1 689 . 4 1 1 A 62 62 ALA N N 62 124.003 122.921 1.082 1
1 690 . 4 1 1 A 63 63 LEU H H 63 8.011 7.833 0.178 1
1 691 . 4 1 1 A 63 63 LEU HA H 63 4.077 4.095 -0.018 1
1 701 . 4 1 1 A 63 63 LEU CA C 63 58.110 57.851 0.259 1
1 702 . 4 1 1 A 63 63 LEU CB C 63 42.116 41.227 0.889 1
1 706 . 4 1 1 A 63 63 LEU N N 63 117.583 119.445 -1.862 1
1 707 . 4 1 1 A 64 64 CYS H H 64 8.818 8.636 0.182 1
1 708 . 4 1 1 A 64 64 CYS HA H 64 4.053 4.249 -0.196 1
1 711 . 4 1 1 A 64 64 CYS CA C 64 64.800 62.806 1.994 1
1 712 . 4 1 1 A 64 64 CYS CB C 64 26.504 26.866 -0.362 1
1 713 . 4 1 1 A 64 64 CYS N N 64 118.277 116.938 1.339 1
1 714 . 4 1 1 A 65 65 CYS H H 65 8.793 8.659 0.134 1
1 715 . 4 1 1 A 65 65 CYS HA H 65 4.258 4.134 0.124 1
1 718 . 4 1 1 A 65 65 CYS CA C 65 63.646 63.896 -0.250 1
1 719 . 4 1 1 A 65 65 CYS CB C 65 26.966 26.620 0.346 1
1 720 . 4 1 1 A 65 65 CYS N N 65 118.971 119.349 -0.378 1
1 721 . 4 1 1 A 66 66 TYR H H 66 8.369 8.425 -0.056 1
1 722 . 4 1 1 A 66 66 TYR HA H 66 4.034 4.218 -0.184 1
1 729 . 4 1 1 A 66 66 TYR CA C 66 60.886 61.796 -0.910 1
1 730 . 4 1 1 A 66 66 TYR CB C 66 37.808 38.646 -0.838 1
1 733 . 4 1 1 A 66 66 TYR N N 66 121.574 122.493 -0.919 1
1 734 . 4 1 1 A 67 67 HIS H H 67 8.633 7.678 0.955 1
1 735 . 4 1 1 A 67 67 HIS HA H 67 4.318 4.255 0.063 1
1 740 . 4 1 1 A 67 67 HIS CA C 67 58.998 59.779 -0.781 1
1 741 . 4 1 1 A 67 67 HIS CB C 67 27.409 30.230 -2.821 1
1 744 . 4 1 1 A 67 67 HIS N N 67 117.409 118.970 -1.561 1
1 745 . 4 1 1 A 68 68 ALA H H 68 8.725 8.917 -0.192 1
1 746 . 4 1 1 A 68 68 ALA HA H 68 4.019 3.921 0.098 1
1 750 . 4 1 1 A 68 68 ALA CA C 68 54.690 55.344 -0.654 1
1 751 . 4 1 1 A 68 68 ALA CB C 68 19.964 18.578 1.386 1
1 752 . 4 1 1 A 68 68 ALA N N 68 122.094 120.875 1.219 1
1 753 . 4 1 1 A 69 69 LYS H H 69 7.362 8.155 -0.793 1
1 754 . 4 1 1 A 69 69 LYS HA H 69 3.736 4.001 -0.265 1
1 763 . 4 1 1 A 69 69 LYS CA C 69 58.137 59.358 -1.221 1
1 764 . 4 1 1 A 69 69 LYS CB C 69 32.224 32.301 -0.077 1
1 768 . 4 1 1 A 69 69 LYS N N 69 114.807 117.802 -2.995 1
1 769 . 4 1 1 A 70 70 HIS H H 70 7.011 7.874 -0.863 1
1 770 . 4 1 1 A 70 70 HIS HA H 70 4.697 4.175 0.522 1
1 774 . 4 1 1 A 70 70 HIS CA C 70 54.835 58.835 -4.000 1
1 775 . 4 1 1 A 70 70 HIS CB C 70 30.477 30.147 0.330 1
1 777 . 4 1 1 A 70 70 HIS N N 70 112.898 119.501 -6.603 1
1 778 . 4 1 1 A 71 71 CYS H H 71 7.012 7.504 -0.492 1
1 779 . 4 1 1 A 71 71 CYS HA H 71 4.032 4.245 -0.213 1
1 782 . 4 1 1 A 71 71 CYS CA C 71 59.948 59.947 0.001 1
1 783 . 4 1 1 A 71 71 CYS CB C 71 29.752 28.012 1.740 1
1 784 . 4 1 1 A 71 71 CYS N N 71 123.829 118.885 4.944 1
1 785 . 4 1 1 A 72 72 GLN H H 72 9.181 8.857 0.324 1
1 786 . 4 1 1 A 72 72 GLN HA H 72 4.674 4.571 0.103 1
1 793 . 4 1 1 A 72 72 GLN CA C 72 54.224 55.549 -1.325 1
1 794 . 4 1 1 A 72 72 GLN CB C 72 29.049 30.597 -1.548 1
1 796 . 4 1 1 A 72 72 GLN N N 72 128.341 122.446 5.895 1
1 798 . 4 1 1 A 73 73 GLU H H 73 8.396 7.232 1.164 1
1 799 . 4 1 1 A 73 73 GLU HA H 73 4.389 4.306 0.083 1
1 804 . 4 1 1 A 73 73 GLU CA C 73 55.341 56.764 -1.423 1
1 805 . 4 1 1 A 73 73 GLU CB C 73 30.239 31.094 -0.855 1
1 807 . 4 1 1 A 73 73 GLU N N 73 123.309 122.348 0.961 1
1 808 . 4 1 1 A 74 74 ASN H H 74 8.921 9.077 -0.156 1
1 809 . 4 1 1 A 74 74 ASN HA H 74 4.538 4.915 -0.377 1
1 814 . 4 1 1 A 74 74 ASN CA C 74 54.666 53.847 0.819 1
1 815 . 4 1 1 A 74 74 ASN CB C 74 38.301 39.575 -1.274 1
1 816 . 4 1 1 A 74 74 ASN N N 74 124.870 125.379 -0.509 1
1 818 . 4 1 1 A 75 75 LYS H H 75 8.847 7.836 1.011 1
1 819 . 4 1 1 A 75 75 LYS HA H 75 4.442 4.639 -0.197 1
1 828 . 4 1 1 A 75 75 LYS CA C 75 54.327 55.354 -1.027 1
1 829 . 4 1 1 A 75 75 LYS CB C 75 30.837 33.234 -2.397 1
1 833 . 4 1 1 A 75 75 LYS N N 75 121.574 115.745 5.829 1
1 834 . 4 1 1 A 76 76 CYS H H 76 7.191 7.372 -0.181 1
1 835 . 4 1 1 A 76 76 CYS HA H 76 4.389 4.436 -0.047 1
1 838 . 4 1 1 A 76 76 CYS CA C 76 57.270 57.691 -0.421 1
1 839 . 4 1 1 A 76 76 CYS CB C 76 30.613 28.311 2.302 1
1 840 . 4 1 1 A 76 76 CYS N N 76 124.350 121.585 2.765 1
1 841 . 4 1 1 A 77 77 PRO HA H 77 4.673 4.474 0.199 1
1 848 . 4 1 1 A 77 77 PRO CA C 77 62.878 64.297 -1.419 1
1 849 . 4 1 1 A 77 77 PRO CB C 77 31.950 31.990 -0.040 1
1 852 . 4 1 1 A 78 78 VAL H H 78 8.974 7.767 1.207 1
1 853 . 4 1 1 A 78 78 VAL HA H 78 4.187 4.179 0.008 1
1 861 . 4 1 1 A 78 78 VAL CA C 78 61.637 61.091 0.546 1
1 862 . 4 1 1 A 78 78 VAL CB C 78 31.654 32.261 -0.607 1
1 865 . 4 1 1 A 78 78 VAL N N 78 128.688 119.748 8.940 1
1 866 . 4 1 1 A 79 79 PRO HA H 79 3.938 4.237 -0.299 1
1 873 . 4 1 1 A 79 79 PRO CA C 79 63.962 65.039 -1.077 1
1 874 . 4 1 1 A 79 79 PRO CB C 79 30.887 31.950 -1.063 1
1 877 . 4 1 1 A 80 80 PHE HA H 80 4.350 4.291 0.059 1
1 884 . 4 1 1 A 80 80 PHE CA C 80 59.032 60.274 -1.242 1
1 885 . 4 1 1 A 80 80 PHE CB C 80 37.686 38.319 -0.633 1
1 888 . 4 1 1 A 81 81 CYS H H 81 7.686 8.307 -0.621 1
1 889 . 4 1 1 A 81 81 CYS HA H 81 4.001 4.115 -0.114 1
1 892 . 4 1 1 A 81 81 CYS CA C 81 64.779 62.580 2.199 1
1 893 . 4 1 1 A 81 81 CYS CB C 81 29.524 26.343 3.181 1
1 894 . 4 1 1 A 81 81 CYS N N 81 124.176 118.761 5.415 1
1 895 . 4 1 1 A 82 82 LEU H H 82 8.267 8.384 -0.117 1
1 896 . 4 1 1 A 82 82 LEU HA H 82 4.010 3.955 0.055 1
1 906 . 4 1 1 A 82 82 LEU CA C 82 58.340 58.212 0.128 1
1 907 . 4 1 1 A 82 82 LEU CB C 82 40.862 41.715 -0.853 1
1 911 . 4 1 1 A 82 82 LEU N N 82 114.980 121.380 -6.400 1
1 912 . 4 1 1 A 83 83 ASN H H 83 7.917 8.254 -0.337 1
1 913 . 4 1 1 A 83 83 ASN HA H 83 4.490 4.535 -0.045 1
1 918 . 4 1 1 A 83 83 ASN CA C 83 56.061 56.145 -0.084 1
1 919 . 4 1 1 A 83 83 ASN CB C 83 38.494 38.444 0.050 1
1 920 . 4 1 1 A 83 83 ASN N N 83 116.542 116.974 -0.432 1
1 922 . 4 1 1 A 84 84 ILE H H 84 8.788 8.244 0.544 1
1 923 . 4 1 1 A 84 84 ILE HA H 84 3.734 3.729 0.005 1
1 933 . 4 1 1 A 84 84 ILE CA C 84 65.142 65.311 -0.169 1
1 934 . 4 1 1 A 84 84 ILE CB C 84 38.039 37.687 0.352 1
1 938 . 4 1 1 A 84 84 ILE N N 84 121.747 120.727 1.020 1
1 939 . 4 1 1 A 85 85 LYS H H 85 8.954 8.479 0.475 1
1 940 . 4 1 1 A 85 85 LYS HA H 85 3.839 4.127 -0.288 1
1 949 . 4 1 1 A 85 85 LYS CA C 85 60.936 58.832 2.104 1
1 950 . 4 1 1 A 85 85 LYS CB C 85 32.041 32.232 -0.191 1
1 954 . 4 1 1 A 85 85 LYS N N 85 119.665 120.529 -0.864 1
1 955 . 4 1 1 A 86 86 HIS H H 86 8.043 8.026 0.017 1
1 956 . 4 1 1 A 86 86 HIS HA H 86 4.411 4.253 0.158 1
1 960 . 4 1 1 A 86 86 HIS CA C 86 58.746 59.294 -0.548 1
1 961 . 4 1 1 A 86 86 HIS CB C 86 30.067 29.903 0.164 1
1 963 . 4 1 1 A 86 86 HIS N N 86 116.542 119.226 -2.684 1
1 964 . 4 1 1 A 87 87 LYS H H 87 7.822 8.002 -0.180 1
1 965 . 4 1 1 A 87 87 LYS HA H 87 4.158 4.006 0.152 1
1 968 . 4 1 1 A 87 87 LYS CA C 87 57.879 59.647 -1.768 1
1 969 . 4 1 1 A 87 87 LYS N N 87 119.318 120.111 -0.793 1
1 970 . 4 1 1 A 88 88 LEU H H 88 8.405 8.560 -0.155 1
1 971 . 4 1 1 A 88 88 LEU HA H 88 4.194 4.072 0.122 1
1 981 . 4 1 1 A 88 88 LEU CA C 88 56.289 57.862 -1.573 1
1 982 . 4 1 1 A 88 88 LEU CB C 88 41.692 41.268 0.424 1
1 986 . 4 1 1 A 88 88 LEU N N 88 119.144 119.650 -0.506 1
1 987 . 4 1 1 A 89 89 ARG H H 89 7.826 8.368 -0.542 1
1 988 . 4 1 1 A 89 89 ARG HA H 89 4.271 3.968 0.303 1
1 995 . 4 1 1 A 89 89 ARG CA C 89 56.666 59.595 -2.929 1
1 996 . 4 1 1 A 89 89 ARG CB C 89 29.965 29.874 0.091 1
1 999 . 4 1 1 A 89 89 ARG N N 89 118.450 118.100 0.350 1
1 1000 . 4 1 1 A 90 90 GLN H H 90 7.935 7.788 0.147 1
1 1001 . 4 1 1 A 90 90 GLN HA H 90 4.270 4.245 0.025 1
1 1008 . 4 1 1 A 90 90 GLN CA C 90 55.840 56.384 -0.544 1
1 1009 . 4 1 1 A 90 90 GLN CB C 90 28.989 28.891 0.098 1
1 1011 . 4 1 1 A 90 90 GLN N N 90 119.318 116.752 2.566 1
1 1013 . 4 1 1 A 91 91 GLN H H 91 8.141 7.803 0.338 1
1 1014 . 4 1 1 A 91 91 GLN HA H 91 4.352 4.070 0.282 1
1 1021 . 4 1 1 A 91 91 GLN CA C 91 55.581 58.827 -3.246 1
1 1022 . 4 1 1 A 91 91 GLN CB C 91 29.284 28.584 0.700 1
1 1024 . 4 1 1 A 91 91 GLN N N 91 120.706 120.642 0.064 1
1 1043 . 4 2 2 B 2 2 SER CB C 707 63.646 64.366 -0.720 1
1 1044 . 4 2 2 B 3 3 HIS HA H 708 4.663 4.139 0.524 1
1 1047 . 4 2 2 B 3 3 HIS CA C 708 56.033 56.816 -0.783 1
1 1048 . 4 2 2 B 3 3 HIS CB C 708 30.146 28.427 1.719 1
1 1053 . 4 2 2 B 5 5 SER H H 710 8.437 8.685 -0.248 1
1 1054 . 4 2 2 B 5 5 SER HA H 710 4.429 5.285 -0.856 1
1 1057 . 4 2 2 B 5 5 SER CA C 710 58.340 57.536 0.804 1
1 1058 . 4 2 2 B 5 5 SER CB C 710 63.416 66.402 -2.986 1
1 1059 . 4 2 2 B 5 5 SER N N 710 117.160 115.772 1.388 1
1 1060 . 4 2 2 B 6 6 GLU H H 711 8.458 9.124 -0.666 1
1 1061 . 4 2 2 B 6 6 GLU HA H 711 4.311 4.809 -0.498 1
1 1066 . 4 2 2 B 6 6 GLU CA C 711 56.033 56.090 -0.057 1
1 1067 . 4 2 2 B 6 6 GLU CB C 711 30.223 30.607 -0.384 1
1 1069 . 4 2 2 B 6 6 GLU N N 711 123.053 122.612 0.441 1
1 1070 . 4 2 2 B 7 7 VAL H H 712 8.150 8.190 -0.040 1
1 1071 . 4 2 2 B 7 7 VAL HA H 712 4.050 4.025 0.025 1
1 1079 . 4 2 2 B 7 7 VAL CA C 712 61.801 64.021 -2.220 1
1 1080 . 4 2 2 B 7 7 VAL CB C 712 32.041 31.828 0.213 1
1 1083 . 4 2 2 B 7 7 VAL N N 712 121.173 118.932 2.241 1
1 1084 . 4 2 2 B 8 8 HIS H H 713 8.495 7.591 0.904 1
1 1085 . 4 2 2 B 8 8 HIS HA H 713 4.914 4.799 0.115 1
1 1089 . 4 2 2 B 8 8 HIS CA C 713 53.945 54.326 -0.381 1
1 1090 . 4 2 2 B 8 8 HIS CB C 713 30.218 33.813 -3.595 1
1 1092 . 4 2 2 B 8 8 HIS N N 713 125.310 120.427 4.883 1
1 1093 . 4 2 2 B 9 9 PRO HA H 714 4.430 4.471 -0.041 1
1 1100 . 4 2 2 B 9 9 PRO CA C 714 63.409 62.569 0.840 1
1 1101 . 4 2 2 B 9 9 PRO CB C 714 32.018 32.961 -0.943 1
1 1104 . 4 2 2 B 10 10 SER H H 715 8.889 8.713 0.176 1
1 1105 . 4 2 2 B 10 10 SER HA H 715 4.437 5.063 -0.626 1
1 1108 . 4 2 2 B 10 10 SER CA C 715 58.571 57.039 1.532 1
1 1109 . 4 2 2 B 10 10 SER CB C 715 63.213 65.373 -2.160 1
1 1110 . 4 2 2 B 10 10 SER N N 715 116.533 115.924 0.609 1
1 1111 . 4 2 2 B 11 11 ARG H H 716 8.442 8.893 -0.451 1
1 1112 . 4 2 2 B 11 11 ARG HA H 716 4.388 5.273 -0.885 1
1 1119 . 4 2 2 B 11 11 ARG CA C 716 55.882 54.476 1.406 1
1 1120 . 4 2 2 B 11 11 ARG CB C 716 30.395 34.591 -4.196 1
1 1123 . 4 2 2 B 11 11 ARG N N 716 122.803 121.196 1.607 1
1 1124 . 4 2 2 B 12 12 LEU H H 717 8.133 8.631 -0.498 1
1 1125 . 4 2 2 B 12 12 LEU HA H 717 4.356 5.016 -0.660 1
1 1135 . 4 2 2 B 12 12 LEU CA C 717 54.880 53.486 1.394 1
1 1136 . 4 2 2 B 12 12 LEU CB C 717 42.081 46.048 -3.967 1
1 1140 . 4 2 2 B 12 12 LEU N N 717 122.552 121.647 0.905 1
1 1141 . 4 2 2 B 13 13 GLN H H 718 8.440 8.607 -0.167 1
1 1142 . 4 2 2 B 13 13 GLN HA H 718 4.454 4.359 0.095 1
1 1149 . 4 2 2 B 13 13 GLN CA C 718 55.341 56.592 -1.251 1
1 1150 . 4 2 2 B 13 13 GLN CB C 718 29.285 29.047 0.238 1
1 1152 . 4 2 2 B 13 13 GLN N N 718 121.298 123.566 -2.268 1
1 1154 . 4 2 2 B 14 14 THR H H 719 8.257 8.568 -0.311 1
1 1155 . 4 2 2 B 14 14 THR HA H 719 4.438 4.651 -0.213 1
1 1160 . 4 2 2 B 14 14 THR CA C 719 61.339 61.099 0.240 1
1 1161 . 4 2 2 B 14 14 THR CB C 719 69.456 70.201 -0.745 1
1 1163 . 4 2 2 B 14 14 THR N N 719 115.154 113.139 2.015 1
1 1164 . 4 2 2 B 15 15 THR H H 720 8.240 7.529 0.711 1
1 1165 . 4 2 2 B 15 15 THR HA H 720 4.275 4.133 0.142 1
1 1170 . 4 2 2 B 15 15 THR CA C 720 61.967 64.354 -2.387 1
1 1171 . 4 2 2 B 15 15 THR CB C 720 69.183 69.432 -0.249 1
1 1173 . 4 2 2 B 15 15 THR N N 720 115.029 119.058 -4.029 1
1 1174 . 4 2 2 B 16 16 ASP H H 721 8.293 8.824 -0.531 1
1 1175 . 4 2 2 B 16 16 ASP HA H 721 4.494 4.514 -0.020 1
1 1178 . 4 2 2 B 16 16 ASP CA C 721 54.880 54.275 0.605 1
1 1179 . 4 2 2 B 16 16 ASP CB C 721 40.891 39.432 1.459 1
1 1180 . 4 2 2 B 16 16 ASP N N 721 122.427 124.896 -2.469 1
1 1181 . 4 2 2 B 17 17 ASN H H 722 8.272 8.027 0.245 1
1 1182 . 4 2 2 B 17 17 ASN HA H 722 4.577 4.893 -0.316 1
1 1187 . 4 2 2 B 17 17 ASN CA C 722 53.330 53.117 0.213 1
1 1188 . 4 2 2 B 17 17 ASN CB C 722 38.332 39.555 -1.223 1
1 1189 . 4 2 2 B 17 17 ASN N N 722 118.916 117.454 1.462 1
1 1191 . 4 2 2 B 18 18 LEU H H 723 8.204 7.677 0.527 1
1 1192 . 4 2 2 B 18 18 LEU HA H 723 4.191 4.208 -0.017 1
1 1202 . 4 2 2 B 18 18 LEU CA C 723 54.200 57.185 -2.985 1
1 1203 . 4 2 2 B 18 18 LEU CB C 723 43.545 41.438 2.107 1
1 1207 . 4 2 2 B 18 18 LEU N N 723 121.173 119.026 2.147 1
1 1208 . 4 2 2 B 19 19 LEU H H 724 7.416 7.463 -0.047 1
1 1209 . 4 2 2 B 19 19 LEU HA H 724 4.273 4.324 -0.051 1
1 1219 . 4 2 2 B 19 19 LEU CA C 724 52.415 53.881 -1.466 1
1 1220 . 4 2 2 B 19 19 LEU CB C 724 40.471 42.181 -1.710 1
1 1224 . 4 2 2 B 19 19 LEU N N 724 117.286 121.369 -4.083 1
1 1225 . 4 2 2 B 20 20 PRO HA H 725 4.271 4.517 -0.246 1
1 1232 . 4 2 2 B 20 20 PRO CA C 725 63.877 64.075 -0.198 1
1 1233 . 4 2 2 B 20 20 PRO CB C 725 32.716 31.966 0.750 1
1 1236 . 4 2 2 B 21 21 MET H H 726 8.932 7.564 1.368 1
1 1237 . 4 2 2 B 21 21 MET HA H 726 4.841 4.916 -0.075 1
1 1245 . 4 2 2 B 21 21 MET CA C 726 54.199 54.363 -0.164 1
1 1246 . 4 2 2 B 21 21 MET CB C 726 36.939 35.740 1.199 1
1 1249 . 4 2 2 B 21 21 MET N N 726 116.784 119.024 -2.240 1
1 1250 . 4 2 2 B 22 22 SER H H 727 8.956 9.030 -0.074 1
1 1251 . 4 2 2 B 22 22 SER HA H 727 4.771 4.972 -0.201 1
1 1254 . 4 2 2 B 22 22 SER CA C 727 56.255 56.635 -0.380 1
1 1255 . 4 2 2 B 22 22 SER CB C 727 62.528 63.303 -0.775 1
1 1256 . 4 2 2 B 22 22 SER N N 727 119.167 117.341 1.826 1
1 1257 . 4 2 2 B 23 23 PRO HA H 728 4.312 4.365 -0.053 1
1 1264 . 4 2 2 B 23 23 PRO CA C 728 65.953 65.818 0.135 1
1 1265 . 4 2 2 B 23 23 PRO CB C 728 31.810 31.827 -0.017 1
1 1268 . 4 2 2 B 24 24 GLU H H 729 8.877 8.547 0.330 1
1 1269 . 4 2 2 B 24 24 GLU HA H 729 4.163 4.105 0.058 1
1 1274 . 4 2 2 B 24 24 GLU CA C 729 59.748 59.678 0.070 1
1 1275 . 4 2 2 B 24 24 GLU CB C 729 28.819 29.116 -0.297 1
1 1277 . 4 2 2 B 24 24 GLU N N 729 116.283 118.012 -1.729 1
1 1278 . 4 2 2 B 25 25 GLU H H 730 7.789 7.707 0.082 1
1 1279 . 4 2 2 B 25 25 GLU HA H 730 3.787 4.028 -0.241 1
1 1284 . 4 2 2 B 25 25 GLU CA C 730 59.266 59.200 0.066 1
1 1285 . 4 2 2 B 25 25 GLU CB C 730 29.501 29.482 0.019 1
1 1287 . 4 2 2 B 25 25 GLU N N 730 121.298 120.700 0.598 1
1 1288 . 4 2 2 B 26 26 PHE H H 731 8.730 8.662 0.068 1
1 1289 . 4 2 2 B 26 26 PHE HA H 731 4.364 4.187 0.177 1
1 1296 . 4 2 2 B 26 26 PHE CA C 731 59.724 61.364 -1.640 1
1 1297 . 4 2 2 B 26 26 PHE CB C 731 38.230 39.242 -1.012 1
1 1300 . 4 2 2 B 26 26 PHE N N 731 119.543 121.232 -1.689 1
1 1301 . 4 2 2 B 27 27 ASP H H 732 8.587 8.542 0.045 1
1 1302 . 4 2 2 B 27 27 ASP HA H 732 4.097 4.249 -0.152 1
1 1305 . 4 2 2 B 27 27 ASP CA C 732 57.256 57.836 -0.580 1
1 1306 . 4 2 2 B 27 27 ASP CB C 732 40.421 41.516 -1.095 1
1 1307 . 4 2 2 B 27 27 ASP N N 732 121.549 118.605 2.944 1
1 1308 . 4 2 2 B 28 28 GLU H H 733 7.383 8.007 -0.624 1
1 1309 . 4 2 2 B 28 28 GLU HA H 733 4.155 4.084 0.071 1
1 1314 . 4 2 2 B 28 28 GLU CA C 733 58.749 59.035 -0.286 1
1 1315 . 4 2 2 B 28 28 GLU CB C 733 28.933 29.423 -0.490 1
1 1317 . 4 2 2 B 28 28 GLU N N 733 119.793 119.466 0.327 1
1 1318 . 4 2 2 B 29 29 VAL H H 734 8.246 7.988 0.258 1
1 1319 . 4 2 2 B 29 29 VAL HA H 734 3.595 3.460 0.135 1
1 1327 . 4 2 2 B 29 29 VAL CA C 734 66.219 66.050 0.169 1
1 1328 . 4 2 2 B 29 29 VAL CB C 734 31.362 31.718 -0.356 1
1 1331 . 4 2 2 B 29 29 VAL N N 734 118.540 120.731 -2.191 1
1 1332 . 4 2 2 B 30 30 SER H H 735 8.384 8.358 0.026 1
1 1333 . 4 2 2 B 30 30 SER HA H 735 3.912 3.808 0.104 1
1 1336 . 4 2 2 B 30 30 SER CA C 735 61.703 62.278 -0.575 1
1 1337 . 4 2 2 B 30 30 SER CB C 735 62.059 62.519 -0.460 1
1 1338 . 4 2 2 B 30 30 SER N N 735 115.154 114.195 0.959 1
1 1339 . 4 2 2 B 31 31 ARG H H 736 7.683 7.933 -0.250 1
1 1340 . 4 2 2 B 31 31 ARG HA H 736 4.027 4.035 -0.008 1
1 1348 . 4 2 2 B 31 31 ARG CA C 736 58.571 58.904 -0.333 1
1 1349 . 4 2 2 B 31 31 ARG CB C 736 30.068 29.713 0.355 1
1 1352 . 4 2 2 B 31 31 ARG N N 736 121.549 121.700 -0.151 1
1 1354 . 4 2 2 B 32 32 ILE H H 737 7.703 7.152 0.551 1
1 1355 . 4 2 2 B 32 32 ILE HA H 737 3.859 3.887 -0.028 1
1 1365 . 4 2 2 B 32 32 ILE CA C 737 63.445 64.219 -0.774 1
1 1366 . 4 2 2 B 32 32 ILE CB C 737 38.332 38.159 0.173 1
1 1370 . 4 2 2 B 32 32 ILE N N 737 119.167 120.261 -1.094 1
1 1371 . 4 2 2 B 33 33 VAL H H 738 8.293 7.896 0.397 1
1 1372 . 4 2 2 B 33 33 VAL HA H 738 3.901 3.828 0.073 1
1 1380 . 4 2 2 B 33 33 VAL CA C 738 63.805 65.371 -1.566 1
1 1381 . 4 2 2 B 33 33 VAL CB C 738 32.408 31.711 0.697 1
1 1384 . 4 2 2 B 33 33 VAL N N 738 116.157 119.525 -3.368 1
1 1385 . 4 2 2 B 34 34 GLY H H 739 7.868 7.794 0.074 1
1 1386 . 4 2 2 B 34 34 GLY HA2 H 739 3.813 3.816 -0.003 1
1 1387 . 4 2 2 B 34 34 GLY HA3 H 739 4.120 3.845 0.275 1
1 1388 . 4 2 2 B 34 34 GLY CA C 739 44.831 46.683 -1.852 1
1 1389 . 4 2 2 B 34 34 GLY N N 739 108.258 110.512 -2.254 1
1 1390 . 4 2 2 B 35 35 SER H H 740 8.366 8.149 0.217 1
1 1391 . 4 2 2 B 35 35 SER HA H 740 4.389 3.899 0.490 1
1 1394 . 4 2 2 B 35 35 SER CA C 740 58.261 59.100 -0.839 1
1 1395 . 4 2 2 B 35 35 SER CB C 740 62.663 61.646 1.017 1
1 1396 . 4 2 2 B 35 35 SER N N 740 116.408 108.525 7.883 1
1 1397 . 4 2 2 B 36 36 VAL H H 741 7.897 7.693 0.204 1
1 1398 . 4 2 2 B 36 36 VAL HA H 741 4.054 3.839 0.215 1
1 1406 . 4 2 2 B 36 36 VAL CA C 741 61.737 65.874 -4.137 1
1 1407 . 4 2 2 B 36 36 VAL CB C 741 33.084 31.480 1.604 1
1 1410 . 4 2 2 B 36 36 VAL N N 741 122.928 120.284 2.644 1
1 1411 . 4 2 2 B 37 37 GLU H H 742 8.468 8.118 0.350 1
1 1412 . 4 2 2 B 37 37 GLU HA H 742 4.306 4.708 -0.402 1
1 1417 . 4 2 2 B 37 37 GLU CA C 742 55.803 55.860 -0.057 1
1 1418 . 4 2 2 B 37 37 GLU CB C 742 29.029 30.897 -1.868 1
1 1420 . 4 2 2 B 37 37 GLU N N 742 124.057 119.593 4.464 1
1 1421 . 4 2 2 B 38 38 PHE H H 743 8.222 7.774 0.448 1
1 1422 . 4 2 2 B 38 38 PHE HA H 743 4.360 4.096 0.264 1
1 1429 . 4 2 2 B 38 38 PHE CA C 743 59.263 61.898 -2.635 1
1 1430 . 4 2 2 B 38 38 PHE CB C 743 39.524 39.382 0.142 1
1 1433 . 4 2 2 B 38 38 PHE N N 743 122.427 121.708 0.719 1
1 1434 . 4 2 2 B 39 39 ASP H H 744 8.602 8.881 -0.279 1
1 1435 . 4 2 2 B 39 39 ASP HA H 744 4.380 4.374 0.006 1
1 1438 . 4 2 2 B 39 39 ASP CA C 744 56.495 55.097 1.398 1
1 1439 . 4 2 2 B 39 39 ASP CB C 744 40.119 39.489 0.630 1
1 1440 . 4 2 2 B 39 39 ASP N N 744 120.044 117.490 2.554 1
1 1441 . 4 2 2 B 40 40 SER H H 745 8.143 7.715 0.428 1
1 1442 . 4 2 2 B 40 40 SER HA H 745 4.328 4.764 -0.436 1
1 1445 . 4 2 2 B 40 40 SER CA C 745 59.724 57.767 1.957 1
1 1446 . 4 2 2 B 40 40 SER CB C 745 62.723 64.474 -1.751 1
1 1447 . 4 2 2 B 40 40 SER N N 745 114.527 114.334 0.193 1
1 1448 . 4 2 2 B 41 41 MET H H 746 7.930 7.548 0.382 1
1 1449 . 4 2 2 B 41 41 MET HA H 746 4.374 4.270 0.104 1
1 1457 . 4 2 2 B 41 41 MET CA C 746 56.244 57.825 -1.581 1
1 1458 . 4 2 2 B 41 41 MET CB C 746 32.502 31.666 0.836 1
1 1461 . 4 2 2 B 41 41 MET N N 746 120.044 120.806 -0.762 1
1 1462 . 4 2 2 B 42 42 MET H H 747 7.784 7.994 -0.210 1
1 1463 . 4 2 2 B 42 42 MET HA H 747 4.232 4.462 -0.230 1
1 1471 . 4 2 2 B 42 42 MET CA C 747 55.830 56.470 -0.640 1
1 1472 . 4 2 2 B 42 42 MET CB C 747 32.502 33.117 -0.615 1
1 1475 . 4 2 2 B 42 42 MET N N 747 117.035 115.798 1.237 1
1 1476 . 4 2 2 B 43 43 ASN H H 748 7.960 8.132 -0.172 1
1 1477 . 4 2 2 B 43 43 ASN HA H 748 4.831 4.514 0.317 1
1 1482 . 4 2 2 B 43 43 ASN CA C 748 53.146 55.194 -2.048 1
1 1483 . 4 2 2 B 43 43 ASN CB C 748 38.795 39.124 -0.329 1
1 1484 . 4 2 2 B 43 43 ASN N N 748 117.537 119.923 -2.386 1
1 1486 . 4 2 2 B 44 44 THR H H 749 8.039 8.056 -0.017 1
1 1487 . 4 2 2 B 44 44 THR HA H 749 4.432 4.069 0.363 1
1 1492 . 4 2 2 B 44 44 THR CA C 749 61.570 65.424 -3.854 1
1 1493 . 4 2 2 B 44 44 THR CB C 749 69.644 68.584 1.060 1
1 1495 . 4 2 2 B 44 44 THR N N 749 114.026 112.625 1.401 1
1 6 . 5 1 1 A 2 2 PRO HA H 2 4.396 4.357 0.039 1
1 13 . 5 1 1 A 2 2 PRO CA C 2 65.107 66.051 -0.944 1
1 14 . 5 1 1 A 2 2 PRO CB C 2 31.810 31.311 0.499 1
1 17 . 5 1 1 A 3 3 GLN H H 3 8.509 8.361 0.148 1
1 18 . 5 1 1 A 3 3 GLN HA H 3 3.962 4.045 -0.083 1
1 25 . 5 1 1 A 3 3 GLN CA C 3 59.223 58.928 0.295 1
1 26 . 5 1 1 A 3 3 GLN CB C 3 28.119 27.808 0.311 1
1 28 . 5 1 1 A 3 3 GLN N N 3 117.064 117.803 -0.739 1
1 30 . 5 1 1 A 4 4 GLU H H 4 7.950 8.475 -0.525 1
1 31 . 5 1 1 A 4 4 GLU HA H 4 4.105 4.045 0.060 1
1 36 . 5 1 1 A 4 4 GLU CA C 4 58.778 59.586 -0.808 1
1 37 . 5 1 1 A 4 4 GLU CB C 4 29.734 29.166 0.568 1
1 39 . 5 1 1 A 4 4 GLU N N 4 121.574 121.432 0.142 1
1 40 . 5 1 1 A 5 5 SER H H 5 8.511 8.002 0.509 1
1 41 . 5 1 1 A 5 5 SER HA H 5 4.238 4.192 0.046 1
1 44 . 5 1 1 A 5 5 SER CA C 5 61.377 61.033 0.344 1
1 45 . 5 1 1 A 5 5 SER CB C 5 62.351 62.549 -0.198 1
1 46 . 5 1 1 A 5 5 SER N N 5 115.674 114.410 1.264 1
1 47 . 5 1 1 A 6 6 ARG H H 6 8.276 7.665 0.611 1
1 48 . 5 1 1 A 6 6 ARG HA H 6 4.324 4.176 0.148 1
1 55 . 5 1 1 A 6 6 ARG CA C 6 58.988 59.361 -0.373 1
1 56 . 5 1 1 A 6 6 ARG CB C 6 30.426 30.296 0.130 1
1 59 . 5 1 1 A 6 6 ARG N N 6 122.441 121.809 0.632 1
1 60 . 5 1 1 A 7 7 ARG H H 7 8.015 7.937 0.078 1
1 61 . 5 1 1 A 7 7 ARG HA H 7 3.955 4.171 -0.216 1
1 68 . 5 1 1 A 7 7 ARG CA C 7 59.724 58.914 0.810 1
1 69 . 5 1 1 A 7 7 ARG CB C 7 29.965 30.048 -0.083 1
1 72 . 5 1 1 A 7 7 ARG N N 7 119.491 119.563 -0.072 1
1 73 . 5 1 1 A 8 8 LEU H H 8 8.158 8.413 -0.255 1
1 74 . 5 1 1 A 8 8 LEU HA H 8 4.161 4.034 0.127 1
1 84 . 5 1 1 A 8 8 LEU CA C 8 57.686 57.828 -0.142 1
1 85 . 5 1 1 A 8 8 LEU CB C 8 41.312 41.891 -0.579 1
1 89 . 5 1 1 A 8 8 LEU N N 8 120.359 120.162 0.197 1
1 90 . 5 1 1 A 9 9 SER H H 9 8.090 7.656 0.434 1
1 91 . 5 1 1 A 9 9 SER HA H 9 4.292 4.059 0.233 1
1 94 . 5 1 1 A 9 9 SER CA C 9 61.570 62.574 -1.004 1
1 95 . 5 1 1 A 9 9 SER CB C 9 62.493 62.862 -0.369 1
1 96 . 5 1 1 A 9 9 SER N N 9 116.178 113.761 2.417 1
1 97 . 5 1 1 A 10 10 ILE H H 10 8.396 7.979 0.417 1
1 98 . 5 1 1 A 10 10 ILE HA H 10 3.505 3.477 0.028 1
1 108 . 5 1 1 A 10 10 ILE CA C 10 65.608 65.215 0.393 1
1 109 . 5 1 1 A 10 10 ILE CB C 10 37.706 37.453 0.253 1
1 113 . 5 1 1 A 10 10 ILE N N 10 122.840 121.353 1.487 1
1 114 . 5 1 1 A 11 11 GLN H H 11 8.142 8.088 0.054 1
1 115 . 5 1 1 A 11 11 GLN HA H 11 4.032 4.019 0.013 1
1 122 . 5 1 1 A 11 11 GLN CA C 11 59.060 59.281 -0.221 1
1 123 . 5 1 1 A 11 11 GLN CB C 11 27.888 28.376 -0.488 1
1 125 . 5 1 1 A 11 11 GLN N N 11 119.144 118.607 0.537 1
1 127 . 5 1 1 A 12 12 ARG H H 12 8.330 7.645 0.685 1
1 128 . 5 1 1 A 12 12 ARG HA H 12 4.179 4.043 0.136 1
1 135 . 5 1 1 A 12 12 ARG CA C 12 59.494 59.418 0.076 1
1 136 . 5 1 1 A 12 12 ARG CB C 12 29.734 30.037 -0.303 1
1 138 . 5 1 1 A 12 12 ARG N N 12 120.186 119.087 1.099 1
1 139 . 5 1 1 A 13 13 CYS H H 13 8.242 7.937 0.305 1
1 140 . 5 1 1 A 13 13 CYS HA H 13 4.231 4.107 0.124 1
1 143 . 5 1 1 A 13 13 CYS CA C 13 63.289 63.824 -0.535 1
1 144 . 5 1 1 A 13 13 CYS CB C 13 26.505 27.154 -0.649 1
1 145 . 5 1 1 A 13 13 CYS N N 13 121.574 120.188 1.386 1
1 146 . 5 1 1 A 14 14 ILE H H 14 8.493 8.527 -0.034 1
1 147 . 5 1 1 A 14 14 ILE HA H 14 3.787 3.540 0.247 1
1 157 . 5 1 1 A 14 14 ILE CA C 14 64.269 65.421 -1.152 1
1 158 . 5 1 1 A 14 14 ILE CB C 14 36.597 37.776 -1.179 1
1 162 . 5 1 1 A 14 14 ILE N N 14 120.012 119.528 0.484 1
1 163 . 5 1 1 A 15 15 GLN H H 15 8.468 8.252 0.216 1
1 164 . 5 1 1 A 15 15 GLN HA H 15 4.107 3.995 0.112 1
1 171 . 5 1 1 A 15 15 GLN CA C 15 58.969 59.080 -0.111 1
1 172 . 5 1 1 A 15 15 GLN CB C 15 27.843 28.409 -0.566 1
1 174 . 5 1 1 A 15 15 GLN N N 15 119.665 118.845 0.820 1
1 176 . 5 1 1 A 16 16 SER H H 16 8.409 8.031 0.378 1
1 177 . 5 1 1 A 16 16 SER HA H 16 4.424 4.080 0.344 1
1 180 . 5 1 1 A 16 16 SER CA C 16 61.726 62.546 -0.820 1
1 181 . 5 1 1 A 16 16 SER CB C 16 62.564 62.957 -0.393 1
1 182 . 5 1 1 A 16 16 SER N N 16 117.062 116.218 0.844 1
1 183 . 5 1 1 A 17 17 LEU H H 17 8.235 8.101 0.134 1
1 184 . 5 1 1 A 17 17 LEU HA H 17 4.103 4.065 0.038 1
1 194 . 5 1 1 A 17 17 LEU CA C 17 58.340 57.846 0.494 1
1 195 . 5 1 1 A 17 17 LEU CB C 17 41.961 41.602 0.359 1
1 199 . 5 1 1 A 17 17 LEU N N 17 125.564 122.980 2.584 1
1 200 . 5 1 1 A 18 18 VAL H H 18 8.603 8.292 0.311 1
1 201 . 5 1 1 A 18 18 VAL HA H 18 3.261 3.545 -0.284 1
1 209 . 5 1 1 A 18 18 VAL CA C 18 67.097 66.511 0.586 1
1 210 . 5 1 1 A 18 18 VAL CB C 18 31.589 31.502 0.087 1
1 213 . 5 1 1 A 18 18 VAL N N 18 119.665 118.834 0.831 1
1 214 . 5 1 1 A 19 19 HIS H H 19 8.083 8.289 -0.206 1
1 215 . 5 1 1 A 19 19 HIS HA H 19 4.231 4.175 0.056 1
1 219 . 5 1 1 A 19 19 HIS CA C 19 59.641 60.173 -0.532 1
1 220 . 5 1 1 A 19 19 HIS CB C 19 26.966 29.671 -2.705 1
1 222 . 5 1 1 A 19 19 HIS N N 19 116.094 119.322 -3.228 1
1 223 . 5 1 1 A 20 20 ALA H H 20 8.796 8.383 0.413 1
1 224 . 5 1 1 A 20 20 ALA HA H 20 4.308 4.040 0.268 1
1 228 . 5 1 1 A 20 20 ALA CA C 20 55.341 55.170 0.171 1
1 229 . 5 1 1 A 20 20 ALA CB C 20 20.026 18.312 1.714 1
1 230 . 5 1 1 A 20 20 ALA N N 20 121.747 120.415 1.332 1
1 231 . 5 1 1 A 21 21 CYS H H 21 7.909 7.951 -0.042 1
1 232 . 5 1 1 A 21 21 CYS HA H 21 4.294 4.231 0.063 1
1 235 . 5 1 1 A 21 21 CYS CA C 21 61.665 61.191 0.474 1
1 236 . 5 1 1 A 21 21 CYS CB C 21 26.764 27.059 -0.295 1
1 237 . 5 1 1 A 21 21 CYS N N 21 111.875 115.757 -3.882 1
1 238 . 5 1 1 A 22 22 GLN H H 22 7.357 7.746 -0.389 1
1 239 . 5 1 1 A 22 22 GLN HA H 22 4.531 4.344 0.187 1
1 246 . 5 1 1 A 22 22 GLN CA C 22 54.445 56.101 -1.656 1
1 247 . 5 1 1 A 22 22 GLN CB C 22 30.608 31.242 -0.634 1
1 249 . 5 1 1 A 22 22 GLN N N 22 116.021 117.221 -1.200 1
1 251 . 5 1 1 A 23 23 CYS H H 23 7.229 7.720 -0.491 1
1 252 . 5 1 1 A 23 23 CYS HA H 23 3.947 4.274 -0.327 1
1 255 . 5 1 1 A 23 23 CYS CA C 23 59.996 59.602 0.394 1
1 256 . 5 1 1 A 23 23 CYS CB C 23 29.000 28.084 0.916 1
1 257 . 5 1 1 A 23 23 CYS N N 23 124.350 118.502 5.848 1
1 258 . 5 1 1 A 24 24 ARG H H 24 8.966 8.756 0.210 1
1 259 . 5 1 1 A 24 24 ARG HA H 24 4.590 4.618 -0.028 1
1 266 . 5 1 1 A 24 24 ARG CA C 24 54.306 55.945 -1.639 1
1 267 . 5 1 1 A 24 24 ARG CB C 24 29.771 31.930 -2.159 1
1 270 . 5 1 1 A 24 24 ARG N N 24 129.729 123.709 6.020 1
1 271 . 5 1 1 A 25 25 ASN H H 25 7.823 6.973 0.850 1
1 272 . 5 1 1 A 25 25 ASN HA H 25 4.853 4.657 0.196 1
1 277 . 5 1 1 A 25 25 ASN CA C 25 51.372 53.555 -2.183 1
1 278 . 5 1 1 A 25 25 ASN CB C 25 38.727 38.989 -0.262 1
1 279 . 5 1 1 A 25 25 ASN N N 25 120.186 118.703 1.483 1
1 281 . 5 1 1 A 26 26 ALA H H 26 9.248 8.818 0.430 1
1 282 . 5 1 1 A 26 26 ALA HA H 26 4.091 4.058 0.033 1
1 286 . 5 1 1 A 26 26 ALA CA C 26 54.027 54.730 -0.703 1
1 287 . 5 1 1 A 26 26 ALA CB C 26 18.209 18.556 -0.347 1
1 288 . 5 1 1 A 26 26 ALA N N 26 130.423 126.054 4.369 1
1 289 . 5 1 1 A 27 27 ASN H H 27 8.085 8.030 0.055 1
1 290 . 5 1 1 A 27 27 ASN HA H 27 4.834 4.995 -0.161 1
1 295 . 5 1 1 A 27 27 ASN CA C 27 51.625 52.121 -0.496 1
1 296 . 5 1 1 A 27 27 ASN CB C 27 38.577 39.376 -0.799 1
1 297 . 5 1 1 A 27 27 ASN N N 27 113.766 115.422 -1.656 1
1 299 . 5 1 1 A 28 28 CYS H H 28 7.209 7.844 -0.635 1
1 300 . 5 1 1 A 28 28 CYS HA H 28 4.053 4.399 -0.346 1
1 303 . 5 1 1 A 28 28 CYS CA C 28 61.312 59.704 1.608 1
1 304 . 5 1 1 A 28 28 CYS CB C 28 29.674 29.167 0.507 1
1 305 . 5 1 1 A 28 28 CYS N N 28 123.309 121.222 2.087 1
1 306 . 5 1 1 A 29 29 SER H H 29 8.922 8.575 0.347 1
1 307 . 5 1 1 A 29 29 SER HA H 29 4.609 4.206 0.403 1
1 310 . 5 1 1 A 29 29 SER CA C 29 57.450 60.828 -3.378 1
1 311 . 5 1 1 A 29 29 SER CB C 29 63.604 63.028 0.576 1
1 312 . 5 1 1 A 29 29 SER N N 29 124.870 119.048 5.822 1
1 313 . 5 1 1 A 30 30 LEU H H 30 8.513 7.589 0.924 1
1 314 . 5 1 1 A 30 30 LEU HA H 30 4.497 4.392 0.105 1
1 324 . 5 1 1 A 30 30 LEU CA C 30 53.980 52.787 1.193 1
1 325 . 5 1 1 A 30 30 LEU CB C 30 40.643 41.590 -0.947 1
1 329 . 5 1 1 A 30 30 LEU N N 30 128.341 124.898 3.443 1
1 330 . 5 1 1 A 31 31 PRO HA H 31 4.329 4.267 0.062 1
1 337 . 5 1 1 A 31 31 PRO CA C 31 65.026 64.927 0.099 1
1 338 . 5 1 1 A 31 31 PRO CB C 31 31.580 31.940 -0.360 1
1 341 . 5 1 1 A 32 32 SER H H 32 8.537 8.076 0.461 1
1 342 . 5 1 1 A 32 32 SER HA H 32 4.287 4.197 0.090 1
1 345 . 5 1 1 A 32 32 SER CA C 32 60.277 61.530 -1.253 1
1 346 . 5 1 1 A 32 32 SER CB C 32 62.277 62.774 -0.497 1
1 347 . 5 1 1 A 32 32 SER N N 32 112.551 113.734 -1.183 1
1 348 . 5 1 1 A 33 33 CYS H H 33 7.523 8.086 -0.563 1
1 349 . 5 1 1 A 33 33 CYS HA H 33 4.170 3.920 0.250 1
1 352 . 5 1 1 A 33 33 CYS CA C 33 63.408 62.801 0.607 1
1 353 . 5 1 1 A 33 33 CYS CB C 33 29.503 26.495 3.008 1
1 354 . 5 1 1 A 33 33 CYS N N 33 126.085 121.028 5.057 1
1 355 . 5 1 1 A 34 34 GLN H H 34 8.102 7.843 0.259 1
1 356 . 5 1 1 A 34 34 GLN HA H 34 3.963 3.994 -0.031 1
1 359 . 5 1 1 A 34 34 GLN N N 34 115.711 119.283 -3.572 1
1 361 . 5 1 1 A 35 35 LYS H H 35 8.093 7.652 0.441 1
1 362 . 5 1 1 A 35 35 LYS HA H 35 3.994 4.146 -0.152 1
1 371 . 5 1 1 A 35 35 LYS CA C 35 59.502 59.141 0.361 1
1 372 . 5 1 1 A 35 35 LYS CB C 35 32.273 32.257 0.016 1
1 376 . 5 1 1 A 35 35 LYS N N 35 117.930 120.375 -2.445 1
1 377 . 5 1 1 A 36 36 MET H H 36 8.237 8.651 -0.414 1
1 378 . 5 1 1 A 36 36 MET HA H 36 4.488 4.081 0.407 1
1 386 . 5 1 1 A 36 36 MET CA C 36 56.725 59.344 -2.619 1
1 387 . 5 1 1 A 36 36 MET CB C 36 30.954 32.635 -1.681 1
1 390 . 5 1 1 A 36 36 MET N N 36 117.062 118.545 -1.483 1
1 391 . 5 1 1 A 37 37 LYS H H 37 9.107 8.061 1.046 1
1 392 . 5 1 1 A 37 37 LYS HA H 37 3.900 4.005 -0.105 1
1 401 . 5 1 1 A 37 37 LYS CA C 37 61.097 59.984 1.113 1
1 402 . 5 1 1 A 37 37 LYS CB C 37 32.947 32.314 0.633 1
1 406 . 5 1 1 A 37 37 LYS N N 37 120.186 119.140 1.046 1
1 407 . 5 1 1 A 38 38 ARG H H 38 7.781 7.974 -0.193 1
1 408 . 5 1 1 A 38 38 ARG HA H 38 4.127 4.113 0.014 1
1 413 . 5 1 1 A 38 38 ARG CA C 38 59.263 59.261 0.002 1
1 414 . 5 1 1 A 38 38 ARG CB C 38 29.965 30.014 -0.049 1
1 416 . 5 1 1 A 38 38 ARG N N 38 118.971 119.697 -0.726 1
1 417 . 5 1 1 A 39 39 VAL H H 39 8.289 8.037 0.252 1
1 418 . 5 1 1 A 39 39 VAL HA H 39 3.539 3.694 -0.155 1
1 426 . 5 1 1 A 39 39 VAL CA C 39 66.989 66.497 0.492 1
1 427 . 5 1 1 A 39 39 VAL CB C 39 31.451 31.659 -0.208 1
1 430 . 5 1 1 A 39 39 VAL N N 39 123.829 119.764 4.065 1
1 431 . 5 1 1 A 40 40 VAL H H 40 8.318 8.360 -0.042 1
1 432 . 5 1 1 A 40 40 VAL HA H 40 3.528 3.797 -0.269 1
1 440 . 5 1 1 A 40 40 VAL CA C 40 67.050 65.276 1.774 1
1 441 . 5 1 1 A 40 40 VAL CB C 40 31.608 31.212 0.396 1
1 444 . 5 1 1 A 40 40 VAL N N 40 119.665 120.329 -0.664 1
1 445 . 5 1 1 A 41 41 GLN H H 41 8.263 8.095 0.168 1
1 446 . 5 1 1 A 41 41 GLN HA H 41 3.974 3.929 0.045 1
1 453 . 5 1 1 A 41 41 GLN CA C 41 58.571 59.178 -0.607 1
1 454 . 5 1 1 A 41 41 GLN CB C 41 28.018 28.346 -0.328 1
1 456 . 5 1 1 A 41 41 GLN N N 41 118.450 122.090 -3.640 1
1 458 . 5 1 1 A 42 42 HIS H H 42 8.309 7.982 0.327 1
1 459 . 5 1 1 A 42 42 HIS HA H 42 4.215 4.315 -0.100 1
1 463 . 5 1 1 A 42 42 HIS CA C 42 59.402 59.442 -0.040 1
1 464 . 5 1 1 A 42 42 HIS CB C 42 26.966 30.480 -3.514 1
1 466 . 5 1 1 A 42 42 HIS N N 42 118.971 120.044 -1.073 1
1 467 . 5 1 1 A 43 43 THR H H 43 8.056 8.135 -0.079 1
1 468 . 5 1 1 A 43 43 THR HA H 43 3.929 3.761 0.168 1
1 474 . 5 1 1 A 43 43 THR CA C 43 66.101 67.277 -1.176 1
1 475 . 5 1 1 A 43 43 THR CB C 43 69.107 68.301 0.806 1
1 477 . 5 1 1 A 43 43 THR N N 43 114.320 113.527 0.793 1
1 478 . 5 1 1 A 44 44 LYS H H 44 7.531 8.052 -0.521 1
1 479 . 5 1 1 A 44 44 LYS HA H 44 4.085 4.084 0.001 1
1 488 . 5 1 1 A 44 44 LYS CA C 44 58.682 59.293 -0.611 1
1 489 . 5 1 1 A 44 44 LYS CB C 44 32.024 32.483 -0.459 1
1 493 . 5 1 1 A 44 44 LYS N N 44 120.012 119.954 0.058 1
1 494 . 5 1 1 A 45 45 GLY H H 45 7.143 7.734 -0.591 1
1 495 . 5 1 1 A 45 45 GLY HA2 H 45 3.625 3.973 -0.348 1
1 496 . 5 1 1 A 45 45 GLY HA3 H 45 4.387 3.995 0.392 1
1 497 . 5 1 1 A 45 45 GLY CA C 45 44.289 45.236 -0.947 1
1 498 . 5 1 1 A 45 45 GLY N N 45 103.528 107.126 -3.598 1
1 499 . 5 1 1 A 46 46 CYS H H 46 6.988 7.294 -0.306 1
1 500 . 5 1 1 A 46 46 CYS HA H 46 3.955 4.413 -0.458 1
1 503 . 5 1 1 A 46 46 CYS CA C 46 60.654 59.086 1.568 1
1 504 . 5 1 1 A 46 46 CYS CB C 46 29.793 28.241 1.552 1
1 505 . 5 1 1 A 46 46 CYS N N 46 123.656 120.356 3.300 1
1 506 . 5 1 1 A 47 47 LYS H H 47 9.060 8.814 0.246 1
1 507 . 5 1 1 A 47 47 LYS HA H 47 4.489 4.560 -0.071 1
1 516 . 5 1 1 A 47 47 LYS CA C 47 56.127 55.984 0.143 1
1 517 . 5 1 1 A 47 47 LYS CB C 47 32.393 33.177 -0.784 1
1 521 . 5 1 1 A 47 47 LYS N N 47 127.820 124.369 3.451 1
1 522 . 5 1 1 A 48 48 ARG H H 48 8.537 7.697 0.840 1
1 523 . 5 1 1 A 48 48 ARG HA H 48 4.330 4.311 0.019 1
1 530 . 5 1 1 A 48 48 ARG CA C 48 57.648 58.189 -0.541 1
1 531 . 5 1 1 A 48 48 ARG CB C 48 31.810 30.826 0.984 1
1 534 . 5 1 1 A 48 48 ARG N N 48 122.615 117.343 5.272 1
1 535 . 5 1 1 A 49 49 LYS H H 49 8.522 7.819 0.703 1
1 536 . 5 1 1 A 49 49 LYS HA H 49 4.554 4.240 0.314 1
1 545 . 5 1 1 A 49 49 LYS CA C 49 57.417 56.829 0.588 1
1 546 . 5 1 1 A 49 49 LYS CB C 49 31.543 31.891 -0.348 1
1 550 . 5 1 1 A 49 49 LYS N N 49 117.583 119.299 -1.716 1
1 551 . 5 1 1 A 50 50 THR H H 50 7.992 8.867 -0.875 1
1 552 . 5 1 1 A 50 50 THR HA H 50 4.127 3.922 0.205 1
1 557 . 5 1 1 A 50 50 THR CA C 50 63.985 65.896 -1.911 1
1 558 . 5 1 1 A 50 50 THR CB C 50 68.157 68.192 -0.035 1
1 560 . 5 1 1 A 50 50 THR N N 50 113.245 113.230 0.015 1
1 561 . 5 1 1 A 51 51 ASN H H 51 8.888 8.287 0.601 1
1 562 . 5 1 1 A 51 51 ASN HA H 51 4.665 4.446 0.219 1
1 567 . 5 1 1 A 51 51 ASN CA C 51 54.159 55.953 -1.794 1
1 568 . 5 1 1 A 51 51 ASN CB C 51 37.857 38.556 -0.699 1
1 570 . 5 1 1 A 52 52 GLY H H 52 7.972 7.729 0.243 1
1 571 . 5 1 1 A 52 52 GLY HA2 H 52 3.893 4.057 -0.164 1
1 572 . 5 1 1 A 52 52 GLY HA3 H 52 4.101 4.059 0.042 1
1 573 . 5 1 1 A 52 52 GLY CA C 52 45.368 45.538 -0.170 1
1 574 . 5 1 1 A 52 52 GLY N N 52 106.651 105.926 0.725 1
1 575 . 5 1 1 A 53 53 GLY H H 53 7.765 8.075 -0.310 1
1 576 . 5 1 1 A 53 53 GLY HA2 H 53 3.837 4.065 -0.228 1
1 577 . 5 1 1 A 53 53 GLY HA3 H 53 4.079 4.067 0.012 1
1 578 . 5 1 1 A 53 53 GLY CA C 53 45.227 44.897 0.330 1
1 579 . 5 1 1 A 53 53 GLY N N 53 107.519 106.610 0.909 1
1 580 . 5 1 1 A 54 54 CYS H H 54 8.099 7.728 0.371 1
1 581 . 5 1 1 A 54 54 CYS HA H 54 4.720 4.518 0.202 1
1 584 . 5 1 1 A 54 54 CYS CA C 54 55.572 57.480 -1.908 1
1 585 . 5 1 1 A 54 54 CYS CB C 54 30.216 28.781 1.435 1
1 586 . 5 1 1 A 54 54 CYS N N 54 122.615 119.719 2.896 1
1 587 . 5 1 1 A 55 55 PRO HA H 55 4.237 4.456 -0.219 1
1 594 . 5 1 1 A 55 55 PRO CA C 55 64.757 64.144 0.613 1
1 595 . 5 1 1 A 55 55 PRO CB C 55 32.311 32.016 0.295 1
1 598 . 5 1 1 A 56 56 VAL H H 56 7.645 7.159 0.486 1
1 599 . 5 1 1 A 56 56 VAL HA H 56 3.384 3.694 -0.310 1
1 607 . 5 1 1 A 56 56 VAL CA C 56 66.184 65.774 0.410 1
1 608 . 5 1 1 A 56 56 VAL CB C 56 32.502 31.504 0.998 1
1 611 . 5 1 1 A 56 56 VAL N N 56 121.227 116.609 4.618 1
1 612 . 5 1 1 A 57 57 CYS H H 57 8.565 7.810 0.755 1
1 613 . 5 1 1 A 57 57 CYS HA H 57 4.034 4.041 -0.007 1
1 616 . 5 1 1 A 57 57 CYS CA C 57 65.746 63.794 1.952 1
1 617 . 5 1 1 A 57 57 CYS CB C 57 29.273 27.147 2.126 1
1 618 . 5 1 1 A 57 57 CYS N N 57 122.615 117.829 4.786 1
1 619 . 5 1 1 A 58 58 LYS H H 58 7.956 7.801 0.155 1
1 620 . 5 1 1 A 58 58 LYS HA H 58 3.874 3.937 -0.063 1
1 629 . 5 1 1 A 58 58 LYS CA C 58 59.955 59.760 0.195 1
1 630 . 5 1 1 A 58 58 LYS CB C 58 32.272 32.163 0.109 1
1 634 . 5 1 1 A 58 58 LYS N N 58 116.889 119.701 -2.812 1
1 635 . 5 1 1 A 59 59 GLN H H 59 7.359 7.732 -0.373 1
1 636 . 5 1 1 A 59 59 GLN HA H 59 3.789 4.064 -0.275 1
1 643 . 5 1 1 A 59 59 GLN CA C 59 60.647 58.814 1.833 1
1 644 . 5 1 1 A 59 59 GLN CB C 59 27.196 28.238 -1.042 1
1 646 . 5 1 1 A 59 59 GLN N N 59 116.889 119.359 -2.470 1
1 648 . 5 1 1 A 60 60 LEU H H 60 8.303 7.762 0.541 1
1 649 . 5 1 1 A 60 60 LEU HA H 60 4.093 4.003 0.090 1
1 659 . 5 1 1 A 60 60 LEU CA C 60 58.110 57.959 0.151 1
1 660 . 5 1 1 A 60 60 LEU CB C 60 40.807 41.968 -1.161 1
1 664 . 5 1 1 A 60 60 LEU N N 60 118.103 119.861 -1.758 1
1 665 . 5 1 1 A 61 61 ILE H H 61 8.804 8.043 0.761 1
1 666 . 5 1 1 A 61 61 ILE HA H 61 3.801 3.518 0.283 1
1 676 . 5 1 1 A 61 61 ILE CA C 61 63.416 65.687 -2.271 1
1 677 . 5 1 1 A 61 61 ILE CB C 61 36.886 37.658 -0.772 1
1 681 . 5 1 1 A 61 61 ILE N N 61 118.624 118.511 0.113 1
1 682 . 5 1 1 A 62 62 ALA H H 62 7.796 7.970 -0.174 1
1 683 . 5 1 1 A 62 62 ALA HA H 62 4.058 4.116 -0.058 1
1 687 . 5 1 1 A 62 62 ALA CA C 62 56.030 55.294 0.736 1
1 688 . 5 1 1 A 62 62 ALA CB C 62 18.068 18.081 -0.013 1
1 689 . 5 1 1 A 62 62 ALA N N 62 124.003 122.742 1.261 1
1 690 . 5 1 1 A 63 63 LEU H H 63 8.011 7.766 0.245 1
1 691 . 5 1 1 A 63 63 LEU HA H 63 4.077 4.070 0.007 1
1 701 . 5 1 1 A 63 63 LEU CA C 63 58.110 57.849 0.261 1
1 702 . 5 1 1 A 63 63 LEU CB C 63 42.116 41.392 0.724 1
1 706 . 5 1 1 A 63 63 LEU N N 63 117.583 119.207 -1.624 1
1 707 . 5 1 1 A 64 64 CYS H H 64 8.818 8.597 0.221 1
1 708 . 5 1 1 A 64 64 CYS HA H 64 4.053 4.292 -0.239 1
1 711 . 5 1 1 A 64 64 CYS CA C 64 64.800 62.930 1.870 1
1 712 . 5 1 1 A 64 64 CYS CB C 64 26.504 27.048 -0.544 1
1 713 . 5 1 1 A 64 64 CYS N N 64 118.277 116.905 1.372 1
1 714 . 5 1 1 A 65 65 CYS H H 65 8.793 8.763 0.030 1
1 715 . 5 1 1 A 65 65 CYS HA H 65 4.258 4.100 0.158 1
1 718 . 5 1 1 A 65 65 CYS CA C 65 63.646 63.885 -0.239 1
1 719 . 5 1 1 A 65 65 CYS CB C 65 26.966 26.683 0.283 1
1 720 . 5 1 1 A 65 65 CYS N N 65 118.971 119.321 -0.350 1
1 721 . 5 1 1 A 66 66 TYR H H 66 8.369 8.370 -0.001 1
1 722 . 5 1 1 A 66 66 TYR HA H 66 4.034 4.211 -0.177 1
1 729 . 5 1 1 A 66 66 TYR CA C 66 60.886 61.807 -0.921 1
1 730 . 5 1 1 A 66 66 TYR CB C 66 37.808 38.594 -0.786 1
1 733 . 5 1 1 A 66 66 TYR N N 66 121.574 122.475 -0.901 1
1 734 . 5 1 1 A 67 67 HIS H H 67 8.633 7.637 0.996 1
1 735 . 5 1 1 A 67 67 HIS HA H 67 4.318 4.260 0.058 1
1 740 . 5 1 1 A 67 67 HIS CA C 67 58.998 59.934 -0.936 1
1 741 . 5 1 1 A 67 67 HIS CB C 67 27.409 30.272 -2.863 1
1 744 . 5 1 1 A 67 67 HIS N N 67 117.409 118.934 -1.525 1
1 745 . 5 1 1 A 68 68 ALA H H 68 8.725 8.852 -0.127 1
1 746 . 5 1 1 A 68 68 ALA HA H 68 4.019 3.932 0.087 1
1 750 . 5 1 1 A 68 68 ALA CA C 68 54.690 55.303 -0.613 1
1 751 . 5 1 1 A 68 68 ALA CB C 68 19.964 18.568 1.396 1
1 752 . 5 1 1 A 68 68 ALA N N 68 122.094 120.942 1.152 1
1 753 . 5 1 1 A 69 69 LYS H H 69 7.362 8.034 -0.672 1
1 754 . 5 1 1 A 69 69 LYS HA H 69 3.736 4.045 -0.309 1
1 763 . 5 1 1 A 69 69 LYS CA C 69 58.137 59.133 -0.996 1
1 764 . 5 1 1 A 69 69 LYS CB C 69 32.224 32.197 0.027 1
1 768 . 5 1 1 A 69 69 LYS N N 69 114.807 117.783 -2.976 1
1 769 . 5 1 1 A 70 70 HIS H H 70 7.011 7.844 -0.833 1
1 770 . 5 1 1 A 70 70 HIS HA H 70 4.697 4.176 0.521 1
1 774 . 5 1 1 A 70 70 HIS CA C 70 54.835 58.838 -4.003 1
1 775 . 5 1 1 A 70 70 HIS CB C 70 30.477 30.089 0.388 1
1 777 . 5 1 1 A 70 70 HIS N N 70 112.898 119.553 -6.655 1
1 778 . 5 1 1 A 71 71 CYS H H 71 7.012 7.497 -0.485 1
1 779 . 5 1 1 A 71 71 CYS HA H 71 4.032 4.215 -0.183 1
1 782 . 5 1 1 A 71 71 CYS CA C 71 59.948 60.065 -0.117 1
1 783 . 5 1 1 A 71 71 CYS CB C 71 29.752 27.943 1.809 1
1 784 . 5 1 1 A 71 71 CYS N N 71 123.829 118.498 5.331 1
1 785 . 5 1 1 A 72 72 GLN H H 72 9.181 8.782 0.399 1
1 786 . 5 1 1 A 72 72 GLN HA H 72 4.674 4.585 0.089 1
1 793 . 5 1 1 A 72 72 GLN CA C 72 54.224 55.524 -1.300 1
1 794 . 5 1 1 A 72 72 GLN CB C 72 29.049 30.445 -1.396 1
1 796 . 5 1 1 A 72 72 GLN N N 72 128.341 122.348 5.993 1
1 798 . 5 1 1 A 73 73 GLU H H 73 8.396 7.296 1.100 1
1 799 . 5 1 1 A 73 73 GLU HA H 73 4.389 4.294 0.095 1
1 804 . 5 1 1 A 73 73 GLU CA C 73 55.341 56.663 -1.322 1
1 805 . 5 1 1 A 73 73 GLU CB C 73 30.239 30.803 -0.564 1
1 807 . 5 1 1 A 73 73 GLU N N 73 123.309 122.585 0.724 1
1 808 . 5 1 1 A 74 74 ASN H H 74 8.921 9.140 -0.219 1
1 809 . 5 1 1 A 74 74 ASN HA H 74 4.538 4.920 -0.382 1
1 814 . 5 1 1 A 74 74 ASN CA C 74 54.666 53.623 1.043 1
1 815 . 5 1 1 A 74 74 ASN CB C 74 38.301 40.020 -1.719 1
1 816 . 5 1 1 A 74 74 ASN N N 74 124.870 123.320 1.550 1
1 818 . 5 1 1 A 75 75 LYS H H 75 8.847 7.838 1.009 1
1 819 . 5 1 1 A 75 75 LYS HA H 75 4.442 4.647 -0.205 1
1 828 . 5 1 1 A 75 75 LYS CA C 75 54.327 55.298 -0.971 1
1 829 . 5 1 1 A 75 75 LYS CB C 75 30.837 33.153 -2.316 1
1 833 . 5 1 1 A 75 75 LYS N N 75 121.574 115.969 5.605 1
1 834 . 5 1 1 A 76 76 CYS H H 76 7.191 7.336 -0.145 1
1 835 . 5 1 1 A 76 76 CYS HA H 76 4.389 4.410 -0.021 1
1 838 . 5 1 1 A 76 76 CYS CA C 76 57.270 57.753 -0.483 1
1 839 . 5 1 1 A 76 76 CYS CB C 76 30.613 28.120 2.493 1
1 840 . 5 1 1 A 76 76 CYS N N 76 124.350 121.590 2.760 1
1 841 . 5 1 1 A 77 77 PRO HA H 77 4.673 4.411 0.262 1
1 848 . 5 1 1 A 77 77 PRO CA C 77 62.878 64.463 -1.585 1
1 849 . 5 1 1 A 77 77 PRO CB C 77 31.950 32.036 -0.086 1
1 852 . 5 1 1 A 78 78 VAL H H 78 8.974 7.735 1.239 1
1 853 . 5 1 1 A 78 78 VAL HA H 78 4.187 4.165 0.022 1
1 861 . 5 1 1 A 78 78 VAL CA C 78 61.637 61.122 0.515 1
1 862 . 5 1 1 A 78 78 VAL CB C 78 31.654 32.314 -0.660 1
1 865 . 5 1 1 A 78 78 VAL N N 78 128.688 119.689 8.999 1
1 866 . 5 1 1 A 79 79 PRO HA H 79 3.938 4.300 -0.362 1
1 873 . 5 1 1 A 79 79 PRO CA C 79 63.962 64.866 -0.904 1
1 874 . 5 1 1 A 79 79 PRO CB C 79 30.887 31.889 -1.002 1
1 877 . 5 1 1 A 80 80 PHE HA H 80 4.350 4.408 -0.058 1
1 884 . 5 1 1 A 80 80 PHE CA C 80 59.032 59.633 -0.601 1
1 885 . 5 1 1 A 80 80 PHE CB C 80 37.686 39.920 -2.234 1
1 888 . 5 1 1 A 81 81 CYS H H 81 7.686 8.228 -0.542 1
1 889 . 5 1 1 A 81 81 CYS HA H 81 4.001 4.075 -0.074 1
1 892 . 5 1 1 A 81 81 CYS CA C 81 64.779 62.504 2.275 1
1 893 . 5 1 1 A 81 81 CYS CB C 81 29.524 26.437 3.087 1
1 894 . 5 1 1 A 81 81 CYS N N 81 124.176 118.742 5.434 1
1 895 . 5 1 1 A 82 82 LEU H H 82 8.267 8.220 0.047 1
1 896 . 5 1 1 A 82 82 LEU HA H 82 4.010 3.613 0.397 1
1 906 . 5 1 1 A 82 82 LEU CA C 82 58.340 57.861 0.479 1
1 907 . 5 1 1 A 82 82 LEU CB C 82 40.862 41.381 -0.519 1
1 911 . 5 1 1 A 82 82 LEU N N 82 114.980 121.164 -6.184 1
1 912 . 5 1 1 A 83 83 ASN H H 83 7.917 8.297 -0.380 1
1 913 . 5 1 1 A 83 83 ASN HA H 83 4.490 4.554 -0.064 1
1 918 . 5 1 1 A 83 83 ASN CA C 83 56.061 56.581 -0.520 1
1 919 . 5 1 1 A 83 83 ASN CB C 83 38.494 38.500 -0.006 1
1 920 . 5 1 1 A 83 83 ASN N N 83 116.542 116.983 -0.441 1
1 922 . 5 1 1 A 84 84 ILE H H 84 8.788 8.138 0.650 1
1 923 . 5 1 1 A 84 84 ILE HA H 84 3.734 3.843 -0.109 1
1 933 . 5 1 1 A 84 84 ILE CA C 84 65.142 64.634 0.508 1
1 934 . 5 1 1 A 84 84 ILE CB C 84 38.039 37.739 0.300 1
1 938 . 5 1 1 A 84 84 ILE N N 84 121.747 120.515 1.232 1
1 939 . 5 1 1 A 85 85 LYS H H 85 8.954 8.362 0.592 1
1 940 . 5 1 1 A 85 85 LYS HA H 85 3.839 4.141 -0.302 1
1 949 . 5 1 1 A 85 85 LYS CA C 85 60.936 58.779 2.157 1
1 950 . 5 1 1 A 85 85 LYS CB C 85 32.041 32.068 -0.027 1
1 954 . 5 1 1 A 85 85 LYS N N 85 119.665 120.396 -0.731 1
1 955 . 5 1 1 A 86 86 HIS H H 86 8.043 7.700 0.343 1
1 956 . 5 1 1 A 86 86 HIS HA H 86 4.411 4.340 0.071 1
1 960 . 5 1 1 A 86 86 HIS CA C 86 58.746 59.920 -1.174 1
1 961 . 5 1 1 A 86 86 HIS CB C 86 30.067 29.987 0.080 1
1 963 . 5 1 1 A 86 86 HIS N N 86 116.542 118.914 -2.372 1
1 964 . 5 1 1 A 87 87 LYS H H 87 7.822 7.798 0.024 1
1 965 . 5 1 1 A 87 87 LYS HA H 87 4.158 4.139 0.019 1
1 968 . 5 1 1 A 87 87 LYS CA C 87 57.879 58.352 -0.473 1
1 969 . 5 1 1 A 87 87 LYS N N 87 119.318 120.337 -1.019 1
1 970 . 5 1 1 A 88 88 LEU H H 88 8.405 8.373 0.032 1
1 971 . 5 1 1 A 88 88 LEU HA H 88 4.194 4.084 0.110 1
1 981 . 5 1 1 A 88 88 LEU CA C 88 56.289 57.684 -1.395 1
1 982 . 5 1 1 A 88 88 LEU CB C 88 41.692 41.342 0.350 1
1 986 . 5 1 1 A 88 88 LEU N N 88 119.144 120.202 -1.058 1
1 987 . 5 1 1 A 89 89 ARG H H 89 7.826 8.680 -0.854 1
1 988 . 5 1 1 A 89 89 ARG HA H 89 4.271 4.107 0.164 1
1 995 . 5 1 1 A 89 89 ARG CA C 89 56.666 58.844 -2.178 1
1 996 . 5 1 1 A 89 89 ARG CB C 89 29.965 29.828 0.137 1
1 999 . 5 1 1 A 89 89 ARG N N 89 118.450 117.857 0.593 1
1 1000 . 5 1 1 A 90 90 GLN H H 90 7.935 7.944 -0.009 1
1 1001 . 5 1 1 A 90 90 GLN HA H 90 4.270 4.141 0.129 1
1 1008 . 5 1 1 A 90 90 GLN CA C 90 55.840 58.160 -2.320 1
1 1009 . 5 1 1 A 90 90 GLN CB C 90 28.989 28.663 0.326 1
1 1011 . 5 1 1 A 90 90 GLN N N 90 119.318 118.189 1.129 1
1 1013 . 5 1 1 A 91 91 GLN H H 91 8.141 8.029 0.112 1
1 1014 . 5 1 1 A 91 91 GLN HA H 91 4.352 4.521 -0.169 1
1 1021 . 5 1 1 A 91 91 GLN CA C 91 55.581 55.311 0.270 1
1 1022 . 5 1 1 A 91 91 GLN CB C 91 29.284 30.787 -1.503 1
1 1024 . 5 1 1 A 91 91 GLN N N 91 120.706 116.317 4.389 1
1 1043 . 5 2 2 B 2 2 SER CB C 707 63.646 62.368 1.278 1
1 1044 . 5 2 2 B 3 3 HIS HA H 708 4.663 4.878 -0.215 1
1 1047 . 5 2 2 B 3 3 HIS CA C 708 56.033 55.632 0.401 1
1 1048 . 5 2 2 B 3 3 HIS CB C 708 30.146 30.912 -0.766 1
1 1053 . 5 2 2 B 5 5 SER H H 710 8.437 8.992 -0.555 1
1 1054 . 5 2 2 B 5 5 SER HA H 710 4.429 4.377 0.052 1
1 1057 . 5 2 2 B 5 5 SER CA C 710 58.340 60.789 -2.449 1
1 1058 . 5 2 2 B 5 5 SER CB C 710 63.416 63.392 0.024 1
1 1059 . 5 2 2 B 5 5 SER N N 710 117.160 115.500 1.660 1
1 1060 . 5 2 2 B 6 6 GLU H H 711 8.458 8.251 0.207 1
1 1061 . 5 2 2 B 6 6 GLU HA H 711 4.311 4.135 0.176 1
1 1066 . 5 2 2 B 6 6 GLU CA C 711 56.033 58.429 -2.396 1
1 1067 . 5 2 2 B 6 6 GLU CB C 711 30.223 29.034 1.189 1
1 1069 . 5 2 2 B 6 6 GLU N N 711 123.053 121.960 1.093 1
1 1070 . 5 2 2 B 7 7 VAL H H 712 8.150 7.538 0.612 1
1 1071 . 5 2 2 B 7 7 VAL HA H 712 4.050 4.202 -0.152 1
1 1079 . 5 2 2 B 7 7 VAL CA C 712 61.801 62.463 -0.662 1
1 1080 . 5 2 2 B 7 7 VAL CB C 712 32.041 31.798 0.243 1
1 1083 . 5 2 2 B 7 7 VAL N N 712 121.173 115.621 5.552 1
1 1084 . 5 2 2 B 8 8 HIS H H 713 8.495 7.521 0.974 1
1 1085 . 5 2 2 B 8 8 HIS HA H 713 4.914 4.215 0.699 1
1 1089 . 5 2 2 B 8 8 HIS CA C 713 53.945 56.479 -2.534 1
1 1090 . 5 2 2 B 8 8 HIS CB C 713 30.218 27.367 2.851 1
1 1092 . 5 2 2 B 8 8 HIS N N 713 125.310 116.929 8.381 1
1 1093 . 5 2 2 B 9 9 PRO HA H 714 4.430 4.576 -0.146 1
1 1100 . 5 2 2 B 9 9 PRO CA C 714 63.409 62.397 1.012 1
1 1101 . 5 2 2 B 9 9 PRO CB C 714 32.018 32.738 -0.720 1
1 1104 . 5 2 2 B 10 10 SER H H 715 8.889 8.799 0.090 1
1 1105 . 5 2 2 B 10 10 SER HA H 715 4.437 4.145 0.292 1
1 1108 . 5 2 2 B 10 10 SER CA C 715 58.571 61.207 -2.636 1
1 1109 . 5 2 2 B 10 10 SER CB C 715 63.213 63.130 0.083 1
1 1110 . 5 2 2 B 10 10 SER N N 715 116.533 116.002 0.531 1
1 1111 . 5 2 2 B 11 11 ARG H H 716 8.442 7.812 0.630 1
1 1112 . 5 2 2 B 11 11 ARG HA H 716 4.388 3.858 0.530 1
1 1119 . 5 2 2 B 11 11 ARG CA C 716 55.882 56.929 -1.047 1
1 1120 . 5 2 2 B 11 11 ARG CB C 716 30.395 27.590 2.805 1
1 1123 . 5 2 2 B 11 11 ARG N N 716 122.803 116.646 6.157 1
1 1124 . 5 2 2 B 12 12 LEU H H 717 8.133 7.793 0.340 1
1 1125 . 5 2 2 B 12 12 LEU HA H 717 4.356 4.131 0.225 1
1 1135 . 5 2 2 B 12 12 LEU CA C 717 54.880 55.987 -1.107 1
1 1136 . 5 2 2 B 12 12 LEU CB C 717 42.081 42.692 -0.611 1
1 1140 . 5 2 2 B 12 12 LEU N N 717 122.552 120.559 1.993 1
1 1141 . 5 2 2 B 13 13 GLN H H 718 8.440 8.583 -0.143 1
1 1142 . 5 2 2 B 13 13 GLN HA H 718 4.454 4.713 -0.259 1
1 1149 . 5 2 2 B 13 13 GLN CA C 718 55.341 55.067 0.274 1
1 1150 . 5 2 2 B 13 13 GLN CB C 718 29.285 29.369 -0.084 1
1 1152 . 5 2 2 B 13 13 GLN N N 718 121.298 121.990 -0.692 1
1 1154 . 5 2 2 B 14 14 THR H H 719 8.257 7.403 0.854 1
1 1155 . 5 2 2 B 14 14 THR HA H 719 4.438 4.211 0.227 1
1 1160 . 5 2 2 B 14 14 THR CA C 719 61.339 61.673 -0.334 1
1 1161 . 5 2 2 B 14 14 THR CB C 719 69.456 70.330 -0.874 1
1 1163 . 5 2 2 B 14 14 THR N N 719 115.154 112.515 2.639 1
1 1164 . 5 2 2 B 15 15 THR H H 720 8.240 8.913 -0.673 1
1 1165 . 5 2 2 B 15 15 THR HA H 720 4.275 3.980 0.295 1
1 1170 . 5 2 2 B 15 15 THR CA C 720 61.967 65.748 -3.781 1
1 1171 . 5 2 2 B 15 15 THR CB C 720 69.183 68.093 1.090 1
1 1173 . 5 2 2 B 15 15 THR N N 720 115.029 115.412 -0.383 1
1 1174 . 5 2 2 B 16 16 ASP H H 721 8.293 8.400 -0.107 1
1 1175 . 5 2 2 B 16 16 ASP HA H 721 4.494 4.555 -0.061 1
1 1178 . 5 2 2 B 16 16 ASP CA C 721 54.880 55.998 -1.118 1
1 1179 . 5 2 2 B 16 16 ASP CB C 721 40.891 40.532 0.359 1
1 1180 . 5 2 2 B 16 16 ASP N N 721 122.427 121.475 0.952 1
1 1181 . 5 2 2 B 17 17 ASN H H 722 8.272 7.647 0.625 1
1 1182 . 5 2 2 B 17 17 ASN HA H 722 4.577 4.915 -0.338 1
1 1187 . 5 2 2 B 17 17 ASN CA C 722 53.330 52.435 0.895 1
1 1188 . 5 2 2 B 17 17 ASN CB C 722 38.332 39.147 -0.815 1
1 1189 . 5 2 2 B 17 17 ASN N N 722 118.916 117.864 1.052 1
1 1191 . 5 2 2 B 18 18 LEU H H 723 8.204 7.668 0.536 1
1 1192 . 5 2 2 B 18 18 LEU HA H 723 4.191 4.164 0.027 1
1 1202 . 5 2 2 B 18 18 LEU CA C 723 54.200 56.764 -2.564 1
1 1203 . 5 2 2 B 18 18 LEU CB C 723 43.545 41.328 2.217 1
1 1207 . 5 2 2 B 18 18 LEU N N 723 121.173 119.036 2.137 1
1 1208 . 5 2 2 B 19 19 LEU H H 724 7.416 7.436 -0.020 1
1 1209 . 5 2 2 B 19 19 LEU HA H 724 4.273 4.337 -0.064 1
1 1219 . 5 2 2 B 19 19 LEU CA C 724 52.415 53.888 -1.473 1
1 1220 . 5 2 2 B 19 19 LEU CB C 724 40.471 42.196 -1.725 1
1 1224 . 5 2 2 B 19 19 LEU N N 724 117.286 121.947 -4.661 1
1 1225 . 5 2 2 B 20 20 PRO HA H 725 4.271 4.510 -0.239 1
1 1232 . 5 2 2 B 20 20 PRO CA C 725 63.877 64.172 -0.295 1
1 1233 . 5 2 2 B 20 20 PRO CB C 725 32.716 31.759 0.957 1
1 1236 . 5 2 2 B 21 21 MET H H 726 8.932 7.600 1.332 1
1 1237 . 5 2 2 B 21 21 MET HA H 726 4.841 4.883 -0.042 1
1 1245 . 5 2 2 B 21 21 MET CA C 726 54.199 54.290 -0.091 1
1 1246 . 5 2 2 B 21 21 MET CB C 726 36.939 35.786 1.153 1
1 1249 . 5 2 2 B 21 21 MET N N 726 116.784 118.434 -1.650 1
1 1250 . 5 2 2 B 22 22 SER H H 727 8.956 8.852 0.104 1
1 1251 . 5 2 2 B 22 22 SER HA H 727 4.771 5.085 -0.314 1
1 1254 . 5 2 2 B 22 22 SER CA C 727 56.255 56.353 -0.098 1
1 1255 . 5 2 2 B 22 22 SER CB C 727 62.528 63.600 -1.072 1
1 1256 . 5 2 2 B 22 22 SER N N 727 119.167 116.929 2.238 1
1 1257 . 5 2 2 B 23 23 PRO HA H 728 4.312 4.278 0.034 1
1 1264 . 5 2 2 B 23 23 PRO CA C 728 65.953 65.579 0.374 1
1 1265 . 5 2 2 B 23 23 PRO CB C 728 31.810 31.856 -0.046 1
1 1268 . 5 2 2 B 24 24 GLU H H 729 8.877 8.493 0.384 1
1 1269 . 5 2 2 B 24 24 GLU HA H 729 4.163 4.061 0.102 1
1 1274 . 5 2 2 B 24 24 GLU CA C 729 59.748 59.680 0.068 1
1 1275 . 5 2 2 B 24 24 GLU CB C 729 28.819 29.029 -0.210 1
1 1277 . 5 2 2 B 24 24 GLU N N 729 116.283 117.787 -1.504 1
1 1278 . 5 2 2 B 25 25 GLU H H 730 7.789 7.639 0.150 1
1 1279 . 5 2 2 B 25 25 GLU HA H 730 3.787 4.046 -0.259 1
1 1284 . 5 2 2 B 25 25 GLU CA C 730 59.266 58.887 0.379 1
1 1285 . 5 2 2 B 25 25 GLU CB C 730 29.501 29.705 -0.204 1
1 1287 . 5 2 2 B 25 25 GLU N N 730 121.298 120.089 1.209 1
1 1288 . 5 2 2 B 26 26 PHE H H 731 8.730 8.458 0.272 1
1 1289 . 5 2 2 B 26 26 PHE HA H 731 4.364 4.175 0.189 1
1 1296 . 5 2 2 B 26 26 PHE CA C 731 59.724 61.510 -1.786 1
1 1297 . 5 2 2 B 26 26 PHE CB C 731 38.230 39.414 -1.184 1
1 1300 . 5 2 2 B 26 26 PHE N N 731 119.543 121.334 -1.791 1
1 1301 . 5 2 2 B 27 27 ASP H H 732 8.587 8.256 0.331 1
1 1302 . 5 2 2 B 27 27 ASP HA H 732 4.097 4.366 -0.269 1
1 1305 . 5 2 2 B 27 27 ASP CA C 732 57.256 58.121 -0.865 1
1 1306 . 5 2 2 B 27 27 ASP CB C 732 40.421 41.519 -1.098 1
1 1307 . 5 2 2 B 27 27 ASP N N 732 121.549 118.492 3.057 1
1 1308 . 5 2 2 B 28 28 GLU H H 733 7.383 7.855 -0.472 1
1 1309 . 5 2 2 B 28 28 GLU HA H 733 4.155 4.119 0.036 1
1 1314 . 5 2 2 B 28 28 GLU CA C 733 58.749 58.779 -0.030 1
1 1315 . 5 2 2 B 28 28 GLU CB C 733 28.933 29.372 -0.439 1
1 1317 . 5 2 2 B 28 28 GLU N N 733 119.793 119.457 0.336 1
1 1318 . 5 2 2 B 29 29 VAL H H 734 8.246 7.588 0.658 1
1 1319 . 5 2 2 B 29 29 VAL HA H 734 3.595 3.424 0.171 1
1 1327 . 5 2 2 B 29 29 VAL CA C 734 66.219 66.049 0.170 1
1 1328 . 5 2 2 B 29 29 VAL CB C 734 31.362 31.481 -0.119 1
1 1331 . 5 2 2 B 29 29 VAL N N 734 118.540 120.911 -2.371 1
1 1332 . 5 2 2 B 30 30 SER H H 735 8.384 8.254 0.130 1
1 1333 . 5 2 2 B 30 30 SER HA H 735 3.912 3.707 0.205 1
1 1336 . 5 2 2 B 30 30 SER CA C 735 61.703 61.212 0.491 1
1 1337 . 5 2 2 B 30 30 SER CB C 735 62.059 62.761 -0.702 1
1 1338 . 5 2 2 B 30 30 SER N N 735 115.154 115.052 0.102 1
1 1339 . 5 2 2 B 31 31 ARG H H 736 7.683 7.791 -0.108 1
1 1340 . 5 2 2 B 31 31 ARG HA H 736 4.027 4.045 -0.018 1
1 1348 . 5 2 2 B 31 31 ARG CA C 736 58.571 58.908 -0.337 1
1 1349 . 5 2 2 B 31 31 ARG CB C 736 30.068 29.660 0.408 1
1 1352 . 5 2 2 B 31 31 ARG N N 736 121.549 121.278 0.271 1
1 1354 . 5 2 2 B 32 32 ILE H H 737 7.703 7.193 0.510 1
1 1355 . 5 2 2 B 32 32 ILE HA H 737 3.859 3.879 -0.020 1
1 1365 . 5 2 2 B 32 32 ILE CA C 737 63.445 64.422 -0.977 1
1 1366 . 5 2 2 B 32 32 ILE CB C 737 38.332 38.326 0.006 1
1 1370 . 5 2 2 B 32 32 ILE N N 737 119.167 120.312 -1.145 1
1 1371 . 5 2 2 B 33 33 VAL H H 738 8.293 7.903 0.390 1
1 1372 . 5 2 2 B 33 33 VAL HA H 738 3.901 3.712 0.189 1
1 1380 . 5 2 2 B 33 33 VAL CA C 738 63.805 65.393 -1.588 1
1 1381 . 5 2 2 B 33 33 VAL CB C 738 32.408 31.671 0.737 1
1 1384 . 5 2 2 B 33 33 VAL N N 738 116.157 119.123 -2.966 1
1 1385 . 5 2 2 B 34 34 GLY H H 739 7.868 7.833 0.035 1
1 1386 . 5 2 2 B 34 34 GLY HA2 H 739 3.813 3.837 -0.024 1
1 1387 . 5 2 2 B 34 34 GLY HA3 H 739 4.120 3.861 0.259 1
1 1388 . 5 2 2 B 34 34 GLY CA C 739 44.831 46.665 -1.834 1
1 1389 . 5 2 2 B 34 34 GLY N N 739 108.258 110.613 -2.355 1
1 1390 . 5 2 2 B 35 35 SER H H 740 8.366 8.178 0.188 1
1 1391 . 5 2 2 B 35 35 SER HA H 740 4.389 3.915 0.474 1
1 1394 . 5 2 2 B 35 35 SER CA C 740 58.261 59.129 -0.868 1
1 1395 . 5 2 2 B 35 35 SER CB C 740 62.663 61.659 1.004 1
1 1396 . 5 2 2 B 35 35 SER N N 740 116.408 108.779 7.629 1
1 1397 . 5 2 2 B 36 36 VAL H H 741 7.897 7.598 0.299 1
1 1398 . 5 2 2 B 36 36 VAL HA H 741 4.054 3.844 0.210 1
1 1406 . 5 2 2 B 36 36 VAL CA C 741 61.737 66.041 -4.304 1
1 1407 . 5 2 2 B 36 36 VAL CB C 741 33.084 31.588 1.496 1
1 1410 . 5 2 2 B 36 36 VAL N N 741 122.928 119.308 3.620 1
1 1411 . 5 2 2 B 37 37 GLU H H 742 8.468 8.008 0.460 1
1 1412 . 5 2 2 B 37 37 GLU HA H 742 4.306 4.707 -0.401 1
1 1417 . 5 2 2 B 37 37 GLU CA C 742 55.803 55.924 -0.121 1
1 1418 . 5 2 2 B 37 37 GLU CB C 742 29.029 30.912 -1.883 1
1 1420 . 5 2 2 B 37 37 GLU N N 742 124.057 119.354 4.703 1
1 1421 . 5 2 2 B 38 38 PHE H H 743 8.222 7.601 0.621 1
1 1422 . 5 2 2 B 38 38 PHE HA H 743 4.360 4.054 0.306 1
1 1429 . 5 2 2 B 38 38 PHE CA C 743 59.263 61.773 -2.510 1
1 1430 . 5 2 2 B 38 38 PHE CB C 743 39.524 39.479 0.045 1
1 1433 . 5 2 2 B 38 38 PHE N N 743 122.427 121.759 0.668 1
1 1434 . 5 2 2 B 39 39 ASP H H 744 8.602 8.870 -0.268 1
1 1435 . 5 2 2 B 39 39 ASP HA H 744 4.380 4.385 -0.005 1
1 1438 . 5 2 2 B 39 39 ASP CA C 744 56.495 55.129 1.366 1
1 1439 . 5 2 2 B 39 39 ASP CB C 744 40.119 39.490 0.629 1
1 1440 . 5 2 2 B 39 39 ASP N N 744 120.044 117.502 2.542 1
1 1441 . 5 2 2 B 40 40 SER H H 745 8.143 7.896 0.247 1
1 1442 . 5 2 2 B 40 40 SER HA H 745 4.328 4.760 -0.432 1
1 1445 . 5 2 2 B 40 40 SER CA C 745 59.724 57.694 2.030 1
1 1446 . 5 2 2 B 40 40 SER CB C 745 62.723 64.654 -1.931 1
1 1447 . 5 2 2 B 40 40 SER N N 745 114.527 114.585 -0.058 1
1 1448 . 5 2 2 B 41 41 MET H H 746 7.930 7.588 0.342 1
1 1449 . 5 2 2 B 41 41 MET HA H 746 4.374 4.264 0.110 1
1 1457 . 5 2 2 B 41 41 MET CA C 746 56.244 57.697 -1.453 1
1 1458 . 5 2 2 B 41 41 MET CB C 746 32.502 31.772 0.730 1
1 1461 . 5 2 2 B 41 41 MET N N 746 120.044 120.967 -0.923 1
1 1462 . 5 2 2 B 42 42 MET H H 747 7.784 7.743 0.041 1
1 1463 . 5 2 2 B 42 42 MET HA H 747 4.232 4.586 -0.354 1
1 1471 . 5 2 2 B 42 42 MET CA C 747 55.830 54.653 1.177 1
1 1472 . 5 2 2 B 42 42 MET CB C 747 32.502 32.716 -0.214 1
1 1475 . 5 2 2 B 42 42 MET N N 747 117.035 116.665 0.370 1
1 1476 . 5 2 2 B 43 43 ASN H H 748 7.960 7.939 0.021 1
1 1477 . 5 2 2 B 43 43 ASN HA H 748 4.831 4.564 0.267 1
1 1482 . 5 2 2 B 43 43 ASN CA C 748 53.146 55.172 -2.026 1
1 1483 . 5 2 2 B 43 43 ASN CB C 748 38.795 39.185 -0.390 1
1 1484 . 5 2 2 B 43 43 ASN N N 748 117.537 119.490 -1.953 1
1 1486 . 5 2 2 B 44 44 THR H H 749 8.039 7.843 0.196 1
1 1487 . 5 2 2 B 44 44 THR HA H 749 4.432 3.965 0.467 1
1 1492 . 5 2 2 B 44 44 THR CA C 749 61.570 66.406 -4.836 1
1 1493 . 5 2 2 B 44 44 THR CB C 749 69.644 68.174 1.470 1
1 1495 . 5 2 2 B 44 44 THR N N 749 114.026 115.182 -1.156 1
1 6 . 6 1 1 A 2 2 PRO HA H 2 4.396 4.304 0.092 1
1 13 . 6 1 1 A 2 2 PRO CA C 2 65.107 66.178 -1.071 1
1 14 . 6 1 1 A 2 2 PRO CB C 2 31.810 31.328 0.482 1
1 17 . 6 1 1 A 3 3 GLN H H 3 8.509 8.357 0.152 1
1 18 . 6 1 1 A 3 3 GLN HA H 3 3.962 4.036 -0.074 1
1 25 . 6 1 1 A 3 3 GLN CA C 3 59.223 58.829 0.394 1
1 26 . 6 1 1 A 3 3 GLN CB C 3 28.119 28.129 -0.010 1
1 28 . 6 1 1 A 3 3 GLN N N 3 117.064 117.426 -0.362 1
1 30 . 6 1 1 A 4 4 GLU H H 4 7.950 8.429 -0.479 1
1 31 . 6 1 1 A 4 4 GLU HA H 4 4.105 4.070 0.035 1
1 36 . 6 1 1 A 4 4 GLU CA C 4 58.778 59.359 -0.581 1
1 37 . 6 1 1 A 4 4 GLU CB C 4 29.734 29.382 0.352 1
1 39 . 6 1 1 A 4 4 GLU N N 4 121.574 121.659 -0.085 1
1 40 . 6 1 1 A 5 5 SER H H 5 8.511 7.807 0.704 1
1 41 . 6 1 1 A 5 5 SER HA H 5 4.238 4.114 0.124 1
1 44 . 6 1 1 A 5 5 SER CA C 5 61.377 62.023 -0.646 1
1 45 . 6 1 1 A 5 5 SER CB C 5 62.351 62.777 -0.426 1
1 46 . 6 1 1 A 5 5 SER N N 5 115.674 116.429 -0.755 1
1 47 . 6 1 1 A 6 6 ARG H H 6 8.276 7.556 0.720 1
1 48 . 6 1 1 A 6 6 ARG HA H 6 4.324 4.145 0.179 1
1 55 . 6 1 1 A 6 6 ARG CA C 6 58.988 59.268 -0.280 1
1 56 . 6 1 1 A 6 6 ARG CB C 6 30.426 30.317 0.109 1
1 59 . 6 1 1 A 6 6 ARG N N 6 122.441 121.691 0.750 1
1 60 . 6 1 1 A 7 7 ARG H H 7 8.015 7.974 0.041 1
1 61 . 6 1 1 A 7 7 ARG HA H 7 3.955 4.119 -0.164 1
1 68 . 6 1 1 A 7 7 ARG CA C 7 59.724 59.002 0.722 1
1 69 . 6 1 1 A 7 7 ARG CB C 7 29.965 29.972 -0.007 1
1 72 . 6 1 1 A 7 7 ARG N N 7 119.491 119.886 -0.395 1
1 73 . 6 1 1 A 8 8 LEU H H 8 8.158 8.418 -0.260 1
1 74 . 6 1 1 A 8 8 LEU HA H 8 4.161 4.159 0.002 1
1 84 . 6 1 1 A 8 8 LEU CA C 8 57.686 57.570 0.116 1
1 85 . 6 1 1 A 8 8 LEU CB C 8 41.312 41.252 0.060 1
1 89 . 6 1 1 A 8 8 LEU N N 8 120.359 119.793 0.566 1
1 90 . 6 1 1 A 9 9 SER H H 9 8.090 7.912 0.178 1
1 91 . 6 1 1 A 9 9 SER HA H 9 4.292 4.094 0.198 1
1 94 . 6 1 1 A 9 9 SER CA C 9 61.570 62.416 -0.846 1
1 95 . 6 1 1 A 9 9 SER CB C 9 62.493 62.792 -0.299 1
1 96 . 6 1 1 A 9 9 SER N N 9 116.178 114.547 1.631 1
1 97 . 6 1 1 A 10 10 ILE H H 10 8.396 7.831 0.565 1
1 98 . 6 1 1 A 10 10 ILE HA H 10 3.505 3.575 -0.070 1
1 108 . 6 1 1 A 10 10 ILE CA C 10 65.608 64.829 0.779 1
1 109 . 6 1 1 A 10 10 ILE CB C 10 37.706 37.176 0.530 1
1 113 . 6 1 1 A 10 10 ILE N N 10 122.840 121.418 1.422 1
1 114 . 6 1 1 A 11 11 GLN H H 11 8.142 8.309 -0.167 1
1 115 . 6 1 1 A 11 11 GLN HA H 11 4.032 3.989 0.043 1
1 122 . 6 1 1 A 11 11 GLN CA C 11 59.060 59.185 -0.125 1
1 123 . 6 1 1 A 11 11 GLN CB C 11 27.888 28.391 -0.503 1
1 125 . 6 1 1 A 11 11 GLN N N 11 119.144 119.200 -0.056 1
1 127 . 6 1 1 A 12 12 ARG H H 12 8.330 7.810 0.520 1
1 128 . 6 1 1 A 12 12 ARG HA H 12 4.179 4.011 0.168 1
1 135 . 6 1 1 A 12 12 ARG CA C 12 59.494 59.372 0.122 1
1 136 . 6 1 1 A 12 12 ARG CB C 12 29.734 30.001 -0.267 1
1 138 . 6 1 1 A 12 12 ARG N N 12 120.186 118.881 1.305 1
1 139 . 6 1 1 A 13 13 CYS H H 13 8.242 7.615 0.627 1
1 140 . 6 1 1 A 13 13 CYS HA H 13 4.231 4.107 0.124 1
1 143 . 6 1 1 A 13 13 CYS CA C 13 63.289 63.749 -0.460 1
1 144 . 6 1 1 A 13 13 CYS CB C 13 26.505 27.167 -0.662 1
1 145 . 6 1 1 A 13 13 CYS N N 13 121.574 120.888 0.686 1
1 146 . 6 1 1 A 14 14 ILE H H 14 8.493 8.328 0.165 1
1 147 . 6 1 1 A 14 14 ILE HA H 14 3.787 3.568 0.219 1
1 157 . 6 1 1 A 14 14 ILE CA C 14 64.269 65.353 -1.084 1
1 158 . 6 1 1 A 14 14 ILE CB C 14 36.597 37.792 -1.195 1
1 162 . 6 1 1 A 14 14 ILE N N 14 120.012 119.573 0.439 1
1 163 . 6 1 1 A 15 15 GLN H H 15 8.468 8.360 0.108 1
1 164 . 6 1 1 A 15 15 GLN HA H 15 4.107 4.005 0.102 1
1 171 . 6 1 1 A 15 15 GLN CA C 15 58.969 59.049 -0.080 1
1 172 . 6 1 1 A 15 15 GLN CB C 15 27.843 28.580 -0.737 1
1 174 . 6 1 1 A 15 15 GLN N N 15 119.665 118.863 0.802 1
1 176 . 6 1 1 A 16 16 SER H H 16 8.409 8.027 0.382 1
1 177 . 6 1 1 A 16 16 SER HA H 16 4.424 4.093 0.331 1
1 180 . 6 1 1 A 16 16 SER CA C 16 61.726 62.514 -0.788 1
1 181 . 6 1 1 A 16 16 SER CB C 16 62.564 63.043 -0.479 1
1 182 . 6 1 1 A 16 16 SER N N 16 117.062 116.217 0.845 1
1 183 . 6 1 1 A 17 17 LEU H H 17 8.235 8.054 0.181 1
1 184 . 6 1 1 A 17 17 LEU HA H 17 4.103 4.076 0.027 1
1 194 . 6 1 1 A 17 17 LEU CA C 17 58.340 57.852 0.488 1
1 195 . 6 1 1 A 17 17 LEU CB C 17 41.961 41.657 0.304 1
1 199 . 6 1 1 A 17 17 LEU N N 17 125.564 122.804 2.760 1
1 200 . 6 1 1 A 18 18 VAL H H 18 8.603 8.310 0.293 1
1 201 . 6 1 1 A 18 18 VAL HA H 18 3.261 3.551 -0.290 1
1 209 . 6 1 1 A 18 18 VAL CA C 18 67.097 66.519 0.578 1
1 210 . 6 1 1 A 18 18 VAL CB C 18 31.589 31.494 0.095 1
1 213 . 6 1 1 A 18 18 VAL N N 18 119.665 118.842 0.823 1
1 214 . 6 1 1 A 19 19 HIS H H 19 8.083 8.297 -0.214 1
1 215 . 6 1 1 A 19 19 HIS HA H 19 4.231 4.154 0.077 1
1 219 . 6 1 1 A 19 19 HIS CA C 19 59.641 60.105 -0.464 1
1 220 . 6 1 1 A 19 19 HIS CB C 19 26.966 29.730 -2.764 1
1 222 . 6 1 1 A 19 19 HIS N N 19 116.094 119.337 -3.243 1
1 223 . 6 1 1 A 20 20 ALA H H 20 8.796 8.382 0.414 1
1 224 . 6 1 1 A 20 20 ALA HA H 20 4.308 3.994 0.314 1
1 228 . 6 1 1 A 20 20 ALA CA C 20 55.341 55.179 0.162 1
1 229 . 6 1 1 A 20 20 ALA CB C 20 20.026 18.262 1.764 1
1 230 . 6 1 1 A 20 20 ALA N N 20 121.747 120.403 1.344 1
1 231 . 6 1 1 A 21 21 CYS H H 21 7.909 7.976 -0.067 1
1 232 . 6 1 1 A 21 21 CYS HA H 21 4.294 4.249 0.045 1
1 235 . 6 1 1 A 21 21 CYS CA C 21 61.665 62.226 -0.561 1
1 236 . 6 1 1 A 21 21 CYS CB C 21 26.764 26.999 -0.235 1
1 237 . 6 1 1 A 21 21 CYS N N 21 111.875 115.829 -3.954 1
1 238 . 6 1 1 A 22 22 GLN H H 22 7.357 7.455 -0.098 1
1 239 . 6 1 1 A 22 22 GLN HA H 22 4.531 4.316 0.215 1
1 246 . 6 1 1 A 22 22 GLN CA C 22 54.445 56.490 -2.045 1
1 247 . 6 1 1 A 22 22 GLN CB C 22 30.608 30.135 0.473 1
1 249 . 6 1 1 A 22 22 GLN N N 22 116.021 116.478 -0.457 1
1 251 . 6 1 1 A 23 23 CYS H H 23 7.229 7.665 -0.436 1
1 252 . 6 1 1 A 23 23 CYS HA H 23 3.947 4.313 -0.366 1
1 255 . 6 1 1 A 23 23 CYS CA C 23 59.996 59.469 0.527 1
1 256 . 6 1 1 A 23 23 CYS CB C 23 29.000 28.264 0.736 1
1 257 . 6 1 1 A 23 23 CYS N N 23 124.350 118.260 6.090 1
1 258 . 6 1 1 A 24 24 ARG H H 24 8.966 8.748 0.218 1
1 259 . 6 1 1 A 24 24 ARG HA H 24 4.590 4.608 -0.018 1
1 266 . 6 1 1 A 24 24 ARG CA C 24 54.306 56.028 -1.722 1
1 267 . 6 1 1 A 24 24 ARG CB C 24 29.771 32.089 -2.318 1
1 270 . 6 1 1 A 24 24 ARG N N 24 129.729 123.488 6.241 1
1 271 . 6 1 1 A 25 25 ASN H H 25 7.823 7.059 0.764 1
1 272 . 6 1 1 A 25 25 ASN HA H 25 4.853 4.605 0.248 1
1 277 . 6 1 1 A 25 25 ASN CA C 25 51.372 53.775 -2.403 1
1 278 . 6 1 1 A 25 25 ASN CB C 25 38.727 39.065 -0.338 1
1 279 . 6 1 1 A 25 25 ASN N N 25 120.186 118.974 1.212 1
1 281 . 6 1 1 A 26 26 ALA H H 26 9.248 8.947 0.301 1
1 282 . 6 1 1 A 26 26 ALA HA H 26 4.091 4.093 -0.002 1
1 286 . 6 1 1 A 26 26 ALA CA C 26 54.027 54.587 -0.560 1
1 287 . 6 1 1 A 26 26 ALA CB C 26 18.209 18.512 -0.303 1
1 288 . 6 1 1 A 26 26 ALA N N 26 130.423 125.863 4.560 1
1 289 . 6 1 1 A 27 27 ASN H H 27 8.085 7.991 0.094 1
1 290 . 6 1 1 A 27 27 ASN HA H 27 4.834 5.004 -0.170 1
1 295 . 6 1 1 A 27 27 ASN CA C 27 51.625 52.252 -0.627 1
1 296 . 6 1 1 A 27 27 ASN CB C 27 38.577 39.463 -0.886 1
1 297 . 6 1 1 A 27 27 ASN N N 27 113.766 115.258 -1.492 1
1 299 . 6 1 1 A 28 28 CYS H H 28 7.209 7.685 -0.476 1
1 300 . 6 1 1 A 28 28 CYS HA H 28 4.053 4.307 -0.254 1
1 303 . 6 1 1 A 28 28 CYS CA C 28 61.312 59.820 1.492 1
1 304 . 6 1 1 A 28 28 CYS CB C 28 29.674 28.893 0.781 1
1 305 . 6 1 1 A 28 28 CYS N N 28 123.309 120.746 2.563 1
1 306 . 6 1 1 A 29 29 SER H H 29 8.922 8.627 0.295 1
1 307 . 6 1 1 A 29 29 SER HA H 29 4.609 4.198 0.411 1
1 310 . 6 1 1 A 29 29 SER CA C 29 57.450 60.938 -3.488 1
1 311 . 6 1 1 A 29 29 SER CB C 29 63.604 62.847 0.757 1
1 312 . 6 1 1 A 29 29 SER N N 29 124.870 119.649 5.221 1
1 313 . 6 1 1 A 30 30 LEU H H 30 8.513 7.597 0.916 1
1 314 . 6 1 1 A 30 30 LEU HA H 30 4.497 4.405 0.092 1
1 324 . 6 1 1 A 30 30 LEU CA C 30 53.980 52.764 1.216 1
1 325 . 6 1 1 A 30 30 LEU CB C 30 40.643 41.663 -1.020 1
1 329 . 6 1 1 A 30 30 LEU N N 30 128.341 125.110 3.231 1
1 330 . 6 1 1 A 31 31 PRO HA H 31 4.329 4.276 0.053 1
1 337 . 6 1 1 A 31 31 PRO CA C 31 65.026 64.769 0.257 1
1 338 . 6 1 1 A 31 31 PRO CB C 31 31.580 32.235 -0.655 1
1 341 . 6 1 1 A 32 32 SER H H 32 8.537 8.120 0.417 1
1 342 . 6 1 1 A 32 32 SER HA H 32 4.287 4.196 0.091 1
1 345 . 6 1 1 A 32 32 SER CA C 32 60.277 61.394 -1.117 1
1 346 . 6 1 1 A 32 32 SER CB C 32 62.277 62.382 -0.105 1
1 347 . 6 1 1 A 32 32 SER N N 32 112.551 111.915 0.636 1
1 348 . 6 1 1 A 33 33 CYS H H 33 7.523 8.120 -0.597 1
1 349 . 6 1 1 A 33 33 CYS HA H 33 4.170 3.939 0.231 1
1 352 . 6 1 1 A 33 33 CYS CA C 33 63.408 62.979 0.429 1
1 353 . 6 1 1 A 33 33 CYS CB C 33 29.503 26.544 2.959 1
1 354 . 6 1 1 A 33 33 CYS N N 33 126.085 120.469 5.616 1
1 355 . 6 1 1 A 34 34 GLN H H 34 8.102 7.872 0.230 1
1 356 . 6 1 1 A 34 34 GLN HA H 34 3.963 4.078 -0.115 1
1 359 . 6 1 1 A 34 34 GLN N N 34 115.711 118.930 -3.219 1
1 361 . 6 1 1 A 35 35 LYS H H 35 8.093 7.810 0.283 1
1 362 . 6 1 1 A 35 35 LYS HA H 35 3.994 4.193 -0.199 1
1 371 . 6 1 1 A 35 35 LYS CA C 35 59.502 58.988 0.514 1
1 372 . 6 1 1 A 35 35 LYS CB C 35 32.273 32.559 -0.286 1
1 376 . 6 1 1 A 35 35 LYS N N 35 117.930 120.496 -2.566 1
1 377 . 6 1 1 A 36 36 MET H H 36 8.237 8.653 -0.416 1
1 378 . 6 1 1 A 36 36 MET HA H 36 4.488 4.089 0.399 1
1 386 . 6 1 1 A 36 36 MET CA C 36 56.725 59.290 -2.565 1
1 387 . 6 1 1 A 36 36 MET CB C 36 30.954 32.578 -1.624 1
1 390 . 6 1 1 A 36 36 MET N N 36 117.062 118.511 -1.449 1
1 391 . 6 1 1 A 37 37 LYS H H 37 9.107 8.049 1.058 1
1 392 . 6 1 1 A 37 37 LYS HA H 37 3.900 4.014 -0.114 1
1 401 . 6 1 1 A 37 37 LYS CA C 37 61.097 59.998 1.099 1
1 402 . 6 1 1 A 37 37 LYS CB C 37 32.947 32.311 0.636 1
1 406 . 6 1 1 A 37 37 LYS N N 37 120.186 119.036 1.150 1
1 407 . 6 1 1 A 38 38 ARG H H 38 7.781 7.937 -0.156 1
1 408 . 6 1 1 A 38 38 ARG HA H 38 4.127 4.098 0.029 1
1 413 . 6 1 1 A 38 38 ARG CA C 38 59.263 59.293 -0.030 1
1 414 . 6 1 1 A 38 38 ARG CB C 38 29.965 30.064 -0.099 1
1 416 . 6 1 1 A 38 38 ARG N N 38 118.971 119.741 -0.770 1
1 417 . 6 1 1 A 39 39 VAL H H 39 8.289 7.888 0.401 1
1 418 . 6 1 1 A 39 39 VAL HA H 39 3.539 3.739 -0.200 1
1 426 . 6 1 1 A 39 39 VAL CA C 39 66.989 66.531 0.458 1
1 427 . 6 1 1 A 39 39 VAL CB C 39 31.451 31.712 -0.261 1
1 430 . 6 1 1 A 39 39 VAL N N 39 123.829 120.138 3.691 1
1 431 . 6 1 1 A 40 40 VAL H H 40 8.318 8.352 -0.034 1
1 432 . 6 1 1 A 40 40 VAL HA H 40 3.528 3.798 -0.270 1
1 440 . 6 1 1 A 40 40 VAL CA C 40 67.050 65.283 1.767 1
1 441 . 6 1 1 A 40 40 VAL CB C 40 31.608 31.358 0.250 1
1 444 . 6 1 1 A 40 40 VAL N N 40 119.665 120.406 -0.741 1
1 445 . 6 1 1 A 41 41 GLN H H 41 8.263 8.139 0.124 1
1 446 . 6 1 1 A 41 41 GLN HA H 41 3.974 3.940 0.034 1
1 453 . 6 1 1 A 41 41 GLN CA C 41 58.571 59.248 -0.677 1
1 454 . 6 1 1 A 41 41 GLN CB C 41 28.018 28.508 -0.490 1
1 456 . 6 1 1 A 41 41 GLN N N 41 118.450 122.092 -3.642 1
1 458 . 6 1 1 A 42 42 HIS H H 42 8.309 8.114 0.195 1
1 459 . 6 1 1 A 42 42 HIS HA H 42 4.215 4.359 -0.144 1
1 463 . 6 1 1 A 42 42 HIS CA C 42 59.402 59.347 0.055 1
1 464 . 6 1 1 A 42 42 HIS CB C 42 26.966 30.424 -3.458 1
1 466 . 6 1 1 A 42 42 HIS N N 42 118.971 120.125 -1.154 1
1 467 . 6 1 1 A 43 43 THR H H 43 8.056 8.059 -0.003 1
1 468 . 6 1 1 A 43 43 THR HA H 43 3.929 3.706 0.223 1
1 474 . 6 1 1 A 43 43 THR CA C 43 66.101 67.000 -0.899 1
1 475 . 6 1 1 A 43 43 THR CB C 43 69.107 68.159 0.948 1
1 477 . 6 1 1 A 43 43 THR N N 43 114.320 113.209 1.111 1
1 478 . 6 1 1 A 44 44 LYS H H 44 7.531 7.963 -0.432 1
1 479 . 6 1 1 A 44 44 LYS HA H 44 4.085 4.159 -0.074 1
1 488 . 6 1 1 A 44 44 LYS CA C 44 58.682 58.656 0.026 1
1 489 . 6 1 1 A 44 44 LYS CB C 44 32.024 32.462 -0.438 1
1 493 . 6 1 1 A 44 44 LYS N N 44 120.012 118.927 1.085 1
1 494 . 6 1 1 A 45 45 GLY H H 45 7.143 7.727 -0.584 1
1 495 . 6 1 1 A 45 45 GLY HA2 H 45 3.625 4.071 -0.446 1
1 496 . 6 1 1 A 45 45 GLY HA3 H 45 4.387 4.081 0.306 1
1 497 . 6 1 1 A 45 45 GLY CA C 45 44.289 45.534 -1.245 1
1 498 . 6 1 1 A 45 45 GLY N N 45 103.528 106.546 -3.018 1
1 499 . 6 1 1 A 46 46 CYS H H 46 6.988 7.240 -0.252 1
1 500 . 6 1 1 A 46 46 CYS HA H 46 3.955 4.446 -0.491 1
1 503 . 6 1 1 A 46 46 CYS CA C 46 60.654 59.129 1.525 1
1 504 . 6 1 1 A 46 46 CYS CB C 46 29.793 28.212 1.581 1
1 505 . 6 1 1 A 46 46 CYS N N 46 123.656 120.207 3.449 1
1 506 . 6 1 1 A 47 47 LYS H H 47 9.060 8.999 0.061 1
1 507 . 6 1 1 A 47 47 LYS HA H 47 4.489 4.559 -0.070 1
1 516 . 6 1 1 A 47 47 LYS CA C 47 56.127 56.063 0.064 1
1 517 . 6 1 1 A 47 47 LYS CB C 47 32.393 33.494 -1.101 1
1 521 . 6 1 1 A 47 47 LYS N N 47 127.820 124.268 3.552 1
1 522 . 6 1 1 A 48 48 ARG H H 48 8.537 7.845 0.692 1
1 523 . 6 1 1 A 48 48 ARG HA H 48 4.330 4.444 -0.114 1
1 530 . 6 1 1 A 48 48 ARG CA C 48 57.648 56.627 1.021 1
1 531 . 6 1 1 A 48 48 ARG CB C 48 31.810 32.043 -0.233 1
1 534 . 6 1 1 A 48 48 ARG N N 48 122.615 116.937 5.678 1
1 535 . 6 1 1 A 49 49 LYS H H 49 8.522 7.964 0.558 1
1 536 . 6 1 1 A 49 49 LYS HA H 49 4.554 4.278 0.276 1
1 545 . 6 1 1 A 49 49 LYS CA C 49 57.417 56.614 0.803 1
1 546 . 6 1 1 A 49 49 LYS CB C 49 31.543 32.603 -1.060 1
1 550 . 6 1 1 A 49 49 LYS N N 49 117.583 119.487 -1.904 1
1 551 . 6 1 1 A 50 50 THR H H 50 7.992 8.849 -0.857 1
1 552 . 6 1 1 A 50 50 THR HA H 50 4.127 3.982 0.145 1
1 557 . 6 1 1 A 50 50 THR CA C 50 63.985 65.062 -1.077 1
1 558 . 6 1 1 A 50 50 THR CB C 50 68.157 68.464 -0.307 1
1 560 . 6 1 1 A 50 50 THR N N 50 113.245 113.260 -0.015 1
1 561 . 6 1 1 A 51 51 ASN H H 51 8.888 8.214 0.674 1
1 562 . 6 1 1 A 51 51 ASN HA H 51 4.665 4.488 0.177 1
1 567 . 6 1 1 A 51 51 ASN CA C 51 54.159 55.893 -1.734 1
1 568 . 6 1 1 A 51 51 ASN CB C 51 37.857 38.405 -0.548 1
1 570 . 6 1 1 A 52 52 GLY H H 52 7.972 7.674 0.298 1
1 571 . 6 1 1 A 52 52 GLY HA2 H 52 3.893 4.098 -0.205 1
1 572 . 6 1 1 A 52 52 GLY HA3 H 52 4.101 4.101 0.000 1
1 573 . 6 1 1 A 52 52 GLY CA C 52 45.368 45.583 -0.215 1
1 574 . 6 1 1 A 52 52 GLY N N 52 106.651 105.900 0.751 1
1 575 . 6 1 1 A 53 53 GLY H H 53 7.765 8.076 -0.311 1
1 576 . 6 1 1 A 53 53 GLY HA2 H 53 3.837 4.082 -0.245 1
1 577 . 6 1 1 A 53 53 GLY HA3 H 53 4.079 4.083 -0.004 1
1 578 . 6 1 1 A 53 53 GLY CA C 53 45.227 44.931 0.296 1
1 579 . 6 1 1 A 53 53 GLY N N 53 107.519 106.435 1.084 1
1 580 . 6 1 1 A 54 54 CYS H H 54 8.099 7.998 0.101 1
1 581 . 6 1 1 A 54 54 CYS HA H 54 4.720 4.587 0.133 1
1 584 . 6 1 1 A 54 54 CYS CA C 54 55.572 57.220 -1.648 1
1 585 . 6 1 1 A 54 54 CYS CB C 54 30.216 28.784 1.432 1
1 586 . 6 1 1 A 54 54 CYS N N 54 122.615 119.767 2.848 1
1 587 . 6 1 1 A 55 55 PRO HA H 55 4.237 4.462 -0.225 1
1 594 . 6 1 1 A 55 55 PRO CA C 55 64.757 64.247 0.510 1
1 595 . 6 1 1 A 55 55 PRO CB C 55 32.311 32.038 0.273 1
1 598 . 6 1 1 A 56 56 VAL H H 56 7.645 7.237 0.408 1
1 599 . 6 1 1 A 56 56 VAL HA H 56 3.384 3.757 -0.373 1
1 607 . 6 1 1 A 56 56 VAL CA C 56 66.184 66.045 0.139 1
1 608 . 6 1 1 A 56 56 VAL CB C 56 32.502 31.792 0.710 1
1 611 . 6 1 1 A 56 56 VAL N N 56 121.227 116.865 4.362 1
1 612 . 6 1 1 A 57 57 CYS H H 57 8.565 7.806 0.759 1
1 613 . 6 1 1 A 57 57 CYS HA H 57 4.034 4.018 0.016 1
1 616 . 6 1 1 A 57 57 CYS CA C 57 65.746 63.600 2.146 1
1 617 . 6 1 1 A 57 57 CYS CB C 57 29.273 27.125 2.148 1
1 618 . 6 1 1 A 57 57 CYS N N 57 122.615 117.740 4.875 1
1 619 . 6 1 1 A 58 58 LYS H H 58 7.956 7.762 0.194 1
1 620 . 6 1 1 A 58 58 LYS HA H 58 3.874 3.847 0.027 1
1 629 . 6 1 1 A 58 58 LYS CA C 58 59.955 59.285 0.670 1
1 630 . 6 1 1 A 58 58 LYS CB C 58 32.272 32.312 -0.040 1
1 634 . 6 1 1 A 58 58 LYS N N 58 116.889 121.244 -4.355 1
1 635 . 6 1 1 A 59 59 GLN H H 59 7.359 7.716 -0.357 1
1 636 . 6 1 1 A 59 59 GLN HA H 59 3.789 4.010 -0.221 1
1 643 . 6 1 1 A 59 59 GLN CA C 59 60.647 58.770 1.877 1
1 644 . 6 1 1 A 59 59 GLN CB C 59 27.196 28.242 -1.046 1
1 646 . 6 1 1 A 59 59 GLN N N 59 116.889 118.656 -1.767 1
1 648 . 6 1 1 A 60 60 LEU H H 60 8.303 7.477 0.826 1
1 649 . 6 1 1 A 60 60 LEU HA H 60 4.093 3.958 0.135 1
1 659 . 6 1 1 A 60 60 LEU CA C 60 58.110 57.996 0.114 1
1 660 . 6 1 1 A 60 60 LEU CB C 60 40.807 41.046 -0.239 1
1 664 . 6 1 1 A 60 60 LEU N N 60 118.103 119.148 -1.045 1
1 665 . 6 1 1 A 61 61 ILE H H 61 8.804 8.158 0.646 1
1 666 . 6 1 1 A 61 61 ILE HA H 61 3.801 3.444 0.357 1
1 676 . 6 1 1 A 61 61 ILE CA C 61 63.416 65.936 -2.520 1
1 677 . 6 1 1 A 61 61 ILE CB C 61 36.886 37.825 -0.939 1
1 681 . 6 1 1 A 61 61 ILE N N 61 118.624 119.807 -1.183 1
1 682 . 6 1 1 A 62 62 ALA H H 62 7.796 7.850 -0.054 1
1 683 . 6 1 1 A 62 62 ALA HA H 62 4.058 4.126 -0.068 1
1 687 . 6 1 1 A 62 62 ALA CA C 62 56.030 55.329 0.701 1
1 688 . 6 1 1 A 62 62 ALA CB C 62 18.068 18.236 -0.168 1
1 689 . 6 1 1 A 62 62 ALA N N 62 124.003 122.199 1.804 1
1 690 . 6 1 1 A 63 63 LEU H H 63 8.011 7.758 0.253 1
1 691 . 6 1 1 A 63 63 LEU HA H 63 4.077 4.092 -0.015 1
1 701 . 6 1 1 A 63 63 LEU CA C 63 58.110 57.857 0.253 1
1 702 . 6 1 1 A 63 63 LEU CB C 63 42.116 41.390 0.726 1
1 706 . 6 1 1 A 63 63 LEU N N 63 117.583 119.310 -1.727 1
1 707 . 6 1 1 A 64 64 CYS H H 64 8.818 8.791 0.027 1
1 708 . 6 1 1 A 64 64 CYS HA H 64 4.053 4.246 -0.193 1
1 711 . 6 1 1 A 64 64 CYS CA C 64 64.800 62.925 1.875 1
1 712 . 6 1 1 A 64 64 CYS CB C 64 26.504 26.758 -0.254 1
1 713 . 6 1 1 A 64 64 CYS N N 64 118.277 116.971 1.306 1
1 714 . 6 1 1 A 65 65 CYS H H 65 8.793 8.502 0.291 1
1 715 . 6 1 1 A 65 65 CYS HA H 65 4.258 4.151 0.107 1
1 718 . 6 1 1 A 65 65 CYS CA C 65 63.646 63.852 -0.206 1
1 719 . 6 1 1 A 65 65 CYS CB C 65 26.966 27.271 -0.305 1
1 720 . 6 1 1 A 65 65 CYS N N 65 118.971 119.320 -0.349 1
1 721 . 6 1 1 A 66 66 TYR H H 66 8.369 8.516 -0.147 1
1 722 . 6 1 1 A 66 66 TYR HA H 66 4.034 4.237 -0.203 1
1 729 . 6 1 1 A 66 66 TYR CA C 66 60.886 61.890 -1.004 1
1 730 . 6 1 1 A 66 66 TYR CB C 66 37.808 38.505 -0.697 1
1 733 . 6 1 1 A 66 66 TYR N N 66 121.574 122.640 -1.066 1
1 734 . 6 1 1 A 67 67 HIS H H 67 8.633 7.837 0.796 1
1 735 . 6 1 1 A 67 67 HIS HA H 67 4.318 4.278 0.040 1
1 740 . 6 1 1 A 67 67 HIS CA C 67 58.998 60.073 -1.075 1
1 741 . 6 1 1 A 67 67 HIS CB C 67 27.409 30.137 -2.728 1
1 744 . 6 1 1 A 67 67 HIS N N 67 117.409 118.917 -1.508 1
1 745 . 6 1 1 A 68 68 ALA H H 68 8.725 8.849 -0.124 1
1 746 . 6 1 1 A 68 68 ALA HA H 68 4.019 3.905 0.114 1
1 750 . 6 1 1 A 68 68 ALA CA C 68 54.690 55.271 -0.581 1
1 751 . 6 1 1 A 68 68 ALA CB C 68 19.964 18.432 1.532 1
1 752 . 6 1 1 A 68 68 ALA N N 68 122.094 120.899 1.195 1
1 753 . 6 1 1 A 69 69 LYS H H 69 7.362 8.012 -0.650 1
1 754 . 6 1 1 A 69 69 LYS HA H 69 3.736 3.948 -0.212 1
1 763 . 6 1 1 A 69 69 LYS CA C 69 58.137 58.793 -0.656 1
1 764 . 6 1 1 A 69 69 LYS CB C 69 32.224 31.925 0.299 1
1 768 . 6 1 1 A 69 69 LYS N N 69 114.807 117.819 -3.012 1
1 769 . 6 1 1 A 70 70 HIS H H 70 7.011 7.500 -0.489 1
1 770 . 6 1 1 A 70 70 HIS HA H 70 4.697 4.368 0.329 1
1 774 . 6 1 1 A 70 70 HIS CA C 70 54.835 57.951 -3.116 1
1 775 . 6 1 1 A 70 70 HIS CB C 70 30.477 30.811 -0.334 1
1 777 . 6 1 1 A 70 70 HIS N N 70 112.898 113.990 -1.092 1
1 778 . 6 1 1 A 71 71 CYS H H 71 7.012 7.435 -0.423 1
1 779 . 6 1 1 A 71 71 CYS HA H 71 4.032 4.235 -0.203 1
1 782 . 6 1 1 A 71 71 CYS CA C 71 59.948 59.964 -0.016 1
1 783 . 6 1 1 A 71 71 CYS CB C 71 29.752 27.920 1.832 1
1 784 . 6 1 1 A 71 71 CYS N N 71 123.829 117.649 6.180 1
1 785 . 6 1 1 A 72 72 GLN H H 72 9.181 8.802 0.379 1
1 786 . 6 1 1 A 72 72 GLN HA H 72 4.674 4.556 0.118 1
1 793 . 6 1 1 A 72 72 GLN CA C 72 54.224 55.556 -1.332 1
1 794 . 6 1 1 A 72 72 GLN CB C 72 29.049 30.523 -1.474 1
1 796 . 6 1 1 A 72 72 GLN N N 72 128.341 122.276 6.065 1
1 798 . 6 1 1 A 73 73 GLU H H 73 8.396 7.241 1.155 1
1 799 . 6 1 1 A 73 73 GLU HA H 73 4.389 4.327 0.062 1
1 804 . 6 1 1 A 73 73 GLU CA C 73 55.341 56.597 -1.256 1
1 805 . 6 1 1 A 73 73 GLU CB C 73 30.239 31.025 -0.786 1
1 807 . 6 1 1 A 73 73 GLU N N 73 123.309 122.480 0.829 1
1 808 . 6 1 1 A 74 74 ASN H H 74 8.921 9.093 -0.172 1
1 809 . 6 1 1 A 74 74 ASN HA H 74 4.538 4.997 -0.459 1
1 814 . 6 1 1 A 74 74 ASN CA C 74 54.666 53.596 1.070 1
1 815 . 6 1 1 A 74 74 ASN CB C 74 38.301 39.482 -1.181 1
1 816 . 6 1 1 A 74 74 ASN N N 74 124.870 122.570 2.300 1
1 818 . 6 1 1 A 75 75 LYS H H 75 8.847 7.845 1.002 1
1 819 . 6 1 1 A 75 75 LYS HA H 75 4.442 4.629 -0.187 1
1 828 . 6 1 1 A 75 75 LYS CA C 75 54.327 55.294 -0.967 1
1 829 . 6 1 1 A 75 75 LYS CB C 75 30.837 33.128 -2.291 1
1 833 . 6 1 1 A 75 75 LYS N N 75 121.574 116.934 4.640 1
1 834 . 6 1 1 A 76 76 CYS H H 76 7.191 7.358 -0.167 1
1 835 . 6 1 1 A 76 76 CYS HA H 76 4.389 4.417 -0.028 1
1 838 . 6 1 1 A 76 76 CYS CA C 76 57.270 57.661 -0.391 1
1 839 . 6 1 1 A 76 76 CYS CB C 76 30.613 28.284 2.329 1
1 840 . 6 1 1 A 76 76 CYS N N 76 124.350 121.601 2.749 1
1 841 . 6 1 1 A 77 77 PRO HA H 77 4.673 4.415 0.258 1
1 848 . 6 1 1 A 77 77 PRO CA C 77 62.878 64.528 -1.650 1
1 849 . 6 1 1 A 77 77 PRO CB C 77 31.950 32.028 -0.078 1
1 852 . 6 1 1 A 78 78 VAL H H 78 8.974 7.775 1.199 1
1 853 . 6 1 1 A 78 78 VAL HA H 78 4.187 4.213 -0.026 1
1 861 . 6 1 1 A 78 78 VAL CA C 78 61.637 60.965 0.672 1
1 862 . 6 1 1 A 78 78 VAL CB C 78 31.654 32.164 -0.510 1
1 865 . 6 1 1 A 78 78 VAL N N 78 128.688 119.548 9.140 1
1 866 . 6 1 1 A 79 79 PRO HA H 79 3.938 4.232 -0.294 1
1 873 . 6 1 1 A 79 79 PRO CA C 79 63.962 65.064 -1.102 1
1 874 . 6 1 1 A 79 79 PRO CB C 79 30.887 31.903 -1.016 1
1 877 . 6 1 1 A 80 80 PHE HA H 80 4.350 4.220 0.130 1
1 884 . 6 1 1 A 80 80 PHE CA C 80 59.032 60.371 -1.339 1
1 885 . 6 1 1 A 80 80 PHE CB C 80 37.686 37.806 -0.120 1
1 888 . 6 1 1 A 81 81 CYS H H 81 7.686 8.306 -0.620 1
1 889 . 6 1 1 A 81 81 CYS HA H 81 4.001 4.075 -0.074 1
1 892 . 6 1 1 A 81 81 CYS CA C 81 64.779 62.529 2.250 1
1 893 . 6 1 1 A 81 81 CYS CB C 81 29.524 26.459 3.065 1
1 894 . 6 1 1 A 81 81 CYS N N 81 124.176 118.568 5.608 1
1 895 . 6 1 1 A 82 82 LEU H H 82 8.267 8.288 -0.021 1
1 896 . 6 1 1 A 82 82 LEU HA H 82 4.010 3.718 0.292 1
1 906 . 6 1 1 A 82 82 LEU CA C 82 58.340 58.186 0.154 1
1 907 . 6 1 1 A 82 82 LEU CB C 82 40.862 41.677 -0.815 1
1 911 . 6 1 1 A 82 82 LEU N N 82 114.980 121.371 -6.391 1
1 912 . 6 1 1 A 83 83 ASN H H 83 7.917 8.399 -0.482 1
1 913 . 6 1 1 A 83 83 ASN HA H 83 4.490 4.661 -0.171 1
1 918 . 6 1 1 A 83 83 ASN CA C 83 56.061 56.687 -0.626 1
1 919 . 6 1 1 A 83 83 ASN CB C 83 38.494 38.498 -0.004 1
1 920 . 6 1 1 A 83 83 ASN N N 83 116.542 116.800 -0.258 1
1 922 . 6 1 1 A 84 84 ILE H H 84 8.788 8.251 0.537 1
1 923 . 6 1 1 A 84 84 ILE HA H 84 3.734 3.766 -0.032 1
1 933 . 6 1 1 A 84 84 ILE CA C 84 65.142 64.994 0.148 1
1 934 . 6 1 1 A 84 84 ILE CB C 84 38.039 37.938 0.101 1
1 938 . 6 1 1 A 84 84 ILE N N 84 121.747 120.379 1.368 1
1 939 . 6 1 1 A 85 85 LYS H H 85 8.954 8.383 0.571 1
1 940 . 6 1 1 A 85 85 LYS HA H 85 3.839 4.060 -0.221 1
1 949 . 6 1 1 A 85 85 LYS CA C 85 60.936 58.660 2.276 1
1 950 . 6 1 1 A 85 85 LYS CB C 85 32.041 31.934 0.107 1
1 954 . 6 1 1 A 85 85 LYS N N 85 119.665 120.435 -0.770 1
1 955 . 6 1 1 A 86 86 HIS H H 86 8.043 7.540 0.503 1
1 956 . 6 1 1 A 86 86 HIS HA H 86 4.411 4.342 0.069 1
1 960 . 6 1 1 A 86 86 HIS CA C 86 58.746 59.675 -0.929 1
1 961 . 6 1 1 A 86 86 HIS CB C 86 30.067 30.349 -0.282 1
1 963 . 6 1 1 A 86 86 HIS N N 86 116.542 119.034 -2.492 1
1 964 . 6 1 1 A 87 87 LYS H H 87 7.822 8.263 -0.441 1
1 965 . 6 1 1 A 87 87 LYS HA H 87 4.158 4.065 0.093 1
1 968 . 6 1 1 A 87 87 LYS CA C 87 57.879 58.939 -1.060 1
1 969 . 6 1 1 A 87 87 LYS N N 87 119.318 121.491 -2.173 1
1 970 . 6 1 1 A 88 88 LEU H H 88 8.405 8.275 0.130 1
1 971 . 6 1 1 A 88 88 LEU HA H 88 4.194 4.040 0.154 1
1 981 . 6 1 1 A 88 88 LEU CA C 88 56.289 57.671 -1.382 1
1 982 . 6 1 1 A 88 88 LEU CB C 88 41.692 41.469 0.223 1
1 986 . 6 1 1 A 88 88 LEU N N 88 119.144 119.615 -0.471 1
1 987 . 6 1 1 A 89 89 ARG H H 89 7.826 8.086 -0.260 1
1 988 . 6 1 1 A 89 89 ARG HA H 89 4.271 4.038 0.233 1
1 995 . 6 1 1 A 89 89 ARG CA C 89 56.666 56.868 -0.202 1
1 996 . 6 1 1 A 89 89 ARG CB C 89 29.965 27.958 2.007 1
1 999 . 6 1 1 A 89 89 ARG N N 89 118.450 118.487 -0.037 1
1 1000 . 6 1 1 A 90 90 GLN H H 90 7.935 8.343 -0.408 1
1 1001 . 6 1 1 A 90 90 GLN HA H 90 4.270 3.949 0.321 1
1 1008 . 6 1 1 A 90 90 GLN CA C 90 55.840 57.044 -1.204 1
1 1009 . 6 1 1 A 90 90 GLN CB C 90 28.989 26.231 2.758 1
1 1011 . 6 1 1 A 90 90 GLN N N 90 119.318 111.912 7.406 1
1 1013 . 6 1 1 A 91 91 GLN H H 91 8.141 8.507 -0.366 1
1 1014 . 6 1 1 A 91 91 GLN HA H 91 4.352 4.000 0.352 1
1 1021 . 6 1 1 A 91 91 GLN CA C 91 55.581 58.721 -3.140 1
1 1022 . 6 1 1 A 91 91 GLN CB C 91 29.284 28.083 1.201 1
1 1024 . 6 1 1 A 91 91 GLN N N 91 120.706 117.448 3.258 1
1 1043 . 6 2 2 B 2 2 SER CB C 707 63.646 61.769 1.877 1
1 1044 . 6 2 2 B 3 3 HIS HA H 708 4.663 5.292 -0.629 1
1 1047 . 6 2 2 B 3 3 HIS CA C 708 56.033 54.063 1.970 1
1 1048 . 6 2 2 B 3 3 HIS CB C 708 30.146 32.539 -2.393 1
1 1053 . 6 2 2 B 5 5 SER H H 710 8.437 8.743 -0.306 1
1 1054 . 6 2 2 B 5 5 SER HA H 710 4.429 4.854 -0.425 1
1 1057 . 6 2 2 B 5 5 SER CA C 710 58.340 57.257 1.083 1
1 1058 . 6 2 2 B 5 5 SER CB C 710 63.416 66.163 -2.747 1
1 1059 . 6 2 2 B 5 5 SER N N 710 117.160 113.745 3.415 1
1 1060 . 6 2 2 B 6 6 GLU H H 711 8.458 8.910 -0.452 1
1 1061 . 6 2 2 B 6 6 GLU HA H 711 4.311 4.272 0.039 1
1 1066 . 6 2 2 B 6 6 GLU CA C 711 56.033 56.480 -0.447 1
1 1067 . 6 2 2 B 6 6 GLU CB C 711 30.223 28.805 1.418 1
1 1069 . 6 2 2 B 6 6 GLU N N 711 123.053 119.287 3.766 1
1 1070 . 6 2 2 B 7 7 VAL H H 712 8.150 7.945 0.205 1
1 1071 . 6 2 2 B 7 7 VAL HA H 712 4.050 3.983 0.067 1
1 1079 . 6 2 2 B 7 7 VAL CA C 712 61.801 64.135 -2.334 1
1 1080 . 6 2 2 B 7 7 VAL CB C 712 32.041 31.748 0.293 1
1 1083 . 6 2 2 B 7 7 VAL N N 712 121.173 119.720 1.453 1
1 1084 . 6 2 2 B 8 8 HIS H H 713 8.495 7.727 0.768 1
1 1085 . 6 2 2 B 8 8 HIS HA H 713 4.914 4.814 0.100 1
1 1089 . 6 2 2 B 8 8 HIS CA C 713 53.945 54.412 -0.467 1
1 1090 . 6 2 2 B 8 8 HIS CB C 713 30.218 33.818 -3.600 1
1 1092 . 6 2 2 B 8 8 HIS N N 713 125.310 120.380 4.930 1
1 1093 . 6 2 2 B 9 9 PRO HA H 714 4.430 4.102 0.328 1
1 1100 . 6 2 2 B 9 9 PRO CA C 714 63.409 65.895 -2.486 1
1 1101 . 6 2 2 B 9 9 PRO CB C 714 32.018 31.441 0.577 1
1 1104 . 6 2 2 B 10 10 SER H H 715 8.889 7.796 1.093 1
1 1105 . 6 2 2 B 10 10 SER HA H 715 4.437 4.308 0.129 1
1 1108 . 6 2 2 B 10 10 SER CA C 715 58.571 60.360 -1.789 1
1 1109 . 6 2 2 B 10 10 SER CB C 715 63.213 61.616 1.597 1
1 1110 . 6 2 2 B 10 10 SER N N 715 116.533 110.855 5.678 1
1 1111 . 6 2 2 B 11 11 ARG H H 716 8.442 7.631 0.811 1
1 1112 . 6 2 2 B 11 11 ARG HA H 716 4.388 4.880 -0.492 1
1 1119 . 6 2 2 B 11 11 ARG CA C 716 55.882 53.674 2.208 1
1 1120 . 6 2 2 B 11 11 ARG CB C 716 30.395 33.424 -3.029 1
1 1123 . 6 2 2 B 11 11 ARG N N 716 122.803 120.486 2.317 1
1 1124 . 6 2 2 B 12 12 LEU H H 717 8.133 8.775 -0.642 1
1 1125 . 6 2 2 B 12 12 LEU HA H 717 4.356 4.264 0.092 1
1 1135 . 6 2 2 B 12 12 LEU CA C 717 54.880 55.275 -0.395 1
1 1136 . 6 2 2 B 12 12 LEU CB C 717 42.081 42.262 -0.181 1
1 1140 . 6 2 2 B 12 12 LEU N N 717 122.552 122.356 0.196 1
1 1141 . 6 2 2 B 13 13 GLN H H 718 8.440 8.724 -0.284 1
1 1142 . 6 2 2 B 13 13 GLN HA H 718 4.454 4.728 -0.274 1
1 1149 . 6 2 2 B 13 13 GLN CA C 718 55.341 55.232 0.109 1
1 1150 . 6 2 2 B 13 13 GLN CB C 718 29.285 29.650 -0.365 1
1 1152 . 6 2 2 B 13 13 GLN N N 718 121.298 117.632 3.666 1
1 1154 . 6 2 2 B 14 14 THR H H 719 8.257 7.790 0.467 1
1 1155 . 6 2 2 B 14 14 THR HA H 719 4.438 4.587 -0.149 1
1 1160 . 6 2 2 B 14 14 THR CA C 719 61.339 60.142 1.197 1
1 1161 . 6 2 2 B 14 14 THR CB C 719 69.456 70.286 -0.830 1
1 1163 . 6 2 2 B 14 14 THR N N 719 115.154 113.180 1.974 1
1 1164 . 6 2 2 B 15 15 THR H H 720 8.240 8.498 -0.258 1
1 1165 . 6 2 2 B 15 15 THR HA H 720 4.275 4.389 -0.114 1
1 1170 . 6 2 2 B 15 15 THR CA C 720 61.967 64.358 -2.391 1
1 1171 . 6 2 2 B 15 15 THR CB C 720 69.183 67.121 2.062 1
1 1173 . 6 2 2 B 15 15 THR N N 720 115.029 118.389 -3.360 1
1 1174 . 6 2 2 B 16 16 ASP H H 721 8.293 8.453 -0.160 1
1 1175 . 6 2 2 B 16 16 ASP HA H 721 4.494 4.457 0.037 1
1 1178 . 6 2 2 B 16 16 ASP CA C 721 54.880 55.282 -0.402 1
1 1179 . 6 2 2 B 16 16 ASP CB C 721 40.891 39.541 1.350 1
1 1180 . 6 2 2 B 16 16 ASP N N 721 122.427 123.198 -0.771 1
1 1181 . 6 2 2 B 17 17 ASN H H 722 8.272 7.901 0.371 1
1 1182 . 6 2 2 B 17 17 ASN HA H 722 4.577 4.931 -0.354 1
1 1187 . 6 2 2 B 17 17 ASN CA C 722 53.330 53.044 0.286 1
1 1188 . 6 2 2 B 17 17 ASN CB C 722 38.332 39.779 -1.447 1
1 1189 . 6 2 2 B 17 17 ASN N N 722 118.916 117.246 1.670 1
1 1191 . 6 2 2 B 18 18 LEU H H 723 8.204 7.733 0.471 1
1 1192 . 6 2 2 B 18 18 LEU HA H 723 4.191 4.206 -0.015 1
1 1202 . 6 2 2 B 18 18 LEU CA C 723 54.200 57.170 -2.970 1
1 1203 . 6 2 2 B 18 18 LEU CB C 723 43.545 41.459 2.086 1
1 1207 . 6 2 2 B 18 18 LEU N N 723 121.173 119.065 2.108 1
1 1208 . 6 2 2 B 19 19 LEU H H 724 7.416 7.459 -0.043 1
1 1209 . 6 2 2 B 19 19 LEU HA H 724 4.273 4.326 -0.053 1
1 1219 . 6 2 2 B 19 19 LEU CA C 724 52.415 53.890 -1.475 1
1 1220 . 6 2 2 B 19 19 LEU CB C 724 40.471 42.197 -1.726 1
1 1224 . 6 2 2 B 19 19 LEU N N 724 117.286 121.301 -4.015 1
1 1225 . 6 2 2 B 20 20 PRO HA H 725 4.271 4.511 -0.240 1
1 1232 . 6 2 2 B 20 20 PRO CA C 725 63.877 64.069 -0.192 1
1 1233 . 6 2 2 B 20 20 PRO CB C 725 32.716 32.014 0.702 1
1 1236 . 6 2 2 B 21 21 MET H H 726 8.932 7.534 1.398 1
1 1237 . 6 2 2 B 21 21 MET HA H 726 4.841 4.848 -0.007 1
1 1245 . 6 2 2 B 21 21 MET CA C 726 54.199 54.376 -0.177 1
1 1246 . 6 2 2 B 21 21 MET CB C 726 36.939 35.777 1.162 1
1 1249 . 6 2 2 B 21 21 MET N N 726 116.784 119.244 -2.460 1
1 1250 . 6 2 2 B 22 22 SER H H 727 8.956 8.818 0.138 1
1 1251 . 6 2 2 B 22 22 SER HA H 727 4.771 5.043 -0.272 1
1 1254 . 6 2 2 B 22 22 SER CA C 727 56.255 56.441 -0.186 1
1 1255 . 6 2 2 B 22 22 SER CB C 727 62.528 63.648 -1.120 1
1 1256 . 6 2 2 B 22 22 SER N N 727 119.167 116.637 2.530 1
1 1257 . 6 2 2 B 23 23 PRO HA H 728 4.312 4.279 0.033 1
1 1264 . 6 2 2 B 23 23 PRO CA C 728 65.953 65.718 0.235 1
1 1265 . 6 2 2 B 23 23 PRO CB C 728 31.810 31.802 0.008 1
1 1268 . 6 2 2 B 24 24 GLU H H 729 8.877 8.444 0.433 1
1 1269 . 6 2 2 B 24 24 GLU HA H 729 4.163 4.052 0.111 1
1 1274 . 6 2 2 B 24 24 GLU CA C 729 59.748 59.643 0.105 1
1 1275 . 6 2 2 B 24 24 GLU CB C 729 28.819 29.026 -0.207 1
1 1277 . 6 2 2 B 24 24 GLU N N 729 116.283 117.261 -0.978 1
1 1278 . 6 2 2 B 25 25 GLU H H 730 7.789 7.636 0.153 1
1 1279 . 6 2 2 B 25 25 GLU HA H 730 3.787 4.090 -0.303 1
1 1284 . 6 2 2 B 25 25 GLU CA C 730 59.266 58.884 0.382 1
1 1285 . 6 2 2 B 25 25 GLU CB C 730 29.501 29.859 -0.358 1
1 1287 . 6 2 2 B 25 25 GLU N N 730 121.298 119.759 1.539 1
1 1288 . 6 2 2 B 26 26 PHE H H 731 8.730 8.507 0.223 1
1 1289 . 6 2 2 B 26 26 PHE HA H 731 4.364 4.165 0.199 1
1 1296 . 6 2 2 B 26 26 PHE CA C 731 59.724 61.471 -1.747 1
1 1297 . 6 2 2 B 26 26 PHE CB C 731 38.230 39.530 -1.300 1
1 1300 . 6 2 2 B 26 26 PHE N N 731 119.543 121.628 -2.085 1
1 1301 . 6 2 2 B 27 27 ASP H H 732 8.587 8.414 0.173 1
1 1302 . 6 2 2 B 27 27 ASP HA H 732 4.097 4.307 -0.210 1
1 1305 . 6 2 2 B 27 27 ASP CA C 732 57.256 57.823 -0.567 1
1 1306 . 6 2 2 B 27 27 ASP CB C 732 40.421 41.560 -1.139 1
1 1307 . 6 2 2 B 27 27 ASP N N 732 121.549 118.754 2.795 1
1 1308 . 6 2 2 B 28 28 GLU H H 733 7.383 7.766 -0.383 1
1 1309 . 6 2 2 B 28 28 GLU HA H 733 4.155 4.100 0.055 1
1 1314 . 6 2 2 B 28 28 GLU CA C 733 58.749 58.811 -0.062 1
1 1315 . 6 2 2 B 28 28 GLU CB C 733 28.933 29.293 -0.360 1
1 1317 . 6 2 2 B 28 28 GLU N N 733 119.793 119.672 0.121 1
1 1318 . 6 2 2 B 29 29 VAL H H 734 8.246 7.752 0.494 1
1 1319 . 6 2 2 B 29 29 VAL HA H 734 3.595 3.456 0.139 1
1 1327 . 6 2 2 B 29 29 VAL CA C 734 66.219 66.204 0.015 1
1 1328 . 6 2 2 B 29 29 VAL CB C 734 31.362 31.507 -0.145 1
1 1331 . 6 2 2 B 29 29 VAL N N 734 118.540 121.075 -2.535 1
1 1332 . 6 2 2 B 30 30 SER H H 735 8.384 8.303 0.081 1
1 1333 . 6 2 2 B 30 30 SER HA H 735 3.912 3.783 0.129 1
1 1336 . 6 2 2 B 30 30 SER CA C 735 61.703 62.358 -0.655 1
1 1337 . 6 2 2 B 30 30 SER CB C 735 62.059 62.542 -0.483 1
1 1338 . 6 2 2 B 30 30 SER N N 735 115.154 114.782 0.372 1
1 1339 . 6 2 2 B 31 31 ARG H H 736 7.683 7.976 -0.293 1
1 1340 . 6 2 2 B 31 31 ARG HA H 736 4.027 4.067 -0.040 1
1 1348 . 6 2 2 B 31 31 ARG CA C 736 58.571 58.466 0.105 1
1 1349 . 6 2 2 B 31 31 ARG CB C 736 30.068 29.825 0.243 1
1 1352 . 6 2 2 B 31 31 ARG N N 736 121.549 120.942 0.607 1
1 1354 . 6 2 2 B 32 32 ILE H H 737 7.703 7.200 0.503 1
1 1355 . 6 2 2 B 32 32 ILE HA H 737 3.859 3.883 -0.024 1
1 1365 . 6 2 2 B 32 32 ILE CA C 737 63.445 63.891 -0.446 1
1 1366 . 6 2 2 B 32 32 ILE CB C 737 38.332 38.032 0.300 1
1 1370 . 6 2 2 B 32 32 ILE N N 737 119.167 119.928 -0.761 1
1 1371 . 6 2 2 B 33 33 VAL H H 738 8.293 7.812 0.481 1
1 1372 . 6 2 2 B 33 33 VAL HA H 738 3.901 3.598 0.303 1
1 1380 . 6 2 2 B 33 33 VAL CA C 738 63.805 65.605 -1.800 1
1 1381 . 6 2 2 B 33 33 VAL CB C 738 32.408 31.519 0.889 1
1 1384 . 6 2 2 B 33 33 VAL N N 738 116.157 119.930 -3.773 1
1 1385 . 6 2 2 B 34 34 GLY H H 739 7.868 7.958 -0.090 1
1 1386 . 6 2 2 B 34 34 GLY HA2 H 739 3.813 3.784 0.029 1
1 1387 . 6 2 2 B 34 34 GLY HA3 H 739 4.120 3.810 0.310 1
1 1388 . 6 2 2 B 34 34 GLY CA C 739 44.831 46.743 -1.912 1
1 1389 . 6 2 2 B 34 34 GLY N N 739 108.258 110.670 -2.412 1
1 1390 . 6 2 2 B 35 35 SER H H 740 8.366 8.101 0.265 1
1 1391 . 6 2 2 B 35 35 SER HA H 740 4.389 3.931 0.458 1
1 1394 . 6 2 2 B 35 35 SER CA C 740 58.261 59.068 -0.807 1
1 1395 . 6 2 2 B 35 35 SER CB C 740 62.663 61.856 0.807 1
1 1396 . 6 2 2 B 35 35 SER N N 740 116.408 108.003 8.405 1
1 1397 . 6 2 2 B 36 36 VAL H H 741 7.897 7.507 0.390 1
1 1398 . 6 2 2 B 36 36 VAL HA H 741 4.054 3.720 0.334 1
1 1406 . 6 2 2 B 36 36 VAL CA C 741 61.737 65.797 -4.060 1
1 1407 . 6 2 2 B 36 36 VAL CB C 741 33.084 32.053 1.031 1
1 1410 . 6 2 2 B 36 36 VAL N N 741 122.928 119.831 3.097 1
1 1411 . 6 2 2 B 37 37 GLU H H 742 8.468 7.926 0.542 1
1 1412 . 6 2 2 B 37 37 GLU HA H 742 4.306 4.628 -0.322 1
1 1417 . 6 2 2 B 37 37 GLU CA C 742 55.803 56.183 -0.380 1
1 1418 . 6 2 2 B 37 37 GLU CB C 742 29.029 31.186 -2.157 1
1 1420 . 6 2 2 B 37 37 GLU N N 742 124.057 119.157 4.900 1
1 1421 . 6 2 2 B 38 38 PHE H H 743 8.222 8.017 0.205 1
1 1422 . 6 2 2 B 38 38 PHE HA H 743 4.360 4.065 0.295 1
1 1429 . 6 2 2 B 38 38 PHE CA C 743 59.263 61.570 -2.307 1
1 1430 . 6 2 2 B 38 38 PHE CB C 743 39.524 39.367 0.157 1
1 1433 . 6 2 2 B 38 38 PHE N N 743 122.427 121.866 0.561 1
1 1434 . 6 2 2 B 39 39 ASP H H 744 8.602 8.791 -0.189 1
1 1435 . 6 2 2 B 39 39 ASP HA H 744 4.380 4.396 -0.016 1
1 1438 . 6 2 2 B 39 39 ASP CA C 744 56.495 54.864 1.631 1
1 1439 . 6 2 2 B 39 39 ASP CB C 744 40.119 39.197 0.922 1
1 1440 . 6 2 2 B 39 39 ASP N N 744 120.044 116.876 3.168 1
1 1441 . 6 2 2 B 40 40 SER H H 745 8.143 7.878 0.265 1
1 1442 . 6 2 2 B 40 40 SER HA H 745 4.328 4.801 -0.473 1
1 1445 . 6 2 2 B 40 40 SER CA C 745 59.724 57.171 2.553 1
1 1446 . 6 2 2 B 40 40 SER CB C 745 62.723 64.476 -1.753 1
1 1447 . 6 2 2 B 40 40 SER N N 745 114.527 114.847 -0.320 1
1 1448 . 6 2 2 B 41 41 MET H H 746 7.930 7.387 0.543 1
1 1449 . 6 2 2 B 41 41 MET HA H 746 4.374 4.209 0.165 1
1 1457 . 6 2 2 B 41 41 MET CA C 746 56.244 57.876 -1.632 1
1 1458 . 6 2 2 B 41 41 MET CB C 746 32.502 31.555 0.947 1
1 1461 . 6 2 2 B 41 41 MET N N 746 120.044 121.318 -1.274 1
1 1462 . 6 2 2 B 42 42 MET H H 747 7.784 7.908 -0.124 1
1 1463 . 6 2 2 B 42 42 MET HA H 747 4.232 4.395 -0.163 1
1 1471 . 6 2 2 B 42 42 MET CA C 747 55.830 55.735 0.095 1
1 1472 . 6 2 2 B 42 42 MET CB C 747 32.502 31.603 0.899 1
1 1475 . 6 2 2 B 42 42 MET N N 747 117.035 118.103 -1.068 1
1 1476 . 6 2 2 B 43 43 ASN H H 748 7.960 8.025 -0.065 1
1 1477 . 6 2 2 B 43 43 ASN HA H 748 4.831 4.923 -0.092 1
1 1482 . 6 2 2 B 43 43 ASN CA C 748 53.146 52.330 0.816 1
1 1483 . 6 2 2 B 43 43 ASN CB C 748 38.795 39.032 -0.237 1
1 1484 . 6 2 2 B 43 43 ASN N N 748 117.537 118.375 -0.838 1
1 1486 . 6 2 2 B 44 44 THR H H 749 8.039 7.710 0.329 1
1 1487 . 6 2 2 B 44 44 THR HA H 749 4.432 3.972 0.460 1
1 1492 . 6 2 2 B 44 44 THR CA C 749 61.570 66.867 -5.297 1
1 1493 . 6 2 2 B 44 44 THR CB C 749 69.644 68.442 1.202 1
1 1495 . 6 2 2 B 44 44 THR N N 749 114.026 114.633 -0.607 1
1 6 . 7 1 1 A 2 2 PRO HA H 2 4.396 4.302 0.094 1
1 13 . 7 1 1 A 2 2 PRO CA C 2 65.107 65.981 -0.874 1
1 14 . 7 1 1 A 2 2 PRO CB C 2 31.810 31.340 0.470 1
1 17 . 7 1 1 A 3 3 GLN H H 3 8.509 8.451 0.058 1
1 18 . 7 1 1 A 3 3 GLN HA H 3 3.962 4.172 -0.210 1
1 25 . 7 1 1 A 3 3 GLN CA C 3 59.223 57.658 1.565 1
1 26 . 7 1 1 A 3 3 GLN CB C 3 28.119 28.650 -0.531 1
1 28 . 7 1 1 A 3 3 GLN N N 3 117.064 117.849 -0.785 1
1 30 . 7 1 1 A 4 4 GLU H H 4 7.950 8.375 -0.425 1
1 31 . 7 1 1 A 4 4 GLU HA H 4 4.105 4.041 0.064 1
1 36 . 7 1 1 A 4 4 GLU CA C 4 58.778 59.367 -0.589 1
1 37 . 7 1 1 A 4 4 GLU CB C 4 29.734 29.246 0.488 1
1 39 . 7 1 1 A 4 4 GLU N N 4 121.574 121.212 0.362 1
1 40 . 7 1 1 A 5 5 SER H H 5 8.511 8.012 0.499 1
1 41 . 7 1 1 A 5 5 SER HA H 5 4.238 4.064 0.174 1
1 44 . 7 1 1 A 5 5 SER CA C 5 61.377 61.498 -0.121 1
1 45 . 7 1 1 A 5 5 SER CB C 5 62.351 62.952 -0.601 1
1 46 . 7 1 1 A 5 5 SER N N 5 115.674 115.830 -0.156 1
1 47 . 7 1 1 A 6 6 ARG H H 6 8.276 7.745 0.531 1
1 48 . 7 1 1 A 6 6 ARG HA H 6 4.324 4.169 0.155 1
1 55 . 7 1 1 A 6 6 ARG CA C 6 58.988 59.358 -0.370 1
1 56 . 7 1 1 A 6 6 ARG CB C 6 30.426 30.317 0.109 1
1 59 . 7 1 1 A 6 6 ARG N N 6 122.441 121.887 0.554 1
1 60 . 7 1 1 A 7 7 ARG H H 7 8.015 7.746 0.269 1
1 61 . 7 1 1 A 7 7 ARG HA H 7 3.955 4.104 -0.149 1
1 68 . 7 1 1 A 7 7 ARG CA C 7 59.724 58.975 0.749 1
1 69 . 7 1 1 A 7 7 ARG CB C 7 29.965 29.983 -0.018 1
1 72 . 7 1 1 A 7 7 ARG N N 7 119.491 119.556 -0.065 1
1 73 . 7 1 1 A 8 8 LEU H H 8 8.158 8.485 -0.327 1
1 74 . 7 1 1 A 8 8 LEU HA H 8 4.161 4.078 0.083 1
1 84 . 7 1 1 A 8 8 LEU CA C 8 57.686 57.685 0.001 1
1 85 . 7 1 1 A 8 8 LEU CB C 8 41.312 41.355 -0.043 1
1 89 . 7 1 1 A 8 8 LEU N N 8 120.359 119.974 0.385 1
1 90 . 7 1 1 A 9 9 SER H H 9 8.090 7.890 0.200 1
1 91 . 7 1 1 A 9 9 SER HA H 9 4.292 4.091 0.201 1
1 94 . 7 1 1 A 9 9 SER CA C 9 61.570 62.510 -0.940 1
1 95 . 7 1 1 A 9 9 SER CB C 9 62.493 62.982 -0.489 1
1 96 . 7 1 1 A 9 9 SER N N 9 116.178 114.557 1.621 1
1 97 . 7 1 1 A 10 10 ILE H H 10 8.396 8.039 0.357 1
1 98 . 7 1 1 A 10 10 ILE HA H 10 3.505 3.520 -0.015 1
1 108 . 7 1 1 A 10 10 ILE CA C 10 65.608 65.019 0.589 1
1 109 . 7 1 1 A 10 10 ILE CB C 10 37.706 37.215 0.491 1
1 113 . 7 1 1 A 10 10 ILE N N 10 122.840 121.350 1.490 1
1 114 . 7 1 1 A 11 11 GLN H H 11 8.142 7.869 0.273 1
1 115 . 7 1 1 A 11 11 GLN HA H 11 4.032 4.027 0.005 1
1 122 . 7 1 1 A 11 11 GLN CA C 11 59.060 59.268 -0.208 1
1 123 . 7 1 1 A 11 11 GLN CB C 11 27.888 28.392 -0.504 1
1 125 . 7 1 1 A 11 11 GLN N N 11 119.144 118.784 0.360 1
1 127 . 7 1 1 A 12 12 ARG H H 12 8.330 7.720 0.610 1
1 128 . 7 1 1 A 12 12 ARG HA H 12 4.179 4.051 0.128 1
1 135 . 7 1 1 A 12 12 ARG CA C 12 59.494 59.372 0.122 1
1 136 . 7 1 1 A 12 12 ARG CB C 12 29.734 30.027 -0.293 1
1 138 . 7 1 1 A 12 12 ARG N N 12 120.186 119.301 0.885 1
1 139 . 7 1 1 A 13 13 CYS H H 13 8.242 7.765 0.477 1
1 140 . 7 1 1 A 13 13 CYS HA H 13 4.231 4.104 0.127 1
1 143 . 7 1 1 A 13 13 CYS CA C 13 63.289 63.876 -0.587 1
1 144 . 7 1 1 A 13 13 CYS CB C 13 26.505 27.128 -0.623 1
1 145 . 7 1 1 A 13 13 CYS N N 13 121.574 120.100 1.474 1
1 146 . 7 1 1 A 14 14 ILE H H 14 8.493 8.483 0.010 1
1 147 . 7 1 1 A 14 14 ILE HA H 14 3.787 3.576 0.211 1
1 157 . 7 1 1 A 14 14 ILE CA C 14 64.269 65.343 -1.074 1
1 158 . 7 1 1 A 14 14 ILE CB C 14 36.597 37.824 -1.227 1
1 162 . 7 1 1 A 14 14 ILE N N 14 120.012 119.600 0.412 1
1 163 . 7 1 1 A 15 15 GLN H H 15 8.468 8.305 0.163 1
1 164 . 7 1 1 A 15 15 GLN HA H 15 4.107 4.033 0.074 1
1 171 . 7 1 1 A 15 15 GLN CA C 15 58.969 59.069 -0.100 1
1 172 . 7 1 1 A 15 15 GLN CB C 15 27.843 28.479 -0.636 1
1 174 . 7 1 1 A 15 15 GLN N N 15 119.665 118.798 0.867 1
1 176 . 7 1 1 A 16 16 SER H H 16 8.409 8.088 0.321 1
1 177 . 7 1 1 A 16 16 SER HA H 16 4.424 4.104 0.320 1
1 180 . 7 1 1 A 16 16 SER CA C 16 61.726 62.532 -0.806 1
1 181 . 7 1 1 A 16 16 SER CB C 16 62.564 62.992 -0.428 1
1 182 . 7 1 1 A 16 16 SER N N 16 117.062 116.225 0.837 1
1 183 . 7 1 1 A 17 17 LEU H H 17 8.235 8.062 0.173 1
1 184 . 7 1 1 A 17 17 LEU HA H 17 4.103 4.099 0.004 1
1 194 . 7 1 1 A 17 17 LEU CA C 17 58.340 57.850 0.490 1
1 195 . 7 1 1 A 17 17 LEU CB C 17 41.961 41.678 0.283 1
1 199 . 7 1 1 A 17 17 LEU N N 17 125.564 122.871 2.693 1
1 200 . 7 1 1 A 18 18 VAL H H 18 8.603 8.332 0.271 1
1 201 . 7 1 1 A 18 18 VAL HA H 18 3.261 3.562 -0.301 1
1 209 . 7 1 1 A 18 18 VAL CA C 18 67.097 66.512 0.585 1
1 210 . 7 1 1 A 18 18 VAL CB C 18 31.589 31.518 0.071 1
1 213 . 7 1 1 A 18 18 VAL N N 18 119.665 118.863 0.802 1
1 214 . 7 1 1 A 19 19 HIS H H 19 8.083 8.281 -0.198 1
1 215 . 7 1 1 A 19 19 HIS HA H 19 4.231 4.186 0.045 1
1 219 . 7 1 1 A 19 19 HIS CA C 19 59.641 60.183 -0.542 1
1 220 . 7 1 1 A 19 19 HIS CB C 19 26.966 29.669 -2.703 1
1 222 . 7 1 1 A 19 19 HIS N N 19 116.094 119.331 -3.237 1
1 223 . 7 1 1 A 20 20 ALA H H 20 8.796 8.355 0.441 1
1 224 . 7 1 1 A 20 20 ALA HA H 20 4.308 3.981 0.327 1
1 228 . 7 1 1 A 20 20 ALA CA C 20 55.341 55.197 0.144 1
1 229 . 7 1 1 A 20 20 ALA CB C 20 20.026 18.291 1.735 1
1 230 . 7 1 1 A 20 20 ALA N N 20 121.747 120.410 1.337 1
1 231 . 7 1 1 A 21 21 CYS H H 21 7.909 7.933 -0.024 1
1 232 . 7 1 1 A 21 21 CYS HA H 21 4.294 4.227 0.067 1
1 235 . 7 1 1 A 21 21 CYS CA C 21 61.665 61.163 0.502 1
1 236 . 7 1 1 A 21 21 CYS CB C 21 26.764 26.985 -0.221 1
1 237 . 7 1 1 A 21 21 CYS N N 21 111.875 115.709 -3.834 1
1 238 . 7 1 1 A 22 22 GLN H H 22 7.357 7.776 -0.419 1
1 239 . 7 1 1 A 22 22 GLN HA H 22 4.531 4.401 0.130 1
1 246 . 7 1 1 A 22 22 GLN CA C 22 54.445 55.701 -1.256 1
1 247 . 7 1 1 A 22 22 GLN CB C 22 30.608 30.652 -0.044 1
1 249 . 7 1 1 A 22 22 GLN N N 22 116.021 117.296 -1.275 1
1 251 . 7 1 1 A 23 23 CYS H H 23 7.229 7.395 -0.166 1
1 252 . 7 1 1 A 23 23 CYS HA H 23 3.947 4.311 -0.364 1
1 255 . 7 1 1 A 23 23 CYS CA C 23 59.996 59.357 0.639 1
1 256 . 7 1 1 A 23 23 CYS CB C 23 29.000 28.636 0.364 1
1 257 . 7 1 1 A 23 23 CYS N N 23 124.350 119.050 5.300 1
1 258 . 7 1 1 A 24 24 ARG H H 24 8.966 8.688 0.278 1
1 259 . 7 1 1 A 24 24 ARG HA H 24 4.590 4.608 -0.018 1
1 266 . 7 1 1 A 24 24 ARG CA C 24 54.306 55.922 -1.616 1
1 267 . 7 1 1 A 24 24 ARG CB C 24 29.771 32.341 -2.570 1
1 270 . 7 1 1 A 24 24 ARG N N 24 129.729 122.726 7.003 1
1 271 . 7 1 1 A 25 25 ASN H H 25 7.823 7.143 0.680 1
1 272 . 7 1 1 A 25 25 ASN HA H 25 4.853 4.629 0.224 1
1 277 . 7 1 1 A 25 25 ASN CA C 25 51.372 53.716 -2.344 1
1 278 . 7 1 1 A 25 25 ASN CB C 25 38.727 39.090 -0.363 1
1 279 . 7 1 1 A 25 25 ASN N N 25 120.186 118.764 1.422 1
1 281 . 7 1 1 A 26 26 ALA H H 26 9.248 8.891 0.357 1
1 282 . 7 1 1 A 26 26 ALA HA H 26 4.091 4.086 0.005 1
1 286 . 7 1 1 A 26 26 ALA CA C 26 54.027 54.583 -0.556 1
1 287 . 7 1 1 A 26 26 ALA CB C 26 18.209 18.537 -0.328 1
1 288 . 7 1 1 A 26 26 ALA N N 26 130.423 125.805 4.618 1
1 289 . 7 1 1 A 27 27 ASN H H 27 8.085 7.942 0.143 1
1 290 . 7 1 1 A 27 27 ASN HA H 27 4.834 4.996 -0.162 1
1 295 . 7 1 1 A 27 27 ASN CA C 27 51.625 52.153 -0.528 1
1 296 . 7 1 1 A 27 27 ASN CB C 27 38.577 39.391 -0.814 1
1 297 . 7 1 1 A 27 27 ASN N N 27 113.766 115.614 -1.848 1
1 299 . 7 1 1 A 28 28 CYS H H 28 7.209 7.693 -0.484 1
1 300 . 7 1 1 A 28 28 CYS HA H 28 4.053 4.309 -0.256 1
1 303 . 7 1 1 A 28 28 CYS CA C 28 61.312 59.753 1.559 1
1 304 . 7 1 1 A 28 28 CYS CB C 28 29.674 28.964 0.710 1
1 305 . 7 1 1 A 28 28 CYS N N 28 123.309 120.779 2.530 1
1 306 . 7 1 1 A 29 29 SER H H 29 8.922 8.644 0.278 1
1 307 . 7 1 1 A 29 29 SER HA H 29 4.609 4.224 0.385 1
1 310 . 7 1 1 A 29 29 SER CA C 29 57.450 60.550 -3.100 1
1 311 . 7 1 1 A 29 29 SER CB C 29 63.604 62.800 0.804 1
1 312 . 7 1 1 A 29 29 SER N N 29 124.870 119.651 5.219 1
1 313 . 7 1 1 A 30 30 LEU H H 30 8.513 7.581 0.932 1
1 314 . 7 1 1 A 30 30 LEU HA H 30 4.497 4.401 0.096 1
1 324 . 7 1 1 A 30 30 LEU CA C 30 53.980 52.766 1.214 1
1 325 . 7 1 1 A 30 30 LEU CB C 30 40.643 41.592 -0.949 1
1 329 . 7 1 1 A 30 30 LEU N N 30 128.341 125.061 3.280 1
1 330 . 7 1 1 A 31 31 PRO HA H 31 4.329 4.263 0.066 1
1 337 . 7 1 1 A 31 31 PRO CA C 31 65.026 64.925 0.101 1
1 338 . 7 1 1 A 31 31 PRO CB C 31 31.580 31.975 -0.395 1
1 341 . 7 1 1 A 32 32 SER H H 32 8.537 8.082 0.455 1
1 342 . 7 1 1 A 32 32 SER HA H 32 4.287 4.209 0.078 1
1 345 . 7 1 1 A 32 32 SER CA C 32 60.277 61.523 -1.246 1
1 346 . 7 1 1 A 32 32 SER CB C 32 62.277 62.749 -0.472 1
1 347 . 7 1 1 A 32 32 SER N N 32 112.551 113.725 -1.174 1
1 348 . 7 1 1 A 33 33 CYS H H 33 7.523 8.088 -0.565 1
1 349 . 7 1 1 A 33 33 CYS HA H 33 4.170 3.940 0.230 1
1 352 . 7 1 1 A 33 33 CYS CA C 33 63.408 62.819 0.589 1
1 353 . 7 1 1 A 33 33 CYS CB C 33 29.503 26.518 2.985 1
1 354 . 7 1 1 A 33 33 CYS N N 33 126.085 121.072 5.013 1
1 355 . 7 1 1 A 34 34 GLN H H 34 8.102 7.801 0.301 1
1 356 . 7 1 1 A 34 34 GLN HA H 34 3.963 4.072 -0.109 1
1 359 . 7 1 1 A 34 34 GLN N N 34 115.711 118.980 -3.269 1
1 361 . 7 1 1 A 35 35 LYS H H 35 8.093 7.814 0.279 1
1 362 . 7 1 1 A 35 35 LYS HA H 35 3.994 4.165 -0.171 1
1 371 . 7 1 1 A 35 35 LYS CA C 35 59.502 58.727 0.775 1
1 372 . 7 1 1 A 35 35 LYS CB C 35 32.273 32.613 -0.340 1
1 376 . 7 1 1 A 35 35 LYS N N 35 117.930 120.484 -2.554 1
1 377 . 7 1 1 A 36 36 MET H H 36 8.237 8.666 -0.429 1
1 378 . 7 1 1 A 36 36 MET HA H 36 4.488 4.090 0.398 1
1 386 . 7 1 1 A 36 36 MET CA C 36 56.725 59.318 -2.593 1
1 387 . 7 1 1 A 36 36 MET CB C 36 30.954 32.560 -1.606 1
1 390 . 7 1 1 A 36 36 MET N N 36 117.062 118.517 -1.455 1
1 391 . 7 1 1 A 37 37 LYS H H 37 9.107 8.075 1.032 1
1 392 . 7 1 1 A 37 37 LYS HA H 37 3.900 4.014 -0.114 1
1 401 . 7 1 1 A 37 37 LYS CA C 37 61.097 59.980 1.117 1
1 402 . 7 1 1 A 37 37 LYS CB C 37 32.947 32.215 0.732 1
1 406 . 7 1 1 A 37 37 LYS N N 37 120.186 119.207 0.979 1
1 407 . 7 1 1 A 38 38 ARG H H 38 7.781 7.950 -0.169 1
1 408 . 7 1 1 A 38 38 ARG HA H 38 4.127 4.094 0.033 1
1 413 . 7 1 1 A 38 38 ARG CA C 38 59.263 59.366 -0.103 1
1 414 . 7 1 1 A 38 38 ARG CB C 38 29.965 30.093 -0.128 1
1 416 . 7 1 1 A 38 38 ARG N N 38 118.971 119.645 -0.674 1
1 417 . 7 1 1 A 39 39 VAL H H 39 8.289 8.012 0.277 1
1 418 . 7 1 1 A 39 39 VAL HA H 39 3.539 3.733 -0.194 1
1 426 . 7 1 1 A 39 39 VAL CA C 39 66.989 66.479 0.510 1
1 427 . 7 1 1 A 39 39 VAL CB C 39 31.451 31.753 -0.302 1
1 430 . 7 1 1 A 39 39 VAL N N 39 123.829 120.083 3.746 1
1 431 . 7 1 1 A 40 40 VAL H H 40 8.318 8.354 -0.036 1
1 432 . 7 1 1 A 40 40 VAL HA H 40 3.528 3.797 -0.269 1
1 440 . 7 1 1 A 40 40 VAL CA C 40 67.050 65.272 1.778 1
1 441 . 7 1 1 A 40 40 VAL CB C 40 31.608 31.289 0.319 1
1 444 . 7 1 1 A 40 40 VAL N N 40 119.665 120.420 -0.755 1
1 445 . 7 1 1 A 41 41 GLN H H 41 8.263 8.059 0.204 1
1 446 . 7 1 1 A 41 41 GLN HA H 41 3.974 3.919 0.055 1
1 453 . 7 1 1 A 41 41 GLN CA C 41 58.571 59.235 -0.664 1
1 454 . 7 1 1 A 41 41 GLN CB C 41 28.018 28.390 -0.372 1
1 456 . 7 1 1 A 41 41 GLN N N 41 118.450 121.911 -3.461 1
1 458 . 7 1 1 A 42 42 HIS H H 42 8.309 8.015 0.294 1
1 459 . 7 1 1 A 42 42 HIS HA H 42 4.215 4.360 -0.145 1
1 463 . 7 1 1 A 42 42 HIS CA C 42 59.402 59.336 0.066 1
1 464 . 7 1 1 A 42 42 HIS CB C 42 26.966 30.452 -3.486 1
1 466 . 7 1 1 A 42 42 HIS N N 42 118.971 120.137 -1.166 1
1 467 . 7 1 1 A 43 43 THR H H 43 8.056 7.995 0.061 1
1 468 . 7 1 1 A 43 43 THR HA H 43 3.929 3.669 0.260 1
1 474 . 7 1 1 A 43 43 THR CA C 43 66.101 67.062 -0.961 1
1 475 . 7 1 1 A 43 43 THR CB C 43 69.107 68.338 0.769 1
1 477 . 7 1 1 A 43 43 THR N N 43 114.320 113.240 1.080 1
1 478 . 7 1 1 A 44 44 LYS H H 44 7.531 7.925 -0.394 1
1 479 . 7 1 1 A 44 44 LYS HA H 44 4.085 4.141 -0.056 1
1 488 . 7 1 1 A 44 44 LYS CA C 44 58.682 58.681 0.001 1
1 489 . 7 1 1 A 44 44 LYS CB C 44 32.024 32.452 -0.428 1
1 493 . 7 1 1 A 44 44 LYS N N 44 120.012 118.928 1.084 1
1 494 . 7 1 1 A 45 45 GLY H H 45 7.143 7.799 -0.656 1
1 495 . 7 1 1 A 45 45 GLY HA2 H 45 3.625 4.055 -0.430 1
1 496 . 7 1 1 A 45 45 GLY HA3 H 45 4.387 4.066 0.321 1
1 497 . 7 1 1 A 45 45 GLY CA C 45 44.289 45.369 -1.080 1
1 498 . 7 1 1 A 45 45 GLY N N 45 103.528 106.677 -3.149 1
1 499 . 7 1 1 A 46 46 CYS H H 46 6.988 7.204 -0.216 1
1 500 . 7 1 1 A 46 46 CYS HA H 46 3.955 4.407 -0.452 1
1 503 . 7 1 1 A 46 46 CYS CA C 46 60.654 59.207 1.447 1
1 504 . 7 1 1 A 46 46 CYS CB C 46 29.793 28.202 1.591 1
1 505 . 7 1 1 A 46 46 CYS N N 46 123.656 120.149 3.507 1
1 506 . 7 1 1 A 47 47 LYS H H 47 9.060 9.069 -0.009 1
1 507 . 7 1 1 A 47 47 LYS HA H 47 4.489 4.589 -0.100 1
1 516 . 7 1 1 A 47 47 LYS CA C 47 56.127 55.955 0.172 1
1 517 . 7 1 1 A 47 47 LYS CB C 47 32.393 33.385 -0.992 1
1 521 . 7 1 1 A 47 47 LYS N N 47 127.820 124.491 3.329 1
1 522 . 7 1 1 A 48 48 ARG H H 48 8.537 7.747 0.790 1
1 523 . 7 1 1 A 48 48 ARG HA H 48 4.330 4.535 -0.205 1
1 530 . 7 1 1 A 48 48 ARG CA C 48 57.648 56.672 0.976 1
1 531 . 7 1 1 A 48 48 ARG CB C 48 31.810 31.681 0.129 1
1 534 . 7 1 1 A 48 48 ARG N N 48 122.615 114.855 7.760 1
1 535 . 7 1 1 A 49 49 LYS H H 49 8.522 8.074 0.448 1
1 536 . 7 1 1 A 49 49 LYS HA H 49 4.554 4.326 0.228 1
1 545 . 7 1 1 A 49 49 LYS CA C 49 57.417 57.395 0.022 1
1 546 . 7 1 1 A 49 49 LYS CB C 49 31.543 32.740 -1.197 1
1 550 . 7 1 1 A 49 49 LYS N N 49 117.583 119.444 -1.861 1
1 551 . 7 1 1 A 50 50 THR H H 50 7.992 8.781 -0.789 1
1 552 . 7 1 1 A 50 50 THR HA H 50 4.127 3.959 0.168 1
1 557 . 7 1 1 A 50 50 THR CA C 50 63.985 65.408 -1.423 1
1 558 . 7 1 1 A 50 50 THR CB C 50 68.157 68.341 -0.184 1
1 560 . 7 1 1 A 50 50 THR N N 50 113.245 113.326 -0.081 1
1 561 . 7 1 1 A 51 51 ASN H H 51 8.888 8.294 0.594 1
1 562 . 7 1 1 A 51 51 ASN HA H 51 4.665 4.428 0.237 1
1 567 . 7 1 1 A 51 51 ASN CA C 51 54.159 56.177 -2.018 1
1 568 . 7 1 1 A 51 51 ASN CB C 51 37.857 38.291 -0.434 1
1 570 . 7 1 1 A 52 52 GLY H H 52 7.972 8.015 -0.043 1
1 571 . 7 1 1 A 52 52 GLY HA2 H 52 3.893 3.936 -0.043 1
1 572 . 7 1 1 A 52 52 GLY HA3 H 52 4.101 3.939 0.162 1
1 573 . 7 1 1 A 52 52 GLY CA C 52 45.368 45.718 -0.350 1
1 574 . 7 1 1 A 52 52 GLY N N 52 106.651 105.753 0.898 1
1 575 . 7 1 1 A 53 53 GLY H H 53 7.765 8.048 -0.283 1
1 576 . 7 1 1 A 53 53 GLY HA2 H 53 3.837 4.067 -0.230 1
1 577 . 7 1 1 A 53 53 GLY HA3 H 53 4.079 4.067 0.012 1
1 578 . 7 1 1 A 53 53 GLY CA C 53 45.227 44.909 0.318 1
1 579 . 7 1 1 A 53 53 GLY N N 53 107.519 106.740 0.779 1
1 580 . 7 1 1 A 54 54 CYS H H 54 8.099 7.958 0.141 1
1 581 . 7 1 1 A 54 54 CYS HA H 54 4.720 4.579 0.141 1
1 584 . 7 1 1 A 54 54 CYS CA C 54 55.572 57.377 -1.805 1
1 585 . 7 1 1 A 54 54 CYS CB C 54 30.216 28.718 1.498 1
1 586 . 7 1 1 A 54 54 CYS N N 54 122.615 119.676 2.939 1
1 587 . 7 1 1 A 55 55 PRO HA H 55 4.237 4.488 -0.251 1
1 594 . 7 1 1 A 55 55 PRO CA C 55 64.757 63.985 0.772 1
1 595 . 7 1 1 A 55 55 PRO CB C 55 32.311 31.962 0.349 1
1 598 . 7 1 1 A 56 56 VAL H H 56 7.645 7.250 0.395 1
1 599 . 7 1 1 A 56 56 VAL HA H 56 3.384 3.720 -0.336 1
1 607 . 7 1 1 A 56 56 VAL CA C 56 66.184 65.939 0.245 1
1 608 . 7 1 1 A 56 56 VAL CB C 56 32.502 31.630 0.872 1
1 611 . 7 1 1 A 56 56 VAL N N 56 121.227 116.427 4.800 1
1 612 . 7 1 1 A 57 57 CYS H H 57 8.565 7.916 0.649 1
1 613 . 7 1 1 A 57 57 CYS HA H 57 4.034 4.130 -0.096 1
1 616 . 7 1 1 A 57 57 CYS CA C 57 65.746 63.490 2.256 1
1 617 . 7 1 1 A 57 57 CYS CB C 57 29.273 27.125 2.148 1
1 618 . 7 1 1 A 57 57 CYS N N 57 122.615 117.863 4.752 1
1 619 . 7 1 1 A 58 58 LYS H H 58 7.956 7.648 0.308 1
1 620 . 7 1 1 A 58 58 LYS HA H 58 3.874 3.851 0.023 1
1 629 . 7 1 1 A 58 58 LYS CA C 58 59.955 59.421 0.534 1
1 630 . 7 1 1 A 58 58 LYS CB C 58 32.272 32.213 0.059 1
1 634 . 7 1 1 A 58 58 LYS N N 58 116.889 121.113 -4.224 1
1 635 . 7 1 1 A 59 59 GLN H H 59 7.359 7.734 -0.375 1
1 636 . 7 1 1 A 59 59 GLN HA H 59 3.789 4.055 -0.266 1
1 643 . 7 1 1 A 59 59 GLN CA C 59 60.647 58.729 1.918 1
1 644 . 7 1 1 A 59 59 GLN CB C 59 27.196 28.106 -0.910 1
1 646 . 7 1 1 A 59 59 GLN N N 59 116.889 118.652 -1.763 1
1 648 . 7 1 1 A 60 60 LEU H H 60 8.303 7.771 0.532 1
1 649 . 7 1 1 A 60 60 LEU HA H 60 4.093 3.951 0.142 1
1 659 . 7 1 1 A 60 60 LEU CA C 60 58.110 57.886 0.224 1
1 660 . 7 1 1 A 60 60 LEU CB C 60 40.807 41.837 -1.030 1
1 664 . 7 1 1 A 60 60 LEU N N 60 118.103 119.293 -1.190 1
1 665 . 7 1 1 A 61 61 ILE H H 61 8.804 8.011 0.793 1
1 666 . 7 1 1 A 61 61 ILE HA H 61 3.801 3.405 0.396 1
1 676 . 7 1 1 A 61 61 ILE CA C 61 63.416 65.612 -2.196 1
1 677 . 7 1 1 A 61 61 ILE CB C 61 36.886 37.676 -0.790 1
1 681 . 7 1 1 A 61 61 ILE N N 61 118.624 118.639 -0.015 1
1 682 . 7 1 1 A 62 62 ALA H H 62 7.796 7.873 -0.077 1
1 683 . 7 1 1 A 62 62 ALA HA H 62 4.058 4.150 -0.092 1
1 687 . 7 1 1 A 62 62 ALA CA C 62 56.030 55.350 0.680 1
1 688 . 7 1 1 A 62 62 ALA CB C 62 18.068 18.397 -0.329 1
1 689 . 7 1 1 A 62 62 ALA N N 62 124.003 122.795 1.208 1
1 690 . 7 1 1 A 63 63 LEU H H 63 8.011 7.705 0.306 1
1 691 . 7 1 1 A 63 63 LEU HA H 63 4.077 4.108 -0.031 1
1 701 . 7 1 1 A 63 63 LEU CA C 63 58.110 57.837 0.273 1
1 702 . 7 1 1 A 63 63 LEU CB C 63 42.116 41.322 0.794 1
1 706 . 7 1 1 A 63 63 LEU N N 63 117.583 119.304 -1.721 1
1 707 . 7 1 1 A 64 64 CYS H H 64 8.818 8.663 0.155 1
1 708 . 7 1 1 A 64 64 CYS HA H 64 4.053 4.270 -0.217 1
1 711 . 7 1 1 A 64 64 CYS CA C 64 64.800 62.880 1.920 1
1 712 . 7 1 1 A 64 64 CYS CB C 64 26.504 26.866 -0.362 1
1 713 . 7 1 1 A 64 64 CYS N N 64 118.277 116.848 1.429 1
1 714 . 7 1 1 A 65 65 CYS H H 65 8.793 8.646 0.147 1
1 715 . 7 1 1 A 65 65 CYS HA H 65 4.258 4.146 0.112 1
1 718 . 7 1 1 A 65 65 CYS CA C 65 63.646 63.906 -0.260 1
1 719 . 7 1 1 A 65 65 CYS CB C 65 26.966 26.770 0.196 1
1 720 . 7 1 1 A 65 65 CYS N N 65 118.971 119.294 -0.323 1
1 721 . 7 1 1 A 66 66 TYR H H 66 8.369 8.658 -0.289 1
1 722 . 7 1 1 A 66 66 TYR HA H 66 4.034 4.234 -0.200 1
1 729 . 7 1 1 A 66 66 TYR CA C 66 60.886 61.825 -0.939 1
1 730 . 7 1 1 A 66 66 TYR CB C 66 37.808 38.692 -0.884 1
1 733 . 7 1 1 A 66 66 TYR N N 66 121.574 122.629 -1.055 1
1 734 . 7 1 1 A 67 67 HIS H H 67 8.633 7.758 0.875 1
1 735 . 7 1 1 A 67 67 HIS HA H 67 4.318 4.265 0.053 1
1 740 . 7 1 1 A 67 67 HIS CA C 67 58.998 59.983 -0.985 1
1 741 . 7 1 1 A 67 67 HIS CB C 67 27.409 30.329 -2.920 1
1 744 . 7 1 1 A 67 67 HIS N N 67 117.409 119.053 -1.644 1
1 745 . 7 1 1 A 68 68 ALA H H 68 8.725 8.916 -0.191 1
1 746 . 7 1 1 A 68 68 ALA HA H 68 4.019 3.942 0.077 1
1 750 . 7 1 1 A 68 68 ALA CA C 68 54.690 55.309 -0.619 1
1 751 . 7 1 1 A 68 68 ALA CB C 68 19.964 18.571 1.393 1
1 752 . 7 1 1 A 68 68 ALA N N 68 122.094 120.789 1.305 1
1 753 . 7 1 1 A 69 69 LYS H H 69 7.362 8.160 -0.798 1
1 754 . 7 1 1 A 69 69 LYS HA H 69 3.736 3.860 -0.124 1
1 763 . 7 1 1 A 69 69 LYS CA C 69 58.137 59.315 -1.178 1
1 764 . 7 1 1 A 69 69 LYS CB C 69 32.224 32.312 -0.088 1
1 768 . 7 1 1 A 69 69 LYS N N 69 114.807 117.929 -3.122 1
1 769 . 7 1 1 A 70 70 HIS H H 70 7.011 7.496 -0.485 1
1 770 . 7 1 1 A 70 70 HIS HA H 70 4.697 4.390 0.307 1
1 774 . 7 1 1 A 70 70 HIS CA C 70 54.835 57.830 -2.995 1
1 775 . 7 1 1 A 70 70 HIS CB C 70 30.477 31.095 -0.618 1
1 777 . 7 1 1 A 70 70 HIS N N 70 112.898 113.324 -0.426 1
1 778 . 7 1 1 A 71 71 CYS H H 71 7.012 7.360 -0.348 1
1 779 . 7 1 1 A 71 71 CYS HA H 71 4.032 4.143 -0.111 1
1 782 . 7 1 1 A 71 71 CYS CA C 71 59.948 60.034 -0.086 1
1 783 . 7 1 1 A 71 71 CYS CB C 71 29.752 28.020 1.732 1
1 784 . 7 1 1 A 71 71 CYS N N 71 123.829 117.610 6.219 1
1 785 . 7 1 1 A 72 72 GLN H H 72 9.181 8.879 0.302 1
1 786 . 7 1 1 A 72 72 GLN HA H 72 4.674 4.567 0.107 1
1 793 . 7 1 1 A 72 72 GLN CA C 72 54.224 55.442 -1.218 1
1 794 . 7 1 1 A 72 72 GLN CB C 72 29.049 30.112 -1.063 1
1 796 . 7 1 1 A 72 72 GLN N N 72 128.341 123.117 5.224 1
1 798 . 7 1 1 A 73 73 GLU H H 73 8.396 7.380 1.016 1
1 799 . 7 1 1 A 73 73 GLU HA H 73 4.389 4.277 0.112 1
1 804 . 7 1 1 A 73 73 GLU CA C 73 55.341 56.654 -1.313 1
1 805 . 7 1 1 A 73 73 GLU CB C 73 30.239 30.795 -0.556 1
1 807 . 7 1 1 A 73 73 GLU N N 73 123.309 122.294 1.015 1
1 808 . 7 1 1 A 74 74 ASN H H 74 8.921 9.125 -0.204 1
1 809 . 7 1 1 A 74 74 ASN HA H 74 4.538 4.980 -0.442 1
1 814 . 7 1 1 A 74 74 ASN CA C 74 54.666 53.093 1.573 1
1 815 . 7 1 1 A 74 74 ASN CB C 74 38.301 39.645 -1.344 1
1 816 . 7 1 1 A 74 74 ASN N N 74 124.870 122.123 2.747 1
1 818 . 7 1 1 A 75 75 LYS H H 75 8.847 7.846 1.001 1
1 819 . 7 1 1 A 75 75 LYS HA H 75 4.442 4.659 -0.217 1
1 828 . 7 1 1 A 75 75 LYS CA C 75 54.327 55.301 -0.974 1
1 829 . 7 1 1 A 75 75 LYS CB C 75 30.837 33.119 -2.282 1
1 833 . 7 1 1 A 75 75 LYS N N 75 121.574 116.893 4.681 1
1 834 . 7 1 1 A 76 76 CYS H H 76 7.191 7.368 -0.177 1
1 835 . 7 1 1 A 76 76 CYS HA H 76 4.389 4.419 -0.030 1
1 838 . 7 1 1 A 76 76 CYS CA C 76 57.270 57.748 -0.478 1
1 839 . 7 1 1 A 76 76 CYS CB C 76 30.613 28.354 2.259 1
1 840 . 7 1 1 A 76 76 CYS N N 76 124.350 121.608 2.742 1
1 841 . 7 1 1 A 77 77 PRO HA H 77 4.673 4.434 0.239 1
1 848 . 7 1 1 A 77 77 PRO CA C 77 62.878 64.483 -1.605 1
1 849 . 7 1 1 A 77 77 PRO CB C 77 31.950 32.018 -0.068 1
1 852 . 7 1 1 A 78 78 VAL H H 78 8.974 7.755 1.219 1
1 853 . 7 1 1 A 78 78 VAL HA H 78 4.187 4.214 -0.027 1
1 861 . 7 1 1 A 78 78 VAL CA C 78 61.637 61.309 0.328 1
1 862 . 7 1 1 A 78 78 VAL CB C 78 31.654 32.335 -0.681 1
1 865 . 7 1 1 A 78 78 VAL N N 78 128.688 119.545 9.143 1
1 866 . 7 1 1 A 79 79 PRO HA H 79 3.938 4.278 -0.340 1
1 873 . 7 1 1 A 79 79 PRO CA C 79 63.962 64.993 -1.031 1
1 874 . 7 1 1 A 79 79 PRO CB C 79 30.887 31.956 -1.069 1
1 877 . 7 1 1 A 80 80 PHE HA H 80 4.350 4.300 0.050 1
1 884 . 7 1 1 A 80 80 PHE CA C 80 59.032 60.283 -1.251 1
1 885 . 7 1 1 A 80 80 PHE CB C 80 37.686 38.574 -0.888 1
1 888 . 7 1 1 A 81 81 CYS H H 81 7.686 8.345 -0.659 1
1 889 . 7 1 1 A 81 81 CYS HA H 81 4.001 4.168 -0.167 1
1 892 . 7 1 1 A 81 81 CYS CA C 81 64.779 62.526 2.253 1
1 893 . 7 1 1 A 81 81 CYS CB C 81 29.524 26.502 3.022 1
1 894 . 7 1 1 A 81 81 CYS N N 81 124.176 118.790 5.386 1
1 895 . 7 1 1 A 82 82 LEU H H 82 8.267 8.383 -0.116 1
1 896 . 7 1 1 A 82 82 LEU HA H 82 4.010 3.962 0.048 1
1 906 . 7 1 1 A 82 82 LEU CA C 82 58.340 58.144 0.196 1
1 907 . 7 1 1 A 82 82 LEU CB C 82 40.862 41.499 -0.637 1
1 911 . 7 1 1 A 82 82 LEU N N 82 114.980 121.265 -6.285 1
1 912 . 7 1 1 A 83 83 ASN H H 83 7.917 8.219 -0.302 1
1 913 . 7 1 1 A 83 83 ASN HA H 83 4.490 4.385 0.105 1
1 918 . 7 1 1 A 83 83 ASN CA C 83 56.061 56.923 -0.862 1
1 919 . 7 1 1 A 83 83 ASN CB C 83 38.494 39.142 -0.648 1
1 920 . 7 1 1 A 83 83 ASN N N 83 116.542 117.024 -0.482 1
1 922 . 7 1 1 A 84 84 ILE H H 84 8.788 8.390 0.398 1
1 923 . 7 1 1 A 84 84 ILE HA H 84 3.734 3.810 -0.076 1
1 933 . 7 1 1 A 84 84 ILE CA C 84 65.142 64.846 0.296 1
1 934 . 7 1 1 A 84 84 ILE CB C 84 38.039 37.895 0.144 1
1 938 . 7 1 1 A 84 84 ILE N N 84 121.747 119.472 2.275 1
1 939 . 7 1 1 A 85 85 LYS H H 85 8.954 8.515 0.439 1
1 940 . 7 1 1 A 85 85 LYS HA H 85 3.839 4.113 -0.274 1
1 949 . 7 1 1 A 85 85 LYS CA C 85 60.936 58.771 2.165 1
1 950 . 7 1 1 A 85 85 LYS CB C 85 32.041 32.005 0.036 1
1 954 . 7 1 1 A 85 85 LYS N N 85 119.665 120.524 -0.859 1
1 955 . 7 1 1 A 86 86 HIS H H 86 8.043 7.834 0.209 1
1 956 . 7 1 1 A 86 86 HIS HA H 86 4.411 4.336 0.075 1
1 960 . 7 1 1 A 86 86 HIS CA C 86 58.746 59.585 -0.839 1
1 961 . 7 1 1 A 86 86 HIS CB C 86 30.067 29.894 0.173 1
1 963 . 7 1 1 A 86 86 HIS N N 86 116.542 119.236 -2.694 1
1 964 . 7 1 1 A 87 87 LYS H H 87 7.822 7.851 -0.029 1
1 965 . 7 1 1 A 87 87 LYS HA H 87 4.158 3.976 0.182 1
1 968 . 7 1 1 A 87 87 LYS CA C 87 57.879 59.259 -1.380 1
1 969 . 7 1 1 A 87 87 LYS N N 87 119.318 118.805 0.513 1
1 970 . 7 1 1 A 88 88 LEU H H 88 8.405 8.564 -0.159 1
1 971 . 7 1 1 A 88 88 LEU HA H 88 4.194 3.995 0.199 1
1 981 . 7 1 1 A 88 88 LEU CA C 88 56.289 57.948 -1.659 1
1 982 . 7 1 1 A 88 88 LEU CB C 88 41.692 41.028 0.664 1
1 986 . 7 1 1 A 88 88 LEU N N 88 119.144 119.865 -0.721 1
1 987 . 7 1 1 A 89 89 ARG H H 89 7.826 8.376 -0.550 1
1 988 . 7 1 1 A 89 89 ARG HA H 89 4.271 3.996 0.275 1
1 995 . 7 1 1 A 89 89 ARG CA C 89 56.666 59.460 -2.794 1
1 996 . 7 1 1 A 89 89 ARG CB C 89 29.965 29.874 0.091 1
1 999 . 7 1 1 A 89 89 ARG N N 89 118.450 118.790 -0.340 1
1 1000 . 7 1 1 A 90 90 GLN H H 90 7.935 8.032 -0.097 1
1 1001 . 7 1 1 A 90 90 GLN HA H 90 4.270 4.130 0.140 1
1 1008 . 7 1 1 A 90 90 GLN CA C 90 55.840 58.490 -2.650 1
1 1009 . 7 1 1 A 90 90 GLN CB C 90 28.989 28.265 0.724 1
1 1011 . 7 1 1 A 90 90 GLN N N 90 119.318 118.370 0.948 1
1 1013 . 7 1 1 A 91 91 GLN H H 91 8.141 7.794 0.347 1
1 1014 . 7 1 1 A 91 91 GLN HA H 91 4.352 4.198 0.154 1
1 1021 . 7 1 1 A 91 91 GLN CA C 91 55.581 57.031 -1.450 1
1 1022 . 7 1 1 A 91 91 GLN CB C 91 29.284 28.810 0.474 1
1 1024 . 7 1 1 A 91 91 GLN N N 91 120.706 116.642 4.064 1
1 1043 . 7 2 2 B 2 2 SER CB C 707 63.646 63.530 0.116 1
1 1044 . 7 2 2 B 3 3 HIS HA H 708 4.663 3.682 0.981 1
1 1047 . 7 2 2 B 3 3 HIS CA C 708 56.033 54.338 1.695 1
1 1048 . 7 2 2 B 3 3 HIS CB C 708 30.146 31.572 -1.426 1
1 1053 . 7 2 2 B 5 5 SER H H 710 8.437 7.160 1.277 1
1 1054 . 7 2 2 B 5 5 SER HA H 710 4.429 4.150 0.279 1
1 1057 . 7 2 2 B 5 5 SER CA C 710 58.340 59.969 -1.629 1
1 1058 . 7 2 2 B 5 5 SER CB C 710 63.416 62.859 0.557 1
1 1059 . 7 2 2 B 5 5 SER N N 710 117.160 111.579 5.581 1
1 1060 . 7 2 2 B 6 6 GLU H H 711 8.458 7.450 1.008 1
1 1061 . 7 2 2 B 6 6 GLU HA H 711 4.311 4.751 -0.440 1
1 1066 . 7 2 2 B 6 6 GLU CA C 711 56.033 54.329 1.704 1
1 1067 . 7 2 2 B 6 6 GLU CB C 711 30.223 33.393 -3.170 1
1 1069 . 7 2 2 B 6 6 GLU N N 711 123.053 119.330 3.723 1
1 1070 . 7 2 2 B 7 7 VAL H H 712 8.150 8.723 -0.573 1
1 1071 . 7 2 2 B 7 7 VAL HA H 712 4.050 4.085 -0.035 1
1 1079 . 7 2 2 B 7 7 VAL CA C 712 61.801 63.424 -1.623 1
1 1080 . 7 2 2 B 7 7 VAL CB C 712 32.041 30.897 1.144 1
1 1083 . 7 2 2 B 7 7 VAL N N 712 121.173 120.811 0.362 1
1 1084 . 7 2 2 B 8 8 HIS H H 713 8.495 8.353 0.142 1
1 1085 . 7 2 2 B 8 8 HIS HA H 713 4.914 5.008 -0.094 1
1 1089 . 7 2 2 B 8 8 HIS CA C 713 53.945 53.714 0.231 1
1 1090 . 7 2 2 B 8 8 HIS CB C 713 30.218 30.337 -0.119 1
1 1092 . 7 2 2 B 8 8 HIS N N 713 125.310 127.064 -1.754 1
1 1093 . 7 2 2 B 9 9 PRO HA H 714 4.430 4.567 -0.137 1
1 1100 . 7 2 2 B 9 9 PRO CA C 714 63.409 62.272 1.137 1
1 1101 . 7 2 2 B 9 9 PRO CB C 714 32.018 32.668 -0.650 1
1 1104 . 7 2 2 B 10 10 SER H H 715 8.889 8.542 0.347 1
1 1105 . 7 2 2 B 10 10 SER HA H 715 4.437 4.530 -0.093 1
1 1108 . 7 2 2 B 10 10 SER CA C 715 58.571 57.345 1.226 1
1 1109 . 7 2 2 B 10 10 SER CB C 715 63.213 64.982 -1.769 1
1 1110 . 7 2 2 B 10 10 SER N N 715 116.533 114.859 1.674 1
1 1111 . 7 2 2 B 11 11 ARG H H 716 8.442 8.327 0.115 1
1 1112 . 7 2 2 B 11 11 ARG HA H 716 4.388 4.976 -0.588 1
1 1119 . 7 2 2 B 11 11 ARG CA C 716 55.882 54.338 1.544 1
1 1120 . 7 2 2 B 11 11 ARG CB C 716 30.395 34.065 -3.670 1
1 1123 . 7 2 2 B 11 11 ARG N N 716 122.803 119.402 3.401 1
1 1124 . 7 2 2 B 12 12 LEU H H 717 8.133 8.659 -0.526 1
1 1125 . 7 2 2 B 12 12 LEU HA H 717 4.356 5.032 -0.676 1
1 1135 . 7 2 2 B 12 12 LEU CA C 717 54.880 53.267 1.613 1
1 1136 . 7 2 2 B 12 12 LEU CB C 717 42.081 45.904 -3.823 1
1 1140 . 7 2 2 B 12 12 LEU N N 717 122.552 117.190 5.362 1
1 1141 . 7 2 2 B 13 13 GLN H H 718 8.440 8.725 -0.285 1
1 1142 . 7 2 2 B 13 13 GLN HA H 718 4.454 4.898 -0.444 1
1 1149 . 7 2 2 B 13 13 GLN CA C 718 55.341 54.002 1.339 1
1 1150 . 7 2 2 B 13 13 GLN CB C 718 29.285 33.092 -3.807 1
1 1152 . 7 2 2 B 13 13 GLN N N 718 121.298 118.042 3.256 1
1 1154 . 7 2 2 B 14 14 THR H H 719 8.257 8.780 -0.523 1
1 1155 . 7 2 2 B 14 14 THR HA H 719 4.438 4.598 -0.160 1
1 1160 . 7 2 2 B 14 14 THR CA C 719 61.339 61.155 0.184 1
1 1161 . 7 2 2 B 14 14 THR CB C 719 69.456 70.849 -1.393 1
1 1163 . 7 2 2 B 14 14 THR N N 719 115.154 113.750 1.404 1
1 1164 . 7 2 2 B 15 15 THR H H 720 8.240 8.768 -0.528 1
1 1165 . 7 2 2 B 15 15 THR HA H 720 4.275 4.122 0.153 1
1 1170 . 7 2 2 B 15 15 THR CA C 720 61.967 64.349 -2.382 1
1 1171 . 7 2 2 B 15 15 THR CB C 720 69.183 68.541 0.642 1
1 1173 . 7 2 2 B 15 15 THR N N 720 115.029 114.792 0.237 1
1 1174 . 7 2 2 B 16 16 ASP H H 721 8.293 8.212 0.081 1
1 1175 . 7 2 2 B 16 16 ASP HA H 721 4.494 4.637 -0.143 1
1 1178 . 7 2 2 B 16 16 ASP CA C 721 54.880 53.432 1.448 1
1 1179 . 7 2 2 B 16 16 ASP CB C 721 40.891 40.933 -0.042 1
1 1180 . 7 2 2 B 16 16 ASP N N 721 122.427 120.111 2.316 1
1 1181 . 7 2 2 B 17 17 ASN H H 722 8.272 8.044 0.228 1
1 1182 . 7 2 2 B 17 17 ASN HA H 722 4.577 4.999 -0.422 1
1 1187 . 7 2 2 B 17 17 ASN CA C 722 53.330 52.063 1.267 1
1 1188 . 7 2 2 B 17 17 ASN CB C 722 38.332 39.224 -0.892 1
1 1189 . 7 2 2 B 17 17 ASN N N 722 118.916 117.701 1.215 1
1 1191 . 7 2 2 B 18 18 LEU H H 723 8.204 7.292 0.912 1
1 1192 . 7 2 2 B 18 18 LEU HA H 723 4.191 4.059 0.132 1
1 1202 . 7 2 2 B 18 18 LEU CA C 723 54.200 57.814 -3.614 1
1 1203 . 7 2 2 B 18 18 LEU CB C 723 43.545 41.273 2.272 1
1 1207 . 7 2 2 B 18 18 LEU N N 723 121.173 119.419 1.754 1
1 1208 . 7 2 2 B 19 19 LEU H H 724 7.416 7.595 -0.179 1
1 1209 . 7 2 2 B 19 19 LEU HA H 724 4.273 4.323 -0.050 1
1 1219 . 7 2 2 B 19 19 LEU CA C 724 52.415 53.964 -1.549 1
1 1220 . 7 2 2 B 19 19 LEU CB C 724 40.471 42.059 -1.588 1
1 1224 . 7 2 2 B 19 19 LEU N N 724 117.286 121.506 -4.220 1
1 1225 . 7 2 2 B 20 20 PRO HA H 725 4.271 4.500 -0.229 1
1 1232 . 7 2 2 B 20 20 PRO CA C 725 63.877 64.156 -0.279 1
1 1233 . 7 2 2 B 20 20 PRO CB C 725 32.716 31.816 0.900 1
1 1236 . 7 2 2 B 21 21 MET H H 726 8.932 7.598 1.334 1
1 1237 . 7 2 2 B 21 21 MET HA H 726 4.841 4.808 0.033 1
1 1245 . 7 2 2 B 21 21 MET CA C 726 54.199 54.399 -0.200 1
1 1246 . 7 2 2 B 21 21 MET CB C 726 36.939 36.116 0.823 1
1 1249 . 7 2 2 B 21 21 MET N N 726 116.784 118.824 -2.040 1
1 1250 . 7 2 2 B 22 22 SER H H 727 8.956 9.140 -0.184 1
1 1251 . 7 2 2 B 22 22 SER HA H 727 4.771 4.690 0.081 1
1 1254 . 7 2 2 B 22 22 SER CA C 727 56.255 57.059 -0.804 1
1 1255 . 7 2 2 B 22 22 SER CB C 727 62.528 62.958 -0.430 1
1 1256 . 7 2 2 B 22 22 SER N N 727 119.167 120.927 -1.760 1
1 1257 . 7 2 2 B 23 23 PRO HA H 728 4.312 4.355 -0.043 1
1 1264 . 7 2 2 B 23 23 PRO CA C 728 65.953 65.620 0.333 1
1 1265 . 7 2 2 B 23 23 PRO CB C 728 31.810 31.900 -0.090 1
1 1268 . 7 2 2 B 24 24 GLU H H 729 8.877 8.517 0.360 1
1 1269 . 7 2 2 B 24 24 GLU HA H 729 4.163 4.063 0.100 1
1 1274 . 7 2 2 B 24 24 GLU CA C 729 59.748 59.715 0.033 1
1 1275 . 7 2 2 B 24 24 GLU CB C 729 28.819 28.968 -0.149 1
1 1277 . 7 2 2 B 24 24 GLU N N 729 116.283 117.770 -1.487 1
1 1278 . 7 2 2 B 25 25 GLU H H 730 7.789 7.803 -0.014 1
1 1279 . 7 2 2 B 25 25 GLU HA H 730 3.787 4.024 -0.237 1
1 1284 . 7 2 2 B 25 25 GLU CA C 730 59.266 58.861 0.405 1
1 1285 . 7 2 2 B 25 25 GLU CB C 730 29.501 29.786 -0.285 1
1 1287 . 7 2 2 B 25 25 GLU N N 730 121.298 120.146 1.152 1
1 1288 . 7 2 2 B 26 26 PHE H H 731 8.730 8.723 0.007 1
1 1289 . 7 2 2 B 26 26 PHE HA H 731 4.364 4.170 0.194 1
1 1296 . 7 2 2 B 26 26 PHE CA C 731 59.724 61.429 -1.705 1
1 1297 . 7 2 2 B 26 26 PHE CB C 731 38.230 39.451 -1.221 1
1 1300 . 7 2 2 B 26 26 PHE N N 731 119.543 121.447 -1.904 1
1 1301 . 7 2 2 B 27 27 ASP H H 732 8.587 8.636 -0.049 1
1 1302 . 7 2 2 B 27 27 ASP HA H 732 4.097 4.223 -0.126 1
1 1305 . 7 2 2 B 27 27 ASP CA C 732 57.256 57.602 -0.346 1
1 1306 . 7 2 2 B 27 27 ASP CB C 732 40.421 41.455 -1.034 1
1 1307 . 7 2 2 B 27 27 ASP N N 732 121.549 118.720 2.829 1
1 1308 . 7 2 2 B 28 28 GLU H H 733 7.383 7.801 -0.418 1
1 1309 . 7 2 2 B 28 28 GLU HA H 733 4.155 4.041 0.114 1
1 1314 . 7 2 2 B 28 28 GLU CA C 733 58.749 59.092 -0.343 1
1 1315 . 7 2 2 B 28 28 GLU CB C 733 28.933 29.270 -0.337 1
1 1317 . 7 2 2 B 28 28 GLU N N 733 119.793 119.416 0.377 1
1 1318 . 7 2 2 B 29 29 VAL H H 734 8.246 7.946 0.300 1
1 1319 . 7 2 2 B 29 29 VAL HA H 734 3.595 3.456 0.139 1
1 1327 . 7 2 2 B 29 29 VAL CA C 734 66.219 66.189 0.030 1
1 1328 . 7 2 2 B 29 29 VAL CB C 734 31.362 31.621 -0.259 1
1 1331 . 7 2 2 B 29 29 VAL N N 734 118.540 120.810 -2.270 1
1 1332 . 7 2 2 B 30 30 SER H H 735 8.384 8.336 0.048 1
1 1333 . 7 2 2 B 30 30 SER HA H 735 3.912 3.790 0.122 1
1 1336 . 7 2 2 B 30 30 SER CA C 735 61.703 62.250 -0.547 1
1 1337 . 7 2 2 B 30 30 SER CB C 735 62.059 62.456 -0.397 1
1 1338 . 7 2 2 B 30 30 SER N N 735 115.154 114.413 0.741 1
1 1339 . 7 2 2 B 31 31 ARG H H 736 7.683 8.075 -0.392 1
1 1340 . 7 2 2 B 31 31 ARG HA H 736 4.027 4.016 0.011 1
1 1348 . 7 2 2 B 31 31 ARG CA C 736 58.571 58.884 -0.313 1
1 1349 . 7 2 2 B 31 31 ARG CB C 736 30.068 29.692 0.376 1
1 1352 . 7 2 2 B 31 31 ARG N N 736 121.549 121.744 -0.195 1
1 1354 . 7 2 2 B 32 32 ILE H H 737 7.703 7.249 0.454 1
1 1355 . 7 2 2 B 32 32 ILE HA H 737 3.859 3.875 -0.016 1
1 1365 . 7 2 2 B 32 32 ILE CA C 737 63.445 64.322 -0.877 1
1 1366 . 7 2 2 B 32 32 ILE CB C 737 38.332 38.085 0.247 1
1 1370 . 7 2 2 B 32 32 ILE N N 737 119.167 120.286 -1.119 1
1 1371 . 7 2 2 B 33 33 VAL H H 738 8.293 7.866 0.427 1
1 1372 . 7 2 2 B 33 33 VAL HA H 738 3.901 3.670 0.231 1
1 1380 . 7 2 2 B 33 33 VAL CA C 738 63.805 65.655 -1.850 1
1 1381 . 7 2 2 B 33 33 VAL CB C 738 32.408 31.551 0.857 1
1 1384 . 7 2 2 B 33 33 VAL N N 738 116.157 119.977 -3.820 1
1 1385 . 7 2 2 B 34 34 GLY H H 739 7.868 7.885 -0.017 1
1 1386 . 7 2 2 B 34 34 GLY HA2 H 739 3.813 3.797 0.016 1
1 1387 . 7 2 2 B 34 34 GLY HA3 H 739 4.120 3.824 0.296 1
1 1388 . 7 2 2 B 34 34 GLY CA C 739 44.831 46.774 -1.943 1
1 1389 . 7 2 2 B 34 34 GLY N N 739 108.258 110.809 -2.551 1
1 1390 . 7 2 2 B 35 35 SER H H 740 8.366 8.163 0.203 1
1 1391 . 7 2 2 B 35 35 SER HA H 740 4.389 3.986 0.403 1
1 1394 . 7 2 2 B 35 35 SER CA C 740 58.261 59.114 -0.853 1
1 1395 . 7 2 2 B 35 35 SER CB C 740 62.663 61.621 1.042 1
1 1396 . 7 2 2 B 35 35 SER N N 740 116.408 108.452 7.956 1
1 1397 . 7 2 2 B 36 36 VAL H H 741 7.897 7.681 0.216 1
1 1398 . 7 2 2 B 36 36 VAL HA H 741 4.054 3.836 0.218 1
1 1406 . 7 2 2 B 36 36 VAL CA C 741 61.737 66.098 -4.361 1
1 1407 . 7 2 2 B 36 36 VAL CB C 741 33.084 31.642 1.442 1
1 1410 . 7 2 2 B 36 36 VAL N N 741 122.928 118.648 4.280 1
1 1411 . 7 2 2 B 37 37 GLU H H 742 8.468 8.018 0.450 1
1 1412 . 7 2 2 B 37 37 GLU HA H 742 4.306 4.701 -0.395 1
1 1417 . 7 2 2 B 37 37 GLU CA C 742 55.803 56.003 -0.200 1
1 1418 . 7 2 2 B 37 37 GLU CB C 742 29.029 31.023 -1.994 1
1 1420 . 7 2 2 B 37 37 GLU N N 742 124.057 119.556 4.501 1
1 1421 . 7 2 2 B 38 38 PHE H H 743 8.222 7.969 0.253 1
1 1422 . 7 2 2 B 38 38 PHE HA H 743 4.360 4.062 0.298 1
1 1429 . 7 2 2 B 38 38 PHE CA C 743 59.263 61.896 -2.633 1
1 1430 . 7 2 2 B 38 38 PHE CB C 743 39.524 39.369 0.155 1
1 1433 . 7 2 2 B 38 38 PHE N N 743 122.427 121.729 0.698 1
1 1434 . 7 2 2 B 39 39 ASP H H 744 8.602 8.905 -0.303 1
1 1435 . 7 2 2 B 39 39 ASP HA H 744 4.380 4.353 0.027 1
1 1438 . 7 2 2 B 39 39 ASP CA C 744 56.495 55.171 1.324 1
1 1439 . 7 2 2 B 39 39 ASP CB C 744 40.119 39.447 0.672 1
1 1440 . 7 2 2 B 39 39 ASP N N 744 120.044 118.114 1.930 1
1 1441 . 7 2 2 B 40 40 SER H H 745 8.143 7.877 0.266 1
1 1442 . 7 2 2 B 40 40 SER HA H 745 4.328 4.709 -0.381 1
1 1445 . 7 2 2 B 40 40 SER CA C 745 59.724 58.246 1.478 1
1 1446 . 7 2 2 B 40 40 SER CB C 745 62.723 63.927 -1.204 1
1 1447 . 7 2 2 B 40 40 SER N N 745 114.527 114.584 -0.057 1
1 1448 . 7 2 2 B 41 41 MET H H 746 7.930 7.537 0.393 1
1 1449 . 7 2 2 B 41 41 MET HA H 746 4.374 4.199 0.175 1
1 1457 . 7 2 2 B 41 41 MET CA C 746 56.244 58.160 -1.916 1
1 1458 . 7 2 2 B 41 41 MET CB C 746 32.502 32.220 0.282 1
1 1461 . 7 2 2 B 41 41 MET N N 746 120.044 120.985 -0.941 1
1 1462 . 7 2 2 B 42 42 MET H H 747 7.784 7.779 0.005 1
1 1463 . 7 2 2 B 42 42 MET HA H 747 4.232 4.649 -0.417 1
1 1471 . 7 2 2 B 42 42 MET CA C 747 55.830 54.657 1.173 1
1 1472 . 7 2 2 B 42 42 MET CB C 747 32.502 32.628 -0.126 1
1 1475 . 7 2 2 B 42 42 MET N N 747 117.035 117.304 -0.269 1
1 1476 . 7 2 2 B 43 43 ASN H H 748 7.960 7.896 0.064 1
1 1477 . 7 2 2 B 43 43 ASN HA H 748 4.831 4.399 0.432 1
1 1482 . 7 2 2 B 43 43 ASN CA C 748 53.146 56.104 -2.958 1
1 1483 . 7 2 2 B 43 43 ASN CB C 748 38.795 39.734 -0.939 1
1 1484 . 7 2 2 B 43 43 ASN N N 748 117.537 120.066 -2.529 1
1 1486 . 7 2 2 B 44 44 THR H H 749 8.039 7.682 0.357 1
1 1487 . 7 2 2 B 44 44 THR HA H 749 4.432 4.149 0.283 1
1 1492 . 7 2 2 B 44 44 THR CA C 749 61.570 65.780 -4.210 1
1 1493 . 7 2 2 B 44 44 THR CB C 749 69.644 68.933 0.711 1
1 1495 . 7 2 2 B 44 44 THR N N 749 114.026 115.637 -1.611 1
1 6 . 8 1 1 A 2 2 PRO HA H 2 4.396 4.305 0.091 1
1 13 . 8 1 1 A 2 2 PRO CA C 2 65.107 65.925 -0.818 1
1 14 . 8 1 1 A 2 2 PRO CB C 2 31.810 31.349 0.461 1
1 17 . 8 1 1 A 3 3 GLN H H 3 8.509 8.409 0.100 1
1 18 . 8 1 1 A 3 3 GLN HA H 3 3.962 4.180 -0.218 1
1 25 . 8 1 1 A 3 3 GLN CA C 3 59.223 57.930 1.293 1
1 26 . 8 1 1 A 3 3 GLN CB C 3 28.119 28.634 -0.515 1
1 28 . 8 1 1 A 3 3 GLN N N 3 117.064 117.849 -0.785 1
1 30 . 8 1 1 A 4 4 GLU H H 4 7.950 8.296 -0.346 1
1 31 . 8 1 1 A 4 4 GLU HA H 4 4.105 4.048 0.057 1
1 36 . 8 1 1 A 4 4 GLU CA C 4 58.778 59.535 -0.757 1
1 37 . 8 1 1 A 4 4 GLU CB C 4 29.734 29.221 0.513 1
1 39 . 8 1 1 A 4 4 GLU N N 4 121.574 121.559 0.015 1
1 40 . 8 1 1 A 5 5 SER H H 5 8.511 7.912 0.599 1
1 41 . 8 1 1 A 5 5 SER HA H 5 4.238 4.079 0.159 1
1 44 . 8 1 1 A 5 5 SER CA C 5 61.377 61.543 -0.166 1
1 45 . 8 1 1 A 5 5 SER CB C 5 62.351 62.935 -0.584 1
1 46 . 8 1 1 A 5 5 SER N N 5 115.674 115.969 -0.295 1
1 47 . 8 1 1 A 6 6 ARG H H 6 8.276 7.645 0.631 1
1 48 . 8 1 1 A 6 6 ARG HA H 6 4.324 4.108 0.216 1
1 55 . 8 1 1 A 6 6 ARG CA C 6 58.988 59.347 -0.359 1
1 56 . 8 1 1 A 6 6 ARG CB C 6 30.426 30.194 0.232 1
1 59 . 8 1 1 A 6 6 ARG N N 6 122.441 121.951 0.490 1
1 60 . 8 1 1 A 7 7 ARG H H 7 8.015 7.810 0.205 1
1 61 . 8 1 1 A 7 7 ARG HA H 7 3.955 4.124 -0.169 1
1 68 . 8 1 1 A 7 7 ARG CA C 7 59.724 58.892 0.832 1
1 69 . 8 1 1 A 7 7 ARG CB C 7 29.965 29.969 -0.004 1
1 72 . 8 1 1 A 7 7 ARG N N 7 119.491 119.760 -0.269 1
1 73 . 8 1 1 A 8 8 LEU H H 8 8.158 8.531 -0.373 1
1 74 . 8 1 1 A 8 8 LEU HA H 8 4.161 4.042 0.119 1
1 84 . 8 1 1 A 8 8 LEU CA C 8 57.686 57.841 -0.155 1
1 85 . 8 1 1 A 8 8 LEU CB C 8 41.312 41.602 -0.290 1
1 89 . 8 1 1 A 8 8 LEU N N 8 120.359 120.043 0.316 1
1 90 . 8 1 1 A 9 9 SER H H 9 8.090 7.813 0.277 1
1 91 . 8 1 1 A 9 9 SER HA H 9 4.292 4.041 0.251 1
1 94 . 8 1 1 A 9 9 SER CA C 9 61.570 62.565 -0.995 1
1 95 . 8 1 1 A 9 9 SER CB C 9 62.493 62.786 -0.293 1
1 96 . 8 1 1 A 9 9 SER N N 9 116.178 113.801 2.377 1
1 97 . 8 1 1 A 10 10 ILE H H 10 8.396 7.951 0.445 1
1 98 . 8 1 1 A 10 10 ILE HA H 10 3.505 3.464 0.041 1
1 108 . 8 1 1 A 10 10 ILE CA C 10 65.608 65.166 0.442 1
1 109 . 8 1 1 A 10 10 ILE CB C 10 37.706 37.215 0.491 1
1 113 . 8 1 1 A 10 10 ILE N N 10 122.840 121.247 1.593 1
1 114 . 8 1 1 A 11 11 GLN H H 11 8.142 8.036 0.106 1
1 115 . 8 1 1 A 11 11 GLN HA H 11 4.032 4.013 0.019 1
1 122 . 8 1 1 A 11 11 GLN CA C 11 59.060 59.272 -0.212 1
1 123 . 8 1 1 A 11 11 GLN CB C 11 27.888 28.284 -0.396 1
1 125 . 8 1 1 A 11 11 GLN N N 11 119.144 118.377 0.767 1
1 127 . 8 1 1 A 12 12 ARG H H 12 8.330 7.863 0.467 1
1 128 . 8 1 1 A 12 12 ARG HA H 12 4.179 4.003 0.176 1
1 135 . 8 1 1 A 12 12 ARG CA C 12 59.494 59.327 0.167 1
1 136 . 8 1 1 A 12 12 ARG CB C 12 29.734 29.981 -0.247 1
1 138 . 8 1 1 A 12 12 ARG N N 12 120.186 119.070 1.116 1
1 139 . 8 1 1 A 13 13 CYS H H 13 8.242 8.046 0.196 1
1 140 . 8 1 1 A 13 13 CYS HA H 13 4.231 4.078 0.153 1
1 143 . 8 1 1 A 13 13 CYS CA C 13 63.289 63.821 -0.532 1
1 144 . 8 1 1 A 13 13 CYS CB C 13 26.505 27.104 -0.599 1
1 145 . 8 1 1 A 13 13 CYS N N 13 121.574 120.356 1.218 1
1 146 . 8 1 1 A 14 14 ILE H H 14 8.493 8.549 -0.056 1
1 147 . 8 1 1 A 14 14 ILE HA H 14 3.787 3.550 0.237 1
1 157 . 8 1 1 A 14 14 ILE CA C 14 64.269 65.391 -1.122 1
1 158 . 8 1 1 A 14 14 ILE CB C 14 36.597 37.711 -1.114 1
1 162 . 8 1 1 A 14 14 ILE N N 14 120.012 119.424 0.588 1
1 163 . 8 1 1 A 15 15 GLN H H 15 8.468 8.259 0.209 1
1 164 . 8 1 1 A 15 15 GLN HA H 15 4.107 4.022 0.085 1
1 171 . 8 1 1 A 15 15 GLN CA C 15 58.969 59.065 -0.096 1
1 172 . 8 1 1 A 15 15 GLN CB C 15 27.843 28.536 -0.693 1
1 174 . 8 1 1 A 15 15 GLN N N 15 119.665 118.906 0.759 1
1 176 . 8 1 1 A 16 16 SER H H 16 8.409 8.076 0.333 1
1 177 . 8 1 1 A 16 16 SER HA H 16 4.424 4.089 0.335 1
1 180 . 8 1 1 A 16 16 SER CA C 16 61.726 62.531 -0.805 1
1 181 . 8 1 1 A 16 16 SER CB C 16 62.564 62.963 -0.399 1
1 182 . 8 1 1 A 16 16 SER N N 16 117.062 116.231 0.831 1
1 183 . 8 1 1 A 17 17 LEU H H 17 8.235 8.091 0.144 1
1 184 . 8 1 1 A 17 17 LEU HA H 17 4.103 4.076 0.027 1
1 194 . 8 1 1 A 17 17 LEU CA C 17 58.340 57.807 0.533 1
1 195 . 8 1 1 A 17 17 LEU CB C 17 41.961 41.708 0.253 1
1 199 . 8 1 1 A 17 17 LEU N N 17 125.564 122.983 2.581 1
1 200 . 8 1 1 A 18 18 VAL H H 18 8.603 8.317 0.286 1
1 201 . 8 1 1 A 18 18 VAL HA H 18 3.261 3.568 -0.307 1
1 209 . 8 1 1 A 18 18 VAL CA C 18 67.097 66.493 0.604 1
1 210 . 8 1 1 A 18 18 VAL CB C 18 31.589 31.533 0.056 1
1 213 . 8 1 1 A 18 18 VAL N N 18 119.665 118.880 0.785 1
1 214 . 8 1 1 A 19 19 HIS H H 19 8.083 8.348 -0.265 1
1 215 . 8 1 1 A 19 19 HIS HA H 19 4.231 4.152 0.079 1
1 219 . 8 1 1 A 19 19 HIS CA C 19 59.641 60.108 -0.467 1
1 220 . 8 1 1 A 19 19 HIS CB C 19 26.966 29.694 -2.728 1
1 222 . 8 1 1 A 19 19 HIS N N 19 116.094 119.352 -3.258 1
1 223 . 8 1 1 A 20 20 ALA H H 20 8.796 8.368 0.428 1
1 224 . 8 1 1 A 20 20 ALA HA H 20 4.308 3.996 0.312 1
1 228 . 8 1 1 A 20 20 ALA CA C 20 55.341 55.178 0.163 1
1 229 . 8 1 1 A 20 20 ALA CB C 20 20.026 18.297 1.729 1
1 230 . 8 1 1 A 20 20 ALA N N 20 121.747 120.420 1.327 1
1 231 . 8 1 1 A 21 21 CYS H H 21 7.909 7.989 -0.080 1
1 232 . 8 1 1 A 21 21 CYS HA H 21 4.294 4.230 0.064 1
1 235 . 8 1 1 A 21 21 CYS CA C 21 61.665 61.539 0.126 1
1 236 . 8 1 1 A 21 21 CYS CB C 21 26.764 27.046 -0.282 1
1 237 . 8 1 1 A 21 21 CYS N N 21 111.875 115.820 -3.945 1
1 238 . 8 1 1 A 22 22 GLN H H 22 7.357 7.599 -0.242 1
1 239 . 8 1 1 A 22 22 GLN HA H 22 4.531 4.344 0.187 1
1 246 . 8 1 1 A 22 22 GLN CA C 22 54.445 56.173 -1.728 1
1 247 . 8 1 1 A 22 22 GLN CB C 22 30.608 30.378 0.230 1
1 249 . 8 1 1 A 22 22 GLN N N 22 116.021 117.078 -1.057 1
1 251 . 8 1 1 A 23 23 CYS H H 23 7.229 7.719 -0.490 1
1 252 . 8 1 1 A 23 23 CYS HA H 23 3.947 4.263 -0.316 1
1 255 . 8 1 1 A 23 23 CYS CA C 23 59.996 59.633 0.363 1
1 256 . 8 1 1 A 23 23 CYS CB C 23 29.000 27.938 1.062 1
1 257 . 8 1 1 A 23 23 CYS N N 23 124.350 118.437 5.913 1
1 258 . 8 1 1 A 24 24 ARG H H 24 8.966 8.778 0.188 1
1 259 . 8 1 1 A 24 24 ARG HA H 24 4.590 4.543 0.047 1
1 266 . 8 1 1 A 24 24 ARG CA C 24 54.306 56.096 -1.790 1
1 267 . 8 1 1 A 24 24 ARG CB C 24 29.771 31.348 -1.577 1
1 270 . 8 1 1 A 24 24 ARG N N 24 129.729 124.371 5.358 1
1 271 . 8 1 1 A 25 25 ASN H H 25 7.823 6.997 0.826 1
1 272 . 8 1 1 A 25 25 ASN HA H 25 4.853 4.653 0.200 1
1 277 . 8 1 1 A 25 25 ASN CA C 25 51.372 53.538 -2.166 1
1 278 . 8 1 1 A 25 25 ASN CB C 25 38.727 38.758 -0.031 1
1 279 . 8 1 1 A 25 25 ASN N N 25 120.186 118.924 1.262 1
1 281 . 8 1 1 A 26 26 ALA H H 26 9.248 8.828 0.420 1
1 282 . 8 1 1 A 26 26 ALA HA H 26 4.091 4.053 0.038 1
1 286 . 8 1 1 A 26 26 ALA CA C 26 54.027 54.787 -0.760 1
1 287 . 8 1 1 A 26 26 ALA CB C 26 18.209 18.552 -0.343 1
1 288 . 8 1 1 A 26 26 ALA N N 26 130.423 126.510 3.913 1
1 289 . 8 1 1 A 27 27 ASN H H 27 8.085 7.990 0.095 1
1 290 . 8 1 1 A 27 27 ASN HA H 27 4.834 4.993 -0.159 1
1 295 . 8 1 1 A 27 27 ASN CA C 27 51.625 52.134 -0.509 1
1 296 . 8 1 1 A 27 27 ASN CB C 27 38.577 39.313 -0.736 1
1 297 . 8 1 1 A 27 27 ASN N N 27 113.766 115.669 -1.903 1
1 299 . 8 1 1 A 28 28 CYS H H 28 7.209 7.831 -0.622 1
1 300 . 8 1 1 A 28 28 CYS HA H 28 4.053 4.420 -0.367 1
1 303 . 8 1 1 A 28 28 CYS CA C 28 61.312 59.557 1.755 1
1 304 . 8 1 1 A 28 28 CYS CB C 28 29.674 29.169 0.505 1
1 305 . 8 1 1 A 28 28 CYS N N 28 123.309 121.099 2.210 1
1 306 . 8 1 1 A 29 29 SER H H 29 8.922 8.578 0.344 1
1 307 . 8 1 1 A 29 29 SER HA H 29 4.609 4.207 0.402 1
1 310 . 8 1 1 A 29 29 SER CA C 29 57.450 60.841 -3.391 1
1 311 . 8 1 1 A 29 29 SER CB C 29 63.604 63.042 0.562 1
1 312 . 8 1 1 A 29 29 SER N N 29 124.870 119.033 5.837 1
1 313 . 8 1 1 A 30 30 LEU H H 30 8.513 7.581 0.932 1
1 314 . 8 1 1 A 30 30 LEU HA H 30 4.497 4.396 0.101 1
1 324 . 8 1 1 A 30 30 LEU CA C 30 53.980 52.811 1.169 1
1 325 . 8 1 1 A 30 30 LEU CB C 30 40.643 41.613 -0.970 1
1 329 . 8 1 1 A 30 30 LEU N N 30 128.341 124.733 3.608 1
1 330 . 8 1 1 A 31 31 PRO HA H 31 4.329 4.288 0.041 1
1 337 . 8 1 1 A 31 31 PRO CA C 31 65.026 64.707 0.319 1
1 338 . 8 1 1 A 31 31 PRO CB C 31 31.580 32.188 -0.608 1
1 341 . 8 1 1 A 32 32 SER H H 32 8.537 8.124 0.413 1
1 342 . 8 1 1 A 32 32 SER HA H 32 4.287 4.204 0.083 1
1 345 . 8 1 1 A 32 32 SER CA C 32 60.277 61.334 -1.057 1
1 346 . 8 1 1 A 32 32 SER CB C 32 62.277 62.467 -0.190 1
1 347 . 8 1 1 A 32 32 SER N N 32 112.551 111.818 0.733 1
1 348 . 8 1 1 A 33 33 CYS H H 33 7.523 8.069 -0.546 1
1 349 . 8 1 1 A 33 33 CYS HA H 33 4.170 3.915 0.255 1
1 352 . 8 1 1 A 33 33 CYS CA C 33 63.408 62.900 0.508 1
1 353 . 8 1 1 A 33 33 CYS CB C 33 29.503 26.571 2.932 1
1 354 . 8 1 1 A 33 33 CYS N N 33 126.085 120.453 5.632 1
1 355 . 8 1 1 A 34 34 GLN H H 34 8.102 7.848 0.254 1
1 356 . 8 1 1 A 34 34 GLN HA H 34 3.963 3.992 -0.029 1
1 359 . 8 1 1 A 34 34 GLN N N 34 115.711 119.347 -3.636 1
1 361 . 8 1 1 A 35 35 LYS H H 35 8.093 7.669 0.424 1
1 362 . 8 1 1 A 35 35 LYS HA H 35 3.994 4.140 -0.146 1
1 371 . 8 1 1 A 35 35 LYS CA C 35 59.502 59.068 0.434 1
1 372 . 8 1 1 A 35 35 LYS CB C 35 32.273 32.345 -0.072 1
1 376 . 8 1 1 A 35 35 LYS N N 35 117.930 119.892 -1.962 1
1 377 . 8 1 1 A 36 36 MET H H 36 8.237 8.617 -0.380 1
1 378 . 8 1 1 A 36 36 MET HA H 36 4.488 4.056 0.432 1
1 386 . 8 1 1 A 36 36 MET CA C 36 56.725 59.436 -2.711 1
1 387 . 8 1 1 A 36 36 MET CB C 36 30.954 32.801 -1.847 1
1 390 . 8 1 1 A 36 36 MET N N 36 117.062 118.697 -1.635 1
1 391 . 8 1 1 A 37 37 LYS H H 37 9.107 8.065 1.042 1
1 392 . 8 1 1 A 37 37 LYS HA H 37 3.900 3.989 -0.089 1
1 401 . 8 1 1 A 37 37 LYS CA C 37 61.097 59.979 1.118 1
1 402 . 8 1 1 A 37 37 LYS CB C 37 32.947 32.133 0.814 1
1 406 . 8 1 1 A 37 37 LYS N N 37 120.186 118.744 1.442 1
1 407 . 8 1 1 A 38 38 ARG H H 38 7.781 7.881 -0.100 1
1 408 . 8 1 1 A 38 38 ARG HA H 38 4.127 4.098 0.029 1
1 413 . 8 1 1 A 38 38 ARG CA C 38 59.263 59.255 0.008 1
1 414 . 8 1 1 A 38 38 ARG CB C 38 29.965 30.017 -0.052 1
1 416 . 8 1 1 A 38 38 ARG N N 38 118.971 119.321 -0.350 1
1 417 . 8 1 1 A 39 39 VAL H H 39 8.289 7.958 0.331 1
1 418 . 8 1 1 A 39 39 VAL HA H 39 3.539 3.718 -0.179 1
1 426 . 8 1 1 A 39 39 VAL CA C 39 66.989 66.496 0.493 1
1 427 . 8 1 1 A 39 39 VAL CB C 39 31.451 31.633 -0.182 1
1 430 . 8 1 1 A 39 39 VAL N N 39 123.829 120.266 3.563 1
1 431 . 8 1 1 A 40 40 VAL H H 40 8.318 8.208 0.110 1
1 432 . 8 1 1 A 40 40 VAL HA H 40 3.528 3.511 0.017 1
1 440 . 8 1 1 A 40 40 VAL CA C 40 67.050 66.987 0.063 1
1 441 . 8 1 1 A 40 40 VAL CB C 40 31.608 31.603 0.005 1
1 444 . 8 1 1 A 40 40 VAL N N 40 119.665 119.979 -0.314 1
1 445 . 8 1 1 A 41 41 GLN H H 41 8.263 8.447 -0.184 1
1 446 . 8 1 1 A 41 41 GLN HA H 41 3.974 3.920 0.054 1
1 453 . 8 1 1 A 41 41 GLN CA C 41 58.571 59.197 -0.626 1
1 454 . 8 1 1 A 41 41 GLN CB C 41 28.018 28.208 -0.190 1
1 456 . 8 1 1 A 41 41 GLN N N 41 118.450 118.114 0.336 1
1 458 . 8 1 1 A 42 42 HIS H H 42 8.309 8.102 0.207 1
1 459 . 8 1 1 A 42 42 HIS HA H 42 4.215 4.319 -0.104 1
1 463 . 8 1 1 A 42 42 HIS CA C 42 59.402 59.455 -0.053 1
1 464 . 8 1 1 A 42 42 HIS CB C 42 26.966 30.487 -3.521 1
1 466 . 8 1 1 A 42 42 HIS N N 42 118.971 119.796 -0.825 1
1 467 . 8 1 1 A 43 43 THR H H 43 8.056 8.101 -0.045 1
1 468 . 8 1 1 A 43 43 THR HA H 43 3.929 3.703 0.226 1
1 474 . 8 1 1 A 43 43 THR CA C 43 66.101 66.786 -0.685 1
1 475 . 8 1 1 A 43 43 THR CB C 43 69.107 68.306 0.801 1
1 477 . 8 1 1 A 43 43 THR N N 43 114.320 113.034 1.286 1
1 478 . 8 1 1 A 44 44 LYS H H 44 7.531 7.948 -0.417 1
1 479 . 8 1 1 A 44 44 LYS HA H 44 4.085 4.101 -0.016 1
1 488 . 8 1 1 A 44 44 LYS CA C 44 58.682 58.608 0.074 1
1 489 . 8 1 1 A 44 44 LYS CB C 44 32.024 32.432 -0.408 1
1 493 . 8 1 1 A 44 44 LYS N N 44 120.012 119.154 0.858 1
1 494 . 8 1 1 A 45 45 GLY H H 45 7.143 7.734 -0.591 1
1 495 . 8 1 1 A 45 45 GLY HA2 H 45 3.625 4.047 -0.422 1
1 496 . 8 1 1 A 45 45 GLY HA3 H 45 4.387 4.056 0.331 1
1 497 . 8 1 1 A 45 45 GLY CA C 45 44.289 45.512 -1.223 1
1 498 . 8 1 1 A 45 45 GLY N N 45 103.528 106.480 -2.952 1
1 499 . 8 1 1 A 46 46 CYS H H 46 6.988 7.588 -0.600 1
1 500 . 8 1 1 A 46 46 CYS HA H 46 3.955 4.337 -0.382 1
1 503 . 8 1 1 A 46 46 CYS CA C 46 60.654 59.395 1.259 1
1 504 . 8 1 1 A 46 46 CYS CB C 46 29.793 28.461 1.332 1
1 505 . 8 1 1 A 46 46 CYS N N 46 123.656 120.228 3.428 1
1 506 . 8 1 1 A 47 47 LYS H H 47 9.060 9.316 -0.256 1
1 507 . 8 1 1 A 47 47 LYS HA H 47 4.489 4.419 0.070 1
1 516 . 8 1 1 A 47 47 LYS CA C 47 56.127 57.209 -1.082 1
1 517 . 8 1 1 A 47 47 LYS CB C 47 32.393 32.773 -0.380 1
1 521 . 8 1 1 A 47 47 LYS N N 47 127.820 126.824 0.996 1
1 522 . 8 1 1 A 48 48 ARG H H 48 8.537 7.650 0.887 1
1 523 . 8 1 1 A 48 48 ARG HA H 48 4.330 4.530 -0.200 1
1 530 . 8 1 1 A 48 48 ARG CA C 48 57.648 56.658 0.990 1
1 531 . 8 1 1 A 48 48 ARG CB C 48 31.810 32.324 -0.514 1
1 534 . 8 1 1 A 48 48 ARG N N 48 122.615 114.689 7.926 1
1 535 . 8 1 1 A 49 49 LYS H H 49 8.522 8.093 0.429 1
1 536 . 8 1 1 A 49 49 LYS HA H 49 4.554 4.313 0.241 1
1 545 . 8 1 1 A 49 49 LYS CA C 49 57.417 57.184 0.233 1
1 546 . 8 1 1 A 49 49 LYS CB C 49 31.543 31.866 -0.323 1
1 550 . 8 1 1 A 49 49 LYS N N 49 117.583 119.835 -2.252 1
1 551 . 8 1 1 A 50 50 THR H H 50 7.992 8.812 -0.820 1
1 552 . 8 1 1 A 50 50 THR HA H 50 4.127 3.938 0.189 1
1 557 . 8 1 1 A 50 50 THR CA C 50 63.985 65.635 -1.650 1
1 558 . 8 1 1 A 50 50 THR CB C 50 68.157 68.168 -0.011 1
1 560 . 8 1 1 A 50 50 THR N N 50 113.245 113.460 -0.215 1
1 561 . 8 1 1 A 51 51 ASN H H 51 8.888 8.262 0.626 1
1 562 . 8 1 1 A 51 51 ASN HA H 51 4.665 4.424 0.241 1
1 567 . 8 1 1 A 51 51 ASN CA C 51 54.159 56.180 -2.021 1
1 568 . 8 1 1 A 51 51 ASN CB C 51 37.857 38.295 -0.438 1
1 570 . 8 1 1 A 52 52 GLY H H 52 7.972 8.015 -0.043 1
1 571 . 8 1 1 A 52 52 GLY HA2 H 52 3.893 3.933 -0.040 1
1 572 . 8 1 1 A 52 52 GLY HA3 H 52 4.101 3.938 0.163 1
1 573 . 8 1 1 A 52 52 GLY CA C 52 45.368 45.716 -0.348 1
1 574 . 8 1 1 A 52 52 GLY N N 52 106.651 105.655 0.996 1
1 575 . 8 1 1 A 53 53 GLY H H 53 7.765 8.002 -0.237 1
1 576 . 8 1 1 A 53 53 GLY HA2 H 53 3.837 4.069 -0.232 1
1 577 . 8 1 1 A 53 53 GLY HA3 H 53 4.079 4.069 0.010 1
1 578 . 8 1 1 A 53 53 GLY CA C 53 45.227 44.909 0.318 1
1 579 . 8 1 1 A 53 53 GLY N N 53 107.519 106.686 0.833 1
1 580 . 8 1 1 A 54 54 CYS H H 54 8.099 7.996 0.103 1
1 581 . 8 1 1 A 54 54 CYS HA H 54 4.720 4.535 0.185 1
1 584 . 8 1 1 A 54 54 CYS CA C 54 55.572 57.473 -1.901 1
1 585 . 8 1 1 A 54 54 CYS CB C 54 30.216 28.724 1.492 1
1 586 . 8 1 1 A 54 54 CYS N N 54 122.615 119.675 2.940 1
1 587 . 8 1 1 A 55 55 PRO HA H 55 4.237 4.487 -0.250 1
1 594 . 8 1 1 A 55 55 PRO CA C 55 64.757 63.894 0.863 1
1 595 . 8 1 1 A 55 55 PRO CB C 55 32.311 32.016 0.295 1
1 598 . 8 1 1 A 56 56 VAL H H 56 7.645 6.875 0.770 1
1 599 . 8 1 1 A 56 56 VAL HA H 56 3.384 3.791 -0.407 1
1 607 . 8 1 1 A 56 56 VAL CA C 56 66.184 65.298 0.886 1
1 608 . 8 1 1 A 56 56 VAL CB C 56 32.502 31.812 0.690 1
1 611 . 8 1 1 A 56 56 VAL N N 56 121.227 116.430 4.797 1
1 612 . 8 1 1 A 57 57 CYS H H 57 8.565 8.020 0.545 1
1 613 . 8 1 1 A 57 57 CYS HA H 57 4.034 4.149 -0.115 1
1 616 . 8 1 1 A 57 57 CYS CA C 57 65.746 63.772 1.974 1
1 617 . 8 1 1 A 57 57 CYS CB C 57 29.273 27.320 1.953 1
1 618 . 8 1 1 A 57 57 CYS N N 57 122.615 117.892 4.723 1
1 619 . 8 1 1 A 58 58 LYS H H 58 7.956 7.601 0.355 1
1 620 . 8 1 1 A 58 58 LYS HA H 58 3.874 3.876 -0.002 1
1 629 . 8 1 1 A 58 58 LYS CA C 58 59.955 59.130 0.825 1
1 630 . 8 1 1 A 58 58 LYS CB C 58 32.272 31.957 0.315 1
1 634 . 8 1 1 A 58 58 LYS N N 58 116.889 121.203 -4.314 1
1 635 . 8 1 1 A 59 59 GLN H H 59 7.359 7.987 -0.628 1
1 636 . 8 1 1 A 59 59 GLN HA H 59 3.789 4.048 -0.259 1
1 643 . 8 1 1 A 59 59 GLN CA C 59 60.647 58.397 2.250 1
1 644 . 8 1 1 A 59 59 GLN CB C 59 27.196 28.543 -1.347 1
1 646 . 8 1 1 A 59 59 GLN N N 59 116.889 118.539 -1.650 1
1 648 . 8 1 1 A 60 60 LEU H H 60 8.303 7.649 0.654 1
1 649 . 8 1 1 A 60 60 LEU HA H 60 4.093 3.961 0.132 1
1 659 . 8 1 1 A 60 60 LEU CA C 60 58.110 57.854 0.256 1
1 660 . 8 1 1 A 60 60 LEU CB C 60 40.807 41.613 -0.806 1
1 664 . 8 1 1 A 60 60 LEU N N 60 118.103 119.528 -1.425 1
1 665 . 8 1 1 A 61 61 ILE H H 61 8.804 7.618 1.186 1
1 666 . 8 1 1 A 61 61 ILE HA H 61 3.801 3.407 0.394 1
1 676 . 8 1 1 A 61 61 ILE CA C 61 63.416 65.638 -2.222 1
1 677 . 8 1 1 A 61 61 ILE CB C 61 36.886 37.435 -0.549 1
1 681 . 8 1 1 A 61 61 ILE N N 61 118.624 119.206 -0.582 1
1 682 . 8 1 1 A 62 62 ALA H H 62 7.796 7.796 0.000 1
1 683 . 8 1 1 A 62 62 ALA HA H 62 4.058 4.099 -0.041 1
1 687 . 8 1 1 A 62 62 ALA CA C 62 56.030 55.324 0.706 1
1 688 . 8 1 1 A 62 62 ALA CB C 62 18.068 18.492 -0.424 1
1 689 . 8 1 1 A 62 62 ALA N N 62 124.003 121.832 2.171 1
1 690 . 8 1 1 A 63 63 LEU H H 63 8.011 7.600 0.411 1
1 691 . 8 1 1 A 63 63 LEU HA H 63 4.077 4.063 0.014 1
1 701 . 8 1 1 A 63 63 LEU CA C 63 58.110 57.842 0.268 1
1 702 . 8 1 1 A 63 63 LEU CB C 63 42.116 41.340 0.776 1
1 706 . 8 1 1 A 63 63 LEU N N 63 117.583 119.491 -1.908 1
1 707 . 8 1 1 A 64 64 CYS H H 64 8.818 8.455 0.363 1
1 708 . 8 1 1 A 64 64 CYS HA H 64 4.053 4.288 -0.235 1
1 711 . 8 1 1 A 64 64 CYS CA C 64 64.800 62.804 1.996 1
1 712 . 8 1 1 A 64 64 CYS CB C 64 26.504 26.981 -0.477 1
1 713 . 8 1 1 A 64 64 CYS N N 64 118.277 117.045 1.232 1
1 714 . 8 1 1 A 65 65 CYS H H 65 8.793 8.610 0.183 1
1 715 . 8 1 1 A 65 65 CYS HA H 65 4.258 4.106 0.152 1
1 718 . 8 1 1 A 65 65 CYS CA C 65 63.646 63.874 -0.228 1
1 719 . 8 1 1 A 65 65 CYS CB C 65 26.966 26.621 0.345 1
1 720 . 8 1 1 A 65 65 CYS N N 65 118.971 119.324 -0.353 1
1 721 . 8 1 1 A 66 66 TYR H H 66 8.369 8.450 -0.081 1
1 722 . 8 1 1 A 66 66 TYR HA H 66 4.034 4.253 -0.219 1
1 729 . 8 1 1 A 66 66 TYR CA C 66 60.886 61.537 -0.651 1
1 730 . 8 1 1 A 66 66 TYR CB C 66 37.808 39.002 -1.194 1
1 733 . 8 1 1 A 66 66 TYR N N 66 121.574 122.435 -0.861 1
1 734 . 8 1 1 A 67 67 HIS H H 67 8.633 8.128 0.505 1
1 735 . 8 1 1 A 67 67 HIS HA H 67 4.318 4.304 0.014 1
1 740 . 8 1 1 A 67 67 HIS CA C 67 58.998 59.505 -0.507 1
1 741 . 8 1 1 A 67 67 HIS CB C 67 27.409 30.305 -2.896 1
1 744 . 8 1 1 A 67 67 HIS N N 67 117.409 119.227 -1.818 1
1 745 . 8 1 1 A 68 68 ALA H H 68 8.725 8.937 -0.212 1
1 746 . 8 1 1 A 68 68 ALA HA H 68 4.019 3.930 0.089 1
1 750 . 8 1 1 A 68 68 ALA CA C 68 54.690 55.315 -0.625 1
1 751 . 8 1 1 A 68 68 ALA CB C 68 19.964 18.549 1.415 1
1 752 . 8 1 1 A 68 68 ALA N N 68 122.094 120.900 1.194 1
1 753 . 8 1 1 A 69 69 LYS H H 69 7.362 8.030 -0.668 1
1 754 . 8 1 1 A 69 69 LYS HA H 69 3.736 3.845 -0.109 1
1 763 . 8 1 1 A 69 69 LYS CA C 69 58.137 59.249 -1.112 1
1 764 . 8 1 1 A 69 69 LYS CB C 69 32.224 32.181 0.043 1
1 768 . 8 1 1 A 69 69 LYS N N 69 114.807 117.917 -3.110 1
1 769 . 8 1 1 A 70 70 HIS H H 70 7.011 7.520 -0.509 1
1 770 . 8 1 1 A 70 70 HIS HA H 70 4.697 4.415 0.282 1
1 774 . 8 1 1 A 70 70 HIS CA C 70 54.835 57.846 -3.011 1
1 775 . 8 1 1 A 70 70 HIS CB C 70 30.477 31.020 -0.543 1
1 777 . 8 1 1 A 70 70 HIS N N 70 112.898 113.292 -0.394 1
1 778 . 8 1 1 A 71 71 CYS H H 71 7.012 7.355 -0.343 1
1 779 . 8 1 1 A 71 71 CYS HA H 71 4.032 4.173 -0.141 1
1 782 . 8 1 1 A 71 71 CYS CA C 71 59.948 60.086 -0.138 1
1 783 . 8 1 1 A 71 71 CYS CB C 71 29.752 27.914 1.838 1
1 784 . 8 1 1 A 71 71 CYS N N 71 123.829 118.123 5.706 1
1 785 . 8 1 1 A 72 72 GLN H H 72 9.181 8.797 0.384 1
1 786 . 8 1 1 A 72 72 GLN HA H 72 4.674 4.571 0.103 1
1 793 . 8 1 1 A 72 72 GLN CA C 72 54.224 55.524 -1.300 1
1 794 . 8 1 1 A 72 72 GLN CB C 72 29.049 30.057 -1.008 1
1 796 . 8 1 1 A 72 72 GLN N N 72 128.341 122.787 5.554 1
1 798 . 8 1 1 A 73 73 GLU H H 73 8.396 7.273 1.123 1
1 799 . 8 1 1 A 73 73 GLU HA H 73 4.389 4.398 -0.009 1
1 804 . 8 1 1 A 73 73 GLU CA C 73 55.341 56.521 -1.180 1
1 805 . 8 1 1 A 73 73 GLU CB C 73 30.239 31.077 -0.838 1
1 807 . 8 1 1 A 73 73 GLU N N 73 123.309 122.798 0.511 1
1 808 . 8 1 1 A 74 74 ASN H H 74 8.921 9.133 -0.212 1
1 809 . 8 1 1 A 74 74 ASN HA H 74 4.538 5.008 -0.470 1
1 814 . 8 1 1 A 74 74 ASN CA C 74 54.666 53.232 1.434 1
1 815 . 8 1 1 A 74 74 ASN CB C 74 38.301 39.637 -1.336 1
1 816 . 8 1 1 A 74 74 ASN N N 74 124.870 122.096 2.774 1
1 818 . 8 1 1 A 75 75 LYS H H 75 8.847 7.840 1.007 1
1 819 . 8 1 1 A 75 75 LYS HA H 75 4.442 4.673 -0.231 1
1 828 . 8 1 1 A 75 75 LYS CA C 75 54.327 55.216 -0.889 1
1 829 . 8 1 1 A 75 75 LYS CB C 75 30.837 32.945 -2.108 1
1 833 . 8 1 1 A 75 75 LYS N N 75 121.574 116.964 4.610 1
1 834 . 8 1 1 A 76 76 CYS H H 76 7.191 7.345 -0.154 1
1 835 . 8 1 1 A 76 76 CYS HA H 76 4.389 4.402 -0.013 1
1 838 . 8 1 1 A 76 76 CYS CA C 76 57.270 57.630 -0.360 1
1 839 . 8 1 1 A 76 76 CYS CB C 76 30.613 28.296 2.317 1
1 840 . 8 1 1 A 76 76 CYS N N 76 124.350 121.395 2.955 1
1 841 . 8 1 1 A 77 77 PRO HA H 77 4.673 4.440 0.233 1
1 848 . 8 1 1 A 77 77 PRO CA C 77 62.878 64.379 -1.501 1
1 849 . 8 1 1 A 77 77 PRO CB C 77 31.950 31.976 -0.026 1
1 852 . 8 1 1 A 78 78 VAL H H 78 8.974 7.743 1.231 1
1 853 . 8 1 1 A 78 78 VAL HA H 78 4.187 4.185 0.002 1
1 861 . 8 1 1 A 78 78 VAL CA C 78 61.637 61.361 0.276 1
1 862 . 8 1 1 A 78 78 VAL CB C 78 31.654 32.312 -0.658 1
1 865 . 8 1 1 A 78 78 VAL N N 78 128.688 119.543 9.145 1
1 866 . 8 1 1 A 79 79 PRO HA H 79 3.938 4.274 -0.336 1
1 873 . 8 1 1 A 79 79 PRO CA C 79 63.962 64.959 -0.997 1
1 874 . 8 1 1 A 79 79 PRO CB C 79 30.887 31.947 -1.060 1
1 877 . 8 1 1 A 80 80 PHE HA H 80 4.350 4.326 0.024 1
1 884 . 8 1 1 A 80 80 PHE CA C 80 59.032 59.965 -0.933 1
1 885 . 8 1 1 A 80 80 PHE CB C 80 37.686 39.406 -1.720 1
1 888 . 8 1 1 A 81 81 CYS H H 81 7.686 8.301 -0.615 1
1 889 . 8 1 1 A 81 81 CYS HA H 81 4.001 4.123 -0.122 1
1 892 . 8 1 1 A 81 81 CYS CA C 81 64.779 62.464 2.315 1
1 893 . 8 1 1 A 81 81 CYS CB C 81 29.524 26.707 2.817 1
1 894 . 8 1 1 A 81 81 CYS N N 81 124.176 118.686 5.490 1
1 895 . 8 1 1 A 82 82 LEU H H 82 8.267 8.241 0.026 1
1 896 . 8 1 1 A 82 82 LEU HA H 82 4.010 3.657 0.353 1
1 906 . 8 1 1 A 82 82 LEU CA C 82 58.340 57.866 0.474 1
1 907 . 8 1 1 A 82 82 LEU CB C 82 40.862 41.164 -0.302 1
1 911 . 8 1 1 A 82 82 LEU N N 82 114.980 121.238 -6.258 1
1 912 . 8 1 1 A 83 83 ASN H H 83 7.917 8.114 -0.197 1
1 913 . 8 1 1 A 83 83 ASN HA H 83 4.490 4.502 -0.012 1
1 918 . 8 1 1 A 83 83 ASN CA C 83 56.061 56.509 -0.448 1
1 919 . 8 1 1 A 83 83 ASN CB C 83 38.494 38.448 0.046 1
1 920 . 8 1 1 A 83 83 ASN N N 83 116.542 116.900 -0.358 1
1 922 . 8 1 1 A 84 84 ILE H H 84 8.788 8.178 0.610 1
1 923 . 8 1 1 A 84 84 ILE HA H 84 3.734 3.809 -0.075 1
1 933 . 8 1 1 A 84 84 ILE CA C 84 65.142 64.821 0.321 1
1 934 . 8 1 1 A 84 84 ILE CB C 84 38.039 37.752 0.287 1
1 938 . 8 1 1 A 84 84 ILE N N 84 121.747 120.430 1.317 1
1 939 . 8 1 1 A 85 85 LYS H H 85 8.954 8.482 0.472 1
1 940 . 8 1 1 A 85 85 LYS HA H 85 3.839 3.975 -0.136 1
1 949 . 8 1 1 A 85 85 LYS CA C 85 60.936 59.453 1.483 1
1 950 . 8 1 1 A 85 85 LYS CB C 85 32.041 32.158 -0.117 1
1 954 . 8 1 1 A 85 85 LYS N N 85 119.665 120.667 -1.002 1
1 955 . 8 1 1 A 86 86 HIS H H 86 8.043 8.043 0.000 1
1 956 . 8 1 1 A 86 86 HIS HA H 86 4.411 4.316 0.095 1
1 960 . 8 1 1 A 86 86 HIS CA C 86 58.746 59.305 -0.559 1
1 961 . 8 1 1 A 86 86 HIS CB C 86 30.067 29.625 0.442 1
1 963 . 8 1 1 A 86 86 HIS N N 86 116.542 118.188 -1.646 1
1 964 . 8 1 1 A 87 87 LYS H H 87 7.822 7.952 -0.130 1
1 965 . 8 1 1 A 87 87 LYS HA H 87 4.158 4.134 0.024 1
1 968 . 8 1 1 A 87 87 LYS CA C 87 57.879 59.166 -1.287 1
1 969 . 8 1 1 A 87 87 LYS N N 87 119.318 119.172 0.146 1
1 970 . 8 1 1 A 88 88 LEU H H 88 8.405 8.434 -0.029 1
1 971 . 8 1 1 A 88 88 LEU HA H 88 4.194 3.957 0.237 1
1 981 . 8 1 1 A 88 88 LEU CA C 88 56.289 58.037 -1.748 1
1 982 . 8 1 1 A 88 88 LEU CB C 88 41.692 41.619 0.073 1
1 986 . 8 1 1 A 88 88 LEU N N 88 119.144 120.273 -1.129 1
1 987 . 8 1 1 A 89 89 ARG H H 89 7.826 8.380 -0.554 1
1 988 . 8 1 1 A 89 89 ARG HA H 89 4.271 4.055 0.216 1
1 995 . 8 1 1 A 89 89 ARG CA C 89 56.666 59.192 -2.526 1
1 996 . 8 1 1 A 89 89 ARG CB C 89 29.965 29.795 0.170 1
1 999 . 8 1 1 A 89 89 ARG N N 89 118.450 118.860 -0.410 1
1 1000 . 8 1 1 A 90 90 GLN H H 90 7.935 7.353 0.582 1
1 1001 . 8 1 1 A 90 90 GLN HA H 90 4.270 4.351 -0.081 1
1 1008 . 8 1 1 A 90 90 GLN CA C 90 55.840 57.695 -1.855 1
1 1009 . 8 1 1 A 90 90 GLN CB C 90 28.989 29.350 -0.361 1
1 1011 . 8 1 1 A 90 90 GLN N N 90 119.318 116.623 2.695 1
1 1013 . 8 1 1 A 91 91 GLN H H 91 8.141 7.909 0.232 1
1 1014 . 8 1 1 A 91 91 GLN HA H 91 4.352 4.470 -0.118 1
1 1021 . 8 1 1 A 91 91 GLN CA C 91 55.581 56.077 -0.496 1
1 1022 . 8 1 1 A 91 91 GLN CB C 91 29.284 29.732 -0.448 1
1 1024 . 8 1 1 A 91 91 GLN N N 91 120.706 117.303 3.403 1
1 1043 . 8 2 2 B 2 2 SER CB C 707 63.646 63.502 0.144 1
1 1044 . 8 2 2 B 3 3 HIS HA H 708 4.663 4.505 0.158 1
1 1047 . 8 2 2 B 3 3 HIS CA C 708 56.033 58.133 -2.100 1
1 1048 . 8 2 2 B 3 3 HIS CB C 708 30.146 28.405 1.741 1
1 1053 . 8 2 2 B 5 5 SER H H 710 8.437 8.538 -0.101 1
1 1054 . 8 2 2 B 5 5 SER HA H 710 4.429 4.306 0.123 1
1 1057 . 8 2 2 B 5 5 SER CA C 710 58.340 60.682 -2.342 1
1 1058 . 8 2 2 B 5 5 SER CB C 710 63.416 62.813 0.603 1
1 1059 . 8 2 2 B 5 5 SER N N 710 117.160 113.656 3.504 1
1 1060 . 8 2 2 B 6 6 GLU H H 711 8.458 8.205 0.253 1
1 1061 . 8 2 2 B 6 6 GLU HA H 711 4.311 4.579 -0.268 1
1 1066 . 8 2 2 B 6 6 GLU CA C 711 56.033 55.728 0.305 1
1 1067 . 8 2 2 B 6 6 GLU CB C 711 30.223 30.871 -0.648 1
1 1069 . 8 2 2 B 6 6 GLU N N 711 123.053 117.531 5.522 1
1 1070 . 8 2 2 B 7 7 VAL H H 712 8.150 7.062 1.088 1
1 1071 . 8 2 2 B 7 7 VAL HA H 712 4.050 3.945 0.105 1
1 1079 . 8 2 2 B 7 7 VAL CA C 712 61.801 62.491 -0.690 1
1 1080 . 8 2 2 B 7 7 VAL CB C 712 32.041 32.274 -0.233 1
1 1083 . 8 2 2 B 7 7 VAL N N 712 121.173 119.004 2.169 1
1 1084 . 8 2 2 B 8 8 HIS H H 713 8.495 8.681 -0.186 1
1 1085 . 8 2 2 B 8 8 HIS HA H 713 4.914 5.048 -0.134 1
1 1089 . 8 2 2 B 8 8 HIS CA C 713 53.945 52.356 1.589 1
1 1090 . 8 2 2 B 8 8 HIS CB C 713 30.218 29.411 0.807 1
1 1092 . 8 2 2 B 8 8 HIS N N 713 125.310 120.528 4.782 1
1 1093 . 8 2 2 B 9 9 PRO HA H 714 4.430 4.660 -0.230 1
1 1100 . 8 2 2 B 9 9 PRO CA C 714 63.409 62.545 0.864 1
1 1101 . 8 2 2 B 9 9 PRO CB C 714 32.018 33.513 -1.495 1
1 1104 . 8 2 2 B 10 10 SER H H 715 8.889 8.357 0.532 1
1 1105 . 8 2 2 B 10 10 SER HA H 715 4.437 4.759 -0.322 1
1 1108 . 8 2 2 B 10 10 SER CA C 715 58.571 57.686 0.885 1
1 1109 . 8 2 2 B 10 10 SER CB C 715 63.213 64.567 -1.354 1
1 1110 . 8 2 2 B 10 10 SER N N 715 116.533 112.425 4.108 1
1 1111 . 8 2 2 B 11 11 ARG H H 716 8.442 7.387 1.055 1
1 1112 . 8 2 2 B 11 11 ARG HA H 716 4.388 4.883 -0.495 1
1 1119 . 8 2 2 B 11 11 ARG CA C 716 55.882 54.019 1.863 1
1 1120 . 8 2 2 B 11 11 ARG CB C 716 30.395 33.703 -3.308 1
1 1123 . 8 2 2 B 11 11 ARG N N 716 122.803 119.840 2.963 1
1 1124 . 8 2 2 B 12 12 LEU H H 717 8.133 8.770 -0.637 1
1 1125 . 8 2 2 B 12 12 LEU HA H 717 4.356 4.158 0.198 1
1 1135 . 8 2 2 B 12 12 LEU CA C 717 54.880 56.243 -1.363 1
1 1136 . 8 2 2 B 12 12 LEU CB C 717 42.081 41.364 0.717 1
1 1140 . 8 2 2 B 12 12 LEU N N 717 122.552 122.834 -0.282 1
1 1141 . 8 2 2 B 13 13 GLN H H 718 8.440 7.911 0.529 1
1 1142 . 8 2 2 B 13 13 GLN HA H 718 4.454 4.313 0.141 1
1 1149 . 8 2 2 B 13 13 GLN CA C 718 55.341 57.073 -1.732 1
1 1150 . 8 2 2 B 13 13 GLN CB C 718 29.285 28.986 0.299 1
1 1152 . 8 2 2 B 13 13 GLN N N 718 121.298 116.882 4.416 1
1 1154 . 8 2 2 B 14 14 THR H H 719 8.257 7.084 1.173 1
1 1155 . 8 2 2 B 14 14 THR HA H 719 4.438 4.216 0.222 1
1 1160 . 8 2 2 B 14 14 THR CA C 719 61.339 63.699 -2.360 1
1 1161 . 8 2 2 B 14 14 THR CB C 719 69.456 69.393 0.063 1
1 1163 . 8 2 2 B 14 14 THR N N 719 115.154 116.965 -1.811 1
1 1164 . 8 2 2 B 15 15 THR H H 720 8.240 8.491 -0.251 1
1 1165 . 8 2 2 B 15 15 THR HA H 720 4.275 4.324 -0.049 1
1 1170 . 8 2 2 B 15 15 THR CA C 720 61.967 62.331 -0.364 1
1 1171 . 8 2 2 B 15 15 THR CB C 720 69.183 69.045 0.138 1
1 1173 . 8 2 2 B 15 15 THR N N 720 115.029 117.789 -2.760 1
1 1174 . 8 2 2 B 16 16 ASP H H 721 8.293 8.626 -0.333 1
1 1175 . 8 2 2 B 16 16 ASP HA H 721 4.494 4.999 -0.505 1
1 1178 . 8 2 2 B 16 16 ASP CA C 721 54.880 53.364 1.516 1
1 1179 . 8 2 2 B 16 16 ASP CB C 721 40.891 42.223 -1.332 1
1 1180 . 8 2 2 B 16 16 ASP N N 721 122.427 121.979 0.448 1
1 1181 . 8 2 2 B 17 17 ASN H H 722 8.272 8.014 0.258 1
1 1182 . 8 2 2 B 17 17 ASN HA H 722 4.577 4.985 -0.408 1
1 1187 . 8 2 2 B 17 17 ASN CA C 722 53.330 52.194 1.136 1
1 1188 . 8 2 2 B 17 17 ASN CB C 722 38.332 39.470 -1.138 1
1 1189 . 8 2 2 B 17 17 ASN N N 722 118.916 117.685 1.231 1
1 1191 . 8 2 2 B 18 18 LEU H H 723 8.204 7.710 0.494 1
1 1192 . 8 2 2 B 18 18 LEU HA H 723 4.191 4.186 0.005 1
1 1202 . 8 2 2 B 18 18 LEU CA C 723 54.200 56.755 -2.555 1
1 1203 . 8 2 2 B 18 18 LEU CB C 723 43.545 41.337 2.208 1
1 1207 . 8 2 2 B 18 18 LEU N N 723 121.173 119.114 2.059 1
1 1208 . 8 2 2 B 19 19 LEU H H 724 7.416 7.492 -0.076 1
1 1209 . 8 2 2 B 19 19 LEU HA H 724 4.273 4.340 -0.067 1
1 1219 . 8 2 2 B 19 19 LEU CA C 724 52.415 53.960 -1.545 1
1 1220 . 8 2 2 B 19 19 LEU CB C 724 40.471 42.198 -1.727 1
1 1224 . 8 2 2 B 19 19 LEU N N 724 117.286 121.793 -4.507 1
1 1225 . 8 2 2 B 20 20 PRO HA H 725 4.271 4.516 -0.245 1
1 1232 . 8 2 2 B 20 20 PRO CA C 725 63.877 64.166 -0.289 1
1 1233 . 8 2 2 B 20 20 PRO CB C 725 32.716 31.953 0.763 1
1 1236 . 8 2 2 B 21 21 MET H H 726 8.932 7.569 1.363 1
1 1237 . 8 2 2 B 21 21 MET HA H 726 4.841 4.824 0.017 1
1 1245 . 8 2 2 B 21 21 MET CA C 726 54.199 54.397 -0.198 1
1 1246 . 8 2 2 B 21 21 MET CB C 726 36.939 36.017 0.922 1
1 1249 . 8 2 2 B 21 21 MET N N 726 116.784 118.430 -1.646 1
1 1250 . 8 2 2 B 22 22 SER H H 727 8.956 8.849 0.107 1
1 1251 . 8 2 2 B 22 22 SER HA H 727 4.771 5.077 -0.306 1
1 1254 . 8 2 2 B 22 22 SER CA C 727 56.255 56.440 -0.185 1
1 1255 . 8 2 2 B 22 22 SER CB C 727 62.528 63.495 -0.967 1
1 1256 . 8 2 2 B 22 22 SER N N 727 119.167 116.637 2.530 1
1 1257 . 8 2 2 B 23 23 PRO HA H 728 4.312 4.279 0.033 1
1 1264 . 8 2 2 B 23 23 PRO CA C 728 65.953 65.621 0.332 1
1 1265 . 8 2 2 B 23 23 PRO CB C 728 31.810 31.845 -0.035 1
1 1268 . 8 2 2 B 24 24 GLU H H 729 8.877 8.502 0.375 1
1 1269 . 8 2 2 B 24 24 GLU HA H 729 4.163 4.059 0.104 1
1 1274 . 8 2 2 B 24 24 GLU CA C 729 59.748 59.768 -0.020 1
1 1275 . 8 2 2 B 24 24 GLU CB C 729 28.819 28.974 -0.155 1
1 1277 . 8 2 2 B 24 24 GLU N N 729 116.283 117.887 -1.604 1
1 1278 . 8 2 2 B 25 25 GLU H H 730 7.789 7.489 0.300 1
1 1279 . 8 2 2 B 25 25 GLU HA H 730 3.787 4.024 -0.237 1
1 1284 . 8 2 2 B 25 25 GLU CA C 730 59.266 58.836 0.430 1
1 1285 . 8 2 2 B 25 25 GLU CB C 730 29.501 29.763 -0.262 1
1 1287 . 8 2 2 B 25 25 GLU N N 730 121.298 120.396 0.902 1
1 1288 . 8 2 2 B 26 26 PHE H H 731 8.730 8.554 0.176 1
1 1289 . 8 2 2 B 26 26 PHE HA H 731 4.364 4.160 0.204 1
1 1296 . 8 2 2 B 26 26 PHE CA C 731 59.724 61.436 -1.712 1
1 1297 . 8 2 2 B 26 26 PHE CB C 731 38.230 39.405 -1.175 1
1 1300 . 8 2 2 B 26 26 PHE N N 731 119.543 121.475 -1.932 1
1 1301 . 8 2 2 B 27 27 ASP H H 732 8.587 8.331 0.256 1
1 1302 . 8 2 2 B 27 27 ASP HA H 732 4.097 4.358 -0.261 1
1 1305 . 8 2 2 B 27 27 ASP CA C 732 57.256 58.022 -0.766 1
1 1306 . 8 2 2 B 27 27 ASP CB C 732 40.421 41.526 -1.105 1
1 1307 . 8 2 2 B 27 27 ASP N N 732 121.549 118.505 3.044 1
1 1308 . 8 2 2 B 28 28 GLU H H 733 7.383 7.724 -0.341 1
1 1309 . 8 2 2 B 28 28 GLU HA H 733 4.155 4.091 0.064 1
1 1314 . 8 2 2 B 28 28 GLU CA C 733 58.749 58.780 -0.031 1
1 1315 . 8 2 2 B 28 28 GLU CB C 733 28.933 29.148 -0.215 1
1 1317 . 8 2 2 B 28 28 GLU N N 733 119.793 119.683 0.110 1
1 1318 . 8 2 2 B 29 29 VAL H H 734 8.246 7.683 0.563 1
1 1319 . 8 2 2 B 29 29 VAL HA H 734 3.595 3.443 0.152 1
1 1327 . 8 2 2 B 29 29 VAL CA C 734 66.219 66.174 0.045 1
1 1328 . 8 2 2 B 29 29 VAL CB C 734 31.362 31.564 -0.202 1
1 1331 . 8 2 2 B 29 29 VAL N N 734 118.540 121.059 -2.519 1
1 1332 . 8 2 2 B 30 30 SER H H 735 8.384 8.398 -0.014 1
1 1333 . 8 2 2 B 30 30 SER HA H 735 3.912 3.833 0.079 1
1 1336 . 8 2 2 B 30 30 SER CA C 735 61.703 62.540 -0.837 1
1 1337 . 8 2 2 B 30 30 SER CB C 735 62.059 62.591 -0.532 1
1 1338 . 8 2 2 B 30 30 SER N N 735 115.154 114.509 0.645 1
1 1339 . 8 2 2 B 31 31 ARG H H 736 7.683 7.889 -0.206 1
1 1340 . 8 2 2 B 31 31 ARG HA H 736 4.027 4.082 -0.055 1
1 1348 . 8 2 2 B 31 31 ARG CA C 736 58.571 58.380 0.191 1
1 1349 . 8 2 2 B 31 31 ARG CB C 736 30.068 29.794 0.274 1
1 1352 . 8 2 2 B 31 31 ARG N N 736 121.549 120.786 0.763 1
1 1354 . 8 2 2 B 32 32 ILE H H 737 7.703 7.215 0.488 1
1 1355 . 8 2 2 B 32 32 ILE HA H 737 3.859 3.899 -0.040 1
1 1365 . 8 2 2 B 32 32 ILE CA C 737 63.445 63.884 -0.439 1
1 1366 . 8 2 2 B 32 32 ILE CB C 737 38.332 38.026 0.306 1
1 1370 . 8 2 2 B 32 32 ILE N N 737 119.167 119.771 -0.604 1
1 1371 . 8 2 2 B 33 33 VAL H H 738 8.293 7.850 0.443 1
1 1372 . 8 2 2 B 33 33 VAL HA H 738 3.901 3.767 0.134 1
1 1380 . 8 2 2 B 33 33 VAL CA C 738 63.805 65.394 -1.589 1
1 1381 . 8 2 2 B 33 33 VAL CB C 738 32.408 31.740 0.668 1
1 1384 . 8 2 2 B 33 33 VAL N N 738 116.157 119.892 -3.735 1
1 1385 . 8 2 2 B 34 34 GLY H H 739 7.868 7.884 -0.016 1
1 1386 . 8 2 2 B 34 34 GLY HA2 H 739 3.813 3.857 -0.044 1
1 1387 . 8 2 2 B 34 34 GLY HA3 H 739 4.120 3.878 0.242 1
1 1388 . 8 2 2 B 34 34 GLY CA C 739 44.831 46.696 -1.865 1
1 1389 . 8 2 2 B 34 34 GLY N N 739 108.258 110.769 -2.511 1
1 1390 . 8 2 2 B 35 35 SER H H 740 8.366 8.247 0.119 1
1 1391 . 8 2 2 B 35 35 SER HA H 740 4.389 4.115 0.274 1
1 1394 . 8 2 2 B 35 35 SER CA C 740 58.261 59.103 -0.842 1
1 1395 . 8 2 2 B 35 35 SER CB C 740 62.663 61.805 0.858 1
1 1396 . 8 2 2 B 35 35 SER N N 740 116.408 108.846 7.562 1
1 1397 . 8 2 2 B 36 36 VAL H H 741 7.897 7.545 0.352 1
1 1398 . 8 2 2 B 36 36 VAL HA H 741 4.054 3.828 0.226 1
1 1406 . 8 2 2 B 36 36 VAL CA C 741 61.737 66.143 -4.406 1
1 1407 . 8 2 2 B 36 36 VAL CB C 741 33.084 31.609 1.475 1
1 1410 . 8 2 2 B 36 36 VAL N N 741 122.928 118.661 4.267 1
1 1411 . 8 2 2 B 37 37 GLU H H 742 8.468 8.032 0.436 1
1 1412 . 8 2 2 B 37 37 GLU HA H 742 4.306 4.700 -0.394 1
1 1417 . 8 2 2 B 37 37 GLU CA C 742 55.803 55.995 -0.192 1
1 1418 . 8 2 2 B 37 37 GLU CB C 742 29.029 31.017 -1.988 1
1 1420 . 8 2 2 B 37 37 GLU N N 742 124.057 119.715 4.342 1
1 1421 . 8 2 2 B 38 38 PHE H H 743 8.222 7.991 0.231 1
1 1422 . 8 2 2 B 38 38 PHE HA H 743 4.360 4.032 0.328 1
1 1429 . 8 2 2 B 38 38 PHE CA C 743 59.263 61.920 -2.657 1
1 1430 . 8 2 2 B 38 38 PHE CB C 743 39.524 39.270 0.254 1
1 1433 . 8 2 2 B 38 38 PHE N N 743 122.427 121.722 0.705 1
1 1434 . 8 2 2 B 39 39 ASP H H 744 8.602 8.344 0.258 1
1 1435 . 8 2 2 B 39 39 ASP HA H 744 4.380 4.384 -0.004 1
1 1438 . 8 2 2 B 39 39 ASP CA C 744 56.495 55.928 0.567 1
1 1439 . 8 2 2 B 39 39 ASP CB C 744 40.119 40.448 -0.329 1
1 1440 . 8 2 2 B 39 39 ASP N N 744 120.044 118.636 1.408 1
1 1441 . 8 2 2 B 40 40 SER H H 745 8.143 7.802 0.341 1
1 1442 . 8 2 2 B 40 40 SER HA H 745 4.328 4.823 -0.495 1
1 1445 . 8 2 2 B 40 40 SER CA C 745 59.724 57.751 1.973 1
1 1446 . 8 2 2 B 40 40 SER CB C 745 62.723 64.514 -1.791 1
1 1447 . 8 2 2 B 40 40 SER N N 745 114.527 113.076 1.451 1
1 1448 . 8 2 2 B 41 41 MET H H 746 7.930 7.517 0.413 1
1 1449 . 8 2 2 B 41 41 MET HA H 746 4.374 4.284 0.090 1
1 1457 . 8 2 2 B 41 41 MET CA C 746 56.244 57.528 -1.284 1
1 1458 . 8 2 2 B 41 41 MET CB C 746 32.502 31.783 0.719 1
1 1461 . 8 2 2 B 41 41 MET N N 746 120.044 121.328 -1.284 1
1 1462 . 8 2 2 B 42 42 MET H H 747 7.784 7.783 0.001 1
1 1463 . 8 2 2 B 42 42 MET HA H 747 4.232 4.587 -0.355 1
1 1471 . 8 2 2 B 42 42 MET CA C 747 55.830 54.288 1.542 1
1 1472 . 8 2 2 B 42 42 MET CB C 747 32.502 32.548 -0.046 1
1 1475 . 8 2 2 B 42 42 MET N N 747 117.035 115.408 1.627 1
1 1476 . 8 2 2 B 43 43 ASN H H 748 7.960 7.814 0.146 1
1 1477 . 8 2 2 B 43 43 ASN HA H 748 4.831 4.601 0.230 1
1 1482 . 8 2 2 B 43 43 ASN CA C 748 53.146 53.677 -0.531 1
1 1483 . 8 2 2 B 43 43 ASN CB C 748 38.795 40.386 -1.591 1
1 1484 . 8 2 2 B 43 43 ASN N N 748 117.537 120.265 -2.728 1
1 1486 . 8 2 2 B 44 44 THR H H 749 8.039 8.560 -0.521 1
1 1487 . 8 2 2 B 44 44 THR HA H 749 4.432 4.049 0.383 1
1 1492 . 8 2 2 B 44 44 THR CA C 749 61.570 65.900 -4.330 1
1 1493 . 8 2 2 B 44 44 THR CB C 749 69.644 68.583 1.061 1
1 1495 . 8 2 2 B 44 44 THR N N 749 114.026 119.982 -5.956 1
1 6 . 9 1 1 A 2 2 PRO HA H 2 4.396 4.305 0.091 1
1 13 . 9 1 1 A 2 2 PRO CA C 2 65.107 66.156 -1.049 1
1 14 . 9 1 1 A 2 2 PRO CB C 2 31.810 31.316 0.494 1
1 17 . 9 1 1 A 3 3 GLN H H 3 8.509 8.358 0.151 1
1 18 . 9 1 1 A 3 3 GLN HA H 3 3.962 4.041 -0.079 1
1 25 . 9 1 1 A 3 3 GLN CA C 3 59.223 58.831 0.392 1
1 26 . 9 1 1 A 3 3 GLN CB C 3 28.119 27.852 0.267 1
1 28 . 9 1 1 A 3 3 GLN N N 3 117.064 117.708 -0.644 1
1 30 . 9 1 1 A 4 4 GLU H H 4 7.950 8.351 -0.401 1
1 31 . 9 1 1 A 4 4 GLU HA H 4 4.105 4.070 0.035 1
1 36 . 9 1 1 A 4 4 GLU CA C 4 58.778 59.509 -0.731 1
1 37 . 9 1 1 A 4 4 GLU CB C 4 29.734 29.344 0.390 1
1 39 . 9 1 1 A 4 4 GLU N N 4 121.574 121.756 -0.182 1
1 40 . 9 1 1 A 5 5 SER H H 5 8.511 7.534 0.977 1
1 41 . 9 1 1 A 5 5 SER HA H 5 4.238 4.091 0.147 1
1 44 . 9 1 1 A 5 5 SER CA C 5 61.377 61.490 -0.113 1
1 45 . 9 1 1 A 5 5 SER CB C 5 62.351 62.840 -0.489 1
1 46 . 9 1 1 A 5 5 SER N N 5 115.674 115.635 0.039 1
1 47 . 9 1 1 A 6 6 ARG H H 6 8.276 7.968 0.308 1
1 48 . 9 1 1 A 6 6 ARG HA H 6 4.324 3.989 0.335 1
1 55 . 9 1 1 A 6 6 ARG CA C 6 58.988 59.595 -0.607 1
1 56 . 9 1 1 A 6 6 ARG CB C 6 30.426 30.085 0.341 1
1 59 . 9 1 1 A 6 6 ARG N N 6 122.441 121.958 0.483 1
1 60 . 9 1 1 A 7 7 ARG H H 7 8.015 8.058 -0.043 1
1 61 . 9 1 1 A 7 7 ARG HA H 7 3.955 4.149 -0.194 1
1 68 . 9 1 1 A 7 7 ARG CA C 7 59.724 59.015 0.709 1
1 69 . 9 1 1 A 7 7 ARG CB C 7 29.965 30.018 -0.053 1
1 72 . 9 1 1 A 7 7 ARG N N 7 119.491 119.835 -0.344 1
1 73 . 9 1 1 A 8 8 LEU H H 8 8.158 8.273 -0.115 1
1 74 . 9 1 1 A 8 8 LEU HA H 8 4.161 4.186 -0.025 1
1 84 . 9 1 1 A 8 8 LEU CA C 8 57.686 57.641 0.045 1
1 85 . 9 1 1 A 8 8 LEU CB C 8 41.312 41.268 0.044 1
1 89 . 9 1 1 A 8 8 LEU N N 8 120.359 119.793 0.566 1
1 90 . 9 1 1 A 9 9 SER H H 9 8.090 8.017 0.073 1
1 91 . 9 1 1 A 9 9 SER HA H 9 4.292 4.129 0.163 1
1 94 . 9 1 1 A 9 9 SER CA C 9 61.570 62.425 -0.855 1
1 95 . 9 1 1 A 9 9 SER CB C 9 62.493 62.801 -0.308 1
1 96 . 9 1 1 A 9 9 SER N N 9 116.178 114.500 1.678 1
1 97 . 9 1 1 A 10 10 ILE H H 10 8.396 7.838 0.558 1
1 98 . 9 1 1 A 10 10 ILE HA H 10 3.505 3.582 -0.077 1
1 108 . 9 1 1 A 10 10 ILE CA C 10 65.608 65.010 0.598 1
1 109 . 9 1 1 A 10 10 ILE CB C 10 37.706 37.306 0.400 1
1 113 . 9 1 1 A 10 10 ILE N N 10 122.840 121.436 1.404 1
1 114 . 9 1 1 A 11 11 GLN H H 11 8.142 8.249 -0.107 1
1 115 . 9 1 1 A 11 11 GLN HA H 11 4.032 3.986 0.046 1
1 122 . 9 1 1 A 11 11 GLN CA C 11 59.060 59.229 -0.169 1
1 123 . 9 1 1 A 11 11 GLN CB C 11 27.888 28.400 -0.512 1
1 125 . 9 1 1 A 11 11 GLN N N 11 119.144 119.303 -0.159 1
1 127 . 9 1 1 A 12 12 ARG H H 12 8.330 7.784 0.546 1
1 128 . 9 1 1 A 12 12 ARG HA H 12 4.179 4.063 0.116 1
1 135 . 9 1 1 A 12 12 ARG CA C 12 59.494 59.436 0.058 1
1 136 . 9 1 1 A 12 12 ARG CB C 12 29.734 30.123 -0.389 1
1 138 . 9 1 1 A 12 12 ARG N N 12 120.186 119.212 0.974 1
1 139 . 9 1 1 A 13 13 CYS H H 13 8.242 7.712 0.530 1
1 140 . 9 1 1 A 13 13 CYS HA H 13 4.231 4.119 0.112 1
1 143 . 9 1 1 A 13 13 CYS CA C 13 63.289 63.910 -0.621 1
1 144 . 9 1 1 A 13 13 CYS CB C 13 26.505 27.171 -0.666 1
1 145 . 9 1 1 A 13 13 CYS N N 13 121.574 119.310 2.264 1
1 146 . 9 1 1 A 14 14 ILE H H 14 8.493 8.380 0.113 1
1 147 . 9 1 1 A 14 14 ILE HA H 14 3.787 3.568 0.219 1
1 157 . 9 1 1 A 14 14 ILE CA C 14 64.269 65.330 -1.061 1
1 158 . 9 1 1 A 14 14 ILE CB C 14 36.597 37.730 -1.133 1
1 162 . 9 1 1 A 14 14 ILE N N 14 120.012 119.959 0.053 1
1 163 . 9 1 1 A 15 15 GLN H H 15 8.468 8.205 0.263 1
1 164 . 9 1 1 A 15 15 GLN HA H 15 4.107 4.024 0.083 1
1 171 . 9 1 1 A 15 15 GLN CA C 15 58.969 59.102 -0.133 1
1 172 . 9 1 1 A 15 15 GLN CB C 15 27.843 28.387 -0.544 1
1 174 . 9 1 1 A 15 15 GLN N N 15 119.665 118.824 0.841 1
1 176 . 9 1 1 A 16 16 SER H H 16 8.409 7.999 0.410 1
1 177 . 9 1 1 A 16 16 SER HA H 16 4.424 4.090 0.334 1
1 180 . 9 1 1 A 16 16 SER CA C 16 61.726 62.520 -0.794 1
1 181 . 9 1 1 A 16 16 SER CB C 16 62.564 63.066 -0.502 1
1 182 . 9 1 1 A 16 16 SER N N 16 117.062 116.335 0.727 1
1 183 . 9 1 1 A 17 17 LEU H H 17 8.235 8.089 0.146 1
1 184 . 9 1 1 A 17 17 LEU HA H 17 4.103 4.087 0.016 1
1 194 . 9 1 1 A 17 17 LEU CA C 17 58.340 57.816 0.524 1
1 195 . 9 1 1 A 17 17 LEU CB C 17 41.961 41.707 0.254 1
1 199 . 9 1 1 A 17 17 LEU N N 17 125.564 122.876 2.688 1
1 200 . 9 1 1 A 18 18 VAL H H 18 8.603 8.207 0.396 1
1 201 . 9 1 1 A 18 18 VAL HA H 18 3.261 3.600 -0.339 1
1 209 . 9 1 1 A 18 18 VAL CA C 18 67.097 66.480 0.617 1
1 210 . 9 1 1 A 18 18 VAL CB C 18 31.589 31.496 0.093 1
1 213 . 9 1 1 A 18 18 VAL N N 18 119.665 118.859 0.806 1
1 214 . 9 1 1 A 19 19 HIS H H 19 8.083 8.349 -0.266 1
1 215 . 9 1 1 A 19 19 HIS HA H 19 4.231 4.153 0.078 1
1 219 . 9 1 1 A 19 19 HIS CA C 19 59.641 60.175 -0.534 1
1 220 . 9 1 1 A 19 19 HIS CB C 19 26.966 29.678 -2.712 1
1 222 . 9 1 1 A 19 19 HIS N N 19 116.094 119.195 -3.101 1
1 223 . 9 1 1 A 20 20 ALA H H 20 8.796 8.338 0.458 1
1 224 . 9 1 1 A 20 20 ALA HA H 20 4.308 3.985 0.323 1
1 228 . 9 1 1 A 20 20 ALA CA C 20 55.341 55.212 0.129 1
1 229 . 9 1 1 A 20 20 ALA CB C 20 20.026 18.242 1.784 1
1 230 . 9 1 1 A 20 20 ALA N N 20 121.747 120.407 1.340 1
1 231 . 9 1 1 A 21 21 CYS H H 21 7.909 7.939 -0.030 1
1 232 . 9 1 1 A 21 21 CYS HA H 21 4.294 4.216 0.078 1
1 235 . 9 1 1 A 21 21 CYS CA C 21 61.665 60.995 0.670 1
1 236 . 9 1 1 A 21 21 CYS CB C 21 26.764 26.893 -0.129 1
1 237 . 9 1 1 A 21 21 CYS N N 21 111.875 115.738 -3.863 1
1 238 . 9 1 1 A 22 22 GLN H H 22 7.357 7.779 -0.422 1
1 239 . 9 1 1 A 22 22 GLN HA H 22 4.531 4.384 0.147 1
1 246 . 9 1 1 A 22 22 GLN CA C 22 54.445 55.771 -1.326 1
1 247 . 9 1 1 A 22 22 GLN CB C 22 30.608 30.902 -0.294 1
1 249 . 9 1 1 A 22 22 GLN N N 22 116.021 117.318 -1.297 1
1 251 . 9 1 1 A 23 23 CYS H H 23 7.229 7.509 -0.280 1
1 252 . 9 1 1 A 23 23 CYS HA H 23 3.947 4.312 -0.365 1
1 255 . 9 1 1 A 23 23 CYS CA C 23 59.996 59.556 0.440 1
1 256 . 9 1 1 A 23 23 CYS CB C 23 29.000 28.469 0.531 1
1 257 . 9 1 1 A 23 23 CYS N N 23 124.350 118.815 5.535 1
1 258 . 9 1 1 A 24 24 ARG H H 24 8.966 8.713 0.253 1
1 259 . 9 1 1 A 24 24 ARG HA H 24 4.590 4.614 -0.024 1
1 266 . 9 1 1 A 24 24 ARG CA C 24 54.306 55.995 -1.689 1
1 267 . 9 1 1 A 24 24 ARG CB C 24 29.771 32.288 -2.517 1
1 270 . 9 1 1 A 24 24 ARG N N 24 129.729 123.086 6.643 1
1 271 . 9 1 1 A 25 25 ASN H H 25 7.823 7.085 0.738 1
1 272 . 9 1 1 A 25 25 ASN HA H 25 4.853 4.648 0.205 1
1 277 . 9 1 1 A 25 25 ASN CA C 25 51.372 53.545 -2.173 1
1 278 . 9 1 1 A 25 25 ASN CB C 25 38.727 38.874 -0.147 1
1 279 . 9 1 1 A 25 25 ASN N N 25 120.186 118.459 1.727 1
1 281 . 9 1 1 A 26 26 ALA H H 26 9.248 8.672 0.576 1
1 282 . 9 1 1 A 26 26 ALA HA H 26 4.091 4.103 -0.012 1
1 286 . 9 1 1 A 26 26 ALA CA C 26 54.027 54.772 -0.745 1
1 287 . 9 1 1 A 26 26 ALA CB C 26 18.209 18.858 -0.649 1
1 288 . 9 1 1 A 26 26 ALA N N 26 130.423 125.173 5.250 1
1 289 . 9 1 1 A 27 27 ASN H H 27 8.085 8.083 0.002 1
1 290 . 9 1 1 A 27 27 ASN HA H 27 4.834 5.020 -0.186 1
1 295 . 9 1 1 A 27 27 ASN CA C 27 51.625 52.082 -0.457 1
1 296 . 9 1 1 A 27 27 ASN CB C 27 38.577 39.326 -0.749 1
1 297 . 9 1 1 A 27 27 ASN N N 27 113.766 115.492 -1.726 1
1 299 . 9 1 1 A 28 28 CYS H H 28 7.209 8.535 -1.326 1
1 300 . 9 1 1 A 28 28 CYS HA H 28 4.053 4.399 -0.346 1
1 303 . 9 1 1 A 28 28 CYS CA C 28 61.312 59.559 1.753 1
1 304 . 9 1 1 A 28 28 CYS CB C 28 29.674 29.167 0.507 1
1 305 . 9 1 1 A 28 28 CYS N N 28 123.309 123.315 -0.006 1
1 306 . 9 1 1 A 29 29 SER H H 29 8.922 8.579 0.343 1
1 307 . 9 1 1 A 29 29 SER HA H 29 4.609 4.218 0.391 1
1 310 . 9 1 1 A 29 29 SER CA C 29 57.450 60.869 -3.419 1
1 311 . 9 1 1 A 29 29 SER CB C 29 63.604 63.025 0.579 1
1 312 . 9 1 1 A 29 29 SER N N 29 124.870 119.056 5.814 1
1 313 . 9 1 1 A 30 30 LEU H H 30 8.513 7.571 0.942 1
1 314 . 9 1 1 A 30 30 LEU HA H 30 4.497 4.398 0.099 1
1 324 . 9 1 1 A 30 30 LEU CA C 30 53.980 52.992 0.988 1
1 325 . 9 1 1 A 30 30 LEU CB C 30 40.643 41.738 -1.095 1
1 329 . 9 1 1 A 30 30 LEU N N 30 128.341 124.924 3.417 1
1 330 . 9 1 1 A 31 31 PRO HA H 31 4.329 4.290 0.039 1
1 337 . 9 1 1 A 31 31 PRO CA C 31 65.026 64.732 0.294 1
1 338 . 9 1 1 A 31 31 PRO CB C 31 31.580 32.189 -0.609 1
1 341 . 9 1 1 A 32 32 SER H H 32 8.537 8.125 0.412 1
1 342 . 9 1 1 A 32 32 SER HA H 32 4.287 4.205 0.082 1
1 345 . 9 1 1 A 32 32 SER CA C 32 60.277 61.309 -1.032 1
1 346 . 9 1 1 A 32 32 SER CB C 32 62.277 62.480 -0.203 1
1 347 . 9 1 1 A 32 32 SER N N 32 112.551 111.817 0.734 1
1 348 . 9 1 1 A 33 33 CYS H H 33 7.523 8.102 -0.579 1
1 349 . 9 1 1 A 33 33 CYS HA H 33 4.170 3.924 0.246 1
1 352 . 9 1 1 A 33 33 CYS CA C 33 63.408 62.908 0.500 1
1 353 . 9 1 1 A 33 33 CYS CB C 33 29.503 26.578 2.925 1
1 354 . 9 1 1 A 33 33 CYS N N 33 126.085 120.814 5.271 1
1 355 . 9 1 1 A 34 34 GLN H H 34 8.102 7.838 0.264 1
1 356 . 9 1 1 A 34 34 GLN HA H 34 3.963 4.023 -0.060 1
1 359 . 9 1 1 A 34 34 GLN N N 34 115.711 118.889 -3.178 1
1 361 . 9 1 1 A 35 35 LYS H H 35 8.093 7.686 0.407 1
1 362 . 9 1 1 A 35 35 LYS HA H 35 3.994 4.132 -0.138 1
1 371 . 9 1 1 A 35 35 LYS CA C 35 59.502 59.072 0.430 1
1 372 . 9 1 1 A 35 35 LYS CB C 35 32.273 32.521 -0.248 1
1 376 . 9 1 1 A 35 35 LYS N N 35 117.930 120.658 -2.728 1
1 377 . 9 1 1 A 36 36 MET H H 36 8.237 8.639 -0.402 1
1 378 . 9 1 1 A 36 36 MET HA H 36 4.488 4.084 0.404 1
1 386 . 9 1 1 A 36 36 MET CA C 36 56.725 59.334 -2.609 1
1 387 . 9 1 1 A 36 36 MET CB C 36 30.954 32.743 -1.789 1
1 390 . 9 1 1 A 36 36 MET N N 36 117.062 118.608 -1.546 1
1 391 . 9 1 1 A 37 37 LYS H H 37 9.107 8.120 0.987 1
1 392 . 9 1 1 A 37 37 LYS HA H 37 3.900 4.002 -0.102 1
1 401 . 9 1 1 A 37 37 LYS CA C 37 61.097 60.013 1.084 1
1 402 . 9 1 1 A 37 37 LYS CB C 37 32.947 32.264 0.683 1
1 406 . 9 1 1 A 37 37 LYS N N 37 120.186 118.818 1.368 1
1 407 . 9 1 1 A 38 38 ARG H H 38 7.781 7.886 -0.105 1
1 408 . 9 1 1 A 38 38 ARG HA H 38 4.127 4.109 0.018 1
1 413 . 9 1 1 A 38 38 ARG CA C 38 59.263 59.233 0.030 1
1 414 . 9 1 1 A 38 38 ARG CB C 38 29.965 29.951 0.014 1
1 416 . 9 1 1 A 38 38 ARG N N 38 118.971 119.640 -0.669 1
1 417 . 9 1 1 A 39 39 VAL H H 39 8.289 7.670 0.619 1
1 418 . 9 1 1 A 39 39 VAL HA H 39 3.539 3.689 -0.150 1
1 426 . 9 1 1 A 39 39 VAL CA C 39 66.989 66.386 0.603 1
1 427 . 9 1 1 A 39 39 VAL CB C 39 31.451 31.775 -0.324 1
1 430 . 9 1 1 A 39 39 VAL N N 39 123.829 119.924 3.905 1
1 431 . 9 1 1 A 40 40 VAL H H 40 8.318 8.096 0.222 1
1 432 . 9 1 1 A 40 40 VAL HA H 40 3.528 3.581 -0.053 1
1 440 . 9 1 1 A 40 40 VAL CA C 40 67.050 67.026 0.024 1
1 441 . 9 1 1 A 40 40 VAL CB C 40 31.608 31.584 0.024 1
1 444 . 9 1 1 A 40 40 VAL N N 40 119.665 119.988 -0.323 1
1 445 . 9 1 1 A 41 41 GLN H H 41 8.263 8.413 -0.150 1
1 446 . 9 1 1 A 41 41 GLN HA H 41 3.974 3.958 0.016 1
1 453 . 9 1 1 A 41 41 GLN CA C 41 58.571 59.309 -0.738 1
1 454 . 9 1 1 A 41 41 GLN CB C 41 28.018 28.219 -0.201 1
1 456 . 9 1 1 A 41 41 GLN N N 41 118.450 118.190 0.260 1
1 458 . 9 1 1 A 42 42 HIS H H 42 8.309 8.090 0.219 1
1 459 . 9 1 1 A 42 42 HIS HA H 42 4.215 4.323 -0.108 1
1 463 . 9 1 1 A 42 42 HIS CA C 42 59.402 59.375 0.027 1
1 464 . 9 1 1 A 42 42 HIS CB C 42 26.966 30.509 -3.543 1
1 466 . 9 1 1 A 42 42 HIS N N 42 118.971 120.015 -1.044 1
1 467 . 9 1 1 A 43 43 THR H H 43 8.056 8.219 -0.163 1
1 468 . 9 1 1 A 43 43 THR HA H 43 3.929 3.724 0.205 1
1 474 . 9 1 1 A 43 43 THR CA C 43 66.101 67.213 -1.112 1
1 475 . 9 1 1 A 43 43 THR CB C 43 69.107 68.433 0.674 1
1 477 . 9 1 1 A 43 43 THR N N 43 114.320 113.380 0.940 1
1 478 . 9 1 1 A 44 44 LYS H H 44 7.531 7.945 -0.414 1
1 479 . 9 1 1 A 44 44 LYS HA H 44 4.085 4.083 0.002 1
1 488 . 9 1 1 A 44 44 LYS CA C 44 58.682 59.311 -0.629 1
1 489 . 9 1 1 A 44 44 LYS CB C 44 32.024 32.416 -0.392 1
1 493 . 9 1 1 A 44 44 LYS N N 44 120.012 119.262 0.750 1
1 494 . 9 1 1 A 45 45 GLY H H 45 7.143 7.750 -0.607 1
1 495 . 9 1 1 A 45 45 GLY HA2 H 45 3.625 3.946 -0.321 1
1 496 . 9 1 1 A 45 45 GLY HA3 H 45 4.387 3.965 0.422 1
1 497 . 9 1 1 A 45 45 GLY CA C 45 44.289 45.200 -0.911 1
1 498 . 9 1 1 A 45 45 GLY N N 45 103.528 107.193 -3.665 1
1 499 . 9 1 1 A 46 46 CYS H H 46 6.988 7.240 -0.252 1
1 500 . 9 1 1 A 46 46 CYS HA H 46 3.955 4.450 -0.495 1
1 503 . 9 1 1 A 46 46 CYS CA C 46 60.654 58.950 1.704 1
1 504 . 9 1 1 A 46 46 CYS CB C 46 29.793 28.443 1.350 1
1 505 . 9 1 1 A 46 46 CYS N N 46 123.656 120.240 3.416 1
1 506 . 9 1 1 A 47 47 LYS H H 47 9.060 8.835 0.225 1
1 507 . 9 1 1 A 47 47 LYS HA H 47 4.489 4.569 -0.080 1
1 516 . 9 1 1 A 47 47 LYS CA C 47 56.127 56.072 0.055 1
1 517 . 9 1 1 A 47 47 LYS CB C 47 32.393 33.427 -1.034 1
1 521 . 9 1 1 A 47 47 LYS N N 47 127.820 124.424 3.396 1
1 522 . 9 1 1 A 48 48 ARG H H 48 8.537 7.673 0.864 1
1 523 . 9 1 1 A 48 48 ARG HA H 48 4.330 4.277 0.053 1
1 530 . 9 1 1 A 48 48 ARG CA C 48 57.648 58.341 -0.693 1
1 531 . 9 1 1 A 48 48 ARG CB C 48 31.810 30.691 1.119 1
1 534 . 9 1 1 A 48 48 ARG N N 48 122.615 117.196 5.419 1
1 535 . 9 1 1 A 49 49 LYS H H 49 8.522 7.845 0.677 1
1 536 . 9 1 1 A 49 49 LYS HA H 49 4.554 4.290 0.264 1
1 545 . 9 1 1 A 49 49 LYS CA C 49 57.417 56.857 0.560 1
1 546 . 9 1 1 A 49 49 LYS CB C 49 31.543 31.854 -0.311 1
1 550 . 9 1 1 A 49 49 LYS N N 49 117.583 119.305 -1.722 1
1 551 . 9 1 1 A 50 50 THR H H 50 7.992 8.855 -0.863 1
1 552 . 9 1 1 A 50 50 THR HA H 50 4.127 3.940 0.187 1
1 557 . 9 1 1 A 50 50 THR CA C 50 63.985 65.657 -1.672 1
1 558 . 9 1 1 A 50 50 THR CB C 50 68.157 68.194 -0.037 1
1 560 . 9 1 1 A 50 50 THR N N 50 113.245 112.970 0.275 1
1 561 . 9 1 1 A 51 51 ASN H H 51 8.888 8.223 0.665 1
1 562 . 9 1 1 A 51 51 ASN HA H 51 4.665 4.445 0.220 1
1 567 . 9 1 1 A 51 51 ASN CA C 51 54.159 55.979 -1.820 1
1 568 . 9 1 1 A 51 51 ASN CB C 51 37.857 38.423 -0.566 1
1 570 . 9 1 1 A 52 52 GLY H H 52 7.972 7.733 0.239 1
1 571 . 9 1 1 A 52 52 GLY HA2 H 52 3.893 3.971 -0.078 1
1 572 . 9 1 1 A 52 52 GLY HA3 H 52 4.101 3.975 0.126 1
1 573 . 9 1 1 A 52 52 GLY CA C 52 45.368 45.473 -0.105 1
1 574 . 9 1 1 A 52 52 GLY N N 52 106.651 105.783 0.868 1
1 575 . 9 1 1 A 53 53 GLY H H 53 7.765 7.909 -0.144 1
1 576 . 9 1 1 A 53 53 GLY HA2 H 53 3.837 4.066 -0.229 1
1 577 . 9 1 1 A 53 53 GLY HA3 H 53 4.079 4.067 0.012 1
1 578 . 9 1 1 A 53 53 GLY CA C 53 45.227 45.008 0.219 1
1 579 . 9 1 1 A 53 53 GLY N N 53 107.519 106.982 0.537 1
1 580 . 9 1 1 A 54 54 CYS H H 54 8.099 7.751 0.348 1
1 581 . 9 1 1 A 54 54 CYS HA H 54 4.720 4.520 0.200 1
1 584 . 9 1 1 A 54 54 CYS CA C 54 55.572 57.496 -1.924 1
1 585 . 9 1 1 A 54 54 CYS CB C 54 30.216 28.809 1.407 1
1 586 . 9 1 1 A 54 54 CYS N N 54 122.615 119.782 2.833 1
1 587 . 9 1 1 A 55 55 PRO HA H 55 4.237 4.458 -0.221 1
1 594 . 9 1 1 A 55 55 PRO CA C 55 64.757 64.176 0.581 1
1 595 . 9 1 1 A 55 55 PRO CB C 55 32.311 32.008 0.303 1
1 598 . 9 1 1 A 56 56 VAL H H 56 7.645 7.195 0.450 1
1 599 . 9 1 1 A 56 56 VAL HA H 56 3.384 3.735 -0.351 1
1 607 . 9 1 1 A 56 56 VAL CA C 56 66.184 65.910 0.274 1
1 608 . 9 1 1 A 56 56 VAL CB C 56 32.502 31.702 0.800 1
1 611 . 9 1 1 A 56 56 VAL N N 56 121.227 116.840 4.387 1
1 612 . 9 1 1 A 57 57 CYS H H 57 8.565 7.716 0.849 1
1 613 . 9 1 1 A 57 57 CYS HA H 57 4.034 4.028 0.006 1
1 616 . 9 1 1 A 57 57 CYS CA C 57 65.746 63.586 2.160 1
1 617 . 9 1 1 A 57 57 CYS CB C 57 29.273 27.224 2.049 1
1 618 . 9 1 1 A 57 57 CYS N N 57 122.615 117.726 4.889 1
1 619 . 9 1 1 A 58 58 LYS H H 58 7.956 7.798 0.158 1
1 620 . 9 1 1 A 58 58 LYS HA H 58 3.874 3.836 0.038 1
1 629 . 9 1 1 A 58 58 LYS CA C 58 59.955 59.255 0.700 1
1 630 . 9 1 1 A 58 58 LYS CB C 58 32.272 32.171 0.101 1
1 634 . 9 1 1 A 58 58 LYS N N 58 116.889 121.237 -4.348 1
1 635 . 9 1 1 A 59 59 GLN H H 59 7.359 7.704 -0.345 1
1 636 . 9 1 1 A 59 59 GLN HA H 59 3.789 4.023 -0.234 1
1 643 . 9 1 1 A 59 59 GLN CA C 59 60.647 58.746 1.901 1
1 644 . 9 1 1 A 59 59 GLN CB C 59 27.196 28.319 -1.123 1
1 646 . 9 1 1 A 59 59 GLN N N 59 116.889 118.303 -1.414 1
1 648 . 9 1 1 A 60 60 LEU H H 60 8.303 7.514 0.789 1
1 649 . 9 1 1 A 60 60 LEU HA H 60 4.093 3.955 0.138 1
1 659 . 9 1 1 A 60 60 LEU CA C 60 58.110 57.986 0.124 1
1 660 . 9 1 1 A 60 60 LEU CB C 60 40.807 41.035 -0.228 1
1 664 . 9 1 1 A 60 60 LEU N N 60 118.103 119.756 -1.653 1
1 665 . 9 1 1 A 61 61 ILE H H 61 8.804 8.130 0.674 1
1 666 . 9 1 1 A 61 61 ILE HA H 61 3.801 3.372 0.429 1
1 676 . 9 1 1 A 61 61 ILE CA C 61 63.416 65.800 -2.384 1
1 677 . 9 1 1 A 61 61 ILE CB C 61 36.886 37.598 -0.712 1
1 681 . 9 1 1 A 61 61 ILE N N 61 118.624 119.783 -1.159 1
1 682 . 9 1 1 A 62 62 ALA H H 62 7.796 7.914 -0.118 1
1 683 . 9 1 1 A 62 62 ALA HA H 62 4.058 4.088 -0.030 1
1 687 . 9 1 1 A 62 62 ALA CA C 62 56.030 55.336 0.694 1
1 688 . 9 1 1 A 62 62 ALA CB C 62 18.068 18.331 -0.263 1
1 689 . 9 1 1 A 62 62 ALA N N 62 124.003 122.709 1.294 1
1 690 . 9 1 1 A 63 63 LEU H H 63 8.011 7.772 0.239 1
1 691 . 9 1 1 A 63 63 LEU HA H 63 4.077 4.066 0.011 1
1 701 . 9 1 1 A 63 63 LEU CA C 63 58.110 57.803 0.307 1
1 702 . 9 1 1 A 63 63 LEU CB C 63 42.116 41.313 0.803 1
1 706 . 9 1 1 A 63 63 LEU N N 63 117.583 119.289 -1.706 1
1 707 . 9 1 1 A 64 64 CYS H H 64 8.818 8.733 0.085 1
1 708 . 9 1 1 A 64 64 CYS HA H 64 4.053 4.199 -0.146 1
1 711 . 9 1 1 A 64 64 CYS CA C 64 64.800 62.963 1.837 1
1 712 . 9 1 1 A 64 64 CYS CB C 64 26.504 26.733 -0.229 1
1 713 . 9 1 1 A 64 64 CYS N N 64 118.277 117.066 1.211 1
1 714 . 9 1 1 A 65 65 CYS H H 65 8.793 8.589 0.204 1
1 715 . 9 1 1 A 65 65 CYS HA H 65 4.258 4.145 0.113 1
1 718 . 9 1 1 A 65 65 CYS CA C 65 63.646 63.686 -0.040 1
1 719 . 9 1 1 A 65 65 CYS CB C 65 26.966 27.000 -0.034 1
1 720 . 9 1 1 A 65 65 CYS N N 65 118.971 119.241 -0.270 1
1 721 . 9 1 1 A 66 66 TYR H H 66 8.369 8.252 0.117 1
1 722 . 9 1 1 A 66 66 TYR HA H 66 4.034 4.234 -0.200 1
1 729 . 9 1 1 A 66 66 TYR CA C 66 60.886 61.507 -0.621 1
1 730 . 9 1 1 A 66 66 TYR CB C 66 37.808 38.772 -0.964 1
1 733 . 9 1 1 A 66 66 TYR N N 66 121.574 122.542 -0.968 1
1 734 . 9 1 1 A 67 67 HIS H H 67 8.633 7.650 0.983 1
1 735 . 9 1 1 A 67 67 HIS HA H 67 4.318 4.216 0.102 1
1 740 . 9 1 1 A 67 67 HIS CA C 67 58.998 59.410 -0.412 1
1 741 . 9 1 1 A 67 67 HIS CB C 67 27.409 30.507 -3.098 1
1 744 . 9 1 1 A 67 67 HIS N N 67 117.409 119.211 -1.802 1
1 745 . 9 1 1 A 68 68 ALA H H 68 8.725 8.804 -0.079 1
1 746 . 9 1 1 A 68 68 ALA HA H 68 4.019 3.901 0.118 1
1 750 . 9 1 1 A 68 68 ALA CA C 68 54.690 55.366 -0.676 1
1 751 . 9 1 1 A 68 68 ALA CB C 68 19.964 18.550 1.414 1
1 752 . 9 1 1 A 68 68 ALA N N 68 122.094 120.731 1.363 1
1 753 . 9 1 1 A 69 69 LYS H H 69 7.362 7.758 -0.396 1
1 754 . 9 1 1 A 69 69 LYS HA H 69 3.736 4.068 -0.332 1
1 763 . 9 1 1 A 69 69 LYS CA C 69 58.137 59.005 -0.868 1
1 764 . 9 1 1 A 69 69 LYS CB C 69 32.224 32.179 0.045 1
1 768 . 9 1 1 A 69 69 LYS N N 69 114.807 116.332 -1.525 1
1 769 . 9 1 1 A 70 70 HIS H H 70 7.011 8.049 -1.038 1
1 770 . 9 1 1 A 70 70 HIS HA H 70 4.697 4.093 0.604 1
1 774 . 9 1 1 A 70 70 HIS CA C 70 54.835 59.135 -4.300 1
1 775 . 9 1 1 A 70 70 HIS CB C 70 30.477 30.133 0.344 1
1 777 . 9 1 1 A 70 70 HIS N N 70 112.898 118.364 -5.466 1
1 778 . 9 1 1 A 71 71 CYS H H 71 7.012 7.361 -0.349 1
1 779 . 9 1 1 A 71 71 CYS HA H 71 4.032 4.236 -0.204 1
1 782 . 9 1 1 A 71 71 CYS CA C 71 59.948 59.719 0.229 1
1 783 . 9 1 1 A 71 71 CYS CB C 71 29.752 27.885 1.867 1
1 784 . 9 1 1 A 71 71 CYS N N 71 123.829 119.004 4.825 1
1 785 . 9 1 1 A 72 72 GLN H H 72 9.181 8.761 0.420 1
1 786 . 9 1 1 A 72 72 GLN HA H 72 4.674 4.597 0.077 1
1 793 . 9 1 1 A 72 72 GLN CA C 72 54.224 55.501 -1.277 1
1 794 . 9 1 1 A 72 72 GLN CB C 72 29.049 30.273 -1.224 1
1 796 . 9 1 1 A 72 72 GLN N N 72 128.341 122.550 5.791 1
1 798 . 9 1 1 A 73 73 GLU H H 73 8.396 7.285 1.111 1
1 799 . 9 1 1 A 73 73 GLU HA H 73 4.389 4.283 0.106 1
1 804 . 9 1 1 A 73 73 GLU CA C 73 55.341 56.778 -1.437 1
1 805 . 9 1 1 A 73 73 GLU CB C 73 30.239 30.789 -0.550 1
1 807 . 9 1 1 A 73 73 GLU N N 73 123.309 122.593 0.716 1
1 808 . 9 1 1 A 74 74 ASN H H 74 8.921 9.129 -0.208 1
1 809 . 9 1 1 A 74 74 ASN HA H 74 4.538 4.988 -0.450 1
1 814 . 9 1 1 A 74 74 ASN CA C 74 54.666 53.224 1.442 1
1 815 . 9 1 1 A 74 74 ASN CB C 74 38.301 39.466 -1.165 1
1 816 . 9 1 1 A 74 74 ASN N N 74 124.870 122.112 2.758 1
1 818 . 9 1 1 A 75 75 LYS H H 75 8.847 7.834 1.013 1
1 819 . 9 1 1 A 75 75 LYS HA H 75 4.442 4.642 -0.200 1
1 828 . 9 1 1 A 75 75 LYS CA C 75 54.327 55.221 -0.894 1
1 829 . 9 1 1 A 75 75 LYS CB C 75 30.837 33.111 -2.274 1
1 833 . 9 1 1 A 75 75 LYS N N 75 121.574 116.967 4.607 1
1 834 . 9 1 1 A 76 76 CYS H H 76 7.191 7.342 -0.151 1
1 835 . 9 1 1 A 76 76 CYS HA H 76 4.389 4.415 -0.026 1
1 838 . 9 1 1 A 76 76 CYS CA C 76 57.270 57.734 -0.464 1
1 839 . 9 1 1 A 76 76 CYS CB C 76 30.613 28.289 2.324 1
1 840 . 9 1 1 A 76 76 CYS N N 76 124.350 121.400 2.950 1
1 841 . 9 1 1 A 77 77 PRO HA H 77 4.673 4.436 0.237 1
1 848 . 9 1 1 A 77 77 PRO CA C 77 62.878 64.316 -1.438 1
1 849 . 9 1 1 A 77 77 PRO CB C 77 31.950 31.964 -0.014 1
1 852 . 9 1 1 A 78 78 VAL H H 78 8.974 7.749 1.225 1
1 853 . 9 1 1 A 78 78 VAL HA H 78 4.187 4.164 0.023 1
1 861 . 9 1 1 A 78 78 VAL CA C 78 61.637 61.205 0.432 1
1 862 . 9 1 1 A 78 78 VAL CB C 78 31.654 32.318 -0.664 1
1 865 . 9 1 1 A 78 78 VAL N N 78 128.688 119.546 9.142 1
1 866 . 9 1 1 A 79 79 PRO HA H 79 3.938 4.297 -0.359 1
1 873 . 9 1 1 A 79 79 PRO CA C 79 63.962 64.920 -0.958 1
1 874 . 9 1 1 A 79 79 PRO CB C 79 30.887 31.875 -0.988 1
1 877 . 9 1 1 A 80 80 PHE HA H 80 4.350 4.411 -0.061 1
1 884 . 9 1 1 A 80 80 PHE CA C 80 59.032 59.620 -0.588 1
1 885 . 9 1 1 A 80 80 PHE CB C 80 37.686 39.639 -1.953 1
1 888 . 9 1 1 A 81 81 CYS H H 81 7.686 8.234 -0.548 1
1 889 . 9 1 1 A 81 81 CYS HA H 81 4.001 4.090 -0.089 1
1 892 . 9 1 1 A 81 81 CYS CA C 81 64.779 62.503 2.276 1
1 893 . 9 1 1 A 81 81 CYS CB C 81 29.524 26.623 2.901 1
1 894 . 9 1 1 A 81 81 CYS N N 81 124.176 118.751 5.425 1
1 895 . 9 1 1 A 82 82 LEU H H 82 8.267 8.198 0.069 1
1 896 . 9 1 1 A 82 82 LEU HA H 82 4.010 3.759 0.251 1
1 906 . 9 1 1 A 82 82 LEU CA C 82 58.340 57.853 0.487 1
1 907 . 9 1 1 A 82 82 LEU CB C 82 40.862 41.425 -0.563 1
1 911 . 9 1 1 A 82 82 LEU N N 82 114.980 121.106 -6.126 1
1 912 . 9 1 1 A 83 83 ASN H H 83 7.917 7.999 -0.082 1
1 913 . 9 1 1 A 83 83 ASN HA H 83 4.490 4.269 0.221 1
1 918 . 9 1 1 A 83 83 ASN CA C 83 56.061 56.596 -0.535 1
1 919 . 9 1 1 A 83 83 ASN CB C 83 38.494 39.635 -1.141 1
1 920 . 9 1 1 A 83 83 ASN N N 83 116.542 117.042 -0.500 1
1 922 . 9 1 1 A 84 84 ILE H H 84 8.788 8.203 0.585 1
1 923 . 9 1 1 A 84 84 ILE HA H 84 3.734 3.774 -0.040 1
1 933 . 9 1 1 A 84 84 ILE CA C 84 65.142 65.005 0.137 1
1 934 . 9 1 1 A 84 84 ILE CB C 84 38.039 37.534 0.505 1
1 938 . 9 1 1 A 84 84 ILE N N 84 121.747 119.783 1.964 1
1 939 . 9 1 1 A 85 85 LYS H H 85 8.954 8.058 0.896 1
1 940 . 9 1 1 A 85 85 LYS HA H 85 3.839 3.942 -0.103 1
1 949 . 9 1 1 A 85 85 LYS CA C 85 60.936 59.414 1.522 1
1 950 . 9 1 1 A 85 85 LYS CB C 85 32.041 32.373 -0.332 1
1 954 . 9 1 1 A 85 85 LYS N N 85 119.665 119.092 0.573 1
1 955 . 9 1 1 A 86 86 HIS H H 86 8.043 7.934 0.109 1
1 956 . 9 1 1 A 86 86 HIS HA H 86 4.411 4.365 0.046 1
1 960 . 9 1 1 A 86 86 HIS CA C 86 58.746 59.045 -0.299 1
1 961 . 9 1 1 A 86 86 HIS CB C 86 30.067 29.749 0.318 1
1 963 . 9 1 1 A 86 86 HIS N N 86 116.542 118.585 -2.043 1
1 964 . 9 1 1 A 87 87 LYS H H 87 7.822 7.859 -0.037 1
1 965 . 9 1 1 A 87 87 LYS HA H 87 4.158 4.171 -0.013 1
1 968 . 9 1 1 A 87 87 LYS CA C 87 57.879 58.410 -0.531 1
1 969 . 9 1 1 A 87 87 LYS N N 87 119.318 120.149 -0.831 1
1 970 . 9 1 1 A 88 88 LEU H H 88 8.405 8.496 -0.091 1
1 971 . 9 1 1 A 88 88 LEU HA H 88 4.194 4.057 0.137 1
1 981 . 9 1 1 A 88 88 LEU CA C 88 56.289 57.913 -1.624 1
1 982 . 9 1 1 A 88 88 LEU CB C 88 41.692 41.095 0.597 1
1 986 . 9 1 1 A 88 88 LEU N N 88 119.144 119.822 -0.678 1
1 987 . 9 1 1 A 89 89 ARG H H 89 7.826 8.524 -0.698 1
1 988 . 9 1 1 A 89 89 ARG HA H 89 4.271 4.118 0.153 1
1 995 . 9 1 1 A 89 89 ARG CA C 89 56.666 59.305 -2.639 1
1 996 . 9 1 1 A 89 89 ARG CB C 89 29.965 29.737 0.228 1
1 999 . 9 1 1 A 89 89 ARG N N 89 118.450 118.923 -0.473 1
1 1000 . 9 1 1 A 90 90 GLN H H 90 7.935 7.793 0.142 1
1 1001 . 9 1 1 A 90 90 GLN HA H 90 4.270 4.329 -0.059 1
1 1008 . 9 1 1 A 90 90 GLN CA C 90 55.840 56.527 -0.687 1
1 1009 . 9 1 1 A 90 90 GLN CB C 90 28.989 28.828 0.161 1
1 1011 . 9 1 1 A 90 90 GLN N N 90 119.318 116.249 3.069 1
1 1013 . 9 1 1 A 91 91 GLN H H 91 8.141 7.279 0.862 1
1 1014 . 9 1 1 A 91 91 GLN HA H 91 4.352 4.379 -0.027 1
1 1021 . 9 1 1 A 91 91 GLN CA C 91 55.581 56.009 -0.428 1
1 1022 . 9 1 1 A 91 91 GLN CB C 91 29.284 29.179 0.105 1
1 1024 . 9 1 1 A 91 91 GLN N N 91 120.706 119.915 0.791 1
1 1043 . 9 2 2 B 2 2 SER CB C 707 63.646 62.740 0.906 1
1 1044 . 9 2 2 B 3 3 HIS HA H 708 4.663 4.923 -0.260 1
1 1047 . 9 2 2 B 3 3 HIS CA C 708 56.033 55.678 0.355 1
1 1048 . 9 2 2 B 3 3 HIS CB C 708 30.146 30.962 -0.816 1
1 1053 . 9 2 2 B 5 5 SER H H 710 8.437 8.790 -0.353 1
1 1054 . 9 2 2 B 5 5 SER HA H 710 4.429 4.952 -0.523 1
1 1057 . 9 2 2 B 5 5 SER CA C 710 58.340 57.515 0.825 1
1 1058 . 9 2 2 B 5 5 SER CB C 710 63.416 66.347 -2.931 1
1 1059 . 9 2 2 B 5 5 SER N N 710 117.160 118.532 -1.372 1
1 1060 . 9 2 2 B 6 6 GLU H H 711 8.458 8.798 -0.340 1
1 1061 . 9 2 2 B 6 6 GLU HA H 711 4.311 4.332 -0.021 1
1 1066 . 9 2 2 B 6 6 GLU CA C 711 56.033 56.869 -0.836 1
1 1067 . 9 2 2 B 6 6 GLU CB C 711 30.223 30.535 -0.312 1
1 1069 . 9 2 2 B 6 6 GLU N N 711 123.053 120.760 2.293 1
1 1070 . 9 2 2 B 7 7 VAL H H 712 8.150 8.687 -0.537 1
1 1071 . 9 2 2 B 7 7 VAL HA H 712 4.050 3.882 0.168 1
1 1079 . 9 2 2 B 7 7 VAL CA C 712 61.801 64.432 -2.631 1
1 1080 . 9 2 2 B 7 7 VAL CB C 712 32.041 31.403 0.638 1
1 1083 . 9 2 2 B 7 7 VAL N N 712 121.173 121.874 -0.701 1
1 1084 . 9 2 2 B 8 8 HIS H H 713 8.495 7.664 0.831 1
1 1085 . 9 2 2 B 8 8 HIS HA H 713 4.914 4.247 0.667 1
1 1089 . 9 2 2 B 8 8 HIS CA C 713 53.945 56.113 -2.168 1
1 1090 . 9 2 2 B 8 8 HIS CB C 713 30.218 27.786 2.432 1
1 1092 . 9 2 2 B 8 8 HIS N N 713 125.310 116.751 8.559 1
1 1093 . 9 2 2 B 9 9 PRO HA H 714 4.430 4.608 -0.178 1
1 1100 . 9 2 2 B 9 9 PRO CA C 714 63.409 62.342 1.067 1
1 1101 . 9 2 2 B 9 9 PRO CB C 714 32.018 32.912 -0.894 1
1 1104 . 9 2 2 B 10 10 SER H H 715 8.889 8.538 0.351 1
1 1105 . 9 2 2 B 10 10 SER HA H 715 4.437 4.546 -0.109 1
1 1108 . 9 2 2 B 10 10 SER CA C 715 58.571 58.050 0.521 1
1 1109 . 9 2 2 B 10 10 SER CB C 715 63.213 61.029 2.184 1
1 1110 . 9 2 2 B 10 10 SER N N 715 116.533 116.852 -0.319 1
1 1111 . 9 2 2 B 11 11 ARG H H 716 8.442 8.102 0.340 1
1 1112 . 9 2 2 B 11 11 ARG HA H 716 4.388 4.544 -0.156 1
1 1119 . 9 2 2 B 11 11 ARG CA C 716 55.882 55.086 0.796 1
1 1120 . 9 2 2 B 11 11 ARG CB C 716 30.395 30.424 -0.029 1
1 1123 . 9 2 2 B 11 11 ARG N N 716 122.803 120.880 1.923 1
1 1124 . 9 2 2 B 12 12 LEU H H 717 8.133 7.420 0.713 1
1 1125 . 9 2 2 B 12 12 LEU HA H 717 4.356 4.831 -0.475 1
1 1135 . 9 2 2 B 12 12 LEU CA C 717 54.880 54.285 0.595 1
1 1136 . 9 2 2 B 12 12 LEU CB C 717 42.081 45.193 -3.112 1
1 1140 . 9 2 2 B 12 12 LEU N N 717 122.552 121.675 0.877 1
1 1141 . 9 2 2 B 13 13 GLN H H 718 8.440 8.999 -0.559 1
1 1142 . 9 2 2 B 13 13 GLN HA H 718 4.454 4.690 -0.236 1
1 1149 . 9 2 2 B 13 13 GLN CA C 718 55.341 55.568 -0.227 1
1 1150 . 9 2 2 B 13 13 GLN CB C 718 29.285 29.904 -0.619 1
1 1152 . 9 2 2 B 13 13 GLN N N 718 121.298 126.114 -4.816 1
1 1154 . 9 2 2 B 14 14 THR H H 719 8.257 8.247 0.010 1
1 1155 . 9 2 2 B 14 14 THR HA H 719 4.438 4.186 0.252 1
1 1160 . 9 2 2 B 14 14 THR CA C 719 61.339 64.233 -2.894 1
1 1161 . 9 2 2 B 14 14 THR CB C 719 69.456 68.964 0.492 1
1 1163 . 9 2 2 B 14 14 THR N N 719 115.154 112.642 2.512 1
1 1164 . 9 2 2 B 15 15 THR H H 720 8.240 7.575 0.665 1
1 1165 . 9 2 2 B 15 15 THR HA H 720 4.275 4.853 -0.578 1
1 1170 . 9 2 2 B 15 15 THR CA C 720 61.967 61.869 0.098 1
1 1171 . 9 2 2 B 15 15 THR CB C 720 69.183 70.778 -1.595 1
1 1173 . 9 2 2 B 15 15 THR N N 720 115.029 116.026 -0.997 1
1 1174 . 9 2 2 B 16 16 ASP H H 721 8.293 8.572 -0.279 1
1 1175 . 9 2 2 B 16 16 ASP HA H 721 4.494 4.964 -0.470 1
1 1178 . 9 2 2 B 16 16 ASP CA C 721 54.880 53.236 1.644 1
1 1179 . 9 2 2 B 16 16 ASP CB C 721 40.891 42.642 -1.751 1
1 1180 . 9 2 2 B 16 16 ASP N N 721 122.427 127.410 -4.983 1
1 1181 . 9 2 2 B 17 17 ASN H H 722 8.272 7.951 0.321 1
1 1182 . 9 2 2 B 17 17 ASN HA H 722 4.577 4.907 -0.330 1
1 1187 . 9 2 2 B 17 17 ASN CA C 722 53.330 53.675 -0.345 1
1 1188 . 9 2 2 B 17 17 ASN CB C 722 38.332 39.994 -1.662 1
1 1189 . 9 2 2 B 17 17 ASN N N 722 118.916 118.217 0.699 1
1 1191 . 9 2 2 B 18 18 LEU H H 723 8.204 7.627 0.577 1
1 1192 . 9 2 2 B 18 18 LEU HA H 723 4.191 4.185 0.006 1
1 1202 . 9 2 2 B 18 18 LEU CA C 723 54.200 57.322 -3.122 1
1 1203 . 9 2 2 B 18 18 LEU CB C 723 43.545 41.441 2.104 1
1 1207 . 9 2 2 B 18 18 LEU N N 723 121.173 117.965 3.208 1
1 1208 . 9 2 2 B 19 19 LEU H H 724 7.416 7.456 -0.040 1
1 1209 . 9 2 2 B 19 19 LEU HA H 724 4.273 4.322 -0.049 1
1 1219 . 9 2 2 B 19 19 LEU CA C 724 52.415 53.877 -1.462 1
1 1220 . 9 2 2 B 19 19 LEU CB C 724 40.471 42.189 -1.718 1
1 1224 . 9 2 2 B 19 19 LEU N N 724 117.286 121.312 -4.026 1
1 1225 . 9 2 2 B 20 20 PRO HA H 725 4.271 4.499 -0.228 1
1 1232 . 9 2 2 B 20 20 PRO CA C 725 63.877 63.989 -0.112 1
1 1233 . 9 2 2 B 20 20 PRO CB C 725 32.716 31.975 0.741 1
1 1236 . 9 2 2 B 21 21 MET H H 726 8.932 7.508 1.424 1
1 1237 . 9 2 2 B 21 21 MET HA H 726 4.841 4.816 0.025 1
1 1245 . 9 2 2 B 21 21 MET CA C 726 54.199 54.411 -0.212 1
1 1246 . 9 2 2 B 21 21 MET CB C 726 36.939 35.716 1.223 1
1 1249 . 9 2 2 B 21 21 MET N N 726 116.784 119.441 -2.657 1
1 1250 . 9 2 2 B 22 22 SER H H 727 8.956 9.175 -0.219 1
1 1251 . 9 2 2 B 22 22 SER HA H 727 4.771 4.724 0.047 1
1 1254 . 9 2 2 B 22 22 SER CA C 727 56.255 56.987 -0.732 1
1 1255 . 9 2 2 B 22 22 SER CB C 727 62.528 63.042 -0.514 1
1 1256 . 9 2 2 B 22 22 SER N N 727 119.167 121.162 -1.995 1
1 1257 . 9 2 2 B 23 23 PRO HA H 728 4.312 4.349 -0.037 1
1 1264 . 9 2 2 B 23 23 PRO CA C 728 65.953 65.696 0.257 1
1 1265 . 9 2 2 B 23 23 PRO CB C 728 31.810 31.767 0.043 1
1 1268 . 9 2 2 B 24 24 GLU H H 729 8.877 8.591 0.286 1
1 1269 . 9 2 2 B 24 24 GLU HA H 729 4.163 4.070 0.093 1
1 1274 . 9 2 2 B 24 24 GLU CA C 729 59.748 59.646 0.102 1
1 1275 . 9 2 2 B 24 24 GLU CB C 729 28.819 28.926 -0.107 1
1 1277 . 9 2 2 B 24 24 GLU N N 729 116.283 117.279 -0.996 1
1 1278 . 9 2 2 B 25 25 GLU H H 730 7.789 7.502 0.287 1
1 1279 . 9 2 2 B 25 25 GLU HA H 730 3.787 4.036 -0.249 1
1 1284 . 9 2 2 B 25 25 GLU CA C 730 59.266 58.935 0.331 1
1 1285 . 9 2 2 B 25 25 GLU CB C 730 29.501 29.677 -0.176 1
1 1287 . 9 2 2 B 25 25 GLU N N 730 121.298 120.198 1.100 1
1 1288 . 9 2 2 B 26 26 PHE H H 731 8.730 8.605 0.125 1
1 1289 . 9 2 2 B 26 26 PHE HA H 731 4.364 4.219 0.145 1
1 1296 . 9 2 2 B 26 26 PHE CA C 731 59.724 61.275 -1.551 1
1 1297 . 9 2 2 B 26 26 PHE CB C 731 38.230 39.359 -1.129 1
1 1300 . 9 2 2 B 26 26 PHE N N 731 119.543 121.001 -1.458 1
1 1301 . 9 2 2 B 27 27 ASP H H 732 8.587 8.659 -0.072 1
1 1302 . 9 2 2 B 27 27 ASP HA H 732 4.097 4.311 -0.214 1
1 1305 . 9 2 2 B 27 27 ASP CA C 732 57.256 57.990 -0.734 1
1 1306 . 9 2 2 B 27 27 ASP CB C 732 40.421 41.741 -1.320 1
1 1307 . 9 2 2 B 27 27 ASP N N 732 121.549 118.772 2.777 1
1 1308 . 9 2 2 B 28 28 GLU H H 733 7.383 7.928 -0.545 1
1 1309 . 9 2 2 B 28 28 GLU HA H 733 4.155 4.062 0.093 1
1 1314 . 9 2 2 B 28 28 GLU CA C 733 58.749 59.050 -0.301 1
1 1315 . 9 2 2 B 28 28 GLU CB C 733 28.933 29.384 -0.451 1
1 1317 . 9 2 2 B 28 28 GLU N N 733 119.793 119.366 0.427 1
1 1318 . 9 2 2 B 29 29 VAL H H 734 8.246 7.992 0.254 1
1 1319 . 9 2 2 B 29 29 VAL HA H 734 3.595 3.447 0.148 1
1 1327 . 9 2 2 B 29 29 VAL CA C 734 66.219 66.131 0.088 1
1 1328 . 9 2 2 B 29 29 VAL CB C 734 31.362 31.816 -0.454 1
1 1331 . 9 2 2 B 29 29 VAL N N 734 118.540 120.697 -2.157 1
1 1332 . 9 2 2 B 30 30 SER H H 735 8.384 8.193 0.191 1
1 1333 . 9 2 2 B 30 30 SER HA H 735 3.912 3.678 0.234 1
1 1336 . 9 2 2 B 30 30 SER CA C 735 61.703 61.236 0.467 1
1 1337 . 9 2 2 B 30 30 SER CB C 735 62.059 62.616 -0.557 1
1 1338 . 9 2 2 B 30 30 SER N N 735 115.154 114.983 0.171 1
1 1339 . 9 2 2 B 31 31 ARG H H 736 7.683 7.824 -0.141 1
1 1340 . 9 2 2 B 31 31 ARG HA H 736 4.027 4.000 0.027 1
1 1348 . 9 2 2 B 31 31 ARG CA C 736 58.571 58.884 -0.313 1
1 1349 . 9 2 2 B 31 31 ARG CB C 736 30.068 29.699 0.369 1
1 1352 . 9 2 2 B 31 31 ARG N N 736 121.549 121.410 0.139 1
1 1354 . 9 2 2 B 32 32 ILE H H 737 7.703 7.227 0.476 1
1 1355 . 9 2 2 B 32 32 ILE HA H 737 3.859 3.881 -0.022 1
1 1365 . 9 2 2 B 32 32 ILE CA C 737 63.445 64.320 -0.875 1
1 1366 . 9 2 2 B 32 32 ILE CB C 737 38.332 38.257 0.075 1
1 1370 . 9 2 2 B 32 32 ILE N N 737 119.167 120.297 -1.130 1
1 1371 . 9 2 2 B 33 33 VAL H H 738 8.293 7.841 0.452 1
1 1372 . 9 2 2 B 33 33 VAL HA H 738 3.901 3.769 0.132 1
1 1380 . 9 2 2 B 33 33 VAL CA C 738 63.805 65.119 -1.314 1
1 1381 . 9 2 2 B 33 33 VAL CB C 738 32.408 31.691 0.717 1
1 1384 . 9 2 2 B 33 33 VAL N N 738 116.157 119.166 -3.009 1
1 1385 . 9 2 2 B 34 34 GLY H H 739 7.868 7.707 0.161 1
1 1386 . 9 2 2 B 34 34 GLY HA2 H 739 3.813 3.703 0.110 1
1 1387 . 9 2 2 B 34 34 GLY HA3 H 739 4.120 3.722 0.398 1
1 1388 . 9 2 2 B 34 34 GLY CA C 739 44.831 46.616 -1.785 1
1 1389 . 9 2 2 B 34 34 GLY N N 739 108.258 110.640 -2.382 1
1 1390 . 9 2 2 B 35 35 SER H H 740 8.366 7.988 0.378 1
1 1391 . 9 2 2 B 35 35 SER HA H 740 4.389 3.733 0.656 1
1 1394 . 9 2 2 B 35 35 SER CA C 740 58.261 58.894 -0.633 1
1 1395 . 9 2 2 B 35 35 SER CB C 740 62.663 61.598 1.065 1
1 1396 . 9 2 2 B 35 35 SER N N 740 116.408 108.405 8.003 1
1 1397 . 9 2 2 B 36 36 VAL H H 741 7.897 7.356 0.541 1
1 1398 . 9 2 2 B 36 36 VAL HA H 741 4.054 3.968 0.086 1
1 1406 . 9 2 2 B 36 36 VAL CA C 741 61.737 66.162 -4.425 1
1 1407 . 9 2 2 B 36 36 VAL CB C 741 33.084 31.656 1.428 1
1 1410 . 9 2 2 B 36 36 VAL N N 741 122.928 118.602 4.326 1
1 1411 . 9 2 2 B 37 37 GLU H H 742 8.468 8.007 0.461 1
1 1412 . 9 2 2 B 37 37 GLU HA H 742 4.306 4.688 -0.382 1
1 1417 . 9 2 2 B 37 37 GLU CA C 742 55.803 56.044 -0.241 1
1 1418 . 9 2 2 B 37 37 GLU CB C 742 29.029 31.198 -2.169 1
1 1420 . 9 2 2 B 37 37 GLU N N 742 124.057 119.422 4.635 1
1 1421 . 9 2 2 B 38 38 PHE H H 743 8.222 7.948 0.274 1
1 1422 . 9 2 2 B 38 38 PHE HA H 743 4.360 4.056 0.304 1
1 1429 . 9 2 2 B 38 38 PHE CA C 743 59.263 61.745 -2.482 1
1 1430 . 9 2 2 B 38 38 PHE CB C 743 39.524 39.378 0.146 1
1 1433 . 9 2 2 B 38 38 PHE N N 743 122.427 121.826 0.601 1
1 1434 . 9 2 2 B 39 39 ASP H H 744 8.602 8.897 -0.295 1
1 1435 . 9 2 2 B 39 39 ASP HA H 744 4.380 4.421 -0.041 1
1 1438 . 9 2 2 B 39 39 ASP CA C 744 56.495 55.328 1.167 1
1 1439 . 9 2 2 B 39 39 ASP CB C 744 40.119 39.539 0.580 1
1 1440 . 9 2 2 B 39 39 ASP N N 744 120.044 117.934 2.110 1
1 1441 . 9 2 2 B 40 40 SER H H 745 8.143 7.817 0.326 1
1 1442 . 9 2 2 B 40 40 SER HA H 745 4.328 4.847 -0.519 1
1 1445 . 9 2 2 B 40 40 SER CA C 745 59.724 57.686 2.038 1
1 1446 . 9 2 2 B 40 40 SER CB C 745 62.723 64.408 -1.685 1
1 1447 . 9 2 2 B 40 40 SER N N 745 114.527 114.623 -0.096 1
1 1448 . 9 2 2 B 41 41 MET H H 746 7.930 7.626 0.304 1
1 1449 . 9 2 2 B 41 41 MET HA H 746 4.374 4.356 0.018 1
1 1457 . 9 2 2 B 41 41 MET CA C 746 56.244 57.471 -1.227 1
1 1458 . 9 2 2 B 41 41 MET CB C 746 32.502 31.856 0.646 1
1 1461 . 9 2 2 B 41 41 MET N N 746 120.044 121.639 -1.595 1
1 1462 . 9 2 2 B 42 42 MET H H 747 7.784 7.937 -0.153 1
1 1463 . 9 2 2 B 42 42 MET HA H 747 4.232 4.607 -0.375 1
1 1471 . 9 2 2 B 42 42 MET CA C 747 55.830 54.303 1.527 1
1 1472 . 9 2 2 B 42 42 MET CB C 747 32.502 32.938 -0.436 1
1 1475 . 9 2 2 B 42 42 MET N N 747 117.035 115.693 1.342 1
1 1476 . 9 2 2 B 43 43 ASN H H 748 7.960 7.741 0.219 1
1 1477 . 9 2 2 B 43 43 ASN HA H 748 4.831 5.106 -0.275 1
1 1482 . 9 2 2 B 43 43 ASN CA C 748 53.146 51.937 1.209 1
1 1483 . 9 2 2 B 43 43 ASN CB C 748 38.795 41.389 -2.594 1
1 1484 . 9 2 2 B 43 43 ASN N N 748 117.537 117.436 0.101 1
1 1486 . 9 2 2 B 44 44 THR H H 749 8.039 8.763 -0.724 1
1 1487 . 9 2 2 B 44 44 THR HA H 749 4.432 4.068 0.364 1
1 1492 . 9 2 2 B 44 44 THR CA C 749 61.570 65.245 -3.675 1
1 1493 . 9 2 2 B 44 44 THR CB C 749 69.644 68.509 1.135 1
1 1495 . 9 2 2 B 44 44 THR N N 749 114.026 114.799 -0.773 1
1 6 . 10 1 1 A 2 2 PRO HA H 2 4.396 4.307 0.089 1
1 13 . 10 1 1 A 2 2 PRO CA C 2 65.107 65.730 -0.623 1
1 14 . 10 1 1 A 2 2 PRO CB C 2 31.810 31.430 0.380 1
1 17 . 10 1 1 A 3 3 GLN H H 3 8.509 8.386 0.123 1
1 18 . 10 1 1 A 3 3 GLN HA H 3 3.962 4.158 -0.196 1
1 25 . 10 1 1 A 3 3 GLN CA C 3 59.223 57.809 1.414 1
1 26 . 10 1 1 A 3 3 GLN CB C 3 28.119 28.678 -0.559 1
1 28 . 10 1 1 A 3 3 GLN N N 3 117.064 117.701 -0.637 1
1 30 . 10 1 1 A 4 4 GLU H H 4 7.950 8.271 -0.321 1
1 31 . 10 1 1 A 4 4 GLU HA H 4 4.105 4.081 0.024 1
1 36 . 10 1 1 A 4 4 GLU CA C 4 58.778 58.953 -0.175 1
1 37 . 10 1 1 A 4 4 GLU CB C 4 29.734 29.099 0.635 1
1 39 . 10 1 1 A 4 4 GLU N N 4 121.574 121.003 0.571 1
1 40 . 10 1 1 A 5 5 SER H H 5 8.511 7.652 0.859 1
1 41 . 10 1 1 A 5 5 SER HA H 5 4.238 4.067 0.171 1
1 44 . 10 1 1 A 5 5 SER CA C 5 61.377 61.550 -0.173 1
1 45 . 10 1 1 A 5 5 SER CB C 5 62.351 62.955 -0.604 1
1 46 . 10 1 1 A 5 5 SER N N 5 115.674 116.204 -0.530 1
1 47 . 10 1 1 A 6 6 ARG H H 6 8.276 7.950 0.326 1
1 48 . 10 1 1 A 6 6 ARG HA H 6 4.324 4.100 0.224 1
1 55 . 10 1 1 A 6 6 ARG CA C 6 58.988 59.340 -0.352 1
1 56 . 10 1 1 A 6 6 ARG CB C 6 30.426 29.994 0.432 1
1 59 . 10 1 1 A 6 6 ARG N N 6 122.441 121.980 0.461 1
1 60 . 10 1 1 A 7 7 ARG H H 7 8.015 8.037 -0.022 1
1 61 . 10 1 1 A 7 7 ARG HA H 7 3.955 4.158 -0.203 1
1 68 . 10 1 1 A 7 7 ARG CA C 7 59.724 58.721 1.003 1
1 69 . 10 1 1 A 7 7 ARG CB C 7 29.965 30.039 -0.074 1
1 72 . 10 1 1 A 7 7 ARG N N 7 119.491 119.590 -0.099 1
1 73 . 10 1 1 A 8 8 LEU H H 8 8.158 8.646 -0.488 1
1 74 . 10 1 1 A 8 8 LEU HA H 8 4.161 4.060 0.101 1
1 84 . 10 1 1 A 8 8 LEU CA C 8 57.686 57.865 -0.179 1
1 85 . 10 1 1 A 8 8 LEU CB C 8 41.312 41.440 -0.128 1
1 89 . 10 1 1 A 8 8 LEU N N 8 120.359 119.675 0.684 1
1 90 . 10 1 1 A 9 9 SER H H 9 8.090 7.802 0.288 1
1 91 . 10 1 1 A 9 9 SER HA H 9 4.292 4.069 0.223 1
1 94 . 10 1 1 A 9 9 SER CA C 9 61.570 62.600 -1.030 1
1 95 . 10 1 1 A 9 9 SER CB C 9 62.493 62.834 -0.341 1
1 96 . 10 1 1 A 9 9 SER N N 9 116.178 113.994 2.184 1
1 97 . 10 1 1 A 10 10 ILE H H 10 8.396 7.715 0.681 1
1 98 . 10 1 1 A 10 10 ILE HA H 10 3.505 3.456 0.049 1
1 108 . 10 1 1 A 10 10 ILE CA C 10 65.608 65.114 0.494 1
1 109 . 10 1 1 A 10 10 ILE CB C 10 37.706 37.415 0.291 1
1 113 . 10 1 1 A 10 10 ILE N N 10 122.840 121.316 1.524 1
1 114 . 10 1 1 A 11 11 GLN H H 11 8.142 7.954 0.188 1
1 115 . 10 1 1 A 11 11 GLN HA H 11 4.032 3.985 0.047 1
1 122 . 10 1 1 A 11 11 GLN CA C 11 59.060 59.221 -0.161 1
1 123 . 10 1 1 A 11 11 GLN CB C 11 27.888 28.368 -0.480 1
1 125 . 10 1 1 A 11 11 GLN N N 11 119.144 118.739 0.405 1
1 127 . 10 1 1 A 12 12 ARG H H 12 8.330 7.466 0.864 1
1 128 . 10 1 1 A 12 12 ARG HA H 12 4.179 4.011 0.168 1
1 135 . 10 1 1 A 12 12 ARG CA C 12 59.494 59.193 0.301 1
1 136 . 10 1 1 A 12 12 ARG CB C 12 29.734 29.912 -0.178 1
1 138 . 10 1 1 A 12 12 ARG N N 12 120.186 119.048 1.138 1
1 139 . 10 1 1 A 13 13 CYS H H 13 8.242 7.864 0.378 1
1 140 . 10 1 1 A 13 13 CYS HA H 13 4.231 4.097 0.134 1
1 143 . 10 1 1 A 13 13 CYS CA C 13 63.289 63.792 -0.503 1
1 144 . 10 1 1 A 13 13 CYS CB C 13 26.505 27.156 -0.651 1
1 145 . 10 1 1 A 13 13 CYS N N 13 121.574 120.226 1.348 1
1 146 . 10 1 1 A 14 14 ILE H H 14 8.493 8.444 0.049 1
1 147 . 10 1 1 A 14 14 ILE HA H 14 3.787 3.567 0.220 1
1 157 . 10 1 1 A 14 14 ILE CA C 14 64.269 65.332 -1.063 1
1 158 . 10 1 1 A 14 14 ILE CB C 14 36.597 37.815 -1.218 1
1 162 . 10 1 1 A 14 14 ILE N N 14 120.012 119.811 0.201 1
1 163 . 10 1 1 A 15 15 GLN H H 15 8.468 8.242 0.226 1
1 164 . 10 1 1 A 15 15 GLN HA H 15 4.107 4.016 0.091 1
1 171 . 10 1 1 A 15 15 GLN CA C 15 58.969 59.057 -0.088 1
1 172 . 10 1 1 A 15 15 GLN CB C 15 27.843 28.586 -0.743 1
1 174 . 10 1 1 A 15 15 GLN N N 15 119.665 118.805 0.860 1
1 176 . 10 1 1 A 16 16 SER H H 16 8.409 8.041 0.368 1
1 177 . 10 1 1 A 16 16 SER HA H 16 4.424 4.098 0.326 1
1 180 . 10 1 1 A 16 16 SER CA C 16 61.726 62.505 -0.779 1
1 181 . 10 1 1 A 16 16 SER CB C 16 62.564 63.075 -0.511 1
1 182 . 10 1 1 A 16 16 SER N N 16 117.062 116.240 0.822 1
1 183 . 10 1 1 A 17 17 LEU H H 17 8.235 8.043 0.192 1
1 184 . 10 1 1 A 17 17 LEU HA H 17 4.103 4.074 0.029 1
1 194 . 10 1 1 A 17 17 LEU CA C 17 58.340 57.847 0.493 1
1 195 . 10 1 1 A 17 17 LEU CB C 17 41.961 41.619 0.342 1
1 199 . 10 1 1 A 17 17 LEU N N 17 125.564 122.813 2.751 1
1 200 . 10 1 1 A 18 18 VAL H H 18 8.603 8.279 0.324 1
1 201 . 10 1 1 A 18 18 VAL HA H 18 3.261 3.548 -0.287 1
1 209 . 10 1 1 A 18 18 VAL CA C 18 67.097 66.503 0.594 1
1 210 . 10 1 1 A 18 18 VAL CB C 18 31.589 31.512 0.077 1
1 213 . 10 1 1 A 18 18 VAL N N 18 119.665 118.842 0.823 1
1 214 . 10 1 1 A 19 19 HIS H H 19 8.083 8.254 -0.171 1
1 215 . 10 1 1 A 19 19 HIS HA H 19 4.231 4.184 0.047 1
1 219 . 10 1 1 A 19 19 HIS CA C 19 59.641 60.179 -0.538 1
1 220 . 10 1 1 A 19 19 HIS CB C 19 26.966 29.662 -2.696 1
1 222 . 10 1 1 A 19 19 HIS N N 19 116.094 119.312 -3.218 1
1 223 . 10 1 1 A 20 20 ALA H H 20 8.796 8.374 0.422 1
1 224 . 10 1 1 A 20 20 ALA HA H 20 4.308 4.028 0.280 1
1 228 . 10 1 1 A 20 20 ALA CA C 20 55.341 55.161 0.180 1
1 229 . 10 1 1 A 20 20 ALA CB C 20 20.026 18.269 1.757 1
1 230 . 10 1 1 A 20 20 ALA N N 20 121.747 120.410 1.337 1
1 231 . 10 1 1 A 21 21 CYS H H 21 7.909 7.932 -0.023 1
1 232 . 10 1 1 A 21 21 CYS HA H 21 4.294 4.234 0.060 1
1 235 . 10 1 1 A 21 21 CYS CA C 21 61.665 61.083 0.582 1
1 236 . 10 1 1 A 21 21 CYS CB C 21 26.764 26.992 -0.228 1
1 237 . 10 1 1 A 21 21 CYS N N 21 111.875 115.689 -3.814 1
1 238 . 10 1 1 A 22 22 GLN H H 22 7.357 7.800 -0.443 1
1 239 . 10 1 1 A 22 22 GLN HA H 22 4.531 4.415 0.116 1
1 246 . 10 1 1 A 22 22 GLN CA C 22 54.445 55.746 -1.301 1
1 247 . 10 1 1 A 22 22 GLN CB C 22 30.608 30.802 -0.194 1
1 249 . 10 1 1 A 22 22 GLN N N 22 116.021 117.118 -1.097 1
1 251 . 10 1 1 A 23 23 CYS H H 23 7.229 7.423 -0.194 1
1 252 . 10 1 1 A 23 23 CYS HA H 23 3.947 4.311 -0.364 1
1 255 . 10 1 1 A 23 23 CYS CA C 23 59.996 59.253 0.743 1
1 256 . 10 1 1 A 23 23 CYS CB C 23 29.000 28.626 0.374 1
1 257 . 10 1 1 A 23 23 CYS N N 23 124.350 119.050 5.300 1
1 258 . 10 1 1 A 24 24 ARG H H 24 8.966 8.687 0.279 1
1 259 . 10 1 1 A 24 24 ARG HA H 24 4.590 4.608 -0.018 1
1 266 . 10 1 1 A 24 24 ARG CA C 24 54.306 55.925 -1.619 1
1 267 . 10 1 1 A 24 24 ARG CB C 24 29.771 32.340 -2.569 1
1 270 . 10 1 1 A 24 24 ARG N N 24 129.729 122.696 7.033 1
1 271 . 10 1 1 A 25 25 ASN H H 25 7.823 7.050 0.773 1
1 272 . 10 1 1 A 25 25 ASN HA H 25 4.853 4.621 0.232 1
1 277 . 10 1 1 A 25 25 ASN CA C 25 51.372 53.704 -2.332 1
1 278 . 10 1 1 A 25 25 ASN CB C 25 38.727 39.106 -0.379 1
1 279 . 10 1 1 A 25 25 ASN N N 25 120.186 118.384 1.802 1
1 281 . 10 1 1 A 26 26 ALA H H 26 9.248 8.818 0.430 1
1 282 . 10 1 1 A 26 26 ALA HA H 26 4.091 4.093 -0.002 1
1 286 . 10 1 1 A 26 26 ALA CA C 26 54.027 54.528 -0.501 1
1 287 . 10 1 1 A 26 26 ALA CB C 26 18.209 18.694 -0.485 1
1 288 . 10 1 1 A 26 26 ALA N N 26 130.423 125.898 4.525 1
1 289 . 10 1 1 A 27 27 ASN H H 27 8.085 8.003 0.082 1
1 290 . 10 1 1 A 27 27 ASN HA H 27 4.834 4.990 -0.156 1
1 295 . 10 1 1 A 27 27 ASN CA C 27 51.625 52.127 -0.502 1
1 296 . 10 1 1 A 27 27 ASN CB C 27 38.577 39.370 -0.793 1
1 297 . 10 1 1 A 27 27 ASN N N 27 113.766 115.576 -1.810 1
1 299 . 10 1 1 A 28 28 CYS H H 28 7.209 7.769 -0.560 1
1 300 . 10 1 1 A 28 28 CYS HA H 28 4.053 4.359 -0.306 1
1 303 . 10 1 1 A 28 28 CYS CA C 28 61.312 59.732 1.580 1
1 304 . 10 1 1 A 28 28 CYS CB C 28 29.674 29.062 0.612 1
1 305 . 10 1 1 A 28 28 CYS N N 28 123.309 120.878 2.431 1
1 306 . 10 1 1 A 29 29 SER H H 29 8.922 8.587 0.335 1
1 307 . 10 1 1 A 29 29 SER HA H 29 4.609 4.201 0.408 1
1 310 . 10 1 1 A 29 29 SER CA C 29 57.450 60.805 -3.355 1
1 311 . 10 1 1 A 29 29 SER CB C 29 63.604 62.825 0.779 1
1 312 . 10 1 1 A 29 29 SER N N 29 124.870 119.345 5.525 1
1 313 . 10 1 1 A 30 30 LEU H H 30 8.513 7.592 0.921 1
1 314 . 10 1 1 A 30 30 LEU HA H 30 4.497 4.402 0.095 1
1 324 . 10 1 1 A 30 30 LEU CA C 30 53.980 52.913 1.067 1
1 325 . 10 1 1 A 30 30 LEU CB C 30 40.643 41.660 -1.017 1
1 329 . 10 1 1 A 30 30 LEU N N 30 128.341 125.102 3.239 1
1 330 . 10 1 1 A 31 31 PRO HA H 31 4.329 4.304 0.025 1
1 337 . 10 1 1 A 31 31 PRO CA C 31 65.026 64.718 0.308 1
1 338 . 10 1 1 A 31 31 PRO CB C 31 31.580 32.230 -0.650 1
1 341 . 10 1 1 A 32 32 SER H H 32 8.537 8.125 0.412 1
1 342 . 10 1 1 A 32 32 SER HA H 32 4.287 4.202 0.085 1
1 345 . 10 1 1 A 32 32 SER CA C 32 60.277 61.428 -1.151 1
1 346 . 10 1 1 A 32 32 SER CB C 32 62.277 62.502 -0.225 1
1 347 . 10 1 1 A 32 32 SER N N 32 112.551 111.993 0.558 1
1 348 . 10 1 1 A 33 33 CYS H H 33 7.523 8.101 -0.578 1
1 349 . 10 1 1 A 33 33 CYS HA H 33 4.170 3.924 0.246 1
1 352 . 10 1 1 A 33 33 CYS CA C 33 63.408 62.905 0.503 1
1 353 . 10 1 1 A 33 33 CYS CB C 33 29.503 26.535 2.968 1
1 354 . 10 1 1 A 33 33 CYS N N 33 126.085 120.583 5.502 1
1 355 . 10 1 1 A 34 34 GLN H H 34 8.102 7.851 0.251 1
1 356 . 10 1 1 A 34 34 GLN HA H 34 3.963 4.076 -0.113 1
1 359 . 10 1 1 A 34 34 GLN N N 34 115.711 118.951 -3.240 1
1 361 . 10 1 1 A 35 35 LYS H H 35 8.093 7.792 0.301 1
1 362 . 10 1 1 A 35 35 LYS HA H 35 3.994 4.154 -0.160 1
1 371 . 10 1 1 A 35 35 LYS CA C 35 59.502 58.727 0.775 1
1 372 . 10 1 1 A 35 35 LYS CB C 35 32.273 32.640 -0.367 1
1 376 . 10 1 1 A 35 35 LYS N N 35 117.930 120.492 -2.562 1
1 377 . 10 1 1 A 36 36 MET H H 36 8.237 8.664 -0.427 1
1 378 . 10 1 1 A 36 36 MET HA H 36 4.488 4.084 0.404 1
1 386 . 10 1 1 A 36 36 MET CA C 36 56.725 59.317 -2.592 1
1 387 . 10 1 1 A 36 36 MET CB C 36 30.954 32.578 -1.624 1
1 390 . 10 1 1 A 36 36 MET N N 36 117.062 118.509 -1.447 1
1 391 . 10 1 1 A 37 37 LYS H H 37 9.107 8.036 1.071 1
1 392 . 10 1 1 A 37 37 LYS HA H 37 3.900 4.011 -0.111 1
1 401 . 10 1 1 A 37 37 LYS CA C 37 61.097 59.993 1.104 1
1 402 . 10 1 1 A 37 37 LYS CB C 37 32.947 32.206 0.741 1
1 406 . 10 1 1 A 37 37 LYS N N 37 120.186 119.228 0.958 1
1 407 . 10 1 1 A 38 38 ARG H H 38 7.781 7.871 -0.090 1
1 408 . 10 1 1 A 38 38 ARG HA H 38 4.127 4.091 0.036 1
1 413 . 10 1 1 A 38 38 ARG CA C 38 59.263 59.306 -0.043 1
1 414 . 10 1 1 A 38 38 ARG CB C 38 29.965 29.997 -0.032 1
1 416 . 10 1 1 A 38 38 ARG N N 38 118.971 119.483 -0.512 1
1 417 . 10 1 1 A 39 39 VAL H H 39 8.289 7.900 0.389 1
1 418 . 10 1 1 A 39 39 VAL HA H 39 3.539 3.700 -0.161 1
1 426 . 10 1 1 A 39 39 VAL CA C 39 66.989 66.494 0.495 1
1 427 . 10 1 1 A 39 39 VAL CB C 39 31.451 31.699 -0.248 1
1 430 . 10 1 1 A 39 39 VAL N N 39 123.829 119.931 3.898 1
1 431 . 10 1 1 A 40 40 VAL H H 40 8.318 8.422 -0.104 1
1 432 . 10 1 1 A 40 40 VAL HA H 40 3.528 3.780 -0.252 1
1 440 . 10 1 1 A 40 40 VAL CA C 40 67.050 65.245 1.805 1
1 441 . 10 1 1 A 40 40 VAL CB C 40 31.608 31.248 0.360 1
1 444 . 10 1 1 A 40 40 VAL N N 40 119.665 120.451 -0.786 1
1 445 . 10 1 1 A 41 41 GLN H H 41 8.263 8.146 0.117 1
1 446 . 10 1 1 A 41 41 GLN HA H 41 3.974 3.926 0.048 1
1 453 . 10 1 1 A 41 41 GLN CA C 41 58.571 59.231 -0.660 1
1 454 . 10 1 1 A 41 41 GLN CB C 41 28.018 28.351 -0.333 1
1 456 . 10 1 1 A 41 41 GLN N N 41 118.450 121.730 -3.280 1
1 458 . 10 1 1 A 42 42 HIS H H 42 8.309 7.927 0.382 1
1 459 . 10 1 1 A 42 42 HIS HA H 42 4.215 4.351 -0.136 1
1 463 . 10 1 1 A 42 42 HIS CA C 42 59.402 59.396 0.006 1
1 464 . 10 1 1 A 42 42 HIS CB C 42 26.966 30.505 -3.539 1
1 466 . 10 1 1 A 42 42 HIS N N 42 118.971 120.037 -1.066 1
1 467 . 10 1 1 A 43 43 THR H H 43 8.056 8.101 -0.045 1
1 468 . 10 1 1 A 43 43 THR HA H 43 3.929 3.895 0.034 1
1 474 . 10 1 1 A 43 43 THR CA C 43 66.101 67.172 -1.071 1
1 475 . 10 1 1 A 43 43 THR CB C 43 69.107 68.415 0.692 1
1 477 . 10 1 1 A 43 43 THR N N 43 114.320 113.762 0.558 1
1 478 . 10 1 1 A 44 44 LYS H H 44 7.531 7.844 -0.313 1
1 479 . 10 1 1 A 44 44 LYS HA H 44 4.085 4.202 -0.117 1
1 488 . 10 1 1 A 44 44 LYS CA C 44 58.682 58.336 0.346 1
1 489 . 10 1 1 A 44 44 LYS CB C 44 32.024 32.191 -0.167 1
1 493 . 10 1 1 A 44 44 LYS N N 44 120.012 118.910 1.102 1
1 494 . 10 1 1 A 45 45 GLY H H 45 7.143 7.607 -0.464 1
1 495 . 10 1 1 A 45 45 GLY HA2 H 45 3.625 4.071 -0.446 1
1 496 . 10 1 1 A 45 45 GLY HA3 H 45 4.387 4.090 0.297 1
1 497 . 10 1 1 A 45 45 GLY CA C 45 44.289 45.546 -1.257 1
1 498 . 10 1 1 A 45 45 GLY N N 45 103.528 106.489 -2.961 1
1 499 . 10 1 1 A 46 46 CYS H H 46 6.988 7.204 -0.216 1
1 500 . 10 1 1 A 46 46 CYS HA H 46 3.955 4.332 -0.377 1
1 503 . 10 1 1 A 46 46 CYS CA C 46 60.654 59.295 1.359 1
1 504 . 10 1 1 A 46 46 CYS CB C 46 29.793 28.383 1.410 1
1 505 . 10 1 1 A 46 46 CYS N N 46 123.656 120.117 3.539 1
1 506 . 10 1 1 A 47 47 LYS H H 47 9.060 9.280 -0.220 1
1 507 . 10 1 1 A 47 47 LYS HA H 47 4.489 4.418 0.071 1
1 516 . 10 1 1 A 47 47 LYS CA C 47 56.127 57.171 -1.044 1
1 517 . 10 1 1 A 47 47 LYS CB C 47 32.393 32.840 -0.447 1
1 521 . 10 1 1 A 47 47 LYS N N 47 127.820 126.751 1.069 1
1 522 . 10 1 1 A 48 48 ARG H H 48 8.537 7.619 0.918 1
1 523 . 10 1 1 A 48 48 ARG HA H 48 4.330 4.480 -0.150 1
1 530 . 10 1 1 A 48 48 ARG CA C 48 57.648 56.477 1.171 1
1 531 . 10 1 1 A 48 48 ARG CB C 48 31.810 32.583 -0.773 1
1 534 . 10 1 1 A 48 48 ARG N N 48 122.615 116.945 5.670 1
1 535 . 10 1 1 A 49 49 LYS H H 49 8.522 8.004 0.518 1
1 536 . 10 1 1 A 49 49 LYS HA H 49 4.554 4.320 0.234 1
1 545 . 10 1 1 A 49 49 LYS CA C 49 57.417 57.580 -0.163 1
1 546 . 10 1 1 A 49 49 LYS CB C 49 31.543 32.676 -1.133 1
1 550 . 10 1 1 A 49 49 LYS N N 49 117.583 119.659 -2.076 1
1 551 . 10 1 1 A 50 50 THR H H 50 7.992 8.787 -0.795 1
1 552 . 10 1 1 A 50 50 THR HA H 50 4.127 3.933 0.194 1
1 557 . 10 1 1 A 50 50 THR CA C 50 63.985 65.832 -1.847 1
1 558 . 10 1 1 A 50 50 THR CB C 50 68.157 68.259 -0.102 1
1 560 . 10 1 1 A 50 50 THR N N 50 113.245 113.814 -0.569 1
1 561 . 10 1 1 A 51 51 ASN H H 51 8.888 8.477 0.411 1
1 562 . 10 1 1 A 51 51 ASN HA H 51 4.665 4.498 0.167 1
1 567 . 10 1 1 A 51 51 ASN CA C 51 54.159 55.898 -1.739 1
1 568 . 10 1 1 A 51 51 ASN CB C 51 37.857 38.217 -0.360 1
1 570 . 10 1 1 A 52 52 GLY H H 52 7.972 8.021 -0.049 1
1 571 . 10 1 1 A 52 52 GLY HA2 H 52 3.893 3.933 -0.040 1
1 572 . 10 1 1 A 52 52 GLY HA3 H 52 4.101 3.937 0.164 1
1 573 . 10 1 1 A 52 52 GLY CA C 52 45.368 45.705 -0.337 1
1 574 . 10 1 1 A 52 52 GLY N N 52 106.651 107.122 -0.471 1
1 575 . 10 1 1 A 53 53 GLY H H 53 7.765 8.072 -0.307 1
1 576 . 10 1 1 A 53 53 GLY HA2 H 53 3.837 4.072 -0.235 1
1 577 . 10 1 1 A 53 53 GLY HA3 H 53 4.079 4.073 0.006 1
1 578 . 10 1 1 A 53 53 GLY CA C 53 45.227 44.993 0.234 1
1 579 . 10 1 1 A 53 53 GLY N N 53 107.519 106.873 0.646 1
1 580 . 10 1 1 A 54 54 CYS H H 54 8.099 7.897 0.202 1
1 581 . 10 1 1 A 54 54 CYS HA H 54 4.720 4.612 0.108 1
1 584 . 10 1 1 A 54 54 CYS CA C 54 55.572 57.232 -1.660 1
1 585 . 10 1 1 A 54 54 CYS CB C 54 30.216 28.697 1.519 1
1 586 . 10 1 1 A 54 54 CYS N N 54 122.615 119.866 2.749 1
1 587 . 10 1 1 A 55 55 PRO HA H 55 4.237 4.468 -0.231 1
1 594 . 10 1 1 A 55 55 PRO CA C 55 64.757 64.140 0.617 1
1 595 . 10 1 1 A 55 55 PRO CB C 55 32.311 32.019 0.292 1
1 598 . 10 1 1 A 56 56 VAL H H 56 7.645 7.289 0.356 1
1 599 . 10 1 1 A 56 56 VAL HA H 56 3.384 3.682 -0.298 1
1 607 . 10 1 1 A 56 56 VAL CA C 56 66.184 66.225 -0.041 1
1 608 . 10 1 1 A 56 56 VAL CB C 56 32.502 31.508 0.994 1
1 611 . 10 1 1 A 56 56 VAL N N 56 121.227 116.848 4.379 1
1 612 . 10 1 1 A 57 57 CYS H H 57 8.565 8.254 0.311 1
1 613 . 10 1 1 A 57 57 CYS HA H 57 4.034 4.084 -0.050 1
1 616 . 10 1 1 A 57 57 CYS CA C 57 65.746 63.444 2.302 1
1 617 . 10 1 1 A 57 57 CYS CB C 57 29.273 27.205 2.068 1
1 618 . 10 1 1 A 57 57 CYS N N 57 122.615 117.727 4.888 1
1 619 . 10 1 1 A 58 58 LYS H H 58 7.956 8.111 -0.155 1
1 620 . 10 1 1 A 58 58 LYS HA H 58 3.874 3.832 0.042 1
1 629 . 10 1 1 A 58 58 LYS CA C 58 59.955 59.393 0.562 1
1 630 . 10 1 1 A 58 58 LYS CB C 58 32.272 32.180 0.092 1
1 634 . 10 1 1 A 58 58 LYS N N 58 116.889 121.085 -4.196 1
1 635 . 10 1 1 A 59 59 GLN H H 59 7.359 7.728 -0.369 1
1 636 . 10 1 1 A 59 59 GLN HA H 59 3.789 4.056 -0.267 1
1 643 . 10 1 1 A 59 59 GLN CA C 59 60.647 58.778 1.869 1
1 644 . 10 1 1 A 59 59 GLN CB C 59 27.196 28.158 -0.962 1
1 646 . 10 1 1 A 59 59 GLN N N 59 116.889 118.764 -1.875 1
1 648 . 10 1 1 A 60 60 LEU H H 60 8.303 7.723 0.580 1
1 649 . 10 1 1 A 60 60 LEU HA H 60 4.093 3.994 0.099 1
1 659 . 10 1 1 A 60 60 LEU CA C 60 58.110 57.911 0.199 1
1 660 . 10 1 1 A 60 60 LEU CB C 60 40.807 41.777 -0.970 1
1 664 . 10 1 1 A 60 60 LEU N N 60 118.103 119.388 -1.285 1
1 665 . 10 1 1 A 61 61 ILE H H 61 8.804 7.785 1.019 1
1 666 . 10 1 1 A 61 61 ILE HA H 61 3.801 3.509 0.292 1
1 676 . 10 1 1 A 61 61 ILE CA C 61 63.416 65.676 -2.260 1
1 677 . 10 1 1 A 61 61 ILE CB C 61 36.886 37.456 -0.570 1
1 681 . 10 1 1 A 61 61 ILE N N 61 118.624 119.117 -0.493 1
1 682 . 10 1 1 A 62 62 ALA H H 62 7.796 7.277 0.519 1
1 683 . 10 1 1 A 62 62 ALA HA H 62 4.058 4.098 -0.040 1
1 687 . 10 1 1 A 62 62 ALA CA C 62 56.030 55.325 0.705 1
1 688 . 10 1 1 A 62 62 ALA CB C 62 18.068 18.081 -0.013 1
1 689 . 10 1 1 A 62 62 ALA N N 62 124.003 121.204 2.799 1
1 690 . 10 1 1 A 63 63 LEU H H 63 8.011 7.715 0.296 1
1 691 . 10 1 1 A 63 63 LEU HA H 63 4.077 4.086 -0.009 1
1 701 . 10 1 1 A 63 63 LEU CA C 63 58.110 57.846 0.264 1
1 702 . 10 1 1 A 63 63 LEU CB C 63 42.116 41.270 0.846 1
1 706 . 10 1 1 A 63 63 LEU N N 63 117.583 119.496 -1.913 1
1 707 . 10 1 1 A 64 64 CYS H H 64 8.818 8.596 0.222 1
1 708 . 10 1 1 A 64 64 CYS HA H 64 4.053 4.311 -0.258 1
1 711 . 10 1 1 A 64 64 CYS CA C 64 64.800 62.806 1.994 1
1 712 . 10 1 1 A 64 64 CYS CB C 64 26.504 26.986 -0.482 1
1 713 . 10 1 1 A 64 64 CYS N N 64 118.277 117.038 1.239 1
1 714 . 10 1 1 A 65 65 CYS H H 65 8.793 8.618 0.175 1
1 715 . 10 1 1 A 65 65 CYS HA H 65 4.258 4.126 0.132 1
1 718 . 10 1 1 A 65 65 CYS CA C 65 63.646 63.900 -0.254 1
1 719 . 10 1 1 A 65 65 CYS CB C 65 26.966 27.055 -0.089 1
1 720 . 10 1 1 A 65 65 CYS N N 65 118.971 119.287 -0.316 1
1 721 . 10 1 1 A 66 66 TYR H H 66 8.369 8.464 -0.095 1
1 722 . 10 1 1 A 66 66 TYR HA H 66 4.034 4.269 -0.235 1
1 729 . 10 1 1 A 66 66 TYR CA C 66 60.886 61.806 -0.920 1
1 730 . 10 1 1 A 66 66 TYR CB C 66 37.808 38.380 -0.572 1
1 733 . 10 1 1 A 66 66 TYR N N 66 121.574 122.543 -0.969 1
1 734 . 10 1 1 A 67 67 HIS H H 67 8.633 7.920 0.713 1
1 735 . 10 1 1 A 67 67 HIS HA H 67 4.318 4.347 -0.029 1
1 740 . 10 1 1 A 67 67 HIS CA C 67 58.998 60.306 -1.308 1
1 741 . 10 1 1 A 67 67 HIS CB C 67 27.409 30.044 -2.635 1
1 744 . 10 1 1 A 67 67 HIS N N 67 117.409 119.017 -1.608 1
1 745 . 10 1 1 A 68 68 ALA H H 68 8.725 8.692 0.033 1
1 746 . 10 1 1 A 68 68 ALA HA H 68 4.019 3.923 0.096 1
1 750 . 10 1 1 A 68 68 ALA CA C 68 54.690 55.326 -0.636 1
1 751 . 10 1 1 A 68 68 ALA CB C 68 19.964 18.407 1.557 1
1 752 . 10 1 1 A 68 68 ALA N N 68 122.094 120.876 1.218 1
1 753 . 10 1 1 A 69 69 LYS H H 69 7.362 8.167 -0.805 1
1 754 . 10 1 1 A 69 69 LYS HA H 69 3.736 3.896 -0.160 1
1 763 . 10 1 1 A 69 69 LYS CA C 69 58.137 59.301 -1.164 1
1 764 . 10 1 1 A 69 69 LYS CB C 69 32.224 32.179 0.045 1
1 768 . 10 1 1 A 69 69 LYS N N 69 114.807 117.620 -2.813 1
1 769 . 10 1 1 A 70 70 HIS H H 70 7.011 7.601 -0.590 1
1 770 . 10 1 1 A 70 70 HIS HA H 70 4.697 4.330 0.367 1
1 774 . 10 1 1 A 70 70 HIS CA C 70 54.835 57.847 -3.012 1
1 775 . 10 1 1 A 70 70 HIS CB C 70 30.477 30.802 -0.325 1
1 777 . 10 1 1 A 70 70 HIS N N 70 112.898 113.678 -0.780 1
1 778 . 10 1 1 A 71 71 CYS H H 71 7.012 7.521 -0.509 1
1 779 . 10 1 1 A 71 71 CYS HA H 71 4.032 4.206 -0.174 1
1 782 . 10 1 1 A 71 71 CYS CA C 71 59.948 59.945 0.003 1
1 783 . 10 1 1 A 71 71 CYS CB C 71 29.752 27.969 1.783 1
1 784 . 10 1 1 A 71 71 CYS N N 71 123.829 117.347 6.482 1
1 785 . 10 1 1 A 72 72 GLN H H 72 9.181 8.853 0.328 1
1 786 . 10 1 1 A 72 72 GLN HA H 72 4.674 4.570 0.104 1
1 793 . 10 1 1 A 72 72 GLN CA C 72 54.224 55.555 -1.331 1
1 794 . 10 1 1 A 72 72 GLN CB C 72 29.049 30.665 -1.616 1
1 796 . 10 1 1 A 72 72 GLN N N 72 128.341 122.233 6.108 1
1 798 . 10 1 1 A 73 73 GLU H H 73 8.396 7.264 1.132 1
1 799 . 10 1 1 A 73 73 GLU HA H 73 4.389 4.269 0.120 1
1 804 . 10 1 1 A 73 73 GLU CA C 73 55.341 56.694 -1.353 1
1 805 . 10 1 1 A 73 73 GLU CB C 73 30.239 30.785 -0.546 1
1 807 . 10 1 1 A 73 73 GLU N N 73 123.309 122.350 0.959 1
1 808 . 10 1 1 A 74 74 ASN H H 74 8.921 9.075 -0.154 1
1 809 . 10 1 1 A 74 74 ASN HA H 74 4.538 4.908 -0.370 1
1 814 . 10 1 1 A 74 74 ASN CA C 74 54.666 53.223 1.443 1
1 815 . 10 1 1 A 74 74 ASN CB C 74 38.301 39.449 -1.148 1
1 816 . 10 1 1 A 74 74 ASN N N 74 124.870 122.115 2.755 1
1 818 . 10 1 1 A 75 75 LYS H H 75 8.847 7.834 1.013 1
1 819 . 10 1 1 A 75 75 LYS HA H 75 4.442 4.618 -0.176 1
1 828 . 10 1 1 A 75 75 LYS CA C 75 54.327 55.289 -0.962 1
1 829 . 10 1 1 A 75 75 LYS CB C 75 30.837 33.157 -2.320 1
1 833 . 10 1 1 A 75 75 LYS N N 75 121.574 116.900 4.674 1
1 834 . 10 1 1 A 76 76 CYS H H 76 7.191 7.348 -0.157 1
1 835 . 10 1 1 A 76 76 CYS HA H 76 4.389 4.408 -0.019 1
1 838 . 10 1 1 A 76 76 CYS CA C 76 57.270 57.838 -0.568 1
1 839 . 10 1 1 A 76 76 CYS CB C 76 30.613 28.209 2.404 1
1 840 . 10 1 1 A 76 76 CYS N N 76 124.350 121.587 2.763 1
1 841 . 10 1 1 A 77 77 PRO HA H 77 4.673 4.461 0.212 1
1 848 . 10 1 1 A 77 77 PRO CA C 77 62.878 64.318 -1.440 1
1 849 . 10 1 1 A 77 77 PRO CB C 77 31.950 31.986 -0.036 1
1 852 . 10 1 1 A 78 78 VAL H H 78 8.974 7.732 1.242 1
1 853 . 10 1 1 A 78 78 VAL HA H 78 4.187 4.176 0.011 1
1 861 . 10 1 1 A 78 78 VAL CA C 78 61.637 61.096 0.541 1
1 862 . 10 1 1 A 78 78 VAL CB C 78 31.654 32.307 -0.653 1
1 865 . 10 1 1 A 78 78 VAL N N 78 128.688 119.726 8.962 1
1 866 . 10 1 1 A 79 79 PRO HA H 79 3.938 4.294 -0.356 1
1 873 . 10 1 1 A 79 79 PRO CA C 79 63.962 65.077 -1.115 1
1 874 . 10 1 1 A 79 79 PRO CB C 79 30.887 31.986 -1.099 1
1 877 . 10 1 1 A 80 80 PHE HA H 80 4.350 4.347 0.003 1
1 884 . 10 1 1 A 80 80 PHE CA C 80 59.032 60.050 -1.018 1
1 885 . 10 1 1 A 80 80 PHE CB C 80 37.686 38.766 -1.080 1
1 888 . 10 1 1 A 81 81 CYS H H 81 7.686 8.301 -0.615 1
1 889 . 10 1 1 A 81 81 CYS HA H 81 4.001 4.157 -0.156 1
1 892 . 10 1 1 A 81 81 CYS CA C 81 64.779 62.533 2.246 1
1 893 . 10 1 1 A 81 81 CYS CB C 81 29.524 26.675 2.849 1
1 894 . 10 1 1 A 81 81 CYS N N 81 124.176 118.736 5.440 1
1 895 . 10 1 1 A 82 82 LEU H H 82 8.267 8.307 -0.040 1
1 896 . 10 1 1 A 82 82 LEU HA H 82 4.010 3.764 0.246 1
1 906 . 10 1 1 A 82 82 LEU CA C 82 58.340 58.041 0.299 1
1 907 . 10 1 1 A 82 82 LEU CB C 82 40.862 41.606 -0.744 1
1 911 . 10 1 1 A 82 82 LEU N N 82 114.980 121.318 -6.338 1
1 912 . 10 1 1 A 83 83 ASN H H 83 7.917 8.318 -0.401 1
1 913 . 10 1 1 A 83 83 ASN HA H 83 4.490 4.755 -0.265 1
1 918 . 10 1 1 A 83 83 ASN CA C 83 56.061 56.577 -0.516 1
1 919 . 10 1 1 A 83 83 ASN CB C 83 38.494 38.505 -0.011 1
1 920 . 10 1 1 A 83 83 ASN N N 83 116.542 117.002 -0.460 1
1 922 . 10 1 1 A 84 84 ILE H H 84 8.788 8.202 0.586 1
1 923 . 10 1 1 A 84 84 ILE HA H 84 3.734 3.762 -0.028 1
1 933 . 10 1 1 A 84 84 ILE CA C 84 65.142 65.055 0.087 1
1 934 . 10 1 1 A 84 84 ILE CB C 84 38.039 37.714 0.325 1
1 938 . 10 1 1 A 84 84 ILE N N 84 121.747 120.766 0.981 1
1 939 . 10 1 1 A 85 85 LYS H H 85 8.954 8.585 0.369 1
1 940 . 10 1 1 A 85 85 LYS HA H 85 3.839 3.938 -0.099 1
1 949 . 10 1 1 A 85 85 LYS CA C 85 60.936 59.408 1.528 1
1 950 . 10 1 1 A 85 85 LYS CB C 85 32.041 32.105 -0.064 1
1 954 . 10 1 1 A 85 85 LYS N N 85 119.665 120.554 -0.889 1
1 955 . 10 1 1 A 86 86 HIS H H 86 8.043 8.073 -0.030 1
1 956 . 10 1 1 A 86 86 HIS HA H 86 4.411 4.258 0.153 1
1 960 . 10 1 1 A 86 86 HIS CA C 86 58.746 59.551 -0.805 1
1 961 . 10 1 1 A 86 86 HIS CB C 86 30.067 29.989 0.078 1
1 963 . 10 1 1 A 86 86 HIS N N 86 116.542 118.364 -1.822 1
1 964 . 10 1 1 A 87 87 LYS H H 87 7.822 7.671 0.151 1
1 965 . 10 1 1 A 87 87 LYS HA H 87 4.158 3.926 0.232 1
1 968 . 10 1 1 A 87 87 LYS CA C 87 57.879 59.342 -1.463 1
1 969 . 10 1 1 A 87 87 LYS N N 87 119.318 118.643 0.675 1
1 970 . 10 1 1 A 88 88 LEU H H 88 8.405 8.572 -0.167 1
1 971 . 10 1 1 A 88 88 LEU HA H 88 4.194 4.019 0.175 1
1 981 . 10 1 1 A 88 88 LEU CA C 88 56.289 57.876 -1.587 1
1 982 . 10 1 1 A 88 88 LEU CB C 88 41.692 40.918 0.774 1
1 986 . 10 1 1 A 88 88 LEU N N 88 119.144 119.750 -0.606 1
1 987 . 10 1 1 A 89 89 ARG H H 89 7.826 8.463 -0.637 1
1 988 . 10 1 1 A 89 89 ARG HA H 89 4.271 3.991 0.280 1
1 995 . 10 1 1 A 89 89 ARG CA C 89 56.666 59.504 -2.838 1
1 996 . 10 1 1 A 89 89 ARG CB C 89 29.965 29.669 0.296 1
1 999 . 10 1 1 A 89 89 ARG N N 89 118.450 118.895 -0.445 1
1 1000 . 10 1 1 A 90 90 GLN H H 90 7.935 7.819 0.116 1
1 1001 . 10 1 1 A 90 90 GLN HA H 90 4.270 4.278 -0.008 1
1 1008 . 10 1 1 A 90 90 GLN CA C 90 55.840 57.680 -1.840 1
1 1009 . 10 1 1 A 90 90 GLN CB C 90 28.989 28.879 0.110 1
1 1011 . 10 1 1 A 90 90 GLN N N 90 119.318 118.655 0.663 1
1 1013 . 10 1 1 A 91 91 GLN H H 91 8.141 7.952 0.189 1
1 1014 . 10 1 1 A 91 91 GLN HA H 91 4.352 4.148 0.204 1
1 1021 . 10 1 1 A 91 91 GLN CA C 91 55.581 58.120 -2.539 1
1 1022 . 10 1 1 A 91 91 GLN CB C 91 29.284 28.723 0.561 1
1 1024 . 10 1 1 A 91 91 GLN N N 91 120.706 117.882 2.824 1
1 1043 . 10 2 2 B 2 2 SER CB C 707 63.646 63.419 0.227 1
1 1044 . 10 2 2 B 3 3 HIS HA H 708 4.663 5.148 -0.485 1
1 1047 . 10 2 2 B 3 3 HIS CA C 708 56.033 54.305 1.728 1
1 1048 . 10 2 2 B 3 3 HIS CB C 708 30.146 32.164 -2.018 1
1 1053 . 10 2 2 B 5 5 SER H H 710 8.437 8.611 -0.174 1
1 1054 . 10 2 2 B 5 5 SER HA H 710 4.429 4.837 -0.408 1
1 1057 . 10 2 2 B 5 5 SER CA C 710 58.340 57.218 1.122 1
1 1058 . 10 2 2 B 5 5 SER CB C 710 63.416 64.829 -1.413 1
1 1059 . 10 2 2 B 5 5 SER N N 710 117.160 113.350 3.810 1
1 1060 . 10 2 2 B 6 6 GLU H H 711 8.458 7.957 0.501 1
1 1061 . 10 2 2 B 6 6 GLU HA H 711 4.311 4.456 -0.145 1
1 1066 . 10 2 2 B 6 6 GLU CA C 711 56.033 56.614 -0.581 1
1 1067 . 10 2 2 B 6 6 GLU CB C 711 30.223 30.046 0.177 1
1 1069 . 10 2 2 B 6 6 GLU N N 711 123.053 120.012 3.041 1
1 1070 . 10 2 2 B 7 7 VAL H H 712 8.150 7.250 0.900 1
1 1071 . 10 2 2 B 7 7 VAL HA H 712 4.050 3.941 0.109 1
1 1079 . 10 2 2 B 7 7 VAL CA C 712 61.801 63.434 -1.633 1
1 1080 . 10 2 2 B 7 7 VAL CB C 712 32.041 31.609 0.432 1
1 1083 . 10 2 2 B 7 7 VAL N N 712 121.173 122.037 -0.864 1
1 1084 . 10 2 2 B 8 8 HIS H H 713 8.495 8.522 -0.027 1
1 1085 . 10 2 2 B 8 8 HIS HA H 713 4.914 4.854 0.060 1
1 1089 . 10 2 2 B 8 8 HIS CA C 713 53.945 54.429 -0.484 1
1 1090 . 10 2 2 B 8 8 HIS CB C 713 30.218 34.631 -4.413 1
1 1092 . 10 2 2 B 8 8 HIS N N 713 125.310 125.670 -0.360 1
1 1093 . 10 2 2 B 9 9 PRO HA H 714 4.430 4.484 -0.054 1
1 1100 . 10 2 2 B 9 9 PRO CA C 714 63.409 62.582 0.827 1
1 1101 . 10 2 2 B 9 9 PRO CB C 714 32.018 33.071 -1.053 1
1 1104 . 10 2 2 B 10 10 SER H H 715 8.889 8.803 0.086 1
1 1105 . 10 2 2 B 10 10 SER HA H 715 4.437 4.873 -0.436 1
1 1108 . 10 2 2 B 10 10 SER CA C 715 58.571 56.896 1.675 1
1 1109 . 10 2 2 B 10 10 SER CB C 715 63.213 65.158 -1.945 1
1 1110 . 10 2 2 B 10 10 SER N N 715 116.533 116.327 0.206 1
1 1111 . 10 2 2 B 11 11 ARG H H 716 8.442 8.517 -0.075 1
1 1112 . 10 2 2 B 11 11 ARG HA H 716 4.388 4.381 0.007 1
1 1119 . 10 2 2 B 11 11 ARG CA C 716 55.882 56.816 -0.934 1
1 1120 . 10 2 2 B 11 11 ARG CB C 716 30.395 30.439 -0.044 1
1 1123 . 10 2 2 B 11 11 ARG N N 716 122.803 124.906 -2.103 1
1 1124 . 10 2 2 B 12 12 LEU H H 717 8.133 8.661 -0.528 1
1 1125 . 10 2 2 B 12 12 LEU HA H 717 4.356 4.680 -0.324 1
1 1135 . 10 2 2 B 12 12 LEU CA C 717 54.880 53.820 1.060 1
1 1136 . 10 2 2 B 12 12 LEU CB C 717 42.081 42.800 -0.719 1
1 1140 . 10 2 2 B 12 12 LEU N N 717 122.552 128.035 -5.483 1
1 1141 . 10 2 2 B 13 13 GLN H H 718 8.440 7.850 0.590 1
1 1142 . 10 2 2 B 13 13 GLN HA H 718 4.454 4.565 -0.111 1
1 1149 . 10 2 2 B 13 13 GLN CA C 718 55.341 55.250 0.091 1
1 1150 . 10 2 2 B 13 13 GLN CB C 718 29.285 29.919 -0.634 1
1 1152 . 10 2 2 B 13 13 GLN N N 718 121.298 121.082 0.216 1
1 1154 . 10 2 2 B 14 14 THR H H 719 8.257 7.352 0.905 1
1 1155 . 10 2 2 B 14 14 THR HA H 719 4.438 4.715 -0.277 1
1 1160 . 10 2 2 B 14 14 THR CA C 719 61.339 59.272 2.067 1
1 1161 . 10 2 2 B 14 14 THR CB C 719 69.456 72.585 -3.129 1
1 1163 . 10 2 2 B 14 14 THR N N 719 115.154 110.325 4.829 1
1 1164 . 10 2 2 B 15 15 THR H H 720 8.240 8.872 -0.632 1
1 1165 . 10 2 2 B 15 15 THR HA H 720 4.275 3.971 0.304 1
1 1170 . 10 2 2 B 15 15 THR CA C 720 61.967 66.123 -4.156 1
1 1171 . 10 2 2 B 15 15 THR CB C 720 69.183 68.504 0.679 1
1 1173 . 10 2 2 B 15 15 THR N N 720 115.029 116.894 -1.865 1
1 1174 . 10 2 2 B 16 16 ASP H H 721 8.293 8.995 -0.702 1
1 1175 . 10 2 2 B 16 16 ASP HA H 721 4.494 4.421 0.073 1
1 1178 . 10 2 2 B 16 16 ASP CA C 721 54.880 55.612 -0.732 1
1 1179 . 10 2 2 B 16 16 ASP CB C 721 40.891 39.295 1.596 1
1 1180 . 10 2 2 B 16 16 ASP N N 721 122.427 120.195 2.232 1
1 1181 . 10 2 2 B 17 17 ASN H H 722 8.272 7.670 0.602 1
1 1182 . 10 2 2 B 17 17 ASN HA H 722 4.577 4.907 -0.330 1
1 1187 . 10 2 2 B 17 17 ASN CA C 722 53.330 53.341 -0.011 1
1 1188 . 10 2 2 B 17 17 ASN CB C 722 38.332 39.773 -1.441 1
1 1189 . 10 2 2 B 17 17 ASN N N 722 118.916 117.298 1.618 1
1 1191 . 10 2 2 B 18 18 LEU H H 723 8.204 7.653 0.551 1
1 1192 . 10 2 2 B 18 18 LEU HA H 723 4.191 4.183 0.008 1
1 1202 . 10 2 2 B 18 18 LEU CA C 723 54.200 57.241 -3.041 1
1 1203 . 10 2 2 B 18 18 LEU CB C 723 43.545 41.436 2.109 1
1 1207 . 10 2 2 B 18 18 LEU N N 723 121.173 118.931 2.242 1
1 1208 . 10 2 2 B 19 19 LEU H H 724 7.416 7.475 -0.059 1
1 1209 . 10 2 2 B 19 19 LEU HA H 724 4.273 4.336 -0.063 1
1 1219 . 10 2 2 B 19 19 LEU CA C 724 52.415 53.916 -1.501 1
1 1220 . 10 2 2 B 19 19 LEU CB C 724 40.471 42.179 -1.708 1
1 1224 . 10 2 2 B 19 19 LEU N N 724 117.286 121.283 -3.997 1
1 1225 . 10 2 2 B 20 20 PRO HA H 725 4.271 4.517 -0.246 1
1 1232 . 10 2 2 B 20 20 PRO CA C 725 63.877 64.171 -0.294 1
1 1233 . 10 2 2 B 20 20 PRO CB C 725 32.716 31.771 0.945 1
1 1236 . 10 2 2 B 21 21 MET H H 726 8.932 7.594 1.338 1
1 1237 . 10 2 2 B 21 21 MET HA H 726 4.841 4.799 0.042 1
1 1245 . 10 2 2 B 21 21 MET CA C 726 54.199 54.397 -0.198 1
1 1246 . 10 2 2 B 21 21 MET CB C 726 36.939 35.792 1.147 1
1 1249 . 10 2 2 B 21 21 MET N N 726 116.784 119.049 -2.265 1
1 1250 . 10 2 2 B 22 22 SER H H 727 8.956 9.224 -0.268 1
1 1251 . 10 2 2 B 22 22 SER HA H 727 4.771 4.702 0.069 1
1 1254 . 10 2 2 B 22 22 SER CA C 727 56.255 57.083 -0.828 1
1 1255 . 10 2 2 B 22 22 SER CB C 727 62.528 62.998 -0.470 1
1 1256 . 10 2 2 B 22 22 SER N N 727 119.167 120.955 -1.788 1
1 1257 . 10 2 2 B 23 23 PRO HA H 728 4.312 4.326 -0.014 1
1 1264 . 10 2 2 B 23 23 PRO CA C 728 65.953 65.460 0.493 1
1 1265 . 10 2 2 B 23 23 PRO CB C 728 31.810 31.936 -0.126 1
1 1268 . 10 2 2 B 24 24 GLU H H 729 8.877 8.514 0.363 1
1 1269 . 10 2 2 B 24 24 GLU HA H 729 4.163 4.081 0.082 1
1 1274 . 10 2 2 B 24 24 GLU CA C 729 59.748 59.228 0.520 1
1 1275 . 10 2 2 B 24 24 GLU CB C 729 28.819 28.969 -0.150 1
1 1277 . 10 2 2 B 24 24 GLU N N 729 116.283 117.170 -0.887 1
1 1278 . 10 2 2 B 25 25 GLU H H 730 7.789 7.701 0.088 1
1 1279 . 10 2 2 B 25 25 GLU HA H 730 3.787 4.158 -0.371 1
1 1284 . 10 2 2 B 25 25 GLU CA C 730 59.266 58.902 0.364 1
1 1285 . 10 2 2 B 25 25 GLU CB C 730 29.501 29.975 -0.474 1
1 1287 . 10 2 2 B 25 25 GLU N N 730 121.298 120.001 1.297 1
1 1288 . 10 2 2 B 26 26 PHE H H 731 8.730 8.553 0.177 1
1 1289 . 10 2 2 B 26 26 PHE HA H 731 4.364 4.167 0.197 1
1 1296 . 10 2 2 B 26 26 PHE CA C 731 59.724 61.523 -1.799 1
1 1297 . 10 2 2 B 26 26 PHE CB C 731 38.230 39.566 -1.336 1
1 1300 . 10 2 2 B 26 26 PHE N N 731 119.543 121.651 -2.108 1
1 1301 . 10 2 2 B 27 27 ASP H H 732 8.587 8.414 0.173 1
1 1302 . 10 2 2 B 27 27 ASP HA H 732 4.097 4.354 -0.257 1
1 1305 . 10 2 2 B 27 27 ASP CA C 732 57.256 57.918 -0.662 1
1 1306 . 10 2 2 B 27 27 ASP CB C 732 40.421 42.114 -1.693 1
1 1307 . 10 2 2 B 27 27 ASP N N 732 121.549 118.413 3.136 1
1 1308 . 10 2 2 B 28 28 GLU H H 733 7.383 7.782 -0.399 1
1 1309 . 10 2 2 B 28 28 GLU HA H 733 4.155 4.099 0.056 1
1 1314 . 10 2 2 B 28 28 GLU CA C 733 58.749 58.609 0.140 1
1 1315 . 10 2 2 B 28 28 GLU CB C 733 28.933 29.118 -0.185 1
1 1317 . 10 2 2 B 28 28 GLU N N 733 119.793 120.014 -0.221 1
1 1318 . 10 2 2 B 29 29 VAL H H 734 8.246 7.759 0.487 1
1 1319 . 10 2 2 B 29 29 VAL HA H 734 3.595 3.435 0.160 1
1 1327 . 10 2 2 B 29 29 VAL CA C 734 66.219 66.088 0.131 1
1 1328 . 10 2 2 B 29 29 VAL CB C 734 31.362 31.449 -0.087 1
1 1331 . 10 2 2 B 29 29 VAL N N 734 118.540 120.927 -2.387 1
1 1332 . 10 2 2 B 30 30 SER H H 735 8.384 8.187 0.197 1
1 1333 . 10 2 2 B 30 30 SER HA H 735 3.912 3.787 0.125 1
1 1336 . 10 2 2 B 30 30 SER CA C 735 61.703 61.967 -0.264 1
1 1337 . 10 2 2 B 30 30 SER CB C 735 62.059 62.611 -0.552 1
1 1338 . 10 2 2 B 30 30 SER N N 735 115.154 115.558 -0.404 1
1 1339 . 10 2 2 B 31 31 ARG H H 736 7.683 7.573 0.110 1
1 1340 . 10 2 2 B 31 31 ARG HA H 736 4.027 4.040 -0.013 1
1 1348 . 10 2 2 B 31 31 ARG CA C 736 58.571 58.898 -0.327 1
1 1349 . 10 2 2 B 31 31 ARG CB C 736 30.068 29.918 0.150 1
1 1352 . 10 2 2 B 31 31 ARG N N 736 121.549 121.665 -0.116 1
1 1354 . 10 2 2 B 32 32 ILE H H 737 7.703 7.152 0.551 1
1 1355 . 10 2 2 B 32 32 ILE HA H 737 3.859 3.891 -0.032 1
1 1365 . 10 2 2 B 32 32 ILE CA C 737 63.445 64.112 -0.667 1
1 1366 . 10 2 2 B 32 32 ILE CB C 737 38.332 38.178 0.154 1
1 1370 . 10 2 2 B 32 32 ILE N N 737 119.167 120.246 -1.079 1
1 1371 . 10 2 2 B 33 33 VAL H H 738 8.293 7.914 0.379 1
1 1372 . 10 2 2 B 33 33 VAL HA H 738 3.901 3.820 0.081 1
1 1380 . 10 2 2 B 33 33 VAL CA C 738 63.805 65.360 -1.555 1
1 1381 . 10 2 2 B 33 33 VAL CB C 738 32.408 31.686 0.722 1
1 1384 . 10 2 2 B 33 33 VAL N N 738 116.157 119.515 -3.358 1
1 1385 . 10 2 2 B 34 34 GLY H H 739 7.868 7.690 0.178 1
1 1386 . 10 2 2 B 34 34 GLY HA2 H 739 3.813 3.812 0.001 1
1 1387 . 10 2 2 B 34 34 GLY HA3 H 739 4.120 3.837 0.283 1
1 1388 . 10 2 2 B 34 34 GLY CA C 739 44.831 46.689 -1.858 1
1 1389 . 10 2 2 B 34 34 GLY N N 739 108.258 110.652 -2.394 1
1 1390 . 10 2 2 B 35 35 SER H H 740 8.366 8.171 0.195 1
1 1391 . 10 2 2 B 35 35 SER HA H 740 4.389 3.937 0.452 1
1 1394 . 10 2 2 B 35 35 SER CA C 740 58.261 59.149 -0.888 1
1 1395 . 10 2 2 B 35 35 SER CB C 740 62.663 61.874 0.789 1
1 1396 . 10 2 2 B 35 35 SER N N 740 116.408 108.518 7.890 1
1 1397 . 10 2 2 B 36 36 VAL H H 741 7.897 7.619 0.278 1
1 1398 . 10 2 2 B 36 36 VAL HA H 741 4.054 3.772 0.282 1
1 1406 . 10 2 2 B 36 36 VAL CA C 741 61.737 66.129 -4.392 1
1 1407 . 10 2 2 B 36 36 VAL CB C 741 33.084 32.074 1.010 1
1 1410 . 10 2 2 B 36 36 VAL N N 741 122.928 120.026 2.902 1
1 1411 . 10 2 2 B 37 37 GLU H H 742 8.468 8.069 0.399 1
1 1412 . 10 2 2 B 37 37 GLU HA H 742 4.306 4.685 -0.379 1
1 1417 . 10 2 2 B 37 37 GLU CA C 742 55.803 55.885 -0.082 1
1 1418 . 10 2 2 B 37 37 GLU CB C 742 29.029 30.941 -1.912 1
1 1420 . 10 2 2 B 37 37 GLU N N 742 124.057 119.240 4.817 1
1 1421 . 10 2 2 B 38 38 PHE H H 743 8.222 7.642 0.580 1
1 1422 . 10 2 2 B 38 38 PHE HA H 743 4.360 4.113 0.247 1
1 1429 . 10 2 2 B 38 38 PHE CA C 743 59.263 61.858 -2.595 1
1 1430 . 10 2 2 B 38 38 PHE CB C 743 39.524 39.404 0.120 1
1 1433 . 10 2 2 B 38 38 PHE N N 743 122.427 121.710 0.717 1
1 1434 . 10 2 2 B 39 39 ASP H H 744 8.602 8.788 -0.186 1
1 1435 . 10 2 2 B 39 39 ASP HA H 744 4.380 4.375 0.005 1
1 1438 . 10 2 2 B 39 39 ASP CA C 744 56.495 54.814 1.681 1
1 1439 . 10 2 2 B 39 39 ASP CB C 744 40.119 39.268 0.851 1
1 1440 . 10 2 2 B 39 39 ASP N N 744 120.044 117.458 2.586 1
1 1441 . 10 2 2 B 40 40 SER H H 745 8.143 8.164 -0.021 1
1 1442 . 10 2 2 B 40 40 SER HA H 745 4.328 4.747 -0.419 1
1 1445 . 10 2 2 B 40 40 SER CA C 745 59.724 57.134 2.590 1
1 1446 . 10 2 2 B 40 40 SER CB C 745 62.723 64.064 -1.341 1
1 1447 . 10 2 2 B 40 40 SER N N 745 114.527 115.179 -0.652 1
1 1448 . 10 2 2 B 41 41 MET H H 746 7.930 7.831 0.099 1
1 1449 . 10 2 2 B 41 41 MET HA H 746 4.374 4.250 0.124 1
1 1457 . 10 2 2 B 41 41 MET CA C 746 56.244 57.830 -1.586 1
1 1458 . 10 2 2 B 41 41 MET CB C 746 32.502 31.327 1.175 1
1 1461 . 10 2 2 B 41 41 MET N N 746 120.044 121.091 -1.047 1
1 1462 . 10 2 2 B 42 42 MET H H 747 7.784 8.000 -0.216 1
1 1463 . 10 2 2 B 42 42 MET HA H 747 4.232 4.421 -0.189 1
1 1471 . 10 2 2 B 42 42 MET CA C 747 55.830 56.944 -1.114 1
1 1472 . 10 2 2 B 42 42 MET CB C 747 32.502 32.105 0.397 1
1 1475 . 10 2 2 B 42 42 MET N N 747 117.035 115.816 1.219 1
1 1476 . 10 2 2 B 43 43 ASN H H 748 7.960 7.598 0.362 1
1 1477 . 10 2 2 B 43 43 ASN HA H 748 4.831 4.569 0.262 1
1 1482 . 10 2 2 B 43 43 ASN CA C 748 53.146 53.673 -0.527 1
1 1483 . 10 2 2 B 43 43 ASN CB C 748 38.795 39.398 -0.603 1
1 1484 . 10 2 2 B 43 43 ASN N N 748 117.537 118.765 -1.228 1
1 1486 . 10 2 2 B 44 44 THR H H 749 8.039 8.914 -0.875 1
1 1487 . 10 2 2 B 44 44 THR HA H 749 4.432 4.541 -0.109 1
1 1492 . 10 2 2 B 44 44 THR CA C 749 61.570 62.438 -0.868 1
1 1493 . 10 2 2 B 44 44 THR CB C 749 69.644 69.820 -0.176 1
1 1495 . 10 2 2 B 44 44 THR N N 749 114.026 116.580 -2.554 1
1 6 . 11 1 1 A 2 2 PRO HA H 2 4.396 4.277 0.119 1
1 13 . 11 1 1 A 2 2 PRO CA C 2 65.107 66.084 -0.977 1
1 14 . 11 1 1 A 2 2 PRO CB C 2 31.810 31.290 0.520 1
1 17 . 11 1 1 A 3 3 GLN H H 3 8.509 8.362 0.147 1
1 18 . 11 1 1 A 3 3 GLN HA H 3 3.962 4.047 -0.085 1
1 25 . 11 1 1 A 3 3 GLN CA C 3 59.223 58.822 0.401 1
1 26 . 11 1 1 A 3 3 GLN CB C 3 28.119 28.052 0.067 1
1 28 . 11 1 1 A 3 3 GLN N N 3 117.064 117.916 -0.852 1
1 30 . 11 1 1 A 4 4 GLU H H 4 7.950 8.292 -0.342 1
1 31 . 11 1 1 A 4 4 GLU HA H 4 4.105 4.046 0.059 1
1 36 . 11 1 1 A 4 4 GLU CA C 4 58.778 59.399 -0.621 1
1 37 . 11 1 1 A 4 4 GLU CB C 4 29.734 29.436 0.298 1
1 39 . 11 1 1 A 4 4 GLU N N 4 121.574 121.815 -0.241 1
1 40 . 11 1 1 A 5 5 SER H H 5 8.511 7.850 0.661 1
1 41 . 11 1 1 A 5 5 SER HA H 5 4.238 4.071 0.167 1
1 44 . 11 1 1 A 5 5 SER CA C 5 61.377 62.001 -0.624 1
1 45 . 11 1 1 A 5 5 SER CB C 5 62.351 63.062 -0.711 1
1 46 . 11 1 1 A 5 5 SER N N 5 115.674 116.764 -1.090 1
1 47 . 11 1 1 A 6 6 ARG H H 6 8.276 7.283 0.993 1
1 48 . 11 1 1 A 6 6 ARG HA H 6 4.324 4.208 0.116 1
1 55 . 11 1 1 A 6 6 ARG CA C 6 58.988 59.015 -0.027 1
1 56 . 11 1 1 A 6 6 ARG CB C 6 30.426 30.428 -0.002 1
1 59 . 11 1 1 A 6 6 ARG N N 6 122.441 121.408 1.033 1
1 60 . 11 1 1 A 7 7 ARG H H 7 8.015 8.152 -0.137 1
1 61 . 11 1 1 A 7 7 ARG HA H 7 3.955 4.169 -0.214 1
1 68 . 11 1 1 A 7 7 ARG CA C 7 59.724 58.885 0.839 1
1 69 . 11 1 1 A 7 7 ARG CB C 7 29.965 29.950 0.015 1
1 72 . 11 1 1 A 7 7 ARG N N 7 119.491 119.630 -0.139 1
1 73 . 11 1 1 A 8 8 LEU H H 8 8.158 8.597 -0.439 1
1 74 . 11 1 1 A 8 8 LEU HA H 8 4.161 4.076 0.085 1
1 84 . 11 1 1 A 8 8 LEU CA C 8 57.686 57.819 -0.133 1
1 85 . 11 1 1 A 8 8 LEU CB C 8 41.312 41.420 -0.108 1
1 89 . 11 1 1 A 8 8 LEU N N 8 120.359 119.626 0.733 1
1 90 . 11 1 1 A 9 9 SER H H 9 8.090 8.136 -0.046 1
1 91 . 11 1 1 A 9 9 SER HA H 9 4.292 4.148 0.144 1
1 94 . 11 1 1 A 9 9 SER CA C 9 61.570 62.520 -0.950 1
1 95 . 11 1 1 A 9 9 SER CB C 9 62.493 63.005 -0.512 1
1 96 . 11 1 1 A 9 9 SER N N 9 116.178 114.291 1.887 1
1 97 . 11 1 1 A 10 10 ILE H H 10 8.396 8.057 0.339 1
1 98 . 11 1 1 A 10 10 ILE HA H 10 3.505 3.479 0.026 1
1 108 . 11 1 1 A 10 10 ILE CA C 10 65.608 65.031 0.577 1
1 109 . 11 1 1 A 10 10 ILE CB C 10 37.706 37.259 0.447 1
1 113 . 11 1 1 A 10 10 ILE N N 10 122.840 121.289 1.551 1
1 114 . 11 1 1 A 11 11 GLN H H 11 8.142 8.020 0.122 1
1 115 . 11 1 1 A 11 11 GLN HA H 11 4.032 4.021 0.011 1
1 122 . 11 1 1 A 11 11 GLN CA C 11 59.060 59.261 -0.201 1
1 123 . 11 1 1 A 11 11 GLN CB C 11 27.888 28.346 -0.458 1
1 125 . 11 1 1 A 11 11 GLN N N 11 119.144 118.496 0.648 1
1 127 . 11 1 1 A 12 12 ARG H H 12 8.330 7.487 0.843 1
1 128 . 11 1 1 A 12 12 ARG HA H 12 4.179 4.017 0.162 1
1 135 . 11 1 1 A 12 12 ARG CA C 12 59.494 59.453 0.041 1
1 136 . 11 1 1 A 12 12 ARG CB C 12 29.734 30.124 -0.390 1
1 138 . 11 1 1 A 12 12 ARG N N 12 120.186 119.163 1.023 1
1 139 . 11 1 1 A 13 13 CYS H H 13 8.242 7.996 0.246 1
1 140 . 11 1 1 A 13 13 CYS HA H 13 4.231 4.111 0.120 1
1 143 . 11 1 1 A 13 13 CYS CA C 13 63.289 63.871 -0.582 1
1 144 . 11 1 1 A 13 13 CYS CB C 13 26.505 27.137 -0.632 1
1 145 . 11 1 1 A 13 13 CYS N N 13 121.574 119.665 1.909 1
1 146 . 11 1 1 A 14 14 ILE H H 14 8.493 8.491 0.002 1
1 147 . 11 1 1 A 14 14 ILE HA H 14 3.787 3.606 0.181 1
1 157 . 11 1 1 A 14 14 ILE CA C 14 64.269 65.372 -1.103 1
1 158 . 11 1 1 A 14 14 ILE CB C 14 36.597 37.802 -1.205 1
1 162 . 11 1 1 A 14 14 ILE N N 14 120.012 119.570 0.442 1
1 163 . 11 1 1 A 15 15 GLN H H 15 8.468 8.326 0.142 1
1 164 . 11 1 1 A 15 15 GLN HA H 15 4.107 4.035 0.072 1
1 171 . 11 1 1 A 15 15 GLN CA C 15 58.969 59.112 -0.143 1
1 172 . 11 1 1 A 15 15 GLN CB C 15 27.843 28.289 -0.446 1
1 174 . 11 1 1 A 15 15 GLN N N 15 119.665 118.754 0.911 1
1 176 . 11 1 1 A 16 16 SER H H 16 8.409 8.055 0.354 1
1 177 . 11 1 1 A 16 16 SER HA H 16 4.424 4.107 0.317 1
1 180 . 11 1 1 A 16 16 SER CA C 16 61.726 62.494 -0.768 1
1 181 . 11 1 1 A 16 16 SER CB C 16 62.564 62.876 -0.312 1
1 182 . 11 1 1 A 16 16 SER N N 16 117.062 116.216 0.846 1
1 183 . 11 1 1 A 17 17 LEU H H 17 8.235 8.164 0.071 1
1 184 . 11 1 1 A 17 17 LEU HA H 17 4.103 4.077 0.026 1
1 194 . 11 1 1 A 17 17 LEU CA C 17 58.340 57.850 0.490 1
1 195 . 11 1 1 A 17 17 LEU CB C 17 41.961 41.622 0.339 1
1 199 . 11 1 1 A 17 17 LEU N N 17 125.564 122.953 2.611 1
1 200 . 11 1 1 A 18 18 VAL H H 18 8.603 8.256 0.347 1
1 201 . 11 1 1 A 18 18 VAL HA H 18 3.261 3.559 -0.298 1
1 209 . 11 1 1 A 18 18 VAL CA C 18 67.097 66.530 0.567 1
1 210 . 11 1 1 A 18 18 VAL CB C 18 31.589 31.552 0.037 1
1 213 . 11 1 1 A 18 18 VAL N N 18 119.665 118.847 0.818 1
1 214 . 11 1 1 A 19 19 HIS H H 19 8.083 8.327 -0.244 1
1 215 . 11 1 1 A 19 19 HIS HA H 19 4.231 4.187 0.044 1
1 219 . 11 1 1 A 19 19 HIS CA C 19 59.641 60.184 -0.543 1
1 220 . 11 1 1 A 19 19 HIS CB C 19 26.966 29.683 -2.717 1
1 222 . 11 1 1 A 19 19 HIS N N 19 116.094 119.334 -3.240 1
1 223 . 11 1 1 A 20 20 ALA H H 20 8.796 8.400 0.396 1
1 224 . 11 1 1 A 20 20 ALA HA H 20 4.308 4.000 0.308 1
1 228 . 11 1 1 A 20 20 ALA CA C 20 55.341 55.224 0.117 1
1 229 . 11 1 1 A 20 20 ALA CB C 20 20.026 18.245 1.781 1
1 230 . 11 1 1 A 20 20 ALA N N 20 121.747 120.439 1.308 1
1 231 . 11 1 1 A 21 21 CYS H H 21 7.909 7.984 -0.075 1
1 232 . 11 1 1 A 21 21 CYS HA H 21 4.294 4.219 0.075 1
1 235 . 11 1 1 A 21 21 CYS CA C 21 61.665 61.090 0.575 1
1 236 . 11 1 1 A 21 21 CYS CB C 21 26.764 27.001 -0.237 1
1 237 . 11 1 1 A 21 21 CYS N N 21 111.875 115.753 -3.878 1
1 238 . 11 1 1 A 22 22 GLN H H 22 7.357 7.804 -0.447 1
1 239 . 11 1 1 A 22 22 GLN HA H 22 4.531 4.407 0.124 1
1 246 . 11 1 1 A 22 22 GLN CA C 22 54.445 56.266 -1.821 1
1 247 . 11 1 1 A 22 22 GLN CB C 22 30.608 30.849 -0.241 1
1 249 . 11 1 1 A 22 22 GLN N N 22 116.021 117.158 -1.137 1
1 251 . 11 1 1 A 23 23 CYS H H 23 7.229 7.581 -0.352 1
1 252 . 11 1 1 A 23 23 CYS HA H 23 3.947 4.330 -0.383 1
1 255 . 11 1 1 A 23 23 CYS CA C 23 59.996 59.454 0.542 1
1 256 . 11 1 1 A 23 23 CYS CB C 23 29.000 28.514 0.486 1
1 257 . 11 1 1 A 23 23 CYS N N 23 124.350 118.840 5.510 1
1 258 . 11 1 1 A 24 24 ARG H H 24 8.966 8.696 0.270 1
1 259 . 11 1 1 A 24 24 ARG HA H 24 4.590 4.596 -0.006 1
1 266 . 11 1 1 A 24 24 ARG CA C 24 54.306 55.977 -1.671 1
1 267 . 11 1 1 A 24 24 ARG CB C 24 29.771 32.240 -2.469 1
1 270 . 11 1 1 A 24 24 ARG N N 24 129.729 123.082 6.647 1
1 271 . 11 1 1 A 25 25 ASN H H 25 7.823 7.000 0.823 1
1 272 . 11 1 1 A 25 25 ASN HA H 25 4.853 4.658 0.195 1
1 277 . 11 1 1 A 25 25 ASN CA C 25 51.372 53.621 -2.249 1
1 278 . 11 1 1 A 25 25 ASN CB C 25 38.727 38.990 -0.263 1
1 279 . 11 1 1 A 25 25 ASN N N 25 120.186 118.522 1.664 1
1 281 . 11 1 1 A 26 26 ALA H H 26 9.248 8.797 0.451 1
1 282 . 11 1 1 A 26 26 ALA HA H 26 4.091 4.058 0.033 1
1 286 . 11 1 1 A 26 26 ALA CA C 26 54.027 54.758 -0.731 1
1 287 . 11 1 1 A 26 26 ALA CB C 26 18.209 18.615 -0.406 1
1 288 . 11 1 1 A 26 26 ALA N N 26 130.423 126.015 4.408 1
1 289 . 11 1 1 A 27 27 ASN H H 27 8.085 8.047 0.038 1
1 290 . 11 1 1 A 27 27 ASN HA H 27 4.834 5.001 -0.167 1
1 295 . 11 1 1 A 27 27 ASN CA C 27 51.625 52.095 -0.470 1
1 296 . 11 1 1 A 27 27 ASN CB C 27 38.577 39.376 -0.799 1
1 297 . 11 1 1 A 27 27 ASN N N 27 113.766 115.430 -1.664 1
1 299 . 11 1 1 A 28 28 CYS H H 28 7.209 7.854 -0.645 1
1 300 . 11 1 1 A 28 28 CYS HA H 28 4.053 4.326 -0.273 1
1 303 . 11 1 1 A 28 28 CYS CA C 28 61.312 59.747 1.565 1
1 304 . 11 1 1 A 28 28 CYS CB C 28 29.674 28.960 0.714 1
1 305 . 11 1 1 A 28 28 CYS N N 28 123.309 121.347 1.962 1
1 306 . 11 1 1 A 29 29 SER H H 29 8.922 8.649 0.273 1
1 307 . 11 1 1 A 29 29 SER HA H 29 4.609 4.194 0.415 1
1 310 . 11 1 1 A 29 29 SER CA C 29 57.450 60.562 -3.112 1
1 311 . 11 1 1 A 29 29 SER CB C 29 63.604 62.843 0.761 1
1 312 . 11 1 1 A 29 29 SER N N 29 124.870 119.573 5.297 1
1 313 . 11 1 1 A 30 30 LEU H H 30 8.513 7.586 0.927 1
1 314 . 11 1 1 A 30 30 LEU HA H 30 4.497 4.402 0.095 1
1 324 . 11 1 1 A 30 30 LEU CA C 30 53.980 52.860 1.120 1
1 325 . 11 1 1 A 30 30 LEU CB C 30 40.643 41.666 -1.023 1
1 329 . 11 1 1 A 30 30 LEU N N 30 128.341 125.001 3.340 1
1 330 . 11 1 1 A 31 31 PRO HA H 31 4.329 4.266 0.063 1
1 337 . 11 1 1 A 31 31 PRO CA C 31 65.026 64.915 0.111 1
1 338 . 11 1 1 A 31 31 PRO CB C 31 31.580 31.974 -0.394 1
1 341 . 11 1 1 A 32 32 SER H H 32 8.537 8.172 0.365 1
1 342 . 11 1 1 A 32 32 SER HA H 32 4.287 4.220 0.067 1
1 345 . 11 1 1 A 32 32 SER CA C 32 60.277 61.230 -0.953 1
1 346 . 11 1 1 A 32 32 SER CB C 32 62.277 62.652 -0.375 1
1 347 . 11 1 1 A 32 32 SER N N 32 112.551 112.004 0.547 1
1 348 . 11 1 1 A 33 33 CYS H H 33 7.523 8.089 -0.566 1
1 349 . 11 1 1 A 33 33 CYS HA H 33 4.170 3.923 0.247 1
1 352 . 11 1 1 A 33 33 CYS CA C 33 63.408 62.961 0.447 1
1 353 . 11 1 1 A 33 33 CYS CB C 33 29.503 26.531 2.972 1
1 354 . 11 1 1 A 33 33 CYS N N 33 126.085 120.291 5.794 1
1 355 . 11 1 1 A 34 34 GLN H H 34 8.102 7.830 0.272 1
1 356 . 11 1 1 A 34 34 GLN HA H 34 3.963 4.034 -0.071 1
1 359 . 11 1 1 A 34 34 GLN N N 34 115.711 119.046 -3.335 1
1 361 . 11 1 1 A 35 35 LYS H H 35 8.093 7.729 0.364 1
1 362 . 11 1 1 A 35 35 LYS HA H 35 3.994 4.108 -0.114 1
1 371 . 11 1 1 A 35 35 LYS CA C 35 59.502 59.463 0.039 1
1 372 . 11 1 1 A 35 35 LYS CB C 35 32.273 32.266 0.007 1
1 376 . 11 1 1 A 35 35 LYS N N 35 117.930 120.879 -2.949 1
1 377 . 11 1 1 A 36 36 MET H H 36 8.237 8.734 -0.497 1
1 378 . 11 1 1 A 36 36 MET HA H 36 4.488 4.083 0.405 1
1 386 . 11 1 1 A 36 36 MET CA C 36 56.725 59.343 -2.618 1
1 387 . 11 1 1 A 36 36 MET CB C 36 30.954 32.521 -1.567 1
1 390 . 11 1 1 A 36 36 MET N N 36 117.062 118.472 -1.410 1
1 391 . 11 1 1 A 37 37 LYS H H 37 9.107 8.164 0.943 1
1 392 . 11 1 1 A 37 37 LYS HA H 37 3.900 4.005 -0.105 1
1 401 . 11 1 1 A 37 37 LYS CA C 37 61.097 59.977 1.120 1
1 402 . 11 1 1 A 37 37 LYS CB C 37 32.947 32.320 0.627 1
1 406 . 11 1 1 A 37 37 LYS N N 37 120.186 119.094 1.092 1
1 407 . 11 1 1 A 38 38 ARG H H 38 7.781 7.593 0.188 1
1 408 . 11 1 1 A 38 38 ARG HA H 38 4.127 4.091 0.036 1
1 413 . 11 1 1 A 38 38 ARG CA C 38 59.263 59.285 -0.022 1
1 414 . 11 1 1 A 38 38 ARG CB C 38 29.965 29.955 0.010 1
1 416 . 11 1 1 A 38 38 ARG N N 38 118.971 119.674 -0.703 1
1 417 . 11 1 1 A 39 39 VAL H H 39 8.289 7.952 0.337 1
1 418 . 11 1 1 A 39 39 VAL HA H 39 3.539 3.661 -0.122 1
1 426 . 11 1 1 A 39 39 VAL CA C 39 66.989 66.474 0.515 1
1 427 . 11 1 1 A 39 39 VAL CB C 39 31.451 31.643 -0.192 1
1 430 . 11 1 1 A 39 39 VAL N N 39 123.829 119.751 4.078 1
1 431 . 11 1 1 A 40 40 VAL H H 40 8.318 8.464 -0.146 1
1 432 . 11 1 1 A 40 40 VAL HA H 40 3.528 3.785 -0.257 1
1 440 . 11 1 1 A 40 40 VAL CA C 40 67.050 65.258 1.792 1
1 441 . 11 1 1 A 40 40 VAL CB C 40 31.608 31.216 0.392 1
1 444 . 11 1 1 A 40 40 VAL N N 40 119.665 120.447 -0.782 1
1 445 . 11 1 1 A 41 41 GLN H H 41 8.263 8.132 0.131 1
1 446 . 11 1 1 A 41 41 GLN HA H 41 3.974 3.939 0.035 1
1 453 . 11 1 1 A 41 41 GLN CA C 41 58.571 59.251 -0.680 1
1 454 . 11 1 1 A 41 41 GLN CB C 41 28.018 28.480 -0.462 1
1 456 . 11 1 1 A 41 41 GLN N N 41 118.450 122.275 -3.825 1
1 458 . 11 1 1 A 42 42 HIS H H 42 8.309 8.074 0.235 1
1 459 . 11 1 1 A 42 42 HIS HA H 42 4.215 4.340 -0.125 1
1 463 . 11 1 1 A 42 42 HIS CA C 42 59.402 59.302 0.100 1
1 464 . 11 1 1 A 42 42 HIS CB C 42 26.966 30.536 -3.570 1
1 466 . 11 1 1 A 42 42 HIS N N 42 118.971 120.034 -1.063 1
1 467 . 11 1 1 A 43 43 THR H H 43 8.056 8.277 -0.221 1
1 468 . 11 1 1 A 43 43 THR HA H 43 3.929 3.967 -0.038 1
1 474 . 11 1 1 A 43 43 THR CA C 43 66.101 67.339 -1.238 1
1 475 . 11 1 1 A 43 43 THR CB C 43 69.107 68.342 0.765 1
1 477 . 11 1 1 A 43 43 THR N N 43 114.320 114.139 0.181 1
1 478 . 11 1 1 A 44 44 LYS H H 44 7.531 8.058 -0.527 1
1 479 . 11 1 1 A 44 44 LYS HA H 44 4.085 4.095 -0.010 1
1 488 . 11 1 1 A 44 44 LYS CA C 44 58.682 59.333 -0.651 1
1 489 . 11 1 1 A 44 44 LYS CB C 44 32.024 32.383 -0.359 1
1 493 . 11 1 1 A 44 44 LYS N N 44 120.012 119.495 0.517 1
1 494 . 11 1 1 A 45 45 GLY H H 45 7.143 7.798 -0.655 1
1 495 . 11 1 1 A 45 45 GLY HA2 H 45 3.625 3.968 -0.343 1
1 496 . 11 1 1 A 45 45 GLY HA3 H 45 4.387 3.996 0.391 1
1 497 . 11 1 1 A 45 45 GLY CA C 45 44.289 45.292 -1.003 1
1 498 . 11 1 1 A 45 45 GLY N N 45 103.528 107.139 -3.611 1
1 499 . 11 1 1 A 46 46 CYS H H 46 6.988 7.428 -0.440 1
1 500 . 11 1 1 A 46 46 CYS HA H 46 3.955 4.411 -0.456 1
1 503 . 11 1 1 A 46 46 CYS CA C 46 60.654 58.996 1.658 1
1 504 . 11 1 1 A 46 46 CYS CB C 46 29.793 28.151 1.642 1
1 505 . 11 1 1 A 46 46 CYS N N 46 123.656 120.389 3.267 1
1 506 . 11 1 1 A 47 47 LYS H H 47 9.060 8.853 0.207 1
1 507 . 11 1 1 A 47 47 LYS HA H 47 4.489 4.526 -0.037 1
1 516 . 11 1 1 A 47 47 LYS CA C 47 56.127 56.066 0.061 1
1 517 . 11 1 1 A 47 47 LYS CB C 47 32.393 32.917 -0.524 1
1 521 . 11 1 1 A 47 47 LYS N N 47 127.820 124.634 3.186 1
1 522 . 11 1 1 A 48 48 ARG H H 48 8.537 7.718 0.819 1
1 523 . 11 1 1 A 48 48 ARG HA H 48 4.330 4.341 -0.011 1
1 530 . 11 1 1 A 48 48 ARG CA C 48 57.648 58.204 -0.556 1
1 531 . 11 1 1 A 48 48 ARG CB C 48 31.810 30.869 0.941 1
1 534 . 11 1 1 A 48 48 ARG N N 48 122.615 117.428 5.187 1
1 535 . 11 1 1 A 49 49 LYS H H 49 8.522 7.789 0.733 1
1 536 . 11 1 1 A 49 49 LYS HA H 49 4.554 4.286 0.268 1
1 545 . 11 1 1 A 49 49 LYS CA C 49 57.417 57.173 0.244 1
1 546 . 11 1 1 A 49 49 LYS CB C 49 31.543 31.799 -0.256 1
1 550 . 11 1 1 A 49 49 LYS N N 49 117.583 119.335 -1.752 1
1 551 . 11 1 1 A 50 50 THR H H 50 7.992 8.784 -0.792 1
1 552 . 11 1 1 A 50 50 THR HA H 50 4.127 3.934 0.193 1
1 557 . 11 1 1 A 50 50 THR CA C 50 63.985 65.868 -1.883 1
1 558 . 11 1 1 A 50 50 THR CB C 50 68.157 68.214 -0.057 1
1 560 . 11 1 1 A 50 50 THR N N 50 113.245 113.501 -0.256 1
1 561 . 11 1 1 A 51 51 ASN H H 51 8.888 8.576 0.312 1
1 562 . 11 1 1 A 51 51 ASN HA H 51 4.665 4.503 0.162 1
1 567 . 11 1 1 A 51 51 ASN CA C 51 54.159 55.750 -1.591 1
1 568 . 11 1 1 A 51 51 ASN CB C 51 37.857 38.337 -0.480 1
1 570 . 11 1 1 A 52 52 GLY H H 52 7.972 7.838 0.134 1
1 571 . 11 1 1 A 52 52 GLY HA2 H 52 3.893 3.985 -0.092 1
1 572 . 11 1 1 A 52 52 GLY HA3 H 52 4.101 3.989 0.112 1
1 573 . 11 1 1 A 52 52 GLY CA C 52 45.368 45.465 -0.097 1
1 574 . 11 1 1 A 52 52 GLY N N 52 106.651 107.113 -0.462 1
1 575 . 11 1 1 A 53 53 GLY H H 53 7.765 7.988 -0.223 1
1 576 . 11 1 1 A 53 53 GLY HA2 H 53 3.837 4.040 -0.203 1
1 577 . 11 1 1 A 53 53 GLY HA3 H 53 4.079 4.042 0.037 1
1 578 . 11 1 1 A 53 53 GLY CA C 53 45.227 45.082 0.145 1
1 579 . 11 1 1 A 53 53 GLY N N 53 107.519 107.563 -0.044 1
1 580 . 11 1 1 A 54 54 CYS H H 54 8.099 7.861 0.238 1
1 581 . 11 1 1 A 54 54 CYS HA H 54 4.720 4.603 0.117 1
1 584 . 11 1 1 A 54 54 CYS CA C 54 55.572 57.329 -1.757 1
1 585 . 11 1 1 A 54 54 CYS CB C 54 30.216 28.832 1.384 1
1 586 . 11 1 1 A 54 54 CYS N N 54 122.615 119.664 2.951 1
1 587 . 11 1 1 A 55 55 PRO HA H 55 4.237 4.447 -0.210 1
1 594 . 11 1 1 A 55 55 PRO CA C 55 64.757 64.231 0.526 1
1 595 . 11 1 1 A 55 55 PRO CB C 55 32.311 31.993 0.318 1
1 598 . 11 1 1 A 56 56 VAL H H 56 7.645 7.214 0.431 1
1 599 . 11 1 1 A 56 56 VAL HA H 56 3.384 3.660 -0.276 1
1 607 . 11 1 1 A 56 56 VAL CA C 56 66.184 66.147 0.037 1
1 608 . 11 1 1 A 56 56 VAL CB C 56 32.502 31.368 1.134 1
1 611 . 11 1 1 A 56 56 VAL N N 56 121.227 116.805 4.422 1
1 612 . 11 1 1 A 57 57 CYS H H 57 8.565 8.199 0.366 1
1 613 . 11 1 1 A 57 57 CYS HA H 57 4.034 4.042 -0.008 1
1 616 . 11 1 1 A 57 57 CYS CA C 57 65.746 63.417 2.329 1
1 617 . 11 1 1 A 57 57 CYS CB C 57 29.273 27.159 2.114 1
1 618 . 11 1 1 A 57 57 CYS N N 57 122.615 117.783 4.832 1
1 619 . 11 1 1 A 58 58 LYS H H 58 7.956 7.596 0.360 1
1 620 . 11 1 1 A 58 58 LYS HA H 58 3.874 3.815 0.059 1
1 629 . 11 1 1 A 58 58 LYS CA C 58 59.955 59.359 0.596 1
1 630 . 11 1 1 A 58 58 LYS CB C 58 32.272 32.187 0.085 1
1 634 . 11 1 1 A 58 58 LYS N N 58 116.889 121.076 -4.187 1
1 635 . 11 1 1 A 59 59 GLN H H 59 7.359 7.674 -0.315 1
1 636 . 11 1 1 A 59 59 GLN HA H 59 3.789 4.062 -0.273 1
1 643 . 11 1 1 A 59 59 GLN CA C 59 60.647 58.624 2.023 1
1 644 . 11 1 1 A 59 59 GLN CB C 59 27.196 28.105 -0.909 1
1 646 . 11 1 1 A 59 59 GLN N N 59 116.889 118.659 -1.770 1
1 648 . 11 1 1 A 60 60 LEU H H 60 8.303 7.754 0.549 1
1 649 . 11 1 1 A 60 60 LEU HA H 60 4.093 3.972 0.121 1
1 659 . 11 1 1 A 60 60 LEU CA C 60 58.110 57.899 0.211 1
1 660 . 11 1 1 A 60 60 LEU CB C 60 40.807 41.718 -0.911 1
1 664 . 11 1 1 A 60 60 LEU N N 60 118.103 119.336 -1.233 1
1 665 . 11 1 1 A 61 61 ILE H H 61 8.804 7.847 0.957 1
1 666 . 11 1 1 A 61 61 ILE HA H 61 3.801 3.413 0.388 1
1 676 . 11 1 1 A 61 61 ILE CA C 61 63.416 65.520 -2.104 1
1 677 . 11 1 1 A 61 61 ILE CB C 61 36.886 37.577 -0.691 1
1 681 . 11 1 1 A 61 61 ILE N N 61 118.624 118.906 -0.282 1
1 682 . 11 1 1 A 62 62 ALA H H 62 7.796 7.764 0.032 1
1 683 . 11 1 1 A 62 62 ALA HA H 62 4.058 4.126 -0.068 1
1 687 . 11 1 1 A 62 62 ALA CA C 62 56.030 55.353 0.677 1
1 688 . 11 1 1 A 62 62 ALA CB C 62 18.068 18.374 -0.306 1
1 689 . 11 1 1 A 62 62 ALA N N 62 124.003 122.823 1.180 1
1 690 . 11 1 1 A 63 63 LEU H H 63 8.011 7.633 0.378 1
1 691 . 11 1 1 A 63 63 LEU HA H 63 4.077 4.076 0.001 1
1 701 . 11 1 1 A 63 63 LEU CA C 63 58.110 57.832 0.278 1
1 702 . 11 1 1 A 63 63 LEU CB C 63 42.116 41.381 0.735 1
1 706 . 11 1 1 A 63 63 LEU N N 63 117.583 119.205 -1.622 1
1 707 . 11 1 1 A 64 64 CYS H H 64 8.818 8.581 0.237 1
1 708 . 11 1 1 A 64 64 CYS HA H 64 4.053 4.346 -0.293 1
1 711 . 11 1 1 A 64 64 CYS CA C 64 64.800 62.638 2.162 1
1 712 . 11 1 1 A 64 64 CYS CB C 64 26.504 27.380 -0.876 1
1 713 . 11 1 1 A 64 64 CYS N N 64 118.277 116.895 1.382 1
1 714 . 11 1 1 A 65 65 CYS H H 65 8.793 8.583 0.210 1
1 715 . 11 1 1 A 65 65 CYS HA H 65 4.258 4.120 0.138 1
1 718 . 11 1 1 A 65 65 CYS CA C 65 63.646 63.911 -0.265 1
1 719 . 11 1 1 A 65 65 CYS CB C 65 26.966 26.985 -0.019 1
1 720 . 11 1 1 A 65 65 CYS N N 65 118.971 119.270 -0.299 1
1 721 . 11 1 1 A 66 66 TYR H H 66 8.369 8.258 0.111 1
1 722 . 11 1 1 A 66 66 TYR HA H 66 4.034 4.248 -0.214 1
1 729 . 11 1 1 A 66 66 TYR CA C 66 60.886 61.504 -0.618 1
1 730 . 11 1 1 A 66 66 TYR CB C 66 37.808 38.762 -0.954 1
1 733 . 11 1 1 A 66 66 TYR N N 66 121.574 122.435 -0.861 1
1 734 . 11 1 1 A 67 67 HIS H H 67 8.633 7.777 0.856 1
1 735 . 11 1 1 A 67 67 HIS HA H 67 4.318 4.315 0.003 1
1 740 . 11 1 1 A 67 67 HIS CA C 67 58.998 59.480 -0.482 1
1 741 . 11 1 1 A 67 67 HIS CB C 67 27.409 30.613 -3.204 1
1 744 . 11 1 1 A 67 67 HIS N N 67 117.409 119.284 -1.875 1
1 745 . 11 1 1 A 68 68 ALA H H 68 8.725 8.772 -0.047 1
1 746 . 11 1 1 A 68 68 ALA HA H 68 4.019 3.971 0.048 1
1 750 . 11 1 1 A 68 68 ALA CA C 68 54.690 55.365 -0.675 1
1 751 . 11 1 1 A 68 68 ALA CB C 68 19.964 18.487 1.477 1
1 752 . 11 1 1 A 68 68 ALA N N 68 122.094 120.791 1.303 1
1 753 . 11 1 1 A 69 69 LYS H H 69 7.362 7.728 -0.366 1
1 754 . 11 1 1 A 69 69 LYS HA H 69 3.736 3.972 -0.236 1
1 763 . 11 1 1 A 69 69 LYS CA C 69 58.137 58.861 -0.724 1
1 764 . 11 1 1 A 69 69 LYS CB C 69 32.224 31.956 0.268 1
1 768 . 11 1 1 A 69 69 LYS N N 69 114.807 116.178 -1.371 1
1 769 . 11 1 1 A 70 70 HIS H H 70 7.011 7.741 -0.730 1
1 770 . 11 1 1 A 70 70 HIS HA H 70 4.697 4.373 0.324 1
1 774 . 11 1 1 A 70 70 HIS CA C 70 54.835 57.497 -2.662 1
1 775 . 11 1 1 A 70 70 HIS CB C 70 30.477 29.839 0.638 1
1 777 . 11 1 1 A 70 70 HIS N N 70 112.898 117.676 -4.778 1
1 778 . 11 1 1 A 71 71 CYS H H 71 7.012 7.275 -0.263 1
1 779 . 11 1 1 A 71 71 CYS HA H 71 4.032 4.161 -0.129 1
1 782 . 11 1 1 A 71 71 CYS CA C 71 59.948 59.851 0.097 1
1 783 . 11 1 1 A 71 71 CYS CB C 71 29.752 27.997 1.755 1
1 784 . 11 1 1 A 71 71 CYS N N 71 123.829 118.920 4.909 1
1 785 . 11 1 1 A 72 72 GLN H H 72 9.181 8.858 0.323 1
1 786 . 11 1 1 A 72 72 GLN HA H 72 4.674 4.507 0.167 1
1 793 . 11 1 1 A 72 72 GLN CA C 72 54.224 55.521 -1.297 1
1 794 . 11 1 1 A 72 72 GLN CB C 72 29.049 30.173 -1.124 1
1 796 . 11 1 1 A 72 72 GLN N N 72 128.341 122.182 6.159 1
1 798 . 11 1 1 A 73 73 GLU H H 73 8.396 7.280 1.116 1
1 799 . 11 1 1 A 73 73 GLU HA H 73 4.389 4.818 -0.429 1
1 804 . 11 1 1 A 73 73 GLU CA C 73 55.341 54.576 0.765 1
1 805 . 11 1 1 A 73 73 GLU CB C 73 30.239 33.271 -3.032 1
1 807 . 11 1 1 A 73 73 GLU N N 73 123.309 117.182 6.127 1
1 808 . 11 1 1 A 74 74 ASN H H 74 8.921 8.521 0.400 1
1 809 . 11 1 1 A 74 74 ASN HA H 74 4.538 4.960 -0.422 1
1 814 . 11 1 1 A 74 74 ASN CA C 74 54.666 52.355 2.311 1
1 815 . 11 1 1 A 74 74 ASN CB C 74 38.301 38.705 -0.404 1
1 816 . 11 1 1 A 74 74 ASN N N 74 124.870 117.112 7.758 1
1 818 . 11 1 1 A 75 75 LYS H H 75 8.847 7.818 1.029 1
1 819 . 11 1 1 A 75 75 LYS HA H 75 4.442 4.616 -0.174 1
1 828 . 11 1 1 A 75 75 LYS CA C 75 54.327 55.421 -1.094 1
1 829 . 11 1 1 A 75 75 LYS CB C 75 30.837 33.622 -2.785 1
1 833 . 11 1 1 A 75 75 LYS N N 75 121.574 117.005 4.569 1
1 834 . 11 1 1 A 76 76 CYS H H 76 7.191 7.341 -0.150 1
1 835 . 11 1 1 A 76 76 CYS HA H 76 4.389 4.412 -0.023 1
1 838 . 11 1 1 A 76 76 CYS CA C 76 57.270 57.644 -0.374 1
1 839 . 11 1 1 A 76 76 CYS CB C 76 30.613 28.255 2.358 1
1 840 . 11 1 1 A 76 76 CYS N N 76 124.350 121.444 2.906 1
1 841 . 11 1 1 A 77 77 PRO HA H 77 4.673 4.496 0.177 1
1 848 . 11 1 1 A 77 77 PRO CA C 77 62.878 64.221 -1.343 1
1 849 . 11 1 1 A 77 77 PRO CB C 77 31.950 31.941 0.009 1
1 852 . 11 1 1 A 78 78 VAL H H 78 8.974 7.737 1.237 1
1 853 . 11 1 1 A 78 78 VAL HA H 78 4.187 4.165 0.022 1
1 861 . 11 1 1 A 78 78 VAL CA C 78 61.637 61.078 0.559 1
1 862 . 11 1 1 A 78 78 VAL CB C 78 31.654 32.212 -0.558 1
1 865 . 11 1 1 A 78 78 VAL N N 78 128.688 119.755 8.933 1
1 866 . 11 1 1 A 79 79 PRO HA H 79 3.938 4.253 -0.315 1
1 873 . 11 1 1 A 79 79 PRO CA C 79 63.962 65.165 -1.203 1
1 874 . 11 1 1 A 79 79 PRO CB C 79 30.887 31.887 -1.000 1
1 877 . 11 1 1 A 80 80 PHE HA H 80 4.350 4.335 0.015 1
1 884 . 11 1 1 A 80 80 PHE CA C 80 59.032 60.094 -1.062 1
1 885 . 11 1 1 A 80 80 PHE CB C 80 37.686 38.627 -0.941 1
1 888 . 11 1 1 A 81 81 CYS H H 81 7.686 8.259 -0.573 1
1 889 . 11 1 1 A 81 81 CYS HA H 81 4.001 4.134 -0.133 1
1 892 . 11 1 1 A 81 81 CYS CA C 81 64.779 62.505 2.274 1
1 893 . 11 1 1 A 81 81 CYS CB C 81 29.524 26.690 2.834 1
1 894 . 11 1 1 A 81 81 CYS N N 81 124.176 118.740 5.436 1
1 895 . 11 1 1 A 82 82 LEU H H 82 8.267 8.288 -0.021 1
1 896 . 11 1 1 A 82 82 LEU HA H 82 4.010 3.775 0.235 1
1 906 . 11 1 1 A 82 82 LEU CA C 82 58.340 57.994 0.346 1
1 907 . 11 1 1 A 82 82 LEU CB C 82 40.862 41.388 -0.526 1
1 911 . 11 1 1 A 82 82 LEU N N 82 114.980 121.298 -6.318 1
1 912 . 11 1 1 A 83 83 ASN H H 83 7.917 8.299 -0.382 1
1 913 . 11 1 1 A 83 83 ASN HA H 83 4.490 4.745 -0.255 1
1 918 . 11 1 1 A 83 83 ASN CA C 83 56.061 56.658 -0.597 1
1 919 . 11 1 1 A 83 83 ASN CB C 83 38.494 38.618 -0.124 1
1 920 . 11 1 1 A 83 83 ASN N N 83 116.542 117.448 -0.906 1
1 922 . 11 1 1 A 84 84 ILE H H 84 8.788 8.179 0.609 1
1 923 . 11 1 1 A 84 84 ILE HA H 84 3.734 3.886 -0.152 1
1 933 . 11 1 1 A 84 84 ILE CA C 84 65.142 64.566 0.576 1
1 934 . 11 1 1 A 84 84 ILE CB C 84 38.039 37.784 0.255 1
1 938 . 11 1 1 A 84 84 ILE N N 84 121.747 120.708 1.039 1
1 939 . 11 1 1 A 85 85 LYS H H 85 8.954 8.506 0.448 1
1 940 . 11 1 1 A 85 85 LYS HA H 85 3.839 3.952 -0.113 1
1 949 . 11 1 1 A 85 85 LYS CA C 85 60.936 59.420 1.516 1
1 950 . 11 1 1 A 85 85 LYS CB C 85 32.041 32.107 -0.066 1
1 954 . 11 1 1 A 85 85 LYS N N 85 119.665 120.740 -1.075 1
1 955 . 11 1 1 A 86 86 HIS H H 86 8.043 7.966 0.077 1
1 956 . 11 1 1 A 86 86 HIS HA H 86 4.411 4.345 0.066 1
1 960 . 11 1 1 A 86 86 HIS CA C 86 58.746 59.408 -0.662 1
1 961 . 11 1 1 A 86 86 HIS CB C 86 30.067 29.622 0.445 1
1 963 . 11 1 1 A 86 86 HIS N N 86 116.542 118.331 -1.789 1
1 964 . 11 1 1 A 87 87 LYS H H 87 7.822 7.823 -0.001 1
1 965 . 11 1 1 A 87 87 LYS HA H 87 4.158 4.016 0.142 1
1 968 . 11 1 1 A 87 87 LYS CA C 87 57.879 59.154 -1.275 1
1 969 . 11 1 1 A 87 87 LYS N N 87 119.318 119.260 0.058 1
1 970 . 11 1 1 A 88 88 LEU H H 88 8.405 8.302 0.103 1
1 971 . 11 1 1 A 88 88 LEU HA H 88 4.194 4.143 0.051 1
1 981 . 11 1 1 A 88 88 LEU CA C 88 56.289 57.211 -0.922 1
1 982 . 11 1 1 A 88 88 LEU CB C 88 41.692 41.612 0.080 1
1 986 . 11 1 1 A 88 88 LEU N N 88 119.144 119.312 -0.168 1
1 987 . 11 1 1 A 89 89 ARG H H 89 7.826 8.458 -0.632 1
1 988 . 11 1 1 A 89 89 ARG HA H 89 4.271 4.020 0.251 1
1 995 . 11 1 1 A 89 89 ARG CA C 89 56.666 59.568 -2.902 1
1 996 . 11 1 1 A 89 89 ARG CB C 89 29.965 29.903 0.062 1
1 999 . 11 1 1 A 89 89 ARG N N 89 118.450 118.928 -0.478 1
1 1000 . 11 1 1 A 90 90 GLN H H 90 7.935 8.263 -0.328 1
1 1001 . 11 1 1 A 90 90 GLN HA H 90 4.270 4.196 0.074 1
1 1008 . 11 1 1 A 90 90 GLN CA C 90 55.840 56.303 -0.463 1
1 1009 . 11 1 1 A 90 90 GLN CB C 90 28.989 27.807 1.182 1
1 1011 . 11 1 1 A 90 90 GLN N N 90 119.318 114.801 4.517 1
1 1013 . 11 1 1 A 91 91 GLN H H 91 8.141 7.382 0.759 1
1 1014 . 11 1 1 A 91 91 GLN HA H 91 4.352 4.609 -0.257 1
1 1021 . 11 1 1 A 91 91 GLN CA C 91 55.581 54.019 1.562 1
1 1022 . 11 1 1 A 91 91 GLN CB C 91 29.284 31.365 -2.081 1
1 1024 . 11 1 1 A 91 91 GLN N N 91 120.706 117.376 3.330 1
1 1043 . 11 2 2 B 2 2 SER CB C 707 63.646 64.556 -0.910 1
1 1044 . 11 2 2 B 3 3 HIS HA H 708 4.663 5.003 -0.340 1
1 1047 . 11 2 2 B 3 3 HIS CA C 708 56.033 55.063 0.970 1
1 1048 . 11 2 2 B 3 3 HIS CB C 708 30.146 31.387 -1.241 1
1 1053 . 11 2 2 B 5 5 SER H H 710 8.437 8.870 -0.433 1
1 1054 . 11 2 2 B 5 5 SER HA H 710 4.429 4.265 0.164 1
1 1057 . 11 2 2 B 5 5 SER CA C 710 58.340 60.086 -1.746 1
1 1058 . 11 2 2 B 5 5 SER CB C 710 63.416 64.276 -0.860 1
1 1059 . 11 2 2 B 5 5 SER N N 710 117.160 116.721 0.439 1
1 1060 . 11 2 2 B 6 6 GLU H H 711 8.458 7.985 0.473 1
1 1061 . 11 2 2 B 6 6 GLU HA H 711 4.311 4.239 0.072 1
1 1066 . 11 2 2 B 6 6 GLU CA C 711 56.033 57.530 -1.497 1
1 1067 . 11 2 2 B 6 6 GLU CB C 711 30.223 29.503 0.720 1
1 1069 . 11 2 2 B 6 6 GLU N N 711 123.053 120.624 2.429 1
1 1070 . 11 2 2 B 7 7 VAL H H 712 8.150 8.173 -0.023 1
1 1071 . 11 2 2 B 7 7 VAL HA H 712 4.050 4.751 -0.701 1
1 1079 . 11 2 2 B 7 7 VAL CA C 712 61.801 58.990 2.811 1
1 1080 . 11 2 2 B 7 7 VAL CB C 712 32.041 36.482 -4.441 1
1 1083 . 11 2 2 B 7 7 VAL N N 712 121.173 114.916 6.257 1
1 1084 . 11 2 2 B 8 8 HIS H H 713 8.495 8.805 -0.310 1
1 1085 . 11 2 2 B 8 8 HIS HA H 713 4.914 5.077 -0.163 1
1 1089 . 11 2 2 B 8 8 HIS CA C 713 53.945 53.819 0.126 1
1 1090 . 11 2 2 B 8 8 HIS CB C 713 30.218 30.592 -0.374 1
1 1092 . 11 2 2 B 8 8 HIS N N 713 125.310 117.864 7.446 1
1 1093 . 11 2 2 B 9 9 PRO HA H 714 4.430 4.546 -0.116 1
1 1100 . 11 2 2 B 9 9 PRO CA C 714 63.409 62.340 1.069 1
1 1101 . 11 2 2 B 9 9 PRO CB C 714 32.018 32.671 -0.653 1
1 1104 . 11 2 2 B 10 10 SER H H 715 8.889 8.453 0.436 1
1 1105 . 11 2 2 B 10 10 SER HA H 715 4.437 4.553 -0.116 1
1 1108 . 11 2 2 B 10 10 SER CA C 715 58.571 60.289 -1.718 1
1 1109 . 11 2 2 B 10 10 SER CB C 715 63.213 64.196 -0.983 1
1 1110 . 11 2 2 B 10 10 SER N N 715 116.533 117.977 -1.444 1
1 1111 . 11 2 2 B 11 11 ARG H H 716 8.442 8.608 -0.166 1
1 1112 . 11 2 2 B 11 11 ARG HA H 716 4.388 5.044 -0.656 1
1 1119 . 11 2 2 B 11 11 ARG CA C 716 55.882 54.041 1.841 1
1 1120 . 11 2 2 B 11 11 ARG CB C 716 30.395 34.687 -4.292 1
1 1123 . 11 2 2 B 11 11 ARG N N 716 122.803 122.293 0.510 1
1 1124 . 11 2 2 B 12 12 LEU H H 717 8.133 8.857 -0.724 1
1 1125 . 11 2 2 B 12 12 LEU HA H 717 4.356 4.926 -0.570 1
1 1135 . 11 2 2 B 12 12 LEU CA C 717 54.880 53.279 1.601 1
1 1136 . 11 2 2 B 12 12 LEU CB C 717 42.081 44.257 -2.176 1
1 1140 . 11 2 2 B 12 12 LEU N N 717 122.552 121.817 0.735 1
1 1141 . 11 2 2 B 13 13 GLN H H 718 8.440 8.611 -0.171 1
1 1142 . 11 2 2 B 13 13 GLN HA H 718 4.454 3.973 0.481 1
1 1149 . 11 2 2 B 13 13 GLN CA C 718 55.341 56.942 -1.601 1
1 1150 . 11 2 2 B 13 13 GLN CB C 718 29.285 28.911 0.374 1
1 1152 . 11 2 2 B 13 13 GLN N N 718 121.298 119.897 1.401 1
1 1154 . 11 2 2 B 14 14 THR H H 719 8.257 8.805 -0.548 1
1 1155 . 11 2 2 B 14 14 THR HA H 719 4.438 4.114 0.324 1
1 1160 . 11 2 2 B 14 14 THR CA C 719 61.339 63.533 -2.194 1
1 1161 . 11 2 2 B 14 14 THR CB C 719 69.456 66.829 2.627 1
1 1163 . 11 2 2 B 14 14 THR N N 719 115.154 118.456 -3.302 1
1 1164 . 11 2 2 B 15 15 THR H H 720 8.240 7.734 0.506 1
1 1165 . 11 2 2 B 15 15 THR HA H 720 4.275 3.785 0.490 1
1 1170 . 11 2 2 B 15 15 THR CA C 720 61.967 67.458 -5.491 1
1 1171 . 11 2 2 B 15 15 THR CB C 720 69.183 68.638 0.545 1
1 1173 . 11 2 2 B 15 15 THR N N 720 115.029 116.505 -1.476 1
1 1174 . 11 2 2 B 16 16 ASP H H 721 8.293 8.090 0.203 1
1 1175 . 11 2 2 B 16 16 ASP HA H 721 4.494 4.482 0.012 1
1 1178 . 11 2 2 B 16 16 ASP CA C 721 54.880 56.196 -1.316 1
1 1179 . 11 2 2 B 16 16 ASP CB C 721 40.891 40.515 0.376 1
1 1180 . 11 2 2 B 16 16 ASP N N 721 122.427 119.715 2.712 1
1 1181 . 11 2 2 B 17 17 ASN H H 722 8.272 7.914 0.358 1
1 1182 . 11 2 2 B 17 17 ASN HA H 722 4.577 4.977 -0.400 1
1 1187 . 11 2 2 B 17 17 ASN CA C 722 53.330 52.123 1.207 1
1 1188 . 11 2 2 B 17 17 ASN CB C 722 38.332 39.445 -1.113 1
1 1189 . 11 2 2 B 17 17 ASN N N 722 118.916 118.176 0.740 1
1 1191 . 11 2 2 B 18 18 LEU H H 723 8.204 7.505 0.699 1
1 1192 . 11 2 2 B 18 18 LEU HA H 723 4.191 4.083 0.108 1
1 1202 . 11 2 2 B 18 18 LEU CA C 723 54.200 57.586 -3.386 1
1 1203 . 11 2 2 B 18 18 LEU CB C 723 43.545 41.538 2.007 1
1 1207 . 11 2 2 B 18 18 LEU N N 723 121.173 119.092 2.081 1
1 1208 . 11 2 2 B 19 19 LEU H H 724 7.416 7.562 -0.146 1
1 1209 . 11 2 2 B 19 19 LEU HA H 724 4.273 4.332 -0.059 1
1 1219 . 11 2 2 B 19 19 LEU CA C 724 52.415 53.931 -1.516 1
1 1220 . 11 2 2 B 19 19 LEU CB C 724 40.471 42.173 -1.702 1
1 1224 . 11 2 2 B 19 19 LEU N N 724 117.286 121.238 -3.952 1
1 1225 . 11 2 2 B 20 20 PRO HA H 725 4.271 4.483 -0.212 1
1 1232 . 11 2 2 B 20 20 PRO CA C 725 63.877 64.177 -0.300 1
1 1233 . 11 2 2 B 20 20 PRO CB C 725 32.716 31.686 1.030 1
1 1236 . 11 2 2 B 21 21 MET H H 726 8.932 7.601 1.331 1
1 1237 . 11 2 2 B 21 21 MET HA H 726 4.841 4.891 -0.050 1
1 1245 . 11 2 2 B 21 21 MET CA C 726 54.199 54.382 -0.183 1
1 1246 . 11 2 2 B 21 21 MET CB C 726 36.939 35.804 1.135 1
1 1249 . 11 2 2 B 21 21 MET N N 726 116.784 118.430 -1.646 1
1 1250 . 11 2 2 B 22 22 SER H H 727 8.956 8.913 0.043 1
1 1251 . 11 2 2 B 22 22 SER HA H 727 4.771 5.060 -0.289 1
1 1254 . 11 2 2 B 22 22 SER CA C 727 56.255 56.462 -0.207 1
1 1255 . 11 2 2 B 22 22 SER CB C 727 62.528 63.572 -1.044 1
1 1256 . 11 2 2 B 22 22 SER N N 727 119.167 116.654 2.513 1
1 1257 . 11 2 2 B 23 23 PRO HA H 728 4.312 4.294 0.018 1
1 1264 . 11 2 2 B 23 23 PRO CA C 728 65.953 65.734 0.219 1
1 1265 . 11 2 2 B 23 23 PRO CB C 728 31.810 31.790 0.020 1
1 1268 . 11 2 2 B 24 24 GLU H H 729 8.877 8.443 0.434 1
1 1269 . 11 2 2 B 24 24 GLU HA H 729 4.163 4.086 0.077 1
1 1274 . 11 2 2 B 24 24 GLU CA C 729 59.748 59.953 -0.205 1
1 1275 . 11 2 2 B 24 24 GLU CB C 729 28.819 28.971 -0.152 1
1 1277 . 11 2 2 B 24 24 GLU N N 729 116.283 117.706 -1.423 1
1 1278 . 11 2 2 B 25 25 GLU H H 730 7.789 7.459 0.330 1
1 1279 . 11 2 2 B 25 25 GLU HA H 730 3.787 3.995 -0.208 1
1 1284 . 11 2 2 B 25 25 GLU CA C 730 59.266 59.081 0.185 1
1 1285 . 11 2 2 B 25 25 GLU CB C 730 29.501 29.519 -0.018 1
1 1287 . 11 2 2 B 25 25 GLU N N 730 121.298 120.513 0.785 1
1 1288 . 11 2 2 B 26 26 PHE H H 731 8.730 8.606 0.124 1
1 1289 . 11 2 2 B 26 26 PHE HA H 731 4.364 4.219 0.145 1
1 1296 . 11 2 2 B 26 26 PHE CA C 731 59.724 61.304 -1.580 1
1 1297 . 11 2 2 B 26 26 PHE CB C 731 38.230 39.399 -1.169 1
1 1300 . 11 2 2 B 26 26 PHE N N 731 119.543 121.594 -2.051 1
1 1301 . 11 2 2 B 27 27 ASP H H 732 8.587 8.504 0.083 1
1 1302 . 11 2 2 B 27 27 ASP HA H 732 4.097 4.355 -0.258 1
1 1305 . 11 2 2 B 27 27 ASP CA C 732 57.256 58.052 -0.796 1
1 1306 . 11 2 2 B 27 27 ASP CB C 732 40.421 41.806 -1.385 1
1 1307 . 11 2 2 B 27 27 ASP N N 732 121.549 118.701 2.848 1
1 1308 . 11 2 2 B 28 28 GLU H H 733 7.383 7.720 -0.337 1
1 1309 . 11 2 2 B 28 28 GLU HA H 733 4.155 4.105 0.050 1
1 1314 . 11 2 2 B 28 28 GLU CA C 733 58.749 58.709 0.040 1
1 1315 . 11 2 2 B 28 28 GLU CB C 733 28.933 29.169 -0.236 1
1 1317 . 11 2 2 B 28 28 GLU N N 733 119.793 119.819 -0.026 1
1 1318 . 11 2 2 B 29 29 VAL H H 734 8.246 8.024 0.222 1
1 1319 . 11 2 2 B 29 29 VAL HA H 734 3.595 3.476 0.119 1
1 1327 . 11 2 2 B 29 29 VAL CA C 734 66.219 66.191 0.028 1
1 1328 . 11 2 2 B 29 29 VAL CB C 734 31.362 31.561 -0.199 1
1 1331 . 11 2 2 B 29 29 VAL N N 734 118.540 120.874 -2.334 1
1 1332 . 11 2 2 B 30 30 SER H H 735 8.384 8.206 0.178 1
1 1333 . 11 2 2 B 30 30 SER HA H 735 3.912 3.713 0.199 1
1 1336 . 11 2 2 B 30 30 SER CA C 735 61.703 61.223 0.480 1
1 1337 . 11 2 2 B 30 30 SER CB C 735 62.059 62.712 -0.653 1
1 1338 . 11 2 2 B 30 30 SER N N 735 115.154 115.012 0.142 1
1 1339 . 11 2 2 B 31 31 ARG H H 736 7.683 7.837 -0.154 1
1 1340 . 11 2 2 B 31 31 ARG HA H 736 4.027 4.067 -0.040 1
1 1348 . 11 2 2 B 31 31 ARG CA C 736 58.571 58.344 0.227 1
1 1349 . 11 2 2 B 31 31 ARG CB C 736 30.068 29.789 0.279 1
1 1352 . 11 2 2 B 31 31 ARG N N 736 121.549 121.067 0.482 1
1 1354 . 11 2 2 B 32 32 ILE H H 737 7.703 7.177 0.526 1
1 1355 . 11 2 2 B 32 32 ILE HA H 737 3.859 3.894 -0.035 1
1 1365 . 11 2 2 B 32 32 ILE CA C 737 63.445 64.013 -0.568 1
1 1366 . 11 2 2 B 32 32 ILE CB C 737 38.332 38.170 0.162 1
1 1370 . 11 2 2 B 32 32 ILE N N 737 119.167 119.770 -0.603 1
1 1371 . 11 2 2 B 33 33 VAL H H 738 8.293 7.814 0.479 1
1 1372 . 11 2 2 B 33 33 VAL HA H 738 3.901 3.862 0.039 1
1 1380 . 11 2 2 B 33 33 VAL CA C 738 63.805 64.777 -0.972 1
1 1381 . 11 2 2 B 33 33 VAL CB C 738 32.408 31.792 0.616 1
1 1384 . 11 2 2 B 33 33 VAL N N 738 116.157 119.275 -3.118 1
1 1385 . 11 2 2 B 34 34 GLY H H 739 7.868 7.807 0.061 1
1 1386 . 11 2 2 B 34 34 GLY HA2 H 739 3.813 3.849 -0.036 1
1 1387 . 11 2 2 B 34 34 GLY HA3 H 739 4.120 3.870 0.250 1
1 1388 . 11 2 2 B 34 34 GLY CA C 739 44.831 46.214 -1.383 1
1 1389 . 11 2 2 B 34 34 GLY N N 739 108.258 109.821 -1.563 1
1 1390 . 11 2 2 B 35 35 SER H H 740 8.366 8.169 0.197 1
1 1391 . 11 2 2 B 35 35 SER HA H 740 4.389 3.871 0.518 1
1 1394 . 11 2 2 B 35 35 SER CA C 740 58.261 59.018 -0.757 1
1 1395 . 11 2 2 B 35 35 SER CB C 740 62.663 61.585 1.078 1
1 1396 . 11 2 2 B 35 35 SER N N 740 116.408 108.803 7.605 1
1 1397 . 11 2 2 B 36 36 VAL H H 741 7.897 7.366 0.531 1
1 1398 . 11 2 2 B 36 36 VAL HA H 741 4.054 3.778 0.276 1
1 1406 . 11 2 2 B 36 36 VAL CA C 741 61.737 66.342 -4.605 1
1 1407 . 11 2 2 B 36 36 VAL CB C 741 33.084 32.061 1.023 1
1 1410 . 11 2 2 B 36 36 VAL N N 741 122.928 120.034 2.894 1
1 1411 . 11 2 2 B 37 37 GLU H H 742 8.468 7.918 0.550 1
1 1412 . 11 2 2 B 37 37 GLU HA H 742 4.306 4.678 -0.372 1
1 1417 . 11 2 2 B 37 37 GLU CA C 742 55.803 55.463 0.340 1
1 1418 . 11 2 2 B 37 37 GLU CB C 742 29.029 29.862 -0.833 1
1 1420 . 11 2 2 B 37 37 GLU N N 742 124.057 117.490 6.567 1
1 1421 . 11 2 2 B 38 38 PHE H H 743 8.222 7.646 0.576 1
1 1422 . 11 2 2 B 38 38 PHE HA H 743 4.360 4.093 0.267 1
1 1429 . 11 2 2 B 38 38 PHE CA C 743 59.263 61.706 -2.443 1
1 1430 . 11 2 2 B 38 38 PHE CB C 743 39.524 39.685 -0.161 1
1 1433 . 11 2 2 B 38 38 PHE N N 743 122.427 120.649 1.778 1
1 1434 . 11 2 2 B 39 39 ASP H H 744 8.602 8.717 -0.115 1
1 1435 . 11 2 2 B 39 39 ASP HA H 744 4.380 4.415 -0.035 1
1 1438 . 11 2 2 B 39 39 ASP CA C 744 56.495 54.835 1.660 1
1 1439 . 11 2 2 B 39 39 ASP CB C 744 40.119 39.323 0.796 1
1 1440 . 11 2 2 B 39 39 ASP N N 744 120.044 117.416 2.628 1
1 1441 . 11 2 2 B 40 40 SER H H 745 8.143 8.126 0.017 1
1 1442 . 11 2 2 B 40 40 SER HA H 745 4.328 4.738 -0.410 1
1 1445 . 11 2 2 B 40 40 SER CA C 745 59.724 57.136 2.588 1
1 1446 . 11 2 2 B 40 40 SER CB C 745 62.723 63.577 -0.854 1
1 1447 . 11 2 2 B 40 40 SER N N 745 114.527 115.521 -0.994 1
1 1448 . 11 2 2 B 41 41 MET H H 746 7.930 7.910 0.020 1
1 1449 . 11 2 2 B 41 41 MET HA H 746 4.374 4.279 0.095 1
1 1457 . 11 2 2 B 41 41 MET CA C 746 56.244 57.869 -1.625 1
1 1458 . 11 2 2 B 41 41 MET CB C 746 32.502 31.534 0.968 1
1 1461 . 11 2 2 B 41 41 MET N N 746 120.044 120.841 -0.797 1
1 1462 . 11 2 2 B 42 42 MET H H 747 7.784 7.888 -0.104 1
1 1463 . 11 2 2 B 42 42 MET HA H 747 4.232 4.509 -0.277 1
1 1471 . 11 2 2 B 42 42 MET CA C 747 55.830 56.360 -0.530 1
1 1472 . 11 2 2 B 42 42 MET CB C 747 32.502 31.920 0.582 1
1 1475 . 11 2 2 B 42 42 MET N N 747 117.035 118.794 -1.759 1
1 1476 . 11 2 2 B 43 43 ASN H H 748 7.960 8.188 -0.228 1
1 1477 . 11 2 2 B 43 43 ASN HA H 748 4.831 4.499 0.332 1
1 1482 . 11 2 2 B 43 43 ASN CA C 748 53.146 55.679 -2.533 1
1 1483 . 11 2 2 B 43 43 ASN CB C 748 38.795 39.214 -0.419 1
1 1484 . 11 2 2 B 43 43 ASN N N 748 117.537 119.679 -2.142 1
1 1486 . 11 2 2 B 44 44 THR H H 749 8.039 7.948 0.091 1
1 1487 . 11 2 2 B 44 44 THR HA H 749 4.432 4.020 0.412 1
1 1492 . 11 2 2 B 44 44 THR CA C 749 61.570 66.155 -4.585 1
1 1493 . 11 2 2 B 44 44 THR CB C 749 69.644 68.261 1.383 1
1 1495 . 11 2 2 B 44 44 THR N N 749 114.026 115.980 -1.954 1
1 6 . 12 1 1 A 2 2 PRO HA H 2 4.396 4.317 0.079 1
1 13 . 12 1 1 A 2 2 PRO CA C 2 65.107 65.672 -0.565 1
1 14 . 12 1 1 A 2 2 PRO CB C 2 31.810 31.516 0.294 1
1 17 . 12 1 1 A 3 3 GLN H H 3 8.509 8.312 0.197 1
1 18 . 12 1 1 A 3 3 GLN HA H 3 3.962 4.158 -0.196 1
1 25 . 12 1 1 A 3 3 GLN CA C 3 59.223 58.530 0.693 1
1 26 . 12 1 1 A 3 3 GLN CB C 3 28.119 29.283 -1.164 1
1 28 . 12 1 1 A 3 3 GLN N N 3 117.064 117.829 -0.765 1
1 30 . 12 1 1 A 4 4 GLU H H 4 7.950 8.298 -0.348 1
1 31 . 12 1 1 A 4 4 GLU HA H 4 4.105 4.055 0.050 1
1 36 . 12 1 1 A 4 4 GLU CA C 4 58.778 59.349 -0.571 1
1 37 . 12 1 1 A 4 4 GLU CB C 4 29.734 29.195 0.539 1
1 39 . 12 1 1 A 4 4 GLU N N 4 121.574 121.046 0.528 1
1 40 . 12 1 1 A 5 5 SER H H 5 8.511 8.364 0.147 1
1 41 . 12 1 1 A 5 5 SER HA H 5 4.238 4.182 0.056 1
1 44 . 12 1 1 A 5 5 SER CA C 5 61.377 61.072 0.305 1
1 45 . 12 1 1 A 5 5 SER CB C 5 62.351 62.575 -0.224 1
1 46 . 12 1 1 A 5 5 SER N N 5 115.674 114.131 1.543 1
1 47 . 12 1 1 A 6 6 ARG H H 6 8.276 7.476 0.800 1
1 48 . 12 1 1 A 6 6 ARG HA H 6 4.324 4.184 0.140 1
1 55 . 12 1 1 A 6 6 ARG CA C 6 58.988 59.346 -0.358 1
1 56 . 12 1 1 A 6 6 ARG CB C 6 30.426 30.322 0.104 1
1 59 . 12 1 1 A 6 6 ARG N N 6 122.441 121.819 0.622 1
1 60 . 12 1 1 A 7 7 ARG H H 7 8.015 7.566 0.449 1
1 61 . 12 1 1 A 7 7 ARG HA H 7 3.955 4.069 -0.114 1
1 68 . 12 1 1 A 7 7 ARG CA C 7 59.724 58.948 0.776 1
1 69 . 12 1 1 A 7 7 ARG CB C 7 29.965 29.972 -0.007 1
1 72 . 12 1 1 A 7 7 ARG N N 7 119.491 119.464 0.027 1
1 73 . 12 1 1 A 8 8 LEU H H 8 8.158 8.542 -0.384 1
1 74 . 12 1 1 A 8 8 LEU HA H 8 4.161 4.124 0.037 1
1 84 . 12 1 1 A 8 8 LEU CA C 8 57.686 57.676 0.010 1
1 85 . 12 1 1 A 8 8 LEU CB C 8 41.312 41.367 -0.055 1
1 89 . 12 1 1 A 8 8 LEU N N 8 120.359 119.742 0.617 1
1 90 . 12 1 1 A 9 9 SER H H 9 8.090 7.924 0.166 1
1 91 . 12 1 1 A 9 9 SER HA H 9 4.292 4.213 0.079 1
1 94 . 12 1 1 A 9 9 SER CA C 9 61.570 62.106 -0.536 1
1 95 . 12 1 1 A 9 9 SER CB C 9 62.493 63.102 -0.609 1
1 96 . 12 1 1 A 9 9 SER N N 9 116.178 114.702 1.476 1
1 97 . 12 1 1 A 10 10 ILE H H 10 8.396 8.042 0.354 1
1 98 . 12 1 1 A 10 10 ILE HA H 10 3.505 3.541 -0.036 1
1 108 . 12 1 1 A 10 10 ILE CA C 10 65.608 65.014 0.594 1
1 109 . 12 1 1 A 10 10 ILE CB C 10 37.706 37.203 0.503 1
1 113 . 12 1 1 A 10 10 ILE N N 10 122.840 121.510 1.330 1
1 114 . 12 1 1 A 11 11 GLN H H 11 8.142 7.728 0.414 1
1 115 . 12 1 1 A 11 11 GLN HA H 11 4.032 4.028 0.004 1
1 122 . 12 1 1 A 11 11 GLN CA C 11 59.060 59.224 -0.164 1
1 123 . 12 1 1 A 11 11 GLN CB C 11 27.888 28.306 -0.418 1
1 125 . 12 1 1 A 11 11 GLN N N 11 119.144 118.991 0.153 1
1 127 . 12 1 1 A 12 12 ARG H H 12 8.330 7.756 0.574 1
1 128 . 12 1 1 A 12 12 ARG HA H 12 4.179 4.038 0.141 1
1 135 . 12 1 1 A 12 12 ARG CA C 12 59.494 59.401 0.093 1
1 136 . 12 1 1 A 12 12 ARG CB C 12 29.734 30.077 -0.343 1
1 138 . 12 1 1 A 12 12 ARG N N 12 120.186 119.561 0.625 1
1 139 . 12 1 1 A 13 13 CYS H H 13 8.242 7.717 0.525 1
1 140 . 12 1 1 A 13 13 CYS HA H 13 4.231 4.138 0.093 1
1 143 . 12 1 1 A 13 13 CYS CA C 13 63.289 63.941 -0.652 1
1 144 . 12 1 1 A 13 13 CYS CB C 13 26.505 27.138 -0.633 1
1 145 . 12 1 1 A 13 13 CYS N N 13 121.574 119.409 2.165 1
1 146 . 12 1 1 A 14 14 ILE H H 14 8.493 8.279 0.214 1
1 147 . 12 1 1 A 14 14 ILE HA H 14 3.787 3.575 0.212 1
1 157 . 12 1 1 A 14 14 ILE CA C 14 64.269 65.409 -1.140 1
1 158 . 12 1 1 A 14 14 ILE CB C 14 36.597 37.898 -1.301 1
1 162 . 12 1 1 A 14 14 ILE N N 14 120.012 120.121 -0.109 1
1 163 . 12 1 1 A 15 15 GLN H H 15 8.468 8.273 0.195 1
1 164 . 12 1 1 A 15 15 GLN HA H 15 4.107 4.022 0.085 1
1 171 . 12 1 1 A 15 15 GLN CA C 15 58.969 59.061 -0.092 1
1 172 . 12 1 1 A 15 15 GLN CB C 15 27.843 28.491 -0.648 1
1 174 . 12 1 1 A 15 15 GLN N N 15 119.665 118.874 0.791 1
1 176 . 12 1 1 A 16 16 SER H H 16 8.409 7.994 0.415 1
1 177 . 12 1 1 A 16 16 SER HA H 16 4.424 4.097 0.327 1
1 180 . 12 1 1 A 16 16 SER CA C 16 61.726 62.521 -0.795 1
1 181 . 12 1 1 A 16 16 SER CB C 16 62.564 63.057 -0.493 1
1 182 . 12 1 1 A 16 16 SER N N 16 117.062 116.221 0.841 1
1 183 . 12 1 1 A 17 17 LEU H H 17 8.235 8.136 0.099 1
1 184 . 12 1 1 A 17 17 LEU HA H 17 4.103 4.077 0.026 1
1 194 . 12 1 1 A 17 17 LEU CA C 17 58.340 57.861 0.479 1
1 195 . 12 1 1 A 17 17 LEU CB C 17 41.961 41.612 0.349 1
1 199 . 12 1 1 A 17 17 LEU N N 17 125.564 122.786 2.778 1
1 200 . 12 1 1 A 18 18 VAL H H 18 8.603 8.259 0.344 1
1 201 . 12 1 1 A 18 18 VAL HA H 18 3.261 3.552 -0.291 1
1 209 . 12 1 1 A 18 18 VAL CA C 18 67.097 66.518 0.579 1
1 210 . 12 1 1 A 18 18 VAL CB C 18 31.589 31.490 0.099 1
1 213 . 12 1 1 A 18 18 VAL N N 18 119.665 118.799 0.866 1
1 214 . 12 1 1 A 19 19 HIS H H 19 8.083 8.278 -0.195 1
1 215 . 12 1 1 A 19 19 HIS HA H 19 4.231 4.183 0.048 1
1 219 . 12 1 1 A 19 19 HIS CA C 19 59.641 60.181 -0.540 1
1 220 . 12 1 1 A 19 19 HIS CB C 19 26.966 29.627 -2.661 1
1 222 . 12 1 1 A 19 19 HIS N N 19 116.094 119.345 -3.251 1
1 223 . 12 1 1 A 20 20 ALA H H 20 8.796 8.363 0.433 1
1 224 . 12 1 1 A 20 20 ALA HA H 20 4.308 3.991 0.317 1
1 228 . 12 1 1 A 20 20 ALA CA C 20 55.341 55.200 0.141 1
1 229 . 12 1 1 A 20 20 ALA CB C 20 20.026 18.267 1.759 1
1 230 . 12 1 1 A 20 20 ALA N N 20 121.747 120.426 1.321 1
1 231 . 12 1 1 A 21 21 CYS H H 21 7.909 7.848 0.061 1
1 232 . 12 1 1 A 21 21 CYS HA H 21 4.294 4.252 0.042 1
1 235 . 12 1 1 A 21 21 CYS CA C 21 61.665 60.862 0.803 1
1 236 . 12 1 1 A 21 21 CYS CB C 21 26.764 26.926 -0.162 1
1 237 . 12 1 1 A 21 21 CYS N N 21 111.875 115.715 -3.840 1
1 238 . 12 1 1 A 22 22 GLN H H 22 7.357 7.745 -0.388 1
1 239 . 12 1 1 A 22 22 GLN HA H 22 4.531 4.351 0.180 1
1 246 . 12 1 1 A 22 22 GLN CA C 22 54.445 56.107 -1.662 1
1 247 . 12 1 1 A 22 22 GLN CB C 22 30.608 30.748 -0.140 1
1 249 . 12 1 1 A 22 22 GLN N N 22 116.021 117.369 -1.348 1
1 251 . 12 1 1 A 23 23 CYS H H 23 7.229 7.598 -0.369 1
1 252 . 12 1 1 A 23 23 CYS HA H 23 3.947 4.324 -0.377 1
1 255 . 12 1 1 A 23 23 CYS CA C 23 59.996 59.485 0.511 1
1 256 . 12 1 1 A 23 23 CYS CB C 23 29.000 28.651 0.349 1
1 257 . 12 1 1 A 23 23 CYS N N 23 124.350 118.618 5.732 1
1 258 . 12 1 1 A 24 24 ARG H H 24 8.966 8.698 0.268 1
1 259 . 12 1 1 A 24 24 ARG HA H 24 4.590 4.599 -0.009 1
1 266 . 12 1 1 A 24 24 ARG CA C 24 54.306 55.911 -1.605 1
1 267 . 12 1 1 A 24 24 ARG CB C 24 29.771 32.239 -2.468 1
1 270 . 12 1 1 A 24 24 ARG N N 24 129.729 123.031 6.698 1
1 271 . 12 1 1 A 25 25 ASN H H 25 7.823 7.029 0.794 1
1 272 . 12 1 1 A 25 25 ASN HA H 25 4.853 4.663 0.190 1
1 277 . 12 1 1 A 25 25 ASN CA C 25 51.372 53.551 -2.179 1
1 278 . 12 1 1 A 25 25 ASN CB C 25 38.727 38.880 -0.153 1
1 279 . 12 1 1 A 25 25 ASN N N 25 120.186 118.764 1.422 1
1 281 . 12 1 1 A 26 26 ALA H H 26 9.248 8.819 0.429 1
1 282 . 12 1 1 A 26 26 ALA HA H 26 4.091 4.063 0.028 1
1 286 . 12 1 1 A 26 26 ALA CA C 26 54.027 54.733 -0.706 1
1 287 . 12 1 1 A 26 26 ALA CB C 26 18.209 18.559 -0.350 1
1 288 . 12 1 1 A 26 26 ALA N N 26 130.423 126.436 3.987 1
1 289 . 12 1 1 A 27 27 ASN H H 27 8.085 7.987 0.098 1
1 290 . 12 1 1 A 27 27 ASN HA H 27 4.834 4.997 -0.163 1
1 295 . 12 1 1 A 27 27 ASN CA C 27 51.625 52.145 -0.520 1
1 296 . 12 1 1 A 27 27 ASN CB C 27 38.577 39.378 -0.801 1
1 297 . 12 1 1 A 27 27 ASN N N 27 113.766 115.813 -2.047 1
1 299 . 12 1 1 A 28 28 CYS H H 28 7.209 7.803 -0.594 1
1 300 . 12 1 1 A 28 28 CYS HA H 28 4.053 4.403 -0.350 1
1 303 . 12 1 1 A 28 28 CYS CA C 28 61.312 59.611 1.701 1
1 304 . 12 1 1 A 28 28 CYS CB C 28 29.674 29.164 0.510 1
1 305 . 12 1 1 A 28 28 CYS N N 28 123.309 121.222 2.087 1
1 306 . 12 1 1 A 29 29 SER H H 29 8.922 8.577 0.345 1
1 307 . 12 1 1 A 29 29 SER HA H 29 4.609 4.205 0.404 1
1 310 . 12 1 1 A 29 29 SER CA C 29 57.450 60.843 -3.393 1
1 311 . 12 1 1 A 29 29 SER CB C 29 63.604 63.038 0.566 1
1 312 . 12 1 1 A 29 29 SER N N 29 124.870 119.043 5.827 1
1 313 . 12 1 1 A 30 30 LEU H H 30 8.513 7.564 0.949 1
1 314 . 12 1 1 A 30 30 LEU HA H 30 4.497 4.408 0.089 1
1 324 . 12 1 1 A 30 30 LEU CA C 30 53.980 52.873 1.107 1
1 325 . 12 1 1 A 30 30 LEU CB C 30 40.643 41.674 -1.031 1
1 329 . 12 1 1 A 30 30 LEU N N 30 128.341 124.741 3.600 1
1 330 . 12 1 1 A 31 31 PRO HA H 31 4.329 4.285 0.044 1
1 337 . 12 1 1 A 31 31 PRO CA C 31 65.026 64.701 0.325 1
1 338 . 12 1 1 A 31 31 PRO CB C 31 31.580 32.199 -0.619 1
1 341 . 12 1 1 A 32 32 SER H H 32 8.537 8.122 0.415 1
1 342 . 12 1 1 A 32 32 SER HA H 32 4.287 4.209 0.078 1
1 345 . 12 1 1 A 32 32 SER CA C 32 60.277 61.309 -1.032 1
1 346 . 12 1 1 A 32 32 SER CB C 32 62.277 62.489 -0.212 1
1 347 . 12 1 1 A 32 32 SER N N 32 112.551 111.811 0.740 1
1 348 . 12 1 1 A 33 33 CYS H H 33 7.523 8.099 -0.576 1
1 349 . 12 1 1 A 33 33 CYS HA H 33 4.170 3.922 0.248 1
1 352 . 12 1 1 A 33 33 CYS CA C 33 63.408 62.904 0.504 1
1 353 . 12 1 1 A 33 33 CYS CB C 33 29.503 26.597 2.906 1
1 354 . 12 1 1 A 33 33 CYS N N 33 126.085 120.612 5.473 1
1 355 . 12 1 1 A 34 34 GLN H H 34 8.102 7.857 0.245 1
1 356 . 12 1 1 A 34 34 GLN HA H 34 3.963 3.948 0.015 1
1 359 . 12 1 1 A 34 34 GLN N N 34 115.711 119.355 -3.644 1
1 361 . 12 1 1 A 35 35 LYS H H 35 8.093 7.677 0.416 1
1 362 . 12 1 1 A 35 35 LYS HA H 35 3.994 4.146 -0.152 1
1 371 . 12 1 1 A 35 35 LYS CA C 35 59.502 59.171 0.331 1
1 372 . 12 1 1 A 35 35 LYS CB C 35 32.273 32.305 -0.032 1
1 376 . 12 1 1 A 35 35 LYS N N 35 117.930 119.902 -1.972 1
1 377 . 12 1 1 A 36 36 MET H H 36 8.237 8.579 -0.342 1
1 378 . 12 1 1 A 36 36 MET HA H 36 4.488 4.062 0.426 1
1 386 . 12 1 1 A 36 36 MET CA C 36 56.725 59.331 -2.606 1
1 387 . 12 1 1 A 36 36 MET CB C 36 30.954 32.748 -1.794 1
1 390 . 12 1 1 A 36 36 MET N N 36 117.062 118.604 -1.542 1
1 391 . 12 1 1 A 37 37 LYS H H 37 9.107 8.126 0.981 1
1 392 . 12 1 1 A 37 37 LYS HA H 37 3.900 3.993 -0.093 1
1 401 . 12 1 1 A 37 37 LYS CA C 37 61.097 60.021 1.076 1
1 402 . 12 1 1 A 37 37 LYS CB C 37 32.947 32.291 0.656 1
1 406 . 12 1 1 A 37 37 LYS N N 37 120.186 118.738 1.448 1
1 407 . 12 1 1 A 38 38 ARG H H 38 7.781 7.950 -0.169 1
1 408 . 12 1 1 A 38 38 ARG HA H 38 4.127 4.119 0.008 1
1 413 . 12 1 1 A 38 38 ARG CA C 38 59.263 59.289 -0.026 1
1 414 . 12 1 1 A 38 38 ARG CB C 38 29.965 29.831 0.134 1
1 416 . 12 1 1 A 38 38 ARG N N 38 118.971 119.897 -0.926 1
1 417 . 12 1 1 A 39 39 VAL H H 39 8.289 7.915 0.374 1
1 418 . 12 1 1 A 39 39 VAL HA H 39 3.539 3.725 -0.186 1
1 426 . 12 1 1 A 39 39 VAL CA C 39 66.989 66.507 0.482 1
1 427 . 12 1 1 A 39 39 VAL CB C 39 31.451 31.732 -0.281 1
1 430 . 12 1 1 A 39 39 VAL N N 39 123.829 120.114 3.715 1
1 431 . 12 1 1 A 40 40 VAL H H 40 8.318 8.281 0.037 1
1 432 . 12 1 1 A 40 40 VAL HA H 40 3.528 3.770 -0.242 1
1 440 . 12 1 1 A 40 40 VAL CA C 40 67.050 65.262 1.788 1
1 441 . 12 1 1 A 40 40 VAL CB C 40 31.608 31.288 0.320 1
1 444 . 12 1 1 A 40 40 VAL N N 40 119.665 120.302 -0.637 1
1 445 . 12 1 1 A 41 41 GLN H H 41 8.263 8.057 0.206 1
1 446 . 12 1 1 A 41 41 GLN HA H 41 3.974 3.946 0.028 1
1 453 . 12 1 1 A 41 41 GLN CA C 41 58.571 59.203 -0.632 1
1 454 . 12 1 1 A 41 41 GLN CB C 41 28.018 28.369 -0.351 1
1 456 . 12 1 1 A 41 41 GLN N N 41 118.450 122.013 -3.563 1
1 458 . 12 1 1 A 42 42 HIS H H 42 8.309 8.094 0.215 1
1 459 . 12 1 1 A 42 42 HIS HA H 42 4.215 4.351 -0.136 1
1 463 . 12 1 1 A 42 42 HIS CA C 42 59.402 59.347 0.055 1
1 464 . 12 1 1 A 42 42 HIS CB C 42 26.966 30.297 -3.331 1
1 466 . 12 1 1 A 42 42 HIS N N 42 118.971 120.119 -1.148 1
1 467 . 12 1 1 A 43 43 THR H H 43 8.056 8.101 -0.045 1
1 468 . 12 1 1 A 43 43 THR HA H 43 3.929 3.709 0.220 1
1 474 . 12 1 1 A 43 43 THR CA C 43 66.101 66.978 -0.877 1
1 475 . 12 1 1 A 43 43 THR CB C 43 69.107 68.124 0.983 1
1 477 . 12 1 1 A 43 43 THR N N 43 114.320 113.087 1.233 1
1 478 . 12 1 1 A 44 44 LYS H H 44 7.531 7.970 -0.439 1
1 479 . 12 1 1 A 44 44 LYS HA H 44 4.085 4.171 -0.086 1
1 488 . 12 1 1 A 44 44 LYS CA C 44 58.682 58.722 -0.040 1
1 489 . 12 1 1 A 44 44 LYS CB C 44 32.024 32.536 -0.512 1
1 493 . 12 1 1 A 44 44 LYS N N 44 120.012 119.369 0.643 1
1 494 . 12 1 1 A 45 45 GLY H H 45 7.143 7.707 -0.564 1
1 495 . 12 1 1 A 45 45 GLY HA2 H 45 3.625 4.058 -0.433 1
1 496 . 12 1 1 A 45 45 GLY HA3 H 45 4.387 4.070 0.317 1
1 497 . 12 1 1 A 45 45 GLY CA C 45 44.289 45.500 -1.211 1
1 498 . 12 1 1 A 45 45 GLY N N 45 103.528 106.498 -2.970 1
1 499 . 12 1 1 A 46 46 CYS H H 46 6.988 7.247 -0.259 1
1 500 . 12 1 1 A 46 46 CYS HA H 46 3.955 4.408 -0.453 1
1 503 . 12 1 1 A 46 46 CYS CA C 46 60.654 59.205 1.449 1
1 504 . 12 1 1 A 46 46 CYS CB C 46 29.793 28.091 1.702 1
1 505 . 12 1 1 A 46 46 CYS N N 46 123.656 120.219 3.437 1
1 506 . 12 1 1 A 47 47 LYS H H 47 9.060 9.020 0.040 1
1 507 . 12 1 1 A 47 47 LYS HA H 47 4.489 4.522 -0.033 1
1 516 . 12 1 1 A 47 47 LYS CA C 47 56.127 56.171 -0.044 1
1 517 . 12 1 1 A 47 47 LYS CB C 47 32.393 33.407 -1.014 1
1 521 . 12 1 1 A 47 47 LYS N N 47 127.820 124.474 3.346 1
1 522 . 12 1 1 A 48 48 ARG H H 48 8.537 7.806 0.731 1
1 523 . 12 1 1 A 48 48 ARG HA H 48 4.330 4.438 -0.108 1
1 530 . 12 1 1 A 48 48 ARG CA C 48 57.648 56.550 1.098 1
1 531 . 12 1 1 A 48 48 ARG CB C 48 31.810 32.097 -0.287 1
1 534 . 12 1 1 A 48 48 ARG N N 48 122.615 116.929 5.686 1
1 535 . 12 1 1 A 49 49 LYS H H 49 8.522 7.943 0.579 1
1 536 . 12 1 1 A 49 49 LYS HA H 49 4.554 4.290 0.264 1
1 545 . 12 1 1 A 49 49 LYS CA C 49 57.417 56.866 0.551 1
1 546 . 12 1 1 A 49 49 LYS CB C 49 31.543 32.726 -1.183 1
1 550 . 12 1 1 A 49 49 LYS N N 49 117.583 119.494 -1.911 1
1 551 . 12 1 1 A 50 50 THR H H 50 7.992 8.852 -0.860 1
1 552 . 12 1 1 A 50 50 THR HA H 50 4.127 3.916 0.211 1
1 557 . 12 1 1 A 50 50 THR CA C 50 63.985 65.652 -1.667 1
1 558 . 12 1 1 A 50 50 THR CB C 50 68.157 68.193 -0.036 1
1 560 . 12 1 1 A 50 50 THR N N 50 113.245 112.971 0.274 1
1 561 . 12 1 1 A 51 51 ASN H H 51 8.888 8.284 0.604 1
1 562 . 12 1 1 A 51 51 ASN HA H 51 4.665 4.441 0.224 1
1 567 . 12 1 1 A 51 51 ASN CA C 51 54.159 55.980 -1.821 1
1 568 . 12 1 1 A 51 51 ASN CB C 51 37.857 38.595 -0.738 1
1 570 . 12 1 1 A 52 52 GLY H H 52 7.972 7.687 0.285 1
1 571 . 12 1 1 A 52 52 GLY HA2 H 52 3.893 4.028 -0.135 1
1 572 . 12 1 1 A 52 52 GLY HA3 H 52 4.101 4.031 0.070 1
1 573 . 12 1 1 A 52 52 GLY CA C 52 45.368 45.680 -0.312 1
1 574 . 12 1 1 A 52 52 GLY N N 52 106.651 105.904 0.747 1
1 575 . 12 1 1 A 53 53 GLY H H 53 7.765 8.038 -0.273 1
1 576 . 12 1 1 A 53 53 GLY HA2 H 53 3.837 4.071 -0.234 1
1 577 . 12 1 1 A 53 53 GLY HA3 H 53 4.079 4.071 0.008 1
1 578 . 12 1 1 A 53 53 GLY CA C 53 45.227 44.904 0.323 1
1 579 . 12 1 1 A 53 53 GLY N N 53 107.519 106.566 0.953 1
1 580 . 12 1 1 A 54 54 CYS H H 54 8.099 7.983 0.116 1
1 581 . 12 1 1 A 54 54 CYS HA H 54 4.720 4.583 0.137 1
1 584 . 12 1 1 A 54 54 CYS CA C 54 55.572 57.355 -1.783 1
1 585 . 12 1 1 A 54 54 CYS CB C 54 30.216 28.688 1.528 1
1 586 . 12 1 1 A 54 54 CYS N N 54 122.615 119.579 3.036 1
1 587 . 12 1 1 A 55 55 PRO HA H 55 4.237 4.423 -0.186 1
1 594 . 12 1 1 A 55 55 PRO CA C 55 64.757 64.307 0.450 1
1 595 . 12 1 1 A 55 55 PRO CB C 55 32.311 32.062 0.249 1
1 598 . 12 1 1 A 56 56 VAL H H 56 7.645 7.239 0.406 1
1 599 . 12 1 1 A 56 56 VAL HA H 56 3.384 3.753 -0.369 1
1 607 . 12 1 1 A 56 56 VAL CA C 56 66.184 65.918 0.266 1
1 608 . 12 1 1 A 56 56 VAL CB C 56 32.502 31.750 0.752 1
1 611 . 12 1 1 A 56 56 VAL N N 56 121.227 117.106 4.121 1
1 612 . 12 1 1 A 57 57 CYS H H 57 8.565 7.869 0.696 1
1 613 . 12 1 1 A 57 57 CYS HA H 57 4.034 4.049 -0.015 1
1 616 . 12 1 1 A 57 57 CYS CA C 57 65.746 63.676 2.070 1
1 617 . 12 1 1 A 57 57 CYS CB C 57 29.273 27.063 2.210 1
1 618 . 12 1 1 A 57 57 CYS N N 57 122.615 117.666 4.949 1
1 619 . 12 1 1 A 58 58 LYS H H 58 7.956 7.846 0.110 1
1 620 . 12 1 1 A 58 58 LYS HA H 58 3.874 3.963 -0.089 1
1 629 . 12 1 1 A 58 58 LYS CA C 58 59.955 59.329 0.626 1
1 630 . 12 1 1 A 58 58 LYS CB C 58 32.272 31.957 0.315 1
1 634 . 12 1 1 A 58 58 LYS N N 58 116.889 119.812 -2.923 1
1 635 . 12 1 1 A 59 59 GLN H H 59 7.359 7.690 -0.331 1
1 636 . 12 1 1 A 59 59 GLN HA H 59 3.789 4.012 -0.223 1
1 643 . 12 1 1 A 59 59 GLN CA C 59 60.647 58.680 1.967 1
1 644 . 12 1 1 A 59 59 GLN CB C 59 27.196 28.318 -1.122 1
1 646 . 12 1 1 A 59 59 GLN N N 59 116.889 119.498 -2.609 1
1 648 . 12 1 1 A 60 60 LEU H H 60 8.303 7.489 0.814 1
1 649 . 12 1 1 A 60 60 LEU HA H 60 4.093 3.963 0.130 1
1 659 . 12 1 1 A 60 60 LEU CA C 60 58.110 58.023 0.087 1
1 660 . 12 1 1 A 60 60 LEU CB C 60 40.807 40.965 -0.158 1
1 664 . 12 1 1 A 60 60 LEU N N 60 118.103 119.182 -1.079 1
1 665 . 12 1 1 A 61 61 ILE H H 61 8.804 8.073 0.731 1
1 666 . 12 1 1 A 61 61 ILE HA H 61 3.801 3.446 0.355 1
1 676 . 12 1 1 A 61 61 ILE CA C 61 63.416 66.003 -2.587 1
1 677 . 12 1 1 A 61 61 ILE CB C 61 36.886 37.850 -0.964 1
1 681 . 12 1 1 A 61 61 ILE N N 61 118.624 119.835 -1.211 1
1 682 . 12 1 1 A 62 62 ALA H H 62 7.796 7.705 0.091 1
1 683 . 12 1 1 A 62 62 ALA HA H 62 4.058 4.118 -0.060 1
1 687 . 12 1 1 A 62 62 ALA CA C 62 56.030 55.331 0.699 1
1 688 . 12 1 1 A 62 62 ALA CB C 62 18.068 18.343 -0.275 1
1 689 . 12 1 1 A 62 62 ALA N N 62 124.003 122.088 1.915 1
1 690 . 12 1 1 A 63 63 LEU H H 63 8.011 7.820 0.191 1
1 691 . 12 1 1 A 63 63 LEU HA H 63 4.077 4.097 -0.020 1
1 701 . 12 1 1 A 63 63 LEU CA C 63 58.110 57.854 0.256 1
1 702 . 12 1 1 A 63 63 LEU CB C 63 42.116 41.378 0.738 1
1 706 . 12 1 1 A 63 63 LEU N N 63 117.583 119.357 -1.774 1
1 707 . 12 1 1 A 64 64 CYS H H 64 8.818 8.732 0.086 1
1 708 . 12 1 1 A 64 64 CYS HA H 64 4.053 4.291 -0.238 1
1 711 . 12 1 1 A 64 64 CYS CA C 64 64.800 62.900 1.900 1
1 712 . 12 1 1 A 64 64 CYS CB C 64 26.504 26.940 -0.436 1
1 713 . 12 1 1 A 64 64 CYS N N 64 118.277 116.994 1.283 1
1 714 . 12 1 1 A 65 65 CYS H H 65 8.793 8.538 0.255 1
1 715 . 12 1 1 A 65 65 CYS HA H 65 4.258 4.146 0.112 1
1 718 . 12 1 1 A 65 65 CYS CA C 65 63.646 63.654 -0.008 1
1 719 . 12 1 1 A 65 65 CYS CB C 65 26.966 27.444 -0.478 1
1 720 . 12 1 1 A 65 65 CYS N N 65 118.971 119.320 -0.349 1
1 721 . 12 1 1 A 66 66 TYR H H 66 8.369 8.364 0.005 1
1 722 . 12 1 1 A 66 66 TYR HA H 66 4.034 4.212 -0.178 1
1 729 . 12 1 1 A 66 66 TYR CA C 66 60.886 61.801 -0.915 1
1 730 . 12 1 1 A 66 66 TYR CB C 66 37.808 38.421 -0.613 1
1 733 . 12 1 1 A 66 66 TYR N N 66 121.574 122.598 -1.024 1
1 734 . 12 1 1 A 67 67 HIS H H 67 8.633 7.934 0.699 1
1 735 . 12 1 1 A 67 67 HIS HA H 67 4.318 4.347 -0.029 1
1 740 . 12 1 1 A 67 67 HIS CA C 67 58.998 60.366 -1.368 1
1 741 . 12 1 1 A 67 67 HIS CB C 67 27.409 30.030 -2.621 1
1 744 . 12 1 1 A 67 67 HIS N N 67 117.409 119.033 -1.624 1
1 745 . 12 1 1 A 68 68 ALA H H 68 8.725 8.850 -0.125 1
1 746 . 12 1 1 A 68 68 ALA HA H 68 4.019 3.928 0.091 1
1 750 . 12 1 1 A 68 68 ALA CA C 68 54.690 55.155 -0.465 1
1 751 . 12 1 1 A 68 68 ALA CB C 68 19.964 18.465 1.499 1
1 752 . 12 1 1 A 68 68 ALA N N 68 122.094 120.950 1.144 1
1 753 . 12 1 1 A 69 69 LYS H H 69 7.362 7.867 -0.505 1
1 754 . 12 1 1 A 69 69 LYS HA H 69 3.736 3.937 -0.201 1
1 763 . 12 1 1 A 69 69 LYS CA C 69 58.137 58.964 -0.827 1
1 764 . 12 1 1 A 69 69 LYS CB C 69 32.224 32.064 0.160 1
1 768 . 12 1 1 A 69 69 LYS N N 69 114.807 117.696 -2.889 1
1 769 . 12 1 1 A 70 70 HIS H H 70 7.011 7.459 -0.448 1
1 770 . 12 1 1 A 70 70 HIS HA H 70 4.697 4.359 0.338 1
1 774 . 12 1 1 A 70 70 HIS CA C 70 54.835 57.796 -2.961 1
1 775 . 12 1 1 A 70 70 HIS CB C 70 30.477 30.837 -0.360 1
1 777 . 12 1 1 A 70 70 HIS N N 70 112.898 113.444 -0.546 1
1 778 . 12 1 1 A 71 71 CYS H H 71 7.012 7.581 -0.569 1
1 779 . 12 1 1 A 71 71 CYS HA H 71 4.032 4.152 -0.120 1
1 782 . 12 1 1 A 71 71 CYS CA C 71 59.948 60.031 -0.083 1
1 783 . 12 1 1 A 71 71 CYS CB C 71 29.752 28.025 1.727 1
1 784 . 12 1 1 A 71 71 CYS N N 71 123.829 116.979 6.850 1
1 785 . 12 1 1 A 72 72 GLN H H 72 9.181 8.870 0.311 1
1 786 . 12 1 1 A 72 72 GLN HA H 72 4.674 4.570 0.104 1
1 793 . 12 1 1 A 72 72 GLN CA C 72 54.224 55.522 -1.298 1
1 794 . 12 1 1 A 72 72 GLN CB C 72 29.049 30.099 -1.050 1
1 796 . 12 1 1 A 72 72 GLN N N 72 128.341 122.916 5.425 1
1 798 . 12 1 1 A 73 73 GLU H H 73 8.396 7.250 1.146 1
1 799 . 12 1 1 A 73 73 GLU HA H 73 4.389 4.399 -0.010 1
1 804 . 12 1 1 A 73 73 GLU CA C 73 55.341 56.626 -1.285 1
1 805 . 12 1 1 A 73 73 GLU CB C 73 30.239 31.072 -0.833 1
1 807 . 12 1 1 A 73 73 GLU N N 73 123.309 122.774 0.535 1
1 808 . 12 1 1 A 74 74 ASN H H 74 8.921 9.044 -0.123 1
1 809 . 12 1 1 A 74 74 ASN HA H 74 4.538 5.058 -0.520 1
1 814 . 12 1 1 A 74 74 ASN CA C 74 54.666 53.035 1.631 1
1 815 . 12 1 1 A 74 74 ASN CB C 74 38.301 39.458 -1.157 1
1 816 . 12 1 1 A 74 74 ASN N N 74 124.870 122.315 2.555 1
1 818 . 12 1 1 A 75 75 LYS H H 75 8.847 7.829 1.018 1
1 819 . 12 1 1 A 75 75 LYS HA H 75 4.442 4.617 -0.175 1
1 828 . 12 1 1 A 75 75 LYS CA C 75 54.327 55.364 -1.037 1
1 829 . 12 1 1 A 75 75 LYS CB C 75 30.837 33.288 -2.451 1
1 833 . 12 1 1 A 75 75 LYS N N 75 121.574 117.231 4.343 1
1 834 . 12 1 1 A 76 76 CYS H H 76 7.191 7.381 -0.190 1
1 835 . 12 1 1 A 76 76 CYS HA H 76 4.389 4.483 -0.094 1
1 838 . 12 1 1 A 76 76 CYS CA C 76 57.270 57.595 -0.325 1
1 839 . 12 1 1 A 76 76 CYS CB C 76 30.613 28.238 2.375 1
1 840 . 12 1 1 A 76 76 CYS N N 76 124.350 121.602 2.748 1
1 841 . 12 1 1 A 77 77 PRO HA H 77 4.673 4.454 0.219 1
1 848 . 12 1 1 A 77 77 PRO CA C 77 62.878 64.504 -1.626 1
1 849 . 12 1 1 A 77 77 PRO CB C 77 31.950 32.062 -0.112 1
1 852 . 12 1 1 A 78 78 VAL H H 78 8.974 7.762 1.212 1
1 853 . 12 1 1 A 78 78 VAL HA H 78 4.187 4.214 -0.027 1
1 861 . 12 1 1 A 78 78 VAL CA C 78 61.637 60.966 0.671 1
1 862 . 12 1 1 A 78 78 VAL CB C 78 31.654 32.173 -0.519 1
1 865 . 12 1 1 A 78 78 VAL N N 78 128.688 119.539 9.149 1
1 866 . 12 1 1 A 79 79 PRO HA H 79 3.938 4.232 -0.294 1
1 873 . 12 1 1 A 79 79 PRO CA C 79 63.962 65.196 -1.234 1
1 874 . 12 1 1 A 79 79 PRO CB C 79 30.887 31.929 -1.042 1
1 877 . 12 1 1 A 80 80 PHE HA H 80 4.350 4.234 0.116 1
1 884 . 12 1 1 A 80 80 PHE CA C 80 59.032 60.311 -1.279 1
1 885 . 12 1 1 A 80 80 PHE CB C 80 37.686 37.910 -0.224 1
1 888 . 12 1 1 A 81 81 CYS H H 81 7.686 8.357 -0.671 1
1 889 . 12 1 1 A 81 81 CYS HA H 81 4.001 4.162 -0.161 1
1 892 . 12 1 1 A 81 81 CYS CA C 81 64.779 62.555 2.224 1
1 893 . 12 1 1 A 81 81 CYS CB C 81 29.524 26.233 3.291 1
1 894 . 12 1 1 A 81 81 CYS N N 81 124.176 118.825 5.351 1
1 895 . 12 1 1 A 82 82 LEU H H 82 8.267 8.363 -0.096 1
1 896 . 12 1 1 A 82 82 LEU HA H 82 4.010 3.961 0.049 1
1 906 . 12 1 1 A 82 82 LEU CA C 82 58.340 58.208 0.132 1
1 907 . 12 1 1 A 82 82 LEU CB C 82 40.862 41.814 -0.952 1
1 911 . 12 1 1 A 82 82 LEU N N 82 114.980 121.113 -6.133 1
1 912 . 12 1 1 A 83 83 ASN H H 83 7.917 8.267 -0.350 1
1 913 . 12 1 1 A 83 83 ASN HA H 83 4.490 4.312 0.178 1
1 918 . 12 1 1 A 83 83 ASN CA C 83 56.061 56.919 -0.858 1
1 919 . 12 1 1 A 83 83 ASN CB C 83 38.494 38.902 -0.408 1
1 920 . 12 1 1 A 83 83 ASN N N 83 116.542 116.701 -0.159 1
1 922 . 12 1 1 A 84 84 ILE H H 84 8.788 8.227 0.561 1
1 923 . 12 1 1 A 84 84 ILE HA H 84 3.734 3.698 0.036 1
1 933 . 12 1 1 A 84 84 ILE CA C 84 65.142 65.555 -0.413 1
1 934 . 12 1 1 A 84 84 ILE CB C 84 38.039 37.760 0.279 1
1 938 . 12 1 1 A 84 84 ILE N N 84 121.747 119.483 2.264 1
1 939 . 12 1 1 A 85 85 LYS H H 85 8.954 8.514 0.440 1
1 940 . 12 1 1 A 85 85 LYS HA H 85 3.839 4.138 -0.299 1
1 949 . 12 1 1 A 85 85 LYS CA C 85 60.936 58.742 2.194 1
1 950 . 12 1 1 A 85 85 LYS CB C 85 32.041 32.022 0.019 1
1 954 . 12 1 1 A 85 85 LYS N N 85 119.665 120.410 -0.745 1
1 955 . 12 1 1 A 86 86 HIS H H 86 8.043 7.649 0.394 1
1 956 . 12 1 1 A 86 86 HIS HA H 86 4.411 4.390 0.021 1
1 960 . 12 1 1 A 86 86 HIS CA C 86 58.746 59.961 -1.215 1
1 961 . 12 1 1 A 86 86 HIS CB C 86 30.067 29.959 0.108 1
1 963 . 12 1 1 A 86 86 HIS N N 86 116.542 119.084 -2.542 1
1 964 . 12 1 1 A 87 87 LYS H H 87 7.822 7.768 0.054 1
1 965 . 12 1 1 A 87 87 LYS HA H 87 4.158 4.130 0.028 1
1 968 . 12 1 1 A 87 87 LYS CA C 87 57.879 58.449 -0.570 1
1 969 . 12 1 1 A 87 87 LYS N N 87 119.318 120.354 -1.036 1
1 970 . 12 1 1 A 88 88 LEU H H 88 8.405 8.620 -0.215 1
1 971 . 12 1 1 A 88 88 LEU HA H 88 4.194 4.036 0.158 1
1 981 . 12 1 1 A 88 88 LEU CA C 88 56.289 57.587 -1.298 1
1 982 . 12 1 1 A 88 88 LEU CB C 88 41.692 40.815 0.877 1
1 986 . 12 1 1 A 88 88 LEU N N 88 119.144 119.815 -0.671 1
1 987 . 12 1 1 A 89 89 ARG H H 89 7.826 8.498 -0.672 1
1 988 . 12 1 1 A 89 89 ARG HA H 89 4.271 4.055 0.216 1
1 995 . 12 1 1 A 89 89 ARG CA C 89 56.666 58.706 -2.040 1
1 996 . 12 1 1 A 89 89 ARG CB C 89 29.965 29.496 0.469 1
1 999 . 12 1 1 A 89 89 ARG N N 89 118.450 117.808 0.642 1
1 1000 . 12 1 1 A 90 90 GLN H H 90 7.935 7.402 0.533 1
1 1001 . 12 1 1 A 90 90 GLN HA H 90 4.270 4.241 0.029 1
1 1008 . 12 1 1 A 90 90 GLN CA C 90 55.840 58.056 -2.216 1
1 1009 . 12 1 1 A 90 90 GLN CB C 90 28.989 28.869 0.120 1
1 1011 . 12 1 1 A 90 90 GLN N N 90 119.318 117.238 2.080 1
1 1013 . 12 1 1 A 91 91 GLN H H 91 8.141 8.025 0.116 1
1 1014 . 12 1 1 A 91 91 GLN HA H 91 4.352 4.385 -0.033 1
1 1021 . 12 1 1 A 91 91 GLN CA C 91 55.581 56.512 -0.931 1
1 1022 . 12 1 1 A 91 91 GLN CB C 91 29.284 29.529 -0.245 1
1 1024 . 12 1 1 A 91 91 GLN N N 91 120.706 118.121 2.585 1
1 1043 . 12 2 2 B 2 2 SER CB C 707 63.646 61.594 2.052 1
1 1044 . 12 2 2 B 3 3 HIS HA H 708 4.663 4.284 0.379 1
1 1047 . 12 2 2 B 3 3 HIS CA C 708 56.033 58.521 -2.488 1
1 1048 . 12 2 2 B 3 3 HIS CB C 708 30.146 29.602 0.544 1
1 1053 . 12 2 2 B 5 5 SER H H 710 8.437 7.861 0.576 1
1 1054 . 12 2 2 B 5 5 SER HA H 710 4.429 4.677 -0.248 1
1 1057 . 12 2 2 B 5 5 SER CA C 710 58.340 57.738 0.602 1
1 1058 . 12 2 2 B 5 5 SER CB C 710 63.416 61.402 2.014 1
1 1059 . 12 2 2 B 5 5 SER N N 710 117.160 113.426 3.734 1
1 1060 . 12 2 2 B 6 6 GLU H H 711 8.458 8.209 0.249 1
1 1061 . 12 2 2 B 6 6 GLU HA H 711 4.311 4.124 0.187 1
1 1066 . 12 2 2 B 6 6 GLU CA C 711 56.033 58.476 -2.443 1
1 1067 . 12 2 2 B 6 6 GLU CB C 711 30.223 28.153 2.070 1
1 1069 . 12 2 2 B 6 6 GLU N N 711 123.053 121.140 1.913 1
1 1070 . 12 2 2 B 7 7 VAL H H 712 8.150 7.402 0.748 1
1 1071 . 12 2 2 B 7 7 VAL HA H 712 4.050 4.072 -0.022 1
1 1079 . 12 2 2 B 7 7 VAL CA C 712 61.801 63.823 -2.022 1
1 1080 . 12 2 2 B 7 7 VAL CB C 712 32.041 31.620 0.421 1
1 1083 . 12 2 2 B 7 7 VAL N N 712 121.173 116.660 4.513 1
1 1084 . 12 2 2 B 8 8 HIS H H 713 8.495 7.538 0.957 1
1 1085 . 12 2 2 B 8 8 HIS HA H 713 4.914 5.018 -0.104 1
1 1089 . 12 2 2 B 8 8 HIS CA C 713 53.945 53.167 0.778 1
1 1090 . 12 2 2 B 8 8 HIS CB C 713 30.218 29.418 0.800 1
1 1092 . 12 2 2 B 8 8 HIS N N 713 125.310 120.938 4.372 1
1 1093 . 12 2 2 B 9 9 PRO HA H 714 4.430 4.578 -0.148 1
1 1100 . 12 2 2 B 9 9 PRO CA C 714 63.409 62.428 0.981 1
1 1101 . 12 2 2 B 9 9 PRO CB C 714 32.018 32.764 -0.746 1
1 1104 . 12 2 2 B 10 10 SER H H 715 8.889 8.673 0.216 1
1 1105 . 12 2 2 B 10 10 SER HA H 715 4.437 3.973 0.464 1
1 1108 . 12 2 2 B 10 10 SER CA C 715 58.571 58.984 -0.413 1
1 1109 . 12 2 2 B 10 10 SER CB C 715 63.213 61.725 1.488 1
1 1110 . 12 2 2 B 10 10 SER N N 715 116.533 111.806 4.727 1
1 1111 . 12 2 2 B 11 11 ARG H H 716 8.442 8.135 0.307 1
1 1112 . 12 2 2 B 11 11 ARG HA H 716 4.388 4.480 -0.092 1
1 1119 . 12 2 2 B 11 11 ARG CA C 716 55.882 55.350 0.532 1
1 1120 . 12 2 2 B 11 11 ARG CB C 716 30.395 28.461 1.934 1
1 1123 . 12 2 2 B 11 11 ARG N N 716 122.803 119.458 3.345 1
1 1124 . 12 2 2 B 12 12 LEU H H 717 8.133 8.094 0.039 1
1 1125 . 12 2 2 B 12 12 LEU HA H 717 4.356 4.325 0.031 1
1 1135 . 12 2 2 B 12 12 LEU CA C 717 54.880 54.447 0.433 1
1 1136 . 12 2 2 B 12 12 LEU CB C 717 42.081 42.438 -0.357 1
1 1140 . 12 2 2 B 12 12 LEU N N 717 122.552 122.157 0.395 1
1 1141 . 12 2 2 B 13 13 GLN H H 718 8.440 8.803 -0.363 1
1 1142 . 12 2 2 B 13 13 GLN HA H 718 4.454 4.789 -0.335 1
1 1149 . 12 2 2 B 13 13 GLN CA C 718 55.341 54.565 0.776 1
1 1150 . 12 2 2 B 13 13 GLN CB C 718 29.285 30.060 -0.775 1
1 1152 . 12 2 2 B 13 13 GLN N N 718 121.298 119.349 1.949 1
1 1154 . 12 2 2 B 14 14 THR H H 719 8.257 8.618 -0.361 1
1 1155 . 12 2 2 B 14 14 THR HA H 719 4.438 3.983 0.455 1
1 1160 . 12 2 2 B 14 14 THR CA C 719 61.339 64.362 -3.023 1
1 1161 . 12 2 2 B 14 14 THR CB C 719 69.456 69.677 -0.221 1
1 1163 . 12 2 2 B 14 14 THR N N 719 115.154 111.570 3.584 1
1 1164 . 12 2 2 B 15 15 THR H H 720 8.240 7.952 0.288 1
1 1165 . 12 2 2 B 15 15 THR HA H 720 4.275 3.991 0.284 1
1 1170 . 12 2 2 B 15 15 THR CA C 720 61.967 62.530 -0.563 1
1 1171 . 12 2 2 B 15 15 THR CB C 720 69.183 66.743 2.440 1
1 1173 . 12 2 2 B 15 15 THR N N 720 115.029 111.805 3.224 1
1 1174 . 12 2 2 B 16 16 ASP H H 721 8.293 8.201 0.092 1
1 1175 . 12 2 2 B 16 16 ASP HA H 721 4.494 4.916 -0.422 1
1 1178 . 12 2 2 B 16 16 ASP CA C 721 54.880 53.073 1.807 1
1 1179 . 12 2 2 B 16 16 ASP CB C 721 40.891 41.934 -1.043 1
1 1180 . 12 2 2 B 16 16 ASP N N 721 122.427 118.622 3.805 1
1 1181 . 12 2 2 B 17 17 ASN H H 722 8.272 8.054 0.218 1
1 1182 . 12 2 2 B 17 17 ASN HA H 722 4.577 5.006 -0.429 1
1 1187 . 12 2 2 B 17 17 ASN CA C 722 53.330 52.103 1.227 1
1 1188 . 12 2 2 B 17 17 ASN CB C 722 38.332 39.469 -1.137 1
1 1189 . 12 2 2 B 17 17 ASN N N 722 118.916 117.986 0.930 1
1 1191 . 12 2 2 B 18 18 LEU H H 723 8.204 7.691 0.513 1
1 1192 . 12 2 2 B 18 18 LEU HA H 723 4.191 4.220 -0.029 1
1 1202 . 12 2 2 B 18 18 LEU CA C 723 54.200 56.437 -2.237 1
1 1203 . 12 2 2 B 18 18 LEU CB C 723 43.545 41.328 2.217 1
1 1207 . 12 2 2 B 18 18 LEU N N 723 121.173 119.468 1.705 1
1 1208 . 12 2 2 B 19 19 LEU H H 724 7.416 7.442 -0.026 1
1 1209 . 12 2 2 B 19 19 LEU HA H 724 4.273 4.325 -0.052 1
1 1219 . 12 2 2 B 19 19 LEU CA C 724 52.415 53.884 -1.469 1
1 1220 . 12 2 2 B 19 19 LEU CB C 724 40.471 42.195 -1.724 1
1 1224 . 12 2 2 B 19 19 LEU N N 724 117.286 121.821 -4.535 1
1 1225 . 12 2 2 B 20 20 PRO HA H 725 4.271 4.510 -0.239 1
1 1232 . 12 2 2 B 20 20 PRO CA C 725 63.877 63.958 -0.081 1
1 1233 . 12 2 2 B 20 20 PRO CB C 725 32.716 31.984 0.732 1
1 1236 . 12 2 2 B 21 21 MET H H 726 8.932 7.512 1.420 1
1 1237 . 12 2 2 B 21 21 MET HA H 726 4.841 4.799 0.042 1
1 1245 . 12 2 2 B 21 21 MET CA C 726 54.199 54.389 -0.190 1
1 1246 . 12 2 2 B 21 21 MET CB C 726 36.939 35.799 1.140 1
1 1249 . 12 2 2 B 21 21 MET N N 726 116.784 119.414 -2.630 1
1 1250 . 12 2 2 B 22 22 SER H H 727 8.956 9.162 -0.206 1
1 1251 . 12 2 2 B 22 22 SER HA H 727 4.771 4.692 0.079 1
1 1254 . 12 2 2 B 22 22 SER CA C 727 56.255 57.078 -0.823 1
1 1255 . 12 2 2 B 22 22 SER CB C 727 62.528 62.936 -0.408 1
1 1256 . 12 2 2 B 22 22 SER N N 727 119.167 120.927 -1.760 1
1 1257 . 12 2 2 B 23 23 PRO HA H 728 4.312 4.350 -0.038 1
1 1264 . 12 2 2 B 23 23 PRO CA C 728 65.953 65.728 0.225 1
1 1265 . 12 2 2 B 23 23 PRO CB C 728 31.810 31.759 0.051 1
1 1268 . 12 2 2 B 24 24 GLU H H 729 8.877 8.472 0.405 1
1 1269 . 12 2 2 B 24 24 GLU HA H 729 4.163 4.078 0.085 1
1 1274 . 12 2 2 B 24 24 GLU CA C 729 59.748 60.022 -0.274 1
1 1275 . 12 2 2 B 24 24 GLU CB C 729 28.819 28.875 -0.056 1
1 1277 . 12 2 2 B 24 24 GLU N N 729 116.283 117.648 -1.365 1
1 1278 . 12 2 2 B 25 25 GLU H H 730 7.789 8.011 -0.222 1
1 1279 . 12 2 2 B 25 25 GLU HA H 730 3.787 4.040 -0.253 1
1 1284 . 12 2 2 B 25 25 GLU CA C 730 59.266 59.090 0.176 1
1 1285 . 12 2 2 B 25 25 GLU CB C 730 29.501 29.529 -0.028 1
1 1287 . 12 2 2 B 25 25 GLU N N 730 121.298 120.493 0.805 1
1 1288 . 12 2 2 B 26 26 PHE H H 731 8.730 8.637 0.093 1
1 1289 . 12 2 2 B 26 26 PHE HA H 731 4.364 4.174 0.190 1
1 1296 . 12 2 2 B 26 26 PHE CA C 731 59.724 61.356 -1.632 1
1 1297 . 12 2 2 B 26 26 PHE CB C 731 38.230 39.480 -1.250 1
1 1300 . 12 2 2 B 26 26 PHE N N 731 119.543 121.487 -1.944 1
1 1301 . 12 2 2 B 27 27 ASP H H 732 8.587 8.635 -0.048 1
1 1302 . 12 2 2 B 27 27 ASP HA H 732 4.097 4.213 -0.116 1
1 1305 . 12 2 2 B 27 27 ASP CA C 732 57.256 57.683 -0.427 1
1 1306 . 12 2 2 B 27 27 ASP CB C 732 40.421 41.332 -0.911 1
1 1307 . 12 2 2 B 27 27 ASP N N 732 121.549 118.711 2.838 1
1 1308 . 12 2 2 B 28 28 GLU H H 733 7.383 7.927 -0.544 1
1 1309 . 12 2 2 B 28 28 GLU HA H 733 4.155 4.083 0.072 1
1 1314 . 12 2 2 B 28 28 GLU CA C 733 58.749 58.944 -0.195 1
1 1315 . 12 2 2 B 28 28 GLU CB C 733 28.933 29.446 -0.513 1
1 1317 . 12 2 2 B 28 28 GLU N N 733 119.793 119.661 0.132 1
1 1318 . 12 2 2 B 29 29 VAL H H 734 8.246 7.928 0.318 1
1 1319 . 12 2 2 B 29 29 VAL HA H 734 3.595 3.453 0.142 1
1 1327 . 12 2 2 B 29 29 VAL CA C 734 66.219 66.220 -0.001 1
1 1328 . 12 2 2 B 29 29 VAL CB C 734 31.362 31.513 -0.151 1
1 1331 . 12 2 2 B 29 29 VAL N N 734 118.540 120.822 -2.282 1
1 1332 . 12 2 2 B 30 30 SER H H 735 8.384 8.235 0.149 1
1 1333 . 12 2 2 B 30 30 SER HA H 735 3.912 3.803 0.109 1
1 1336 . 12 2 2 B 30 30 SER CA C 735 61.703 62.328 -0.625 1
1 1337 . 12 2 2 B 30 30 SER CB C 735 62.059 62.509 -0.450 1
1 1338 . 12 2 2 B 30 30 SER N N 735 115.154 114.845 0.309 1
1 1339 . 12 2 2 B 31 31 ARG H H 736 7.683 8.096 -0.413 1
1 1340 . 12 2 2 B 31 31 ARG HA H 736 4.027 4.064 -0.037 1
1 1348 . 12 2 2 B 31 31 ARG CA C 736 58.571 58.571 0.000 1
1 1349 . 12 2 2 B 31 31 ARG CB C 736 30.068 29.821 0.247 1
1 1352 . 12 2 2 B 31 31 ARG N N 736 121.549 120.922 0.627 1
1 1354 . 12 2 2 B 32 32 ILE H H 737 7.703 7.227 0.476 1
1 1355 . 12 2 2 B 32 32 ILE HA H 737 3.859 3.910 -0.051 1
1 1365 . 12 2 2 B 32 32 ILE CA C 737 63.445 64.009 -0.564 1
1 1366 . 12 2 2 B 32 32 ILE CB C 737 38.332 38.061 0.271 1
1 1370 . 12 2 2 B 32 32 ILE N N 737 119.167 119.931 -0.764 1
1 1371 . 12 2 2 B 33 33 VAL H H 738 8.293 7.875 0.418 1
1 1372 . 12 2 2 B 33 33 VAL HA H 738 3.901 3.731 0.170 1
1 1380 . 12 2 2 B 33 33 VAL CA C 738 63.805 65.378 -1.573 1
1 1381 . 12 2 2 B 33 33 VAL CB C 738 32.408 31.658 0.750 1
1 1384 . 12 2 2 B 33 33 VAL N N 738 116.157 119.777 -3.620 1
1 1385 . 12 2 2 B 34 34 GLY H H 739 7.868 7.827 0.041 1
1 1386 . 12 2 2 B 34 34 GLY HA2 H 739 3.813 3.805 0.008 1
1 1387 . 12 2 2 B 34 34 GLY HA3 H 739 4.120 3.833 0.287 1
1 1388 . 12 2 2 B 34 34 GLY CA C 739 44.831 46.723 -1.892 1
1 1389 . 12 2 2 B 34 34 GLY N N 739 108.258 110.451 -2.193 1
1 1390 . 12 2 2 B 35 35 SER H H 740 8.366 8.140 0.226 1
1 1391 . 12 2 2 B 35 35 SER HA H 740 4.389 3.900 0.489 1
1 1394 . 12 2 2 B 35 35 SER CA C 740 58.261 59.172 -0.911 1
1 1395 . 12 2 2 B 35 35 SER CB C 740 62.663 61.693 0.970 1
1 1396 . 12 2 2 B 35 35 SER N N 740 116.408 108.508 7.900 1
1 1397 . 12 2 2 B 36 36 VAL H H 741 7.897 7.475 0.422 1
1 1398 . 12 2 2 B 36 36 VAL HA H 741 4.054 3.719 0.335 1
1 1406 . 12 2 2 B 36 36 VAL CA C 741 61.737 66.021 -4.284 1
1 1407 . 12 2 2 B 36 36 VAL CB C 741 33.084 32.001 1.083 1
1 1410 . 12 2 2 B 36 36 VAL N N 741 122.928 120.056 2.872 1
1 1411 . 12 2 2 B 37 37 GLU H H 742 8.468 7.978 0.490 1
1 1412 . 12 2 2 B 37 37 GLU HA H 742 4.306 4.672 -0.366 1
1 1417 . 12 2 2 B 37 37 GLU CA C 742 55.803 56.000 -0.197 1
1 1418 . 12 2 2 B 37 37 GLU CB C 742 29.029 31.177 -2.148 1
1 1420 . 12 2 2 B 37 37 GLU N N 742 124.057 119.641 4.416 1
1 1421 . 12 2 2 B 38 38 PHE H H 743 8.222 7.898 0.324 1
1 1422 . 12 2 2 B 38 38 PHE HA H 743 4.360 4.063 0.297 1
1 1429 . 12 2 2 B 38 38 PHE CA C 743 59.263 61.680 -2.417 1
1 1430 . 12 2 2 B 38 38 PHE CB C 743 39.524 39.421 0.103 1
1 1433 . 12 2 2 B 38 38 PHE N N 743 122.427 121.718 0.709 1
1 1434 . 12 2 2 B 39 39 ASP H H 744 8.602 8.918 -0.316 1
1 1435 . 12 2 2 B 39 39 ASP HA H 744 4.380 4.395 -0.015 1
1 1438 . 12 2 2 B 39 39 ASP CA C 744 56.495 55.144 1.351 1
1 1439 . 12 2 2 B 39 39 ASP CB C 744 40.119 39.512 0.607 1
1 1440 . 12 2 2 B 39 39 ASP N N 744 120.044 117.699 2.345 1
1 1441 . 12 2 2 B 40 40 SER H H 745 8.143 8.232 -0.089 1
1 1442 . 12 2 2 B 40 40 SER HA H 745 4.328 4.755 -0.427 1
1 1445 . 12 2 2 B 40 40 SER CA C 745 59.724 57.170 2.554 1
1 1446 . 12 2 2 B 40 40 SER CB C 745 62.723 63.964 -1.241 1
1 1447 . 12 2 2 B 40 40 SER N N 745 114.527 115.378 -0.851 1
1 1448 . 12 2 2 B 41 41 MET H H 746 7.930 7.696 0.234 1
1 1449 . 12 2 2 B 41 41 MET HA H 746 4.374 4.135 0.239 1
1 1457 . 12 2 2 B 41 41 MET CA C 746 56.244 58.205 -1.961 1
1 1458 . 12 2 2 B 41 41 MET CB C 746 32.502 31.648 0.854 1
1 1461 . 12 2 2 B 41 41 MET N N 746 120.044 120.722 -0.678 1
1 1462 . 12 2 2 B 42 42 MET H H 747 7.784 7.927 -0.143 1
1 1463 . 12 2 2 B 42 42 MET HA H 747 4.232 4.491 -0.259 1
1 1471 . 12 2 2 B 42 42 MET CA C 747 55.830 55.499 0.331 1
1 1472 . 12 2 2 B 42 42 MET CB C 747 32.502 31.858 0.644 1
1 1475 . 12 2 2 B 42 42 MET N N 747 117.035 115.695 1.340 1
1 1476 . 12 2 2 B 43 43 ASN H H 748 7.960 7.601 0.359 1
1 1477 . 12 2 2 B 43 43 ASN HA H 748 4.831 4.696 0.135 1
1 1482 . 12 2 2 B 43 43 ASN CA C 748 53.146 53.264 -0.118 1
1 1483 . 12 2 2 B 43 43 ASN CB C 748 38.795 39.581 -0.786 1
1 1484 . 12 2 2 B 43 43 ASN N N 748 117.537 119.328 -1.791 1
1 1486 . 12 2 2 B 44 44 THR H H 749 8.039 8.847 -0.808 1
1 1487 . 12 2 2 B 44 44 THR HA H 749 4.432 4.505 -0.073 1
1 1492 . 12 2 2 B 44 44 THR CA C 749 61.570 62.900 -1.330 1
1 1493 . 12 2 2 B 44 44 THR CB C 749 69.644 72.381 -2.737 1
1 1495 . 12 2 2 B 44 44 THR N N 749 114.026 117.946 -3.920 1
1 6 . 13 1 1 A 2 2 PRO HA H 2 4.396 4.295 0.101 1
1 13 . 13 1 1 A 2 2 PRO CA C 2 65.107 66.117 -1.010 1
1 14 . 13 1 1 A 2 2 PRO CB C 2 31.810 31.327 0.483 1
1 17 . 13 1 1 A 3 3 GLN H H 3 8.509 8.363 0.146 1
1 18 . 13 1 1 A 3 3 GLN HA H 3 3.962 4.023 -0.061 1
1 25 . 13 1 1 A 3 3 GLN CA C 3 59.223 59.030 0.193 1
1 26 . 13 1 1 A 3 3 GLN CB C 3 28.119 27.939 0.180 1
1 28 . 13 1 1 A 3 3 GLN N N 3 117.064 117.846 -0.782 1
1 30 . 13 1 1 A 4 4 GLU H H 4 7.950 8.433 -0.483 1
1 31 . 13 1 1 A 4 4 GLU HA H 4 4.105 4.049 0.056 1
1 36 . 13 1 1 A 4 4 GLU CA C 4 58.778 59.337 -0.559 1
1 37 . 13 1 1 A 4 4 GLU CB C 4 29.734 29.174 0.560 1
1 39 . 13 1 1 A 4 4 GLU N N 4 121.574 121.186 0.388 1
1 40 . 13 1 1 A 5 5 SER H H 5 8.511 7.977 0.534 1
1 41 . 13 1 1 A 5 5 SER HA H 5 4.238 4.082 0.156 1
1 44 . 13 1 1 A 5 5 SER CA C 5 61.377 61.500 -0.123 1
1 45 . 13 1 1 A 5 5 SER CB C 5 62.351 62.894 -0.543 1
1 46 . 13 1 1 A 5 5 SER N N 5 115.674 115.974 -0.300 1
1 47 . 13 1 1 A 6 6 ARG H H 6 8.276 7.612 0.664 1
1 48 . 13 1 1 A 6 6 ARG HA H 6 4.324 4.099 0.225 1
1 55 . 13 1 1 A 6 6 ARG CA C 6 58.988 59.332 -0.344 1
1 56 . 13 1 1 A 6 6 ARG CB C 6 30.426 29.993 0.433 1
1 59 . 13 1 1 A 6 6 ARG N N 6 122.441 121.985 0.456 1
1 60 . 13 1 1 A 7 7 ARG H H 7 8.015 7.647 0.368 1
1 61 . 13 1 1 A 7 7 ARG HA H 7 3.955 4.157 -0.202 1
1 68 . 13 1 1 A 7 7 ARG CA C 7 59.724 58.875 0.849 1
1 69 . 13 1 1 A 7 7 ARG CB C 7 29.965 30.022 -0.057 1
1 72 . 13 1 1 A 7 7 ARG N N 7 119.491 119.579 -0.088 1
1 73 . 13 1 1 A 8 8 LEU H H 8 8.158 8.581 -0.423 1
1 74 . 13 1 1 A 8 8 LEU HA H 8 4.161 4.144 0.017 1
1 84 . 13 1 1 A 8 8 LEU CA C 8 57.686 57.627 0.059 1
1 85 . 13 1 1 A 8 8 LEU CB C 8 41.312 41.325 -0.013 1
1 89 . 13 1 1 A 8 8 LEU N N 8 120.359 119.966 0.393 1
1 90 . 13 1 1 A 9 9 SER H H 9 8.090 7.919 0.171 1
1 91 . 13 1 1 A 9 9 SER HA H 9 4.292 4.047 0.245 1
1 94 . 13 1 1 A 9 9 SER CA C 9 61.570 62.421 -0.851 1
1 95 . 13 1 1 A 9 9 SER CB C 9 62.493 63.148 -0.655 1
1 96 . 13 1 1 A 9 9 SER N N 9 116.178 114.300 1.878 1
1 97 . 13 1 1 A 10 10 ILE H H 10 8.396 7.595 0.801 1
1 98 . 13 1 1 A 10 10 ILE HA H 10 3.505 3.584 -0.079 1
1 108 . 13 1 1 A 10 10 ILE CA C 10 65.608 64.971 0.637 1
1 109 . 13 1 1 A 10 10 ILE CB C 10 37.706 37.250 0.456 1
1 113 . 13 1 1 A 10 10 ILE N N 10 122.840 121.344 1.496 1
1 114 . 13 1 1 A 11 11 GLN H H 11 8.142 8.261 -0.119 1
1 115 . 13 1 1 A 11 11 GLN HA H 11 4.032 3.987 0.045 1
1 122 . 13 1 1 A 11 11 GLN CA C 11 59.060 59.212 -0.152 1
1 123 . 13 1 1 A 11 11 GLN CB C 11 27.888 28.411 -0.523 1
1 125 . 13 1 1 A 11 11 GLN N N 11 119.144 118.881 0.263 1
1 127 . 13 1 1 A 12 12 ARG H H 12 8.330 7.953 0.377 1
1 128 . 13 1 1 A 12 12 ARG HA H 12 4.179 4.056 0.123 1
1 135 . 13 1 1 A 12 12 ARG CA C 12 59.494 58.701 0.793 1
1 136 . 13 1 1 A 12 12 ARG CB C 12 29.734 30.276 -0.542 1
1 138 . 13 1 1 A 12 12 ARG N N 12 120.186 117.562 2.624 1
1 139 . 13 1 1 A 13 13 CYS H H 13 8.242 7.871 0.371 1
1 140 . 13 1 1 A 13 13 CYS HA H 13 4.231 4.122 0.109 1
1 143 . 13 1 1 A 13 13 CYS CA C 13 63.289 63.752 -0.463 1
1 144 . 13 1 1 A 13 13 CYS CB C 13 26.505 27.226 -0.721 1
1 145 . 13 1 1 A 13 13 CYS N N 13 121.574 117.718 3.856 1
1 146 . 13 1 1 A 14 14 ILE H H 14 8.493 7.839 0.654 1
1 147 . 13 1 1 A 14 14 ILE HA H 14 3.787 3.555 0.232 1
1 157 . 13 1 1 A 14 14 ILE CA C 14 64.269 65.299 -1.030 1
1 158 . 13 1 1 A 14 14 ILE CB C 14 36.597 37.717 -1.120 1
1 162 . 13 1 1 A 14 14 ILE N N 14 120.012 120.725 -0.713 1
1 163 . 13 1 1 A 15 15 GLN H H 15 8.468 8.171 0.297 1
1 164 . 13 1 1 A 15 15 GLN HA H 15 4.107 4.006 0.101 1
1 171 . 13 1 1 A 15 15 GLN CA C 15 58.969 59.020 -0.051 1
1 172 . 13 1 1 A 15 15 GLN CB C 15 27.843 28.659 -0.816 1
1 174 . 13 1 1 A 15 15 GLN N N 15 119.665 118.849 0.816 1
1 176 . 13 1 1 A 16 16 SER H H 16 8.409 7.983 0.426 1
1 177 . 13 1 1 A 16 16 SER HA H 16 4.424 4.093 0.331 1
1 180 . 13 1 1 A 16 16 SER CA C 16 61.726 62.496 -0.770 1
1 181 . 13 1 1 A 16 16 SER CB C 16 62.564 63.021 -0.457 1
1 182 . 13 1 1 A 16 16 SER N N 16 117.062 116.082 0.980 1
1 183 . 13 1 1 A 17 17 LEU H H 17 8.235 8.200 0.035 1
1 184 . 13 1 1 A 17 17 LEU HA H 17 4.103 4.072 0.031 1
1 194 . 13 1 1 A 17 17 LEU CA C 17 58.340 57.845 0.495 1
1 195 . 13 1 1 A 17 17 LEU CB C 17 41.961 41.642 0.319 1
1 199 . 13 1 1 A 17 17 LEU N N 17 125.564 122.865 2.699 1
1 200 . 13 1 1 A 18 18 VAL H H 18 8.603 8.147 0.456 1
1 201 . 13 1 1 A 18 18 VAL HA H 18 3.261 3.556 -0.295 1
1 209 . 13 1 1 A 18 18 VAL CA C 18 67.097 66.520 0.577 1
1 210 . 13 1 1 A 18 18 VAL CB C 18 31.589 31.515 0.074 1
1 213 . 13 1 1 A 18 18 VAL N N 18 119.665 118.832 0.833 1
1 214 . 13 1 1 A 19 19 HIS H H 19 8.083 8.251 -0.168 1
1 215 . 13 1 1 A 19 19 HIS HA H 19 4.231 4.180 0.051 1
1 219 . 13 1 1 A 19 19 HIS CA C 19 59.641 60.179 -0.538 1
1 220 . 13 1 1 A 19 19 HIS CB C 19 26.966 29.627 -2.661 1
1 222 . 13 1 1 A 19 19 HIS N N 19 116.094 119.322 -3.228 1
1 223 . 13 1 1 A 20 20 ALA H H 20 8.796 8.456 0.340 1
1 224 . 13 1 1 A 20 20 ALA HA H 20 4.308 3.988 0.320 1
1 228 . 13 1 1 A 20 20 ALA CA C 20 55.341 55.168 0.173 1
1 229 . 13 1 1 A 20 20 ALA CB C 20 20.026 18.236 1.790 1
1 230 . 13 1 1 A 20 20 ALA N N 20 121.747 120.421 1.326 1
1 231 . 13 1 1 A 21 21 CYS H H 21 7.909 7.949 -0.040 1
1 232 . 13 1 1 A 21 21 CYS HA H 21 4.294 4.217 0.077 1
1 235 . 13 1 1 A 21 21 CYS CA C 21 61.665 61.028 0.637 1
1 236 . 13 1 1 A 21 21 CYS CB C 21 26.764 26.996 -0.232 1
1 237 . 13 1 1 A 21 21 CYS N N 21 111.875 115.696 -3.821 1
1 238 . 13 1 1 A 22 22 GLN H H 22 7.357 7.802 -0.445 1
1 239 . 13 1 1 A 22 22 GLN HA H 22 4.531 4.417 0.114 1
1 246 . 13 1 1 A 22 22 GLN CA C 22 54.445 55.754 -1.309 1
1 247 . 13 1 1 A 22 22 GLN CB C 22 30.608 30.868 -0.260 1
1 249 . 13 1 1 A 22 22 GLN N N 22 116.021 117.146 -1.125 1
1 251 . 13 1 1 A 23 23 CYS H H 23 7.229 7.492 -0.263 1
1 252 . 13 1 1 A 23 23 CYS HA H 23 3.947 4.321 -0.374 1
1 255 . 13 1 1 A 23 23 CYS CA C 23 59.996 59.314 0.682 1
1 256 . 13 1 1 A 23 23 CYS CB C 23 29.000 28.610 0.390 1
1 257 . 13 1 1 A 23 23 CYS N N 23 124.350 119.054 5.296 1
1 258 . 13 1 1 A 24 24 ARG H H 24 8.966 8.751 0.215 1
1 259 . 13 1 1 A 24 24 ARG HA H 24 4.590 4.615 -0.025 1
1 266 . 13 1 1 A 24 24 ARG CA C 24 54.306 56.008 -1.702 1
1 267 . 13 1 1 A 24 24 ARG CB C 24 29.771 32.392 -2.621 1
1 270 . 13 1 1 A 24 24 ARG N N 24 129.729 122.930 6.799 1
1 271 . 13 1 1 A 25 25 ASN H H 25 7.823 7.019 0.804 1
1 272 . 13 1 1 A 25 25 ASN HA H 25 4.853 4.652 0.201 1
1 277 . 13 1 1 A 25 25 ASN CA C 25 51.372 53.608 -2.236 1
1 278 . 13 1 1 A 25 25 ASN CB C 25 38.727 38.912 -0.185 1
1 279 . 13 1 1 A 25 25 ASN N N 25 120.186 118.109 2.077 1
1 281 . 13 1 1 A 26 26 ALA H H 26 9.248 8.653 0.595 1
1 282 . 13 1 1 A 26 26 ALA HA H 26 4.091 4.106 -0.015 1
1 286 . 13 1 1 A 26 26 ALA CA C 26 54.027 54.786 -0.759 1
1 287 . 13 1 1 A 26 26 ALA CB C 26 18.209 18.998 -0.789 1
1 288 . 13 1 1 A 26 26 ALA N N 26 130.423 124.422 6.001 1
1 289 . 13 1 1 A 27 27 ASN H H 27 8.085 8.067 0.018 1
1 290 . 13 1 1 A 27 27 ASN HA H 27 4.834 5.025 -0.191 1
1 295 . 13 1 1 A 27 27 ASN CA C 27 51.625 52.059 -0.434 1
1 296 . 13 1 1 A 27 27 ASN CB C 27 38.577 39.275 -0.698 1
1 297 . 13 1 1 A 27 27 ASN N N 27 113.766 115.496 -1.730 1
1 299 . 13 1 1 A 28 28 CYS H H 28 7.209 8.549 -1.340 1
1 300 . 13 1 1 A 28 28 CYS HA H 28 4.053 4.424 -0.371 1
1 303 . 13 1 1 A 28 28 CYS CA C 28 61.312 59.423 1.889 1
1 304 . 13 1 1 A 28 28 CYS CB C 28 29.674 29.203 0.471 1
1 305 . 13 1 1 A 28 28 CYS N N 28 123.309 123.586 -0.277 1
1 306 . 13 1 1 A 29 29 SER H H 29 8.922 8.516 0.406 1
1 307 . 13 1 1 A 29 29 SER HA H 29 4.609 4.205 0.404 1
1 310 . 13 1 1 A 29 29 SER CA C 29 57.450 60.919 -3.469 1
1 311 . 13 1 1 A 29 29 SER CB C 29 63.604 63.091 0.513 1
1 312 . 13 1 1 A 29 29 SER N N 29 124.870 118.559 6.311 1
1 313 . 13 1 1 A 30 30 LEU H H 30 8.513 7.557 0.956 1
1 314 . 13 1 1 A 30 30 LEU HA H 30 4.497 4.396 0.101 1
1 324 . 13 1 1 A 30 30 LEU CA C 30 53.980 52.957 1.023 1
1 325 . 13 1 1 A 30 30 LEU CB C 30 40.643 41.741 -1.098 1
1 329 . 13 1 1 A 30 30 LEU N N 30 128.341 124.694 3.647 1
1 330 . 13 1 1 A 31 31 PRO HA H 31 4.329 4.298 0.031 1
1 337 . 13 1 1 A 31 31 PRO CA C 31 65.026 64.635 0.391 1
1 338 . 13 1 1 A 31 31 PRO CB C 31 31.580 32.117 -0.537 1
1 341 . 13 1 1 A 32 32 SER H H 32 8.537 8.123 0.414 1
1 342 . 13 1 1 A 32 32 SER HA H 32 4.287 4.207 0.080 1
1 345 . 13 1 1 A 32 32 SER CA C 32 60.277 61.306 -1.029 1
1 346 . 13 1 1 A 32 32 SER CB C 32 62.277 62.579 -0.302 1
1 347 . 13 1 1 A 32 32 SER N N 32 112.551 111.951 0.600 1
1 348 . 13 1 1 A 33 33 CYS H H 33 7.523 8.086 -0.563 1
1 349 . 13 1 1 A 33 33 CYS HA H 33 4.170 3.929 0.241 1
1 352 . 13 1 1 A 33 33 CYS CA C 33 63.408 62.808 0.600 1
1 353 . 13 1 1 A 33 33 CYS CB C 33 29.503 26.576 2.927 1
1 354 . 13 1 1 A 33 33 CYS N N 33 126.085 120.569 5.516 1
1 355 . 13 1 1 A 34 34 GLN H H 34 8.102 7.867 0.235 1
1 356 . 13 1 1 A 34 34 GLN HA H 34 3.963 4.037 -0.074 1
1 359 . 13 1 1 A 34 34 GLN N N 34 115.711 119.341 -3.630 1
1 361 . 13 1 1 A 35 35 LYS H H 35 8.093 7.722 0.371 1
1 362 . 13 1 1 A 35 35 LYS HA H 35 3.994 4.154 -0.160 1
1 371 . 13 1 1 A 35 35 LYS CA C 35 59.502 58.725 0.777 1
1 372 . 13 1 1 A 35 35 LYS CB C 35 32.273 32.641 -0.368 1
1 376 . 13 1 1 A 35 35 LYS N N 35 117.930 120.577 -2.647 1
1 377 . 13 1 1 A 36 36 MET H H 36 8.237 8.642 -0.405 1
1 378 . 13 1 1 A 36 36 MET HA H 36 4.488 4.083 0.405 1
1 386 . 13 1 1 A 36 36 MET CA C 36 56.725 59.298 -2.573 1
1 387 . 13 1 1 A 36 36 MET CB C 36 30.954 32.731 -1.777 1
1 390 . 13 1 1 A 36 36 MET N N 36 117.062 118.510 -1.448 1
1 391 . 13 1 1 A 37 37 LYS H H 37 9.107 8.034 1.073 1
1 392 . 13 1 1 A 37 37 LYS HA H 37 3.900 4.009 -0.109 1
1 401 . 13 1 1 A 37 37 LYS CA C 37 61.097 60.008 1.089 1
1 402 . 13 1 1 A 37 37 LYS CB C 37 32.947 32.234 0.713 1
1 406 . 13 1 1 A 37 37 LYS N N 37 120.186 119.080 1.106 1
1 407 . 13 1 1 A 38 38 ARG H H 38 7.781 7.966 -0.185 1
1 408 . 13 1 1 A 38 38 ARG HA H 38 4.127 4.095 0.032 1
1 413 . 13 1 1 A 38 38 ARG CA C 38 59.263 59.289 -0.026 1
1 414 . 13 1 1 A 38 38 ARG CB C 38 29.965 30.094 -0.129 1
1 416 . 13 1 1 A 38 38 ARG N N 38 118.971 119.692 -0.721 1
1 417 . 13 1 1 A 39 39 VAL H H 39 8.289 7.980 0.309 1
1 418 . 13 1 1 A 39 39 VAL HA H 39 3.539 3.708 -0.169 1
1 426 . 13 1 1 A 39 39 VAL CA C 39 66.989 66.512 0.477 1
1 427 . 13 1 1 A 39 39 VAL CB C 39 31.451 31.710 -0.259 1
1 430 . 13 1 1 A 39 39 VAL N N 39 123.829 120.123 3.706 1
1 431 . 13 1 1 A 40 40 VAL H H 40 8.318 8.392 -0.074 1
1 432 . 13 1 1 A 40 40 VAL HA H 40 3.528 3.797 -0.269 1
1 440 . 13 1 1 A 40 40 VAL CA C 40 67.050 65.276 1.774 1
1 441 . 13 1 1 A 40 40 VAL CB C 40 31.608 31.278 0.330 1
1 444 . 13 1 1 A 40 40 VAL N N 40 119.665 120.418 -0.753 1
1 445 . 13 1 1 A 41 41 GLN H H 41 8.263 8.233 0.030 1
1 446 . 13 1 1 A 41 41 GLN HA H 41 3.974 3.918 0.056 1
1 453 . 13 1 1 A 41 41 GLN CA C 41 58.571 59.317 -0.746 1
1 454 . 13 1 1 A 41 41 GLN CB C 41 28.018 28.339 -0.321 1
1 456 . 13 1 1 A 41 41 GLN N N 41 118.450 121.861 -3.411 1
1 458 . 13 1 1 A 42 42 HIS H H 42 8.309 8.082 0.227 1
1 459 . 13 1 1 A 42 42 HIS HA H 42 4.215 4.361 -0.146 1
1 463 . 13 1 1 A 42 42 HIS CA C 42 59.402 59.436 -0.034 1
1 464 . 13 1 1 A 42 42 HIS CB C 42 26.966 30.652 -3.686 1
1 466 . 13 1 1 A 42 42 HIS N N 42 118.971 120.116 -1.145 1
1 467 . 13 1 1 A 43 43 THR H H 43 8.056 8.205 -0.149 1
1 468 . 13 1 1 A 43 43 THR HA H 43 3.929 3.861 0.068 1
1 474 . 13 1 1 A 43 43 THR CA C 43 66.101 67.233 -1.132 1
1 475 . 13 1 1 A 43 43 THR CB C 43 69.107 68.276 0.831 1
1 477 . 13 1 1 A 43 43 THR N N 43 114.320 113.649 0.671 1
1 478 . 13 1 1 A 44 44 LYS H H 44 7.531 8.034 -0.503 1
1 479 . 13 1 1 A 44 44 LYS HA H 44 4.085 4.132 -0.047 1
1 488 . 13 1 1 A 44 44 LYS CA C 44 58.682 58.919 -0.237 1
1 489 . 13 1 1 A 44 44 LYS CB C 44 32.024 32.485 -0.461 1
1 493 . 13 1 1 A 44 44 LYS N N 44 120.012 119.631 0.381 1
1 494 . 13 1 1 A 45 45 GLY H H 45 7.143 7.679 -0.536 1
1 495 . 13 1 1 A 45 45 GLY HA2 H 45 3.625 4.009 -0.384 1
1 496 . 13 1 1 A 45 45 GLY HA3 H 45 4.387 4.032 0.355 1
1 497 . 13 1 1 A 45 45 GLY CA C 45 44.289 45.253 -0.964 1
1 498 . 13 1 1 A 45 45 GLY N N 45 103.528 106.885 -3.357 1
1 499 . 13 1 1 A 46 46 CYS H H 46 6.988 7.238 -0.250 1
1 500 . 13 1 1 A 46 46 CYS HA H 46 3.955 4.370 -0.415 1
1 503 . 13 1 1 A 46 46 CYS CA C 46 60.654 59.267 1.387 1
1 504 . 13 1 1 A 46 46 CYS CB C 46 29.793 28.386 1.407 1
1 505 . 13 1 1 A 46 46 CYS N N 46 123.656 120.310 3.346 1
1 506 . 13 1 1 A 47 47 LYS H H 47 9.060 8.905 0.155 1
1 507 . 13 1 1 A 47 47 LYS HA H 47 4.489 4.579 -0.090 1
1 516 . 13 1 1 A 47 47 LYS CA C 47 56.127 56.188 -0.061 1
1 517 . 13 1 1 A 47 47 LYS CB C 47 32.393 32.744 -0.351 1
1 521 . 13 1 1 A 47 47 LYS N N 47 127.820 126.760 1.060 1
1 522 . 13 1 1 A 48 48 ARG H H 48 8.537 7.546 0.991 1
1 523 . 13 1 1 A 48 48 ARG HA H 48 4.330 4.520 -0.190 1
1 530 . 13 1 1 A 48 48 ARG CA C 48 57.648 55.415 2.233 1
1 531 . 13 1 1 A 48 48 ARG CB C 48 31.810 31.001 0.809 1
1 534 . 13 1 1 A 48 48 ARG N N 48 122.615 116.850 5.765 1
1 535 . 13 1 1 A 49 49 LYS H H 49 8.522 7.196 1.326 1
1 536 . 13 1 1 A 49 49 LYS HA H 49 4.554 4.374 0.180 1
1 545 . 13 1 1 A 49 49 LYS CA C 49 57.417 56.862 0.555 1
1 546 . 13 1 1 A 49 49 LYS CB C 49 31.543 32.684 -1.141 1
1 550 . 13 1 1 A 49 49 LYS N N 49 117.583 118.095 -0.512 1
1 551 . 13 1 1 A 50 50 THR H H 50 7.992 8.979 -0.987 1
1 552 . 13 1 1 A 50 50 THR HA H 50 4.127 4.257 -0.130 1
1 557 . 13 1 1 A 50 50 THR CA C 50 63.985 65.417 -1.432 1
1 558 . 13 1 1 A 50 50 THR CB C 50 68.157 68.439 -0.282 1
1 560 . 13 1 1 A 50 50 THR N N 50 113.245 115.698 -2.453 1
1 561 . 13 1 1 A 51 51 ASN H H 51 8.888 8.575 0.313 1
1 562 . 13 1 1 A 51 51 ASN HA H 51 4.665 4.450 0.215 1
1 567 . 13 1 1 A 51 51 ASN CA C 51 54.159 56.176 -2.017 1
1 568 . 13 1 1 A 51 51 ASN CB C 51 37.857 38.558 -0.701 1
1 570 . 13 1 1 A 52 52 GLY H H 52 7.972 8.269 -0.297 1
1 571 . 13 1 1 A 52 52 GLY HA2 H 52 3.893 3.804 0.089 1
1 572 . 13 1 1 A 52 52 GLY HA3 H 52 4.101 3.807 0.294 1
1 573 . 13 1 1 A 52 52 GLY CA C 52 45.368 46.451 -1.083 1
1 574 . 13 1 1 A 52 52 GLY N N 52 106.651 106.205 0.446 1
1 575 . 13 1 1 A 53 53 GLY H H 53 7.765 7.665 0.100 1
1 576 . 13 1 1 A 53 53 GLY HA2 H 53 3.837 4.047 -0.210 1
1 577 . 13 1 1 A 53 53 GLY HA3 H 53 4.079 4.049 0.030 1
1 578 . 13 1 1 A 53 53 GLY CA C 53 45.227 45.259 -0.032 1
1 579 . 13 1 1 A 53 53 GLY N N 53 107.519 106.573 0.946 1
1 580 . 13 1 1 A 54 54 CYS H H 54 8.099 8.004 0.095 1
1 581 . 13 1 1 A 54 54 CYS HA H 54 4.720 4.527 0.193 1
1 584 . 13 1 1 A 54 54 CYS CA C 54 55.572 57.482 -1.910 1
1 585 . 13 1 1 A 54 54 CYS CB C 54 30.216 28.745 1.471 1
1 586 . 13 1 1 A 54 54 CYS N N 54 122.615 120.116 2.499 1
1 587 . 13 1 1 A 55 55 PRO HA H 55 4.237 4.465 -0.228 1
1 594 . 13 1 1 A 55 55 PRO CA C 55 64.757 63.889 0.868 1
1 595 . 13 1 1 A 55 55 PRO CB C 55 32.311 32.049 0.262 1
1 598 . 13 1 1 A 56 56 VAL H H 56 7.645 6.683 0.962 1
1 599 . 13 1 1 A 56 56 VAL HA H 56 3.384 3.705 -0.321 1
1 607 . 13 1 1 A 56 56 VAL CA C 56 66.184 65.963 0.221 1
1 608 . 13 1 1 A 56 56 VAL CB C 56 32.502 31.559 0.943 1
1 611 . 13 1 1 A 56 56 VAL N N 56 121.227 116.657 4.570 1
1 612 . 13 1 1 A 57 57 CYS H H 57 8.565 7.703 0.862 1
1 613 . 13 1 1 A 57 57 CYS HA H 57 4.034 4.127 -0.093 1
1 616 . 13 1 1 A 57 57 CYS CA C 57 65.746 63.472 2.274 1
1 617 . 13 1 1 A 57 57 CYS CB C 57 29.273 27.117 2.156 1
1 618 . 13 1 1 A 57 57 CYS N N 57 122.615 117.832 4.783 1
1 619 . 13 1 1 A 58 58 LYS H H 58 7.956 8.111 -0.155 1
1 620 . 13 1 1 A 58 58 LYS HA H 58 3.874 3.828 0.046 1
1 629 . 13 1 1 A 58 58 LYS CA C 58 59.955 59.404 0.551 1
1 630 . 13 1 1 A 58 58 LYS CB C 58 32.272 32.199 0.073 1
1 634 . 13 1 1 A 58 58 LYS N N 58 116.889 121.090 -4.201 1
1 635 . 13 1 1 A 59 59 GLN H H 59 7.359 7.702 -0.343 1
1 636 . 13 1 1 A 59 59 GLN HA H 59 3.789 4.057 -0.268 1
1 643 . 13 1 1 A 59 59 GLN CA C 59 60.647 58.650 1.997 1
1 644 . 13 1 1 A 59 59 GLN CB C 59 27.196 28.166 -0.970 1
1 646 . 13 1 1 A 59 59 GLN N N 59 116.889 118.642 -1.753 1
1 648 . 13 1 1 A 60 60 LEU H H 60 8.303 7.774 0.529 1
1 649 . 13 1 1 A 60 60 LEU HA H 60 4.093 3.971 0.122 1
1 659 . 13 1 1 A 60 60 LEU CA C 60 58.110 57.955 0.155 1
1 660 . 13 1 1 A 60 60 LEU CB C 60 40.807 41.725 -0.918 1
1 664 . 13 1 1 A 60 60 LEU N N 60 118.103 119.131 -1.028 1
1 665 . 13 1 1 A 61 61 ILE H H 61 8.804 7.876 0.928 1
1 666 . 13 1 1 A 61 61 ILE HA H 61 3.801 3.383 0.418 1
1 676 . 13 1 1 A 61 61 ILE CA C 61 63.416 65.527 -2.111 1
1 677 . 13 1 1 A 61 61 ILE CB C 61 36.886 37.561 -0.675 1
1 681 . 13 1 1 A 61 61 ILE N N 61 118.624 118.857 -0.233 1
1 682 . 13 1 1 A 62 62 ALA H H 62 7.796 7.789 0.007 1
1 683 . 13 1 1 A 62 62 ALA HA H 62 4.058 4.128 -0.070 1
1 687 . 13 1 1 A 62 62 ALA CA C 62 56.030 55.355 0.675 1
1 688 . 13 1 1 A 62 62 ALA CB C 62 18.068 18.392 -0.324 1
1 689 . 13 1 1 A 62 62 ALA N N 62 124.003 122.754 1.249 1
1 690 . 13 1 1 A 63 63 LEU H H 63 8.011 7.658 0.353 1
1 691 . 13 1 1 A 63 63 LEU HA H 63 4.077 4.100 -0.023 1
1 701 . 13 1 1 A 63 63 LEU CA C 63 58.110 57.828 0.282 1
1 702 . 13 1 1 A 63 63 LEU CB C 63 42.116 41.409 0.707 1
1 706 . 13 1 1 A 63 63 LEU N N 63 117.583 119.453 -1.870 1
1 707 . 13 1 1 A 64 64 CYS H H 64 8.818 8.599 0.219 1
1 708 . 13 1 1 A 64 64 CYS HA H 64 4.053 4.259 -0.206 1
1 711 . 13 1 1 A 64 64 CYS CA C 64 64.800 62.921 1.879 1
1 712 . 13 1 1 A 64 64 CYS CB C 64 26.504 26.847 -0.343 1
1 713 . 13 1 1 A 64 64 CYS N N 64 118.277 117.114 1.163 1
1 714 . 13 1 1 A 65 65 CYS H H 65 8.793 8.638 0.155 1
1 715 . 13 1 1 A 65 65 CYS HA H 65 4.258 4.123 0.135 1
1 718 . 13 1 1 A 65 65 CYS CA C 65 63.646 63.881 -0.235 1
1 719 . 13 1 1 A 65 65 CYS CB C 65 26.966 26.612 0.354 1
1 720 . 13 1 1 A 65 65 CYS N N 65 118.971 119.356 -0.385 1
1 721 . 13 1 1 A 66 66 TYR H H 66 8.369 8.457 -0.088 1
1 722 . 13 1 1 A 66 66 TYR HA H 66 4.034 4.234 -0.200 1
1 729 . 13 1 1 A 66 66 TYR CA C 66 60.886 61.813 -0.927 1
1 730 . 13 1 1 A 66 66 TYR CB C 66 37.808 38.414 -0.606 1
1 733 . 13 1 1 A 66 66 TYR N N 66 121.574 122.503 -0.929 1
1 734 . 13 1 1 A 67 67 HIS H H 67 8.633 7.772 0.861 1
1 735 . 13 1 1 A 67 67 HIS HA H 67 4.318 4.275 0.043 1
1 740 . 13 1 1 A 67 67 HIS CA C 67 58.998 60.077 -1.079 1
1 741 . 13 1 1 A 67 67 HIS CB C 67 27.409 30.212 -2.803 1
1 744 . 13 1 1 A 67 67 HIS N N 67 117.409 118.784 -1.375 1
1 745 . 13 1 1 A 68 68 ALA H H 68 8.725 8.807 -0.082 1
1 746 . 13 1 1 A 68 68 ALA HA H 68 4.019 3.919 0.100 1
1 750 . 13 1 1 A 68 68 ALA CA C 68 54.690 55.328 -0.638 1
1 751 . 13 1 1 A 68 68 ALA CB C 68 19.964 18.443 1.521 1
1 752 . 13 1 1 A 68 68 ALA N N 68 122.094 120.957 1.137 1
1 753 . 13 1 1 A 69 69 LYS H H 69 7.362 8.081 -0.719 1
1 754 . 13 1 1 A 69 69 LYS HA H 69 3.736 3.954 -0.218 1
1 763 . 13 1 1 A 69 69 LYS CA C 69 58.137 59.266 -1.129 1
1 764 . 13 1 1 A 69 69 LYS CB C 69 32.224 32.185 0.039 1
1 768 . 13 1 1 A 69 69 LYS N N 69 114.807 117.910 -3.103 1
1 769 . 13 1 1 A 70 70 HIS H H 70 7.011 7.609 -0.598 1
1 770 . 13 1 1 A 70 70 HIS HA H 70 4.697 4.388 0.309 1
1 774 . 13 1 1 A 70 70 HIS CA C 70 54.835 57.835 -3.000 1
1 775 . 13 1 1 A 70 70 HIS CB C 70 30.477 31.001 -0.524 1
1 777 . 13 1 1 A 70 70 HIS N N 70 112.898 113.654 -0.756 1
1 778 . 13 1 1 A 71 71 CYS H H 71 7.012 7.299 -0.287 1
1 779 . 13 1 1 A 71 71 CYS HA H 71 4.032 4.238 -0.206 1
1 782 . 13 1 1 A 71 71 CYS CA C 71 59.948 59.947 0.001 1
1 783 . 13 1 1 A 71 71 CYS CB C 71 29.752 27.938 1.814 1
1 784 . 13 1 1 A 71 71 CYS N N 71 123.829 118.138 5.691 1
1 785 . 13 1 1 A 72 72 GLN H H 72 9.181 8.965 0.216 1
1 786 . 13 1 1 A 72 72 GLN HA H 72 4.674 4.548 0.126 1
1 793 . 13 1 1 A 72 72 GLN CA C 72 54.224 55.546 -1.322 1
1 794 . 13 1 1 A 72 72 GLN CB C 72 29.049 30.340 -1.291 1
1 796 . 13 1 1 A 72 72 GLN N N 72 128.341 122.494 5.847 1
1 798 . 13 1 1 A 73 73 GLU H H 73 8.396 7.644 0.752 1
1 799 . 13 1 1 A 73 73 GLU HA H 73 4.389 4.793 -0.404 1
1 804 . 13 1 1 A 73 73 GLU CA C 73 55.341 55.051 0.290 1
1 805 . 13 1 1 A 73 73 GLU CB C 73 30.239 31.810 -1.571 1
1 807 . 13 1 1 A 73 73 GLU N N 73 123.309 117.006 6.303 1
1 808 . 13 1 1 A 74 74 ASN H H 74 8.921 8.904 0.017 1
1 809 . 13 1 1 A 74 74 ASN HA H 74 4.538 4.936 -0.398 1
1 814 . 13 1 1 A 74 74 ASN CA C 74 54.666 54.547 0.119 1
1 815 . 13 1 1 A 74 74 ASN CB C 74 38.301 38.589 -0.288 1
1 816 . 13 1 1 A 74 74 ASN N N 74 124.870 120.934 3.936 1
1 818 . 13 1 1 A 75 75 LYS H H 75 8.847 7.831 1.016 1
1 819 . 13 1 1 A 75 75 LYS HA H 75 4.442 4.574 -0.132 1
1 828 . 13 1 1 A 75 75 LYS CA C 75 54.327 55.459 -1.132 1
1 829 . 13 1 1 A 75 75 LYS CB C 75 30.837 33.240 -2.403 1
1 833 . 13 1 1 A 75 75 LYS N N 75 121.574 116.806 4.768 1
1 834 . 13 1 1 A 76 76 CYS H H 76 7.191 7.418 -0.227 1
1 835 . 13 1 1 A 76 76 CYS HA H 76 4.389 4.479 -0.090 1
1 838 . 13 1 1 A 76 76 CYS CA C 76 57.270 57.586 -0.316 1
1 839 . 13 1 1 A 76 76 CYS CB C 76 30.613 28.243 2.370 1
1 840 . 13 1 1 A 76 76 CYS N N 76 124.350 121.746 2.604 1
1 841 . 13 1 1 A 77 77 PRO HA H 77 4.673 4.459 0.214 1
1 848 . 13 1 1 A 77 77 PRO CA C 77 62.878 64.305 -1.427 1
1 849 . 13 1 1 A 77 77 PRO CB C 77 31.950 32.004 -0.054 1
1 852 . 13 1 1 A 78 78 VAL H H 78 8.974 7.768 1.206 1
1 853 . 13 1 1 A 78 78 VAL HA H 78 4.187 4.177 0.010 1
1 861 . 13 1 1 A 78 78 VAL CA C 78 61.637 61.015 0.622 1
1 862 . 13 1 1 A 78 78 VAL CB C 78 31.654 32.254 -0.600 1
1 865 . 13 1 1 A 78 78 VAL N N 78 128.688 119.749 8.939 1
1 866 . 13 1 1 A 79 79 PRO HA H 79 3.938 4.230 -0.292 1
1 873 . 13 1 1 A 79 79 PRO CA C 79 63.962 65.090 -1.128 1
1 874 . 13 1 1 A 79 79 PRO CB C 79 30.887 31.923 -1.036 1
1 877 . 13 1 1 A 80 80 PHE HA H 80 4.350 4.208 0.142 1
1 884 . 13 1 1 A 80 80 PHE CA C 80 59.032 60.409 -1.377 1
1 885 . 13 1 1 A 80 80 PHE CB C 80 37.686 37.886 -0.200 1
1 888 . 13 1 1 A 81 81 CYS H H 81 7.686 8.249 -0.563 1
1 889 . 13 1 1 A 81 81 CYS HA H 81 4.001 4.060 -0.059 1
1 892 . 13 1 1 A 81 81 CYS CA C 81 64.779 62.544 2.235 1
1 893 . 13 1 1 A 81 81 CYS CB C 81 29.524 26.121 3.403 1
1 894 . 13 1 1 A 81 81 CYS N N 81 124.176 118.686 5.490 1
1 895 . 13 1 1 A 82 82 LEU H H 82 8.267 8.192 0.075 1
1 896 . 13 1 1 A 82 82 LEU HA H 82 4.010 3.637 0.373 1
1 906 . 13 1 1 A 82 82 LEU CA C 82 58.340 58.010 0.330 1
1 907 . 13 1 1 A 82 82 LEU CB C 82 40.862 41.685 -0.823 1
1 911 . 13 1 1 A 82 82 LEU N N 82 114.980 121.559 -6.579 1
1 912 . 13 1 1 A 83 83 ASN H H 83 7.917 8.326 -0.409 1
1 913 . 13 1 1 A 83 83 ASN HA H 83 4.490 4.380 0.110 1
1 918 . 13 1 1 A 83 83 ASN CA C 83 56.061 56.488 -0.427 1
1 919 . 13 1 1 A 83 83 ASN CB C 83 38.494 38.090 0.404 1
1 920 . 13 1 1 A 83 83 ASN N N 83 116.542 115.791 0.751 1
1 922 . 13 1 1 A 84 84 ILE H H 84 8.788 8.184 0.604 1
1 923 . 13 1 1 A 84 84 ILE HA H 84 3.734 3.757 -0.023 1
1 933 . 13 1 1 A 84 84 ILE CA C 84 65.142 64.983 0.159 1
1 934 . 13 1 1 A 84 84 ILE CB C 84 38.039 38.005 0.034 1
1 938 . 13 1 1 A 84 84 ILE N N 84 121.747 120.201 1.546 1
1 939 . 13 1 1 A 85 85 LYS H H 85 8.954 8.468 0.486 1
1 940 . 13 1 1 A 85 85 LYS HA H 85 3.839 4.114 -0.275 1
1 949 . 13 1 1 A 85 85 LYS CA C 85 60.936 58.813 2.123 1
1 950 . 13 1 1 A 85 85 LYS CB C 85 32.041 32.114 -0.073 1
1 954 . 13 1 1 A 85 85 LYS N N 85 119.665 120.529 -0.864 1
1 955 . 13 1 1 A 86 86 HIS H H 86 8.043 8.165 -0.122 1
1 956 . 13 1 1 A 86 86 HIS HA H 86 4.411 4.309 0.102 1
1 960 . 13 1 1 A 86 86 HIS CA C 86 58.746 59.500 -0.754 1
1 961 . 13 1 1 A 86 86 HIS CB C 86 30.067 29.836 0.231 1
1 963 . 13 1 1 A 86 86 HIS N N 86 116.542 119.106 -2.564 1
1 964 . 13 1 1 A 87 87 LYS H H 87 7.822 8.092 -0.270 1
1 965 . 13 1 1 A 87 87 LYS HA H 87 4.158 4.007 0.151 1
1 968 . 13 1 1 A 87 87 LYS CA C 87 57.879 59.415 -1.536 1
1 969 . 13 1 1 A 87 87 LYS N N 87 119.318 121.073 -1.755 1
1 970 . 13 1 1 A 88 88 LEU H H 88 8.405 8.595 -0.190 1
1 971 . 13 1 1 A 88 88 LEU HA H 88 4.194 3.954 0.240 1
1 981 . 13 1 1 A 88 88 LEU CA C 88 56.289 57.996 -1.707 1
1 982 . 13 1 1 A 88 88 LEU CB C 88 41.692 41.312 0.380 1
1 986 . 13 1 1 A 88 88 LEU N N 88 119.144 119.400 -0.256 1
1 987 . 13 1 1 A 89 89 ARG H H 89 7.826 8.526 -0.700 1
1 988 . 13 1 1 A 89 89 ARG HA H 89 4.271 3.917 0.354 1
1 995 . 13 1 1 A 89 89 ARG CA C 89 56.666 59.791 -3.125 1
1 996 . 13 1 1 A 89 89 ARG CB C 89 29.965 29.889 0.076 1
1 999 . 13 1 1 A 89 89 ARG N N 89 118.450 118.618 -0.168 1
1 1000 . 13 1 1 A 90 90 GLN H H 90 7.935 7.959 -0.024 1
1 1001 . 13 1 1 A 90 90 GLN HA H 90 4.270 4.155 0.115 1
1 1008 . 13 1 1 A 90 90 GLN CA C 90 55.840 58.497 -2.657 1
1 1009 . 13 1 1 A 90 90 GLN CB C 90 28.989 27.861 1.128 1
1 1011 . 13 1 1 A 90 90 GLN N N 90 119.318 118.867 0.451 1
1 1013 . 13 1 1 A 91 91 GLN H H 91 8.141 7.582 0.559 1
1 1014 . 13 1 1 A 91 91 GLN HA H 91 4.352 4.203 0.149 1
1 1021 . 13 1 1 A 91 91 GLN CA C 91 55.581 58.027 -2.446 1
1 1022 . 13 1 1 A 91 91 GLN CB C 91 29.284 28.107 1.177 1
1 1024 . 13 1 1 A 91 91 GLN N N 91 120.706 118.571 2.135 1
1 1043 . 13 2 2 B 2 2 SER CB C 707 63.646 65.244 -1.598 1
1 1044 . 13 2 2 B 3 3 HIS HA H 708 4.663 5.167 -0.504 1
1 1047 . 13 2 2 B 3 3 HIS CA C 708 56.033 54.761 1.272 1
1 1048 . 13 2 2 B 3 3 HIS CB C 708 30.146 33.853 -3.707 1
1 1053 . 13 2 2 B 5 5 SER H H 710 8.437 8.146 0.291 1
1 1054 . 13 2 2 B 5 5 SER HA H 710 4.429 4.794 -0.365 1
1 1057 . 13 2 2 B 5 5 SER CA C 710 58.340 57.202 1.138 1
1 1058 . 13 2 2 B 5 5 SER CB C 710 63.416 64.540 -1.124 1
1 1059 . 13 2 2 B 5 5 SER N N 710 117.160 115.777 1.383 1
1 1060 . 13 2 2 B 6 6 GLU H H 711 8.458 8.368 0.090 1
1 1061 . 13 2 2 B 6 6 GLU HA H 711 4.311 4.175 0.136 1
1 1066 . 13 2 2 B 6 6 GLU CA C 711 56.033 57.560 -1.527 1
1 1067 . 13 2 2 B 6 6 GLU CB C 711 30.223 28.603 1.620 1
1 1069 . 13 2 2 B 6 6 GLU N N 711 123.053 119.596 3.457 1
1 1070 . 13 2 2 B 7 7 VAL H H 712 8.150 7.812 0.338 1
1 1071 . 13 2 2 B 7 7 VAL HA H 712 4.050 3.970 0.080 1
1 1079 . 13 2 2 B 7 7 VAL CA C 712 61.801 64.042 -2.241 1
1 1080 . 13 2 2 B 7 7 VAL CB C 712 32.041 31.581 0.460 1
1 1083 . 13 2 2 B 7 7 VAL N N 712 121.173 118.480 2.693 1
1 1084 . 13 2 2 B 8 8 HIS H H 713 8.495 7.603 0.892 1
1 1085 . 13 2 2 B 8 8 HIS HA H 713 4.914 4.915 -0.001 1
1 1089 . 13 2 2 B 8 8 HIS CA C 713 53.945 54.196 -0.251 1
1 1090 . 13 2 2 B 8 8 HIS CB C 713 30.218 30.904 -0.686 1
1 1092 . 13 2 2 B 8 8 HIS N N 713 125.310 116.693 8.617 1
1 1093 . 13 2 2 B 9 9 PRO HA H 714 4.430 4.544 -0.114 1
1 1100 . 13 2 2 B 9 9 PRO CA C 714 63.409 62.308 1.101 1
1 1101 . 13 2 2 B 9 9 PRO CB C 714 32.018 33.132 -1.114 1
1 1104 . 13 2 2 B 10 10 SER H H 715 8.889 8.485 0.404 1
1 1105 . 13 2 2 B 10 10 SER HA H 715 4.437 4.669 -0.232 1
1 1108 . 13 2 2 B 10 10 SER CA C 715 58.571 58.117 0.454 1
1 1109 . 13 2 2 B 10 10 SER CB C 715 63.213 63.741 -0.528 1
1 1110 . 13 2 2 B 10 10 SER N N 715 116.533 116.897 -0.364 1
1 1111 . 13 2 2 B 11 11 ARG H H 716 8.442 8.714 -0.272 1
1 1112 . 13 2 2 B 11 11 ARG HA H 716 4.388 5.150 -0.762 1
1 1119 . 13 2 2 B 11 11 ARG CA C 716 55.882 54.651 1.231 1
1 1120 . 13 2 2 B 11 11 ARG CB C 716 30.395 34.412 -4.017 1
1 1123 . 13 2 2 B 11 11 ARG N N 716 122.803 122.511 0.292 1
1 1124 . 13 2 2 B 12 12 LEU H H 717 8.133 8.752 -0.619 1
1 1125 . 13 2 2 B 12 12 LEU HA H 717 4.356 4.863 -0.507 1
1 1135 . 13 2 2 B 12 12 LEU CA C 717 54.880 53.739 1.141 1
1 1136 . 13 2 2 B 12 12 LEU CB C 717 42.081 46.531 -4.450 1
1 1140 . 13 2 2 B 12 12 LEU N N 717 122.552 121.262 1.290 1
1 1141 . 13 2 2 B 13 13 GLN H H 718 8.440 8.637 -0.197 1
1 1142 . 13 2 2 B 13 13 GLN HA H 718 4.454 4.965 -0.511 1
1 1149 . 13 2 2 B 13 13 GLN CA C 718 55.341 54.146 1.195 1
1 1150 . 13 2 2 B 13 13 GLN CB C 718 29.285 33.321 -4.036 1
1 1152 . 13 2 2 B 13 13 GLN N N 718 121.298 121.402 -0.104 1
1 1154 . 13 2 2 B 14 14 THR H H 719 8.257 8.335 -0.078 1
1 1155 . 13 2 2 B 14 14 THR HA H 719 4.438 4.568 -0.130 1
1 1160 . 13 2 2 B 14 14 THR CA C 719 61.339 61.638 -0.299 1
1 1161 . 13 2 2 B 14 14 THR CB C 719 69.456 70.720 -1.264 1
1 1163 . 13 2 2 B 14 14 THR N N 719 115.154 112.655 2.499 1
1 1164 . 13 2 2 B 15 15 THR H H 720 8.240 8.552 -0.312 1
1 1165 . 13 2 2 B 15 15 THR HA H 720 4.275 4.168 0.107 1
1 1170 . 13 2 2 B 15 15 THR CA C 720 61.967 64.748 -2.781 1
1 1171 . 13 2 2 B 15 15 THR CB C 720 69.183 68.507 0.676 1
1 1173 . 13 2 2 B 15 15 THR N N 720 115.029 114.783 0.246 1
1 1174 . 13 2 2 B 16 16 ASP H H 721 8.293 9.012 -0.719 1
1 1175 . 13 2 2 B 16 16 ASP HA H 721 4.494 4.399 0.095 1
1 1178 . 13 2 2 B 16 16 ASP CA C 721 54.880 55.023 -0.143 1
1 1179 . 13 2 2 B 16 16 ASP CB C 721 40.891 39.356 1.535 1
1 1180 . 13 2 2 B 16 16 ASP N N 721 122.427 121.752 0.675 1
1 1181 . 13 2 2 B 17 17 ASN H H 722 8.272 7.511 0.761 1
1 1182 . 13 2 2 B 17 17 ASN HA H 722 4.577 4.902 -0.325 1
1 1187 . 13 2 2 B 17 17 ASN CA C 722 53.330 53.076 0.254 1
1 1188 . 13 2 2 B 17 17 ASN CB C 722 38.332 39.798 -1.466 1
1 1189 . 13 2 2 B 17 17 ASN N N 722 118.916 117.394 1.522 1
1 1191 . 13 2 2 B 18 18 LEU H H 723 8.204 7.581 0.623 1
1 1192 . 13 2 2 B 18 18 LEU HA H 723 4.191 4.192 -0.001 1
1 1202 . 13 2 2 B 18 18 LEU CA C 723 54.200 57.189 -2.989 1
1 1203 . 13 2 2 B 18 18 LEU CB C 723 43.545 41.449 2.096 1
1 1207 . 13 2 2 B 18 18 LEU N N 723 121.173 118.859 2.314 1
1 1208 . 13 2 2 B 19 19 LEU H H 724 7.416 7.462 -0.046 1
1 1209 . 13 2 2 B 19 19 LEU HA H 724 4.273 4.325 -0.052 1
1 1219 . 13 2 2 B 19 19 LEU CA C 724 52.415 53.904 -1.489 1
1 1220 . 13 2 2 B 19 19 LEU CB C 724 40.471 42.172 -1.701 1
1 1224 . 13 2 2 B 19 19 LEU N N 724 117.286 121.663 -4.377 1
1 1225 . 13 2 2 B 20 20 PRO HA H 725 4.271 4.493 -0.222 1
1 1232 . 13 2 2 B 20 20 PRO CA C 725 63.877 64.119 -0.242 1
1 1233 . 13 2 2 B 20 20 PRO CB C 725 32.716 31.853 0.863 1
1 1236 . 13 2 2 B 21 21 MET H H 726 8.932 7.596 1.336 1
1 1237 . 13 2 2 B 21 21 MET HA H 726 4.841 4.817 0.024 1
1 1245 . 13 2 2 B 21 21 MET CA C 726 54.199 54.405 -0.206 1
1 1246 . 13 2 2 B 21 21 MET CB C 726 36.939 36.247 0.692 1
1 1249 . 13 2 2 B 21 21 MET N N 726 116.784 118.950 -2.166 1
1 1250 . 13 2 2 B 22 22 SER H H 727 8.956 8.687 0.269 1
1 1251 . 13 2 2 B 22 22 SER HA H 727 4.771 4.999 -0.228 1
1 1254 . 13 2 2 B 22 22 SER CA C 727 56.255 56.585 -0.330 1
1 1255 . 13 2 2 B 22 22 SER CB C 727 62.528 63.387 -0.859 1
1 1256 . 13 2 2 B 22 22 SER N N 727 119.167 116.958 2.209 1
1 1257 . 13 2 2 B 23 23 PRO HA H 728 4.312 4.367 -0.055 1
1 1264 . 13 2 2 B 23 23 PRO CA C 728 65.953 65.874 0.079 1
1 1265 . 13 2 2 B 23 23 PRO CB C 728 31.810 31.804 0.006 1
1 1268 . 13 2 2 B 24 24 GLU H H 729 8.877 8.424 0.453 1
1 1269 . 13 2 2 B 24 24 GLU HA H 729 4.163 4.091 0.072 1
1 1274 . 13 2 2 B 24 24 GLU CA C 729 59.748 60.110 -0.362 1
1 1275 . 13 2 2 B 24 24 GLU CB C 729 28.819 28.886 -0.067 1
1 1277 . 13 2 2 B 24 24 GLU N N 729 116.283 117.647 -1.364 1
1 1278 . 13 2 2 B 25 25 GLU H H 730 7.789 7.806 -0.017 1
1 1279 . 13 2 2 B 25 25 GLU HA H 730 3.787 4.045 -0.258 1
1 1284 . 13 2 2 B 25 25 GLU CA C 730 59.266 59.120 0.146 1
1 1285 . 13 2 2 B 25 25 GLU CB C 730 29.501 29.586 -0.085 1
1 1287 . 13 2 2 B 25 25 GLU N N 730 121.298 120.714 0.584 1
1 1288 . 13 2 2 B 26 26 PHE H H 731 8.730 8.581 0.149 1
1 1289 . 13 2 2 B 26 26 PHE HA H 731 4.364 4.185 0.179 1
1 1296 . 13 2 2 B 26 26 PHE CA C 731 59.724 61.282 -1.558 1
1 1297 . 13 2 2 B 26 26 PHE CB C 731 38.230 39.345 -1.115 1
1 1300 . 13 2 2 B 26 26 PHE N N 731 119.543 121.422 -1.879 1
1 1301 . 13 2 2 B 27 27 ASP H H 732 8.587 8.583 0.004 1
1 1302 . 13 2 2 B 27 27 ASP HA H 732 4.097 4.300 -0.203 1
1 1305 . 13 2 2 B 27 27 ASP CA C 732 57.256 57.899 -0.643 1
1 1306 . 13 2 2 B 27 27 ASP CB C 732 40.421 41.621 -1.200 1
1 1307 . 13 2 2 B 27 27 ASP N N 732 121.549 118.652 2.897 1
1 1308 . 13 2 2 B 28 28 GLU H H 733 7.383 7.807 -0.424 1
1 1309 . 13 2 2 B 28 28 GLU HA H 733 4.155 4.089 0.066 1
1 1314 . 13 2 2 B 28 28 GLU CA C 733 58.749 58.855 -0.106 1
1 1315 . 13 2 2 B 28 28 GLU CB C 733 28.933 29.416 -0.483 1
1 1317 . 13 2 2 B 28 28 GLU N N 733 119.793 119.627 0.166 1
1 1318 . 13 2 2 B 29 29 VAL H H 734 8.246 7.797 0.449 1
1 1319 . 13 2 2 B 29 29 VAL HA H 734 3.595 3.464 0.131 1
1 1327 . 13 2 2 B 29 29 VAL CA C 734 66.219 66.324 -0.105 1
1 1328 . 13 2 2 B 29 29 VAL CB C 734 31.362 31.542 -0.180 1
1 1331 . 13 2 2 B 29 29 VAL N N 734 118.540 121.021 -2.481 1
1 1332 . 13 2 2 B 30 30 SER H H 735 8.384 8.216 0.168 1
1 1333 . 13 2 2 B 30 30 SER HA H 735 3.912 3.678 0.234 1
1 1336 . 13 2 2 B 30 30 SER CA C 735 61.703 61.165 0.538 1
1 1337 . 13 2 2 B 30 30 SER CB C 735 62.059 62.634 -0.575 1
1 1338 . 13 2 2 B 30 30 SER N N 735 115.154 114.804 0.350 1
1 1339 . 13 2 2 B 31 31 ARG H H 736 7.683 8.066 -0.383 1
1 1340 . 13 2 2 B 31 31 ARG HA H 736 4.027 4.080 -0.053 1
1 1348 . 13 2 2 B 31 31 ARG CA C 736 58.571 58.470 0.101 1
1 1349 . 13 2 2 B 31 31 ARG CB C 736 30.068 29.835 0.233 1
1 1352 . 13 2 2 B 31 31 ARG N N 736 121.549 120.882 0.667 1
1 1354 . 13 2 2 B 32 32 ILE H H 737 7.703 7.312 0.391 1
1 1355 . 13 2 2 B 32 32 ILE HA H 737 3.859 3.902 -0.043 1
1 1365 . 13 2 2 B 32 32 ILE CA C 737 63.445 63.876 -0.431 1
1 1366 . 13 2 2 B 32 32 ILE CB C 737 38.332 37.933 0.399 1
1 1370 . 13 2 2 B 32 32 ILE N N 737 119.167 119.751 -0.584 1
1 1371 . 13 2 2 B 33 33 VAL H H 738 8.293 7.793 0.500 1
1 1372 . 13 2 2 B 33 33 VAL HA H 738 3.901 3.762 0.139 1
1 1380 . 13 2 2 B 33 33 VAL CA C 738 63.805 65.372 -1.567 1
1 1381 . 13 2 2 B 33 33 VAL CB C 738 32.408 31.695 0.713 1
1 1384 . 13 2 2 B 33 33 VAL N N 738 116.157 119.688 -3.531 1
1 1385 . 13 2 2 B 34 34 GLY H H 739 7.868 7.891 -0.023 1
1 1386 . 13 2 2 B 34 34 GLY HA2 H 739 3.813 3.825 -0.012 1
1 1387 . 13 2 2 B 34 34 GLY HA3 H 739 4.120 3.851 0.269 1
1 1388 . 13 2 2 B 34 34 GLY CA C 739 44.831 46.659 -1.828 1
1 1389 . 13 2 2 B 34 34 GLY N N 739 108.258 110.492 -2.234 1
1 1390 . 13 2 2 B 35 35 SER H H 740 8.366 8.132 0.234 1
1 1391 . 13 2 2 B 35 35 SER HA H 740 4.389 3.830 0.559 1
1 1394 . 13 2 2 B 35 35 SER CA C 740 58.261 59.126 -0.865 1
1 1395 . 13 2 2 B 35 35 SER CB C 740 62.663 61.634 1.029 1
1 1396 . 13 2 2 B 35 35 SER N N 740 116.408 108.526 7.882 1
1 1397 . 13 2 2 B 36 36 VAL H H 741 7.897 7.584 0.313 1
1 1398 . 13 2 2 B 36 36 VAL HA H 741 4.054 3.780 0.274 1
1 1406 . 13 2 2 B 36 36 VAL CA C 741 61.737 66.376 -4.639 1
1 1407 . 13 2 2 B 36 36 VAL CB C 741 33.084 32.057 1.027 1
1 1410 . 13 2 2 B 36 36 VAL N N 741 122.928 119.791 3.137 1
1 1411 . 13 2 2 B 37 37 GLU H H 742 8.468 8.111 0.357 1
1 1412 . 13 2 2 B 37 37 GLU HA H 742 4.306 4.687 -0.381 1
1 1417 . 13 2 2 B 37 37 GLU CA C 742 55.803 55.888 -0.085 1
1 1418 . 13 2 2 B 37 37 GLU CB C 742 29.029 30.944 -1.915 1
1 1420 . 13 2 2 B 37 37 GLU N N 742 124.057 119.338 4.719 1
1 1421 . 13 2 2 B 38 38 PHE H H 743 8.222 7.706 0.516 1
1 1422 . 13 2 2 B 38 38 PHE HA H 743 4.360 4.065 0.295 1
1 1429 . 13 2 2 B 38 38 PHE CA C 743 59.263 61.791 -2.528 1
1 1430 . 13 2 2 B 38 38 PHE CB C 743 39.524 39.413 0.111 1
1 1433 . 13 2 2 B 38 38 PHE N N 743 122.427 121.718 0.709 1
1 1434 . 13 2 2 B 39 39 ASP H H 744 8.602 8.841 -0.239 1
1 1435 . 13 2 2 B 39 39 ASP HA H 744 4.380 4.369 0.011 1
1 1438 . 13 2 2 B 39 39 ASP CA C 744 56.495 55.342 1.153 1
1 1439 . 13 2 2 B 39 39 ASP CB C 744 40.119 39.467 0.652 1
1 1440 . 13 2 2 B 39 39 ASP N N 744 120.044 117.490 2.554 1
1 1441 . 13 2 2 B 40 40 SER H H 745 8.143 7.884 0.259 1
1 1442 . 13 2 2 B 40 40 SER HA H 745 4.328 4.780 -0.452 1
1 1445 . 13 2 2 B 40 40 SER CA C 745 59.724 57.817 1.907 1
1 1446 . 13 2 2 B 40 40 SER CB C 745 62.723 63.973 -1.250 1
1 1447 . 13 2 2 B 40 40 SER N N 745 114.527 114.851 -0.324 1
1 1448 . 13 2 2 B 41 41 MET H H 746 7.930 7.633 0.297 1
1 1449 . 13 2 2 B 41 41 MET HA H 746 4.374 4.316 0.058 1
1 1457 . 13 2 2 B 41 41 MET CA C 746 56.244 57.214 -0.970 1
1 1458 . 13 2 2 B 41 41 MET CB C 746 32.502 31.228 1.274 1
1 1461 . 13 2 2 B 41 41 MET N N 746 120.044 121.038 -0.994 1
1 1462 . 13 2 2 B 42 42 MET H H 747 7.784 8.070 -0.286 1
1 1463 . 13 2 2 B 42 42 MET HA H 747 4.232 4.340 -0.108 1
1 1471 . 13 2 2 B 42 42 MET CA C 747 55.830 57.136 -1.306 1
1 1472 . 13 2 2 B 42 42 MET CB C 747 32.502 31.749 0.753 1
1 1475 . 13 2 2 B 42 42 MET N N 747 117.035 116.322 0.713 1
1 1476 . 13 2 2 B 43 43 ASN H H 748 7.960 7.632 0.328 1
1 1477 . 13 2 2 B 43 43 ASN HA H 748 4.831 5.088 -0.257 1
1 1482 . 13 2 2 B 43 43 ASN CA C 748 53.146 51.833 1.313 1
1 1483 . 13 2 2 B 43 43 ASN CB C 748 38.795 40.855 -2.060 1
1 1484 . 13 2 2 B 43 43 ASN N N 748 117.537 117.601 -0.064 1
1 1486 . 13 2 2 B 44 44 THR H H 749 8.039 8.563 -0.524 1
1 1487 . 13 2 2 B 44 44 THR HA H 749 4.432 3.989 0.443 1
1 1492 . 13 2 2 B 44 44 THR CA C 749 61.570 65.639 -4.069 1
1 1493 . 13 2 2 B 44 44 THR CB C 749 69.644 68.620 1.024 1
1 1495 . 13 2 2 B 44 44 THR N N 749 114.026 116.662 -2.636 1
1 6 . 14 1 1 A 2 2 PRO HA H 2 4.396 4.304 0.092 1
1 13 . 14 1 1 A 2 2 PRO CA C 2 65.107 66.113 -1.006 1
1 14 . 14 1 1 A 2 2 PRO CB C 2 31.810 31.320 0.490 1
1 17 . 14 1 1 A 3 3 GLN H H 3 8.509 8.354 0.155 1
1 18 . 14 1 1 A 3 3 GLN HA H 3 3.962 4.042 -0.080 1
1 25 . 14 1 1 A 3 3 GLN CA C 3 59.223 58.791 0.432 1
1 26 . 14 1 1 A 3 3 GLN CB C 3 28.119 27.922 0.197 1
1 28 . 14 1 1 A 3 3 GLN N N 3 117.064 117.832 -0.768 1
1 30 . 14 1 1 A 4 4 GLU H H 4 7.950 8.308 -0.358 1
1 31 . 14 1 1 A 4 4 GLU HA H 4 4.105 4.011 0.094 1
1 36 . 14 1 1 A 4 4 GLU CA C 4 58.778 59.075 -0.297 1
1 37 . 14 1 1 A 4 4 GLU CB C 4 29.734 29.301 0.433 1
1 39 . 14 1 1 A 4 4 GLU N N 4 121.574 121.088 0.486 1
1 40 . 14 1 1 A 5 5 SER H H 5 8.511 8.072 0.439 1
1 41 . 14 1 1 A 5 5 SER HA H 5 4.238 4.049 0.189 1
1 44 . 14 1 1 A 5 5 SER CA C 5 61.377 61.561 -0.184 1
1 45 . 14 1 1 A 5 5 SER CB C 5 62.351 62.932 -0.581 1
1 46 . 14 1 1 A 5 5 SER N N 5 115.674 116.313 -0.639 1
1 47 . 14 1 1 A 6 6 ARG H H 6 8.276 8.120 0.156 1
1 48 . 14 1 1 A 6 6 ARG HA H 6 4.324 4.053 0.271 1
1 55 . 14 1 1 A 6 6 ARG CA C 6 58.988 59.403 -0.415 1
1 56 . 14 1 1 A 6 6 ARG CB C 6 30.426 30.120 0.306 1
1 59 . 14 1 1 A 6 6 ARG N N 6 122.441 121.784 0.657 1
1 60 . 14 1 1 A 7 7 ARG H H 7 8.015 8.008 0.007 1
1 61 . 14 1 1 A 7 7 ARG HA H 7 3.955 4.127 -0.172 1
1 68 . 14 1 1 A 7 7 ARG CA C 7 59.724 58.804 0.920 1
1 69 . 14 1 1 A 7 7 ARG CB C 7 29.965 30.016 -0.051 1
1 72 . 14 1 1 A 7 7 ARG N N 7 119.491 119.741 -0.250 1
1 73 . 14 1 1 A 8 8 LEU H H 8 8.158 8.462 -0.304 1
1 74 . 14 1 1 A 8 8 LEU HA H 8 4.161 4.076 0.085 1
1 84 . 14 1 1 A 8 8 LEU CA C 8 57.686 57.814 -0.128 1
1 85 . 14 1 1 A 8 8 LEU CB C 8 41.312 41.425 -0.113 1
1 89 . 14 1 1 A 8 8 LEU N N 8 120.359 120.071 0.288 1
1 90 . 14 1 1 A 9 9 SER H H 9 8.090 7.945 0.145 1
1 91 . 14 1 1 A 9 9 SER HA H 9 4.292 4.095 0.197 1
1 94 . 14 1 1 A 9 9 SER CA C 9 61.570 62.386 -0.816 1
1 95 . 14 1 1 A 9 9 SER CB C 9 62.493 62.857 -0.364 1
1 96 . 14 1 1 A 9 9 SER N N 9 116.178 114.214 1.964 1
1 97 . 14 1 1 A 10 10 ILE H H 10 8.396 7.908 0.488 1
1 98 . 14 1 1 A 10 10 ILE HA H 10 3.505 3.505 0.000 1
1 108 . 14 1 1 A 10 10 ILE CA C 10 65.608 65.012 0.596 1
1 109 . 14 1 1 A 10 10 ILE CB C 10 37.706 37.195 0.511 1
1 113 . 14 1 1 A 10 10 ILE N N 10 122.840 121.353 1.487 1
1 114 . 14 1 1 A 11 11 GLN H H 11 8.142 7.873 0.269 1
1 115 . 14 1 1 A 11 11 GLN HA H 11 4.032 4.014 0.018 1
1 122 . 14 1 1 A 11 11 GLN CA C 11 59.060 59.246 -0.186 1
1 123 . 14 1 1 A 11 11 GLN CB C 11 27.888 28.357 -0.469 1
1 125 . 14 1 1 A 11 11 GLN N N 11 119.144 118.848 0.296 1
1 127 . 14 1 1 A 12 12 ARG H H 12 8.330 7.602 0.728 1
1 128 . 14 1 1 A 12 12 ARG HA H 12 4.179 4.042 0.137 1
1 135 . 14 1 1 A 12 12 ARG CA C 12 59.494 59.416 0.078 1
1 136 . 14 1 1 A 12 12 ARG CB C 12 29.734 30.036 -0.302 1
1 138 . 14 1 1 A 12 12 ARG N N 12 120.186 119.214 0.972 1
1 139 . 14 1 1 A 13 13 CYS H H 13 8.242 7.807 0.435 1
1 140 . 14 1 1 A 13 13 CYS HA H 13 4.231 4.112 0.119 1
1 143 . 14 1 1 A 13 13 CYS CA C 13 63.289 63.978 -0.689 1
1 144 . 14 1 1 A 13 13 CYS CB C 13 26.505 27.125 -0.620 1
1 145 . 14 1 1 A 13 13 CYS N N 13 121.574 120.199 1.375 1
1 146 . 14 1 1 A 14 14 ILE H H 14 8.493 8.406 0.087 1
1 147 . 14 1 1 A 14 14 ILE HA H 14 3.787 3.566 0.221 1
1 157 . 14 1 1 A 14 14 ILE CA C 14 64.269 65.344 -1.075 1
1 158 . 14 1 1 A 14 14 ILE CB C 14 36.597 37.794 -1.197 1
1 162 . 14 1 1 A 14 14 ILE N N 14 120.012 119.912 0.100 1
1 163 . 14 1 1 A 15 15 GLN H H 15 8.468 8.300 0.168 1
1 164 . 14 1 1 A 15 15 GLN HA H 15 4.107 4.015 0.092 1
1 171 . 14 1 1 A 15 15 GLN CA C 15 58.969 59.058 -0.089 1
1 172 . 14 1 1 A 15 15 GLN CB C 15 27.843 28.482 -0.639 1
1 174 . 14 1 1 A 15 15 GLN N N 15 119.665 118.842 0.823 1
1 176 . 14 1 1 A 16 16 SER H H 16 8.409 8.074 0.335 1
1 177 . 14 1 1 A 16 16 SER HA H 16 4.424 4.086 0.338 1
1 180 . 14 1 1 A 16 16 SER CA C 16 61.726 62.502 -0.776 1
1 181 . 14 1 1 A 16 16 SER CB C 16 62.564 63.084 -0.520 1
1 182 . 14 1 1 A 16 16 SER N N 16 117.062 116.238 0.824 1
1 183 . 14 1 1 A 17 17 LEU H H 17 8.235 8.076 0.159 1
1 184 . 14 1 1 A 17 17 LEU HA H 17 4.103 4.080 0.023 1
1 194 . 14 1 1 A 17 17 LEU CA C 17 58.340 57.828 0.512 1
1 195 . 14 1 1 A 17 17 LEU CB C 17 41.961 41.667 0.294 1
1 199 . 14 1 1 A 17 17 LEU N N 17 125.564 122.831 2.733 1
1 200 . 14 1 1 A 18 18 VAL H H 18 8.603 8.301 0.302 1
1 201 . 14 1 1 A 18 18 VAL HA H 18 3.261 3.558 -0.297 1
1 209 . 14 1 1 A 18 18 VAL CA C 18 67.097 66.525 0.572 1
1 210 . 14 1 1 A 18 18 VAL CB C 18 31.589 31.524 0.065 1
1 213 . 14 1 1 A 18 18 VAL N N 18 119.665 118.860 0.805 1
1 214 . 14 1 1 A 19 19 HIS H H 19 8.083 8.269 -0.186 1
1 215 . 14 1 1 A 19 19 HIS HA H 19 4.231 4.160 0.071 1
1 219 . 14 1 1 A 19 19 HIS CA C 19 59.641 60.225 -0.584 1
1 220 . 14 1 1 A 19 19 HIS CB C 19 26.966 29.683 -2.717 1
1 222 . 14 1 1 A 19 19 HIS N N 19 116.094 119.329 -3.235 1
1 223 . 14 1 1 A 20 20 ALA H H 20 8.796 8.414 0.382 1
1 224 . 14 1 1 A 20 20 ALA HA H 20 4.308 3.996 0.312 1
1 228 . 14 1 1 A 20 20 ALA CA C 20 55.341 55.179 0.162 1
1 229 . 14 1 1 A 20 20 ALA CB C 20 20.026 18.308 1.718 1
1 230 . 14 1 1 A 20 20 ALA N N 20 121.747 120.404 1.343 1
1 231 . 14 1 1 A 21 21 CYS H H 21 7.909 8.000 -0.091 1
1 232 . 14 1 1 A 21 21 CYS HA H 21 4.294 4.243 0.051 1
1 235 . 14 1 1 A 21 21 CYS CA C 21 61.665 62.042 -0.377 1
1 236 . 14 1 1 A 21 21 CYS CB C 21 26.764 27.014 -0.250 1
1 237 . 14 1 1 A 21 21 CYS N N 21 111.875 115.828 -3.953 1
1 238 . 14 1 1 A 22 22 GLN H H 22 7.357 7.441 -0.084 1
1 239 . 14 1 1 A 22 22 GLN HA H 22 4.531 4.319 0.212 1
1 246 . 14 1 1 A 22 22 GLN CA C 22 54.445 56.247 -1.802 1
1 247 . 14 1 1 A 22 22 GLN CB C 22 30.608 30.266 0.342 1
1 249 . 14 1 1 A 22 22 GLN N N 22 116.021 116.653 -0.632 1
1 251 . 14 1 1 A 23 23 CYS H H 23 7.229 7.672 -0.443 1
1 252 . 14 1 1 A 23 23 CYS HA H 23 3.947 4.323 -0.376 1
1 255 . 14 1 1 A 23 23 CYS CA C 23 59.996 59.250 0.746 1
1 256 . 14 1 1 A 23 23 CYS CB C 23 29.000 28.459 0.541 1
1 257 . 14 1 1 A 23 23 CYS N N 23 124.350 118.686 5.664 1
1 258 . 14 1 1 A 24 24 ARG H H 24 8.966 8.750 0.216 1
1 259 . 14 1 1 A 24 24 ARG HA H 24 4.590 4.610 -0.020 1
1 266 . 14 1 1 A 24 24 ARG CA C 24 54.306 56.014 -1.708 1
1 267 . 14 1 1 A 24 24 ARG CB C 24 29.771 32.100 -2.329 1
1 270 . 14 1 1 A 24 24 ARG N N 24 129.729 123.478 6.251 1
1 271 . 14 1 1 A 25 25 ASN H H 25 7.823 7.596 0.227 1
1 272 . 14 1 1 A 25 25 ASN HA H 25 4.853 4.605 0.248 1
1 277 . 14 1 1 A 25 25 ASN CA C 25 51.372 53.777 -2.405 1
1 278 . 14 1 1 A 25 25 ASN CB C 25 38.727 39.127 -0.400 1
1 279 . 14 1 1 A 25 25 ASN N N 25 120.186 118.970 1.216 1
1 281 . 14 1 1 A 26 26 ALA H H 26 9.248 8.991 0.257 1
1 282 . 14 1 1 A 26 26 ALA HA H 26 4.091 4.070 0.021 1
1 286 . 14 1 1 A 26 26 ALA CA C 26 54.027 54.606 -0.579 1
1 287 . 14 1 1 A 26 26 ALA CB C 26 18.209 18.538 -0.329 1
1 288 . 14 1 1 A 26 26 ALA N N 26 130.423 125.793 4.630 1
1 289 . 14 1 1 A 27 27 ASN H H 27 8.085 7.979 0.106 1
1 290 . 14 1 1 A 27 27 ASN HA H 27 4.834 4.963 -0.129 1
1 295 . 14 1 1 A 27 27 ASN CA C 27 51.625 52.109 -0.484 1
1 296 . 14 1 1 A 27 27 ASN CB C 27 38.577 39.292 -0.715 1
1 297 . 14 1 1 A 27 27 ASN N N 27 113.766 114.392 -0.626 1
1 299 . 14 1 1 A 28 28 CYS H H 28 7.209 7.508 -0.299 1
1 300 . 14 1 1 A 28 28 CYS HA H 28 4.053 4.319 -0.266 1
1 303 . 14 1 1 A 28 28 CYS CA C 28 61.312 59.870 1.442 1
1 304 . 14 1 1 A 28 28 CYS CB C 28 29.674 29.041 0.633 1
1 305 . 14 1 1 A 28 28 CYS N N 28 123.309 120.627 2.682 1
1 306 . 14 1 1 A 29 29 SER H H 29 8.922 8.614 0.308 1
1 307 . 14 1 1 A 29 29 SER HA H 29 4.609 4.183 0.426 1
1 310 . 14 1 1 A 29 29 SER CA C 29 57.450 60.919 -3.469 1
1 311 . 14 1 1 A 29 29 SER CB C 29 63.604 62.838 0.766 1
1 312 . 14 1 1 A 29 29 SER N N 29 124.870 120.077 4.793 1
1 313 . 14 1 1 A 30 30 LEU H H 30 8.513 7.595 0.918 1
1 314 . 14 1 1 A 30 30 LEU HA H 30 4.497 4.405 0.092 1
1 324 . 14 1 1 A 30 30 LEU CA C 30 53.980 52.856 1.124 1
1 325 . 14 1 1 A 30 30 LEU CB C 30 40.643 41.709 -1.066 1
1 329 . 14 1 1 A 30 30 LEU N N 30 128.341 125.113 3.228 1
1 330 . 14 1 1 A 31 31 PRO HA H 31 4.329 4.268 0.061 1
1 337 . 14 1 1 A 31 31 PRO CA C 31 65.026 64.776 0.250 1
1 338 . 14 1 1 A 31 31 PRO CB C 31 31.580 32.209 -0.629 1
1 341 . 14 1 1 A 32 32 SER H H 32 8.537 8.125 0.412 1
1 342 . 14 1 1 A 32 32 SER HA H 32 4.287 4.202 0.085 1
1 345 . 14 1 1 A 32 32 SER CA C 32 60.277 61.388 -1.111 1
1 346 . 14 1 1 A 32 32 SER CB C 32 62.277 62.353 -0.076 1
1 347 . 14 1 1 A 32 32 SER N N 32 112.551 111.909 0.642 1
1 348 . 14 1 1 A 33 33 CYS H H 33 7.523 8.103 -0.580 1
1 349 . 14 1 1 A 33 33 CYS HA H 33 4.170 3.928 0.242 1
1 352 . 14 1 1 A 33 33 CYS CA C 33 63.408 62.807 0.601 1
1 353 . 14 1 1 A 33 33 CYS CB C 33 29.503 26.506 2.997 1
1 354 . 14 1 1 A 33 33 CYS N N 33 126.085 120.965 5.120 1
1 355 . 14 1 1 A 34 34 GLN H H 34 8.102 7.895 0.207 1
1 356 . 14 1 1 A 34 34 GLN HA H 34 3.963 4.062 -0.099 1
1 359 . 14 1 1 A 34 34 GLN N N 34 115.711 118.993 -3.282 1
1 361 . 14 1 1 A 35 35 LYS H H 35 8.093 7.823 0.270 1
1 362 . 14 1 1 A 35 35 LYS HA H 35 3.994 4.150 -0.156 1
1 371 . 14 1 1 A 35 35 LYS CA C 35 59.502 58.761 0.741 1
1 372 . 14 1 1 A 35 35 LYS CB C 35 32.273 32.672 -0.399 1
1 376 . 14 1 1 A 35 35 LYS N N 35 117.930 120.592 -2.662 1
1 377 . 14 1 1 A 36 36 MET H H 36 8.237 8.687 -0.450 1
1 378 . 14 1 1 A 36 36 MET HA H 36 4.488 4.078 0.410 1
1 386 . 14 1 1 A 36 36 MET CA C 36 56.725 59.327 -2.602 1
1 387 . 14 1 1 A 36 36 MET CB C 36 30.954 32.647 -1.693 1
1 390 . 14 1 1 A 36 36 MET N N 36 117.062 118.666 -1.604 1
1 391 . 14 1 1 A 37 37 LYS H H 37 9.107 8.008 1.099 1
1 392 . 14 1 1 A 37 37 LYS HA H 37 3.900 4.012 -0.112 1
1 401 . 14 1 1 A 37 37 LYS CA C 37 61.097 60.003 1.094 1
1 402 . 14 1 1 A 37 37 LYS CB C 37 32.947 32.234 0.713 1
1 406 . 14 1 1 A 37 37 LYS N N 37 120.186 119.194 0.992 1
1 407 . 14 1 1 A 38 38 ARG H H 38 7.781 7.891 -0.110 1
1 408 . 14 1 1 A 38 38 ARG HA H 38 4.127 4.064 0.063 1
1 413 . 14 1 1 A 38 38 ARG CA C 38 59.263 59.560 -0.297 1
1 414 . 14 1 1 A 38 38 ARG CB C 38 29.965 30.436 -0.471 1
1 416 . 14 1 1 A 38 38 ARG N N 38 118.971 119.653 -0.682 1
1 417 . 14 1 1 A 39 39 VAL H H 39 8.289 8.304 -0.015 1
1 418 . 14 1 1 A 39 39 VAL HA H 39 3.539 3.739 -0.200 1
1 426 . 14 1 1 A 39 39 VAL CA C 39 66.989 66.530 0.459 1
1 427 . 14 1 1 A 39 39 VAL CB C 39 31.451 31.695 -0.244 1
1 430 . 14 1 1 A 39 39 VAL N N 39 123.829 120.056 3.773 1
1 431 . 14 1 1 A 40 40 VAL H H 40 8.318 8.448 -0.130 1
1 432 . 14 1 1 A 40 40 VAL HA H 40 3.528 3.801 -0.273 1
1 440 . 14 1 1 A 40 40 VAL CA C 40 67.050 65.288 1.762 1
1 441 . 14 1 1 A 40 40 VAL CB C 40 31.608 31.289 0.319 1
1 444 . 14 1 1 A 40 40 VAL N N 40 119.665 120.439 -0.774 1
1 445 . 14 1 1 A 41 41 GLN H H 41 8.263 8.037 0.226 1
1 446 . 14 1 1 A 41 41 GLN HA H 41 3.974 3.948 0.026 1
1 453 . 14 1 1 A 41 41 GLN CA C 41 58.571 59.237 -0.666 1
1 454 . 14 1 1 A 41 41 GLN CB C 41 28.018 28.424 -0.406 1
1 456 . 14 1 1 A 41 41 GLN N N 41 118.450 122.104 -3.654 1
1 458 . 14 1 1 A 42 42 HIS H H 42 8.309 8.187 0.122 1
1 459 . 14 1 1 A 42 42 HIS HA H 42 4.215 4.356 -0.141 1
1 463 . 14 1 1 A 42 42 HIS CA C 42 59.402 59.334 0.068 1
1 464 . 14 1 1 A 42 42 HIS CB C 42 26.966 30.433 -3.467 1
1 466 . 14 1 1 A 42 42 HIS N N 42 118.971 120.143 -1.172 1
1 467 . 14 1 1 A 43 43 THR H H 43 8.056 8.070 -0.014 1
1 468 . 14 1 1 A 43 43 THR HA H 43 3.929 3.735 0.194 1
1 474 . 14 1 1 A 43 43 THR CA C 43 66.101 67.077 -0.976 1
1 475 . 14 1 1 A 43 43 THR CB C 43 69.107 68.199 0.908 1
1 477 . 14 1 1 A 43 43 THR N N 43 114.320 113.316 1.004 1
1 478 . 14 1 1 A 44 44 LYS H H 44 7.531 8.003 -0.472 1
1 479 . 14 1 1 A 44 44 LYS HA H 44 4.085 4.155 -0.070 1
1 488 . 14 1 1 A 44 44 LYS CA C 44 58.682 58.656 0.026 1
1 489 . 14 1 1 A 44 44 LYS CB C 44 32.024 32.453 -0.429 1
1 493 . 14 1 1 A 44 44 LYS N N 44 120.012 118.925 1.087 1
1 494 . 14 1 1 A 45 45 GLY H H 45 7.143 7.711 -0.568 1
1 495 . 14 1 1 A 45 45 GLY HA2 H 45 3.625 4.058 -0.433 1
1 496 . 14 1 1 A 45 45 GLY HA3 H 45 4.387 4.073 0.314 1
1 497 . 14 1 1 A 45 45 GLY CA C 45 44.289 45.468 -1.179 1
1 498 . 14 1 1 A 45 45 GLY N N 45 103.528 106.471 -2.943 1
1 499 . 14 1 1 A 46 46 CYS H H 46 6.988 7.217 -0.229 1
1 500 . 14 1 1 A 46 46 CYS HA H 46 3.955 4.277 -0.322 1
1 503 . 14 1 1 A 46 46 CYS CA C 46 60.654 59.370 1.284 1
1 504 . 14 1 1 A 46 46 CYS CB C 46 29.793 28.247 1.546 1
1 505 . 14 1 1 A 46 46 CYS N N 46 123.656 120.239 3.417 1
1 506 . 14 1 1 A 47 47 LYS H H 47 9.060 9.150 -0.090 1
1 507 . 14 1 1 A 47 47 LYS HA H 47 4.489 4.482 0.007 1
1 516 . 14 1 1 A 47 47 LYS CA C 47 56.127 56.528 -0.401 1
1 517 . 14 1 1 A 47 47 LYS CB C 47 32.393 32.806 -0.413 1
1 521 . 14 1 1 A 47 47 LYS N N 47 127.820 126.050 1.770 1
1 522 . 14 1 1 A 48 48 ARG H H 48 8.537 7.615 0.922 1
1 523 . 14 1 1 A 48 48 ARG HA H 48 4.330 4.530 -0.200 1
1 530 . 14 1 1 A 48 48 ARG CA C 48 57.648 56.545 1.103 1
1 531 . 14 1 1 A 48 48 ARG CB C 48 31.810 32.186 -0.376 1
1 534 . 14 1 1 A 48 48 ARG N N 48 122.615 115.165 7.450 1
1 535 . 14 1 1 A 49 49 LYS H H 49 8.522 8.031 0.491 1
1 536 . 14 1 1 A 49 49 LYS HA H 49 4.554 4.315 0.239 1
1 545 . 14 1 1 A 49 49 LYS CA C 49 57.417 57.111 0.306 1
1 546 . 14 1 1 A 49 49 LYS CB C 49 31.543 32.714 -1.171 1
1 550 . 14 1 1 A 49 49 LYS N N 49 117.583 119.832 -2.249 1
1 551 . 14 1 1 A 50 50 THR H H 50 7.992 8.767 -0.775 1
1 552 . 14 1 1 A 50 50 THR HA H 50 4.127 3.919 0.208 1
1 557 . 14 1 1 A 50 50 THR CA C 50 63.985 65.630 -1.645 1
1 558 . 14 1 1 A 50 50 THR CB C 50 68.157 68.139 0.018 1
1 560 . 14 1 1 A 50 50 THR N N 50 113.245 113.223 0.022 1
1 561 . 14 1 1 A 51 51 ASN H H 51 8.888 8.299 0.589 1
1 562 . 14 1 1 A 51 51 ASN HA H 51 4.665 4.490 0.175 1
1 567 . 14 1 1 A 51 51 ASN CA C 51 54.159 55.910 -1.751 1
1 568 . 14 1 1 A 51 51 ASN CB C 51 37.857 38.432 -0.575 1
1 570 . 14 1 1 A 52 52 GLY H H 52 7.972 7.628 0.344 1
1 571 . 14 1 1 A 52 52 GLY HA2 H 52 3.893 4.073 -0.180 1
1 572 . 14 1 1 A 52 52 GLY HA3 H 52 4.101 4.076 0.025 1
1 573 . 14 1 1 A 52 52 GLY CA C 52 45.368 45.628 -0.260 1
1 574 . 14 1 1 A 52 52 GLY N N 52 106.651 105.956 0.695 1
1 575 . 14 1 1 A 53 53 GLY H H 53 7.765 8.021 -0.256 1
1 576 . 14 1 1 A 53 53 GLY HA2 H 53 3.837 4.061 -0.224 1
1 577 . 14 1 1 A 53 53 GLY HA3 H 53 4.079 4.062 0.017 1
1 578 . 14 1 1 A 53 53 GLY CA C 53 45.227 45.016 0.211 1
1 579 . 14 1 1 A 53 53 GLY N N 53 107.519 106.280 1.239 1
1 580 . 14 1 1 A 54 54 CYS H H 54 8.099 8.041 0.058 1
1 581 . 14 1 1 A 54 54 CYS HA H 54 4.720 4.614 0.106 1
1 584 . 14 1 1 A 54 54 CYS CA C 54 55.572 57.348 -1.776 1
1 585 . 14 1 1 A 54 54 CYS CB C 54 30.216 28.787 1.429 1
1 586 . 14 1 1 A 54 54 CYS N N 54 122.615 119.740 2.875 1
1 587 . 14 1 1 A 55 55 PRO HA H 55 4.237 4.466 -0.229 1
1 594 . 14 1 1 A 55 55 PRO CA C 55 64.757 64.136 0.621 1
1 595 . 14 1 1 A 55 55 PRO CB C 55 32.311 32.014 0.297 1
1 598 . 14 1 1 A 56 56 VAL H H 56 7.645 7.196 0.449 1
1 599 . 14 1 1 A 56 56 VAL HA H 56 3.384 3.704 -0.320 1
1 607 . 14 1 1 A 56 56 VAL CA C 56 66.184 66.038 0.146 1
1 608 . 14 1 1 A 56 56 VAL CB C 56 32.502 31.503 0.999 1
1 611 . 14 1 1 A 56 56 VAL N N 56 121.227 116.845 4.382 1
1 612 . 14 1 1 A 57 57 CYS H H 57 8.565 7.837 0.728 1
1 613 . 14 1 1 A 57 57 CYS HA H 57 4.034 4.061 -0.027 1
1 616 . 14 1 1 A 57 57 CYS CA C 57 65.746 63.511 2.235 1
1 617 . 14 1 1 A 57 57 CYS CB C 57 29.273 27.101 2.172 1
1 618 . 14 1 1 A 57 57 CYS N N 57 122.615 117.831 4.784 1
1 619 . 14 1 1 A 58 58 LYS H H 58 7.956 7.765 0.191 1
1 620 . 14 1 1 A 58 58 LYS HA H 58 3.874 3.809 0.065 1
1 629 . 14 1 1 A 58 58 LYS CA C 58 59.955 59.415 0.540 1
1 630 . 14 1 1 A 58 58 LYS CB C 58 32.272 32.209 0.063 1
1 634 . 14 1 1 A 58 58 LYS N N 58 116.889 121.095 -4.206 1
1 635 . 14 1 1 A 59 59 GLN H H 59 7.359 7.749 -0.390 1
1 636 . 14 1 1 A 59 59 GLN HA H 59 3.789 4.055 -0.266 1
1 643 . 14 1 1 A 59 59 GLN CA C 59 60.647 58.774 1.873 1
1 644 . 14 1 1 A 59 59 GLN CB C 59 27.196 28.095 -0.899 1
1 646 . 14 1 1 A 59 59 GLN N N 59 116.889 118.579 -1.690 1
1 648 . 14 1 1 A 60 60 LEU H H 60 8.303 7.753 0.550 1
1 649 . 14 1 1 A 60 60 LEU HA H 60 4.093 3.968 0.125 1
1 659 . 14 1 1 A 60 60 LEU CA C 60 58.110 57.904 0.206 1
1 660 . 14 1 1 A 60 60 LEU CB C 60 40.807 41.706 -0.899 1
1 664 . 14 1 1 A 60 60 LEU N N 60 118.103 119.176 -1.073 1
1 665 . 14 1 1 A 61 61 ILE H H 61 8.804 8.057 0.747 1
1 666 . 14 1 1 A 61 61 ILE HA H 61 3.801 3.552 0.249 1
1 676 . 14 1 1 A 61 61 ILE CA C 61 63.416 65.683 -2.267 1
1 677 . 14 1 1 A 61 61 ILE CB C 61 36.886 37.665 -0.779 1
1 681 . 14 1 1 A 61 61 ILE N N 61 118.624 118.819 -0.195 1
1 682 . 14 1 1 A 62 62 ALA H H 62 7.796 7.783 0.013 1
1 683 . 14 1 1 A 62 62 ALA HA H 62 4.058 4.131 -0.073 1
1 687 . 14 1 1 A 62 62 ALA CA C 62 56.030 55.361 0.669 1
1 688 . 14 1 1 A 62 62 ALA CB C 62 18.068 18.379 -0.311 1
1 689 . 14 1 1 A 62 62 ALA N N 62 124.003 122.606 1.397 1
1 690 . 14 1 1 A 63 63 LEU H H 63 8.011 7.668 0.343 1
1 691 . 14 1 1 A 63 63 LEU HA H 63 4.077 4.093 -0.016 1
1 701 . 14 1 1 A 63 63 LEU CA C 63 58.110 57.852 0.258 1
1 702 . 14 1 1 A 63 63 LEU CB C 63 42.116 41.297 0.819 1
1 706 . 14 1 1 A 63 63 LEU N N 63 117.583 119.444 -1.861 1
1 707 . 14 1 1 A 64 64 CYS H H 64 8.818 8.635 0.183 1
1 708 . 14 1 1 A 64 64 CYS HA H 64 4.053 4.311 -0.258 1
1 711 . 14 1 1 A 64 64 CYS CA C 64 64.800 62.800 2.000 1
1 712 . 14 1 1 A 64 64 CYS CB C 64 26.504 27.092 -0.588 1
1 713 . 14 1 1 A 64 64 CYS N N 64 118.277 117.060 1.217 1
1 714 . 14 1 1 A 65 65 CYS H H 65 8.793 8.661 0.132 1
1 715 . 14 1 1 A 65 65 CYS HA H 65 4.258 4.156 0.102 1
1 718 . 14 1 1 A 65 65 CYS CA C 65 63.646 63.806 -0.160 1
1 719 . 14 1 1 A 65 65 CYS CB C 65 26.966 27.340 -0.374 1
1 720 . 14 1 1 A 65 65 CYS N N 65 118.971 119.306 -0.335 1
1 721 . 14 1 1 A 66 66 TYR H H 66 8.369 8.384 -0.015 1
1 722 . 14 1 1 A 66 66 TYR HA H 66 4.034 4.210 -0.176 1
1 729 . 14 1 1 A 66 66 TYR CA C 66 60.886 61.679 -0.793 1
1 730 . 14 1 1 A 66 66 TYR CB C 66 37.808 38.572 -0.764 1
1 733 . 14 1 1 A 66 66 TYR N N 66 121.574 122.765 -1.191 1
1 734 . 14 1 1 A 67 67 HIS H H 67 8.633 7.662 0.971 1
1 735 . 14 1 1 A 67 67 HIS HA H 67 4.318 4.249 0.069 1
1 740 . 14 1 1 A 67 67 HIS CA C 67 58.998 59.777 -0.779 1
1 741 . 14 1 1 A 67 67 HIS CB C 67 27.409 30.328 -2.919 1
1 744 . 14 1 1 A 67 67 HIS N N 67 117.409 119.054 -1.645 1
1 745 . 14 1 1 A 68 68 ALA H H 68 8.725 8.875 -0.150 1
1 746 . 14 1 1 A 68 68 ALA HA H 68 4.019 3.911 0.108 1
1 750 . 14 1 1 A 68 68 ALA CA C 68 54.690 55.307 -0.617 1
1 751 . 14 1 1 A 68 68 ALA CB C 68 19.964 18.508 1.456 1
1 752 . 14 1 1 A 68 68 ALA N N 68 122.094 120.748 1.346 1
1 753 . 14 1 1 A 69 69 LYS H H 69 7.362 8.165 -0.803 1
1 754 . 14 1 1 A 69 69 LYS HA H 69 3.736 3.966 -0.230 1
1 763 . 14 1 1 A 69 69 LYS CA C 69 58.137 59.437 -1.300 1
1 764 . 14 1 1 A 69 69 LYS CB C 69 32.224 32.378 -0.154 1
1 768 . 14 1 1 A 69 69 LYS N N 69 114.807 117.772 -2.965 1
1 769 . 14 1 1 A 70 70 HIS H H 70 7.011 7.744 -0.733 1
1 770 . 14 1 1 A 70 70 HIS HA H 70 4.697 4.183 0.514 1
1 774 . 14 1 1 A 70 70 HIS CA C 70 54.835 58.839 -4.004 1
1 775 . 14 1 1 A 70 70 HIS CB C 70 30.477 30.094 0.383 1
1 777 . 14 1 1 A 70 70 HIS N N 70 112.898 119.545 -6.647 1
1 778 . 14 1 1 A 71 71 CYS H H 71 7.012 7.479 -0.467 1
1 779 . 14 1 1 A 71 71 CYS HA H 71 4.032 4.094 -0.062 1
1 782 . 14 1 1 A 71 71 CYS CA C 71 59.948 60.020 -0.072 1
1 783 . 14 1 1 A 71 71 CYS CB C 71 29.752 27.877 1.875 1
1 784 . 14 1 1 A 71 71 CYS N N 71 123.829 118.782 5.047 1
1 785 . 14 1 1 A 72 72 GLN H H 72 9.181 8.631 0.550 1
1 786 . 14 1 1 A 72 72 GLN HA H 72 4.674 4.489 0.185 1
1 793 . 14 1 1 A 72 72 GLN CA C 72 54.224 55.452 -1.228 1
1 794 . 14 1 1 A 72 72 GLN CB C 72 29.049 30.003 -0.954 1
1 796 . 14 1 1 A 72 72 GLN N N 72 128.341 122.551 5.790 1
1 798 . 14 1 1 A 73 73 GLU H H 73 8.396 7.219 1.177 1
1 799 . 14 1 1 A 73 73 GLU HA H 73 4.389 4.299 0.090 1
1 804 . 14 1 1 A 73 73 GLU CA C 73 55.341 56.609 -1.268 1
1 805 . 14 1 1 A 73 73 GLU CB C 73 30.239 30.879 -0.640 1
1 807 . 14 1 1 A 73 73 GLU N N 73 123.309 122.631 0.678 1
1 808 . 14 1 1 A 74 74 ASN H H 74 8.921 9.118 -0.197 1
1 809 . 14 1 1 A 74 74 ASN HA H 74 4.538 4.924 -0.386 1
1 814 . 14 1 1 A 74 74 ASN CA C 74 54.666 53.204 1.462 1
1 815 . 14 1 1 A 74 74 ASN CB C 74 38.301 39.440 -1.139 1
1 816 . 14 1 1 A 74 74 ASN N N 74 124.870 121.708 3.162 1
1 818 . 14 1 1 A 75 75 LYS H H 75 8.847 7.823 1.024 1
1 819 . 14 1 1 A 75 75 LYS HA H 75 4.442 4.646 -0.204 1
1 828 . 14 1 1 A 75 75 LYS CA C 75 54.327 55.205 -0.878 1
1 829 . 14 1 1 A 75 75 LYS CB C 75 30.837 33.178 -2.341 1
1 833 . 14 1 1 A 75 75 LYS N N 75 121.574 117.059 4.515 1
1 834 . 14 1 1 A 76 76 CYS H H 76 7.191 7.336 -0.145 1
1 835 . 14 1 1 A 76 76 CYS HA H 76 4.389 4.427 -0.038 1
1 838 . 14 1 1 A 76 76 CYS CA C 76 57.270 57.594 -0.324 1
1 839 . 14 1 1 A 76 76 CYS CB C 76 30.613 28.270 2.343 1
1 840 . 14 1 1 A 76 76 CYS N N 76 124.350 121.593 2.757 1
1 841 . 14 1 1 A 77 77 PRO HA H 77 4.673 4.417 0.256 1
1 848 . 14 1 1 A 77 77 PRO CA C 77 62.878 64.486 -1.608 1
1 849 . 14 1 1 A 77 77 PRO CB C 77 31.950 31.980 -0.030 1
1 852 . 14 1 1 A 78 78 VAL H H 78 8.974 7.755 1.219 1
1 853 . 14 1 1 A 78 78 VAL HA H 78 4.187 4.208 -0.021 1
1 861 . 14 1 1 A 78 78 VAL CA C 78 61.637 61.016 0.621 1
1 862 . 14 1 1 A 78 78 VAL CB C 78 31.654 32.178 -0.524 1
1 865 . 14 1 1 A 78 78 VAL N N 78 128.688 119.550 9.138 1
1 866 . 14 1 1 A 79 79 PRO HA H 79 3.938 4.257 -0.319 1
1 873 . 14 1 1 A 79 79 PRO CA C 79 63.962 65.121 -1.159 1
1 874 . 14 1 1 A 79 79 PRO CB C 79 30.887 31.950 -1.063 1
1 877 . 14 1 1 A 80 80 PHE HA H 80 4.350 4.280 0.070 1
1 884 . 14 1 1 A 80 80 PHE CA C 80 59.032 60.183 -1.151 1
1 885 . 14 1 1 A 80 80 PHE CB C 80 37.686 38.467 -0.781 1
1 888 . 14 1 1 A 81 81 CYS H H 81 7.686 8.240 -0.554 1
1 889 . 14 1 1 A 81 81 CYS HA H 81 4.001 4.161 -0.160 1
1 892 . 14 1 1 A 81 81 CYS CA C 81 64.779 62.500 2.279 1
1 893 . 14 1 1 A 81 81 CYS CB C 81 29.524 26.564 2.960 1
1 894 . 14 1 1 A 81 81 CYS N N 81 124.176 118.736 5.440 1
1 895 . 14 1 1 A 82 82 LEU H H 82 8.267 8.302 -0.035 1
1 896 . 14 1 1 A 82 82 LEU HA H 82 4.010 3.694 0.316 1
1 906 . 14 1 1 A 82 82 LEU CA C 82 58.340 58.032 0.308 1
1 907 . 14 1 1 A 82 82 LEU CB C 82 40.862 41.654 -0.792 1
1 911 . 14 1 1 A 82 82 LEU N N 82 114.980 121.324 -6.344 1
1 912 . 14 1 1 A 83 83 ASN H H 83 7.917 8.302 -0.385 1
1 913 . 14 1 1 A 83 83 ASN HA H 83 4.490 4.602 -0.112 1
1 918 . 14 1 1 A 83 83 ASN CA C 83 56.061 56.392 -0.331 1
1 919 . 14 1 1 A 83 83 ASN CB C 83 38.494 38.211 0.283 1
1 920 . 14 1 1 A 83 83 ASN N N 83 116.542 116.910 -0.368 1
1 922 . 14 1 1 A 84 84 ILE H H 84 8.788 8.188 0.600 1
1 923 . 14 1 1 A 84 84 ILE HA H 84 3.734 3.780 -0.046 1
1 933 . 14 1 1 A 84 84 ILE CA C 84 65.142 65.058 0.084 1
1 934 . 14 1 1 A 84 84 ILE CB C 84 38.039 37.730 0.309 1
1 938 . 14 1 1 A 84 84 ILE N N 84 121.747 120.436 1.311 1
1 939 . 14 1 1 A 85 85 LYS H H 85 8.954 8.532 0.422 1
1 940 . 14 1 1 A 85 85 LYS HA H 85 3.839 4.025 -0.186 1
1 949 . 14 1 1 A 85 85 LYS CA C 85 60.936 59.537 1.399 1
1 950 . 14 1 1 A 85 85 LYS CB C 85 32.041 32.302 -0.261 1
1 954 . 14 1 1 A 85 85 LYS N N 85 119.665 120.476 -0.811 1
1 955 . 14 1 1 A 86 86 HIS H H 86 8.043 8.049 -0.006 1
1 956 . 14 1 1 A 86 86 HIS HA H 86 4.411 4.369 0.042 1
1 960 . 14 1 1 A 86 86 HIS CA C 86 58.746 59.239 -0.493 1
1 961 . 14 1 1 A 86 86 HIS CB C 86 30.067 29.922 0.145 1
1 963 . 14 1 1 A 86 86 HIS N N 86 116.542 118.087 -1.545 1
1 964 . 14 1 1 A 87 87 LYS H H 87 7.822 7.842 -0.020 1
1 965 . 14 1 1 A 87 87 LYS HA H 87 4.158 4.108 0.050 1
1 968 . 14 1 1 A 87 87 LYS CA C 87 57.879 58.891 -1.012 1
1 969 . 14 1 1 A 87 87 LYS N N 87 119.318 119.736 -0.418 1
1 970 . 14 1 1 A 88 88 LEU H H 88 8.405 8.456 -0.051 1
1 971 . 14 1 1 A 88 88 LEU HA H 88 4.194 4.016 0.178 1
1 981 . 14 1 1 A 88 88 LEU CA C 88 56.289 57.923 -1.634 1
1 982 . 14 1 1 A 88 88 LEU CB C 88 41.692 41.356 0.336 1
1 986 . 14 1 1 A 88 88 LEU N N 88 119.144 119.857 -0.713 1
1 987 . 14 1 1 A 89 89 ARG H H 89 7.826 8.481 -0.655 1
1 988 . 14 1 1 A 89 89 ARG HA H 89 4.271 3.919 0.352 1
1 995 . 14 1 1 A 89 89 ARG CA C 89 56.666 60.146 -3.480 1
1 996 . 14 1 1 A 89 89 ARG CB C 89 29.965 30.048 -0.083 1
1 999 . 14 1 1 A 89 89 ARG N N 89 118.450 118.802 -0.352 1
1 1000 . 14 1 1 A 90 90 GLN H H 90 7.935 8.235 -0.300 1
1 1001 . 14 1 1 A 90 90 GLN HA H 90 4.270 4.210 0.060 1
1 1008 . 14 1 1 A 90 90 GLN CA C 90 55.840 57.568 -1.728 1
1 1009 . 14 1 1 A 90 90 GLN CB C 90 28.989 28.316 0.673 1
1 1011 . 14 1 1 A 90 90 GLN N N 90 119.318 117.051 2.267 1
1 1013 . 14 1 1 A 91 91 GLN H H 91 8.141 8.161 -0.020 1
1 1014 . 14 1 1 A 91 91 GLN HA H 91 4.352 4.628 -0.276 1
1 1021 . 14 1 1 A 91 91 GLN CA C 91 55.581 56.263 -0.682 1
1 1022 . 14 1 1 A 91 91 GLN CB C 91 29.284 30.686 -1.402 1
1 1024 . 14 1 1 A 91 91 GLN N N 91 120.706 115.366 5.340 1
1 1043 . 14 2 2 B 2 2 SER CB C 707 63.646 65.086 -1.440 1
1 1044 . 14 2 2 B 3 3 HIS HA H 708 4.663 4.326 0.337 1
1 1047 . 14 2 2 B 3 3 HIS CA C 708 56.033 58.582 -2.549 1
1 1048 . 14 2 2 B 3 3 HIS CB C 708 30.146 29.287 0.859 1
1 1053 . 14 2 2 B 5 5 SER H H 710 8.437 7.444 0.993 1
1 1054 . 14 2 2 B 5 5 SER HA H 710 4.429 4.332 0.097 1
1 1057 . 14 2 2 B 5 5 SER CA C 710 58.340 59.733 -1.393 1
1 1058 . 14 2 2 B 5 5 SER CB C 710 63.416 63.544 -0.128 1
1 1059 . 14 2 2 B 5 5 SER N N 710 117.160 111.989 5.171 1
1 1060 . 14 2 2 B 6 6 GLU H H 711 8.458 7.280 1.178 1
1 1061 . 14 2 2 B 6 6 GLU HA H 711 4.311 4.882 -0.571 1
1 1066 . 14 2 2 B 6 6 GLU CA C 711 56.033 54.903 1.130 1
1 1067 . 14 2 2 B 6 6 GLU CB C 711 30.223 34.505 -4.282 1
1 1069 . 14 2 2 B 6 6 GLU N N 711 123.053 119.541 3.512 1
1 1070 . 14 2 2 B 7 7 VAL H H 712 8.150 8.710 -0.560 1
1 1071 . 14 2 2 B 7 7 VAL HA H 712 4.050 5.129 -1.079 1
1 1079 . 14 2 2 B 7 7 VAL CA C 712 61.801 58.901 2.900 1
1 1080 . 14 2 2 B 7 7 VAL CB C 712 32.041 36.211 -4.170 1
1 1083 . 14 2 2 B 7 7 VAL N N 712 121.173 117.526 3.647 1
1 1084 . 14 2 2 B 8 8 HIS H H 713 8.495 8.732 -0.237 1
1 1085 . 14 2 2 B 8 8 HIS HA H 713 4.914 5.008 -0.094 1
1 1089 . 14 2 2 B 8 8 HIS CA C 713 53.945 54.514 -0.569 1
1 1090 . 14 2 2 B 8 8 HIS CB C 713 30.218 35.102 -4.884 1
1 1092 . 14 2 2 B 8 8 HIS N N 713 125.310 121.224 4.086 1
1 1093 . 14 2 2 B 9 9 PRO HA H 714 4.430 4.147 0.283 1
1 1100 . 14 2 2 B 9 9 PRO CA C 714 63.409 65.879 -2.470 1
1 1101 . 14 2 2 B 9 9 PRO CB C 714 32.018 31.486 0.532 1
1 1104 . 14 2 2 B 10 10 SER H H 715 8.889 7.603 1.286 1
1 1105 . 14 2 2 B 10 10 SER HA H 715 4.437 4.315 0.122 1
1 1108 . 14 2 2 B 10 10 SER CA C 715 58.571 59.311 -0.740 1
1 1109 . 14 2 2 B 10 10 SER CB C 715 63.213 61.456 1.757 1
1 1110 . 14 2 2 B 10 10 SER N N 715 116.533 110.946 5.587 1
1 1111 . 14 2 2 B 11 11 ARG H H 716 8.442 7.996 0.446 1
1 1112 . 14 2 2 B 11 11 ARG HA H 716 4.388 4.493 -0.105 1
1 1119 . 14 2 2 B 11 11 ARG CA C 716 55.882 55.085 0.797 1
1 1120 . 14 2 2 B 11 11 ARG CB C 716 30.395 28.638 1.757 1
1 1123 . 14 2 2 B 11 11 ARG N N 716 122.803 120.268 2.535 1
1 1124 . 14 2 2 B 12 12 LEU H H 717 8.133 8.058 0.075 1
1 1125 . 14 2 2 B 12 12 LEU HA H 717 4.356 4.279 0.077 1
1 1135 . 14 2 2 B 12 12 LEU CA C 717 54.880 55.273 -0.393 1
1 1136 . 14 2 2 B 12 12 LEU CB C 717 42.081 42.520 -0.439 1
1 1140 . 14 2 2 B 12 12 LEU N N 717 122.552 124.192 -1.640 1
1 1141 . 14 2 2 B 13 13 GLN H H 718 8.440 8.723 -0.283 1
1 1142 . 14 2 2 B 13 13 GLN HA H 718 4.454 4.569 -0.115 1
1 1149 . 14 2 2 B 13 13 GLN CA C 718 55.341 55.335 0.006 1
1 1150 . 14 2 2 B 13 13 GLN CB C 718 29.285 29.480 -0.195 1
1 1152 . 14 2 2 B 13 13 GLN N N 718 121.298 119.694 1.604 1
1 1154 . 14 2 2 B 14 14 THR H H 719 8.257 7.436 0.821 1
1 1155 . 14 2 2 B 14 14 THR HA H 719 4.438 4.833 -0.395 1
1 1160 . 14 2 2 B 14 14 THR CA C 719 61.339 59.536 1.803 1
1 1161 . 14 2 2 B 14 14 THR CB C 719 69.456 71.796 -2.340 1
1 1163 . 14 2 2 B 14 14 THR N N 719 115.154 114.621 0.533 1
1 1164 . 14 2 2 B 15 15 THR H H 720 8.240 8.746 -0.506 1
1 1165 . 14 2 2 B 15 15 THR HA H 720 4.275 4.006 0.269 1
1 1170 . 14 2 2 B 15 15 THR CA C 720 61.967 65.532 -3.565 1
1 1171 . 14 2 2 B 15 15 THR CB C 720 69.183 68.527 0.656 1
1 1173 . 14 2 2 B 15 15 THR N N 720 115.029 119.862 -4.833 1
1 1174 . 14 2 2 B 16 16 ASP H H 721 8.293 8.015 0.278 1
1 1175 . 14 2 2 B 16 16 ASP HA H 721 4.494 4.562 -0.068 1
1 1178 . 14 2 2 B 16 16 ASP CA C 721 54.880 56.149 -1.269 1
1 1179 . 14 2 2 B 16 16 ASP CB C 721 40.891 40.555 0.336 1
1 1180 . 14 2 2 B 16 16 ASP N N 721 122.427 121.471 0.956 1
1 1181 . 14 2 2 B 17 17 ASN H H 722 8.272 7.504 0.768 1
1 1182 . 14 2 2 B 17 17 ASN HA H 722 4.577 4.949 -0.372 1
1 1187 . 14 2 2 B 17 17 ASN CA C 722 53.330 53.084 0.246 1
1 1188 . 14 2 2 B 17 17 ASN CB C 722 38.332 39.814 -1.482 1
1 1189 . 14 2 2 B 17 17 ASN N N 722 118.916 116.256 2.660 1
1 1191 . 14 2 2 B 18 18 LEU H H 723 8.204 7.658 0.546 1
1 1192 . 14 2 2 B 18 18 LEU HA H 723 4.191 4.182 0.009 1
1 1202 . 14 2 2 B 18 18 LEU CA C 723 54.200 57.180 -2.980 1
1 1203 . 14 2 2 B 18 18 LEU CB C 723 43.545 41.436 2.109 1
1 1207 . 14 2 2 B 18 18 LEU N N 723 121.173 118.938 2.235 1
1 1208 . 14 2 2 B 19 19 LEU H H 724 7.416 7.474 -0.058 1
1 1209 . 14 2 2 B 19 19 LEU HA H 724 4.273 4.334 -0.061 1
1 1219 . 14 2 2 B 19 19 LEU CA C 724 52.415 54.050 -1.635 1
1 1220 . 14 2 2 B 19 19 LEU CB C 724 40.471 42.196 -1.725 1
1 1224 . 14 2 2 B 19 19 LEU N N 724 117.286 121.557 -4.271 1
1 1225 . 14 2 2 B 20 20 PRO HA H 725 4.271 4.525 -0.254 1
1 1232 . 14 2 2 B 20 20 PRO CA C 725 63.877 64.084 -0.207 1
1 1233 . 14 2 2 B 20 20 PRO CB C 725 32.716 31.955 0.761 1
1 1236 . 14 2 2 B 21 21 MET H H 726 8.932 7.547 1.385 1
1 1237 . 14 2 2 B 21 21 MET HA H 726 4.841 4.862 -0.021 1
1 1245 . 14 2 2 B 21 21 MET CA C 726 54.199 54.396 -0.197 1
1 1246 . 14 2 2 B 21 21 MET CB C 726 36.939 35.788 1.151 1
1 1249 . 14 2 2 B 21 21 MET N N 726 116.784 118.968 -2.184 1
1 1250 . 14 2 2 B 22 22 SER H H 727 8.956 8.973 -0.017 1
1 1251 . 14 2 2 B 22 22 SER HA H 727 4.771 4.959 -0.188 1
1 1254 . 14 2 2 B 22 22 SER CA C 727 56.255 56.664 -0.409 1
1 1255 . 14 2 2 B 22 22 SER CB C 727 62.528 63.239 -0.711 1
1 1256 . 14 2 2 B 22 22 SER N N 727 119.167 117.017 2.150 1
1 1257 . 14 2 2 B 23 23 PRO HA H 728 4.312 4.485 -0.173 1
1 1264 . 14 2 2 B 23 23 PRO CA C 728 65.953 64.631 1.322 1
1 1265 . 14 2 2 B 23 23 PRO CB C 728 31.810 32.104 -0.294 1
1 1268 . 14 2 2 B 24 24 GLU H H 729 8.877 8.180 0.697 1
1 1269 . 14 2 2 B 24 24 GLU HA H 729 4.163 4.110 0.053 1
1 1274 . 14 2 2 B 24 24 GLU CA C 729 59.748 59.804 -0.056 1
1 1275 . 14 2 2 B 24 24 GLU CB C 729 28.819 29.058 -0.239 1
1 1277 . 14 2 2 B 24 24 GLU N N 729 116.283 118.330 -2.047 1
1 1278 . 14 2 2 B 25 25 GLU H H 730 7.789 7.858 -0.069 1
1 1279 . 14 2 2 B 25 25 GLU HA H 730 3.787 4.039 -0.252 1
1 1284 . 14 2 2 B 25 25 GLU CA C 730 59.266 59.137 0.129 1
1 1285 . 14 2 2 B 25 25 GLU CB C 730 29.501 29.517 -0.016 1
1 1287 . 14 2 2 B 25 25 GLU N N 730 121.298 120.695 0.603 1
1 1288 . 14 2 2 B 26 26 PHE H H 731 8.730 8.606 0.124 1
1 1289 . 14 2 2 B 26 26 PHE HA H 731 4.364 4.173 0.191 1
1 1296 . 14 2 2 B 26 26 PHE CA C 731 59.724 61.346 -1.622 1
1 1297 . 14 2 2 B 26 26 PHE CB C 731 38.230 39.395 -1.165 1
1 1300 . 14 2 2 B 26 26 PHE N N 731 119.543 121.420 -1.877 1
1 1301 . 14 2 2 B 27 27 ASP H H 732 8.587 8.453 0.134 1
1 1302 . 14 2 2 B 27 27 ASP HA H 732 4.097 4.354 -0.257 1
1 1305 . 14 2 2 B 27 27 ASP CA C 732 57.256 57.952 -0.696 1
1 1306 . 14 2 2 B 27 27 ASP CB C 732 40.421 41.694 -1.273 1
1 1307 . 14 2 2 B 27 27 ASP N N 732 121.549 118.658 2.891 1
1 1308 . 14 2 2 B 28 28 GLU H H 733 7.383 7.790 -0.407 1
1 1309 . 14 2 2 B 28 28 GLU HA H 733 4.155 4.068 0.087 1
1 1314 . 14 2 2 B 28 28 GLU CA C 733 58.749 58.975 -0.226 1
1 1315 . 14 2 2 B 28 28 GLU CB C 733 28.933 29.391 -0.458 1
1 1317 . 14 2 2 B 28 28 GLU N N 733 119.793 119.415 0.378 1
1 1318 . 14 2 2 B 29 29 VAL H H 734 8.246 7.735 0.511 1
1 1319 . 14 2 2 B 29 29 VAL HA H 734 3.595 3.432 0.163 1
1 1327 . 14 2 2 B 29 29 VAL CA C 734 66.219 66.090 0.129 1
1 1328 . 14 2 2 B 29 29 VAL CB C 734 31.362 31.564 -0.202 1
1 1331 . 14 2 2 B 29 29 VAL N N 734 118.540 120.819 -2.279 1
1 1332 . 14 2 2 B 30 30 SER H H 735 8.384 8.225 0.159 1
1 1333 . 14 2 2 B 30 30 SER HA H 735 3.912 3.733 0.179 1
1 1336 . 14 2 2 B 30 30 SER CA C 735 61.703 61.226 0.477 1
1 1337 . 14 2 2 B 30 30 SER CB C 735 62.059 62.814 -0.755 1
1 1338 . 14 2 2 B 30 30 SER N N 735 115.154 114.937 0.217 1
1 1339 . 14 2 2 B 31 31 ARG H H 736 7.683 8.029 -0.346 1
1 1340 . 14 2 2 B 31 31 ARG HA H 736 4.027 4.026 0.001 1
1 1348 . 14 2 2 B 31 31 ARG CA C 736 58.571 58.934 -0.363 1
1 1349 . 14 2 2 B 31 31 ARG CB C 736 30.068 29.701 0.367 1
1 1352 . 14 2 2 B 31 31 ARG N N 736 121.549 121.328 0.221 1
1 1354 . 14 2 2 B 32 32 ILE H H 737 7.703 7.230 0.473 1
1 1355 . 14 2 2 B 32 32 ILE HA H 737 3.859 3.888 -0.029 1
1 1365 . 14 2 2 B 32 32 ILE CA C 737 63.445 64.133 -0.688 1
1 1366 . 14 2 2 B 32 32 ILE CB C 737 38.332 38.102 0.230 1
1 1370 . 14 2 2 B 32 32 ILE N N 737 119.167 120.221 -1.054 1
1 1371 . 14 2 2 B 33 33 VAL H H 738 8.293 7.914 0.379 1
1 1372 . 14 2 2 B 33 33 VAL HA H 738 3.901 3.730 0.171 1
1 1380 . 14 2 2 B 33 33 VAL CA C 738 63.805 65.421 -1.616 1
1 1381 . 14 2 2 B 33 33 VAL CB C 738 32.408 31.615 0.793 1
1 1384 . 14 2 2 B 33 33 VAL N N 738 116.157 119.574 -3.417 1
1 1385 . 14 2 2 B 34 34 GLY H H 739 7.868 7.812 0.056 1
1 1386 . 14 2 2 B 34 34 GLY HA2 H 739 3.813 3.840 -0.027 1
1 1387 . 14 2 2 B 34 34 GLY HA3 H 739 4.120 3.859 0.261 1
1 1388 . 14 2 2 B 34 34 GLY CA C 739 44.831 46.611 -1.780 1
1 1389 . 14 2 2 B 34 34 GLY N N 739 108.258 110.194 -1.936 1
1 1390 . 14 2 2 B 35 35 SER H H 740 8.366 8.135 0.231 1
1 1391 . 14 2 2 B 35 35 SER HA H 740 4.389 3.856 0.533 1
1 1394 . 14 2 2 B 35 35 SER CA C 740 58.261 59.091 -0.830 1
1 1395 . 14 2 2 B 35 35 SER CB C 740 62.663 61.639 1.024 1
1 1396 . 14 2 2 B 35 35 SER N N 740 116.408 108.488 7.920 1
1 1397 . 14 2 2 B 36 36 VAL H H 741 7.897 7.575 0.322 1
1 1398 . 14 2 2 B 36 36 VAL HA H 741 4.054 3.886 0.168 1
1 1406 . 14 2 2 B 36 36 VAL CA C 741 61.737 65.556 -3.819 1
1 1407 . 14 2 2 B 36 36 VAL CB C 741 33.084 31.638 1.446 1
1 1410 . 14 2 2 B 36 36 VAL N N 741 122.928 120.299 2.629 1
1 1411 . 14 2 2 B 37 37 GLU H H 742 8.468 8.117 0.351 1
1 1412 . 14 2 2 B 37 37 GLU HA H 742 4.306 4.698 -0.392 1
1 1417 . 14 2 2 B 37 37 GLU CA C 742 55.803 55.887 -0.084 1
1 1418 . 14 2 2 B 37 37 GLU CB C 742 29.029 30.922 -1.893 1
1 1420 . 14 2 2 B 37 37 GLU N N 742 124.057 119.586 4.471 1
1 1421 . 14 2 2 B 38 38 PHE H H 743 8.222 7.790 0.432 1
1 1422 . 14 2 2 B 38 38 PHE HA H 743 4.360 4.038 0.322 1
1 1429 . 14 2 2 B 38 38 PHE CA C 743 59.263 61.918 -2.655 1
1 1430 . 14 2 2 B 38 38 PHE CB C 743 39.524 39.408 0.116 1
1 1433 . 14 2 2 B 38 38 PHE N N 743 122.427 121.750 0.677 1
1 1434 . 14 2 2 B 39 39 ASP H H 744 8.602 8.914 -0.312 1
1 1435 . 14 2 2 B 39 39 ASP HA H 744 4.380 4.389 -0.009 1
1 1438 . 14 2 2 B 39 39 ASP CA C 744 56.495 55.352 1.143 1
1 1439 . 14 2 2 B 39 39 ASP CB C 744 40.119 39.486 0.633 1
1 1440 . 14 2 2 B 39 39 ASP N N 744 120.044 117.419 2.625 1
1 1441 . 14 2 2 B 40 40 SER H H 745 8.143 7.890 0.253 1
1 1442 . 14 2 2 B 40 40 SER HA H 745 4.328 4.756 -0.428 1
1 1445 . 14 2 2 B 40 40 SER CA C 745 59.724 57.863 1.861 1
1 1446 . 14 2 2 B 40 40 SER CB C 745 62.723 64.251 -1.528 1
1 1447 . 14 2 2 B 40 40 SER N N 745 114.527 114.651 -0.124 1
1 1448 . 14 2 2 B 41 41 MET H H 746 7.930 7.672 0.258 1
1 1449 . 14 2 2 B 41 41 MET HA H 746 4.374 4.307 0.067 1
1 1457 . 14 2 2 B 41 41 MET CA C 746 56.244 57.700 -1.456 1
1 1458 . 14 2 2 B 41 41 MET CB C 746 32.502 31.419 1.083 1
1 1461 . 14 2 2 B 41 41 MET N N 746 120.044 121.140 -1.096 1
1 1462 . 14 2 2 B 42 42 MET H H 747 7.784 7.962 -0.178 1
1 1463 . 14 2 2 B 42 42 MET HA H 747 4.232 4.394 -0.162 1
1 1471 . 14 2 2 B 42 42 MET CA C 747 55.830 56.920 -1.090 1
1 1472 . 14 2 2 B 42 42 MET CB C 747 32.502 31.806 0.696 1
1 1475 . 14 2 2 B 42 42 MET N N 747 117.035 116.325 0.710 1
1 1476 . 14 2 2 B 43 43 ASN H H 748 7.960 7.561 0.399 1
1 1477 . 14 2 2 B 43 43 ASN HA H 748 4.831 5.128 -0.297 1
1 1482 . 14 2 2 B 43 43 ASN CA C 748 53.146 51.949 1.197 1
1 1483 . 14 2 2 B 43 43 ASN CB C 748 38.795 41.835 -3.040 1
1 1484 . 14 2 2 B 43 43 ASN N N 748 117.537 117.542 -0.005 1
1 1486 . 14 2 2 B 44 44 THR H H 749 8.039 8.310 -0.271 1
1 1487 . 14 2 2 B 44 44 THR HA H 749 4.432 4.545 -0.113 1
1 1492 . 14 2 2 B 44 44 THR CA C 749 61.570 61.691 -0.121 1
1 1493 . 14 2 2 B 44 44 THR CB C 749 69.644 70.719 -1.075 1
1 1495 . 14 2 2 B 44 44 THR N N 749 114.026 115.010 -0.984 1
1 6 . 15 1 1 A 2 2 PRO HA H 2 4.396 4.292 0.104 1
1 13 . 15 1 1 A 2 2 PRO CA C 2 65.107 66.116 -1.009 1
1 14 . 15 1 1 A 2 2 PRO CB C 2 31.810 31.286 0.524 1
1 17 . 15 1 1 A 3 3 GLN H H 3 8.509 8.366 0.143 1
1 18 . 15 1 1 A 3 3 GLN HA H 3 3.962 4.041 -0.079 1
1 25 . 15 1 1 A 3 3 GLN CA C 3 59.223 58.857 0.366 1
1 26 . 15 1 1 A 3 3 GLN CB C 3 28.119 27.878 0.241 1
1 28 . 15 1 1 A 3 3 GLN N N 3 117.064 117.844 -0.780 1
1 30 . 15 1 1 A 4 4 GLU H H 4 7.950 8.366 -0.416 1
1 31 . 15 1 1 A 4 4 GLU HA H 4 4.105 4.079 0.026 1
1 36 . 15 1 1 A 4 4 GLU CA C 4 58.778 59.370 -0.592 1
1 37 . 15 1 1 A 4 4 GLU CB C 4 29.734 29.370 0.364 1
1 39 . 15 1 1 A 4 4 GLU N N 4 121.574 121.778 -0.204 1
1 40 . 15 1 1 A 5 5 SER H H 5 8.511 8.015 0.496 1
1 41 . 15 1 1 A 5 5 SER HA H 5 4.238 4.187 0.051 1
1 44 . 15 1 1 A 5 5 SER CA C 5 61.377 61.083 0.294 1
1 45 . 15 1 1 A 5 5 SER CB C 5 62.351 62.575 -0.224 1
1 46 . 15 1 1 A 5 5 SER N N 5 115.674 114.402 1.272 1
1 47 . 15 1 1 A 6 6 ARG H H 6 8.276 7.937 0.339 1
1 48 . 15 1 1 A 6 6 ARG HA H 6 4.324 4.060 0.264 1
1 55 . 15 1 1 A 6 6 ARG CA C 6 58.988 59.320 -0.332 1
1 56 . 15 1 1 A 6 6 ARG CB C 6 30.426 30.025 0.401 1
1 59 . 15 1 1 A 6 6 ARG N N 6 122.441 121.644 0.797 1
1 60 . 15 1 1 A 7 7 ARG H H 7 8.015 7.752 0.263 1
1 61 . 15 1 1 A 7 7 ARG HA H 7 3.955 4.104 -0.149 1
1 68 . 15 1 1 A 7 7 ARG CA C 7 59.724 58.787 0.937 1
1 69 . 15 1 1 A 7 7 ARG CB C 7 29.965 29.969 -0.004 1
1 72 . 15 1 1 A 7 7 ARG N N 7 119.491 119.843 -0.352 1
1 73 . 15 1 1 A 8 8 LEU H H 8 8.158 8.578 -0.420 1
1 74 . 15 1 1 A 8 8 LEU HA H 8 4.161 4.092 0.069 1
1 84 . 15 1 1 A 8 8 LEU CA C 8 57.686 57.673 0.013 1
1 85 . 15 1 1 A 8 8 LEU CB C 8 41.312 41.312 0.000 1
1 89 . 15 1 1 A 8 8 LEU N N 8 120.359 119.749 0.610 1
1 90 . 15 1 1 A 9 9 SER H H 9 8.090 7.794 0.296 1
1 91 . 15 1 1 A 9 9 SER HA H 9 4.292 4.217 0.075 1
1 94 . 15 1 1 A 9 9 SER CA C 9 61.570 61.297 0.273 1
1 95 . 15 1 1 A 9 9 SER CB C 9 62.493 62.817 -0.324 1
1 96 . 15 1 1 A 9 9 SER N N 9 116.178 114.216 1.962 1
1 97 . 15 1 1 A 10 10 ILE H H 10 8.396 7.933 0.463 1
1 98 . 15 1 1 A 10 10 ILE HA H 10 3.505 3.489 0.016 1
1 108 . 15 1 1 A 10 10 ILE CA C 10 65.608 65.179 0.429 1
1 109 . 15 1 1 A 10 10 ILE CB C 10 37.706 37.150 0.556 1
1 113 . 15 1 1 A 10 10 ILE N N 10 122.840 121.732 1.108 1
1 114 . 15 1 1 A 11 11 GLN H H 11 8.142 8.007 0.135 1
1 115 . 15 1 1 A 11 11 GLN HA H 11 4.032 4.028 0.004 1
1 122 . 15 1 1 A 11 11 GLN CA C 11 59.060 59.236 -0.176 1
1 123 . 15 1 1 A 11 11 GLN CB C 11 27.888 28.264 -0.376 1
1 125 . 15 1 1 A 11 11 GLN N N 11 119.144 118.431 0.713 1
1 127 . 15 1 1 A 12 12 ARG H H 12 8.330 7.638 0.692 1
1 128 . 15 1 1 A 12 12 ARG HA H 12 4.179 4.019 0.160 1
1 135 . 15 1 1 A 12 12 ARG CA C 12 59.494 59.356 0.138 1
1 136 . 15 1 1 A 12 12 ARG CB C 12 29.734 30.006 -0.272 1
1 138 . 15 1 1 A 12 12 ARG N N 12 120.186 119.462 0.724 1
1 139 . 15 1 1 A 13 13 CYS H H 13 8.242 7.899 0.343 1
1 140 . 15 1 1 A 13 13 CYS HA H 13 4.231 4.107 0.124 1
1 143 . 15 1 1 A 13 13 CYS CA C 13 63.289 63.923 -0.634 1
1 144 . 15 1 1 A 13 13 CYS CB C 13 26.505 27.154 -0.649 1
1 145 . 15 1 1 A 13 13 CYS N N 13 121.574 120.087 1.487 1
1 146 . 15 1 1 A 14 14 ILE H H 14 8.493 8.474 0.019 1
1 147 . 15 1 1 A 14 14 ILE HA H 14 3.787 3.571 0.216 1
1 157 . 15 1 1 A 14 14 ILE CA C 14 64.269 65.392 -1.123 1
1 158 . 15 1 1 A 14 14 ILE CB C 14 36.597 37.846 -1.249 1
1 162 . 15 1 1 A 14 14 ILE N N 14 120.012 119.742 0.270 1
1 163 . 15 1 1 A 15 15 GLN H H 15 8.468 8.264 0.204 1
1 164 . 15 1 1 A 15 15 GLN HA H 15 4.107 4.030 0.077 1
1 171 . 15 1 1 A 15 15 GLN CA C 15 58.969 59.096 -0.127 1
1 172 . 15 1 1 A 15 15 GLN CB C 15 27.843 28.500 -0.657 1
1 174 . 15 1 1 A 15 15 GLN N N 15 119.665 118.848 0.817 1
1 176 . 15 1 1 A 16 16 SER H H 16 8.409 8.014 0.395 1
1 177 . 15 1 1 A 16 16 SER HA H 16 4.424 4.098 0.326 1
1 180 . 15 1 1 A 16 16 SER CA C 16 61.726 62.482 -0.756 1
1 181 . 15 1 1 A 16 16 SER CB C 16 62.564 62.985 -0.421 1
1 182 . 15 1 1 A 16 16 SER N N 16 117.062 116.183 0.879 1
1 183 . 15 1 1 A 17 17 LEU H H 17 8.235 8.096 0.139 1
1 184 . 15 1 1 A 17 17 LEU HA H 17 4.103 4.070 0.033 1
1 194 . 15 1 1 A 17 17 LEU CA C 17 58.340 57.854 0.486 1
1 195 . 15 1 1 A 17 17 LEU CB C 17 41.961 41.606 0.355 1
1 199 . 15 1 1 A 17 17 LEU N N 17 125.564 122.840 2.724 1
1 200 . 15 1 1 A 18 18 VAL H H 18 8.603 8.259 0.344 1
1 201 . 15 1 1 A 18 18 VAL HA H 18 3.261 3.519 -0.258 1
1 209 . 15 1 1 A 18 18 VAL CA C 18 67.097 66.520 0.577 1
1 210 . 15 1 1 A 18 18 VAL CB C 18 31.589 31.499 0.090 1
1 213 . 15 1 1 A 18 18 VAL N N 18 119.665 118.731 0.934 1
1 214 . 15 1 1 A 19 19 HIS H H 19 8.083 8.277 -0.194 1
1 215 . 15 1 1 A 19 19 HIS HA H 19 4.231 4.156 0.075 1
1 219 . 15 1 1 A 19 19 HIS CA C 19 59.641 60.225 -0.584 1
1 220 . 15 1 1 A 19 19 HIS CB C 19 26.966 29.681 -2.715 1
1 222 . 15 1 1 A 19 19 HIS N N 19 116.094 119.340 -3.246 1
1 223 . 15 1 1 A 20 20 ALA H H 20 8.796 8.402 0.394 1
1 224 . 15 1 1 A 20 20 ALA HA H 20 4.308 4.003 0.305 1
1 228 . 15 1 1 A 20 20 ALA CA C 20 55.341 55.185 0.156 1
1 229 . 15 1 1 A 20 20 ALA CB C 20 20.026 18.252 1.774 1
1 230 . 15 1 1 A 20 20 ALA N N 20 121.747 120.389 1.358 1
1 231 . 15 1 1 A 21 21 CYS H H 21 7.909 7.939 -0.030 1
1 232 . 15 1 1 A 21 21 CYS HA H 21 4.294 4.253 0.041 1
1 235 . 15 1 1 A 21 21 CYS CA C 21 61.665 61.891 -0.226 1
1 236 . 15 1 1 A 21 21 CYS CB C 21 26.764 26.965 -0.201 1
1 237 . 15 1 1 A 21 21 CYS N N 21 111.875 115.824 -3.949 1
1 238 . 15 1 1 A 22 22 GLN H H 22 7.357 7.460 -0.103 1
1 239 . 15 1 1 A 22 22 GLN HA H 22 4.531 4.330 0.201 1
1 246 . 15 1 1 A 22 22 GLN CA C 22 54.445 56.586 -2.141 1
1 247 . 15 1 1 A 22 22 GLN CB C 22 30.608 30.205 0.403 1
1 249 . 15 1 1 A 22 22 GLN N N 22 116.021 116.898 -0.877 1
1 251 . 15 1 1 A 23 23 CYS H H 23 7.229 7.758 -0.529 1
1 252 . 15 1 1 A 23 23 CYS HA H 23 3.947 4.323 -0.376 1
1 255 . 15 1 1 A 23 23 CYS CA C 23 59.996 59.391 0.605 1
1 256 . 15 1 1 A 23 23 CYS CB C 23 29.000 28.460 0.540 1
1 257 . 15 1 1 A 23 23 CYS N N 23 124.350 118.251 6.099 1
1 258 . 15 1 1 A 24 24 ARG H H 24 8.966 8.695 0.271 1
1 259 . 15 1 1 A 24 24 ARG HA H 24 4.590 4.612 -0.022 1
1 266 . 15 1 1 A 24 24 ARG CA C 24 54.306 55.937 -1.631 1
1 267 . 15 1 1 A 24 24 ARG CB C 24 29.771 32.194 -2.423 1
1 270 . 15 1 1 A 24 24 ARG N N 24 129.729 123.361 6.368 1
1 271 . 15 1 1 A 25 25 ASN H H 25 7.823 7.594 0.229 1
1 272 . 15 1 1 A 25 25 ASN HA H 25 4.853 4.626 0.227 1
1 277 . 15 1 1 A 25 25 ASN CA C 25 51.372 53.775 -2.403 1
1 278 . 15 1 1 A 25 25 ASN CB C 25 38.727 38.980 -0.253 1
1 279 . 15 1 1 A 25 25 ASN N N 25 120.186 118.835 1.351 1
1 281 . 15 1 1 A 26 26 ALA H H 26 9.248 8.956 0.292 1
1 282 . 15 1 1 A 26 26 ALA HA H 26 4.091 4.048 0.043 1
1 286 . 15 1 1 A 26 26 ALA CA C 26 54.027 54.655 -0.628 1
1 287 . 15 1 1 A 26 26 ALA CB C 26 18.209 18.502 -0.293 1
1 288 . 15 1 1 A 26 26 ALA N N 26 130.423 126.049 4.374 1
1 289 . 15 1 1 A 27 27 ASN H H 27 8.085 8.041 0.044 1
1 290 . 15 1 1 A 27 27 ASN HA H 27 4.834 4.974 -0.140 1
1 295 . 15 1 1 A 27 27 ASN CA C 27 51.625 52.141 -0.516 1
1 296 . 15 1 1 A 27 27 ASN CB C 27 38.577 39.367 -0.790 1
1 297 . 15 1 1 A 27 27 ASN N N 27 113.766 114.518 -0.752 1
1 299 . 15 1 1 A 28 28 CYS H H 28 7.209 7.041 0.168 1
1 300 . 15 1 1 A 28 28 CYS HA H 28 4.053 4.323 -0.270 1
1 303 . 15 1 1 A 28 28 CYS CA C 28 61.312 59.862 1.450 1
1 304 . 15 1 1 A 28 28 CYS CB C 28 29.674 28.834 0.840 1
1 305 . 15 1 1 A 28 28 CYS N N 28 123.309 120.627 2.682 1
1 306 . 15 1 1 A 29 29 SER H H 29 8.922 8.614 0.308 1
1 307 . 15 1 1 A 29 29 SER HA H 29 4.609 4.184 0.425 1
1 310 . 15 1 1 A 29 29 SER CA C 29 57.450 60.953 -3.503 1
1 311 . 15 1 1 A 29 29 SER CB C 29 63.604 62.836 0.768 1
1 312 . 15 1 1 A 29 29 SER N N 29 124.870 120.029 4.841 1
1 313 . 15 1 1 A 30 30 LEU H H 30 8.513 7.590 0.923 1
1 314 . 15 1 1 A 30 30 LEU HA H 30 4.497 4.393 0.104 1
1 324 . 15 1 1 A 30 30 LEU CA C 30 53.980 52.750 1.230 1
1 325 . 15 1 1 A 30 30 LEU CB C 30 40.643 41.650 -1.007 1
1 329 . 15 1 1 A 30 30 LEU N N 30 128.341 125.056 3.285 1
1 330 . 15 1 1 A 31 31 PRO HA H 31 4.329 4.264 0.065 1
1 337 . 15 1 1 A 31 31 PRO CA C 31 65.026 64.935 0.091 1
1 338 . 15 1 1 A 31 31 PRO CB C 31 31.580 31.950 -0.370 1
1 341 . 15 1 1 A 32 32 SER H H 32 8.537 8.078 0.459 1
1 342 . 15 1 1 A 32 32 SER HA H 32 4.287 4.201 0.086 1
1 345 . 15 1 1 A 32 32 SER CA C 32 60.277 61.532 -1.255 1
1 346 . 15 1 1 A 32 32 SER CB C 32 62.277 62.679 -0.402 1
1 347 . 15 1 1 A 32 32 SER N N 32 112.551 113.724 -1.173 1
1 348 . 15 1 1 A 33 33 CYS H H 33 7.523 8.090 -0.567 1
1 349 . 15 1 1 A 33 33 CYS HA H 33 4.170 3.907 0.263 1
1 352 . 15 1 1 A 33 33 CYS CA C 33 63.408 62.798 0.610 1
1 353 . 15 1 1 A 33 33 CYS CB C 33 29.503 26.494 3.009 1
1 354 . 15 1 1 A 33 33 CYS N N 33 126.085 121.067 5.018 1
1 355 . 15 1 1 A 34 34 GLN H H 34 8.102 7.836 0.266 1
1 356 . 15 1 1 A 34 34 GLN HA H 34 3.963 4.069 -0.106 1
1 359 . 15 1 1 A 34 34 GLN N N 34 115.711 119.022 -3.311 1
1 361 . 15 1 1 A 35 35 LYS H H 35 8.093 7.748 0.345 1
1 362 . 15 1 1 A 35 35 LYS HA H 35 3.994 4.154 -0.160 1
1 371 . 15 1 1 A 35 35 LYS CA C 35 59.502 59.174 0.328 1
1 372 . 15 1 1 A 35 35 LYS CB C 35 32.273 32.413 -0.140 1
1 376 . 15 1 1 A 35 35 LYS N N 35 117.930 121.129 -3.199 1
1 377 . 15 1 1 A 36 36 MET H H 36 8.237 8.645 -0.408 1
1 378 . 15 1 1 A 36 36 MET HA H 36 4.488 4.078 0.410 1
1 386 . 15 1 1 A 36 36 MET CA C 36 56.725 59.359 -2.634 1
1 387 . 15 1 1 A 36 36 MET CB C 36 30.954 32.699 -1.745 1
1 390 . 15 1 1 A 36 36 MET N N 36 117.062 118.594 -1.532 1
1 391 . 15 1 1 A 37 37 LYS H H 37 9.107 8.118 0.989 1
1 392 . 15 1 1 A 37 37 LYS HA H 37 3.900 4.002 -0.102 1
1 401 . 15 1 1 A 37 37 LYS CA C 37 61.097 59.991 1.106 1
1 402 . 15 1 1 A 37 37 LYS CB C 37 32.947 32.307 0.640 1
1 406 . 15 1 1 A 37 37 LYS N N 37 120.186 118.969 1.217 1
1 407 . 15 1 1 A 38 38 ARG H H 38 7.781 7.379 0.402 1
1 408 . 15 1 1 A 38 38 ARG HA H 38 4.127 4.095 0.032 1
1 413 . 15 1 1 A 38 38 ARG CA C 38 59.263 59.262 0.001 1
1 414 . 15 1 1 A 38 38 ARG CB C 38 29.965 29.984 -0.019 1
1 416 . 15 1 1 A 38 38 ARG N N 38 118.971 119.353 -0.382 1
1 417 . 15 1 1 A 39 39 VAL H H 39 8.289 7.894 0.395 1
1 418 . 15 1 1 A 39 39 VAL HA H 39 3.539 3.675 -0.136 1
1 426 . 15 1 1 A 39 39 VAL CA C 39 66.989 66.487 0.502 1
1 427 . 15 1 1 A 39 39 VAL CB C 39 31.451 31.653 -0.202 1
1 430 . 15 1 1 A 39 39 VAL N N 39 123.829 119.835 3.994 1
1 431 . 15 1 1 A 40 40 VAL H H 40 8.318 8.419 -0.101 1
1 432 . 15 1 1 A 40 40 VAL HA H 40 3.528 3.799 -0.271 1
1 440 . 15 1 1 A 40 40 VAL CA C 40 67.050 65.278 1.772 1
1 441 . 15 1 1 A 40 40 VAL CB C 40 31.608 31.329 0.279 1
1 444 . 15 1 1 A 40 40 VAL N N 40 119.665 120.393 -0.728 1
1 445 . 15 1 1 A 41 41 GLN H H 41 8.263 8.123 0.140 1
1 446 . 15 1 1 A 41 41 GLN HA H 41 3.974 3.929 0.045 1
1 453 . 15 1 1 A 41 41 GLN CA C 41 58.571 59.261 -0.690 1
1 454 . 15 1 1 A 41 41 GLN CB C 41 28.018 28.561 -0.543 1
1 456 . 15 1 1 A 41 41 GLN N N 41 118.450 122.099 -3.649 1
1 458 . 15 1 1 A 42 42 HIS H H 42 8.309 8.140 0.169 1
1 459 . 15 1 1 A 42 42 HIS HA H 42 4.215 4.323 -0.108 1
1 463 . 15 1 1 A 42 42 HIS CA C 42 59.402 59.423 -0.021 1
1 464 . 15 1 1 A 42 42 HIS CB C 42 26.966 30.458 -3.492 1
1 466 . 15 1 1 A 42 42 HIS N N 42 118.971 119.880 -0.909 1
1 467 . 15 1 1 A 43 43 THR H H 43 8.056 8.218 -0.162 1
1 468 . 15 1 1 A 43 43 THR HA H 43 3.929 3.702 0.227 1
1 474 . 15 1 1 A 43 43 THR CA C 43 66.101 67.174 -1.073 1
1 475 . 15 1 1 A 43 43 THR CB C 43 69.107 68.283 0.824 1
1 477 . 15 1 1 A 43 43 THR N N 43 114.320 113.420 0.900 1
1 478 . 15 1 1 A 44 44 LYS H H 44 7.531 7.938 -0.407 1
1 479 . 15 1 1 A 44 44 LYS HA H 44 4.085 4.135 -0.050 1
1 488 . 15 1 1 A 44 44 LYS CA C 44 58.682 59.215 -0.533 1
1 489 . 15 1 1 A 44 44 LYS CB C 44 32.024 32.523 -0.499 1
1 493 . 15 1 1 A 44 44 LYS N N 44 120.012 119.308 0.704 1
1 494 . 15 1 1 A 45 45 GLY H H 45 7.143 7.764 -0.621 1
1 495 . 15 1 1 A 45 45 GLY HA2 H 45 3.625 4.043 -0.418 1
1 496 . 15 1 1 A 45 45 GLY HA3 H 45 4.387 4.062 0.325 1
1 497 . 15 1 1 A 45 45 GLY CA C 45 44.289 45.257 -0.968 1
1 498 . 15 1 1 A 45 45 GLY N N 45 103.528 106.920 -3.392 1
1 499 . 15 1 1 A 46 46 CYS H H 46 6.988 7.278 -0.290 1
1 500 . 15 1 1 A 46 46 CYS HA H 46 3.955 4.411 -0.456 1
1 503 . 15 1 1 A 46 46 CYS CA C 46 60.654 58.891 1.763 1
1 504 . 15 1 1 A 46 46 CYS CB C 46 29.793 28.476 1.317 1
1 505 . 15 1 1 A 46 46 CYS N N 46 123.656 120.057 3.599 1
1 506 . 15 1 1 A 47 47 LYS H H 47 9.060 8.839 0.221 1
1 507 . 15 1 1 A 47 47 LYS HA H 47 4.489 4.566 -0.077 1
1 516 . 15 1 1 A 47 47 LYS CA C 47 56.127 56.068 0.059 1
1 517 . 15 1 1 A 47 47 LYS CB C 47 32.393 33.236 -0.843 1
1 521 . 15 1 1 A 47 47 LYS N N 47 127.820 124.425 3.395 1
1 522 . 15 1 1 A 48 48 ARG H H 48 8.537 7.722 0.815 1
1 523 . 15 1 1 A 48 48 ARG HA H 48 4.330 4.278 0.052 1
1 530 . 15 1 1 A 48 48 ARG CA C 48 57.648 58.335 -0.687 1
1 531 . 15 1 1 A 48 48 ARG CB C 48 31.810 30.748 1.062 1
1 534 . 15 1 1 A 48 48 ARG N N 48 122.615 117.381 5.234 1
1 535 . 15 1 1 A 49 49 LYS H H 49 8.522 7.796 0.726 1
1 536 . 15 1 1 A 49 49 LYS HA H 49 4.554 4.245 0.309 1
1 545 . 15 1 1 A 49 49 LYS CA C 49 57.417 56.765 0.652 1
1 546 . 15 1 1 A 49 49 LYS CB C 49 31.543 31.970 -0.427 1
1 550 . 15 1 1 A 49 49 LYS N N 49 117.583 119.293 -1.710 1
1 551 . 15 1 1 A 50 50 THR H H 50 7.992 8.859 -0.867 1
1 552 . 15 1 1 A 50 50 THR HA H 50 4.127 3.962 0.165 1
1 557 . 15 1 1 A 50 50 THR CA C 50 63.985 65.178 -1.193 1
1 558 . 15 1 1 A 50 50 THR CB C 50 68.157 68.415 -0.258 1
1 560 . 15 1 1 A 50 50 THR N N 50 113.245 113.447 -0.202 1
1 561 . 15 1 1 A 51 51 ASN H H 51 8.888 8.215 0.673 1
1 562 . 15 1 1 A 51 51 ASN HA H 51 4.665 4.614 0.051 1
1 567 . 15 1 1 A 51 51 ASN CA C 51 54.159 55.493 -1.334 1
1 568 . 15 1 1 A 51 51 ASN CB C 51 37.857 38.297 -0.440 1
1 570 . 15 1 1 A 52 52 GLY H H 52 7.972 7.716 0.256 1
1 571 . 15 1 1 A 52 52 GLY HA2 H 52 3.893 4.115 -0.222 1
1 572 . 15 1 1 A 52 52 GLY HA3 H 52 4.101 4.118 -0.017 1
1 573 . 15 1 1 A 52 52 GLY CA C 52 45.368 45.478 -0.110 1
1 574 . 15 1 1 A 52 52 GLY N N 52 106.651 106.609 0.042 1
1 575 . 15 1 1 A 53 53 GLY H H 53 7.765 8.052 -0.287 1
1 576 . 15 1 1 A 53 53 GLY HA2 H 53 3.837 4.069 -0.232 1
1 577 . 15 1 1 A 53 53 GLY HA3 H 53 4.079 4.070 0.009 1
1 578 . 15 1 1 A 53 53 GLY CA C 53 45.227 44.944 0.283 1
1 579 . 15 1 1 A 53 53 GLY N N 53 107.519 106.479 1.040 1
1 580 . 15 1 1 A 54 54 CYS H H 54 8.099 7.754 0.345 1
1 581 . 15 1 1 A 54 54 CYS HA H 54 4.720 4.521 0.199 1
1 584 . 15 1 1 A 54 54 CYS CA C 54 55.572 57.289 -1.717 1
1 585 . 15 1 1 A 54 54 CYS CB C 54 30.216 28.650 1.566 1
1 586 . 15 1 1 A 54 54 CYS N N 54 122.615 119.718 2.897 1
1 587 . 15 1 1 A 55 55 PRO HA H 55 4.237 4.455 -0.218 1
1 594 . 15 1 1 A 55 55 PRO CA C 55 64.757 64.228 0.529 1
1 595 . 15 1 1 A 55 55 PRO CB C 55 32.311 31.969 0.342 1
1 598 . 15 1 1 A 56 56 VAL H H 56 7.645 7.182 0.463 1
1 599 . 15 1 1 A 56 56 VAL HA H 56 3.384 3.735 -0.351 1
1 607 . 15 1 1 A 56 56 VAL CA C 56 66.184 65.744 0.440 1
1 608 . 15 1 1 A 56 56 VAL CB C 56 32.502 31.526 0.976 1
1 611 . 15 1 1 A 56 56 VAL N N 56 121.227 116.716 4.511 1
1 612 . 15 1 1 A 57 57 CYS H H 57 8.565 7.916 0.649 1
1 613 . 15 1 1 A 57 57 CYS HA H 57 4.034 4.032 0.002 1
1 616 . 15 1 1 A 57 57 CYS CA C 57 65.746 63.671 2.075 1
1 617 . 15 1 1 A 57 57 CYS CB C 57 29.273 27.038 2.235 1
1 618 . 15 1 1 A 57 57 CYS N N 57 122.615 117.719 4.896 1
1 619 . 15 1 1 A 58 58 LYS H H 58 7.956 7.771 0.185 1
1 620 . 15 1 1 A 58 58 LYS HA H 58 3.874 3.948 -0.074 1
1 629 . 15 1 1 A 58 58 LYS CA C 58 59.955 59.490 0.465 1
1 630 . 15 1 1 A 58 58 LYS CB C 58 32.272 32.071 0.201 1
1 634 . 15 1 1 A 58 58 LYS N N 58 116.889 119.732 -2.843 1
1 635 . 15 1 1 A 59 59 GLN H H 59 7.359 7.652 -0.293 1
1 636 . 15 1 1 A 59 59 GLN HA H 59 3.789 4.021 -0.232 1
1 643 . 15 1 1 A 59 59 GLN CA C 59 60.647 58.762 1.885 1
1 644 . 15 1 1 A 59 59 GLN CB C 59 27.196 28.143 -0.947 1
1 646 . 15 1 1 A 59 59 GLN N N 59 116.889 119.484 -2.595 1
1 648 . 15 1 1 A 60 60 LEU H H 60 8.303 7.453 0.850 1
1 649 . 15 1 1 A 60 60 LEU HA H 60 4.093 3.953 0.140 1
1 659 . 15 1 1 A 60 60 LEU CA C 60 58.110 57.958 0.152 1
1 660 . 15 1 1 A 60 60 LEU CB C 60 40.807 41.091 -0.284 1
1 664 . 15 1 1 A 60 60 LEU N N 60 118.103 119.715 -1.612 1
1 665 . 15 1 1 A 61 61 ILE H H 61 8.804 7.962 0.842 1
1 666 . 15 1 1 A 61 61 ILE HA H 61 3.801 3.393 0.408 1
1 676 . 15 1 1 A 61 61 ILE CA C 61 63.416 66.112 -2.696 1
1 677 . 15 1 1 A 61 61 ILE CB C 61 36.886 37.710 -0.824 1
1 681 . 15 1 1 A 61 61 ILE N N 61 118.624 119.495 -0.871 1
1 682 . 15 1 1 A 62 62 ALA H H 62 7.796 7.865 -0.069 1
1 683 . 15 1 1 A 62 62 ALA HA H 62 4.058 4.116 -0.058 1
1 687 . 15 1 1 A 62 62 ALA CA C 62 56.030 55.316 0.714 1
1 688 . 15 1 1 A 62 62 ALA CB C 62 18.068 18.079 -0.011 1
1 689 . 15 1 1 A 62 62 ALA N N 62 124.003 122.616 1.387 1
1 690 . 15 1 1 A 63 63 LEU H H 63 8.011 7.734 0.277 1
1 691 . 15 1 1 A 63 63 LEU HA H 63 4.077 4.083 -0.006 1
1 701 . 15 1 1 A 63 63 LEU CA C 63 58.110 57.843 0.267 1
1 702 . 15 1 1 A 63 63 LEU CB C 63 42.116 41.332 0.784 1
1 706 . 15 1 1 A 63 63 LEU N N 63 117.583 119.335 -1.752 1
1 707 . 15 1 1 A 64 64 CYS H H 64 8.818 8.654 0.164 1
1 708 . 15 1 1 A 64 64 CYS HA H 64 4.053 4.307 -0.254 1
1 711 . 15 1 1 A 64 64 CYS CA C 64 64.800 62.787 2.013 1
1 712 . 15 1 1 A 64 64 CYS CB C 64 26.504 27.057 -0.553 1
1 713 . 15 1 1 A 64 64 CYS N N 64 118.277 116.953 1.324 1
1 714 . 15 1 1 A 65 65 CYS H H 65 8.793 8.516 0.277 1
1 715 . 15 1 1 A 65 65 CYS HA H 65 4.258 4.128 0.130 1
1 718 . 15 1 1 A 65 65 CYS CA C 65 63.646 63.624 0.022 1
1 719 . 15 1 1 A 65 65 CYS CB C 65 26.966 27.454 -0.488 1
1 720 . 15 1 1 A 65 65 CYS N N 65 118.971 119.292 -0.321 1
1 721 . 15 1 1 A 66 66 TYR H H 66 8.369 8.294 0.075 1
1 722 . 15 1 1 A 66 66 TYR HA H 66 4.034 4.217 -0.183 1
1 729 . 15 1 1 A 66 66 TYR CA C 66 60.886 61.803 -0.917 1
1 730 . 15 1 1 A 66 66 TYR CB C 66 37.808 38.390 -0.582 1
1 733 . 15 1 1 A 66 66 TYR N N 66 121.574 122.487 -0.913 1
1 734 . 15 1 1 A 67 67 HIS H H 67 8.633 7.932 0.701 1
1 735 . 15 1 1 A 67 67 HIS HA H 67 4.318 4.339 -0.021 1
1 740 . 15 1 1 A 67 67 HIS CA C 67 58.998 60.233 -1.235 1
1 741 . 15 1 1 A 67 67 HIS CB C 67 27.409 30.080 -2.671 1
1 744 . 15 1 1 A 67 67 HIS N N 67 117.409 119.066 -1.657 1
1 745 . 15 1 1 A 68 68 ALA H H 68 8.725 8.735 -0.010 1
1 746 . 15 1 1 A 68 68 ALA HA H 68 4.019 3.913 0.106 1
1 750 . 15 1 1 A 68 68 ALA CA C 68 54.690 55.183 -0.493 1
1 751 . 15 1 1 A 68 68 ALA CB C 68 19.964 18.457 1.507 1
1 752 . 15 1 1 A 68 68 ALA N N 68 122.094 120.781 1.313 1
1 753 . 15 1 1 A 69 69 LYS H H 69 7.362 7.895 -0.533 1
1 754 . 15 1 1 A 69 69 LYS HA H 69 3.736 3.855 -0.119 1
1 763 . 15 1 1 A 69 69 LYS CA C 69 58.137 59.078 -0.941 1
1 764 . 15 1 1 A 69 69 LYS CB C 69 32.224 32.086 0.138 1
1 768 . 15 1 1 A 69 69 LYS N N 69 114.807 117.869 -3.062 1
1 769 . 15 1 1 A 70 70 HIS H H 70 7.011 7.477 -0.466 1
1 770 . 15 1 1 A 70 70 HIS HA H 70 4.697 4.353 0.344 1
1 774 . 15 1 1 A 70 70 HIS CA C 70 54.835 57.831 -2.996 1
1 775 . 15 1 1 A 70 70 HIS CB C 70 30.477 30.836 -0.359 1
1 777 . 15 1 1 A 70 70 HIS N N 70 112.898 113.574 -0.676 1
1 778 . 15 1 1 A 71 71 CYS H H 71 7.012 7.481 -0.469 1
1 779 . 15 1 1 A 71 71 CYS HA H 71 4.032 4.172 -0.140 1
1 782 . 15 1 1 A 71 71 CYS CA C 71 59.948 60.100 -0.152 1
1 783 . 15 1 1 A 71 71 CYS CB C 71 29.752 27.789 1.963 1
1 784 . 15 1 1 A 71 71 CYS N N 71 123.829 117.289 6.540 1
1 785 . 15 1 1 A 72 72 GLN H H 72 9.181 8.717 0.464 1
1 786 . 15 1 1 A 72 72 GLN HA H 72 4.674 4.564 0.110 1
1 793 . 15 1 1 A 72 72 GLN CA C 72 54.224 55.567 -1.343 1
1 794 . 15 1 1 A 72 72 GLN CB C 72 29.049 30.104 -1.055 1
1 796 . 15 1 1 A 72 72 GLN N N 72 128.341 122.685 5.656 1
1 798 . 15 1 1 A 73 73 GLU H H 73 8.396 7.255 1.141 1
1 799 . 15 1 1 A 73 73 GLU HA H 73 4.389 4.404 -0.015 1
1 804 . 15 1 1 A 73 73 GLU CA C 73 55.341 56.591 -1.250 1
1 805 . 15 1 1 A 73 73 GLU CB C 73 30.239 31.070 -0.831 1
1 807 . 15 1 1 A 73 73 GLU N N 73 123.309 122.815 0.494 1
1 808 . 15 1 1 A 74 74 ASN H H 74 8.921 8.545 0.376 1
1 809 . 15 1 1 A 74 74 ASN HA H 74 4.538 5.075 -0.537 1
1 814 . 15 1 1 A 74 74 ASN CA C 74 54.666 52.643 2.023 1
1 815 . 15 1 1 A 74 74 ASN CB C 74 38.301 39.224 -0.923 1
1 816 . 15 1 1 A 74 74 ASN N N 74 124.870 121.339 3.531 1
1 818 . 15 1 1 A 75 75 LYS H H 75 8.847 7.845 1.002 1
1 819 . 15 1 1 A 75 75 LYS HA H 75 4.442 4.635 -0.193 1
1 828 . 15 1 1 A 75 75 LYS CA C 75 54.327 55.226 -0.899 1
1 829 . 15 1 1 A 75 75 LYS CB C 75 30.837 33.169 -2.332 1
1 833 . 15 1 1 A 75 75 LYS N N 75 121.574 116.985 4.589 1
1 834 . 15 1 1 A 76 76 CYS H H 76 7.191 7.342 -0.151 1
1 835 . 15 1 1 A 76 76 CYS HA H 76 4.389 4.415 -0.026 1
1 838 . 15 1 1 A 76 76 CYS CA C 76 57.270 57.836 -0.566 1
1 839 . 15 1 1 A 76 76 CYS CB C 76 30.613 28.219 2.394 1
1 840 . 15 1 1 A 76 76 CYS N N 76 124.350 121.172 3.178 1
1 841 . 15 1 1 A 77 77 PRO HA H 77 4.673 4.438 0.235 1
1 848 . 15 1 1 A 77 77 PRO CA C 77 62.878 64.293 -1.415 1
1 849 . 15 1 1 A 77 77 PRO CB C 77 31.950 31.963 -0.013 1
1 852 . 15 1 1 A 78 78 VAL H H 78 8.974 7.750 1.224 1
1 853 . 15 1 1 A 78 78 VAL HA H 78 4.187 4.197 -0.010 1
1 861 . 15 1 1 A 78 78 VAL CA C 78 61.637 60.956 0.681 1
1 862 . 15 1 1 A 78 78 VAL CB C 78 31.654 32.116 -0.462 1
1 865 . 15 1 1 A 78 78 VAL N N 78 128.688 119.553 9.135 1
1 866 . 15 1 1 A 79 79 PRO HA H 79 3.938 4.226 -0.288 1
1 873 . 15 1 1 A 79 79 PRO CA C 79 63.962 64.962 -1.000 1
1 874 . 15 1 1 A 79 79 PRO CB C 79 30.887 31.959 -1.072 1
1 877 . 15 1 1 A 80 80 PHE HA H 80 4.350 4.270 0.080 1
1 884 . 15 1 1 A 80 80 PHE CA C 80 59.032 60.232 -1.200 1
1 885 . 15 1 1 A 80 80 PHE CB C 80 37.686 38.325 -0.639 1
1 888 . 15 1 1 A 81 81 CYS H H 81 7.686 8.233 -0.547 1
1 889 . 15 1 1 A 81 81 CYS HA H 81 4.001 4.119 -0.118 1
1 892 . 15 1 1 A 81 81 CYS CA C 81 64.779 62.483 2.296 1
1 893 . 15 1 1 A 81 81 CYS CB C 81 29.524 26.472 3.052 1
1 894 . 15 1 1 A 81 81 CYS N N 81 124.176 118.699 5.477 1
1 895 . 15 1 1 A 82 82 LEU H H 82 8.267 8.231 0.036 1
1 896 . 15 1 1 A 82 82 LEU HA H 82 4.010 3.647 0.363 1
1 906 . 15 1 1 A 82 82 LEU CA C 82 58.340 57.870 0.470 1
1 907 . 15 1 1 A 82 82 LEU CB C 82 40.862 41.197 -0.335 1
1 911 . 15 1 1 A 82 82 LEU N N 82 114.980 121.104 -6.124 1
1 912 . 15 1 1 A 83 83 ASN H H 83 7.917 8.134 -0.217 1
1 913 . 15 1 1 A 83 83 ASN HA H 83 4.490 4.531 -0.041 1
1 918 . 15 1 1 A 83 83 ASN CA C 83 56.061 56.386 -0.325 1
1 919 . 15 1 1 A 83 83 ASN CB C 83 38.494 38.439 0.055 1
1 920 . 15 1 1 A 83 83 ASN N N 83 116.542 117.188 -0.646 1
1 922 . 15 1 1 A 84 84 ILE H H 84 8.788 8.141 0.647 1
1 923 . 15 1 1 A 84 84 ILE HA H 84 3.734 3.730 0.004 1
1 933 . 15 1 1 A 84 84 ILE CA C 84 65.142 65.008 0.134 1
1 934 . 15 1 1 A 84 84 ILE CB C 84 38.039 37.541 0.498 1
1 938 . 15 1 1 A 84 84 ILE N N 84 121.747 120.639 1.108 1
1 939 . 15 1 1 A 85 85 LYS H H 85 8.954 8.600 0.354 1
1 940 . 15 1 1 A 85 85 LYS HA H 85 3.839 3.992 -0.153 1
1 949 . 15 1 1 A 85 85 LYS CA C 85 60.936 59.458 1.478 1
1 950 . 15 1 1 A 85 85 LYS CB C 85 32.041 32.201 -0.160 1
1 954 . 15 1 1 A 85 85 LYS N N 85 119.665 120.761 -1.096 1
1 955 . 15 1 1 A 86 86 HIS H H 86 8.043 7.945 0.098 1
1 956 . 15 1 1 A 86 86 HIS HA H 86 4.411 4.327 0.084 1
1 960 . 15 1 1 A 86 86 HIS CA C 86 58.746 59.282 -0.536 1
1 961 . 15 1 1 A 86 86 HIS CB C 86 30.067 29.903 0.164 1
1 963 . 15 1 1 A 86 86 HIS N N 86 116.542 118.304 -1.762 1
1 964 . 15 1 1 A 87 87 LYS H H 87 7.822 7.772 0.050 1
1 965 . 15 1 1 A 87 87 LYS HA H 87 4.158 4.130 0.028 1
1 968 . 15 1 1 A 87 87 LYS CA C 87 57.879 59.059 -1.180 1
1 969 . 15 1 1 A 87 87 LYS N N 87 119.318 119.787 -0.469 1
1 970 . 15 1 1 A 88 88 LEU H H 88 8.405 8.632 -0.227 1
1 971 . 15 1 1 A 88 88 LEU HA H 88 4.194 4.035 0.159 1
1 981 . 15 1 1 A 88 88 LEU CA C 88 56.289 57.892 -1.603 1
1 982 . 15 1 1 A 88 88 LEU CB C 88 41.692 41.018 0.674 1
1 986 . 15 1 1 A 88 88 LEU N N 88 119.144 119.795 -0.651 1
1 987 . 15 1 1 A 89 89 ARG H H 89 7.826 8.216 -0.390 1
1 988 . 15 1 1 A 89 89 ARG HA H 89 4.271 4.146 0.125 1
1 995 . 15 1 1 A 89 89 ARG CA C 89 56.666 59.045 -2.379 1
1 996 . 15 1 1 A 89 89 ARG CB C 89 29.965 30.177 -0.212 1
1 999 . 15 1 1 A 89 89 ARG N N 89 118.450 117.763 0.687 1
1 1000 . 15 1 1 A 90 90 GLN H H 90 7.935 7.819 0.116 1
1 1001 . 15 1 1 A 90 90 GLN HA H 90 4.270 4.515 -0.245 1
1 1008 . 15 1 1 A 90 90 GLN CA C 90 55.840 54.964 0.876 1
1 1009 . 15 1 1 A 90 90 GLN CB C 90 28.989 29.842 -0.853 1
1 1011 . 15 1 1 A 90 90 GLN N N 90 119.318 116.943 2.375 1
1 1013 . 15 1 1 A 91 91 GLN H H 91 8.141 7.253 0.888 1
1 1014 . 15 1 1 A 91 91 GLN HA H 91 4.352 4.262 0.090 1
1 1021 . 15 1 1 A 91 91 GLN CA C 91 55.581 56.303 -0.722 1
1 1022 . 15 1 1 A 91 91 GLN CB C 91 29.284 29.127 0.157 1
1 1024 . 15 1 1 A 91 91 GLN N N 91 120.706 119.259 1.447 1
1 1043 . 15 2 2 B 2 2 SER CB C 707 63.646 63.034 0.612 1
1 1044 . 15 2 2 B 3 3 HIS HA H 708 4.663 4.422 0.241 1
1 1047 . 15 2 2 B 3 3 HIS CA C 708 56.033 58.178 -2.145 1
1 1048 . 15 2 2 B 3 3 HIS CB C 708 30.146 28.650 1.496 1
1 1053 . 15 2 2 B 5 5 SER H H 710 8.437 8.493 -0.056 1
1 1054 . 15 2 2 B 5 5 SER HA H 710 4.429 4.238 0.191 1
1 1057 . 15 2 2 B 5 5 SER CA C 710 58.340 60.665 -2.325 1
1 1058 . 15 2 2 B 5 5 SER CB C 710 63.416 62.990 0.426 1
1 1059 . 15 2 2 B 5 5 SER N N 710 117.160 113.428 3.732 1
1 1060 . 15 2 2 B 6 6 GLU H H 711 8.458 7.540 0.918 1
1 1061 . 15 2 2 B 6 6 GLU HA H 711 4.311 4.441 -0.130 1
1 1066 . 15 2 2 B 6 6 GLU CA C 711 56.033 55.226 0.807 1
1 1067 . 15 2 2 B 6 6 GLU CB C 711 30.223 30.833 -0.610 1
1 1069 . 15 2 2 B 6 6 GLU N N 711 123.053 119.222 3.831 1
1 1070 . 15 2 2 B 7 7 VAL H H 712 8.150 7.902 0.248 1
1 1071 . 15 2 2 B 7 7 VAL HA H 712 4.050 3.787 0.263 1
1 1079 . 15 2 2 B 7 7 VAL CA C 712 61.801 63.190 -1.389 1
1 1080 . 15 2 2 B 7 7 VAL CB C 712 32.041 29.551 2.490 1
1 1083 . 15 2 2 B 7 7 VAL N N 712 121.173 118.204 2.969 1
1 1084 . 15 2 2 B 8 8 HIS H H 713 8.495 7.901 0.594 1
1 1085 . 15 2 2 B 8 8 HIS HA H 713 4.914 5.051 -0.137 1
1 1089 . 15 2 2 B 8 8 HIS CA C 713 53.945 53.074 0.871 1
1 1090 . 15 2 2 B 8 8 HIS CB C 713 30.218 29.783 0.435 1
1 1092 . 15 2 2 B 8 8 HIS N N 713 125.310 121.038 4.272 1
1 1093 . 15 2 2 B 9 9 PRO HA H 714 4.430 4.534 -0.104 1
1 1100 . 15 2 2 B 9 9 PRO CA C 714 63.409 62.522 0.887 1
1 1101 . 15 2 2 B 9 9 PRO CB C 714 32.018 32.627 -0.609 1
1 1104 . 15 2 2 B 10 10 SER H H 715 8.889 8.585 0.304 1
1 1105 . 15 2 2 B 10 10 SER HA H 715 4.437 4.315 0.122 1
1 1108 . 15 2 2 B 10 10 SER CA C 715 58.571 60.447 -1.876 1
1 1109 . 15 2 2 B 10 10 SER CB C 715 63.213 61.945 1.268 1
1 1110 . 15 2 2 B 10 10 SER N N 715 116.533 113.320 3.213 1
1 1111 . 15 2 2 B 11 11 ARG H H 716 8.442 8.648 -0.206 1
1 1112 . 15 2 2 B 11 11 ARG HA H 716 4.388 4.535 -0.147 1
1 1119 . 15 2 2 B 11 11 ARG CA C 716 55.882 55.912 -0.030 1
1 1120 . 15 2 2 B 11 11 ARG CB C 716 30.395 32.391 -1.996 1
1 1123 . 15 2 2 B 11 11 ARG N N 716 122.803 124.113 -1.310 1
1 1124 . 15 2 2 B 12 12 LEU H H 717 8.133 7.510 0.623 1
1 1125 . 15 2 2 B 12 12 LEU HA H 717 4.356 4.963 -0.607 1
1 1135 . 15 2 2 B 12 12 LEU CA C 717 54.880 53.548 1.332 1
1 1136 . 15 2 2 B 12 12 LEU CB C 717 42.081 47.538 -5.457 1
1 1140 . 15 2 2 B 12 12 LEU N N 717 122.552 120.119 2.433 1
1 1141 . 15 2 2 B 13 13 GLN H H 718 8.440 8.680 -0.240 1
1 1142 . 15 2 2 B 13 13 GLN HA H 718 4.454 4.730 -0.276 1
1 1149 . 15 2 2 B 13 13 GLN CA C 718 55.341 53.769 1.572 1
1 1150 . 15 2 2 B 13 13 GLN CB C 718 29.285 32.091 -2.806 1
1 1152 . 15 2 2 B 13 13 GLN N N 718 121.298 119.726 1.572 1
1 1154 . 15 2 2 B 14 14 THR H H 719 8.257 8.457 -0.200 1
1 1155 . 15 2 2 B 14 14 THR HA H 719 4.438 3.801 0.637 1
1 1160 . 15 2 2 B 14 14 THR CA C 719 61.339 62.518 -1.179 1
1 1161 . 15 2 2 B 14 14 THR CB C 719 69.456 67.050 2.406 1
1 1163 . 15 2 2 B 14 14 THR N N 719 115.154 111.066 4.088 1
1 1164 . 15 2 2 B 15 15 THR H H 720 8.240 7.947 0.293 1
1 1165 . 15 2 2 B 15 15 THR HA H 720 4.275 4.263 0.012 1
1 1170 . 15 2 2 B 15 15 THR CA C 720 61.967 64.057 -2.090 1
1 1171 . 15 2 2 B 15 15 THR CB C 720 69.183 69.426 -0.243 1
1 1173 . 15 2 2 B 15 15 THR N N 720 115.029 115.555 -0.526 1
1 1174 . 15 2 2 B 16 16 ASP H H 721 8.293 8.855 -0.562 1
1 1175 . 15 2 2 B 16 16 ASP HA H 721 4.494 4.819 -0.325 1
1 1178 . 15 2 2 B 16 16 ASP CA C 721 54.880 52.861 2.019 1
1 1179 . 15 2 2 B 16 16 ASP CB C 721 40.891 44.397 -3.506 1
1 1180 . 15 2 2 B 16 16 ASP N N 721 122.427 125.063 -2.636 1
1 1181 . 15 2 2 B 17 17 ASN H H 722 8.272 9.195 -0.923 1
1 1182 . 15 2 2 B 17 17 ASN HA H 722 4.577 4.520 0.057 1
1 1187 . 15 2 2 B 17 17 ASN CA C 722 53.330 54.532 -1.202 1
1 1188 . 15 2 2 B 17 17 ASN CB C 722 38.332 38.260 0.072 1
1 1189 . 15 2 2 B 17 17 ASN N N 722 118.916 121.602 -2.686 1
1 1191 . 15 2 2 B 18 18 LEU H H 723 8.204 7.958 0.246 1
1 1192 . 15 2 2 B 18 18 LEU HA H 723 4.191 4.141 0.050 1
1 1202 . 15 2 2 B 18 18 LEU CA C 723 54.200 57.384 -3.184 1
1 1203 . 15 2 2 B 18 18 LEU CB C 723 43.545 41.390 2.155 1
1 1207 . 15 2 2 B 18 18 LEU N N 723 121.173 117.805 3.368 1
1 1208 . 15 2 2 B 19 19 LEU H H 724 7.416 7.477 -0.061 1
1 1209 . 15 2 2 B 19 19 LEU HA H 724 4.273 4.321 -0.048 1
1 1219 . 15 2 2 B 19 19 LEU CA C 724 52.415 53.951 -1.536 1
1 1220 . 15 2 2 B 19 19 LEU CB C 724 40.471 42.183 -1.712 1
1 1224 . 15 2 2 B 19 19 LEU N N 724 117.286 121.632 -4.346 1
1 1225 . 15 2 2 B 20 20 PRO HA H 725 4.271 4.503 -0.232 1
1 1232 . 15 2 2 B 20 20 PRO CA C 725 63.877 63.989 -0.112 1
1 1233 . 15 2 2 B 20 20 PRO CB C 725 32.716 32.085 0.631 1
1 1236 . 15 2 2 B 21 21 MET H H 726 8.932 7.504 1.428 1
1 1237 . 15 2 2 B 21 21 MET HA H 726 4.841 4.875 -0.034 1
1 1245 . 15 2 2 B 21 21 MET CA C 726 54.199 54.438 -0.239 1
1 1246 . 15 2 2 B 21 21 MET CB C 726 36.939 35.766 1.173 1
1 1249 . 15 2 2 B 21 21 MET N N 726 116.784 119.662 -2.878 1
1 1250 . 15 2 2 B 22 22 SER H H 727 8.956 9.129 -0.173 1
1 1251 . 15 2 2 B 22 22 SER HA H 727 4.771 4.672 0.099 1
1 1254 . 15 2 2 B 22 22 SER CA C 727 56.255 57.040 -0.785 1
1 1255 . 15 2 2 B 22 22 SER CB C 727 62.528 62.910 -0.382 1
1 1256 . 15 2 2 B 22 22 SER N N 727 119.167 120.966 -1.799 1
1 1257 . 15 2 2 B 23 23 PRO HA H 728 4.312 4.353 -0.041 1
1 1264 . 15 2 2 B 23 23 PRO CA C 728 65.953 65.723 0.230 1
1 1265 . 15 2 2 B 23 23 PRO CB C 728 31.810 31.740 0.070 1
1 1268 . 15 2 2 B 24 24 GLU H H 729 8.877 8.555 0.322 1
1 1269 . 15 2 2 B 24 24 GLU HA H 729 4.163 4.081 0.082 1
1 1274 . 15 2 2 B 24 24 GLU CA C 729 59.748 59.830 -0.082 1
1 1275 . 15 2 2 B 24 24 GLU CB C 729 28.819 29.042 -0.223 1
1 1277 . 15 2 2 B 24 24 GLU N N 729 116.283 117.541 -1.258 1
1 1278 . 15 2 2 B 25 25 GLU H H 730 7.789 7.866 -0.077 1
1 1279 . 15 2 2 B 25 25 GLU HA H 730 3.787 4.027 -0.240 1
1 1284 . 15 2 2 B 25 25 GLU CA C 730 59.266 59.105 0.161 1
1 1285 . 15 2 2 B 25 25 GLU CB C 730 29.501 29.485 0.016 1
1 1287 . 15 2 2 B 25 25 GLU N N 730 121.298 120.631 0.667 1
1 1288 . 15 2 2 B 26 26 PHE H H 731 8.730 8.681 0.049 1
1 1289 . 15 2 2 B 26 26 PHE HA H 731 4.364 4.178 0.186 1
1 1296 . 15 2 2 B 26 26 PHE CA C 731 59.724 61.316 -1.592 1
1 1297 . 15 2 2 B 26 26 PHE CB C 731 38.230 39.461 -1.231 1
1 1300 . 15 2 2 B 26 26 PHE N N 731 119.543 121.457 -1.914 1
1 1301 . 15 2 2 B 27 27 ASP H H 732 8.587 8.647 -0.060 1
1 1302 . 15 2 2 B 27 27 ASP HA H 732 4.097 4.236 -0.139 1
1 1305 . 15 2 2 B 27 27 ASP CA C 732 57.256 57.682 -0.426 1
1 1306 . 15 2 2 B 27 27 ASP CB C 732 40.421 41.383 -0.962 1
1 1307 . 15 2 2 B 27 27 ASP N N 732 121.549 118.747 2.802 1
1 1308 . 15 2 2 B 28 28 GLU H H 733 7.383 8.032 -0.649 1
1 1309 . 15 2 2 B 28 28 GLU HA H 733 4.155 4.073 0.082 1
1 1314 . 15 2 2 B 28 28 GLU CA C 733 58.749 58.960 -0.211 1
1 1315 . 15 2 2 B 28 28 GLU CB C 733 28.933 29.401 -0.468 1
1 1317 . 15 2 2 B 28 28 GLU N N 733 119.793 119.687 0.106 1
1 1318 . 15 2 2 B 29 29 VAL H H 734 8.246 7.936 0.310 1
1 1319 . 15 2 2 B 29 29 VAL HA H 734 3.595 3.482 0.113 1
1 1327 . 15 2 2 B 29 29 VAL CA C 734 66.219 66.343 -0.124 1
1 1328 . 15 2 2 B 29 29 VAL CB C 734 31.362 31.602 -0.240 1
1 1331 . 15 2 2 B 29 29 VAL N N 734 118.540 121.029 -2.489 1
1 1332 . 15 2 2 B 30 30 SER H H 735 8.384 8.215 0.169 1
1 1333 . 15 2 2 B 30 30 SER HA H 735 3.912 3.777 0.135 1
1 1336 . 15 2 2 B 30 30 SER CA C 735 61.703 62.336 -0.633 1
1 1337 . 15 2 2 B 30 30 SER CB C 735 62.059 62.481 -0.422 1
1 1338 . 15 2 2 B 30 30 SER N N 735 115.154 115.080 0.074 1
1 1339 . 15 2 2 B 31 31 ARG H H 736 7.683 8.129 -0.446 1
1 1340 . 15 2 2 B 31 31 ARG HA H 736 4.027 4.070 -0.043 1
1 1348 . 15 2 2 B 31 31 ARG CA C 736 58.571 58.605 -0.034 1
1 1349 . 15 2 2 B 31 31 ARG CB C 736 30.068 29.835 0.233 1
1 1352 . 15 2 2 B 31 31 ARG N N 736 121.549 120.932 0.617 1
1 1354 . 15 2 2 B 32 32 ILE H H 737 7.703 7.249 0.454 1
1 1355 . 15 2 2 B 32 32 ILE HA H 737 3.859 3.888 -0.029 1
1 1365 . 15 2 2 B 32 32 ILE CA C 737 63.445 63.902 -0.457 1
1 1366 . 15 2 2 B 32 32 ILE CB C 737 38.332 38.045 0.287 1
1 1370 . 15 2 2 B 32 32 ILE N N 737 119.167 119.758 -0.591 1
1 1371 . 15 2 2 B 33 33 VAL H H 738 8.293 7.804 0.489 1
1 1372 . 15 2 2 B 33 33 VAL HA H 738 3.901 3.688 0.213 1
1 1380 . 15 2 2 B 33 33 VAL CA C 738 63.805 65.340 -1.535 1
1 1381 . 15 2 2 B 33 33 VAL CB C 738 32.408 31.617 0.791 1
1 1384 . 15 2 2 B 33 33 VAL N N 738 116.157 119.823 -3.666 1
1 1385 . 15 2 2 B 34 34 GLY H H 739 7.868 7.774 0.094 1
1 1386 . 15 2 2 B 34 34 GLY HA2 H 739 3.813 3.807 0.006 1
1 1387 . 15 2 2 B 34 34 GLY HA3 H 739 4.120 3.833 0.287 1
1 1388 . 15 2 2 B 34 34 GLY CA C 739 44.831 46.595 -1.764 1
1 1389 . 15 2 2 B 34 34 GLY N N 739 108.258 109.954 -1.696 1
1 1390 . 15 2 2 B 35 35 SER H H 740 8.366 8.386 -0.020 1
1 1391 . 15 2 2 B 35 35 SER HA H 740 4.389 3.951 0.438 1
1 1394 . 15 2 2 B 35 35 SER CA C 740 58.261 59.198 -0.937 1
1 1395 . 15 2 2 B 35 35 SER CB C 740 62.663 61.022 1.641 1
1 1396 . 15 2 2 B 35 35 SER N N 740 116.408 114.604 1.804 1
1 1397 . 15 2 2 B 36 36 VAL H H 741 7.897 7.431 0.466 1
1 1398 . 15 2 2 B 36 36 VAL HA H 741 4.054 3.770 0.284 1
1 1406 . 15 2 2 B 36 36 VAL CA C 741 61.737 66.335 -4.598 1
1 1407 . 15 2 2 B 36 36 VAL CB C 741 33.084 32.088 0.996 1
1 1410 . 15 2 2 B 36 36 VAL N N 741 122.928 122.286 0.642 1
1 1411 . 15 2 2 B 37 37 GLU H H 742 8.468 8.044 0.424 1
1 1412 . 15 2 2 B 37 37 GLU HA H 742 4.306 4.676 -0.370 1
1 1417 . 15 2 2 B 37 37 GLU CA C 742 55.803 56.010 -0.207 1
1 1418 . 15 2 2 B 37 37 GLU CB C 742 29.029 30.946 -1.917 1
1 1420 . 15 2 2 B 37 37 GLU N N 742 124.057 119.242 4.815 1
1 1421 . 15 2 2 B 38 38 PHE H H 743 8.222 7.751 0.471 1
1 1422 . 15 2 2 B 38 38 PHE HA H 743 4.360 4.118 0.242 1
1 1429 . 15 2 2 B 38 38 PHE CA C 743 59.263 61.746 -2.483 1
1 1430 . 15 2 2 B 38 38 PHE CB C 743 39.524 39.389 0.135 1
1 1433 . 15 2 2 B 38 38 PHE N N 743 122.427 121.717 0.710 1
1 1434 . 15 2 2 B 39 39 ASP H H 744 8.602 8.860 -0.258 1
1 1435 . 15 2 2 B 39 39 ASP HA H 744 4.380 4.402 -0.022 1
1 1438 . 15 2 2 B 39 39 ASP CA C 744 56.495 55.058 1.437 1
1 1439 . 15 2 2 B 39 39 ASP CB C 744 40.119 39.216 0.903 1
1 1440 . 15 2 2 B 39 39 ASP N N 744 120.044 117.294 2.750 1
1 1441 . 15 2 2 B 40 40 SER H H 745 8.143 7.956 0.187 1
1 1442 . 15 2 2 B 40 40 SER HA H 745 4.328 4.758 -0.430 1
1 1445 . 15 2 2 B 40 40 SER CA C 745 59.724 57.132 2.592 1
1 1446 . 15 2 2 B 40 40 SER CB C 745 62.723 64.434 -1.711 1
1 1447 . 15 2 2 B 40 40 SER N N 745 114.527 115.427 -0.900 1
1 1448 . 15 2 2 B 41 41 MET H H 746 7.930 7.404 0.526 1
1 1449 . 15 2 2 B 41 41 MET HA H 746 4.374 4.193 0.181 1
1 1457 . 15 2 2 B 41 41 MET CA C 746 56.244 57.906 -1.662 1
1 1458 . 15 2 2 B 41 41 MET CB C 746 32.502 31.345 1.157 1
1 1461 . 15 2 2 B 41 41 MET N N 746 120.044 121.295 -1.251 1
1 1462 . 15 2 2 B 42 42 MET H H 747 7.784 8.013 -0.229 1
1 1463 . 15 2 2 B 42 42 MET HA H 747 4.232 4.487 -0.255 1
1 1471 . 15 2 2 B 42 42 MET CA C 747 55.830 55.809 0.021 1
1 1472 . 15 2 2 B 42 42 MET CB C 747 32.502 32.212 0.290 1
1 1475 . 15 2 2 B 42 42 MET N N 747 117.035 115.568 1.467 1
1 1476 . 15 2 2 B 43 43 ASN H H 748 7.960 7.798 0.162 1
1 1477 . 15 2 2 B 43 43 ASN HA H 748 4.831 5.027 -0.196 1
1 1482 . 15 2 2 B 43 43 ASN CA C 748 53.146 51.668 1.478 1
1 1483 . 15 2 2 B 43 43 ASN CB C 748 38.795 39.884 -1.089 1
1 1484 . 15 2 2 B 43 43 ASN N N 748 117.537 116.834 0.703 1
1 1486 . 15 2 2 B 44 44 THR H H 749 8.039 8.642 -0.603 1
1 1487 . 15 2 2 B 44 44 THR HA H 749 4.432 4.079 0.353 1
1 1492 . 15 2 2 B 44 44 THR CA C 749 61.570 64.356 -2.786 1
1 1493 . 15 2 2 B 44 44 THR CB C 749 69.644 69.034 0.610 1
1 1495 . 15 2 2 B 44 44 THR N N 749 114.026 114.899 -0.873 1
1 6 . 16 1 1 A 2 2 PRO HA H 2 4.396 4.306 0.090 1
1 13 . 16 1 1 A 2 2 PRO CA C 2 65.107 65.927 -0.820 1
1 14 . 16 1 1 A 2 2 PRO CB C 2 31.810 31.393 0.417 1
1 17 . 16 1 1 A 3 3 GLN H H 3 8.509 8.413 0.096 1
1 18 . 16 1 1 A 3 3 GLN HA H 3 3.962 4.173 -0.211 1
1 25 . 16 1 1 A 3 3 GLN CA C 3 59.223 57.597 1.626 1
1 26 . 16 1 1 A 3 3 GLN CB C 3 28.119 28.687 -0.568 1
1 28 . 16 1 1 A 3 3 GLN N N 3 117.064 117.843 -0.779 1
1 30 . 16 1 1 A 4 4 GLU H H 4 7.950 8.376 -0.426 1
1 31 . 16 1 1 A 4 4 GLU HA H 4 4.105 4.058 0.047 1
1 36 . 16 1 1 A 4 4 GLU CA C 4 58.778 59.346 -0.568 1
1 37 . 16 1 1 A 4 4 GLU CB C 4 29.734 29.320 0.414 1
1 39 . 16 1 1 A 4 4 GLU N N 4 121.574 121.202 0.372 1
1 40 . 16 1 1 A 5 5 SER H H 5 8.511 8.386 0.125 1
1 41 . 16 1 1 A 5 5 SER HA H 5 4.238 4.185 0.053 1
1 44 . 16 1 1 A 5 5 SER CA C 5 61.377 61.077 0.300 1
1 45 . 16 1 1 A 5 5 SER CB C 5 62.351 62.634 -0.283 1
1 46 . 16 1 1 A 5 5 SER N N 5 115.674 114.336 1.338 1
1 47 . 16 1 1 A 6 6 ARG H H 6 8.276 7.636 0.640 1
1 48 . 16 1 1 A 6 6 ARG HA H 6 4.324 4.094 0.230 1
1 55 . 16 1 1 A 6 6 ARG CA C 6 58.988 59.317 -0.329 1
1 56 . 16 1 1 A 6 6 ARG CB C 6 30.426 30.241 0.185 1
1 59 . 16 1 1 A 6 6 ARG N N 6 122.441 121.836 0.605 1
1 60 . 16 1 1 A 7 7 ARG H H 7 8.015 7.855 0.160 1
1 61 . 16 1 1 A 7 7 ARG HA H 7 3.955 4.100 -0.145 1
1 68 . 16 1 1 A 7 7 ARG CA C 7 59.724 58.925 0.799 1
1 69 . 16 1 1 A 7 7 ARG CB C 7 29.965 29.938 0.027 1
1 72 . 16 1 1 A 7 7 ARG N N 7 119.491 119.737 -0.246 1
1 73 . 16 1 1 A 8 8 LEU H H 8 8.158 8.551 -0.393 1
1 74 . 16 1 1 A 8 8 LEU HA H 8 4.161 4.043 0.118 1
1 84 . 16 1 1 A 8 8 LEU CA C 8 57.686 57.850 -0.164 1
1 85 . 16 1 1 A 8 8 LEU CB C 8 41.312 41.514 -0.202 1
1 89 . 16 1 1 A 8 8 LEU N N 8 120.359 120.066 0.293 1
1 90 . 16 1 1 A 9 9 SER H H 9 8.090 7.884 0.206 1
1 91 . 16 1 1 A 9 9 SER HA H 9 4.292 4.210 0.082 1
1 94 . 16 1 1 A 9 9 SER CA C 9 61.570 61.371 0.199 1
1 95 . 16 1 1 A 9 9 SER CB C 9 62.493 62.791 -0.298 1
1 96 . 16 1 1 A 9 9 SER N N 9 116.178 113.878 2.300 1
1 97 . 16 1 1 A 10 10 ILE H H 10 8.396 8.046 0.350 1
1 98 . 16 1 1 A 10 10 ILE HA H 10 3.505 3.475 0.030 1
1 108 . 16 1 1 A 10 10 ILE CA C 10 65.608 65.033 0.575 1
1 109 . 16 1 1 A 10 10 ILE CB C 10 37.706 37.283 0.423 1
1 113 . 16 1 1 A 10 10 ILE N N 10 122.840 121.976 0.864 1
1 114 . 16 1 1 A 11 11 GLN H H 11 8.142 7.813 0.329 1
1 115 . 16 1 1 A 11 11 GLN HA H 11 4.032 3.998 0.034 1
1 122 . 16 1 1 A 11 11 GLN CA C 11 59.060 59.270 -0.210 1
1 123 . 16 1 1 A 11 11 GLN CB C 11 27.888 28.285 -0.397 1
1 125 . 16 1 1 A 11 11 GLN N N 11 119.144 118.627 0.517 1
1 127 . 16 1 1 A 12 12 ARG H H 12 8.330 7.546 0.784 1
1 128 . 16 1 1 A 12 12 ARG HA H 12 4.179 4.031 0.148 1
1 135 . 16 1 1 A 12 12 ARG CA C 12 59.494 59.396 0.098 1
1 136 . 16 1 1 A 12 12 ARG CB C 12 29.734 30.075 -0.341 1
1 138 . 16 1 1 A 12 12 ARG N N 12 120.186 119.069 1.117 1
1 139 . 16 1 1 A 13 13 CYS H H 13 8.242 8.009 0.233 1
1 140 . 16 1 1 A 13 13 CYS HA H 13 4.231 4.101 0.130 1
1 143 . 16 1 1 A 13 13 CYS CA C 13 63.289 63.808 -0.519 1
1 144 . 16 1 1 A 13 13 CYS CB C 13 26.505 27.108 -0.603 1
1 145 . 16 1 1 A 13 13 CYS N N 13 121.574 119.745 1.829 1
1 146 . 16 1 1 A 14 14 ILE H H 14 8.493 8.459 0.034 1
1 147 . 16 1 1 A 14 14 ILE HA H 14 3.787 3.569 0.218 1
1 157 . 16 1 1 A 14 14 ILE CA C 14 64.269 65.301 -1.032 1
1 158 . 16 1 1 A 14 14 ILE CB C 14 36.597 37.729 -1.132 1
1 162 . 16 1 1 A 14 14 ILE N N 14 120.012 119.583 0.429 1
1 163 . 16 1 1 A 15 15 GLN H H 15 8.468 8.322 0.146 1
1 164 . 16 1 1 A 15 15 GLN HA H 15 4.107 4.004 0.103 1
1 171 . 16 1 1 A 15 15 GLN CA C 15 58.969 59.046 -0.077 1
1 172 . 16 1 1 A 15 15 GLN CB C 15 27.843 28.636 -0.793 1
1 174 . 16 1 1 A 15 15 GLN N N 15 119.665 118.843 0.822 1
1 176 . 16 1 1 A 16 16 SER H H 16 8.409 8.062 0.347 1
1 177 . 16 1 1 A 16 16 SER HA H 16 4.424 4.117 0.307 1
1 180 . 16 1 1 A 16 16 SER CA C 16 61.726 62.500 -0.774 1
1 181 . 16 1 1 A 16 16 SER CB C 16 62.564 63.057 -0.493 1
1 182 . 16 1 1 A 16 16 SER N N 16 117.062 116.215 0.847 1
1 183 . 16 1 1 A 17 17 LEU H H 17 8.235 8.072 0.163 1
1 184 . 16 1 1 A 17 17 LEU HA H 17 4.103 4.088 0.015 1
1 194 . 16 1 1 A 17 17 LEU CA C 17 58.340 57.845 0.495 1
1 195 . 16 1 1 A 17 17 LEU CB C 17 41.961 41.669 0.292 1
1 199 . 16 1 1 A 17 17 LEU N N 17 125.564 122.823 2.741 1
1 200 . 16 1 1 A 18 18 VAL H H 18 8.603 8.301 0.302 1
1 201 . 16 1 1 A 18 18 VAL HA H 18 3.261 3.553 -0.292 1
1 209 . 16 1 1 A 18 18 VAL CA C 18 67.097 66.514 0.583 1
1 210 . 16 1 1 A 18 18 VAL CB C 18 31.589 31.509 0.080 1
1 213 . 16 1 1 A 18 18 VAL N N 18 119.665 118.845 0.820 1
1 214 . 16 1 1 A 19 19 HIS H H 19 8.083 8.257 -0.174 1
1 215 . 16 1 1 A 19 19 HIS HA H 19 4.231 4.183 0.048 1
1 219 . 16 1 1 A 19 19 HIS CA C 19 59.641 60.179 -0.538 1
1 220 . 16 1 1 A 19 19 HIS CB C 19 26.966 29.661 -2.695 1
1 222 . 16 1 1 A 19 19 HIS N N 19 116.094 119.300 -3.206 1
1 223 . 16 1 1 A 20 20 ALA H H 20 8.796 8.418 0.378 1
1 224 . 16 1 1 A 20 20 ALA HA H 20 4.308 4.030 0.278 1
1 228 . 16 1 1 A 20 20 ALA CA C 20 55.341 55.134 0.207 1
1 229 . 16 1 1 A 20 20 ALA CB C 20 20.026 18.322 1.704 1
1 230 . 16 1 1 A 20 20 ALA N N 20 121.747 120.409 1.338 1
1 231 . 16 1 1 A 21 21 CYS H H 21 7.909 7.970 -0.061 1
1 232 . 16 1 1 A 21 21 CYS HA H 21 4.294 4.236 0.058 1
1 235 . 16 1 1 A 21 21 CYS CA C 21 61.665 60.944 0.721 1
1 236 . 16 1 1 A 21 21 CYS CB C 21 26.764 26.994 -0.230 1
1 237 . 16 1 1 A 21 21 CYS N N 21 111.875 115.681 -3.806 1
1 238 . 16 1 1 A 22 22 GLN H H 22 7.357 7.788 -0.431 1
1 239 . 16 1 1 A 22 22 GLN HA H 22 4.531 4.403 0.128 1
1 246 . 16 1 1 A 22 22 GLN CA C 22 54.445 55.797 -1.352 1
1 247 . 16 1 1 A 22 22 GLN CB C 22 30.608 30.860 -0.252 1
1 249 . 16 1 1 A 22 22 GLN N N 22 116.021 117.109 -1.088 1
1 251 . 16 1 1 A 23 23 CYS H H 23 7.229 7.495 -0.266 1
1 252 . 16 1 1 A 23 23 CYS HA H 23 3.947 4.321 -0.374 1
1 255 . 16 1 1 A 23 23 CYS CA C 23 59.996 59.308 0.688 1
1 256 . 16 1 1 A 23 23 CYS CB C 23 29.000 28.623 0.377 1
1 257 . 16 1 1 A 23 23 CYS N N 23 124.350 119.042 5.308 1
1 258 . 16 1 1 A 24 24 ARG H H 24 8.966 8.694 0.272 1
1 259 . 16 1 1 A 24 24 ARG HA H 24 4.590 4.594 -0.004 1
1 266 . 16 1 1 A 24 24 ARG CA C 24 54.306 55.910 -1.604 1
1 267 . 16 1 1 A 24 24 ARG CB C 24 29.771 32.239 -2.468 1
1 270 . 16 1 1 A 24 24 ARG N N 24 129.729 123.105 6.624 1
1 271 . 16 1 1 A 25 25 ASN H H 25 7.823 7.155 0.668 1
1 272 . 16 1 1 A 25 25 ASN HA H 25 4.853 4.633 0.220 1
1 277 . 16 1 1 A 25 25 ASN CA C 25 51.372 53.702 -2.330 1
1 278 . 16 1 1 A 25 25 ASN CB C 25 38.727 39.118 -0.391 1
1 279 . 16 1 1 A 25 25 ASN N N 25 120.186 118.675 1.511 1
1 281 . 16 1 1 A 26 26 ALA H H 26 9.248 8.861 0.387 1
1 282 . 16 1 1 A 26 26 ALA HA H 26 4.091 4.091 0.000 1
1 286 . 16 1 1 A 26 26 ALA CA C 26 54.027 54.644 -0.617 1
1 287 . 16 1 1 A 26 26 ALA CB C 26 18.209 18.692 -0.483 1
1 288 . 16 1 1 A 26 26 ALA N N 26 130.423 125.821 4.602 1
1 289 . 16 1 1 A 27 27 ASN H H 27 8.085 8.001 0.084 1
1 290 . 16 1 1 A 27 27 ASN HA H 27 4.834 4.980 -0.146 1
1 295 . 16 1 1 A 27 27 ASN CA C 27 51.625 52.125 -0.500 1
1 296 . 16 1 1 A 27 27 ASN CB C 27 38.577 39.346 -0.769 1
1 297 . 16 1 1 A 27 27 ASN N N 27 113.766 115.578 -1.812 1
1 299 . 16 1 1 A 28 28 CYS H H 28 7.209 7.710 -0.501 1
1 300 . 16 1 1 A 28 28 CYS HA H 28 4.053 4.331 -0.278 1
1 303 . 16 1 1 A 28 28 CYS CA C 28 61.312 59.732 1.580 1
1 304 . 16 1 1 A 28 28 CYS CB C 28 29.674 29.066 0.608 1
1 305 . 16 1 1 A 28 28 CYS N N 28 123.309 120.967 2.342 1
1 306 . 16 1 1 A 29 29 SER H H 29 8.922 8.583 0.339 1
1 307 . 16 1 1 A 29 29 SER HA H 29 4.609 4.202 0.407 1
1 310 . 16 1 1 A 29 29 SER CA C 29 57.450 60.813 -3.363 1
1 311 . 16 1 1 A 29 29 SER CB C 29 63.604 62.823 0.781 1
1 312 . 16 1 1 A 29 29 SER N N 29 124.870 119.355 5.515 1
1 313 . 16 1 1 A 30 30 LEU H H 30 8.513 7.594 0.919 1
1 314 . 16 1 1 A 30 30 LEU HA H 30 4.497 4.403 0.094 1
1 324 . 16 1 1 A 30 30 LEU CA C 30 53.980 52.885 1.095 1
1 325 . 16 1 1 A 30 30 LEU CB C 30 40.643 41.661 -1.018 1
1 329 . 16 1 1 A 30 30 LEU N N 30 128.341 125.105 3.236 1
1 330 . 16 1 1 A 31 31 PRO HA H 31 4.329 4.306 0.023 1
1 337 . 16 1 1 A 31 31 PRO CA C 31 65.026 64.667 0.359 1
1 338 . 16 1 1 A 31 31 PRO CB C 31 31.580 32.249 -0.669 1
1 341 . 16 1 1 A 32 32 SER H H 32 8.537 8.117 0.420 1
1 342 . 16 1 1 A 32 32 SER HA H 32 4.287 4.204 0.083 1
1 345 . 16 1 1 A 32 32 SER CA C 32 60.277 61.430 -1.153 1
1 346 . 16 1 1 A 32 32 SER CB C 32 62.277 62.503 -0.226 1
1 347 . 16 1 1 A 32 32 SER N N 32 112.551 111.964 0.587 1
1 348 . 16 1 1 A 33 33 CYS H H 33 7.523 8.104 -0.581 1
1 349 . 16 1 1 A 33 33 CYS HA H 33 4.170 3.935 0.235 1
1 352 . 16 1 1 A 33 33 CYS CA C 33 63.408 62.815 0.593 1
1 353 . 16 1 1 A 33 33 CYS CB C 33 29.503 26.522 2.981 1
1 354 . 16 1 1 A 33 33 CYS N N 33 126.085 120.586 5.499 1
1 355 . 16 1 1 A 34 34 GLN H H 34 8.102 7.870 0.232 1
1 356 . 16 1 1 A 34 34 GLN HA H 34 3.963 4.077 -0.114 1
1 359 . 16 1 1 A 34 34 GLN N N 34 115.711 118.951 -3.240 1
1 361 . 16 1 1 A 35 35 LYS H H 35 8.093 7.809 0.284 1
1 362 . 16 1 1 A 35 35 LYS HA H 35 3.994 4.163 -0.169 1
1 371 . 16 1 1 A 35 35 LYS CA C 35 59.502 58.749 0.753 1
1 372 . 16 1 1 A 35 35 LYS CB C 35 32.273 32.674 -0.401 1
1 376 . 16 1 1 A 35 35 LYS N N 35 117.930 120.518 -2.588 1
1 377 . 16 1 1 A 36 36 MET H H 36 8.237 8.648 -0.411 1
1 378 . 16 1 1 A 36 36 MET HA H 36 4.488 4.082 0.406 1
1 386 . 16 1 1 A 36 36 MET CA C 36 56.725 59.324 -2.599 1
1 387 . 16 1 1 A 36 36 MET CB C 36 30.954 32.668 -1.714 1
1 390 . 16 1 1 A 36 36 MET N N 36 117.062 118.774 -1.712 1
1 391 . 16 1 1 A 37 37 LYS H H 37 9.107 7.982 1.125 1
1 392 . 16 1 1 A 37 37 LYS HA H 37 3.900 4.009 -0.109 1
1 401 . 16 1 1 A 37 37 LYS CA C 37 61.097 59.956 1.141 1
1 402 . 16 1 1 A 37 37 LYS CB C 37 32.947 32.265 0.682 1
1 406 . 16 1 1 A 37 37 LYS N N 37 120.186 119.168 1.018 1
1 407 . 16 1 1 A 38 38 ARG H H 38 7.781 7.882 -0.101 1
1 408 . 16 1 1 A 38 38 ARG HA H 38 4.127 4.078 0.049 1
1 413 . 16 1 1 A 38 38 ARG CA C 38 59.263 59.460 -0.197 1
1 414 . 16 1 1 A 38 38 ARG CB C 38 29.965 30.240 -0.275 1
1 416 . 16 1 1 A 38 38 ARG N N 38 118.971 119.606 -0.635 1
1 417 . 16 1 1 A 39 39 VAL H H 39 8.289 7.889 0.400 1
1 418 . 16 1 1 A 39 39 VAL HA H 39 3.539 3.746 -0.207 1
1 426 . 16 1 1 A 39 39 VAL CA C 39 66.989 66.518 0.471 1
1 427 . 16 1 1 A 39 39 VAL CB C 39 31.451 31.728 -0.277 1
1 430 . 16 1 1 A 39 39 VAL N N 39 123.829 120.123 3.706 1
1 431 . 16 1 1 A 40 40 VAL H H 40 8.318 8.379 -0.061 1
1 432 . 16 1 1 A 40 40 VAL HA H 40 3.528 3.815 -0.287 1
1 440 . 16 1 1 A 40 40 VAL CA C 40 67.050 65.305 1.745 1
1 441 . 16 1 1 A 40 40 VAL CB C 40 31.608 31.310 0.298 1
1 444 . 16 1 1 A 40 40 VAL N N 40 119.665 120.439 -0.774 1
1 445 . 16 1 1 A 41 41 GLN H H 41 8.263 8.081 0.182 1
1 446 . 16 1 1 A 41 41 GLN HA H 41 3.974 3.934 0.040 1
1 453 . 16 1 1 A 41 41 GLN CA C 41 58.571 59.229 -0.658 1
1 454 . 16 1 1 A 41 41 GLN CB C 41 28.018 28.447 -0.429 1
1 456 . 16 1 1 A 41 41 GLN N N 41 118.450 122.097 -3.647 1
1 458 . 16 1 1 A 42 42 HIS H H 42 8.309 8.091 0.218 1
1 459 . 16 1 1 A 42 42 HIS HA H 42 4.215 4.318 -0.103 1
1 463 . 16 1 1 A 42 42 HIS CA C 42 59.402 59.445 -0.043 1
1 464 . 16 1 1 A 42 42 HIS CB C 42 26.966 30.620 -3.654 1
1 466 . 16 1 1 A 42 42 HIS N N 42 118.971 119.999 -1.028 1
1 467 . 16 1 1 A 43 43 THR H H 43 8.056 8.124 -0.068 1
1 468 . 16 1 1 A 43 43 THR HA H 43 3.929 3.702 0.227 1
1 474 . 16 1 1 A 43 43 THR CA C 43 66.101 67.218 -1.117 1
1 475 . 16 1 1 A 43 43 THR CB C 43 69.107 68.320 0.787 1
1 477 . 16 1 1 A 43 43 THR N N 43 114.320 113.384 0.936 1
1 478 . 16 1 1 A 44 44 LYS H H 44 7.531 7.926 -0.395 1
1 479 . 16 1 1 A 44 44 LYS HA H 44 4.085 4.082 0.003 1
1 488 . 16 1 1 A 44 44 LYS CA C 44 58.682 59.220 -0.538 1
1 489 . 16 1 1 A 44 44 LYS CB C 44 32.024 32.381 -0.357 1
1 493 . 16 1 1 A 44 44 LYS N N 44 120.012 119.557 0.455 1
1 494 . 16 1 1 A 45 45 GLY H H 45 7.143 7.715 -0.572 1
1 495 . 16 1 1 A 45 45 GLY HA2 H 45 3.625 4.018 -0.393 1
1 496 . 16 1 1 A 45 45 GLY HA3 H 45 4.387 4.035 0.352 1
1 497 . 16 1 1 A 45 45 GLY CA C 45 44.289 45.230 -0.941 1
1 498 . 16 1 1 A 45 45 GLY N N 45 103.528 107.127 -3.599 1
1 499 . 16 1 1 A 46 46 CYS H H 46 6.988 7.292 -0.304 1
1 500 . 16 1 1 A 46 46 CYS HA H 46 3.955 4.432 -0.477 1
1 503 . 16 1 1 A 46 46 CYS CA C 46 60.654 59.184 1.470 1
1 504 . 16 1 1 A 46 46 CYS CB C 46 29.793 27.997 1.796 1
1 505 . 16 1 1 A 46 46 CYS N N 46 123.656 120.287 3.369 1
1 506 . 16 1 1 A 47 47 LYS H H 47 9.060 8.851 0.209 1
1 507 . 16 1 1 A 47 47 LYS HA H 47 4.489 4.570 -0.081 1
1 516 . 16 1 1 A 47 47 LYS CA C 47 56.127 56.091 0.036 1
1 517 . 16 1 1 A 47 47 LYS CB C 47 32.393 33.010 -0.617 1
1 521 . 16 1 1 A 47 47 LYS N N 47 127.820 124.565 3.255 1
1 522 . 16 1 1 A 48 48 ARG H H 48 8.537 7.701 0.836 1
1 523 . 16 1 1 A 48 48 ARG HA H 48 4.330 4.279 0.051 1
1 530 . 16 1 1 A 48 48 ARG CA C 48 57.648 58.263 -0.615 1
1 531 . 16 1 1 A 48 48 ARG CB C 48 31.810 30.747 1.063 1
1 534 . 16 1 1 A 48 48 ARG N N 48 122.615 117.645 4.970 1
1 535 . 16 1 1 A 49 49 LYS H H 49 8.522 7.790 0.732 1
1 536 . 16 1 1 A 49 49 LYS HA H 49 4.554 4.246 0.308 1
1 545 . 16 1 1 A 49 49 LYS CA C 49 57.417 56.767 0.650 1
1 546 . 16 1 1 A 49 49 LYS CB C 49 31.543 31.979 -0.436 1
1 550 . 16 1 1 A 49 49 LYS N N 49 117.583 119.293 -1.710 1
1 551 . 16 1 1 A 50 50 THR H H 50 7.992 8.898 -0.906 1
1 552 . 16 1 1 A 50 50 THR HA H 50 4.127 3.918 0.209 1
1 557 . 16 1 1 A 50 50 THR CA C 50 63.985 65.755 -1.770 1
1 558 . 16 1 1 A 50 50 THR CB C 50 68.157 68.274 -0.117 1
1 560 . 16 1 1 A 50 50 THR N N 50 113.245 113.505 -0.260 1
1 561 . 16 1 1 A 51 51 ASN H H 51 8.888 8.948 -0.060 1
1 562 . 16 1 1 A 51 51 ASN HA H 51 4.665 4.586 0.079 1
1 567 . 16 1 1 A 51 51 ASN CA C 51 54.159 54.617 -0.458 1
1 568 . 16 1 1 A 51 51 ASN CB C 51 37.857 36.944 0.913 1
1 570 . 16 1 1 A 52 52 GLY H H 52 7.972 7.770 0.202 1
1 571 . 16 1 1 A 52 52 GLY HA2 H 52 3.893 4.036 -0.143 1
1 572 . 16 1 1 A 52 52 GLY HA3 H 52 4.101 4.040 0.061 1
1 573 . 16 1 1 A 52 52 GLY CA C 52 45.368 45.620 -0.252 1
1 574 . 16 1 1 A 52 52 GLY N N 52 106.651 107.490 -0.839 1
1 575 . 16 1 1 A 53 53 GLY H H 53 7.765 7.987 -0.222 1
1 576 . 16 1 1 A 53 53 GLY HA2 H 53 3.837 4.057 -0.220 1
1 577 . 16 1 1 A 53 53 GLY HA3 H 53 4.079 4.059 0.020 1
1 578 . 16 1 1 A 53 53 GLY CA C 53 45.227 44.986 0.241 1
1 579 . 16 1 1 A 53 53 GLY N N 53 107.519 106.609 0.910 1
1 580 . 16 1 1 A 54 54 CYS H H 54 8.099 7.801 0.298 1
1 581 . 16 1 1 A 54 54 CYS HA H 54 4.720 4.596 0.124 1
1 584 . 16 1 1 A 54 54 CYS CA C 54 55.572 57.375 -1.803 1
1 585 . 16 1 1 A 54 54 CYS CB C 54 30.216 28.782 1.434 1
1 586 . 16 1 1 A 54 54 CYS N N 54 122.615 119.926 2.689 1
1 587 . 16 1 1 A 55 55 PRO HA H 55 4.237 4.466 -0.229 1
1 594 . 16 1 1 A 55 55 PRO CA C 55 64.757 64.123 0.634 1
1 595 . 16 1 1 A 55 55 PRO CB C 55 32.311 31.952 0.359 1
1 598 . 16 1 1 A 56 56 VAL H H 56 7.645 7.226 0.419 1
1 599 . 16 1 1 A 56 56 VAL HA H 56 3.384 3.706 -0.322 1
1 607 . 16 1 1 A 56 56 VAL CA C 56 66.184 65.961 0.223 1
1 608 . 16 1 1 A 56 56 VAL CB C 56 32.502 31.546 0.956 1
1 611 . 16 1 1 A 56 56 VAL N N 56 121.227 116.559 4.668 1
1 612 . 16 1 1 A 57 57 CYS H H 57 8.565 7.787 0.778 1
1 613 . 16 1 1 A 57 57 CYS HA H 57 4.034 4.079 -0.045 1
1 616 . 16 1 1 A 57 57 CYS CA C 57 65.746 63.450 2.296 1
1 617 . 16 1 1 A 57 57 CYS CB C 57 29.273 27.191 2.082 1
1 618 . 16 1 1 A 57 57 CYS N N 57 122.615 117.831 4.784 1
1 619 . 16 1 1 A 58 58 LYS H H 58 7.956 7.714 0.242 1
1 620 . 16 1 1 A 58 58 LYS HA H 58 3.874 3.805 0.069 1
1 629 . 16 1 1 A 58 58 LYS CA C 58 59.955 59.423 0.532 1
1 630 . 16 1 1 A 58 58 LYS CB C 58 32.272 32.228 0.044 1
1 634 . 16 1 1 A 58 58 LYS N N 58 116.889 121.159 -4.270 1
1 635 . 16 1 1 A 59 59 GLN H H 59 7.359 7.696 -0.337 1
1 636 . 16 1 1 A 59 59 GLN HA H 59 3.789 4.037 -0.248 1
1 643 . 16 1 1 A 59 59 GLN CA C 59 60.647 58.769 1.878 1
1 644 . 16 1 1 A 59 59 GLN CB C 59 27.196 28.034 -0.838 1
1 646 . 16 1 1 A 59 59 GLN N N 59 116.889 118.629 -1.740 1
1 648 . 16 1 1 A 60 60 LEU H H 60 8.303 7.760 0.543 1
1 649 . 16 1 1 A 60 60 LEU HA H 60 4.093 3.979 0.114 1
1 659 . 16 1 1 A 60 60 LEU CA C 60 58.110 57.865 0.245 1
1 660 . 16 1 1 A 60 60 LEU CB C 60 40.807 41.744 -0.937 1
1 664 . 16 1 1 A 60 60 LEU N N 60 118.103 119.105 -1.002 1
1 665 . 16 1 1 A 61 61 ILE H H 61 8.804 7.968 0.836 1
1 666 . 16 1 1 A 61 61 ILE HA H 61 3.801 3.410 0.391 1
1 676 . 16 1 1 A 61 61 ILE CA C 61 63.416 65.593 -2.177 1
1 677 . 16 1 1 A 61 61 ILE CB C 61 36.886 37.619 -0.733 1
1 681 . 16 1 1 A 61 61 ILE N N 61 118.624 118.903 -0.279 1
1 682 . 16 1 1 A 62 62 ALA H H 62 7.796 7.815 -0.019 1
1 683 . 16 1 1 A 62 62 ALA HA H 62 4.058 4.127 -0.069 1
1 687 . 16 1 1 A 62 62 ALA CA C 62 56.030 55.357 0.673 1
1 688 . 16 1 1 A 62 62 ALA CB C 62 18.068 18.400 -0.332 1
1 689 . 16 1 1 A 62 62 ALA N N 62 124.003 122.845 1.158 1
1 690 . 16 1 1 A 63 63 LEU H H 63 8.011 7.616 0.395 1
1 691 . 16 1 1 A 63 63 LEU HA H 63 4.077 4.084 -0.007 1
1 701 . 16 1 1 A 63 63 LEU CA C 63 58.110 57.849 0.261 1
1 702 . 16 1 1 A 63 63 LEU CB C 63 42.116 41.356 0.760 1
1 706 . 16 1 1 A 63 63 LEU N N 63 117.583 119.403 -1.820 1
1 707 . 16 1 1 A 64 64 CYS H H 64 8.818 8.548 0.270 1
1 708 . 16 1 1 A 64 64 CYS HA H 64 4.053 4.228 -0.175 1
1 711 . 16 1 1 A 64 64 CYS CA C 64 64.800 63.045 1.755 1
1 712 . 16 1 1 A 64 64 CYS CB C 64 26.504 26.955 -0.451 1
1 713 . 16 1 1 A 64 64 CYS N N 64 118.277 117.142 1.135 1
1 714 . 16 1 1 A 65 65 CYS H H 65 8.793 8.684 0.109 1
1 715 . 16 1 1 A 65 65 CYS HA H 65 4.258 4.110 0.148 1
1 718 . 16 1 1 A 65 65 CYS CA C 65 63.646 63.853 -0.207 1
1 719 . 16 1 1 A 65 65 CYS CB C 65 26.966 26.607 0.359 1
1 720 . 16 1 1 A 65 65 CYS N N 65 118.971 119.211 -0.240 1
1 721 . 16 1 1 A 66 66 TYR H H 66 8.369 8.168 0.201 1
1 722 . 16 1 1 A 66 66 TYR HA H 66 4.034 4.229 -0.195 1
1 729 . 16 1 1 A 66 66 TYR CA C 66 60.886 61.405 -0.519 1
1 730 . 16 1 1 A 66 66 TYR CB C 66 37.808 38.721 -0.913 1
1 733 . 16 1 1 A 66 66 TYR N N 66 121.574 122.481 -0.907 1
1 734 . 16 1 1 A 67 67 HIS H H 67 8.633 7.827 0.806 1
1 735 . 16 1 1 A 67 67 HIS HA H 67 4.318 4.341 -0.023 1
1 740 . 16 1 1 A 67 67 HIS CA C 67 58.998 59.464 -0.466 1
1 741 . 16 1 1 A 67 67 HIS CB C 67 27.409 30.278 -2.869 1
1 744 . 16 1 1 A 67 67 HIS N N 67 117.409 119.197 -1.788 1
1 745 . 16 1 1 A 68 68 ALA H H 68 8.725 8.905 -0.180 1
1 746 . 16 1 1 A 68 68 ALA HA H 68 4.019 3.829 0.190 1
1 750 . 16 1 1 A 68 68 ALA CA C 68 54.690 55.353 -0.663 1
1 751 . 16 1 1 A 68 68 ALA CB C 68 19.964 18.451 1.513 1
1 752 . 16 1 1 A 68 68 ALA N N 68 122.094 120.728 1.366 1
1 753 . 16 1 1 A 69 69 LYS H H 69 7.362 7.941 -0.579 1
1 754 . 16 1 1 A 69 69 LYS HA H 69 3.736 3.960 -0.224 1
1 763 . 16 1 1 A 69 69 LYS CA C 69 58.137 58.875 -0.738 1
1 764 . 16 1 1 A 69 69 LYS CB C 69 32.224 32.008 0.216 1
1 768 . 16 1 1 A 69 69 LYS N N 69 114.807 115.930 -1.123 1
1 769 . 16 1 1 A 70 70 HIS H H 70 7.011 7.576 -0.565 1
1 770 . 16 1 1 A 70 70 HIS HA H 70 4.697 4.368 0.329 1
1 774 . 16 1 1 A 70 70 HIS CA C 70 54.835 57.699 -2.864 1
1 775 . 16 1 1 A 70 70 HIS CB C 70 30.477 30.430 0.047 1
1 777 . 16 1 1 A 70 70 HIS N N 70 112.898 117.141 -4.243 1
1 778 . 16 1 1 A 71 71 CYS H H 71 7.012 7.101 -0.089 1
1 779 . 16 1 1 A 71 71 CYS HA H 71 4.032 4.277 -0.245 1
1 782 . 16 1 1 A 71 71 CYS CA C 71 59.948 58.920 1.028 1
1 783 . 16 1 1 A 71 71 CYS CB C 71 29.752 28.727 1.025 1
1 784 . 16 1 1 A 71 71 CYS N N 71 123.829 118.432 5.397 1
1 785 . 16 1 1 A 72 72 GLN H H 72 9.181 8.781 0.400 1
1 786 . 16 1 1 A 72 72 GLN HA H 72 4.674 4.536 0.138 1
1 793 . 16 1 1 A 72 72 GLN CA C 72 54.224 55.513 -1.289 1
1 794 . 16 1 1 A 72 72 GLN CB C 72 29.049 30.556 -1.507 1
1 796 . 16 1 1 A 72 72 GLN N N 72 128.341 122.085 6.256 1
1 798 . 16 1 1 A 73 73 GLU H H 73 8.396 7.242 1.154 1
1 799 . 16 1 1 A 73 73 GLU HA H 73 4.389 4.289 0.100 1
1 804 . 16 1 1 A 73 73 GLU CA C 73 55.341 56.710 -1.369 1
1 805 . 16 1 1 A 73 73 GLU CB C 73 30.239 30.899 -0.660 1
1 807 . 16 1 1 A 73 73 GLU N N 73 123.309 122.446 0.863 1
1 808 . 16 1 1 A 74 74 ASN H H 74 8.921 9.103 -0.182 1
1 809 . 16 1 1 A 74 74 ASN HA H 74 4.538 4.984 -0.446 1
1 814 . 16 1 1 A 74 74 ASN CA C 74 54.666 53.451 1.215 1
1 815 . 16 1 1 A 74 74 ASN CB C 74 38.301 39.463 -1.162 1
1 816 . 16 1 1 A 74 74 ASN N N 74 124.870 122.821 2.049 1
1 818 . 16 1 1 A 75 75 LYS H H 75 8.847 7.832 1.015 1
1 819 . 16 1 1 A 75 75 LYS HA H 75 4.442 4.675 -0.233 1
1 828 . 16 1 1 A 75 75 LYS CA C 75 54.327 55.255 -0.928 1
1 829 . 16 1 1 A 75 75 LYS CB C 75 30.837 32.962 -2.125 1
1 833 . 16 1 1 A 75 75 LYS N N 75 121.574 117.088 4.486 1
1 834 . 16 1 1 A 76 76 CYS H H 76 7.191 7.347 -0.156 1
1 835 . 16 1 1 A 76 76 CYS HA H 76 4.389 4.426 -0.037 1
1 838 . 16 1 1 A 76 76 CYS CA C 76 57.270 57.858 -0.588 1
1 839 . 16 1 1 A 76 76 CYS CB C 76 30.613 28.099 2.514 1
1 840 . 16 1 1 A 76 76 CYS N N 76 124.350 121.363 2.987 1
1 841 . 16 1 1 A 77 77 PRO HA H 77 4.673 4.510 0.163 1
1 848 . 16 1 1 A 77 77 PRO CA C 77 62.878 64.452 -1.574 1
1 849 . 16 1 1 A 77 77 PRO CB C 77 31.950 32.036 -0.086 1
1 852 . 16 1 1 A 78 78 VAL H H 78 8.974 7.775 1.199 1
1 853 . 16 1 1 A 78 78 VAL HA H 78 4.187 4.185 0.002 1
1 861 . 16 1 1 A 78 78 VAL CA C 78 61.637 60.976 0.661 1
1 862 . 16 1 1 A 78 78 VAL CB C 78 31.654 32.231 -0.577 1
1 865 . 16 1 1 A 78 78 VAL N N 78 128.688 119.540 9.148 1
1 866 . 16 1 1 A 79 79 PRO HA H 79 3.938 4.269 -0.331 1
1 873 . 16 1 1 A 79 79 PRO CA C 79 63.962 65.127 -1.165 1
1 874 . 16 1 1 A 79 79 PRO CB C 79 30.887 31.965 -1.078 1
1 877 . 16 1 1 A 80 80 PHE HA H 80 4.350 4.224 0.126 1
1 884 . 16 1 1 A 80 80 PHE CA C 80 59.032 60.428 -1.396 1
1 885 . 16 1 1 A 80 80 PHE CB C 80 37.686 38.004 -0.318 1
1 888 . 16 1 1 A 81 81 CYS H H 81 7.686 8.278 -0.592 1
1 889 . 16 1 1 A 81 81 CYS HA H 81 4.001 4.067 -0.066 1
1 892 . 16 1 1 A 81 81 CYS CA C 81 64.779 62.511 2.268 1
1 893 . 16 1 1 A 81 81 CYS CB C 81 29.524 26.392 3.132 1
1 894 . 16 1 1 A 81 81 CYS N N 81 124.176 118.578 5.598 1
1 895 . 16 1 1 A 82 82 LEU H H 82 8.267 8.281 -0.014 1
1 896 . 16 1 1 A 82 82 LEU HA H 82 4.010 3.698 0.312 1
1 906 . 16 1 1 A 82 82 LEU CA C 82 58.340 58.184 0.156 1
1 907 . 16 1 1 A 82 82 LEU CB C 82 40.862 41.816 -0.954 1
1 911 . 16 1 1 A 82 82 LEU N N 82 114.980 121.440 -6.460 1
1 912 . 16 1 1 A 83 83 ASN H H 83 7.917 8.328 -0.411 1
1 913 . 16 1 1 A 83 83 ASN HA H 83 4.490 4.672 -0.182 1
1 918 . 16 1 1 A 83 83 ASN CA C 83 56.061 56.327 -0.266 1
1 919 . 16 1 1 A 83 83 ASN CB C 83 38.494 38.456 0.038 1
1 920 . 16 1 1 A 83 83 ASN N N 83 116.542 116.613 -0.071 1
1 922 . 16 1 1 A 84 84 ILE H H 84 8.788 8.190 0.598 1
1 923 . 16 1 1 A 84 84 ILE HA H 84 3.734 3.710 0.024 1
1 933 . 16 1 1 A 84 84 ILE CA C 84 65.142 65.263 -0.121 1
1 934 . 16 1 1 A 84 84 ILE CB C 84 38.039 37.662 0.377 1
1 938 . 16 1 1 A 84 84 ILE N N 84 121.747 120.524 1.223 1
1 939 . 16 1 1 A 85 85 LYS H H 85 8.954 8.429 0.525 1
1 940 . 16 1 1 A 85 85 LYS HA H 85 3.839 4.039 -0.200 1
1 949 . 16 1 1 A 85 85 LYS CA C 85 60.936 58.733 2.203 1
1 950 . 16 1 1 A 85 85 LYS CB C 85 32.041 32.103 -0.062 1
1 954 . 16 1 1 A 85 85 LYS N N 85 119.665 120.436 -0.771 1
1 955 . 16 1 1 A 86 86 HIS H H 86 8.043 7.881 0.162 1
1 956 . 16 1 1 A 86 86 HIS HA H 86 4.411 4.247 0.164 1
1 960 . 16 1 1 A 86 86 HIS CA C 86 58.746 59.378 -0.632 1
1 961 . 16 1 1 A 86 86 HIS CB C 86 30.067 29.988 0.079 1
1 963 . 16 1 1 A 86 86 HIS N N 86 116.542 119.346 -2.804 1
1 964 . 16 1 1 A 87 87 LYS H H 87 7.822 8.046 -0.224 1
1 965 . 16 1 1 A 87 87 LYS HA H 87 4.158 3.979 0.179 1
1 968 . 16 1 1 A 87 87 LYS CA C 87 57.879 59.574 -1.695 1
1 969 . 16 1 1 A 87 87 LYS N N 87 119.318 120.247 -0.929 1
1 970 . 16 1 1 A 88 88 LEU H H 88 8.405 8.496 -0.091 1
1 971 . 16 1 1 A 88 88 LEU HA H 88 4.194 4.008 0.186 1
1 981 . 16 1 1 A 88 88 LEU CA C 88 56.289 57.871 -1.582 1
1 982 . 16 1 1 A 88 88 LEU CB C 88 41.692 41.304 0.388 1
1 986 . 16 1 1 A 88 88 LEU N N 88 119.144 119.544 -0.400 1
1 987 . 16 1 1 A 89 89 ARG H H 89 7.826 8.742 -0.916 1
1 988 . 16 1 1 A 89 89 ARG HA H 89 4.271 3.853 0.418 1
1 995 . 16 1 1 A 89 89 ARG CA C 89 56.666 60.131 -3.465 1
1 996 . 16 1 1 A 89 89 ARG CB C 89 29.965 29.987 -0.022 1
1 999 . 16 1 1 A 89 89 ARG N N 89 118.450 118.014 0.436 1
1 1000 . 16 1 1 A 90 90 GLN H H 90 7.935 7.903 0.032 1
1 1001 . 16 1 1 A 90 90 GLN HA H 90 4.270 4.188 0.082 1
1 1008 . 16 1 1 A 90 90 GLN CA C 90 55.840 57.829 -1.989 1
1 1009 . 16 1 1 A 90 90 GLN CB C 90 28.989 28.366 0.623 1
1 1011 . 16 1 1 A 90 90 GLN N N 90 119.318 116.954 2.364 1
1 1013 . 16 1 1 A 91 91 GLN H H 91 8.141 7.794 0.347 1
1 1014 . 16 1 1 A 91 91 GLN HA H 91 4.352 4.421 -0.069 1
1 1021 . 16 1 1 A 91 91 GLN CA C 91 55.581 56.163 -0.582 1
1 1022 . 16 1 1 A 91 91 GLN CB C 91 29.284 30.530 -1.246 1
1 1024 . 16 1 1 A 91 91 GLN N N 91 120.706 116.656 4.050 1
1 1043 . 16 2 2 B 2 2 SER CB C 707 63.646 63.320 0.326 1
1 1044 . 16 2 2 B 3 3 HIS HA H 708 4.663 5.263 -0.600 1
1 1047 . 16 2 2 B 3 3 HIS CA C 708 56.033 54.625 1.408 1
1 1048 . 16 2 2 B 3 3 HIS CB C 708 30.146 34.196 -4.050 1
1 1053 . 16 2 2 B 5 5 SER H H 710 8.437 8.515 -0.078 1
1 1054 . 16 2 2 B 5 5 SER HA H 710 4.429 4.651 -0.222 1
1 1057 . 16 2 2 B 5 5 SER CA C 710 58.340 59.251 -0.911 1
1 1058 . 16 2 2 B 5 5 SER CB C 710 63.416 64.114 -0.698 1
1 1059 . 16 2 2 B 5 5 SER N N 710 117.160 116.335 0.825 1
1 1060 . 16 2 2 B 6 6 GLU H H 711 8.458 8.896 -0.438 1
1 1061 . 16 2 2 B 6 6 GLU HA H 711 4.311 4.801 -0.490 1
1 1066 . 16 2 2 B 6 6 GLU CA C 711 56.033 55.165 0.868 1
1 1067 . 16 2 2 B 6 6 GLU CB C 711 30.223 31.967 -1.744 1
1 1069 . 16 2 2 B 6 6 GLU N N 711 123.053 121.000 2.053 1
1 1070 . 16 2 2 B 7 7 VAL H H 712 8.150 8.814 -0.664 1
1 1071 . 16 2 2 B 7 7 VAL HA H 712 4.050 3.953 0.097 1
1 1079 . 16 2 2 B 7 7 VAL CA C 712 61.801 64.343 -2.542 1
1 1080 . 16 2 2 B 7 7 VAL CB C 712 32.041 31.766 0.275 1
1 1083 . 16 2 2 B 7 7 VAL N N 712 121.173 116.154 5.019 1
1 1084 . 16 2 2 B 8 8 HIS H H 713 8.495 7.813 0.682 1
1 1085 . 16 2 2 B 8 8 HIS HA H 713 4.914 4.911 0.003 1
1 1089 . 16 2 2 B 8 8 HIS CA C 713 53.945 53.805 0.140 1
1 1090 . 16 2 2 B 8 8 HIS CB C 713 30.218 30.243 -0.025 1
1 1092 . 16 2 2 B 8 8 HIS N N 713 125.310 121.020 4.290 1
1 1093 . 16 2 2 B 9 9 PRO HA H 714 4.430 4.509 -0.079 1
1 1100 . 16 2 2 B 9 9 PRO CA C 714 63.409 62.214 1.195 1
1 1101 . 16 2 2 B 9 9 PRO CB C 714 32.018 32.610 -0.592 1
1 1104 . 16 2 2 B 10 10 SER H H 715 8.889 8.406 0.483 1
1 1105 . 16 2 2 B 10 10 SER HA H 715 4.437 4.514 -0.077 1
1 1108 . 16 2 2 B 10 10 SER CA C 715 58.571 58.297 0.274 1
1 1109 . 16 2 2 B 10 10 SER CB C 715 63.213 63.700 -0.487 1
1 1110 . 16 2 2 B 10 10 SER N N 715 116.533 116.704 -0.171 1
1 1111 . 16 2 2 B 11 11 ARG H H 716 8.442 8.537 -0.095 1
1 1112 . 16 2 2 B 11 11 ARG HA H 716 4.388 4.209 0.179 1
1 1119 . 16 2 2 B 11 11 ARG CA C 716 55.882 57.975 -2.093 1
1 1120 . 16 2 2 B 11 11 ARG CB C 716 30.395 30.288 0.107 1
1 1123 . 16 2 2 B 11 11 ARG N N 716 122.803 123.664 -0.861 1
1 1124 . 16 2 2 B 12 12 LEU H H 717 8.133 7.687 0.446 1
1 1125 . 16 2 2 B 12 12 LEU HA H 717 4.356 4.919 -0.563 1
1 1135 . 16 2 2 B 12 12 LEU CA C 717 54.880 53.599 1.281 1
1 1136 . 16 2 2 B 12 12 LEU CB C 717 42.081 46.916 -4.835 1
1 1140 . 16 2 2 B 12 12 LEU N N 717 122.552 119.438 3.114 1
1 1141 . 16 2 2 B 13 13 GLN H H 718 8.440 8.350 0.090 1
1 1142 . 16 2 2 B 13 13 GLN HA H 718 4.454 4.797 -0.343 1
1 1149 . 16 2 2 B 13 13 GLN CA C 718 55.341 53.979 1.362 1
1 1150 . 16 2 2 B 13 13 GLN CB C 718 29.285 32.582 -3.297 1
1 1152 . 16 2 2 B 13 13 GLN N N 718 121.298 121.452 -0.154 1
1 1154 . 16 2 2 B 14 14 THR H H 719 8.257 8.624 -0.367 1
1 1155 . 16 2 2 B 14 14 THR HA H 719 4.438 4.255 0.183 1
1 1160 . 16 2 2 B 14 14 THR CA C 719 61.339 63.484 -2.145 1
1 1161 . 16 2 2 B 14 14 THR CB C 719 69.456 69.775 -0.319 1
1 1163 . 16 2 2 B 14 14 THR N N 719 115.154 115.859 -0.705 1
1 1164 . 16 2 2 B 15 15 THR H H 720 8.240 8.059 0.181 1
1 1165 . 16 2 2 B 15 15 THR HA H 720 4.275 4.042 0.233 1
1 1170 . 16 2 2 B 15 15 THR CA C 720 61.967 62.861 -0.894 1
1 1171 . 16 2 2 B 15 15 THR CB C 720 69.183 66.463 2.720 1
1 1173 . 16 2 2 B 15 15 THR N N 720 115.029 116.079 -1.050 1
1 1174 . 16 2 2 B 16 16 ASP H H 721 8.293 8.215 0.078 1
1 1175 . 16 2 2 B 16 16 ASP HA H 721 4.494 4.902 -0.408 1
1 1178 . 16 2 2 B 16 16 ASP CA C 721 54.880 53.167 1.713 1
1 1179 . 16 2 2 B 16 16 ASP CB C 721 40.891 42.050 -1.159 1
1 1180 . 16 2 2 B 16 16 ASP N N 721 122.427 120.132 2.295 1
1 1181 . 16 2 2 B 17 17 ASN H H 722 8.272 7.963 0.309 1
1 1182 . 16 2 2 B 17 17 ASN HA H 722 4.577 5.016 -0.439 1
1 1187 . 16 2 2 B 17 17 ASN CA C 722 53.330 52.190 1.140 1
1 1188 . 16 2 2 B 17 17 ASN CB C 722 38.332 39.655 -1.323 1
1 1189 . 16 2 2 B 17 17 ASN N N 722 118.916 117.937 0.979 1
1 1191 . 16 2 2 B 18 18 LEU H H 723 8.204 7.703 0.501 1
1 1192 . 16 2 2 B 18 18 LEU HA H 723 4.191 4.196 -0.005 1
1 1202 . 16 2 2 B 18 18 LEU CA C 723 54.200 56.949 -2.749 1
1 1203 . 16 2 2 B 18 18 LEU CB C 723 43.545 41.532 2.013 1
1 1207 . 16 2 2 B 18 18 LEU N N 723 121.173 119.078 2.095 1
1 1208 . 16 2 2 B 19 19 LEU H H 724 7.416 7.484 -0.068 1
1 1209 . 16 2 2 B 19 19 LEU HA H 724 4.273 4.328 -0.055 1
1 1219 . 16 2 2 B 19 19 LEU CA C 724 52.415 53.929 -1.514 1
1 1220 . 16 2 2 B 19 19 LEU CB C 724 40.471 42.215 -1.744 1
1 1224 . 16 2 2 B 19 19 LEU N N 724 117.286 121.774 -4.488 1
1 1225 . 16 2 2 B 20 20 PRO HA H 725 4.271 4.517 -0.246 1
1 1232 . 16 2 2 B 20 20 PRO CA C 725 63.877 64.167 -0.290 1
1 1233 . 16 2 2 B 20 20 PRO CB C 725 32.716 31.952 0.764 1
1 1236 . 16 2 2 B 21 21 MET H H 726 8.932 7.584 1.348 1
1 1237 . 16 2 2 B 21 21 MET HA H 726 4.841 4.862 -0.021 1
1 1245 . 16 2 2 B 21 21 MET CA C 726 54.199 54.414 -0.215 1
1 1246 . 16 2 2 B 21 21 MET CB C 726 36.939 35.670 1.269 1
1 1249 . 16 2 2 B 21 21 MET N N 726 116.784 119.395 -2.611 1
1 1250 . 16 2 2 B 22 22 SER H H 727 8.956 8.921 0.035 1
1 1251 . 16 2 2 B 22 22 SER HA H 727 4.771 4.811 -0.040 1
1 1254 . 16 2 2 B 22 22 SER CA C 727 56.255 55.430 0.825 1
1 1255 . 16 2 2 B 22 22 SER CB C 727 62.528 63.262 -0.734 1
1 1256 . 16 2 2 B 22 22 SER N N 727 119.167 120.433 -1.266 1
1 1257 . 16 2 2 B 23 23 PRO HA H 728 4.312 4.233 0.079 1
1 1264 . 16 2 2 B 23 23 PRO CA C 728 65.953 65.610 0.343 1
1 1265 . 16 2 2 B 23 23 PRO CB C 728 31.810 31.817 -0.007 1
1 1268 . 16 2 2 B 24 24 GLU H H 729 8.877 8.078 0.799 1
1 1269 . 16 2 2 B 24 24 GLU HA H 729 4.163 4.102 0.061 1
1 1274 . 16 2 2 B 24 24 GLU CA C 729 59.748 59.714 0.034 1
1 1275 . 16 2 2 B 24 24 GLU CB C 729 28.819 29.139 -0.320 1
1 1277 . 16 2 2 B 24 24 GLU N N 729 116.283 118.008 -1.725 1
1 1278 . 16 2 2 B 25 25 GLU H H 730 7.789 7.579 0.210 1
1 1279 . 16 2 2 B 25 25 GLU HA H 730 3.787 3.989 -0.202 1
1 1284 . 16 2 2 B 25 25 GLU CA C 730 59.266 58.936 0.330 1
1 1285 . 16 2 2 B 25 25 GLU CB C 730 29.501 29.709 -0.208 1
1 1287 . 16 2 2 B 25 25 GLU N N 730 121.298 120.739 0.559 1
1 1288 . 16 2 2 B 26 26 PHE H H 731 8.730 8.695 0.035 1
1 1289 . 16 2 2 B 26 26 PHE HA H 731 4.364 4.171 0.193 1
1 1296 . 16 2 2 B 26 26 PHE CA C 731 59.724 61.416 -1.692 1
1 1297 . 16 2 2 B 26 26 PHE CB C 731 38.230 39.541 -1.311 1
1 1300 . 16 2 2 B 26 26 PHE N N 731 119.543 121.475 -1.932 1
1 1301 . 16 2 2 B 27 27 ASP H H 732 8.587 8.585 0.002 1
1 1302 . 16 2 2 B 27 27 ASP HA H 732 4.097 4.280 -0.183 1
1 1305 . 16 2 2 B 27 27 ASP CA C 732 57.256 57.719 -0.463 1
1 1306 . 16 2 2 B 27 27 ASP CB C 732 40.421 41.410 -0.989 1
1 1307 . 16 2 2 B 27 27 ASP N N 732 121.549 118.779 2.770 1
1 1308 . 16 2 2 B 28 28 GLU H H 733 7.383 7.756 -0.373 1
1 1309 . 16 2 2 B 28 28 GLU HA H 733 4.155 4.062 0.093 1
1 1314 . 16 2 2 B 28 28 GLU CA C 733 58.749 59.056 -0.307 1
1 1315 . 16 2 2 B 28 28 GLU CB C 733 28.933 29.380 -0.447 1
1 1317 . 16 2 2 B 28 28 GLU N N 733 119.793 119.465 0.328 1
1 1318 . 16 2 2 B 29 29 VAL H H 734 8.246 8.180 0.066 1
1 1319 . 16 2 2 B 29 29 VAL HA H 734 3.595 3.493 0.102 1
1 1327 . 16 2 2 B 29 29 VAL CA C 734 66.219 66.172 0.047 1
1 1328 . 16 2 2 B 29 29 VAL CB C 734 31.362 31.621 -0.259 1
1 1331 . 16 2 2 B 29 29 VAL N N 734 118.540 120.842 -2.302 1
1 1332 . 16 2 2 B 30 30 SER H H 735 8.384 8.193 0.191 1
1 1333 . 16 2 2 B 30 30 SER HA H 735 3.912 3.798 0.114 1
1 1336 . 16 2 2 B 30 30 SER CA C 735 61.703 62.121 -0.418 1
1 1337 . 16 2 2 B 30 30 SER CB C 735 62.059 62.551 -0.492 1
1 1338 . 16 2 2 B 30 30 SER N N 735 115.154 114.660 0.494 1
1 1339 . 16 2 2 B 31 31 ARG H H 736 7.683 8.030 -0.347 1
1 1340 . 16 2 2 B 31 31 ARG HA H 736 4.027 4.018 0.009 1
1 1348 . 16 2 2 B 31 31 ARG CA C 736 58.571 58.821 -0.250 1
1 1349 . 16 2 2 B 31 31 ARG CB C 736 30.068 29.860 0.208 1
1 1352 . 16 2 2 B 31 31 ARG N N 736 121.549 121.646 -0.097 1
1 1354 . 16 2 2 B 32 32 ILE H H 737 7.703 7.171 0.532 1
1 1355 . 16 2 2 B 32 32 ILE HA H 737 3.859 3.905 -0.046 1
1 1365 . 16 2 2 B 32 32 ILE CA C 737 63.445 64.009 -0.564 1
1 1366 . 16 2 2 B 32 32 ILE CB C 737 38.332 38.147 0.185 1
1 1370 . 16 2 2 B 32 32 ILE N N 737 119.167 120.210 -1.043 1
1 1371 . 16 2 2 B 33 33 VAL H H 738 8.293 7.874 0.419 1
1 1372 . 16 2 2 B 33 33 VAL HA H 738 3.901 3.839 0.062 1
1 1380 . 16 2 2 B 33 33 VAL CA C 738 63.805 64.804 -0.999 1
1 1381 . 16 2 2 B 33 33 VAL CB C 738 32.408 31.812 0.596 1
1 1384 . 16 2 2 B 33 33 VAL N N 738 116.157 119.503 -3.346 1
1 1385 . 16 2 2 B 34 34 GLY H H 739 7.868 7.698 0.170 1
1 1386 . 16 2 2 B 34 34 GLY HA2 H 739 3.813 3.820 -0.007 1
1 1387 . 16 2 2 B 34 34 GLY HA3 H 739 4.120 3.841 0.279 1
1 1388 . 16 2 2 B 34 34 GLY CA C 739 44.831 46.361 -1.530 1
1 1389 . 16 2 2 B 34 34 GLY N N 739 108.258 110.031 -1.773 1
1 1390 . 16 2 2 B 35 35 SER H H 740 8.366 8.131 0.235 1
1 1391 . 16 2 2 B 35 35 SER HA H 740 4.389 3.809 0.580 1
1 1394 . 16 2 2 B 35 35 SER CA C 740 58.261 59.074 -0.813 1
1 1395 . 16 2 2 B 35 35 SER CB C 740 62.663 61.677 0.986 1
1 1396 . 16 2 2 B 35 35 SER N N 740 116.408 108.776 7.632 1
1 1397 . 16 2 2 B 36 36 VAL H H 741 7.897 7.376 0.521 1
1 1398 . 16 2 2 B 36 36 VAL HA H 741 4.054 3.830 0.224 1
1 1406 . 16 2 2 B 36 36 VAL CA C 741 61.737 65.859 -4.122 1
1 1407 . 16 2 2 B 36 36 VAL CB C 741 33.084 31.523 1.561 1
1 1410 . 16 2 2 B 36 36 VAL N N 741 122.928 119.834 3.094 1
1 1411 . 16 2 2 B 37 37 GLU H H 742 8.468 8.105 0.363 1
1 1412 . 16 2 2 B 37 37 GLU HA H 742 4.306 4.709 -0.403 1
1 1417 . 16 2 2 B 37 37 GLU CA C 742 55.803 55.858 -0.055 1
1 1418 . 16 2 2 B 37 37 GLU CB C 742 29.029 30.901 -1.872 1
1 1420 . 16 2 2 B 37 37 GLU N N 742 124.057 119.359 4.698 1
1 1421 . 16 2 2 B 38 38 PHE H H 743 8.222 7.653 0.569 1
1 1422 . 16 2 2 B 38 38 PHE HA H 743 4.360 4.095 0.265 1
1 1429 . 16 2 2 B 38 38 PHE CA C 743 59.263 61.676 -2.413 1
1 1430 . 16 2 2 B 38 38 PHE CB C 743 39.524 39.373 0.151 1
1 1433 . 16 2 2 B 38 38 PHE N N 743 122.427 121.722 0.705 1
1 1434 . 16 2 2 B 39 39 ASP H H 744 8.602 8.799 -0.197 1
1 1435 . 16 2 2 B 39 39 ASP HA H 744 4.380 4.376 0.004 1
1 1438 . 16 2 2 B 39 39 ASP CA C 744 56.495 55.186 1.309 1
1 1439 . 16 2 2 B 39 39 ASP CB C 744 40.119 39.425 0.694 1
1 1440 . 16 2 2 B 39 39 ASP N N 744 120.044 117.518 2.526 1
1 1441 . 16 2 2 B 40 40 SER H H 745 8.143 8.063 0.080 1
1 1442 . 16 2 2 B 40 40 SER HA H 745 4.328 4.713 -0.385 1
1 1445 . 16 2 2 B 40 40 SER CA C 745 59.724 57.208 2.516 1
1 1446 . 16 2 2 B 40 40 SER CB C 745 62.723 63.709 -0.986 1
1 1447 . 16 2 2 B 40 40 SER N N 745 114.527 115.452 -0.925 1
1 1448 . 16 2 2 B 41 41 MET H H 746 7.930 7.487 0.443 1
1 1449 . 16 2 2 B 41 41 MET HA H 746 4.374 4.305 0.069 1
1 1457 . 16 2 2 B 41 41 MET CA C 746 56.244 57.175 -0.931 1
1 1458 . 16 2 2 B 41 41 MET CB C 746 32.502 31.304 1.198 1
1 1461 . 16 2 2 B 41 41 MET N N 746 120.044 120.520 -0.476 1
1 1462 . 16 2 2 B 42 42 MET H H 747 7.784 8.018 -0.234 1
1 1463 . 16 2 2 B 42 42 MET HA H 747 4.232 4.384 -0.152 1
1 1471 . 16 2 2 B 42 42 MET CA C 747 55.830 56.908 -1.078 1
1 1472 . 16 2 2 B 42 42 MET CB C 747 32.502 32.253 0.249 1
1 1475 . 16 2 2 B 42 42 MET N N 747 117.035 115.857 1.178 1
1 1476 . 16 2 2 B 43 43 ASN H H 748 7.960 7.852 0.108 1
1 1477 . 16 2 2 B 43 43 ASN HA H 748 4.831 4.885 -0.054 1
1 1482 . 16 2 2 B 43 43 ASN CA C 748 53.146 52.585 0.561 1
1 1483 . 16 2 2 B 43 43 ASN CB C 748 38.795 40.240 -1.445 1
1 1484 . 16 2 2 B 43 43 ASN N N 748 117.537 119.471 -1.934 1
1 1486 . 16 2 2 B 44 44 THR H H 749 8.039 8.775 -0.736 1
1 1487 . 16 2 2 B 44 44 THR HA H 749 4.432 4.212 0.220 1
1 1492 . 16 2 2 B 44 44 THR CA C 749 61.570 65.029 -3.459 1
1 1493 . 16 2 2 B 44 44 THR CB C 749 69.644 68.989 0.655 1
1 1495 . 16 2 2 B 44 44 THR N N 749 114.026 120.078 -6.052 1
1 6 . 17 1 1 A 2 2 PRO HA H 2 4.396 4.352 0.044 1
1 13 . 17 1 1 A 2 2 PRO CA C 2 65.107 66.124 -1.017 1
1 14 . 17 1 1 A 2 2 PRO CB C 2 31.810 31.330 0.480 1
1 17 . 17 1 1 A 3 3 GLN H H 3 8.509 8.413 0.096 1
1 18 . 17 1 1 A 3 3 GLN HA H 3 3.962 4.059 -0.097 1
1 25 . 17 1 1 A 3 3 GLN CA C 3 59.223 58.678 0.545 1
1 26 . 17 1 1 A 3 3 GLN CB C 3 28.119 27.752 0.367 1
1 28 . 17 1 1 A 3 3 GLN N N 3 117.064 117.793 -0.729 1
1 30 . 17 1 1 A 4 4 GLU H H 4 7.950 8.318 -0.368 1
1 31 . 17 1 1 A 4 4 GLU HA H 4 4.105 4.057 0.048 1
1 36 . 17 1 1 A 4 4 GLU CA C 4 58.778 59.384 -0.606 1
1 37 . 17 1 1 A 4 4 GLU CB C 4 29.734 29.333 0.401 1
1 39 . 17 1 1 A 4 4 GLU N N 4 121.574 121.007 0.567 1
1 40 . 17 1 1 A 5 5 SER H H 5 8.511 7.879 0.632 1
1 41 . 17 1 1 A 5 5 SER HA H 5 4.238 4.105 0.133 1
1 44 . 17 1 1 A 5 5 SER CA C 5 61.377 61.454 -0.077 1
1 45 . 17 1 1 A 5 5 SER CB C 5 62.351 62.955 -0.604 1
1 46 . 17 1 1 A 5 5 SER N N 5 115.674 115.858 -0.184 1
1 47 . 17 1 1 A 6 6 ARG H H 6 8.276 7.654 0.622 1
1 48 . 17 1 1 A 6 6 ARG HA H 6 4.324 4.083 0.241 1
1 55 . 17 1 1 A 6 6 ARG CA C 6 58.988 59.461 -0.473 1
1 56 . 17 1 1 A 6 6 ARG CB C 6 30.426 30.110 0.316 1
1 59 . 17 1 1 A 6 6 ARG N N 6 122.441 121.906 0.535 1
1 60 . 17 1 1 A 7 7 ARG H H 7 8.015 8.115 -0.100 1
1 61 . 17 1 1 A 7 7 ARG HA H 7 3.955 4.151 -0.196 1
1 68 . 17 1 1 A 7 7 ARG CA C 7 59.724 58.943 0.781 1
1 69 . 17 1 1 A 7 7 ARG CB C 7 29.965 29.969 -0.004 1
1 72 . 17 1 1 A 7 7 ARG N N 7 119.491 119.805 -0.314 1
1 73 . 17 1 1 A 8 8 LEU H H 8 8.158 8.481 -0.323 1
1 74 . 17 1 1 A 8 8 LEU HA H 8 4.161 4.054 0.107 1
1 84 . 17 1 1 A 8 8 LEU CA C 8 57.686 57.859 -0.173 1
1 85 . 17 1 1 A 8 8 LEU CB C 8 41.312 41.476 -0.164 1
1 89 . 17 1 1 A 8 8 LEU N N 8 120.359 120.078 0.281 1
1 90 . 17 1 1 A 9 9 SER H H 9 8.090 7.786 0.304 1
1 91 . 17 1 1 A 9 9 SER HA H 9 4.292 4.120 0.172 1
1 94 . 17 1 1 A 9 9 SER CA C 9 61.570 62.402 -0.832 1
1 95 . 17 1 1 A 9 9 SER CB C 9 62.493 62.880 -0.387 1
1 96 . 17 1 1 A 9 9 SER N N 9 116.178 113.835 2.343 1
1 97 . 17 1 1 A 10 10 ILE H H 10 8.396 7.956 0.440 1
1 98 . 17 1 1 A 10 10 ILE HA H 10 3.505 3.507 -0.002 1
1 108 . 17 1 1 A 10 10 ILE CA C 10 65.608 65.150 0.458 1
1 109 . 17 1 1 A 10 10 ILE CB C 10 37.706 37.462 0.244 1
1 113 . 17 1 1 A 10 10 ILE N N 10 122.840 121.480 1.360 1
1 114 . 17 1 1 A 11 11 GLN H H 11 8.142 7.926 0.216 1
1 115 . 17 1 1 A 11 11 GLN HA H 11 4.032 4.021 0.011 1
1 122 . 17 1 1 A 11 11 GLN CA C 11 59.060 59.257 -0.197 1
1 123 . 17 1 1 A 11 11 GLN CB C 11 27.888 28.426 -0.538 1
1 125 . 17 1 1 A 11 11 GLN N N 11 119.144 118.965 0.179 1
1 127 . 17 1 1 A 12 12 ARG H H 12 8.330 7.637 0.693 1
1 128 . 17 1 1 A 12 12 ARG HA H 12 4.179 4.012 0.167 1
1 135 . 17 1 1 A 12 12 ARG CA C 12 59.494 59.298 0.196 1
1 136 . 17 1 1 A 12 12 ARG CB C 12 29.734 29.924 -0.190 1
1 138 . 17 1 1 A 12 12 ARG N N 12 120.186 118.832 1.354 1
1 139 . 17 1 1 A 13 13 CYS H H 13 8.242 8.034 0.208 1
1 140 . 17 1 1 A 13 13 CYS HA H 13 4.231 4.113 0.118 1
1 143 . 17 1 1 A 13 13 CYS CA C 13 63.289 63.914 -0.625 1
1 144 . 17 1 1 A 13 13 CYS CB C 13 26.505 27.127 -0.622 1
1 145 . 17 1 1 A 13 13 CYS N N 13 121.574 120.280 1.294 1
1 146 . 17 1 1 A 14 14 ILE H H 14 8.493 8.513 -0.020 1
1 147 . 17 1 1 A 14 14 ILE HA H 14 3.787 3.556 0.231 1
1 157 . 17 1 1 A 14 14 ILE CA C 14 64.269 65.393 -1.124 1
1 158 . 17 1 1 A 14 14 ILE CB C 14 36.597 37.683 -1.086 1
1 162 . 17 1 1 A 14 14 ILE N N 14 120.012 119.726 0.286 1
1 163 . 17 1 1 A 15 15 GLN H H 15 8.468 8.388 0.080 1
1 164 . 17 1 1 A 15 15 GLN HA H 15 4.107 3.965 0.142 1
1 171 . 17 1 1 A 15 15 GLN CA C 15 58.969 59.013 -0.044 1
1 172 . 17 1 1 A 15 15 GLN CB C 15 27.843 28.602 -0.759 1
1 174 . 17 1 1 A 15 15 GLN N N 15 119.665 118.975 0.690 1
1 176 . 17 1 1 A 16 16 SER H H 16 8.409 8.022 0.387 1
1 177 . 17 1 1 A 16 16 SER HA H 16 4.424 4.099 0.325 1
1 180 . 17 1 1 A 16 16 SER CA C 16 61.726 62.510 -0.784 1
1 181 . 17 1 1 A 16 16 SER CB C 16 62.564 63.069 -0.505 1
1 182 . 17 1 1 A 16 16 SER N N 16 117.062 116.029 1.033 1
1 183 . 17 1 1 A 17 17 LEU H H 17 8.235 8.097 0.138 1
1 184 . 17 1 1 A 17 17 LEU HA H 17 4.103 4.075 0.028 1
1 194 . 17 1 1 A 17 17 LEU CA C 17 58.340 57.865 0.475 1
1 195 . 17 1 1 A 17 17 LEU CB C 17 41.961 41.656 0.305 1
1 199 . 17 1 1 A 17 17 LEU N N 17 125.564 122.822 2.742 1
1 200 . 17 1 1 A 18 18 VAL H H 18 8.603 8.331 0.272 1
1 201 . 17 1 1 A 18 18 VAL HA H 18 3.261 3.561 -0.300 1
1 209 . 17 1 1 A 18 18 VAL CA C 18 67.097 66.527 0.570 1
1 210 . 17 1 1 A 18 18 VAL CB C 18 31.589 31.507 0.082 1
1 213 . 17 1 1 A 18 18 VAL N N 18 119.665 118.852 0.813 1
1 214 . 17 1 1 A 19 19 HIS H H 19 8.083 8.255 -0.172 1
1 215 . 17 1 1 A 19 19 HIS HA H 19 4.231 4.185 0.046 1
1 219 . 17 1 1 A 19 19 HIS CA C 19 59.641 60.184 -0.543 1
1 220 . 17 1 1 A 19 19 HIS CB C 19 26.966 29.632 -2.666 1
1 222 . 17 1 1 A 19 19 HIS N N 19 116.094 119.334 -3.240 1
1 223 . 17 1 1 A 20 20 ALA H H 20 8.796 8.439 0.357 1
1 224 . 17 1 1 A 20 20 ALA HA H 20 4.308 4.012 0.296 1
1 228 . 17 1 1 A 20 20 ALA CA C 20 55.341 55.176 0.165 1
1 229 . 17 1 1 A 20 20 ALA CB C 20 20.026 18.359 1.667 1
1 230 . 17 1 1 A 20 20 ALA N N 20 121.747 120.402 1.345 1
1 231 . 17 1 1 A 21 21 CYS H H 21 7.909 7.975 -0.066 1
1 232 . 17 1 1 A 21 21 CYS HA H 21 4.294 4.239 0.055 1
1 235 . 17 1 1 A 21 21 CYS CA C 21 61.665 61.539 0.126 1
1 236 . 17 1 1 A 21 21 CYS CB C 21 26.764 27.033 -0.269 1
1 237 . 17 1 1 A 21 21 CYS N N 21 111.875 115.781 -3.906 1
1 238 . 17 1 1 A 22 22 GLN H H 22 7.357 7.562 -0.205 1
1 239 . 17 1 1 A 22 22 GLN HA H 22 4.531 4.335 0.196 1
1 246 . 17 1 1 A 22 22 GLN CA C 22 54.445 56.306 -1.861 1
1 247 . 17 1 1 A 22 22 GLN CB C 22 30.608 30.172 0.436 1
1 249 . 17 1 1 A 22 22 GLN N N 22 116.021 117.050 -1.029 1
1 251 . 17 1 1 A 23 23 CYS H H 23 7.229 7.744 -0.515 1
1 252 . 17 1 1 A 23 23 CYS HA H 23 3.947 4.318 -0.371 1
1 255 . 17 1 1 A 23 23 CYS CA C 23 59.996 59.383 0.613 1
1 256 . 17 1 1 A 23 23 CYS CB C 23 29.000 28.551 0.449 1
1 257 . 17 1 1 A 23 23 CYS N N 23 124.350 118.238 6.112 1
1 258 . 17 1 1 A 24 24 ARG H H 24 8.966 8.762 0.204 1
1 259 . 17 1 1 A 24 24 ARG HA H 24 4.590 4.598 -0.008 1
1 266 . 17 1 1 A 24 24 ARG CA C 24 54.306 56.008 -1.702 1
1 267 . 17 1 1 A 24 24 ARG CB C 24 29.771 32.402 -2.631 1
1 270 . 17 1 1 A 24 24 ARG N N 24 129.729 122.933 6.796 1
1 271 . 17 1 1 A 25 25 ASN H H 25 7.823 7.737 0.086 1
1 272 . 17 1 1 A 25 25 ASN HA H 25 4.853 4.479 0.374 1
1 277 . 17 1 1 A 25 25 ASN CA C 25 51.372 54.048 -2.676 1
1 278 . 17 1 1 A 25 25 ASN CB C 25 38.727 40.217 -1.490 1
1 279 . 17 1 1 A 25 25 ASN N N 25 120.186 119.290 0.896 1
1 281 . 17 1 1 A 26 26 ALA H H 26 9.248 8.847 0.401 1
1 282 . 17 1 1 A 26 26 ALA HA H 26 4.091 4.038 0.053 1
1 286 . 17 1 1 A 26 26 ALA CA C 26 54.027 54.719 -0.692 1
1 287 . 17 1 1 A 26 26 ALA CB C 26 18.209 18.668 -0.459 1
1 288 . 17 1 1 A 26 26 ALA N N 26 130.423 128.472 1.951 1
1 289 . 17 1 1 A 27 27 ASN H H 27 8.085 8.040 0.045 1
1 290 . 17 1 1 A 27 27 ASN HA H 27 4.834 4.973 -0.139 1
1 295 . 17 1 1 A 27 27 ASN CA C 27 51.625 52.236 -0.611 1
1 296 . 17 1 1 A 27 27 ASN CB C 27 38.577 39.230 -0.653 1
1 297 . 17 1 1 A 27 27 ASN N N 27 113.766 114.429 -0.663 1
1 299 . 17 1 1 A 28 28 CYS H H 28 7.209 7.588 -0.379 1
1 300 . 17 1 1 A 28 28 CYS HA H 28 4.053 4.332 -0.279 1
1 303 . 17 1 1 A 28 28 CYS CA C 28 61.312 59.866 1.446 1
1 304 . 17 1 1 A 28 28 CYS CB C 28 29.674 28.889 0.785 1
1 305 . 17 1 1 A 28 28 CYS N N 28 123.309 120.623 2.686 1
1 306 . 17 1 1 A 29 29 SER H H 29 8.922 8.619 0.303 1
1 307 . 17 1 1 A 29 29 SER HA H 29 4.609 4.185 0.424 1
1 310 . 17 1 1 A 29 29 SER CA C 29 57.450 60.981 -3.531 1
1 311 . 17 1 1 A 29 29 SER CB C 29 63.604 62.832 0.772 1
1 312 . 17 1 1 A 29 29 SER N N 29 124.870 120.066 4.804 1
1 313 . 17 1 1 A 30 30 LEU H H 30 8.513 7.588 0.925 1
1 314 . 17 1 1 A 30 30 LEU HA H 30 4.497 4.408 0.089 1
1 324 . 17 1 1 A 30 30 LEU CA C 30 53.980 52.839 1.141 1
1 325 . 17 1 1 A 30 30 LEU CB C 30 40.643 41.666 -1.023 1
1 329 . 17 1 1 A 30 30 LEU N N 30 128.341 125.107 3.234 1
1 330 . 17 1 1 A 31 31 PRO HA H 31 4.329 4.275 0.054 1
1 337 . 17 1 1 A 31 31 PRO CA C 31 65.026 64.778 0.248 1
1 338 . 17 1 1 A 31 31 PRO CB C 31 31.580 32.206 -0.626 1
1 341 . 17 1 1 A 32 32 SER H H 32 8.537 8.097 0.440 1
1 342 . 17 1 1 A 32 32 SER HA H 32 4.287 4.196 0.091 1
1 345 . 17 1 1 A 32 32 SER CA C 32 60.277 61.391 -1.114 1
1 346 . 17 1 1 A 32 32 SER CB C 32 62.277 62.505 -0.228 1
1 347 . 17 1 1 A 32 32 SER N N 32 112.551 111.933 0.618 1
1 348 . 17 1 1 A 33 33 CYS H H 33 7.523 8.101 -0.578 1
1 349 . 17 1 1 A 33 33 CYS HA H 33 4.170 3.938 0.232 1
1 352 . 17 1 1 A 33 33 CYS CA C 33 63.408 62.978 0.430 1
1 353 . 17 1 1 A 33 33 CYS CB C 33 29.503 26.566 2.937 1
1 354 . 17 1 1 A 33 33 CYS N N 33 126.085 120.622 5.463 1
1 355 . 17 1 1 A 34 34 GLN H H 34 8.102 7.906 0.196 1
1 356 . 17 1 1 A 34 34 GLN HA H 34 3.963 4.072 -0.109 1
1 359 . 17 1 1 A 34 34 GLN N N 34 115.711 118.932 -3.221 1
1 361 . 17 1 1 A 35 35 LYS H H 35 8.093 7.777 0.316 1
1 362 . 17 1 1 A 35 35 LYS HA H 35 3.994 4.149 -0.155 1
1 371 . 17 1 1 A 35 35 LYS CA C 35 59.502 59.173 0.329 1
1 372 . 17 1 1 A 35 35 LYS CB C 35 32.273 32.402 -0.129 1
1 376 . 17 1 1 A 35 35 LYS N N 35 117.930 120.864 -2.934 1
1 377 . 17 1 1 A 36 36 MET H H 36 8.237 8.663 -0.426 1
1 378 . 17 1 1 A 36 36 MET HA H 36 4.488 4.100 0.388 1
1 386 . 17 1 1 A 36 36 MET CA C 36 56.725 59.249 -2.524 1
1 387 . 17 1 1 A 36 36 MET CB C 36 30.954 32.453 -1.499 1
1 390 . 17 1 1 A 36 36 MET N N 36 117.062 118.546 -1.484 1
1 391 . 17 1 1 A 37 37 LYS H H 37 9.107 8.130 0.977 1
1 392 . 17 1 1 A 37 37 LYS HA H 37 3.900 4.011 -0.111 1
1 401 . 17 1 1 A 37 37 LYS CA C 37 61.097 59.974 1.123 1
1 402 . 17 1 1 A 37 37 LYS CB C 37 32.947 32.316 0.631 1
1 406 . 17 1 1 A 37 37 LYS N N 37 120.186 119.240 0.946 1
1 407 . 17 1 1 A 38 38 ARG H H 38 7.781 7.460 0.321 1
1 408 . 17 1 1 A 38 38 ARG HA H 38 4.127 4.107 0.020 1
1 413 . 17 1 1 A 38 38 ARG CA C 38 59.263 59.221 0.042 1
1 414 . 17 1 1 A 38 38 ARG CB C 38 29.965 29.907 0.058 1
1 416 . 17 1 1 A 38 38 ARG N N 38 118.971 119.646 -0.675 1
1 417 . 17 1 1 A 39 39 VAL H H 39 8.289 7.927 0.362 1
1 418 . 17 1 1 A 39 39 VAL HA H 39 3.539 3.709 -0.170 1
1 426 . 17 1 1 A 39 39 VAL CA C 39 66.989 66.511 0.478 1
1 427 . 17 1 1 A 39 39 VAL CB C 39 31.451 31.747 -0.296 1
1 430 . 17 1 1 A 39 39 VAL N N 39 123.829 119.969 3.860 1
1 431 . 17 1 1 A 40 40 VAL H H 40 8.318 8.411 -0.093 1
1 432 . 17 1 1 A 40 40 VAL HA H 40 3.528 3.808 -0.280 1
1 440 . 17 1 1 A 40 40 VAL CA C 40 67.050 65.293 1.757 1
1 441 . 17 1 1 A 40 40 VAL CB C 40 31.608 31.289 0.319 1
1 444 . 17 1 1 A 40 40 VAL N N 40 119.665 120.429 -0.764 1
1 445 . 17 1 1 A 41 41 GLN H H 41 8.263 8.224 0.039 1
1 446 . 17 1 1 A 41 41 GLN HA H 41 3.974 3.947 0.027 1
1 453 . 17 1 1 A 41 41 GLN CA C 41 58.571 59.165 -0.594 1
1 454 . 17 1 1 A 41 41 GLN CB C 41 28.018 28.369 -0.351 1
1 456 . 17 1 1 A 41 41 GLN N N 41 118.450 122.139 -3.689 1
1 458 . 17 1 1 A 42 42 HIS H H 42 8.309 8.026 0.283 1
1 459 . 17 1 1 A 42 42 HIS HA H 42 4.215 4.356 -0.141 1
1 463 . 17 1 1 A 42 42 HIS CA C 42 59.402 59.524 -0.122 1
1 464 . 17 1 1 A 42 42 HIS CB C 42 26.966 30.352 -3.386 1
1 466 . 17 1 1 A 42 42 HIS N N 42 118.971 120.157 -1.186 1
1 467 . 17 1 1 A 43 43 THR H H 43 8.056 8.126 -0.070 1
1 468 . 17 1 1 A 43 43 THR HA H 43 3.929 3.705 0.224 1
1 474 . 17 1 1 A 43 43 THR CA C 43 66.101 66.987 -0.886 1
1 475 . 17 1 1 A 43 43 THR CB C 43 69.107 68.139 0.968 1
1 477 . 17 1 1 A 43 43 THR N N 43 114.320 113.057 1.263 1
1 478 . 17 1 1 A 44 44 LYS H H 44 7.531 8.147 -0.616 1
1 479 . 17 1 1 A 44 44 LYS HA H 44 4.085 4.088 -0.003 1
1 488 . 17 1 1 A 44 44 LYS CA C 44 58.682 59.194 -0.512 1
1 489 . 17 1 1 A 44 44 LYS CB C 44 32.024 32.432 -0.408 1
1 493 . 17 1 1 A 44 44 LYS N N 44 120.012 119.372 0.640 1
1 494 . 17 1 1 A 45 45 GLY H H 45 7.143 7.735 -0.592 1
1 495 . 17 1 1 A 45 45 GLY HA2 H 45 3.625 4.023 -0.398 1
1 496 . 17 1 1 A 45 45 GLY HA3 H 45 4.387 4.038 0.349 1
1 497 . 17 1 1 A 45 45 GLY CA C 45 44.289 45.268 -0.979 1
1 498 . 17 1 1 A 45 45 GLY N N 45 103.528 106.758 -3.230 1
1 499 . 17 1 1 A 46 46 CYS H H 46 6.988 7.384 -0.396 1
1 500 . 17 1 1 A 46 46 CYS HA H 46 3.955 4.348 -0.393 1
1 503 . 17 1 1 A 46 46 CYS CA C 46 60.654 59.461 1.193 1
1 504 . 17 1 1 A 46 46 CYS CB C 46 29.793 28.659 1.134 1
1 505 . 17 1 1 A 46 46 CYS N N 46 123.656 120.227 3.429 1
1 506 . 17 1 1 A 47 47 LYS H H 47 9.060 8.911 0.149 1
1 507 . 17 1 1 A 47 47 LYS HA H 47 4.489 4.491 -0.002 1
1 516 . 17 1 1 A 47 47 LYS CA C 47 56.127 56.663 -0.536 1
1 517 . 17 1 1 A 47 47 LYS CB C 47 32.393 32.351 0.042 1
1 521 . 17 1 1 A 47 47 LYS N N 47 127.820 128.017 -0.197 1
1 522 . 17 1 1 A 48 48 ARG H H 48 8.537 7.366 1.171 1
1 523 . 17 1 1 A 48 48 ARG HA H 48 4.330 4.235 0.095 1
1 530 . 17 1 1 A 48 48 ARG CA C 48 57.648 58.451 -0.803 1
1 531 . 17 1 1 A 48 48 ARG CB C 48 31.810 30.680 1.130 1
1 534 . 17 1 1 A 48 48 ARG N N 48 122.615 117.605 5.010 1
1 535 . 17 1 1 A 49 49 LYS H H 49 8.522 7.734 0.788 1
1 536 . 17 1 1 A 49 49 LYS HA H 49 4.554 4.287 0.267 1
1 545 . 17 1 1 A 49 49 LYS CA C 49 57.417 57.479 -0.062 1
1 546 . 17 1 1 A 49 49 LYS CB C 49 31.543 31.720 -0.177 1
1 550 . 17 1 1 A 49 49 LYS N N 49 117.583 119.402 -1.819 1
1 551 . 17 1 1 A 50 50 THR H H 50 7.992 8.787 -0.795 1
1 552 . 17 1 1 A 50 50 THR HA H 50 4.127 3.944 0.183 1
1 557 . 17 1 1 A 50 50 THR CA C 50 63.985 65.847 -1.862 1
1 558 . 17 1 1 A 50 50 THR CB C 50 68.157 68.228 -0.071 1
1 560 . 17 1 1 A 50 50 THR N N 50 113.245 113.919 -0.674 1
1 561 . 17 1 1 A 51 51 ASN H H 51 8.888 8.253 0.635 1
1 562 . 17 1 1 A 51 51 ASN HA H 51 4.665 4.409 0.256 1
1 567 . 17 1 1 A 51 51 ASN CA C 51 54.159 56.072 -1.913 1
1 568 . 17 1 1 A 51 51 ASN CB C 51 37.857 38.251 -0.394 1
1 570 . 17 1 1 A 52 52 GLY H H 52 7.972 8.055 -0.083 1
1 571 . 17 1 1 A 52 52 GLY HA2 H 52 3.893 3.935 -0.042 1
1 572 . 17 1 1 A 52 52 GLY HA3 H 52 4.101 3.939 0.162 1
1 573 . 17 1 1 A 52 52 GLY CA C 52 45.368 45.678 -0.310 1
1 574 . 17 1 1 A 52 52 GLY N N 52 106.651 105.553 1.098 1
1 575 . 17 1 1 A 53 53 GLY H H 53 7.765 8.096 -0.331 1
1 576 . 17 1 1 A 53 53 GLY HA2 H 53 3.837 4.066 -0.229 1
1 577 . 17 1 1 A 53 53 GLY HA3 H 53 4.079 4.066 0.013 1
1 578 . 17 1 1 A 53 53 GLY CA C 53 45.227 45.057 0.170 1
1 579 . 17 1 1 A 53 53 GLY N N 53 107.519 107.007 0.512 1
1 580 . 17 1 1 A 54 54 CYS H H 54 8.099 7.656 0.443 1
1 581 . 17 1 1 A 54 54 CYS HA H 54 4.720 4.594 0.126 1
1 584 . 17 1 1 A 54 54 CYS CA C 54 55.572 57.307 -1.735 1
1 585 . 17 1 1 A 54 54 CYS CB C 54 30.216 28.863 1.353 1
1 586 . 17 1 1 A 54 54 CYS N N 54 122.615 119.599 3.016 1
1 587 . 17 1 1 A 55 55 PRO HA H 55 4.237 4.487 -0.250 1
1 594 . 17 1 1 A 55 55 PRO CA C 55 64.757 63.906 0.851 1
1 595 . 17 1 1 A 55 55 PRO CB C 55 32.311 32.005 0.306 1
1 598 . 17 1 1 A 56 56 VAL H H 56 7.645 6.847 0.798 1
1 599 . 17 1 1 A 56 56 VAL HA H 56 3.384 3.772 -0.388 1
1 607 . 17 1 1 A 56 56 VAL CA C 56 66.184 65.503 0.681 1
1 608 . 17 1 1 A 56 56 VAL CB C 56 32.502 31.718 0.784 1
1 611 . 17 1 1 A 56 56 VAL N N 56 121.227 116.672 4.555 1
1 612 . 17 1 1 A 57 57 CYS H H 57 8.565 7.848 0.717 1
1 613 . 17 1 1 A 57 57 CYS HA H 57 4.034 4.083 -0.049 1
1 616 . 17 1 1 A 57 57 CYS CA C 57 65.746 63.815 1.931 1
1 617 . 17 1 1 A 57 57 CYS CB C 57 29.273 27.282 1.991 1
1 618 . 17 1 1 A 57 57 CYS N N 57 122.615 117.878 4.737 1
1 619 . 17 1 1 A 58 58 LYS H H 58 7.956 7.593 0.363 1
1 620 . 17 1 1 A 58 58 LYS HA H 58 3.874 3.886 -0.012 1
1 629 . 17 1 1 A 58 58 LYS CA C 58 59.955 59.041 0.914 1
1 630 . 17 1 1 A 58 58 LYS CB C 58 32.272 31.977 0.295 1
1 634 . 17 1 1 A 58 58 LYS N N 58 116.889 121.185 -4.296 1
1 635 . 17 1 1 A 59 59 GLN H H 59 7.359 7.845 -0.486 1
1 636 . 17 1 1 A 59 59 GLN HA H 59 3.789 4.066 -0.277 1
1 643 . 17 1 1 A 59 59 GLN CA C 59 60.647 58.216 2.431 1
1 644 . 17 1 1 A 59 59 GLN CB C 59 27.196 28.629 -1.433 1
1 646 . 17 1 1 A 59 59 GLN N N 59 116.889 118.815 -1.926 1
1 648 . 17 1 1 A 60 60 LEU H H 60 8.303 7.901 0.402 1
1 649 . 17 1 1 A 60 60 LEU HA H 60 4.093 3.964 0.129 1
1 659 . 17 1 1 A 60 60 LEU CA C 60 58.110 57.826 0.284 1
1 660 . 17 1 1 A 60 60 LEU CB C 60 40.807 41.788 -0.981 1
1 664 . 17 1 1 A 60 60 LEU N N 60 118.103 119.380 -1.277 1
1 665 . 17 1 1 A 61 61 ILE H H 61 8.804 7.662 1.142 1
1 666 . 17 1 1 A 61 61 ILE HA H 61 3.801 3.584 0.217 1
1 676 . 17 1 1 A 61 61 ILE CA C 61 63.416 65.459 -2.043 1
1 677 . 17 1 1 A 61 61 ILE CB C 61 36.886 37.333 -0.447 1
1 681 . 17 1 1 A 61 61 ILE N N 61 118.624 118.600 0.024 1
1 682 . 17 1 1 A 62 62 ALA H H 62 7.796 7.926 -0.130 1
1 683 . 17 1 1 A 62 62 ALA HA H 62 4.058 4.070 -0.012 1
1 687 . 17 1 1 A 62 62 ALA CA C 62 56.030 55.468 0.562 1
1 688 . 17 1 1 A 62 62 ALA CB C 62 18.068 18.533 -0.465 1
1 689 . 17 1 1 A 62 62 ALA N N 62 124.003 122.043 1.960 1
1 690 . 17 1 1 A 63 63 LEU H H 63 8.011 7.871 0.140 1
1 691 . 17 1 1 A 63 63 LEU HA H 63 4.077 4.085 -0.008 1
1 701 . 17 1 1 A 63 63 LEU CA C 63 58.110 57.811 0.299 1
1 702 . 17 1 1 A 63 63 LEU CB C 63 42.116 41.326 0.790 1
1 706 . 17 1 1 A 63 63 LEU N N 63 117.583 119.517 -1.934 1
1 707 . 17 1 1 A 64 64 CYS H H 64 8.818 8.662 0.156 1
1 708 . 17 1 1 A 64 64 CYS HA H 64 4.053 4.227 -0.174 1
1 711 . 17 1 1 A 64 64 CYS CA C 64 64.800 63.036 1.764 1
1 712 . 17 1 1 A 64 64 CYS CB C 64 26.504 26.782 -0.278 1
1 713 . 17 1 1 A 64 64 CYS N N 64 118.277 116.983 1.294 1
1 714 . 17 1 1 A 65 65 CYS H H 65 8.793 8.608 0.185 1
1 715 . 17 1 1 A 65 65 CYS HA H 65 4.258 4.127 0.131 1
1 718 . 17 1 1 A 65 65 CYS CA C 65 63.646 63.811 -0.165 1
1 719 . 17 1 1 A 65 65 CYS CB C 65 26.966 26.662 0.304 1
1 720 . 17 1 1 A 65 65 CYS N N 65 118.971 119.242 -0.271 1
1 721 . 17 1 1 A 66 66 TYR H H 66 8.369 8.411 -0.042 1
1 722 . 17 1 1 A 66 66 TYR HA H 66 4.034 4.220 -0.186 1
1 729 . 17 1 1 A 66 66 TYR CA C 66 60.886 61.379 -0.493 1
1 730 . 17 1 1 A 66 66 TYR CB C 66 37.808 38.866 -1.058 1
1 733 . 17 1 1 A 66 66 TYR N N 66 121.574 122.631 -1.057 1
1 734 . 17 1 1 A 67 67 HIS H H 67 8.633 7.825 0.808 1
1 735 . 17 1 1 A 67 67 HIS HA H 67 4.318 4.270 0.048 1
1 740 . 17 1 1 A 67 67 HIS CA C 67 58.998 59.483 -0.485 1
1 741 . 17 1 1 A 67 67 HIS CB C 67 27.409 30.294 -2.885 1
1 744 . 17 1 1 A 67 67 HIS N N 67 117.409 119.097 -1.688 1
1 745 . 17 1 1 A 68 68 ALA H H 68 8.725 8.959 -0.234 1
1 746 . 17 1 1 A 68 68 ALA HA H 68 4.019 3.911 0.108 1
1 750 . 17 1 1 A 68 68 ALA CA C 68 54.690 55.320 -0.630 1
1 751 . 17 1 1 A 68 68 ALA CB C 68 19.964 18.489 1.475 1
1 752 . 17 1 1 A 68 68 ALA N N 68 122.094 121.052 1.042 1
1 753 . 17 1 1 A 69 69 LYS H H 69 7.362 7.970 -0.608 1
1 754 . 17 1 1 A 69 69 LYS HA H 69 3.736 3.999 -0.263 1
1 763 . 17 1 1 A 69 69 LYS CA C 69 58.137 59.302 -1.165 1
1 764 . 17 1 1 A 69 69 LYS CB C 69 32.224 32.301 -0.077 1
1 768 . 17 1 1 A 69 69 LYS N N 69 114.807 117.973 -3.166 1
1 769 . 17 1 1 A 70 70 HIS H H 70 7.011 7.787 -0.776 1
1 770 . 17 1 1 A 70 70 HIS HA H 70 4.697 4.192 0.505 1
1 774 . 17 1 1 A 70 70 HIS CA C 70 54.835 58.840 -4.005 1
1 775 . 17 1 1 A 70 70 HIS CB C 70 30.477 30.113 0.364 1
1 777 . 17 1 1 A 70 70 HIS N N 70 112.898 119.368 -6.470 1
1 778 . 17 1 1 A 71 71 CYS H H 71 7.012 7.374 -0.362 1
1 779 . 17 1 1 A 71 71 CYS HA H 71 4.032 4.080 -0.048 1
1 782 . 17 1 1 A 71 71 CYS CA C 71 59.948 60.038 -0.090 1
1 783 . 17 1 1 A 71 71 CYS CB C 71 29.752 27.772 1.980 1
1 784 . 17 1 1 A 71 71 CYS N N 71 123.829 118.797 5.032 1
1 785 . 17 1 1 A 72 72 GLN H H 72 9.181 8.819 0.362 1
1 786 . 17 1 1 A 72 72 GLN HA H 72 4.674 4.486 0.188 1
1 793 . 17 1 1 A 72 72 GLN CA C 72 54.224 55.507 -1.283 1
1 794 . 17 1 1 A 72 72 GLN CB C 72 29.049 30.008 -0.959 1
1 796 . 17 1 1 A 72 72 GLN N N 72 128.341 122.611 5.730 1
1 798 . 17 1 1 A 73 73 GLU H H 73 8.396 7.246 1.150 1
1 799 . 17 1 1 A 73 73 GLU HA H 73 4.389 4.503 -0.114 1
1 804 . 17 1 1 A 73 73 GLU CA C 73 55.341 56.426 -1.085 1
1 805 . 17 1 1 A 73 73 GLU CB C 73 30.239 31.279 -1.040 1
1 807 . 17 1 1 A 73 73 GLU N N 73 123.309 122.917 0.392 1
1 808 . 17 1 1 A 74 74 ASN H H 74 8.921 9.056 -0.135 1
1 809 . 17 1 1 A 74 74 ASN HA H 74 4.538 4.964 -0.426 1
1 814 . 17 1 1 A 74 74 ASN CA C 74 54.666 53.339 1.327 1
1 815 . 17 1 1 A 74 74 ASN CB C 74 38.301 39.223 -0.922 1
1 816 . 17 1 1 A 74 74 ASN N N 74 124.870 123.090 1.780 1
1 818 . 17 1 1 A 75 75 LYS H H 75 8.847 7.841 1.006 1
1 819 . 17 1 1 A 75 75 LYS HA H 75 4.442 4.633 -0.191 1
1 828 . 17 1 1 A 75 75 LYS CA C 75 54.327 55.342 -1.015 1
1 829 . 17 1 1 A 75 75 LYS CB C 75 30.837 33.123 -2.286 1
1 833 . 17 1 1 A 75 75 LYS N N 75 121.574 116.752 4.822 1
1 834 . 17 1 1 A 76 76 CYS H H 76 7.191 7.375 -0.184 1
1 835 . 17 1 1 A 76 76 CYS HA H 76 4.389 4.443 -0.054 1
1 838 . 17 1 1 A 76 76 CYS CA C 76 57.270 57.723 -0.453 1
1 839 . 17 1 1 A 76 76 CYS CB C 76 30.613 28.509 2.104 1
1 840 . 17 1 1 A 76 76 CYS N N 76 124.350 121.692 2.658 1
1 841 . 17 1 1 A 77 77 PRO HA H 77 4.673 4.494 0.179 1
1 848 . 17 1 1 A 77 77 PRO CA C 77 62.878 64.266 -1.388 1
1 849 . 17 1 1 A 77 77 PRO CB C 77 31.950 32.093 -0.143 1
1 852 . 17 1 1 A 78 78 VAL H H 78 8.974 7.790 1.184 1
1 853 . 17 1 1 A 78 78 VAL HA H 78 4.187 4.223 -0.036 1
1 861 . 17 1 1 A 78 78 VAL CA C 78 61.637 60.972 0.665 1
1 862 . 17 1 1 A 78 78 VAL CB C 78 31.654 32.125 -0.471 1
1 865 . 17 1 1 A 78 78 VAL N N 78 128.688 119.577 9.111 1
1 866 . 17 1 1 A 79 79 PRO HA H 79 3.938 4.277 -0.339 1
1 873 . 17 1 1 A 79 79 PRO CA C 79 63.962 65.177 -1.215 1
1 874 . 17 1 1 A 79 79 PRO CB C 79 30.887 31.916 -1.029 1
1 877 . 17 1 1 A 80 80 PHE HA H 80 4.350 4.260 0.090 1
1 884 . 17 1 1 A 80 80 PHE CA C 80 59.032 60.321 -1.289 1
1 885 . 17 1 1 A 80 80 PHE CB C 80 37.686 38.228 -0.542 1
1 888 . 17 1 1 A 81 81 CYS H H 81 7.686 8.367 -0.681 1
1 889 . 17 1 1 A 81 81 CYS HA H 81 4.001 4.153 -0.152 1
1 892 . 17 1 1 A 81 81 CYS CA C 81 64.779 62.576 2.203 1
1 893 . 17 1 1 A 81 81 CYS CB C 81 29.524 26.399 3.125 1
1 894 . 17 1 1 A 81 81 CYS N N 81 124.176 118.808 5.368 1
1 895 . 17 1 1 A 82 82 LEU H H 82 8.267 8.447 -0.180 1
1 896 . 17 1 1 A 82 82 LEU HA H 82 4.010 4.019 -0.009 1
1 906 . 17 1 1 A 82 82 LEU CA C 82 58.340 58.214 0.126 1
1 907 . 17 1 1 A 82 82 LEU CB C 82 40.862 41.814 -0.952 1
1 911 . 17 1 1 A 82 82 LEU N N 82 114.980 121.102 -6.122 1
1 912 . 17 1 1 A 83 83 ASN H H 83 7.917 8.117 -0.200 1
1 913 . 17 1 1 A 83 83 ASN HA H 83 4.490 4.563 -0.073 1
1 918 . 17 1 1 A 83 83 ASN CA C 83 56.061 56.351 -0.290 1
1 919 . 17 1 1 A 83 83 ASN CB C 83 38.494 39.119 -0.625 1
1 920 . 17 1 1 A 83 83 ASN N N 83 116.542 116.844 -0.302 1
1 922 . 17 1 1 A 84 84 ILE H H 84 8.788 8.335 0.453 1
1 923 . 17 1 1 A 84 84 ILE HA H 84 3.734 3.706 0.028 1
1 933 . 17 1 1 A 84 84 ILE CA C 84 65.142 65.759 -0.617 1
1 934 . 17 1 1 A 84 84 ILE CB C 84 38.039 37.901 0.138 1
1 938 . 17 1 1 A 84 84 ILE N N 84 121.747 120.603 1.144 1
1 939 . 17 1 1 A 85 85 LYS H H 85 8.954 8.636 0.318 1
1 940 . 17 1 1 A 85 85 LYS HA H 85 3.839 4.106 -0.267 1
1 949 . 17 1 1 A 85 85 LYS CA C 85 60.936 58.762 2.174 1
1 950 . 17 1 1 A 85 85 LYS CB C 85 32.041 31.983 0.058 1
1 954 . 17 1 1 A 85 85 LYS N N 85 119.665 120.397 -0.732 1
1 955 . 17 1 1 A 86 86 HIS H H 86 8.043 7.480 0.563 1
1 956 . 17 1 1 A 86 86 HIS HA H 86 4.411 4.286 0.125 1
1 960 . 17 1 1 A 86 86 HIS CA C 86 58.746 59.721 -0.975 1
1 961 . 17 1 1 A 86 86 HIS CB C 86 30.067 29.645 0.422 1
1 963 . 17 1 1 A 86 86 HIS N N 86 116.542 119.468 -2.926 1
1 964 . 17 1 1 A 87 87 LYS H H 87 7.822 7.978 -0.156 1
1 965 . 17 1 1 A 87 87 LYS HA H 87 4.158 3.979 0.179 1
1 968 . 17 1 1 A 87 87 LYS CA C 87 57.879 59.571 -1.692 1
1 969 . 17 1 1 A 87 87 LYS N N 87 119.318 120.382 -1.064 1
1 970 . 17 1 1 A 88 88 LEU H H 88 8.405 8.727 -0.322 1
1 971 . 17 1 1 A 88 88 LEU HA H 88 4.194 4.085 0.109 1
1 981 . 17 1 1 A 88 88 LEU CA C 88 56.289 57.455 -1.166 1
1 982 . 17 1 1 A 88 88 LEU CB C 88 41.692 41.449 0.243 1
1 986 . 17 1 1 A 88 88 LEU N N 88 119.144 119.224 -0.080 1
1 987 . 17 1 1 A 89 89 ARG H H 89 7.826 7.586 0.240 1
1 988 . 17 1 1 A 89 89 ARG HA H 89 4.271 4.242 0.029 1
1 995 . 17 1 1 A 89 89 ARG CA C 89 56.666 56.690 -0.024 1
1 996 . 17 1 1 A 89 89 ARG CB C 89 29.965 31.064 -1.099 1
1 999 . 17 1 1 A 89 89 ARG N N 89 118.450 117.505 0.945 1
1 1000 . 17 1 1 A 90 90 GLN H H 90 7.935 7.525 0.410 1
1 1001 . 17 1 1 A 90 90 GLN HA H 90 4.270 4.486 -0.216 1
1 1008 . 17 1 1 A 90 90 GLN CA C 90 55.840 56.084 -0.244 1
1 1009 . 17 1 1 A 90 90 GLN CB C 90 28.989 29.619 -0.630 1
1 1011 . 17 1 1 A 90 90 GLN N N 90 119.318 116.493 2.825 1
1 1013 . 17 1 1 A 91 91 GLN H H 91 8.141 8.592 -0.451 1
1 1014 . 17 1 1 A 91 91 GLN HA H 91 4.352 4.102 0.250 1
1 1021 . 17 1 1 A 91 91 GLN CA C 91 55.581 58.816 -3.235 1
1 1022 . 17 1 1 A 91 91 GLN CB C 91 29.284 28.144 1.140 1
1 1024 . 17 1 1 A 91 91 GLN N N 91 120.706 118.853 1.853 1
1 1043 . 17 2 2 B 2 2 SER CB C 707 63.646 63.176 0.470 1
1 1044 . 17 2 2 B 3 3 HIS HA H 708 4.663 4.844 -0.181 1
1 1047 . 17 2 2 B 3 3 HIS CA C 708 56.033 55.144 0.889 1
1 1048 . 17 2 2 B 3 3 HIS CB C 708 30.146 30.277 -0.131 1
1 1053 . 17 2 2 B 5 5 SER H H 710 8.437 7.414 1.023 1
1 1054 . 17 2 2 B 5 5 SER HA H 710 4.429 4.398 0.031 1
1 1057 . 17 2 2 B 5 5 SER CA C 710 58.340 58.403 -0.063 1
1 1058 . 17 2 2 B 5 5 SER CB C 710 63.416 63.897 -0.481 1
1 1059 . 17 2 2 B 5 5 SER N N 710 117.160 114.315 2.845 1
1 1060 . 17 2 2 B 6 6 GLU H H 711 8.458 8.954 -0.496 1
1 1061 . 17 2 2 B 6 6 GLU HA H 711 4.311 3.913 0.398 1
1 1066 . 17 2 2 B 6 6 GLU CA C 711 56.033 57.970 -1.937 1
1 1067 . 17 2 2 B 6 6 GLU CB C 711 30.223 27.886 2.337 1
1 1069 . 17 2 2 B 6 6 GLU N N 711 123.053 117.551 5.502 1
1 1070 . 17 2 2 B 7 7 VAL H H 712 8.150 7.819 0.331 1
1 1071 . 17 2 2 B 7 7 VAL HA H 712 4.050 4.313 -0.263 1
1 1079 . 17 2 2 B 7 7 VAL CA C 712 61.801 63.252 -1.451 1
1 1080 . 17 2 2 B 7 7 VAL CB C 712 32.041 34.449 -2.408 1
1 1083 . 17 2 2 B 7 7 VAL N N 712 121.173 117.973 3.200 1
1 1084 . 17 2 2 B 8 8 HIS H H 713 8.495 7.948 0.547 1
1 1085 . 17 2 2 B 8 8 HIS HA H 713 4.914 5.044 -0.130 1
1 1089 . 17 2 2 B 8 8 HIS CA C 713 53.945 53.310 0.635 1
1 1090 . 17 2 2 B 8 8 HIS CB C 713 30.218 29.746 0.472 1
1 1092 . 17 2 2 B 8 8 HIS N N 713 125.310 116.720 8.590 1
1 1093 . 17 2 2 B 9 9 PRO HA H 714 4.430 4.526 -0.096 1
1 1100 . 17 2 2 B 9 9 PRO CA C 714 63.409 62.917 0.492 1
1 1101 . 17 2 2 B 9 9 PRO CB C 714 32.018 33.164 -1.146 1
1 1104 . 17 2 2 B 10 10 SER H H 715 8.889 8.727 0.162 1
1 1105 . 17 2 2 B 10 10 SER HA H 715 4.437 5.073 -0.636 1
1 1108 . 17 2 2 B 10 10 SER CA C 715 58.571 56.905 1.666 1
1 1109 . 17 2 2 B 10 10 SER CB C 715 63.213 64.802 -1.589 1
1 1110 . 17 2 2 B 10 10 SER N N 715 116.533 116.299 0.234 1
1 1111 . 17 2 2 B 11 11 ARG H H 716 8.442 8.725 -0.283 1
1 1112 . 17 2 2 B 11 11 ARG HA H 716 4.388 4.304 0.084 1
1 1119 . 17 2 2 B 11 11 ARG CA C 716 55.882 57.934 -2.052 1
1 1120 . 17 2 2 B 11 11 ARG CB C 716 30.395 30.304 0.091 1
1 1123 . 17 2 2 B 11 11 ARG N N 716 122.803 124.543 -1.740 1
1 1124 . 17 2 2 B 12 12 LEU H H 717 8.133 7.017 1.116 1
1 1125 . 17 2 2 B 12 12 LEU HA H 717 4.356 4.369 -0.013 1
1 1135 . 17 2 2 B 12 12 LEU CA C 717 54.880 54.279 0.601 1
1 1136 . 17 2 2 B 12 12 LEU CB C 717 42.081 40.852 1.229 1
1 1140 . 17 2 2 B 12 12 LEU N N 717 122.552 122.704 -0.152 1
1 1141 . 17 2 2 B 13 13 GLN H H 718 8.440 7.879 0.561 1
1 1142 . 17 2 2 B 13 13 GLN HA H 718 4.454 4.827 -0.373 1
1 1149 . 17 2 2 B 13 13 GLN CA C 718 55.341 54.213 1.128 1
1 1150 . 17 2 2 B 13 13 GLN CB C 718 29.285 32.004 -2.719 1
1 1152 . 17 2 2 B 13 13 GLN N N 718 121.298 124.683 -3.385 1
1 1154 . 17 2 2 B 14 14 THR H H 719 8.257 8.657 -0.400 1
1 1155 . 17 2 2 B 14 14 THR HA H 719 4.438 4.025 0.413 1
1 1160 . 17 2 2 B 14 14 THR CA C 719 61.339 64.835 -3.496 1
1 1161 . 17 2 2 B 14 14 THR CB C 719 69.456 68.492 0.964 1
1 1163 . 17 2 2 B 14 14 THR N N 719 115.154 117.082 -1.928 1
1 1164 . 17 2 2 B 15 15 THR H H 720 8.240 8.170 0.070 1
1 1165 . 17 2 2 B 15 15 THR HA H 720 4.275 4.222 0.053 1
1 1170 . 17 2 2 B 15 15 THR CA C 720 61.967 64.910 -2.943 1
1 1171 . 17 2 2 B 15 15 THR CB C 720 69.183 68.701 0.482 1
1 1173 . 17 2 2 B 15 15 THR N N 720 115.029 114.830 0.199 1
1 1174 . 17 2 2 B 16 16 ASP H H 721 8.293 8.805 -0.512 1
1 1175 . 17 2 2 B 16 16 ASP HA H 721 4.494 4.409 0.085 1
1 1178 . 17 2 2 B 16 16 ASP CA C 721 54.880 55.580 -0.700 1
1 1179 . 17 2 2 B 16 16 ASP CB C 721 40.891 39.183 1.708 1
1 1180 . 17 2 2 B 16 16 ASP N N 721 122.427 121.956 0.471 1
1 1181 . 17 2 2 B 17 17 ASN H H 722 8.272 7.841 0.431 1
1 1182 . 17 2 2 B 17 17 ASN HA H 722 4.577 4.911 -0.334 1
1 1187 . 17 2 2 B 17 17 ASN CA C 722 53.330 53.321 0.009 1
1 1188 . 17 2 2 B 17 17 ASN CB C 722 38.332 39.790 -1.458 1
1 1189 . 17 2 2 B 17 17 ASN N N 722 118.916 117.339 1.577 1
1 1191 . 17 2 2 B 18 18 LEU H H 723 8.204 7.631 0.573 1
1 1192 . 17 2 2 B 18 18 LEU HA H 723 4.191 4.121 0.070 1
1 1202 . 17 2 2 B 18 18 LEU CA C 723 54.200 57.697 -3.497 1
1 1203 . 17 2 2 B 18 18 LEU CB C 723 43.545 41.496 2.049 1
1 1207 . 17 2 2 B 18 18 LEU N N 723 121.173 119.073 2.100 1
1 1208 . 17 2 2 B 19 19 LEU H H 724 7.416 7.537 -0.121 1
1 1209 . 17 2 2 B 19 19 LEU HA H 724 4.273 4.323 -0.050 1
1 1219 . 17 2 2 B 19 19 LEU CA C 724 52.415 53.897 -1.482 1
1 1220 . 17 2 2 B 19 19 LEU CB C 724 40.471 42.060 -1.589 1
1 1224 . 17 2 2 B 19 19 LEU N N 724 117.286 121.264 -3.978 1
1 1225 . 17 2 2 B 20 20 PRO HA H 725 4.271 4.482 -0.211 1
1 1232 . 17 2 2 B 20 20 PRO CA C 725 63.877 64.207 -0.330 1
1 1233 . 17 2 2 B 20 20 PRO CB C 725 32.716 31.716 1.000 1
1 1236 . 17 2 2 B 21 21 MET H H 726 8.932 7.567 1.365 1
1 1237 . 17 2 2 B 21 21 MET HA H 726 4.841 4.853 -0.012 1
1 1245 . 17 2 2 B 21 21 MET CA C 726 54.199 54.349 -0.150 1
1 1246 . 17 2 2 B 21 21 MET CB C 726 36.939 35.769 1.170 1
1 1249 . 17 2 2 B 21 21 MET N N 726 116.784 119.275 -2.491 1
1 1250 . 17 2 2 B 22 22 SER H H 727 8.956 9.131 -0.175 1
1 1251 . 17 2 2 B 22 22 SER HA H 727 4.771 4.726 0.045 1
1 1254 . 17 2 2 B 22 22 SER CA C 727 56.255 57.022 -0.767 1
1 1255 . 17 2 2 B 22 22 SER CB C 727 62.528 63.040 -0.512 1
1 1256 . 17 2 2 B 22 22 SER N N 727 119.167 120.902 -1.735 1
1 1257 . 17 2 2 B 23 23 PRO HA H 728 4.312 4.390 -0.078 1
1 1264 . 17 2 2 B 23 23 PRO CA C 728 65.953 65.726 0.227 1
1 1265 . 17 2 2 B 23 23 PRO CB C 728 31.810 31.732 0.078 1
1 1268 . 17 2 2 B 24 24 GLU H H 729 8.877 8.623 0.254 1
1 1269 . 17 2 2 B 24 24 GLU HA H 729 4.163 4.052 0.111 1
1 1274 . 17 2 2 B 24 24 GLU CA C 729 59.748 59.585 0.163 1
1 1275 . 17 2 2 B 24 24 GLU CB C 729 28.819 28.944 -0.125 1
1 1277 . 17 2 2 B 24 24 GLU N N 729 116.283 117.270 -0.987 1
1 1278 . 17 2 2 B 25 25 GLU H H 730 7.789 7.825 -0.036 1
1 1279 . 17 2 2 B 25 25 GLU HA H 730 3.787 3.988 -0.201 1
1 1284 . 17 2 2 B 25 25 GLU CA C 730 59.266 58.938 0.328 1
1 1285 . 17 2 2 B 25 25 GLU CB C 730 29.501 29.734 -0.233 1
1 1287 . 17 2 2 B 25 25 GLU N N 730 121.298 119.929 1.369 1
1 1288 . 17 2 2 B 26 26 PHE H H 731 8.730 8.611 0.119 1
1 1289 . 17 2 2 B 26 26 PHE HA H 731 4.364 4.214 0.150 1
1 1296 . 17 2 2 B 26 26 PHE CA C 731 59.724 61.323 -1.599 1
1 1297 . 17 2 2 B 26 26 PHE CB C 731 38.230 39.313 -1.083 1
1 1300 . 17 2 2 B 26 26 PHE N N 731 119.543 121.298 -1.755 1
1 1301 . 17 2 2 B 27 27 ASP H H 732 8.587 8.600 -0.013 1
1 1302 . 17 2 2 B 27 27 ASP HA H 732 4.097 4.210 -0.113 1
1 1305 . 17 2 2 B 27 27 ASP CA C 732 57.256 57.862 -0.606 1
1 1306 . 17 2 2 B 27 27 ASP CB C 732 40.421 41.627 -1.206 1
1 1307 . 17 2 2 B 27 27 ASP N N 732 121.549 118.633 2.916 1
1 1308 . 17 2 2 B 28 28 GLU H H 733 7.383 7.996 -0.613 1
1 1309 . 17 2 2 B 28 28 GLU HA H 733 4.155 4.051 0.104 1
1 1314 . 17 2 2 B 28 28 GLU CA C 733 58.749 59.044 -0.295 1
1 1315 . 17 2 2 B 28 28 GLU CB C 733 28.933 29.382 -0.449 1
1 1317 . 17 2 2 B 28 28 GLU N N 733 119.793 119.342 0.451 1
1 1318 . 17 2 2 B 29 29 VAL H H 734 8.246 7.995 0.251 1
1 1319 . 17 2 2 B 29 29 VAL HA H 734 3.595 3.456 0.139 1
1 1327 . 17 2 2 B 29 29 VAL CA C 734 66.219 66.063 0.156 1
1 1328 . 17 2 2 B 29 29 VAL CB C 734 31.362 31.564 -0.202 1
1 1331 . 17 2 2 B 29 29 VAL N N 734 118.540 120.606 -2.066 1
1 1332 . 17 2 2 B 30 30 SER H H 735 8.384 8.306 0.078 1
1 1333 . 17 2 2 B 30 30 SER HA H 735 3.912 3.833 0.079 1
1 1336 . 17 2 2 B 30 30 SER CA C 735 61.703 62.503 -0.800 1
1 1337 . 17 2 2 B 30 30 SER CB C 735 62.059 62.530 -0.471 1
1 1338 . 17 2 2 B 30 30 SER N N 735 115.154 114.273 0.881 1
1 1339 . 17 2 2 B 31 31 ARG H H 736 7.683 8.047 -0.364 1
1 1340 . 17 2 2 B 31 31 ARG HA H 736 4.027 4.018 0.009 1
1 1348 . 17 2 2 B 31 31 ARG CA C 736 58.571 58.950 -0.379 1
1 1349 . 17 2 2 B 31 31 ARG CB C 736 30.068 29.753 0.315 1
1 1352 . 17 2 2 B 31 31 ARG N N 736 121.549 121.613 -0.064 1
1 1354 . 17 2 2 B 32 32 ILE H H 737 7.703 7.162 0.541 1
1 1355 . 17 2 2 B 32 32 ILE HA H 737 3.859 3.906 -0.047 1
1 1365 . 17 2 2 B 32 32 ILE CA C 737 63.445 63.926 -0.481 1
1 1366 . 17 2 2 B 32 32 ILE CB C 737 38.332 38.000 0.332 1
1 1370 . 17 2 2 B 32 32 ILE N N 737 119.167 120.252 -1.085 1
1 1371 . 17 2 2 B 33 33 VAL H H 738 8.293 7.937 0.356 1
1 1372 . 17 2 2 B 33 33 VAL HA H 738 3.901 3.888 0.013 1
1 1380 . 17 2 2 B 33 33 VAL CA C 738 63.805 64.910 -1.105 1
1 1381 . 17 2 2 B 33 33 VAL CB C 738 32.408 31.754 0.654 1
1 1384 . 17 2 2 B 33 33 VAL N N 738 116.157 119.987 -3.830 1
1 1385 . 17 2 2 B 34 34 GLY H H 739 7.868 7.786 0.082 1
1 1386 . 17 2 2 B 34 34 GLY HA2 H 739 3.813 3.809 0.004 1
1 1387 . 17 2 2 B 34 34 GLY HA3 H 739 4.120 3.840 0.280 1
1 1388 . 17 2 2 B 34 34 GLY CA C 739 44.831 46.663 -1.832 1
1 1389 . 17 2 2 B 34 34 GLY N N 739 108.258 110.240 -1.982 1
1 1390 . 17 2 2 B 35 35 SER H H 740 8.366 8.146 0.220 1
1 1391 . 17 2 2 B 35 35 SER HA H 740 4.389 3.891 0.498 1
1 1394 . 17 2 2 B 35 35 SER CA C 740 58.261 59.090 -0.829 1
1 1395 . 17 2 2 B 35 35 SER CB C 740 62.663 61.680 0.983 1
1 1396 . 17 2 2 B 35 35 SER N N 740 116.408 108.539 7.869 1
1 1397 . 17 2 2 B 36 36 VAL H H 741 7.897 7.643 0.254 1
1 1398 . 17 2 2 B 36 36 VAL HA H 741 4.054 3.893 0.161 1
1 1406 . 17 2 2 B 36 36 VAL CA C 741 61.737 65.678 -3.941 1
1 1407 . 17 2 2 B 36 36 VAL CB C 741 33.084 31.653 1.431 1
1 1410 . 17 2 2 B 36 36 VAL N N 741 122.928 120.281 2.647 1
1 1411 . 17 2 2 B 37 37 GLU H H 742 8.468 8.126 0.342 1
1 1412 . 17 2 2 B 37 37 GLU HA H 742 4.306 4.658 -0.352 1
1 1417 . 17 2 2 B 37 37 GLU CA C 742 55.803 55.508 0.295 1
1 1418 . 17 2 2 B 37 37 GLU CB C 742 29.029 30.794 -1.765 1
1 1420 . 17 2 2 B 37 37 GLU N N 742 124.057 121.843 2.214 1
1 1421 . 17 2 2 B 38 38 PHE H H 743 8.222 7.766 0.456 1
1 1422 . 17 2 2 B 38 38 PHE HA H 743 4.360 4.129 0.231 1
1 1429 . 17 2 2 B 38 38 PHE CA C 743 59.263 61.778 -2.515 1
1 1430 . 17 2 2 B 38 38 PHE CB C 743 39.524 39.451 0.073 1
1 1433 . 17 2 2 B 38 38 PHE N N 743 122.427 121.551 0.876 1
1 1434 . 17 2 2 B 39 39 ASP H H 744 8.602 8.825 -0.223 1
1 1435 . 17 2 2 B 39 39 ASP HA H 744 4.380 4.393 -0.013 1
1 1438 . 17 2 2 B 39 39 ASP CA C 744 56.495 55.075 1.420 1
1 1439 . 17 2 2 B 39 39 ASP CB C 744 40.119 39.369 0.750 1
1 1440 . 17 2 2 B 39 39 ASP N N 744 120.044 117.318 2.726 1
1 1441 . 17 2 2 B 40 40 SER H H 745 8.143 7.679 0.464 1
1 1442 . 17 2 2 B 40 40 SER HA H 745 4.328 4.732 -0.404 1
1 1445 . 17 2 2 B 40 40 SER CA C 745 59.724 58.126 1.598 1
1 1446 . 17 2 2 B 40 40 SER CB C 745 62.723 64.010 -1.287 1
1 1447 . 17 2 2 B 40 40 SER N N 745 114.527 114.586 -0.059 1
1 1448 . 17 2 2 B 41 41 MET H H 746 7.930 7.499 0.431 1
1 1449 . 17 2 2 B 41 41 MET HA H 746 4.374 4.226 0.148 1
1 1457 . 17 2 2 B 41 41 MET CA C 746 56.244 57.642 -1.398 1
1 1458 . 17 2 2 B 41 41 MET CB C 746 32.502 31.232 1.270 1
1 1461 . 17 2 2 B 41 41 MET N N 746 120.044 121.086 -1.042 1
1 1462 . 17 2 2 B 42 42 MET H H 747 7.784 7.952 -0.168 1
1 1463 . 17 2 2 B 42 42 MET HA H 747 4.232 4.393 -0.161 1
1 1471 . 17 2 2 B 42 42 MET CA C 747 55.830 56.987 -1.157 1
1 1472 . 17 2 2 B 42 42 MET CB C 747 32.502 32.271 0.231 1
1 1475 . 17 2 2 B 42 42 MET N N 747 117.035 116.105 0.930 1
1 1476 . 17 2 2 B 43 43 ASN H H 748 7.960 7.662 0.298 1
1 1477 . 17 2 2 B 43 43 ASN HA H 748 4.831 5.097 -0.266 1
1 1482 . 17 2 2 B 43 43 ASN CA C 748 53.146 51.590 1.556 1
1 1483 . 17 2 2 B 43 43 ASN CB C 748 38.795 40.642 -1.847 1
1 1484 . 17 2 2 B 43 43 ASN N N 748 117.537 118.370 -0.833 1
1 1486 . 17 2 2 B 44 44 THR H H 749 8.039 8.952 -0.913 1
1 1487 . 17 2 2 B 44 44 THR HA H 749 4.432 4.004 0.428 1
1 1492 . 17 2 2 B 44 44 THR CA C 749 61.570 65.977 -4.407 1
1 1493 . 17 2 2 B 44 44 THR CB C 749 69.644 68.382 1.262 1
1 1495 . 17 2 2 B 44 44 THR N N 749 114.026 118.883 -4.857 1
1 6 . 18 1 1 A 2 2 PRO HA H 2 4.396 4.294 0.102 1
1 13 . 18 1 1 A 2 2 PRO CA C 2 65.107 66.046 -0.939 1
1 14 . 18 1 1 A 2 2 PRO CB C 2 31.810 31.369 0.441 1
1 17 . 18 1 1 A 3 3 GLN H H 3 8.509 8.366 0.143 1
1 18 . 18 1 1 A 3 3 GLN HA H 3 3.962 4.049 -0.087 1
1 25 . 18 1 1 A 3 3 GLN CA C 3 59.223 58.667 0.556 1
1 26 . 18 1 1 A 3 3 GLN CB C 3 28.119 27.747 0.372 1
1 28 . 18 1 1 A 3 3 GLN N N 3 117.064 117.822 -0.758 1
1 30 . 18 1 1 A 4 4 GLU H H 4 7.950 8.334 -0.384 1
1 31 . 18 1 1 A 4 4 GLU HA H 4 4.105 4.063 0.042 1
1 36 . 18 1 1 A 4 4 GLU CA C 4 58.778 59.295 -0.517 1
1 37 . 18 1 1 A 4 4 GLU CB C 4 29.734 29.257 0.477 1
1 39 . 18 1 1 A 4 4 GLU N N 4 121.574 120.773 0.801 1
1 40 . 18 1 1 A 5 5 SER H H 5 8.511 8.008 0.503 1
1 41 . 18 1 1 A 5 5 SER HA H 5 4.238 4.204 0.034 1
1 44 . 18 1 1 A 5 5 SER CA C 5 61.377 61.133 0.244 1
1 45 . 18 1 1 A 5 5 SER CB C 5 62.351 62.568 -0.217 1
1 46 . 18 1 1 A 5 5 SER N N 5 115.674 114.159 1.515 1
1 47 . 18 1 1 A 6 6 ARG H H 6 8.276 8.003 0.273 1
1 48 . 18 1 1 A 6 6 ARG HA H 6 4.324 4.054 0.270 1
1 55 . 18 1 1 A 6 6 ARG CA C 6 58.988 59.383 -0.395 1
1 56 . 18 1 1 A 6 6 ARG CB C 6 30.426 30.058 0.368 1
1 59 . 18 1 1 A 6 6 ARG N N 6 122.441 121.682 0.759 1
1 60 . 18 1 1 A 7 7 ARG H H 7 8.015 7.491 0.524 1
1 61 . 18 1 1 A 7 7 ARG HA H 7 3.955 4.057 -0.102 1
1 68 . 18 1 1 A 7 7 ARG CA C 7 59.724 58.836 0.888 1
1 69 . 18 1 1 A 7 7 ARG CB C 7 29.965 30.002 -0.037 1
1 72 . 18 1 1 A 7 7 ARG N N 7 119.491 119.674 -0.183 1
1 73 . 18 1 1 A 8 8 LEU H H 8 8.158 8.472 -0.314 1
1 74 . 18 1 1 A 8 8 LEU HA H 8 4.161 4.053 0.108 1
1 84 . 18 1 1 A 8 8 LEU CA C 8 57.686 57.861 -0.175 1
1 85 . 18 1 1 A 8 8 LEU CB C 8 41.312 41.507 -0.195 1
1 89 . 18 1 1 A 8 8 LEU N N 8 120.359 120.071 0.288 1
1 90 . 18 1 1 A 9 9 SER H H 9 8.090 7.873 0.217 1
1 91 . 18 1 1 A 9 9 SER HA H 9 4.292 4.081 0.211 1
1 94 . 18 1 1 A 9 9 SER CA C 9 61.570 62.597 -1.027 1
1 95 . 18 1 1 A 9 9 SER CB C 9 62.493 62.891 -0.398 1
1 96 . 18 1 1 A 9 9 SER N N 9 116.178 113.997 2.181 1
1 97 . 18 1 1 A 10 10 ILE H H 10 8.396 7.961 0.435 1
1 98 . 18 1 1 A 10 10 ILE HA H 10 3.505 3.495 0.010 1
1 108 . 18 1 1 A 10 10 ILE CA C 10 65.608 65.033 0.575 1
1 109 . 18 1 1 A 10 10 ILE CB C 10 37.706 37.288 0.418 1
1 113 . 18 1 1 A 10 10 ILE N N 10 122.840 121.348 1.492 1
1 114 . 18 1 1 A 11 11 GLN H H 11 8.142 7.995 0.147 1
1 115 . 18 1 1 A 11 11 GLN HA H 11 4.032 4.025 0.007 1
1 122 . 18 1 1 A 11 11 GLN CA C 11 59.060 59.272 -0.212 1
1 123 . 18 1 1 A 11 11 GLN CB C 11 27.888 28.359 -0.471 1
1 125 . 18 1 1 A 11 11 GLN N N 11 119.144 118.567 0.577 1
1 127 . 18 1 1 A 12 12 ARG H H 12 8.330 7.493 0.837 1
1 128 . 18 1 1 A 12 12 ARG HA H 12 4.179 4.057 0.122 1
1 135 . 18 1 1 A 12 12 ARG CA C 12 59.494 59.273 0.221 1
1 136 . 18 1 1 A 12 12 ARG CB C 12 29.734 29.946 -0.212 1
1 138 . 18 1 1 A 12 12 ARG N N 12 120.186 119.056 1.130 1
1 139 . 18 1 1 A 13 13 CYS H H 13 8.242 7.951 0.291 1
1 140 . 18 1 1 A 13 13 CYS HA H 13 4.231 4.114 0.117 1
1 143 . 18 1 1 A 13 13 CYS CA C 13 63.289 63.915 -0.626 1
1 144 . 18 1 1 A 13 13 CYS CB C 13 26.505 27.167 -0.662 1
1 145 . 18 1 1 A 13 13 CYS N N 13 121.574 120.301 1.273 1
1 146 . 18 1 1 A 14 14 ILE H H 14 8.493 8.473 0.020 1
1 147 . 18 1 1 A 14 14 ILE HA H 14 3.787 3.577 0.210 1
1 157 . 18 1 1 A 14 14 ILE CA C 14 64.269 65.364 -1.095 1
1 158 . 18 1 1 A 14 14 ILE CB C 14 36.597 37.826 -1.229 1
1 162 . 18 1 1 A 14 14 ILE N N 14 120.012 119.927 0.085 1
1 163 . 18 1 1 A 15 15 GLN H H 15 8.468 8.281 0.187 1
1 164 . 18 1 1 A 15 15 GLN HA H 15 4.107 4.021 0.086 1
1 171 . 18 1 1 A 15 15 GLN CA C 15 58.969 59.062 -0.093 1
1 172 . 18 1 1 A 15 15 GLN CB C 15 27.843 28.469 -0.626 1
1 174 . 18 1 1 A 15 15 GLN N N 15 119.665 118.848 0.817 1
1 176 . 18 1 1 A 16 16 SER H H 16 8.409 8.085 0.324 1
1 177 . 18 1 1 A 16 16 SER HA H 16 4.424 4.085 0.339 1
1 180 . 18 1 1 A 16 16 SER CA C 16 61.726 62.517 -0.791 1
1 181 . 18 1 1 A 16 16 SER CB C 16 62.564 63.013 -0.449 1
1 182 . 18 1 1 A 16 16 SER N N 16 117.062 116.173 0.889 1
1 183 . 18 1 1 A 17 17 LEU H H 17 8.235 8.095 0.140 1
1 184 . 18 1 1 A 17 17 LEU HA H 17 4.103 4.073 0.030 1
1 194 . 18 1 1 A 17 17 LEU CA C 17 58.340 57.864 0.476 1
1 195 . 18 1 1 A 17 17 LEU CB C 17 41.961 41.654 0.307 1
1 199 . 18 1 1 A 17 17 LEU N N 17 125.564 122.866 2.698 1
1 200 . 18 1 1 A 18 18 VAL H H 18 8.603 8.278 0.325 1
1 201 . 18 1 1 A 18 18 VAL HA H 18 3.261 3.561 -0.300 1
1 209 . 18 1 1 A 18 18 VAL CA C 18 67.097 66.502 0.595 1
1 210 . 18 1 1 A 18 18 VAL CB C 18 31.589 31.529 0.060 1
1 213 . 18 1 1 A 18 18 VAL N N 18 119.665 118.855 0.810 1
1 214 . 18 1 1 A 19 19 HIS H H 19 8.083 8.364 -0.281 1
1 215 . 18 1 1 A 19 19 HIS HA H 19 4.231 4.153 0.078 1
1 219 . 18 1 1 A 19 19 HIS CA C 19 59.641 60.111 -0.470 1
1 220 . 18 1 1 A 19 19 HIS CB C 19 26.966 29.695 -2.729 1
1 222 . 18 1 1 A 19 19 HIS N N 19 116.094 119.355 -3.261 1
1 223 . 18 1 1 A 20 20 ALA H H 20 8.796 8.395 0.401 1
1 224 . 18 1 1 A 20 20 ALA HA H 20 4.308 4.006 0.302 1
1 228 . 18 1 1 A 20 20 ALA CA C 20 55.341 55.236 0.105 1
1 229 . 18 1 1 A 20 20 ALA CB C 20 20.026 18.244 1.782 1
1 230 . 18 1 1 A 20 20 ALA N N 20 121.747 120.400 1.347 1
1 231 . 18 1 1 A 21 21 CYS H H 21 7.909 8.048 -0.139 1
1 232 . 18 1 1 A 21 21 CYS HA H 21 4.294 4.209 0.085 1
1 235 . 18 1 1 A 21 21 CYS CA C 21 61.665 61.846 -0.181 1
1 236 . 18 1 1 A 21 21 CYS CB C 21 26.764 27.032 -0.268 1
1 237 . 18 1 1 A 21 21 CYS N N 21 111.875 115.902 -4.027 1
1 238 . 18 1 1 A 22 22 GLN H H 22 7.357 7.618 -0.261 1
1 239 . 18 1 1 A 22 22 GLN HA H 22 4.531 4.334 0.197 1
1 246 . 18 1 1 A 22 22 GLN CA C 22 54.445 56.000 -1.555 1
1 247 . 18 1 1 A 22 22 GLN CB C 22 30.608 30.508 0.100 1
1 249 . 18 1 1 A 22 22 GLN N N 22 116.021 117.128 -1.107 1
1 251 . 18 1 1 A 23 23 CYS H H 23 7.229 7.663 -0.434 1
1 252 . 18 1 1 A 23 23 CYS HA H 23 3.947 4.279 -0.332 1
1 255 . 18 1 1 A 23 23 CYS CA C 23 59.996 59.457 0.539 1
1 256 . 18 1 1 A 23 23 CYS CB C 23 29.000 28.189 0.811 1
1 257 . 18 1 1 A 23 23 CYS N N 23 124.350 118.698 5.652 1
1 258 . 18 1 1 A 24 24 ARG H H 24 8.966 8.770 0.196 1
1 259 . 18 1 1 A 24 24 ARG HA H 24 4.590 4.569 0.021 1
1 266 . 18 1 1 A 24 24 ARG CA C 24 54.306 56.186 -1.880 1
1 267 . 18 1 1 A 24 24 ARG CB C 24 29.771 31.376 -1.605 1
1 270 . 18 1 1 A 24 24 ARG N N 24 129.729 124.218 5.511 1
1 271 . 18 1 1 A 25 25 ASN H H 25 7.823 7.499 0.324 1
1 272 . 18 1 1 A 25 25 ASN HA H 25 4.853 4.622 0.231 1
1 277 . 18 1 1 A 25 25 ASN CA C 25 51.372 53.695 -2.323 1
1 278 . 18 1 1 A 25 25 ASN CB C 25 38.727 38.956 -0.229 1
1 279 . 18 1 1 A 25 25 ASN N N 25 120.186 118.792 1.394 1
1 281 . 18 1 1 A 26 26 ALA H H 26 9.248 8.708 0.540 1
1 282 . 18 1 1 A 26 26 ALA HA H 26 4.091 4.094 -0.003 1
1 286 . 18 1 1 A 26 26 ALA CA C 26 54.027 54.795 -0.768 1
1 287 . 18 1 1 A 26 26 ALA CB C 26 18.209 18.782 -0.573 1
1 288 . 18 1 1 A 26 26 ALA N N 26 130.423 125.719 4.704 1
1 289 . 18 1 1 A 27 27 ASN H H 27 8.085 8.070 0.015 1
1 290 . 18 1 1 A 27 27 ASN HA H 27 4.834 5.018 -0.184 1
1 295 . 18 1 1 A 27 27 ASN CA C 27 51.625 52.045 -0.420 1
1 296 . 18 1 1 A 27 27 ASN CB C 27 38.577 39.486 -0.909 1
1 297 . 18 1 1 A 27 27 ASN N N 27 113.766 115.793 -2.027 1
1 299 . 18 1 1 A 28 28 CYS H H 28 7.209 8.417 -1.208 1
1 300 . 18 1 1 A 28 28 CYS HA H 28 4.053 4.413 -0.360 1
1 303 . 18 1 1 A 28 28 CYS CA C 28 61.312 59.412 1.900 1
1 304 . 18 1 1 A 28 28 CYS CB C 28 29.674 29.173 0.501 1
1 305 . 18 1 1 A 28 28 CYS N N 28 123.309 123.023 0.286 1
1 306 . 18 1 1 A 29 29 SER H H 29 8.922 8.550 0.372 1
1 307 . 18 1 1 A 29 29 SER HA H 29 4.609 4.209 0.400 1
1 310 . 18 1 1 A 29 29 SER CA C 29 57.450 60.863 -3.413 1
1 311 . 18 1 1 A 29 29 SER CB C 29 63.604 63.096 0.508 1
1 312 . 18 1 1 A 29 29 SER N N 29 124.870 118.823 6.047 1
1 313 . 18 1 1 A 30 30 LEU H H 30 8.513 7.578 0.935 1
1 314 . 18 1 1 A 30 30 LEU HA H 30 4.497 4.401 0.096 1
1 324 . 18 1 1 A 30 30 LEU CA C 30 53.980 53.124 0.856 1
1 325 . 18 1 1 A 30 30 LEU CB C 30 40.643 41.703 -1.060 1
1 329 . 18 1 1 A 30 30 LEU N N 30 128.341 124.746 3.595 1
1 330 . 18 1 1 A 31 31 PRO HA H 31 4.329 4.297 0.032 1
1 337 . 18 1 1 A 31 31 PRO CA C 31 65.026 64.679 0.347 1
1 338 . 18 1 1 A 31 31 PRO CB C 31 31.580 32.162 -0.582 1
1 341 . 18 1 1 A 32 32 SER H H 32 8.537 8.152 0.385 1
1 342 . 18 1 1 A 32 32 SER HA H 32 4.287 4.209 0.078 1
1 345 . 18 1 1 A 32 32 SER CA C 32 60.277 61.112 -0.835 1
1 346 . 18 1 1 A 32 32 SER CB C 32 62.277 62.636 -0.359 1
1 347 . 18 1 1 A 32 32 SER N N 32 112.551 111.831 0.720 1
1 348 . 18 1 1 A 33 33 CYS H H 33 7.523 8.083 -0.560 1
1 349 . 18 1 1 A 33 33 CYS HA H 33 4.170 3.925 0.245 1
1 352 . 18 1 1 A 33 33 CYS CA C 33 63.408 62.898 0.510 1
1 353 . 18 1 1 A 33 33 CYS CB C 33 29.503 26.564 2.939 1
1 354 . 18 1 1 A 33 33 CYS N N 33 126.085 120.945 5.140 1
1 355 . 18 1 1 A 34 34 GLN H H 34 8.102 7.839 0.263 1
1 356 . 18 1 1 A 34 34 GLN HA H 34 3.963 4.000 -0.037 1
1 359 . 18 1 1 A 34 34 GLN N N 34 115.711 119.167 -3.456 1
1 361 . 18 1 1 A 35 35 LYS H H 35 8.093 7.721 0.372 1
1 362 . 18 1 1 A 35 35 LYS HA H 35 3.994 4.151 -0.157 1
1 371 . 18 1 1 A 35 35 LYS CA C 35 59.502 59.102 0.400 1
1 372 . 18 1 1 A 35 35 LYS CB C 35 32.273 32.424 -0.151 1
1 376 . 18 1 1 A 35 35 LYS N N 35 117.930 120.235 -2.305 1
1 377 . 18 1 1 A 36 36 MET H H 36 8.237 8.675 -0.438 1
1 378 . 18 1 1 A 36 36 MET HA H 36 4.488 4.077 0.411 1
1 386 . 18 1 1 A 36 36 MET CA C 36 56.725 59.329 -2.604 1
1 387 . 18 1 1 A 36 36 MET CB C 36 30.954 32.649 -1.695 1
1 390 . 18 1 1 A 36 36 MET N N 36 117.062 118.692 -1.630 1
1 391 . 18 1 1 A 37 37 LYS H H 37 9.107 8.091 1.016 1
1 392 . 18 1 1 A 37 37 LYS HA H 37 3.900 4.014 -0.114 1
1 401 . 18 1 1 A 37 37 LYS CA C 37 61.097 59.953 1.144 1
1 402 . 18 1 1 A 37 37 LYS CB C 37 32.947 32.240 0.707 1
1 406 . 18 1 1 A 37 37 LYS N N 37 120.186 119.082 1.104 1
1 407 . 18 1 1 A 38 38 ARG H H 38 7.781 7.975 -0.194 1
1 408 . 18 1 1 A 38 38 ARG HA H 38 4.127 4.095 0.032 1
1 413 . 18 1 1 A 38 38 ARG CA C 38 59.263 59.290 -0.027 1
1 414 . 18 1 1 A 38 38 ARG CB C 38 29.965 30.021 -0.056 1
1 416 . 18 1 1 A 38 38 ARG N N 38 118.971 119.714 -0.743 1
1 417 . 18 1 1 A 39 39 VAL H H 39 8.289 8.152 0.137 1
1 418 . 18 1 1 A 39 39 VAL HA H 39 3.539 3.731 -0.192 1
1 426 . 18 1 1 A 39 39 VAL CA C 39 66.989 66.499 0.490 1
1 427 . 18 1 1 A 39 39 VAL CB C 39 31.451 31.695 -0.244 1
1 430 . 18 1 1 A 39 39 VAL N N 39 123.829 120.130 3.699 1
1 431 . 18 1 1 A 40 40 VAL H H 40 8.318 8.399 -0.081 1
1 432 . 18 1 1 A 40 40 VAL HA H 40 3.528 3.798 -0.270 1
1 440 . 18 1 1 A 40 40 VAL CA C 40 67.050 65.286 1.764 1
1 441 . 18 1 1 A 40 40 VAL CB C 40 31.608 31.310 0.298 1
1 444 . 18 1 1 A 40 40 VAL N N 40 119.665 120.419 -0.754 1
1 445 . 18 1 1 A 41 41 GLN H H 41 8.263 8.055 0.208 1
1 446 . 18 1 1 A 41 41 GLN HA H 41 3.974 3.935 0.039 1
1 453 . 18 1 1 A 41 41 GLN CA C 41 58.571 59.236 -0.665 1
1 454 . 18 1 1 A 41 41 GLN CB C 41 28.018 28.433 -0.415 1
1 456 . 18 1 1 A 41 41 GLN N N 41 118.450 122.093 -3.643 1
1 458 . 18 1 1 A 42 42 HIS H H 42 8.309 8.195 0.114 1
1 459 . 18 1 1 A 42 42 HIS HA H 42 4.215 4.321 -0.106 1
1 463 . 18 1 1 A 42 42 HIS CA C 42 59.402 59.433 -0.031 1
1 464 . 18 1 1 A 42 42 HIS CB C 42 26.966 30.450 -3.484 1
1 466 . 18 1 1 A 42 42 HIS N N 42 118.971 119.987 -1.016 1
1 467 . 18 1 1 A 43 43 THR H H 43 8.056 8.162 -0.106 1
1 468 . 18 1 1 A 43 43 THR HA H 43 3.929 3.758 0.171 1
1 474 . 18 1 1 A 43 43 THR CA C 43 66.101 67.221 -1.120 1
1 475 . 18 1 1 A 43 43 THR CB C 43 69.107 68.293 0.814 1
1 477 . 18 1 1 A 43 43 THR N N 43 114.320 113.442 0.878 1
1 478 . 18 1 1 A 44 44 LYS H H 44 7.531 7.914 -0.383 1
1 479 . 18 1 1 A 44 44 LYS HA H 44 4.085 4.140 -0.055 1
1 488 . 18 1 1 A 44 44 LYS CA C 44 58.682 59.102 -0.420 1
1 489 . 18 1 1 A 44 44 LYS CB C 44 32.024 32.521 -0.497 1
1 493 . 18 1 1 A 44 44 LYS N N 44 120.012 119.294 0.718 1
1 494 . 18 1 1 A 45 45 GLY H H 45 7.143 7.760 -0.617 1
1 495 . 18 1 1 A 45 45 GLY HA2 H 45 3.625 4.043 -0.418 1
1 496 . 18 1 1 A 45 45 GLY HA3 H 45 4.387 4.064 0.323 1
1 497 . 18 1 1 A 45 45 GLY CA C 45 44.289 45.216 -0.927 1
1 498 . 18 1 1 A 45 45 GLY N N 45 103.528 106.914 -3.386 1
1 499 . 18 1 1 A 46 46 CYS H H 46 6.988 7.282 -0.294 1
1 500 . 18 1 1 A 46 46 CYS HA H 46 3.955 4.421 -0.466 1
1 503 . 18 1 1 A 46 46 CYS CA C 46 60.654 58.929 1.725 1
1 504 . 18 1 1 A 46 46 CYS CB C 46 29.793 28.533 1.260 1
1 505 . 18 1 1 A 46 46 CYS N N 46 123.656 120.076 3.580 1
1 506 . 18 1 1 A 47 47 LYS H H 47 9.060 8.908 0.152 1
1 507 . 18 1 1 A 47 47 LYS HA H 47 4.489 4.517 -0.028 1
1 516 . 18 1 1 A 47 47 LYS CA C 47 56.127 56.088 0.039 1
1 517 . 18 1 1 A 47 47 LYS CB C 47 32.393 32.879 -0.486 1
1 521 . 18 1 1 A 47 47 LYS N N 47 127.820 124.998 2.822 1
1 522 . 18 1 1 A 48 48 ARG H H 48 8.537 7.581 0.956 1
1 523 . 18 1 1 A 48 48 ARG HA H 48 4.330 4.247 0.083 1
1 530 . 18 1 1 A 48 48 ARG CA C 48 57.648 58.398 -0.750 1
1 531 . 18 1 1 A 48 48 ARG CB C 48 31.810 30.690 1.120 1
1 534 . 18 1 1 A 48 48 ARG N N 48 122.615 117.423 5.192 1
1 535 . 18 1 1 A 49 49 LYS H H 49 8.522 7.829 0.693 1
1 536 . 18 1 1 A 49 49 LYS HA H 49 4.554 4.249 0.305 1
1 545 . 18 1 1 A 49 49 LYS CA C 49 57.417 56.761 0.656 1
1 546 . 18 1 1 A 49 49 LYS CB C 49 31.543 31.914 -0.371 1
1 550 . 18 1 1 A 49 49 LYS N N 49 117.583 119.287 -1.704 1
1 551 . 18 1 1 A 50 50 THR H H 50 7.992 8.879 -0.887 1
1 552 . 18 1 1 A 50 50 THR HA H 50 4.127 3.871 0.256 1
1 557 . 18 1 1 A 50 50 THR CA C 50 63.985 65.868 -1.883 1
1 558 . 18 1 1 A 50 50 THR CB C 50 68.157 68.422 -0.265 1
1 560 . 18 1 1 A 50 50 THR N N 50 113.245 113.477 -0.232 1
1 561 . 18 1 1 A 51 51 ASN H H 51 8.888 8.163 0.725 1
1 562 . 18 1 1 A 51 51 ASN HA H 51 4.665 4.450 0.215 1
1 567 . 18 1 1 A 51 51 ASN CA C 51 54.159 55.942 -1.783 1
1 568 . 18 1 1 A 51 51 ASN CB C 51 37.857 38.614 -0.757 1
1 570 . 18 1 1 A 52 52 GLY H H 52 7.972 7.759 0.213 1
1 571 . 18 1 1 A 52 52 GLY HA2 H 52 3.893 3.936 -0.043 1
1 572 . 18 1 1 A 52 52 GLY HA3 H 52 4.101 3.939 0.162 1
1 573 . 18 1 1 A 52 52 GLY CA C 52 45.368 45.716 -0.348 1
1 574 . 18 1 1 A 52 52 GLY N N 52 106.651 105.998 0.653 1
1 575 . 18 1 1 A 53 53 GLY H H 53 7.765 7.974 -0.209 1
1 576 . 18 1 1 A 53 53 GLY HA2 H 53 3.837 4.064 -0.227 1
1 577 . 18 1 1 A 53 53 GLY HA3 H 53 4.079 4.066 0.013 1
1 578 . 18 1 1 A 53 53 GLY CA C 53 45.227 44.944 0.283 1
1 579 . 18 1 1 A 53 53 GLY N N 53 107.519 106.919 0.600 1
1 580 . 18 1 1 A 54 54 CYS H H 54 8.099 7.806 0.293 1
1 581 . 18 1 1 A 54 54 CYS HA H 54 4.720 4.537 0.183 1
1 584 . 18 1 1 A 54 54 CYS CA C 54 55.572 57.395 -1.823 1
1 585 . 18 1 1 A 54 54 CYS CB C 54 30.216 28.714 1.502 1
1 586 . 18 1 1 A 54 54 CYS N N 54 122.615 119.800 2.815 1
1 587 . 18 1 1 A 55 55 PRO HA H 55 4.237 4.472 -0.235 1
1 594 . 18 1 1 A 55 55 PRO CA C 55 64.757 64.039 0.718 1
1 595 . 18 1 1 A 55 55 PRO CB C 55 32.311 31.962 0.349 1
1 598 . 18 1 1 A 56 56 VAL H H 56 7.645 7.177 0.468 1
1 599 . 18 1 1 A 56 56 VAL HA H 56 3.384 3.676 -0.292 1
1 607 . 18 1 1 A 56 56 VAL CA C 56 66.184 65.893 0.291 1
1 608 . 18 1 1 A 56 56 VAL CB C 56 32.502 31.491 1.011 1
1 611 . 18 1 1 A 56 56 VAL N N 56 121.227 116.539 4.688 1
1 612 . 18 1 1 A 57 57 CYS H H 57 8.565 7.806 0.759 1
1 613 . 18 1 1 A 57 57 CYS HA H 57 4.034 4.079 -0.045 1
1 616 . 18 1 1 A 57 57 CYS CA C 57 65.746 63.518 2.228 1
1 617 . 18 1 1 A 57 57 CYS CB C 57 29.273 27.185 2.088 1
1 618 . 18 1 1 A 57 57 CYS N N 57 122.615 117.829 4.786 1
1 619 . 18 1 1 A 58 58 LYS H H 58 7.956 7.682 0.274 1
1 620 . 18 1 1 A 58 58 LYS HA H 58 3.874 3.834 0.040 1
1 629 . 18 1 1 A 58 58 LYS CA C 58 59.955 59.379 0.576 1
1 630 . 18 1 1 A 58 58 LYS CB C 58 32.272 32.209 0.063 1
1 634 . 18 1 1 A 58 58 LYS N N 58 116.889 121.223 -4.334 1
1 635 . 18 1 1 A 59 59 GLN H H 59 7.359 7.700 -0.341 1
1 636 . 18 1 1 A 59 59 GLN HA H 59 3.789 4.060 -0.271 1
1 643 . 18 1 1 A 59 59 GLN CA C 59 60.647 58.810 1.837 1
1 644 . 18 1 1 A 59 59 GLN CB C 59 27.196 28.150 -0.954 1
1 646 . 18 1 1 A 59 59 GLN N N 59 116.889 118.582 -1.693 1
1 648 . 18 1 1 A 60 60 LEU H H 60 8.303 7.689 0.614 1
1 649 . 18 1 1 A 60 60 LEU HA H 60 4.093 4.000 0.093 1
1 659 . 18 1 1 A 60 60 LEU CA C 60 58.110 57.932 0.178 1
1 660 . 18 1 1 A 60 60 LEU CB C 60 40.807 41.906 -1.099 1
1 664 . 18 1 1 A 60 60 LEU N N 60 118.103 119.404 -1.301 1
1 665 . 18 1 1 A 61 61 ILE H H 61 8.804 7.997 0.807 1
1 666 . 18 1 1 A 61 61 ILE HA H 61 3.801 3.552 0.249 1
1 676 . 18 1 1 A 61 61 ILE CA C 61 63.416 65.659 -2.243 1
1 677 . 18 1 1 A 61 61 ILE CB C 61 36.886 37.611 -0.725 1
1 681 . 18 1 1 A 61 61 ILE N N 61 118.624 118.622 0.002 1
1 682 . 18 1 1 A 62 62 ALA H H 62 7.796 7.805 -0.009 1
1 683 . 18 1 1 A 62 62 ALA HA H 62 4.058 4.120 -0.062 1
1 687 . 18 1 1 A 62 62 ALA CA C 62 56.030 55.378 0.652 1
1 688 . 18 1 1 A 62 62 ALA CB C 62 18.068 18.332 -0.264 1
1 689 . 18 1 1 A 62 62 ALA N N 62 124.003 122.588 1.415 1
1 690 . 18 1 1 A 63 63 LEU H H 63 8.011 7.747 0.264 1
1 691 . 18 1 1 A 63 63 LEU HA H 63 4.077 4.121 -0.044 1
1 701 . 18 1 1 A 63 63 LEU CA C 63 58.110 57.875 0.235 1
1 702 . 18 1 1 A 63 63 LEU CB C 63 42.116 41.298 0.818 1
1 706 . 18 1 1 A 63 63 LEU N N 63 117.583 119.450 -1.867 1
1 707 . 18 1 1 A 64 64 CYS H H 64 8.818 8.668 0.150 1
1 708 . 18 1 1 A 64 64 CYS HA H 64 4.053 4.319 -0.266 1
1 711 . 18 1 1 A 64 64 CYS CA C 64 64.800 62.819 1.981 1
1 712 . 18 1 1 A 64 64 CYS CB C 64 26.504 27.054 -0.550 1
1 713 . 18 1 1 A 64 64 CYS N N 64 118.277 116.897 1.380 1
1 714 . 18 1 1 A 65 65 CYS H H 65 8.793 8.671 0.122 1
1 715 . 18 1 1 A 65 65 CYS HA H 65 4.258 4.145 0.113 1
1 718 . 18 1 1 A 65 65 CYS CA C 65 63.646 63.705 -0.059 1
1 719 . 18 1 1 A 65 65 CYS CB C 65 26.966 27.312 -0.346 1
1 720 . 18 1 1 A 65 65 CYS N N 65 118.971 119.294 -0.323 1
1 721 . 18 1 1 A 66 66 TYR H H 66 8.369 8.523 -0.154 1
1 722 . 18 1 1 A 66 66 TYR HA H 66 4.034 4.191 -0.157 1
1 729 . 18 1 1 A 66 66 TYR CA C 66 60.886 61.849 -0.963 1
1 730 . 18 1 1 A 66 66 TYR CB C 66 37.808 38.501 -0.693 1
1 733 . 18 1 1 A 66 66 TYR N N 66 121.574 122.595 -1.021 1
1 734 . 18 1 1 A 67 67 HIS H H 67 8.633 7.620 1.013 1
1 735 . 18 1 1 A 67 67 HIS HA H 67 4.318 4.318 0.000 1
1 740 . 18 1 1 A 67 67 HIS CA C 67 58.998 59.920 -0.922 1
1 741 . 18 1 1 A 67 67 HIS CB C 67 27.409 30.263 -2.854 1
1 744 . 18 1 1 A 67 67 HIS N N 67 117.409 118.814 -1.405 1
1 745 . 18 1 1 A 68 68 ALA H H 68 8.725 8.901 -0.176 1
1 746 . 18 1 1 A 68 68 ALA HA H 68 4.019 3.928 0.091 1
1 750 . 18 1 1 A 68 68 ALA CA C 68 54.690 55.114 -0.424 1
1 751 . 18 1 1 A 68 68 ALA CB C 68 19.964 18.431 1.533 1
1 752 . 18 1 1 A 68 68 ALA N N 68 122.094 120.850 1.244 1
1 753 . 18 1 1 A 69 69 LYS H H 69 7.362 7.983 -0.621 1
1 754 . 18 1 1 A 69 69 LYS HA H 69 3.736 3.801 -0.065 1
1 763 . 18 1 1 A 69 69 LYS CA C 69 58.137 59.180 -1.043 1
1 764 . 18 1 1 A 69 69 LYS CB C 69 32.224 32.114 0.110 1
1 768 . 18 1 1 A 69 69 LYS N N 69 114.807 118.157 -3.350 1
1 769 . 18 1 1 A 70 70 HIS H H 70 7.011 7.319 -0.308 1
1 770 . 18 1 1 A 70 70 HIS HA H 70 4.697 4.349 0.348 1
1 774 . 18 1 1 A 70 70 HIS CA C 70 54.835 57.835 -3.000 1
1 775 . 18 1 1 A 70 70 HIS CB C 70 30.477 30.982 -0.505 1
1 777 . 18 1 1 A 70 70 HIS N N 70 112.898 113.201 -0.303 1
1 778 . 18 1 1 A 71 71 CYS H H 71 7.012 7.380 -0.368 1
1 779 . 18 1 1 A 71 71 CYS HA H 71 4.032 4.178 -0.146 1
1 782 . 18 1 1 A 71 71 CYS CA C 71 59.948 59.956 -0.008 1
1 783 . 18 1 1 A 71 71 CYS CB C 71 29.752 27.884 1.868 1
1 784 . 18 1 1 A 71 71 CYS N N 71 123.829 117.157 6.672 1
1 785 . 18 1 1 A 72 72 GLN H H 72 9.181 8.766 0.415 1
1 786 . 18 1 1 A 72 72 GLN HA H 72 4.674 4.554 0.120 1
1 793 . 18 1 1 A 72 72 GLN CA C 72 54.224 55.516 -1.292 1
1 794 . 18 1 1 A 72 72 GLN CB C 72 29.049 30.093 -1.044 1
1 796 . 18 1 1 A 72 72 GLN N N 72 128.341 122.913 5.428 1
1 798 . 18 1 1 A 73 73 GLU H H 73 8.396 7.270 1.126 1
1 799 . 18 1 1 A 73 73 GLU HA H 73 4.389 4.301 0.088 1
1 804 . 18 1 1 A 73 73 GLU CA C 73 55.341 56.879 -1.538 1
1 805 . 18 1 1 A 73 73 GLU CB C 73 30.239 30.834 -0.595 1
1 807 . 18 1 1 A 73 73 GLU N N 73 123.309 122.700 0.609 1
1 808 . 18 1 1 A 74 74 ASN H H 74 8.921 9.074 -0.153 1
1 809 . 18 1 1 A 74 74 ASN HA H 74 4.538 4.975 -0.437 1
1 814 . 18 1 1 A 74 74 ASN CA C 74 54.666 53.200 1.466 1
1 815 . 18 1 1 A 74 74 ASN CB C 74 38.301 39.322 -1.021 1
1 816 . 18 1 1 A 74 74 ASN N N 74 124.870 121.985 2.885 1
1 818 . 18 1 1 A 75 75 LYS H H 75 8.847 7.845 1.002 1
1 819 . 18 1 1 A 75 75 LYS HA H 75 4.442 4.633 -0.191 1
1 828 . 18 1 1 A 75 75 LYS CA C 75 54.327 55.263 -0.936 1
1 829 . 18 1 1 A 75 75 LYS CB C 75 30.837 33.328 -2.491 1
1 833 . 18 1 1 A 75 75 LYS N N 75 121.574 117.009 4.565 1
1 834 . 18 1 1 A 76 76 CYS H H 76 7.191 7.339 -0.148 1
1 835 . 18 1 1 A 76 76 CYS HA H 76 4.389 4.453 -0.064 1
1 838 . 18 1 1 A 76 76 CYS CA C 76 57.270 57.680 -0.410 1
1 839 . 18 1 1 A 76 76 CYS CB C 76 30.613 28.350 2.263 1
1 840 . 18 1 1 A 76 76 CYS N N 76 124.350 121.619 2.731 1
1 841 . 18 1 1 A 77 77 PRO HA H 77 4.673 4.493 0.180 1
1 848 . 18 1 1 A 77 77 PRO CA C 77 62.878 64.336 -1.458 1
1 849 . 18 1 1 A 77 77 PRO CB C 77 31.950 32.036 -0.086 1
1 852 . 18 1 1 A 78 78 VAL H H 78 8.974 7.777 1.197 1
1 853 . 18 1 1 A 78 78 VAL HA H 78 4.187 4.211 -0.024 1
1 861 . 18 1 1 A 78 78 VAL CA C 78 61.637 60.957 0.680 1
1 862 . 18 1 1 A 78 78 VAL CB C 78 31.654 32.103 -0.449 1
1 865 . 18 1 1 A 78 78 VAL N N 78 128.688 119.552 9.136 1
1 866 . 18 1 1 A 79 79 PRO HA H 79 3.938 4.223 -0.285 1
1 873 . 18 1 1 A 79 79 PRO CA C 79 63.962 65.163 -1.201 1
1 874 . 18 1 1 A 79 79 PRO CB C 79 30.887 31.950 -1.063 1
1 877 . 18 1 1 A 80 80 PHE HA H 80 4.350 4.321 0.029 1
1 884 . 18 1 1 A 80 80 PHE CA C 80 59.032 60.278 -1.246 1
1 885 . 18 1 1 A 80 80 PHE CB C 80 37.686 38.630 -0.944 1
1 888 . 18 1 1 A 81 81 CYS H H 81 7.686 8.280 -0.594 1
1 889 . 18 1 1 A 81 81 CYS HA H 81 4.001 4.192 -0.191 1
1 892 . 18 1 1 A 81 81 CYS CA C 81 64.779 62.484 2.295 1
1 893 . 18 1 1 A 81 81 CYS CB C 81 29.524 26.578 2.946 1
1 894 . 18 1 1 A 81 81 CYS N N 81 124.176 118.757 5.419 1
1 895 . 18 1 1 A 82 82 LEU H H 82 8.267 8.430 -0.163 1
1 896 . 18 1 1 A 82 82 LEU HA H 82 4.010 3.975 0.035 1
1 906 . 18 1 1 A 82 82 LEU CA C 82 58.340 58.185 0.155 1
1 907 . 18 1 1 A 82 82 LEU CB C 82 40.862 41.495 -0.633 1
1 911 . 18 1 1 A 82 82 LEU N N 82 114.980 121.028 -6.048 1
1 912 . 18 1 1 A 83 83 ASN H H 83 7.917 7.837 0.080 1
1 913 . 18 1 1 A 83 83 ASN HA H 83 4.490 4.456 0.034 1
1 918 . 18 1 1 A 83 83 ASN CA C 83 56.061 55.917 0.144 1
1 919 . 18 1 1 A 83 83 ASN CB C 83 38.494 38.500 -0.006 1
1 920 . 18 1 1 A 83 83 ASN N N 83 116.542 117.128 -0.586 1
1 922 . 18 1 1 A 84 84 ILE H H 84 8.788 8.381 0.407 1
1 923 . 18 1 1 A 84 84 ILE HA H 84 3.734 3.726 0.008 1
1 933 . 18 1 1 A 84 84 ILE CA C 84 65.142 65.219 -0.077 1
1 934 . 18 1 1 A 84 84 ILE CB C 84 38.039 37.617 0.422 1
1 938 . 18 1 1 A 84 84 ILE N N 84 121.747 120.565 1.182 1
1 939 . 18 1 1 A 85 85 LYS H H 85 8.954 8.537 0.417 1
1 940 . 18 1 1 A 85 85 LYS HA H 85 3.839 4.121 -0.282 1
1 949 . 18 1 1 A 85 85 LYS CA C 85 60.936 58.855 2.081 1
1 950 . 18 1 1 A 85 85 LYS CB C 85 32.041 32.206 -0.165 1
1 954 . 18 1 1 A 85 85 LYS N N 85 119.665 120.489 -0.824 1
1 955 . 18 1 1 A 86 86 HIS H H 86 8.043 8.093 -0.050 1
1 956 . 18 1 1 A 86 86 HIS HA H 86 4.411 4.351 0.060 1
1 960 . 18 1 1 A 86 86 HIS CA C 86 58.746 59.323 -0.577 1
1 961 . 18 1 1 A 86 86 HIS CB C 86 30.067 29.713 0.354 1
1 963 . 18 1 1 A 86 86 HIS N N 86 116.542 119.137 -2.595 1
1 964 . 18 1 1 A 87 87 LYS H H 87 7.822 7.834 -0.012 1
1 965 . 18 1 1 A 87 87 LYS HA H 87 4.158 4.132 0.026 1
1 968 . 18 1 1 A 87 87 LYS CA C 87 57.879 58.917 -1.038 1
1 969 . 18 1 1 A 87 87 LYS N N 87 119.318 119.230 0.088 1
1 970 . 18 1 1 A 88 88 LEU H H 88 8.405 8.432 -0.027 1
1 971 . 18 1 1 A 88 88 LEU HA H 88 4.194 3.927 0.267 1
1 981 . 18 1 1 A 88 88 LEU CA C 88 56.289 58.002 -1.713 1
1 982 . 18 1 1 A 88 88 LEU CB C 88 41.692 41.363 0.329 1
1 986 . 18 1 1 A 88 88 LEU N N 88 119.144 120.115 -0.971 1
1 987 . 18 1 1 A 89 89 ARG H H 89 7.826 8.295 -0.469 1
1 988 . 18 1 1 A 89 89 ARG HA H 89 4.271 4.045 0.226 1
1 995 . 18 1 1 A 89 89 ARG CA C 89 56.666 59.354 -2.688 1
1 996 . 18 1 1 A 89 89 ARG CB C 89 29.965 29.855 0.110 1
1 999 . 18 1 1 A 89 89 ARG N N 89 118.450 118.904 -0.454 1
1 1000 . 18 1 1 A 90 90 GLN H H 90 7.935 8.184 -0.249 1
1 1001 . 18 1 1 A 90 90 GLN HA H 90 4.270 4.140 0.130 1
1 1008 . 18 1 1 A 90 90 GLN CA C 90 55.840 57.452 -1.612 1
1 1009 . 18 1 1 A 90 90 GLN CB C 90 28.989 28.486 0.503 1
1 1011 . 18 1 1 A 90 90 GLN N N 90 119.318 116.681 2.637 1
1 1013 . 18 1 1 A 91 91 GLN H H 91 8.141 7.706 0.435 1
1 1014 . 18 1 1 A 91 91 GLN HA H 91 4.352 4.373 -0.021 1
1 1021 . 18 1 1 A 91 91 GLN CA C 91 55.581 55.655 -0.074 1
1 1022 . 18 1 1 A 91 91 GLN CB C 91 29.284 29.367 -0.083 1
1 1024 . 18 1 1 A 91 91 GLN N N 91 120.706 116.778 3.928 1
1 1043 . 18 2 2 B 2 2 SER CB C 707 63.646 63.044 0.602 1
1 1044 . 18 2 2 B 3 3 HIS HA H 708 4.663 4.459 0.204 1
1 1047 . 18 2 2 B 3 3 HIS CA C 708 56.033 56.772 -0.739 1
1 1048 . 18 2 2 B 3 3 HIS CB C 708 30.146 30.489 -0.343 1
1 1053 . 18 2 2 B 5 5 SER H H 710 8.437 8.249 0.188 1
1 1054 . 18 2 2 B 5 5 SER HA H 710 4.429 4.929 -0.500 1
1 1057 . 18 2 2 B 5 5 SER CA C 710 58.340 56.599 1.741 1
1 1058 . 18 2 2 B 5 5 SER CB C 710 63.416 64.205 -0.789 1
1 1059 . 18 2 2 B 5 5 SER N N 710 117.160 114.743 2.417 1
1 1060 . 18 2 2 B 6 6 GLU H H 711 8.458 8.523 -0.065 1
1 1061 . 18 2 2 B 6 6 GLU HA H 711 4.311 4.670 -0.359 1
1 1066 . 18 2 2 B 6 6 GLU CA C 711 56.033 55.571 0.462 1
1 1067 . 18 2 2 B 6 6 GLU CB C 711 30.223 30.666 -0.443 1
1 1069 . 18 2 2 B 6 6 GLU N N 711 123.053 123.402 -0.349 1
1 1070 . 18 2 2 B 7 7 VAL H H 712 8.150 7.019 1.131 1
1 1071 . 18 2 2 B 7 7 VAL HA H 712 4.050 4.554 -0.504 1
1 1079 . 18 2 2 B 7 7 VAL CA C 712 61.801 59.734 2.067 1
1 1080 . 18 2 2 B 7 7 VAL CB C 712 32.041 35.027 -2.986 1
1 1083 . 18 2 2 B 7 7 VAL N N 712 121.173 118.981 2.192 1
1 1084 . 18 2 2 B 8 8 HIS H H 713 8.495 8.704 -0.209 1
1 1085 . 18 2 2 B 8 8 HIS HA H 713 4.914 5.112 -0.198 1
1 1089 . 18 2 2 B 8 8 HIS CA C 713 53.945 53.365 0.580 1
1 1090 . 18 2 2 B 8 8 HIS CB C 713 30.218 32.767 -2.549 1
1 1092 . 18 2 2 B 8 8 HIS N N 713 125.310 122.969 2.341 1
1 1093 . 18 2 2 B 9 9 PRO HA H 714 4.430 4.521 -0.091 1
1 1100 . 18 2 2 B 9 9 PRO CA C 714 63.409 62.942 0.467 1
1 1101 . 18 2 2 B 9 9 PRO CB C 714 32.018 33.126 -1.108 1
1 1104 . 18 2 2 B 10 10 SER H H 715 8.889 8.462 0.427 1
1 1105 . 18 2 2 B 10 10 SER HA H 715 4.437 5.046 -0.609 1
1 1108 . 18 2 2 B 10 10 SER CA C 715 58.571 57.289 1.282 1
1 1109 . 18 2 2 B 10 10 SER CB C 715 63.213 66.416 -3.203 1
1 1110 . 18 2 2 B 10 10 SER N N 715 116.533 112.640 3.893 1
1 1111 . 18 2 2 B 11 11 ARG H H 716 8.442 8.752 -0.310 1
1 1112 . 18 2 2 B 11 11 ARG HA H 716 4.388 5.141 -0.753 1
1 1119 . 18 2 2 B 11 11 ARG CA C 716 55.882 54.621 1.261 1
1 1120 . 18 2 2 B 11 11 ARG CB C 716 30.395 34.164 -3.769 1
1 1123 . 18 2 2 B 11 11 ARG N N 716 122.803 119.520 3.283 1
1 1124 . 18 2 2 B 12 12 LEU H H 717 8.133 8.969 -0.836 1
1 1125 . 18 2 2 B 12 12 LEU HA H 717 4.356 4.674 -0.318 1
1 1135 . 18 2 2 B 12 12 LEU CA C 717 54.880 54.350 0.530 1
1 1136 . 18 2 2 B 12 12 LEU CB C 717 42.081 43.308 -1.227 1
1 1140 . 18 2 2 B 12 12 LEU N N 717 122.552 121.911 0.641 1
1 1141 . 18 2 2 B 13 13 GLN H H 718 8.440 7.477 0.963 1
1 1142 . 18 2 2 B 13 13 GLN HA H 718 4.454 4.812 -0.358 1
1 1149 . 18 2 2 B 13 13 GLN CA C 718 55.341 54.023 1.318 1
1 1150 . 18 2 2 B 13 13 GLN CB C 718 29.285 32.935 -3.650 1
1 1152 . 18 2 2 B 13 13 GLN N N 718 121.298 117.603 3.695 1
1 1154 . 18 2 2 B 14 14 THR H H 719 8.257 8.499 -0.242 1
1 1155 . 18 2 2 B 14 14 THR HA H 719 4.438 4.165 0.273 1
1 1160 . 18 2 2 B 14 14 THR CA C 719 61.339 63.887 -2.548 1
1 1161 . 18 2 2 B 14 14 THR CB C 719 69.456 69.157 0.299 1
1 1163 . 18 2 2 B 14 14 THR N N 719 115.154 115.154 0.000 1
1 1164 . 18 2 2 B 15 15 THR H H 720 8.240 7.642 0.598 1
1 1165 . 18 2 2 B 15 15 THR HA H 720 4.275 4.606 -0.331 1
1 1170 . 18 2 2 B 15 15 THR CA C 720 61.967 59.813 2.154 1
1 1171 . 18 2 2 B 15 15 THR CB C 720 69.183 72.153 -2.970 1
1 1173 . 18 2 2 B 15 15 THR N N 720 115.029 111.637 3.392 1
1 1174 . 18 2 2 B 16 16 ASP H H 721 8.293 8.756 -0.463 1
1 1175 . 18 2 2 B 16 16 ASP HA H 721 4.494 4.231 0.263 1
1 1178 . 18 2 2 B 16 16 ASP CA C 721 54.880 56.012 -1.132 1
1 1179 . 18 2 2 B 16 16 ASP CB C 721 40.891 38.875 2.016 1
1 1180 . 18 2 2 B 16 16 ASP N N 721 122.427 119.484 2.943 1
1 1181 . 18 2 2 B 17 17 ASN H H 722 8.272 8.006 0.266 1
1 1182 . 18 2 2 B 17 17 ASN HA H 722 4.577 4.882 -0.305 1
1 1187 . 18 2 2 B 17 17 ASN CA C 722 53.330 52.536 0.794 1
1 1188 . 18 2 2 B 17 17 ASN CB C 722 38.332 39.155 -0.823 1
1 1189 . 18 2 2 B 17 17 ASN N N 722 118.916 116.430 2.486 1
1 1191 . 18 2 2 B 18 18 LEU H H 723 8.204 7.706 0.498 1
1 1192 . 18 2 2 B 18 18 LEU HA H 723 4.191 4.188 0.003 1
1 1202 . 18 2 2 B 18 18 LEU CA C 723 54.200 56.990 -2.790 1
1 1203 . 18 2 2 B 18 18 LEU CB C 723 43.545 41.466 2.079 1
1 1207 . 18 2 2 B 18 18 LEU N N 723 121.173 119.031 2.142 1
1 1208 . 18 2 2 B 19 19 LEU H H 724 7.416 7.469 -0.053 1
1 1209 . 18 2 2 B 19 19 LEU HA H 724 4.273 4.335 -0.062 1
1 1219 . 18 2 2 B 19 19 LEU CA C 724 52.415 53.907 -1.492 1
1 1220 . 18 2 2 B 19 19 LEU CB C 724 40.471 42.208 -1.737 1
1 1224 . 18 2 2 B 19 19 LEU N N 724 117.286 121.755 -4.469 1
1 1225 . 18 2 2 B 20 20 PRO HA H 725 4.271 4.527 -0.256 1
1 1232 . 18 2 2 B 20 20 PRO CA C 725 63.877 64.132 -0.255 1
1 1233 . 18 2 2 B 20 20 PRO CB C 725 32.716 31.955 0.761 1
1 1236 . 18 2 2 B 21 21 MET H H 726 8.932 7.594 1.338 1
1 1237 . 18 2 2 B 21 21 MET HA H 726 4.841 4.862 -0.021 1
1 1245 . 18 2 2 B 21 21 MET CA C 726 54.199 54.383 -0.184 1
1 1246 . 18 2 2 B 21 21 MET CB C 726 36.939 35.708 1.231 1
1 1249 . 18 2 2 B 21 21 MET N N 726 116.784 119.171 -2.387 1
1 1250 . 18 2 2 B 22 22 SER H H 727 8.956 9.123 -0.167 1
1 1251 . 18 2 2 B 22 22 SER HA H 727 4.771 4.810 -0.039 1
1 1254 . 18 2 2 B 22 22 SER CA C 727 56.255 56.792 -0.537 1
1 1255 . 18 2 2 B 22 22 SER CB C 727 62.528 63.461 -0.933 1
1 1256 . 18 2 2 B 22 22 SER N N 727 119.167 121.093 -1.926 1
1 1257 . 18 2 2 B 23 23 PRO HA H 728 4.312 4.316 -0.004 1
1 1264 . 18 2 2 B 23 23 PRO CA C 728 65.953 65.667 0.286 1
1 1265 . 18 2 2 B 23 23 PRO CB C 728 31.810 31.799 0.011 1
1 1268 . 18 2 2 B 24 24 GLU H H 729 8.877 8.419 0.458 1
1 1269 . 18 2 2 B 24 24 GLU HA H 729 4.163 4.061 0.102 1
1 1274 . 18 2 2 B 24 24 GLU CA C 729 59.748 60.008 -0.260 1
1 1275 . 18 2 2 B 24 24 GLU CB C 729 28.819 28.892 -0.073 1
1 1277 . 18 2 2 B 24 24 GLU N N 729 116.283 117.572 -1.289 1
1 1278 . 18 2 2 B 25 25 GLU H H 730 7.789 7.554 0.235 1
1 1279 . 18 2 2 B 25 25 GLU HA H 730 3.787 4.016 -0.229 1
1 1284 . 18 2 2 B 25 25 GLU CA C 730 59.266 59.070 0.196 1
1 1285 . 18 2 2 B 25 25 GLU CB C 730 29.501 29.512 -0.011 1
1 1287 . 18 2 2 B 25 25 GLU N N 730 121.298 120.408 0.890 1
1 1288 . 18 2 2 B 26 26 PHE H H 731 8.730 8.624 0.106 1
1 1289 . 18 2 2 B 26 26 PHE HA H 731 4.364 4.209 0.155 1
1 1296 . 18 2 2 B 26 26 PHE CA C 731 59.724 61.196 -1.472 1
1 1297 . 18 2 2 B 26 26 PHE CB C 731 38.230 39.395 -1.165 1
1 1300 . 18 2 2 B 26 26 PHE N N 731 119.543 121.422 -1.879 1
1 1301 . 18 2 2 B 27 27 ASP H H 732 8.587 8.409 0.178 1
1 1302 . 18 2 2 B 27 27 ASP HA H 732 4.097 4.136 -0.039 1
1 1305 . 18 2 2 B 27 27 ASP CA C 732 57.256 57.408 -0.152 1
1 1306 . 18 2 2 B 27 27 ASP CB C 732 40.421 40.112 0.309 1
1 1307 . 18 2 2 B 27 27 ASP N N 732 121.549 118.586 2.963 1
1 1308 . 18 2 2 B 28 28 GLU H H 733 7.383 7.901 -0.518 1
1 1309 . 18 2 2 B 28 28 GLU HA H 733 4.155 4.085 0.070 1
1 1314 . 18 2 2 B 28 28 GLU CA C 733 58.749 58.904 -0.155 1
1 1315 . 18 2 2 B 28 28 GLU CB C 733 28.933 29.419 -0.486 1
1 1317 . 18 2 2 B 28 28 GLU N N 733 119.793 119.429 0.364 1
1 1318 . 18 2 2 B 29 29 VAL H H 734 8.246 7.936 0.310 1
1 1319 . 18 2 2 B 29 29 VAL HA H 734 3.595 3.457 0.138 1
1 1327 . 18 2 2 B 29 29 VAL CA C 734 66.219 66.260 -0.041 1
1 1328 . 18 2 2 B 29 29 VAL CB C 734 31.362 31.448 -0.086 1
1 1331 . 18 2 2 B 29 29 VAL N N 734 118.540 120.965 -2.425 1
1 1332 . 18 2 2 B 30 30 SER H H 735 8.384 8.150 0.234 1
1 1333 . 18 2 2 B 30 30 SER HA H 735 3.912 3.813 0.099 1
1 1336 . 18 2 2 B 30 30 SER CA C 735 61.703 62.241 -0.538 1
1 1337 . 18 2 2 B 30 30 SER CB C 735 62.059 62.507 -0.448 1
1 1338 . 18 2 2 B 30 30 SER N N 735 115.154 115.150 0.004 1
1 1339 . 18 2 2 B 31 31 ARG H H 736 7.683 8.067 -0.384 1
1 1340 . 18 2 2 B 31 31 ARG HA H 736 4.027 4.064 -0.037 1
1 1348 . 18 2 2 B 31 31 ARG CA C 736 58.571 58.584 -0.013 1
1 1349 . 18 2 2 B 31 31 ARG CB C 736 30.068 29.809 0.259 1
1 1352 . 18 2 2 B 31 31 ARG N N 736 121.549 120.725 0.824 1
1 1354 . 18 2 2 B 32 32 ILE H H 737 7.703 7.214 0.489 1
1 1355 . 18 2 2 B 32 32 ILE HA H 737 3.859 3.912 -0.053 1
1 1365 . 18 2 2 B 32 32 ILE CA C 737 63.445 63.914 -0.469 1
1 1366 . 18 2 2 B 32 32 ILE CB C 737 38.332 38.055 0.277 1
1 1370 . 18 2 2 B 32 32 ILE N N 737 119.167 119.755 -0.588 1
1 1371 . 18 2 2 B 33 33 VAL H H 738 8.293 7.825 0.468 1
1 1372 . 18 2 2 B 33 33 VAL HA H 738 3.901 3.738 0.163 1
1 1380 . 18 2 2 B 33 33 VAL CA C 738 63.805 65.204 -1.399 1
1 1381 . 18 2 2 B 33 33 VAL CB C 738 32.408 31.664 0.744 1
1 1384 . 18 2 2 B 33 33 VAL N N 738 116.157 119.883 -3.726 1
1 1385 . 18 2 2 B 34 34 GLY H H 739 7.868 7.799 0.069 1
1 1386 . 18 2 2 B 34 34 GLY HA2 H 739 3.813 3.823 -0.010 1
1 1387 . 18 2 2 B 34 34 GLY HA3 H 739 4.120 3.845 0.275 1
1 1388 . 18 2 2 B 34 34 GLY CA C 739 44.831 46.507 -1.676 1
1 1389 . 18 2 2 B 34 34 GLY N N 739 108.258 109.962 -1.704 1
1 1390 . 18 2 2 B 35 35 SER H H 740 8.366 8.140 0.226 1
1 1391 . 18 2 2 B 35 35 SER HA H 740 4.389 3.863 0.526 1
1 1394 . 18 2 2 B 35 35 SER CA C 740 58.261 59.341 -1.080 1
1 1395 . 18 2 2 B 35 35 SER CB C 740 62.663 61.573 1.090 1
1 1396 . 18 2 2 B 35 35 SER N N 740 116.408 108.479 7.929 1
1 1397 . 18 2 2 B 36 36 VAL H H 741 7.897 7.502 0.395 1
1 1398 . 18 2 2 B 36 36 VAL HA H 741 4.054 3.882 0.172 1
1 1406 . 18 2 2 B 36 36 VAL CA C 741 61.737 65.659 -3.922 1
1 1407 . 18 2 2 B 36 36 VAL CB C 741 33.084 31.631 1.453 1
1 1410 . 18 2 2 B 36 36 VAL N N 741 122.928 120.306 2.622 1
1 1411 . 18 2 2 B 37 37 GLU H H 742 8.468 8.104 0.364 1
1 1412 . 18 2 2 B 37 37 GLU HA H 742 4.306 4.705 -0.399 1
1 1417 . 18 2 2 B 37 37 GLU CA C 742 55.803 55.890 -0.087 1
1 1418 . 18 2 2 B 37 37 GLU CB C 742 29.029 30.924 -1.895 1
1 1420 . 18 2 2 B 37 37 GLU N N 742 124.057 119.358 4.699 1
1 1421 . 18 2 2 B 38 38 PHE H H 743 8.222 7.772 0.450 1
1 1422 . 18 2 2 B 38 38 PHE HA H 743 4.360 4.093 0.267 1
1 1429 . 18 2 2 B 38 38 PHE CA C 743 59.263 61.837 -2.574 1
1 1430 . 18 2 2 B 38 38 PHE CB C 743 39.524 39.351 0.173 1
1 1433 . 18 2 2 B 38 38 PHE N N 743 122.427 121.728 0.699 1
1 1434 . 18 2 2 B 39 39 ASP H H 744 8.602 8.804 -0.202 1
1 1435 . 18 2 2 B 39 39 ASP HA H 744 4.380 4.385 -0.005 1
1 1438 . 18 2 2 B 39 39 ASP CA C 744 56.495 54.987 1.508 1
1 1439 . 18 2 2 B 39 39 ASP CB C 744 40.119 39.325 0.794 1
1 1440 . 18 2 2 B 39 39 ASP N N 744 120.044 117.470 2.574 1
1 1441 . 18 2 2 B 40 40 SER H H 745 8.143 8.245 -0.102 1
1 1442 . 18 2 2 B 40 40 SER HA H 745 4.328 4.726 -0.398 1
1 1445 . 18 2 2 B 40 40 SER CA C 745 59.724 57.193 2.531 1
1 1446 . 18 2 2 B 40 40 SER CB C 745 62.723 63.746 -1.023 1
1 1447 . 18 2 2 B 40 40 SER N N 745 114.527 115.225 -0.698 1
1 1448 . 18 2 2 B 41 41 MET H H 746 7.930 7.542 0.388 1
1 1449 . 18 2 2 B 41 41 MET HA H 746 4.374 4.149 0.225 1
1 1457 . 18 2 2 B 41 41 MET CA C 746 56.244 58.261 -2.017 1
1 1458 . 18 2 2 B 41 41 MET CB C 746 32.502 31.889 0.613 1
1 1461 . 18 2 2 B 41 41 MET N N 746 120.044 121.056 -1.012 1
1 1462 . 18 2 2 B 42 42 MET H H 747 7.784 8.077 -0.293 1
1 1463 . 18 2 2 B 42 42 MET HA H 747 4.232 4.452 -0.220 1
1 1471 . 18 2 2 B 42 42 MET CA C 747 55.830 57.922 -2.092 1
1 1472 . 18 2 2 B 42 42 MET CB C 747 32.502 32.157 0.345 1
1 1475 . 18 2 2 B 42 42 MET N N 747 117.035 119.305 -2.270 1
1 1476 . 18 2 2 B 43 43 ASN H H 748 7.960 8.329 -0.369 1
1 1477 . 18 2 2 B 43 43 ASN HA H 748 4.831 4.543 0.288 1
1 1482 . 18 2 2 B 43 43 ASN CA C 748 53.146 55.455 -2.309 1
1 1483 . 18 2 2 B 43 43 ASN CB C 748 38.795 39.160 -0.365 1
1 1484 . 18 2 2 B 43 43 ASN N N 748 117.537 119.290 -1.753 1
1 1486 . 18 2 2 B 44 44 THR H H 749 8.039 8.078 -0.039 1
1 1487 . 18 2 2 B 44 44 THR HA H 749 4.432 4.029 0.403 1
1 1492 . 18 2 2 B 44 44 THR CA C 749 61.570 64.504 -2.934 1
1 1493 . 18 2 2 B 44 44 THR CB C 749 69.644 68.832 0.812 1
1 1495 . 18 2 2 B 44 44 THR N N 749 114.026 114.031 -0.005 1
1 6 . 19 1 1 A 2 2 PRO HA H 2 4.396 4.308 0.088 1
1 13 . 19 1 1 A 2 2 PRO CA C 2 65.107 65.692 -0.585 1
1 14 . 19 1 1 A 2 2 PRO CB C 2 31.810 31.462 0.348 1
1 17 . 19 1 1 A 3 3 GLN H H 3 8.509 8.394 0.115 1
1 18 . 19 1 1 A 3 3 GLN HA H 3 3.962 4.160 -0.198 1
1 25 . 19 1 1 A 3 3 GLN CA C 3 59.223 58.133 1.090 1
1 26 . 19 1 1 A 3 3 GLN CB C 3 28.119 28.933 -0.814 1
1 28 . 19 1 1 A 3 3 GLN N N 3 117.064 117.728 -0.664 1
1 30 . 19 1 1 A 4 4 GLU H H 4 7.950 8.278 -0.328 1
1 31 . 19 1 1 A 4 4 GLU HA H 4 4.105 4.045 0.060 1
1 36 . 19 1 1 A 4 4 GLU CA C 4 58.778 59.115 -0.337 1
1 37 . 19 1 1 A 4 4 GLU CB C 4 29.734 29.301 0.433 1
1 39 . 19 1 1 A 4 4 GLU N N 4 121.574 121.363 0.211 1
1 40 . 19 1 1 A 5 5 SER H H 5 8.511 8.319 0.192 1
1 41 . 19 1 1 A 5 5 SER HA H 5 4.238 4.255 -0.017 1
1 44 . 19 1 1 A 5 5 SER CA C 5 61.377 61.094 0.283 1
1 45 . 19 1 1 A 5 5 SER CB C 5 62.351 62.583 -0.232 1
1 46 . 19 1 1 A 5 5 SER N N 5 115.674 114.440 1.234 1
1 47 . 19 1 1 A 6 6 ARG H H 6 8.276 8.012 0.264 1
1 48 . 19 1 1 A 6 6 ARG HA H 6 4.324 4.099 0.225 1
1 55 . 19 1 1 A 6 6 ARG CA C 6 58.988 59.348 -0.360 1
1 56 . 19 1 1 A 6 6 ARG CB C 6 30.426 29.985 0.441 1
1 59 . 19 1 1 A 6 6 ARG N N 6 122.441 121.325 1.116 1
1 60 . 19 1 1 A 7 7 ARG H H 7 8.015 8.037 -0.022 1
1 61 . 19 1 1 A 7 7 ARG HA H 7 3.955 4.270 -0.315 1
1 68 . 19 1 1 A 7 7 ARG CA C 7 59.724 58.987 0.737 1
1 69 . 19 1 1 A 7 7 ARG CB C 7 29.965 29.971 -0.006 1
1 72 . 19 1 1 A 7 7 ARG N N 7 119.491 119.569 -0.078 1
1 73 . 19 1 1 A 8 8 LEU H H 8 8.158 8.546 -0.388 1
1 74 . 19 1 1 A 8 8 LEU HA H 8 4.161 4.157 0.004 1
1 84 . 19 1 1 A 8 8 LEU CA C 8 57.686 57.743 -0.057 1
1 85 . 19 1 1 A 8 8 LEU CB C 8 41.312 41.178 0.134 1
1 89 . 19 1 1 A 8 8 LEU N N 8 120.359 119.743 0.616 1
1 90 . 19 1 1 A 9 9 SER H H 9 8.090 7.952 0.138 1
1 91 . 19 1 1 A 9 9 SER HA H 9 4.292 4.072 0.220 1
1 94 . 19 1 1 A 9 9 SER CA C 9 61.570 62.641 -1.071 1
1 95 . 19 1 1 A 9 9 SER CB C 9 62.493 62.825 -0.332 1
1 96 . 19 1 1 A 9 9 SER N N 9 116.178 114.139 2.039 1
1 97 . 19 1 1 A 10 10 ILE H H 10 8.396 7.817 0.579 1
1 98 . 19 1 1 A 10 10 ILE HA H 10 3.505 3.633 -0.128 1
1 108 . 19 1 1 A 10 10 ILE CA C 10 65.608 64.930 0.678 1
1 109 . 19 1 1 A 10 10 ILE CB C 10 37.706 37.319 0.387 1
1 113 . 19 1 1 A 10 10 ILE N N 10 122.840 121.431 1.409 1
1 114 . 19 1 1 A 11 11 GLN H H 11 8.142 8.320 -0.178 1
1 115 . 19 1 1 A 11 11 GLN HA H 11 4.032 3.999 0.033 1
1 122 . 19 1 1 A 11 11 GLN CA C 11 59.060 59.235 -0.175 1
1 123 . 19 1 1 A 11 11 GLN CB C 11 27.888 28.462 -0.574 1
1 125 . 19 1 1 A 11 11 GLN N N 11 119.144 119.462 -0.318 1
1 127 . 19 1 1 A 12 12 ARG H H 12 8.330 7.758 0.572 1
1 128 . 19 1 1 A 12 12 ARG HA H 12 4.179 4.030 0.149 1
1 135 . 19 1 1 A 12 12 ARG CA C 12 59.494 59.409 0.085 1
1 136 . 19 1 1 A 12 12 ARG CB C 12 29.734 30.088 -0.354 1
1 138 . 19 1 1 A 12 12 ARG N N 12 120.186 119.347 0.839 1
1 139 . 19 1 1 A 13 13 CYS H H 13 8.242 7.649 0.593 1
1 140 . 19 1 1 A 13 13 CYS HA H 13 4.231 4.119 0.112 1
1 143 . 19 1 1 A 13 13 CYS CA C 13 63.289 63.832 -0.543 1
1 144 . 19 1 1 A 13 13 CYS CB C 13 26.505 27.139 -0.634 1
1 145 . 19 1 1 A 13 13 CYS N N 13 121.574 120.024 1.550 1
1 146 . 19 1 1 A 14 14 ILE H H 14 8.493 8.435 0.058 1
1 147 . 19 1 1 A 14 14 ILE HA H 14 3.787 3.590 0.197 1
1 157 . 19 1 1 A 14 14 ILE CA C 14 64.269 65.345 -1.076 1
1 158 . 19 1 1 A 14 14 ILE CB C 14 36.597 37.835 -1.238 1
1 162 . 19 1 1 A 14 14 ILE N N 14 120.012 119.685 0.327 1
1 163 . 19 1 1 A 15 15 GLN H H 15 8.468 8.311 0.157 1
1 164 . 19 1 1 A 15 15 GLN HA H 15 4.107 4.023 0.084 1
1 171 . 19 1 1 A 15 15 GLN CA C 15 58.969 59.068 -0.099 1
1 172 . 19 1 1 A 15 15 GLN CB C 15 27.843 28.607 -0.764 1
1 174 . 19 1 1 A 15 15 GLN N N 15 119.665 118.813 0.852 1
1 176 . 19 1 1 A 16 16 SER H H 16 8.409 8.053 0.356 1
1 177 . 19 1 1 A 16 16 SER HA H 16 4.424 4.105 0.319 1
1 180 . 19 1 1 A 16 16 SER CA C 16 61.726 62.513 -0.787 1
1 181 . 19 1 1 A 16 16 SER CB C 16 62.564 63.089 -0.525 1
1 182 . 19 1 1 A 16 16 SER N N 16 117.062 116.234 0.828 1
1 183 . 19 1 1 A 17 17 LEU H H 17 8.235 8.088 0.147 1
1 184 . 19 1 1 A 17 17 LEU HA H 17 4.103 4.089 0.014 1
1 194 . 19 1 1 A 17 17 LEU CA C 17 58.340 57.838 0.502 1
1 195 . 19 1 1 A 17 17 LEU CB C 17 41.961 41.679 0.282 1
1 199 . 19 1 1 A 17 17 LEU N N 17 125.564 122.853 2.711 1
1 200 . 19 1 1 A 18 18 VAL H H 18 8.603 8.323 0.280 1
1 201 . 19 1 1 A 18 18 VAL HA H 18 3.261 3.564 -0.303 1
1 209 . 19 1 1 A 18 18 VAL CA C 18 67.097 66.497 0.600 1
1 210 . 19 1 1 A 18 18 VAL CB C 18 31.589 31.531 0.058 1
1 213 . 19 1 1 A 18 18 VAL N N 18 119.665 118.872 0.793 1
1 214 . 19 1 1 A 19 19 HIS H H 19 8.083 8.309 -0.226 1
1 215 . 19 1 1 A 19 19 HIS HA H 19 4.231 4.156 0.075 1
1 219 . 19 1 1 A 19 19 HIS CA C 19 59.641 60.111 -0.470 1
1 220 . 19 1 1 A 19 19 HIS CB C 19 26.966 29.698 -2.732 1
1 222 . 19 1 1 A 19 19 HIS N N 19 116.094 119.361 -3.267 1
1 223 . 19 1 1 A 20 20 ALA H H 20 8.796 8.360 0.436 1
1 224 . 19 1 1 A 20 20 ALA HA H 20 4.308 4.001 0.307 1
1 228 . 19 1 1 A 20 20 ALA CA C 20 55.341 55.182 0.159 1
1 229 . 19 1 1 A 20 20 ALA CB C 20 20.026 18.253 1.773 1
1 230 . 19 1 1 A 20 20 ALA N N 20 121.747 120.383 1.364 1
1 231 . 19 1 1 A 21 21 CYS H H 21 7.909 8.023 -0.114 1
1 232 . 19 1 1 A 21 21 CYS HA H 21 4.294 4.244 0.050 1
1 235 . 19 1 1 A 21 21 CYS CA C 21 61.665 62.050 -0.385 1
1 236 . 19 1 1 A 21 21 CYS CB C 21 26.764 26.995 -0.231 1
1 237 . 19 1 1 A 21 21 CYS N N 21 111.875 115.815 -3.940 1
1 238 . 19 1 1 A 22 22 GLN H H 22 7.357 7.460 -0.103 1
1 239 . 19 1 1 A 22 22 GLN HA H 22 4.531 4.316 0.215 1
1 246 . 19 1 1 A 22 22 GLN CA C 22 54.445 56.491 -2.046 1
1 247 . 19 1 1 A 22 22 GLN CB C 22 30.608 30.139 0.469 1
1 249 . 19 1 1 A 22 22 GLN N N 22 116.021 116.477 -0.456 1
1 251 . 19 1 1 A 23 23 CYS H H 23 7.229 7.638 -0.409 1
1 252 . 19 1 1 A 23 23 CYS HA H 23 3.947 4.306 -0.359 1
1 255 . 19 1 1 A 23 23 CYS CA C 23 59.996 59.545 0.451 1
1 256 . 19 1 1 A 23 23 CYS CB C 23 29.000 28.469 0.531 1
1 257 . 19 1 1 A 23 23 CYS N N 23 124.350 118.398 5.952 1
1 258 . 19 1 1 A 24 24 ARG H H 24 8.966 8.749 0.217 1
1 259 . 19 1 1 A 24 24 ARG HA H 24 4.590 4.594 -0.004 1
1 266 . 19 1 1 A 24 24 ARG CA C 24 54.306 55.967 -1.661 1
1 267 . 19 1 1 A 24 24 ARG CB C 24 29.771 32.096 -2.325 1
1 270 . 19 1 1 A 24 24 ARG N N 24 129.729 123.404 6.325 1
1 271 . 19 1 1 A 25 25 ASN H H 25 7.823 7.028 0.795 1
1 272 . 19 1 1 A 25 25 ASN HA H 25 4.853 4.637 0.216 1
1 277 . 19 1 1 A 25 25 ASN CA C 25 51.372 53.692 -2.320 1
1 278 . 19 1 1 A 25 25 ASN CB C 25 38.727 38.925 -0.198 1
1 279 . 19 1 1 A 25 25 ASN N N 25 120.186 118.777 1.409 1
1 281 . 19 1 1 A 26 26 ALA H H 26 9.248 8.831 0.417 1
1 282 . 19 1 1 A 26 26 ALA HA H 26 4.091 4.049 0.042 1
1 286 . 19 1 1 A 26 26 ALA CA C 26 54.027 54.789 -0.762 1
1 287 . 19 1 1 A 26 26 ALA CB C 26 18.209 18.551 -0.342 1
1 288 . 19 1 1 A 26 26 ALA N N 26 130.423 126.460 3.963 1
1 289 . 19 1 1 A 27 27 ASN H H 27 8.085 7.997 0.088 1
1 290 . 19 1 1 A 27 27 ASN HA H 27 4.834 4.993 -0.159 1
1 295 . 19 1 1 A 27 27 ASN CA C 27 51.625 52.131 -0.506 1
1 296 . 19 1 1 A 27 27 ASN CB C 27 38.577 39.373 -0.796 1
1 297 . 19 1 1 A 27 27 ASN N N 27 113.766 115.442 -1.676 1
1 299 . 19 1 1 A 28 28 CYS H H 28 7.209 7.775 -0.566 1
1 300 . 19 1 1 A 28 28 CYS HA H 28 4.053 4.420 -0.367 1
1 303 . 19 1 1 A 28 28 CYS CA C 28 61.312 59.613 1.699 1
1 304 . 19 1 1 A 28 28 CYS CB C 28 29.674 29.167 0.507 1
1 305 . 19 1 1 A 28 28 CYS N N 28 123.309 121.096 2.213 1
1 306 . 19 1 1 A 29 29 SER H H 29 8.922 8.577 0.345 1
1 307 . 19 1 1 A 29 29 SER HA H 29 4.609 4.207 0.402 1
1 310 . 19 1 1 A 29 29 SER CA C 29 57.450 60.833 -3.383 1
1 311 . 19 1 1 A 29 29 SER CB C 29 63.604 63.026 0.578 1
1 312 . 19 1 1 A 29 29 SER N N 29 124.870 119.038 5.832 1
1 313 . 19 1 1 A 30 30 LEU H H 30 8.513 7.579 0.934 1
1 314 . 19 1 1 A 30 30 LEU HA H 30 4.497 4.395 0.102 1
1 324 . 19 1 1 A 30 30 LEU CA C 30 53.980 52.799 1.181 1
1 325 . 19 1 1 A 30 30 LEU CB C 30 40.643 41.603 -0.960 1
1 329 . 19 1 1 A 30 30 LEU N N 30 128.341 124.734 3.607 1
1 330 . 19 1 1 A 31 31 PRO HA H 31 4.329 4.288 0.041 1
1 337 . 19 1 1 A 31 31 PRO CA C 31 65.026 64.761 0.265 1
1 338 . 19 1 1 A 31 31 PRO CB C 31 31.580 32.216 -0.636 1
1 341 . 19 1 1 A 32 32 SER H H 32 8.537 8.128 0.409 1
1 342 . 19 1 1 A 32 32 SER HA H 32 4.287 4.207 0.080 1
1 345 . 19 1 1 A 32 32 SER CA C 32 60.277 61.328 -1.051 1
1 346 . 19 1 1 A 32 32 SER CB C 32 62.277 62.487 -0.210 1
1 347 . 19 1 1 A 32 32 SER N N 32 112.551 111.821 0.730 1
1 348 . 19 1 1 A 33 33 CYS H H 33 7.523 8.101 -0.578 1
1 349 . 19 1 1 A 33 33 CYS HA H 33 4.170 3.924 0.246 1
1 352 . 19 1 1 A 33 33 CYS CA C 33 63.408 62.907 0.501 1
1 353 . 19 1 1 A 33 33 CYS CB C 33 29.503 26.593 2.910 1
1 354 . 19 1 1 A 33 33 CYS N N 33 126.085 120.619 5.466 1
1 355 . 19 1 1 A 34 34 GLN H H 34 8.102 7.865 0.237 1
1 356 . 19 1 1 A 34 34 GLN HA H 34 3.963 3.984 -0.021 1
1 359 . 19 1 1 A 34 34 GLN N N 34 115.711 119.352 -3.641 1
1 361 . 19 1 1 A 35 35 LYS H H 35 8.093 7.685 0.408 1
1 362 . 19 1 1 A 35 35 LYS HA H 35 3.994 4.161 -0.167 1
1 371 . 19 1 1 A 35 35 LYS CA C 35 59.502 59.178 0.324 1
1 372 . 19 1 1 A 35 35 LYS CB C 35 32.273 32.245 0.028 1
1 376 . 19 1 1 A 35 35 LYS N N 35 117.930 119.972 -2.042 1
1 377 . 19 1 1 A 36 36 MET H H 36 8.237 8.555 -0.318 1
1 378 . 19 1 1 A 36 36 MET HA H 36 4.488 4.064 0.424 1
1 386 . 19 1 1 A 36 36 MET CA C 36 56.725 59.366 -2.641 1
1 387 . 19 1 1 A 36 36 MET CB C 36 30.954 32.755 -1.801 1
1 390 . 19 1 1 A 36 36 MET N N 36 117.062 118.610 -1.548 1
1 391 . 19 1 1 A 37 37 LYS H H 37 9.107 8.117 0.990 1
1 392 . 19 1 1 A 37 37 LYS HA H 37 3.900 4.006 -0.106 1
1 401 . 19 1 1 A 37 37 LYS CA C 37 61.097 59.962 1.135 1
1 402 . 19 1 1 A 37 37 LYS CB C 37 32.947 32.208 0.739 1
1 406 . 19 1 1 A 37 37 LYS N N 37 120.186 118.740 1.446 1
1 407 . 19 1 1 A 38 38 ARG H H 38 7.781 7.893 -0.112 1
1 408 . 19 1 1 A 38 38 ARG HA H 38 4.127 4.110 0.017 1
1 413 . 19 1 1 A 38 38 ARG CA C 38 59.263 59.112 0.151 1
1 414 . 19 1 1 A 38 38 ARG CB C 38 29.965 29.849 0.116 1
1 416 . 19 1 1 A 38 38 ARG N N 38 118.971 119.460 -0.489 1
1 417 . 19 1 1 A 39 39 VAL H H 39 8.289 7.822 0.467 1
1 418 . 19 1 1 A 39 39 VAL HA H 39 3.539 3.675 -0.136 1
1 426 . 19 1 1 A 39 39 VAL CA C 39 66.989 66.316 0.673 1
1 427 . 19 1 1 A 39 39 VAL CB C 39 31.451 31.820 -0.369 1
1 430 . 19 1 1 A 39 39 VAL N N 39 123.829 120.327 3.502 1
1 431 . 19 1 1 A 40 40 VAL H H 40 8.318 8.151 0.167 1
1 432 . 19 1 1 A 40 40 VAL HA H 40 3.528 3.513 0.015 1
1 440 . 19 1 1 A 40 40 VAL CA C 40 67.050 66.991 0.059 1
1 441 . 19 1 1 A 40 40 VAL CB C 40 31.608 31.597 0.011 1
1 444 . 19 1 1 A 40 40 VAL N N 40 119.665 120.092 -0.427 1
1 445 . 19 1 1 A 41 41 GLN H H 41 8.263 8.420 -0.157 1
1 446 . 19 1 1 A 41 41 GLN HA H 41 3.974 3.962 0.012 1
1 453 . 19 1 1 A 41 41 GLN CA C 41 58.571 59.314 -0.743 1
1 454 . 19 1 1 A 41 41 GLN CB C 41 28.018 28.250 -0.232 1
1 456 . 19 1 1 A 41 41 GLN N N 41 118.450 118.146 0.304 1
1 458 . 19 1 1 A 42 42 HIS H H 42 8.309 8.071 0.238 1
1 459 . 19 1 1 A 42 42 HIS HA H 42 4.215 4.312 -0.097 1
1 463 . 19 1 1 A 42 42 HIS CA C 42 59.402 59.447 -0.045 1
1 464 . 19 1 1 A 42 42 HIS CB C 42 26.966 30.467 -3.501 1
1 466 . 19 1 1 A 42 42 HIS N N 42 118.971 119.968 -0.997 1
1 467 . 19 1 1 A 43 43 THR H H 43 8.056 8.216 -0.160 1
1 468 . 19 1 1 A 43 43 THR HA H 43 3.929 3.777 0.152 1
1 474 . 19 1 1 A 43 43 THR CA C 43 66.101 67.230 -1.129 1
1 475 . 19 1 1 A 43 43 THR CB C 43 69.107 68.318 0.789 1
1 477 . 19 1 1 A 43 43 THR N N 43 114.320 113.425 0.895 1
1 478 . 19 1 1 A 44 44 LYS H H 44 7.531 7.954 -0.423 1
1 479 . 19 1 1 A 44 44 LYS HA H 44 4.085 4.121 -0.036 1
1 488 . 19 1 1 A 44 44 LYS CA C 44 58.682 59.208 -0.526 1
1 489 . 19 1 1 A 44 44 LYS CB C 44 32.024 32.505 -0.481 1
1 493 . 19 1 1 A 44 44 LYS N N 44 120.012 119.585 0.427 1
1 494 . 19 1 1 A 45 45 GLY H H 45 7.143 7.702 -0.559 1
1 495 . 19 1 1 A 45 45 GLY HA2 H 45 3.625 4.011 -0.386 1
1 496 . 19 1 1 A 45 45 GLY HA3 H 45 4.387 4.030 0.357 1
1 497 . 19 1 1 A 45 45 GLY CA C 45 44.289 45.267 -0.978 1
1 498 . 19 1 1 A 45 45 GLY N N 45 103.528 106.821 -3.293 1
1 499 . 19 1 1 A 46 46 CYS H H 46 6.988 7.305 -0.317 1
1 500 . 19 1 1 A 46 46 CYS HA H 46 3.955 4.364 -0.409 1
1 503 . 19 1 1 A 46 46 CYS CA C 46 60.654 59.271 1.383 1
1 504 . 19 1 1 A 46 46 CYS CB C 46 29.793 28.005 1.788 1
1 505 . 19 1 1 A 46 46 CYS N N 46 123.656 120.047 3.609 1
1 506 . 19 1 1 A 47 47 LYS H H 47 9.060 8.812 0.248 1
1 507 . 19 1 1 A 47 47 LYS HA H 47 4.489 4.526 -0.037 1
1 516 . 19 1 1 A 47 47 LYS CA C 47 56.127 56.207 -0.080 1
1 517 . 19 1 1 A 47 47 LYS CB C 47 32.393 32.664 -0.271 1
1 521 . 19 1 1 A 47 47 LYS N N 47 127.820 126.510 1.310 1
1 522 . 19 1 1 A 48 48 ARG H H 48 8.537 7.586 0.951 1
1 523 . 19 1 1 A 48 48 ARG HA H 48 4.330 4.237 0.093 1
1 530 . 19 1 1 A 48 48 ARG CA C 48 57.648 58.586 -0.938 1
1 531 . 19 1 1 A 48 48 ARG CB C 48 31.810 30.810 1.000 1
1 534 . 19 1 1 A 48 48 ARG N N 48 122.615 118.047 4.568 1
1 535 . 19 1 1 A 49 49 LYS H H 49 8.522 7.817 0.705 1
1 536 . 19 1 1 A 49 49 LYS HA H 49 4.554 4.245 0.309 1
1 545 . 19 1 1 A 49 49 LYS CA C 49 57.417 56.998 0.419 1
1 546 . 19 1 1 A 49 49 LYS CB C 49 31.543 31.995 -0.452 1
1 550 . 19 1 1 A 49 49 LYS N N 49 117.583 119.499 -1.916 1
1 551 . 19 1 1 A 50 50 THR H H 50 7.992 8.874 -0.882 1
1 552 . 19 1 1 A 50 50 THR HA H 50 4.127 3.933 0.194 1
1 557 . 19 1 1 A 50 50 THR CA C 50 63.985 65.683 -1.698 1
1 558 . 19 1 1 A 50 50 THR CB C 50 68.157 68.160 -0.003 1
1 560 . 19 1 1 A 50 50 THR N N 50 113.245 112.974 0.271 1
1 561 . 19 1 1 A 51 51 ASN H H 51 8.888 8.339 0.549 1
1 562 . 19 1 1 A 51 51 ASN HA H 51 4.665 4.622 0.043 1
1 567 . 19 1 1 A 51 51 ASN CA C 51 54.159 55.506 -1.347 1
1 568 . 19 1 1 A 51 51 ASN CB C 51 37.857 38.560 -0.703 1
1 570 . 19 1 1 A 52 52 GLY H H 52 7.972 7.817 0.155 1
1 571 . 19 1 1 A 52 52 GLY HA2 H 52 3.893 4.124 -0.231 1
1 572 . 19 1 1 A 52 52 GLY HA3 H 52 4.101 4.127 -0.026 1
1 573 . 19 1 1 A 52 52 GLY CA C 52 45.368 45.483 -0.115 1
1 574 . 19 1 1 A 52 52 GLY N N 52 106.651 106.967 -0.316 1
1 575 . 19 1 1 A 53 53 GLY H H 53 7.765 8.060 -0.295 1
1 576 . 19 1 1 A 53 53 GLY HA2 H 53 3.837 4.064 -0.227 1
1 577 . 19 1 1 A 53 53 GLY HA3 H 53 4.079 4.065 0.014 1
1 578 . 19 1 1 A 53 53 GLY CA C 53 45.227 44.962 0.265 1
1 579 . 19 1 1 A 53 53 GLY N N 53 107.519 106.629 0.890 1
1 580 . 19 1 1 A 54 54 CYS H H 54 8.099 7.644 0.455 1
1 581 . 19 1 1 A 54 54 CYS HA H 54 4.720 4.495 0.225 1
1 584 . 19 1 1 A 54 54 CYS CA C 54 55.572 57.488 -1.916 1
1 585 . 19 1 1 A 54 54 CYS CB C 54 30.216 28.666 1.550 1
1 586 . 19 1 1 A 54 54 CYS N N 54 122.615 119.803 2.812 1
1 587 . 19 1 1 A 55 55 PRO HA H 55 4.237 4.473 -0.236 1
1 594 . 19 1 1 A 55 55 PRO CA C 55 64.757 64.107 0.650 1
1 595 . 19 1 1 A 55 55 PRO CB C 55 32.311 32.000 0.311 1
1 598 . 19 1 1 A 56 56 VAL H H 56 7.645 7.183 0.462 1
1 599 . 19 1 1 A 56 56 VAL HA H 56 3.384 3.709 -0.325 1
1 607 . 19 1 1 A 56 56 VAL CA C 56 66.184 65.792 0.392 1
1 608 . 19 1 1 A 56 56 VAL CB C 56 32.502 31.500 1.002 1
1 611 . 19 1 1 A 56 56 VAL N N 56 121.227 116.752 4.475 1
1 612 . 19 1 1 A 57 57 CYS H H 57 8.565 7.969 0.596 1
1 613 . 19 1 1 A 57 57 CYS HA H 57 4.034 4.065 -0.031 1
1 616 . 19 1 1 A 57 57 CYS CA C 57 65.746 63.807 1.939 1
1 617 . 19 1 1 A 57 57 CYS CB C 57 29.273 27.194 2.079 1
1 618 . 19 1 1 A 57 57 CYS N N 57 122.615 117.853 4.762 1
1 619 . 19 1 1 A 58 58 LYS H H 58 7.956 7.751 0.205 1
1 620 . 19 1 1 A 58 58 LYS HA H 58 3.874 3.952 -0.078 1
1 629 . 19 1 1 A 58 58 LYS CA C 58 59.955 59.256 0.699 1
1 630 . 19 1 1 A 58 58 LYS CB C 58 32.272 32.023 0.249 1
1 634 . 19 1 1 A 58 58 LYS N N 58 116.889 119.766 -2.877 1
1 635 . 19 1 1 A 59 59 GLN H H 59 7.359 7.764 -0.405 1
1 636 . 19 1 1 A 59 59 GLN HA H 59 3.789 4.042 -0.253 1
1 643 . 19 1 1 A 59 59 GLN CA C 59 60.647 58.688 1.959 1
1 644 . 19 1 1 A 59 59 GLN CB C 59 27.196 28.309 -1.113 1
1 646 . 19 1 1 A 59 59 GLN N N 59 116.889 119.524 -2.635 1
1 648 . 19 1 1 A 60 60 LEU H H 60 8.303 7.731 0.572 1
1 649 . 19 1 1 A 60 60 LEU HA H 60 4.093 3.985 0.108 1
1 659 . 19 1 1 A 60 60 LEU CA C 60 58.110 57.934 0.176 1
1 660 . 19 1 1 A 60 60 LEU CB C 60 40.807 41.911 -1.104 1
1 664 . 19 1 1 A 60 60 LEU N N 60 118.103 119.432 -1.329 1
1 665 . 19 1 1 A 61 61 ILE H H 61 8.804 7.883 0.921 1
1 666 . 19 1 1 A 61 61 ILE HA H 61 3.801 3.450 0.351 1
1 676 . 19 1 1 A 61 61 ILE CA C 61 63.416 65.670 -2.254 1
1 677 . 19 1 1 A 61 61 ILE CB C 61 36.886 37.714 -0.828 1
1 681 . 19 1 1 A 61 61 ILE N N 61 118.624 118.438 0.186 1
1 682 . 19 1 1 A 62 62 ALA H H 62 7.796 7.758 0.038 1
1 683 . 19 1 1 A 62 62 ALA HA H 62 4.058 4.121 -0.063 1
1 687 . 19 1 1 A 62 62 ALA CA C 62 56.030 55.341 0.689 1
1 688 . 19 1 1 A 62 62 ALA CB C 62 18.068 18.387 -0.319 1
1 689 . 19 1 1 A 62 62 ALA N N 62 124.003 122.935 1.068 1
1 690 . 19 1 1 A 63 63 LEU H H 63 8.011 7.806 0.205 1
1 691 . 19 1 1 A 63 63 LEU HA H 63 4.077 4.105 -0.028 1
1 701 . 19 1 1 A 63 63 LEU CA C 63 58.110 57.863 0.247 1
1 702 . 19 1 1 A 63 63 LEU CB C 63 42.116 41.372 0.744 1
1 706 . 19 1 1 A 63 63 LEU N N 63 117.583 119.315 -1.732 1
1 707 . 19 1 1 A 64 64 CYS H H 64 8.818 8.695 0.123 1
1 708 . 19 1 1 A 64 64 CYS HA H 64 4.053 4.245 -0.192 1
1 711 . 19 1 1 A 64 64 CYS CA C 64 64.800 63.052 1.748 1
1 712 . 19 1 1 A 64 64 CYS CB C 64 26.504 26.759 -0.255 1
1 713 . 19 1 1 A 64 64 CYS N N 64 118.277 116.901 1.376 1
1 714 . 19 1 1 A 65 65 CYS H H 65 8.793 8.637 0.156 1
1 715 . 19 1 1 A 65 65 CYS HA H 65 4.258 4.129 0.129 1
1 718 . 19 1 1 A 65 65 CYS CA C 65 63.646 64.027 -0.381 1
1 719 . 19 1 1 A 65 65 CYS CB C 65 26.966 26.799 0.167 1
1 720 . 19 1 1 A 65 65 CYS N N 65 118.971 119.279 -0.308 1
1 721 . 19 1 1 A 66 66 TYR H H 66 8.369 8.720 -0.351 1
1 722 . 19 1 1 A 66 66 TYR HA H 66 4.034 4.193 -0.159 1
1 729 . 19 1 1 A 66 66 TYR CA C 66 60.886 61.877 -0.991 1
1 730 . 19 1 1 A 66 66 TYR CB C 66 37.808 38.547 -0.739 1
1 733 . 19 1 1 A 66 66 TYR N N 66 121.574 122.616 -1.042 1
1 734 . 19 1 1 A 67 67 HIS H H 67 8.633 7.669 0.964 1
1 735 . 19 1 1 A 67 67 HIS HA H 67 4.318 4.283 0.035 1
1 740 . 19 1 1 A 67 67 HIS CA C 67 58.998 59.959 -0.961 1
1 741 . 19 1 1 A 67 67 HIS CB C 67 27.409 30.260 -2.851 1
1 744 . 19 1 1 A 67 67 HIS N N 67 117.409 118.953 -1.544 1
1 745 . 19 1 1 A 68 68 ALA H H 68 8.725 8.917 -0.192 1
1 746 . 19 1 1 A 68 68 ALA HA H 68 4.019 3.946 0.073 1
1 750 . 19 1 1 A 68 68 ALA CA C 68 54.690 55.206 -0.516 1
1 751 . 19 1 1 A 68 68 ALA CB C 68 19.964 18.484 1.480 1
1 752 . 19 1 1 A 68 68 ALA N N 68 122.094 121.024 1.070 1
1 753 . 19 1 1 A 69 69 LYS H H 69 7.362 7.883 -0.521 1
1 754 . 19 1 1 A 69 69 LYS HA H 69 3.736 3.953 -0.217 1
1 763 . 19 1 1 A 69 69 LYS CA C 69 58.137 59.078 -0.941 1
1 764 . 19 1 1 A 69 69 LYS CB C 69 32.224 32.080 0.144 1
1 768 . 19 1 1 A 69 69 LYS N N 69 114.807 117.883 -3.076 1
1 769 . 19 1 1 A 70 70 HIS H H 70 7.011 7.446 -0.435 1
1 770 . 19 1 1 A 70 70 HIS HA H 70 4.697 4.362 0.335 1
1 774 . 19 1 1 A 70 70 HIS CA C 70 54.835 57.789 -2.954 1
1 775 . 19 1 1 A 70 70 HIS CB C 70 30.477 30.797 -0.320 1
1 777 . 19 1 1 A 70 70 HIS N N 70 112.898 113.442 -0.544 1
1 778 . 19 1 1 A 71 71 CYS H H 71 7.012 7.512 -0.500 1
1 779 . 19 1 1 A 71 71 CYS HA H 71 4.032 4.170 -0.138 1
1 782 . 19 1 1 A 71 71 CYS CA C 71 59.948 59.972 -0.024 1
1 783 . 19 1 1 A 71 71 CYS CB C 71 29.752 27.816 1.936 1
1 784 . 19 1 1 A 71 71 CYS N N 71 123.829 117.136 6.693 1
1 785 . 19 1 1 A 72 72 GLN H H 72 9.181 8.865 0.316 1
1 786 . 19 1 1 A 72 72 GLN HA H 72 4.674 4.580 0.094 1
1 793 . 19 1 1 A 72 72 GLN CA C 72 54.224 55.491 -1.267 1
1 794 . 19 1 1 A 72 72 GLN CB C 72 29.049 30.401 -1.352 1
1 796 . 19 1 1 A 72 72 GLN N N 72 128.341 122.715 5.626 1
1 798 . 19 1 1 A 73 73 GLU H H 73 8.396 7.771 0.625 1
1 799 . 19 1 1 A 73 73 GLU HA H 73 4.389 4.397 -0.008 1
1 804 . 19 1 1 A 73 73 GLU CA C 73 55.341 56.613 -1.272 1
1 805 . 19 1 1 A 73 73 GLU CB C 73 30.239 30.924 -0.685 1
1 807 . 19 1 1 A 73 73 GLU N N 73 123.309 122.517 0.792 1
1 808 . 19 1 1 A 74 74 ASN H H 74 8.921 8.538 0.383 1
1 809 . 19 1 1 A 74 74 ASN HA H 74 4.538 5.026 -0.488 1
1 814 . 19 1 1 A 74 74 ASN CA C 74 54.666 52.707 1.959 1
1 815 . 19 1 1 A 74 74 ASN CB C 74 38.301 38.998 -0.697 1
1 816 . 19 1 1 A 74 74 ASN N N 74 124.870 121.457 3.413 1
1 818 . 19 1 1 A 75 75 LYS H H 75 8.847 7.847 1.000 1
1 819 . 19 1 1 A 75 75 LYS HA H 75 4.442 4.654 -0.212 1
1 828 . 19 1 1 A 75 75 LYS CA C 75 54.327 55.347 -1.020 1
1 829 . 19 1 1 A 75 75 LYS CB C 75 30.837 33.226 -2.389 1
1 833 . 19 1 1 A 75 75 LYS N N 75 121.574 116.434 5.140 1
1 834 . 19 1 1 A 76 76 CYS H H 76 7.191 7.372 -0.181 1
1 835 . 19 1 1 A 76 76 CYS HA H 76 4.389 4.433 -0.044 1
1 838 . 19 1 1 A 76 76 CYS CA C 76 57.270 57.748 -0.478 1
1 839 . 19 1 1 A 76 76 CYS CB C 76 30.613 28.355 2.258 1
1 840 . 19 1 1 A 76 76 CYS N N 76 124.350 121.580 2.770 1
1 841 . 19 1 1 A 77 77 PRO HA H 77 4.673 4.494 0.179 1
1 848 . 19 1 1 A 77 77 PRO CA C 77 62.878 64.339 -1.461 1
1 849 . 19 1 1 A 77 77 PRO CB C 77 31.950 31.952 -0.002 1
1 852 . 19 1 1 A 78 78 VAL H H 78 8.974 7.760 1.214 1
1 853 . 19 1 1 A 78 78 VAL HA H 78 4.187 4.185 0.002 1
1 861 . 19 1 1 A 78 78 VAL CA C 78 61.637 61.220 0.417 1
1 862 . 19 1 1 A 78 78 VAL CB C 78 31.654 32.330 -0.676 1
1 865 . 19 1 1 A 78 78 VAL N N 78 128.688 119.557 9.131 1
1 866 . 19 1 1 A 79 79 PRO HA H 79 3.938 4.287 -0.349 1
1 873 . 19 1 1 A 79 79 PRO CA C 79 63.962 65.044 -1.082 1
1 874 . 19 1 1 A 79 79 PRO CB C 79 30.887 31.943 -1.056 1
1 877 . 19 1 1 A 80 80 PHE HA H 80 4.350 4.428 -0.078 1
1 884 . 19 1 1 A 80 80 PHE CA C 80 59.032 59.707 -0.675 1
1 885 . 19 1 1 A 80 80 PHE CB C 80 37.686 39.938 -2.252 1
1 888 . 19 1 1 A 81 81 CYS H H 81 7.686 8.356 -0.670 1
1 889 . 19 1 1 A 81 81 CYS HA H 81 4.001 4.129 -0.128 1
1 892 . 19 1 1 A 81 81 CYS CA C 81 64.779 62.560 2.219 1
1 893 . 19 1 1 A 81 81 CYS CB C 81 29.524 26.698 2.826 1
1 894 . 19 1 1 A 81 81 CYS N N 81 124.176 118.773 5.403 1
1 895 . 19 1 1 A 82 82 LEU H H 82 8.267 8.366 -0.099 1
1 896 . 19 1 1 A 82 82 LEU HA H 82 4.010 3.954 0.056 1
1 906 . 19 1 1 A 82 82 LEU CA C 82 58.340 58.144 0.196 1
1 907 . 19 1 1 A 82 82 LEU CB C 82 40.862 41.614 -0.752 1
1 911 . 19 1 1 A 82 82 LEU N N 82 114.980 121.268 -6.288 1
1 912 . 19 1 1 A 83 83 ASN H H 83 7.917 8.242 -0.325 1
1 913 . 19 1 1 A 83 83 ASN HA H 83 4.490 4.622 -0.132 1
1 918 . 19 1 1 A 83 83 ASN CA C 83 56.061 56.520 -0.459 1
1 919 . 19 1 1 A 83 83 ASN CB C 83 38.494 38.527 -0.033 1
1 920 . 19 1 1 A 83 83 ASN N N 83 116.542 116.950 -0.408 1
1 922 . 19 1 1 A 84 84 ILE H H 84 8.788 8.248 0.540 1
1 923 . 19 1 1 A 84 84 ILE HA H 84 3.734 3.870 -0.136 1
1 933 . 19 1 1 A 84 84 ILE CA C 84 65.142 64.844 0.298 1
1 934 . 19 1 1 A 84 84 ILE CB C 84 38.039 37.895 0.144 1
1 938 . 19 1 1 A 84 84 ILE N N 84 121.747 120.593 1.154 1
1 939 . 19 1 1 A 85 85 LYS H H 85 8.954 8.563 0.391 1
1 940 . 19 1 1 A 85 85 LYS HA H 85 3.839 4.151 -0.312 1
1 949 . 19 1 1 A 85 85 LYS CA C 85 60.936 58.828 2.108 1
1 950 . 19 1 1 A 85 85 LYS CB C 85 32.041 32.063 -0.022 1
1 954 . 19 1 1 A 85 85 LYS N N 85 119.665 120.461 -0.796 1
1 955 . 19 1 1 A 86 86 HIS H H 86 8.043 7.808 0.235 1
1 956 . 19 1 1 A 86 86 HIS HA H 86 4.411 4.369 0.042 1
1 960 . 19 1 1 A 86 86 HIS CA C 86 58.746 59.913 -1.167 1
1 961 . 19 1 1 A 86 86 HIS CB C 86 30.067 29.767 0.300 1
1 963 . 19 1 1 A 86 86 HIS N N 86 116.542 118.961 -2.419 1
1 964 . 19 1 1 A 87 87 LYS H H 87 7.822 8.292 -0.470 1
1 965 . 19 1 1 A 87 87 LYS HA H 87 4.158 4.067 0.091 1
1 968 . 19 1 1 A 87 87 LYS CA C 87 57.879 58.927 -1.048 1
1 969 . 19 1 1 A 87 87 LYS N N 87 119.318 121.550 -2.232 1
1 970 . 19 1 1 A 88 88 LEU H H 88 8.405 8.462 -0.057 1
1 971 . 19 1 1 A 88 88 LEU HA H 88 4.194 3.992 0.202 1
1 981 . 19 1 1 A 88 88 LEU CA C 88 56.289 57.913 -1.624 1
1 982 . 19 1 1 A 88 88 LEU CB C 88 41.692 41.156 0.536 1
1 986 . 19 1 1 A 88 88 LEU N N 88 119.144 119.591 -0.447 1
1 987 . 19 1 1 A 89 89 ARG H H 89 7.826 8.577 -0.751 1
1 988 . 19 1 1 A 89 89 ARG HA H 89 4.271 4.047 0.224 1
1 995 . 19 1 1 A 89 89 ARG CA C 89 56.666 58.742 -2.076 1
1 996 . 19 1 1 A 89 89 ARG CB C 89 29.965 29.701 0.264 1
1 999 . 19 1 1 A 89 89 ARG N N 89 118.450 117.703 0.747 1
1 1000 . 19 1 1 A 90 90 GLN H H 90 7.935 7.644 0.291 1
1 1001 . 19 1 1 A 90 90 GLN HA H 90 4.270 4.094 0.176 1
1 1008 . 19 1 1 A 90 90 GLN CA C 90 55.840 58.170 -2.330 1
1 1009 . 19 1 1 A 90 90 GLN CB C 90 28.989 28.569 0.420 1
1 1011 . 19 1 1 A 90 90 GLN N N 90 119.318 118.409 0.909 1
1 1013 . 19 1 1 A 91 91 GLN H H 91 8.141 7.838 0.303 1
1 1014 . 19 1 1 A 91 91 GLN HA H 91 4.352 4.119 0.233 1
1 1021 . 19 1 1 A 91 91 GLN CA C 91 55.581 57.605 -2.024 1
1 1022 . 19 1 1 A 91 91 GLN CB C 91 29.284 28.632 0.652 1
1 1024 . 19 1 1 A 91 91 GLN N N 91 120.706 116.662 4.044 1
1 1043 . 19 2 2 B 2 2 SER CB C 707 63.646 62.072 1.574 1
1 1044 . 19 2 2 B 3 3 HIS HA H 708 4.663 4.744 -0.081 1
1 1047 . 19 2 2 B 3 3 HIS CA C 708 56.033 57.007 -0.974 1
1 1048 . 19 2 2 B 3 3 HIS CB C 708 30.146 30.477 -0.331 1
1 1053 . 19 2 2 B 5 5 SER H H 710 8.437 7.581 0.856 1
1 1054 . 19 2 2 B 5 5 SER HA H 710 4.429 4.712 -0.283 1
1 1057 . 19 2 2 B 5 5 SER CA C 710 58.340 56.969 1.371 1
1 1058 . 19 2 2 B 5 5 SER CB C 710 63.416 65.864 -2.448 1
1 1059 . 19 2 2 B 5 5 SER N N 710 117.160 112.160 5.000 1
1 1060 . 19 2 2 B 6 6 GLU H H 711 8.458 8.542 -0.084 1
1 1061 . 19 2 2 B 6 6 GLU HA H 711 4.311 4.443 -0.132 1
1 1066 . 19 2 2 B 6 6 GLU CA C 711 56.033 57.268 -1.235 1
1 1067 . 19 2 2 B 6 6 GLU CB C 711 30.223 29.887 0.336 1
1 1069 . 19 2 2 B 6 6 GLU N N 711 123.053 118.224 4.829 1
1 1070 . 19 2 2 B 7 7 VAL H H 712 8.150 7.569 0.581 1
1 1071 . 19 2 2 B 7 7 VAL HA H 712 4.050 4.726 -0.676 1
1 1079 . 19 2 2 B 7 7 VAL CA C 712 61.801 60.987 0.814 1
1 1080 . 19 2 2 B 7 7 VAL CB C 712 32.041 34.743 -2.702 1
1 1083 . 19 2 2 B 7 7 VAL N N 712 121.173 119.990 1.183 1
1 1084 . 19 2 2 B 8 8 HIS H H 713 8.495 8.516 -0.021 1
1 1085 . 19 2 2 B 8 8 HIS HA H 713 4.914 4.744 0.170 1
1 1089 . 19 2 2 B 8 8 HIS CA C 713 53.945 53.686 0.259 1
1 1090 . 19 2 2 B 8 8 HIS CB C 713 30.218 30.056 0.162 1
1 1092 . 19 2 2 B 8 8 HIS N N 713 125.310 121.985 3.325 1
1 1093 . 19 2 2 B 9 9 PRO HA H 714 4.430 4.528 -0.098 1
1 1100 . 19 2 2 B 9 9 PRO CA C 714 63.409 62.426 0.983 1
1 1101 . 19 2 2 B 9 9 PRO CB C 714 32.018 33.484 -1.466 1
1 1104 . 19 2 2 B 10 10 SER H H 715 8.889 8.669 0.220 1
1 1105 . 19 2 2 B 10 10 SER HA H 715 4.437 4.501 -0.064 1
1 1108 . 19 2 2 B 10 10 SER CA C 715 58.571 59.014 -0.443 1
1 1109 . 19 2 2 B 10 10 SER CB C 715 63.213 62.949 0.264 1
1 1110 . 19 2 2 B 10 10 SER N N 715 116.533 116.500 0.033 1
1 1111 . 19 2 2 B 11 11 ARG H H 716 8.442 7.677 0.765 1
1 1112 . 19 2 2 B 11 11 ARG HA H 716 4.388 4.520 -0.132 1
1 1119 . 19 2 2 B 11 11 ARG CA C 716 55.882 55.276 0.606 1
1 1120 . 19 2 2 B 11 11 ARG CB C 716 30.395 31.465 -1.070 1
1 1123 . 19 2 2 B 11 11 ARG N N 716 122.803 119.623 3.180 1
1 1124 . 19 2 2 B 12 12 LEU H H 717 8.133 7.487 0.646 1
1 1125 . 19 2 2 B 12 12 LEU HA H 717 4.356 4.443 -0.087 1
1 1135 . 19 2 2 B 12 12 LEU CA C 717 54.880 53.721 1.159 1
1 1136 . 19 2 2 B 12 12 LEU CB C 717 42.081 45.025 -2.944 1
1 1140 . 19 2 2 B 12 12 LEU N N 717 122.552 120.269 2.283 1
1 1141 . 19 2 2 B 13 13 GLN H H 718 8.440 8.723 -0.283 1
1 1142 . 19 2 2 B 13 13 GLN HA H 718 4.454 3.918 0.536 1
1 1149 . 19 2 2 B 13 13 GLN CA C 718 55.341 56.985 -1.644 1
1 1150 . 19 2 2 B 13 13 GLN CB C 718 29.285 26.050 3.235 1
1 1152 . 19 2 2 B 13 13 GLN N N 718 121.298 123.898 -2.600 1
1 1154 . 19 2 2 B 14 14 THR H H 719 8.257 8.111 0.146 1
1 1155 . 19 2 2 B 14 14 THR HA H 719 4.438 4.045 0.393 1
1 1160 . 19 2 2 B 14 14 THR CA C 719 61.339 65.504 -4.165 1
1 1161 . 19 2 2 B 14 14 THR CB C 719 69.456 68.025 1.431 1
1 1163 . 19 2 2 B 14 14 THR N N 719 115.154 112.547 2.607 1
1 1164 . 19 2 2 B 15 15 THR H H 720 8.240 8.150 0.090 1
1 1165 . 19 2 2 B 15 15 THR HA H 720 4.275 4.262 0.013 1
1 1170 . 19 2 2 B 15 15 THR CA C 720 61.967 63.600 -1.633 1
1 1171 . 19 2 2 B 15 15 THR CB C 720 69.183 68.550 0.633 1
1 1173 . 19 2 2 B 15 15 THR N N 720 115.029 113.387 1.642 1
1 1174 . 19 2 2 B 16 16 ASP H H 721 8.293 7.714 0.579 1
1 1175 . 19 2 2 B 16 16 ASP HA H 721 4.494 4.854 -0.360 1
1 1178 . 19 2 2 B 16 16 ASP CA C 721 54.880 53.271 1.609 1
1 1179 . 19 2 2 B 16 16 ASP CB C 721 40.891 42.241 -1.350 1
1 1180 . 19 2 2 B 16 16 ASP N N 721 122.427 120.286 2.141 1
1 1181 . 19 2 2 B 17 17 ASN H H 722 8.272 8.167 0.105 1
1 1182 . 19 2 2 B 17 17 ASN HA H 722 4.577 5.039 -0.462 1
1 1187 . 19 2 2 B 17 17 ASN CA C 722 53.330 52.479 0.851 1
1 1188 . 19 2 2 B 17 17 ASN CB C 722 38.332 39.942 -1.610 1
1 1189 . 19 2 2 B 17 17 ASN N N 722 118.916 118.004 0.912 1
1 1191 . 19 2 2 B 18 18 LEU H H 723 8.204 7.470 0.734 1
1 1192 . 19 2 2 B 18 18 LEU HA H 723 4.191 4.089 0.102 1
1 1202 . 19 2 2 B 18 18 LEU CA C 723 54.200 57.259 -3.059 1
1 1203 . 19 2 2 B 18 18 LEU CB C 723 43.545 41.489 2.056 1
1 1207 . 19 2 2 B 18 18 LEU N N 723 121.173 118.961 2.212 1
1 1208 . 19 2 2 B 19 19 LEU H H 724 7.416 7.471 -0.055 1
1 1209 . 19 2 2 B 19 19 LEU HA H 724 4.273 4.328 -0.055 1
1 1219 . 19 2 2 B 19 19 LEU CA C 724 52.415 53.950 -1.535 1
1 1220 . 19 2 2 B 19 19 LEU CB C 724 40.471 42.184 -1.713 1
1 1224 . 19 2 2 B 19 19 LEU N N 724 117.286 121.655 -4.369 1
1 1225 . 19 2 2 B 20 20 PRO HA H 725 4.271 4.510 -0.239 1
1 1232 . 19 2 2 B 20 20 PRO CA C 725 63.877 64.164 -0.287 1
1 1233 . 19 2 2 B 20 20 PRO CB C 725 32.716 31.779 0.937 1
1 1236 . 19 2 2 B 21 21 MET H H 726 8.932 7.553 1.379 1
1 1237 . 19 2 2 B 21 21 MET HA H 726 4.841 4.835 0.006 1
1 1245 . 19 2 2 B 21 21 MET CA C 726 54.199 54.392 -0.193 1
1 1246 . 19 2 2 B 21 21 MET CB C 726 36.939 36.073 0.866 1
1 1249 . 19 2 2 B 21 21 MET N N 726 116.784 118.646 -1.862 1
1 1250 . 19 2 2 B 22 22 SER H H 727 8.956 8.946 0.010 1
1 1251 . 19 2 2 B 22 22 SER HA H 727 4.771 4.982 -0.211 1
1 1254 . 19 2 2 B 22 22 SER CA C 727 56.255 56.605 -0.350 1
1 1255 . 19 2 2 B 22 22 SER CB C 727 62.528 63.398 -0.870 1
1 1256 . 19 2 2 B 22 22 SER N N 727 119.167 117.118 2.049 1
1 1257 . 19 2 2 B 23 23 PRO HA H 728 4.312 4.323 -0.011 1
1 1264 . 19 2 2 B 23 23 PRO CA C 728 65.953 65.642 0.311 1
1 1265 . 19 2 2 B 23 23 PRO CB C 728 31.810 31.892 -0.082 1
1 1268 . 19 2 2 B 24 24 GLU H H 729 8.877 8.499 0.378 1
1 1269 . 19 2 2 B 24 24 GLU HA H 729 4.163 4.101 0.062 1
1 1274 . 19 2 2 B 24 24 GLU CA C 729 59.748 59.738 0.010 1
1 1275 . 19 2 2 B 24 24 GLU CB C 729 28.819 29.070 -0.251 1
1 1277 . 19 2 2 B 24 24 GLU N N 729 116.283 117.974 -1.691 1
1 1278 . 19 2 2 B 25 25 GLU H H 730 7.789 7.689 0.100 1
1 1279 . 19 2 2 B 25 25 GLU HA H 730 3.787 3.989 -0.202 1
1 1284 . 19 2 2 B 25 25 GLU CA C 730 59.266 59.036 0.230 1
1 1285 . 19 2 2 B 25 25 GLU CB C 730 29.501 29.588 -0.087 1
1 1287 . 19 2 2 B 25 25 GLU N N 730 121.298 120.761 0.537 1
1 1288 . 19 2 2 B 26 26 PHE H H 731 8.730 8.638 0.092 1
1 1289 . 19 2 2 B 26 26 PHE HA H 731 4.364 4.169 0.195 1
1 1296 . 19 2 2 B 26 26 PHE CA C 731 59.724 61.310 -1.586 1
1 1297 . 19 2 2 B 26 26 PHE CB C 731 38.230 39.335 -1.105 1
1 1300 . 19 2 2 B 26 26 PHE N N 731 119.543 121.375 -1.832 1
1 1301 . 19 2 2 B 27 27 ASP H H 732 8.587 8.432 0.155 1
1 1302 . 19 2 2 B 27 27 ASP HA H 732 4.097 4.270 -0.173 1
1 1305 . 19 2 2 B 27 27 ASP CA C 732 57.256 57.962 -0.706 1
1 1306 . 19 2 2 B 27 27 ASP CB C 732 40.421 41.571 -1.150 1
1 1307 . 19 2 2 B 27 27 ASP N N 732 121.549 118.561 2.988 1
1 1308 . 19 2 2 B 28 28 GLU H H 733 7.383 7.643 -0.260 1
1 1309 . 19 2 2 B 28 28 GLU HA H 733 4.155 4.113 0.042 1
1 1314 . 19 2 2 B 28 28 GLU CA C 733 58.749 58.842 -0.093 1
1 1315 . 19 2 2 B 28 28 GLU CB C 733 28.933 29.337 -0.404 1
1 1317 . 19 2 2 B 28 28 GLU N N 733 119.793 119.501 0.292 1
1 1318 . 19 2 2 B 29 29 VAL H H 734 8.246 7.748 0.498 1
1 1319 . 19 2 2 B 29 29 VAL HA H 734 3.595 3.453 0.142 1
1 1327 . 19 2 2 B 29 29 VAL CA C 734 66.219 66.184 0.035 1
1 1328 . 19 2 2 B 29 29 VAL CB C 734 31.362 31.591 -0.229 1
1 1331 . 19 2 2 B 29 29 VAL N N 734 118.540 120.878 -2.338 1
1 1332 . 19 2 2 B 30 30 SER H H 735 8.384 8.169 0.215 1
1 1333 . 19 2 2 B 30 30 SER HA H 735 3.912 3.696 0.216 1
1 1336 . 19 2 2 B 30 30 SER CA C 735 61.703 61.210 0.493 1
1 1337 . 19 2 2 B 30 30 SER CB C 735 62.059 62.616 -0.557 1
1 1338 . 19 2 2 B 30 30 SER N N 735 115.154 114.919 0.235 1
1 1339 . 19 2 2 B 31 31 ARG H H 736 7.683 8.014 -0.331 1
1 1340 . 19 2 2 B 31 31 ARG HA H 736 4.027 4.073 -0.046 1
1 1348 . 19 2 2 B 31 31 ARG CA C 736 58.571 58.466 0.105 1
1 1349 . 19 2 2 B 31 31 ARG CB C 736 30.068 29.813 0.255 1
1 1352 . 19 2 2 B 31 31 ARG N N 736 121.549 120.884 0.665 1
1 1354 . 19 2 2 B 32 32 ILE H H 737 7.703 7.256 0.447 1
1 1355 . 19 2 2 B 32 32 ILE HA H 737 3.859 3.911 -0.052 1
1 1365 . 19 2 2 B 32 32 ILE CA C 737 63.445 63.877 -0.432 1
1 1366 . 19 2 2 B 32 32 ILE CB C 737 38.332 37.990 0.342 1
1 1370 . 19 2 2 B 32 32 ILE N N 737 119.167 119.904 -0.737 1
1 1371 . 19 2 2 B 33 33 VAL H H 738 8.293 7.805 0.488 1
1 1372 . 19 2 2 B 33 33 VAL HA H 738 3.901 3.863 0.038 1
1 1380 . 19 2 2 B 33 33 VAL CA C 738 63.805 64.784 -0.979 1
1 1381 . 19 2 2 B 33 33 VAL CB C 738 32.408 31.765 0.643 1
1 1384 . 19 2 2 B 33 33 VAL N N 738 116.157 119.848 -3.691 1
1 1385 . 19 2 2 B 34 34 GLY H H 739 7.868 7.885 -0.017 1
1 1386 . 19 2 2 B 34 34 GLY HA2 H 739 3.813 3.821 -0.008 1
1 1387 . 19 2 2 B 34 34 GLY HA3 H 739 4.120 3.848 0.272 1
1 1388 . 19 2 2 B 34 34 GLY CA C 739 44.831 46.742 -1.911 1
1 1389 . 19 2 2 B 34 34 GLY N N 739 108.258 110.470 -2.212 1
1 1390 . 19 2 2 B 35 35 SER H H 740 8.366 8.174 0.192 1
1 1391 . 19 2 2 B 35 35 SER HA H 740 4.389 3.909 0.480 1
1 1394 . 19 2 2 B 35 35 SER CA C 740 58.261 59.267 -1.006 1
1 1395 . 19 2 2 B 35 35 SER CB C 740 62.663 61.418 1.245 1
1 1396 . 19 2 2 B 35 35 SER N N 740 116.408 108.520 7.888 1
1 1397 . 19 2 2 B 36 36 VAL H H 741 7.897 7.603 0.294 1
1 1398 . 19 2 2 B 36 36 VAL HA H 741 4.054 3.796 0.258 1
1 1406 . 19 2 2 B 36 36 VAL CA C 741 61.737 66.435 -4.698 1
1 1407 . 19 2 2 B 36 36 VAL CB C 741 33.084 31.968 1.116 1
1 1410 . 19 2 2 B 36 36 VAL N N 741 122.928 120.137 2.791 1
1 1411 . 19 2 2 B 37 37 GLU H H 742 8.468 8.123 0.345 1
1 1412 . 19 2 2 B 37 37 GLU HA H 742 4.306 4.694 -0.388 1
1 1417 . 19 2 2 B 37 37 GLU CA C 742 55.803 55.876 -0.073 1
1 1418 . 19 2 2 B 37 37 GLU CB C 742 29.029 30.922 -1.893 1
1 1420 . 19 2 2 B 37 37 GLU N N 742 124.057 119.808 4.249 1
1 1421 . 19 2 2 B 38 38 PHE H H 743 8.222 7.828 0.394 1
1 1422 . 19 2 2 B 38 38 PHE HA H 743 4.360 4.036 0.324 1
1 1429 . 19 2 2 B 38 38 PHE CA C 743 59.263 61.898 -2.635 1
1 1430 . 19 2 2 B 38 38 PHE CB C 743 39.524 39.514 0.010 1
1 1433 . 19 2 2 B 38 38 PHE N N 743 122.427 121.753 0.674 1
1 1434 . 19 2 2 B 39 39 ASP H H 744 8.602 8.849 -0.247 1
1 1435 . 19 2 2 B 39 39 ASP HA H 744 4.380 4.375 0.005 1
1 1438 . 19 2 2 B 39 39 ASP CA C 744 56.495 55.035 1.460 1
1 1439 . 19 2 2 B 39 39 ASP CB C 744 40.119 39.208 0.911 1
1 1440 . 19 2 2 B 39 39 ASP N N 744 120.044 117.661 2.383 1
1 1441 . 19 2 2 B 40 40 SER H H 745 8.143 8.055 0.088 1
1 1442 . 19 2 2 B 40 40 SER HA H 745 4.328 4.673 -0.345 1
1 1445 . 19 2 2 B 40 40 SER CA C 745 59.724 57.836 1.888 1
1 1446 . 19 2 2 B 40 40 SER CB C 745 62.723 64.425 -1.702 1
1 1447 . 19 2 2 B 40 40 SER N N 745 114.527 114.778 -0.251 1
1 1448 . 19 2 2 B 41 41 MET H H 746 7.930 7.626 0.304 1
1 1449 . 19 2 2 B 41 41 MET HA H 746 4.374 4.231 0.143 1
1 1457 . 19 2 2 B 41 41 MET CA C 746 56.244 57.824 -1.580 1
1 1458 . 19 2 2 B 41 41 MET CB C 746 32.502 31.683 0.819 1
1 1461 . 19 2 2 B 41 41 MET N N 746 120.044 120.394 -0.350 1
1 1462 . 19 2 2 B 42 42 MET H H 747 7.784 7.856 -0.072 1
1 1463 . 19 2 2 B 42 42 MET HA H 747 4.232 4.610 -0.378 1
1 1471 . 19 2 2 B 42 42 MET CA C 747 55.830 54.583 1.247 1
1 1472 . 19 2 2 B 42 42 MET CB C 747 32.502 32.013 0.489 1
1 1475 . 19 2 2 B 42 42 MET N N 747 117.035 115.846 1.189 1
1 1476 . 19 2 2 B 43 43 ASN H H 748 7.960 7.676 0.284 1
1 1477 . 19 2 2 B 43 43 ASN HA H 748 4.831 5.175 -0.344 1
1 1482 . 19 2 2 B 43 43 ASN CA C 748 53.146 52.340 0.806 1
1 1483 . 19 2 2 B 43 43 ASN CB C 748 38.795 42.257 -3.462 1
1 1484 . 19 2 2 B 43 43 ASN N N 748 117.537 117.895 -0.358 1
1 1486 . 19 2 2 B 44 44 THR H H 749 8.039 8.481 -0.442 1
1 1487 . 19 2 2 B 44 44 THR HA H 749 4.432 4.610 -0.178 1
1 1492 . 19 2 2 B 44 44 THR CA C 749 61.570 61.347 0.223 1
1 1493 . 19 2 2 B 44 44 THR CB C 749 69.644 70.869 -1.225 1
1 1495 . 19 2 2 B 44 44 THR N N 749 114.026 116.523 -2.497 1
1 6 . 20 1 1 A 2 2 PRO HA H 2 4.396 4.322 0.074 1
1 13 . 20 1 1 A 2 2 PRO CA C 2 65.107 65.733 -0.626 1
1 14 . 20 1 1 A 2 2 PRO CB C 2 31.810 31.401 0.409 1
1 17 . 20 1 1 A 3 3 GLN H H 3 8.509 8.392 0.117 1
1 18 . 20 1 1 A 3 3 GLN HA H 3 3.962 4.182 -0.220 1
1 25 . 20 1 1 A 3 3 GLN CA C 3 59.223 57.753 1.470 1
1 26 . 20 1 1 A 3 3 GLN CB C 3 28.119 28.573 -0.454 1
1 28 . 20 1 1 A 3 3 GLN N N 3 117.064 117.831 -0.767 1
1 30 . 20 1 1 A 4 4 GLU H H 4 7.950 8.355 -0.405 1
1 31 . 20 1 1 A 4 4 GLU HA H 4 4.105 4.069 0.036 1
1 36 . 20 1 1 A 4 4 GLU CA C 4 58.778 59.464 -0.686 1
1 37 . 20 1 1 A 4 4 GLU CB C 4 29.734 29.239 0.495 1
1 39 . 20 1 1 A 4 4 GLU N N 4 121.574 121.410 0.164 1
1 40 . 20 1 1 A 5 5 SER H H 5 8.511 8.394 0.117 1
1 41 . 20 1 1 A 5 5 SER HA H 5 4.238 4.198 0.040 1
1 44 . 20 1 1 A 5 5 SER CA C 5 61.377 61.117 0.260 1
1 45 . 20 1 1 A 5 5 SER CB C 5 62.351 62.628 -0.277 1
1 46 . 20 1 1 A 5 5 SER N N 5 115.674 114.197 1.477 1
1 47 . 20 1 1 A 6 6 ARG H H 6 8.276 7.621 0.655 1
1 48 . 20 1 1 A 6 6 ARG HA H 6 4.324 4.137 0.187 1
1 55 . 20 1 1 A 6 6 ARG CA C 6 58.988 59.368 -0.380 1
1 56 . 20 1 1 A 6 6 ARG CB C 6 30.426 30.220 0.206 1
1 59 . 20 1 1 A 6 6 ARG N N 6 122.441 121.893 0.548 1
1 60 . 20 1 1 A 7 7 ARG H H 7 8.015 8.177 -0.162 1
1 61 . 20 1 1 A 7 7 ARG HA H 7 3.955 4.097 -0.142 1
1 68 . 20 1 1 A 7 7 ARG CA C 7 59.724 58.938 0.786 1
1 69 . 20 1 1 A 7 7 ARG CB C 7 29.965 29.959 0.006 1
1 72 . 20 1 1 A 7 7 ARG N N 7 119.491 119.733 -0.242 1
1 73 . 20 1 1 A 8 8 LEU H H 8 8.158 8.472 -0.314 1
1 74 . 20 1 1 A 8 8 LEU HA H 8 4.161 4.119 0.042 1
1 84 . 20 1 1 A 8 8 LEU CA C 8 57.686 57.648 0.038 1
1 85 . 20 1 1 A 8 8 LEU CB C 8 41.312 41.287 0.025 1
1 89 . 20 1 1 A 8 8 LEU N N 8 120.359 119.713 0.646 1
1 90 . 20 1 1 A 9 9 SER H H 9 8.090 7.936 0.154 1
1 91 . 20 1 1 A 9 9 SER HA H 9 4.292 4.142 0.150 1
1 94 . 20 1 1 A 9 9 SER CA C 9 61.570 62.503 -0.933 1
1 95 . 20 1 1 A 9 9 SER CB C 9 62.493 62.993 -0.500 1
1 96 . 20 1 1 A 9 9 SER N N 9 116.178 114.591 1.587 1
1 97 . 20 1 1 A 10 10 ILE H H 10 8.396 7.967 0.429 1
1 98 . 20 1 1 A 10 10 ILE HA H 10 3.505 3.505 0.000 1
1 108 . 20 1 1 A 10 10 ILE CA C 10 65.608 64.994 0.614 1
1 109 . 20 1 1 A 10 10 ILE CB C 10 37.706 37.160 0.546 1
1 113 . 20 1 1 A 10 10 ILE N N 10 122.840 121.361 1.479 1
1 114 . 20 1 1 A 11 11 GLN H H 11 8.142 7.754 0.388 1
1 115 . 20 1 1 A 11 11 GLN HA H 11 4.032 4.006 0.026 1
1 122 . 20 1 1 A 11 11 GLN CA C 11 59.060 59.226 -0.166 1
1 123 . 20 1 1 A 11 11 GLN CB C 11 27.888 28.318 -0.430 1
1 125 . 20 1 1 A 11 11 GLN N N 11 119.144 118.935 0.209 1
1 127 . 20 1 1 A 12 12 ARG H H 12 8.330 7.654 0.676 1
1 128 . 20 1 1 A 12 12 ARG HA H 12 4.179 4.020 0.159 1
1 135 . 20 1 1 A 12 12 ARG CA C 12 59.494 59.314 0.180 1
1 136 . 20 1 1 A 12 12 ARG CB C 12 29.734 29.910 -0.176 1
1 138 . 20 1 1 A 12 12 ARG N N 12 120.186 119.336 0.850 1
1 139 . 20 1 1 A 13 13 CYS H H 13 8.242 7.729 0.513 1
1 140 . 20 1 1 A 13 13 CYS HA H 13 4.231 4.093 0.138 1
1 143 . 20 1 1 A 13 13 CYS CA C 13 63.289 63.860 -0.571 1
1 144 . 20 1 1 A 13 13 CYS CB C 13 26.505 27.122 -0.617 1
1 145 . 20 1 1 A 13 13 CYS N N 13 121.574 120.157 1.417 1
1 146 . 20 1 1 A 14 14 ILE H H 14 8.493 8.354 0.139 1
1 147 . 20 1 1 A 14 14 ILE HA H 14 3.787 3.580 0.207 1
1 157 . 20 1 1 A 14 14 ILE CA C 14 64.269 65.324 -1.055 1
1 158 . 20 1 1 A 14 14 ILE CB C 14 36.597 37.700 -1.103 1
1 162 . 20 1 1 A 14 14 ILE N N 14 120.012 119.533 0.479 1
1 163 . 20 1 1 A 15 15 GLN H H 15 8.468 8.271 0.197 1
1 164 . 20 1 1 A 15 15 GLN HA H 15 4.107 4.013 0.094 1
1 171 . 20 1 1 A 15 15 GLN CA C 15 58.969 59.050 -0.081 1
1 172 . 20 1 1 A 15 15 GLN CB C 15 27.843 28.463 -0.620 1
1 174 . 20 1 1 A 15 15 GLN N N 15 119.665 118.731 0.934 1
1 176 . 20 1 1 A 16 16 SER H H 16 8.409 8.080 0.329 1
1 177 . 20 1 1 A 16 16 SER HA H 16 4.424 4.101 0.323 1
1 180 . 20 1 1 A 16 16 SER CA C 16 61.726 62.487 -0.761 1
1 181 . 20 1 1 A 16 16 SER CB C 16 62.564 62.975 -0.411 1
1 182 . 20 1 1 A 16 16 SER N N 16 117.062 116.165 0.897 1
1 183 . 20 1 1 A 17 17 LEU H H 17 8.235 8.094 0.141 1
1 184 . 20 1 1 A 17 17 LEU HA H 17 4.103 4.062 0.041 1
1 194 . 20 1 1 A 17 17 LEU CA C 17 58.340 57.858 0.482 1
1 195 . 20 1 1 A 17 17 LEU CB C 17 41.961 41.583 0.378 1
1 199 . 20 1 1 A 17 17 LEU N N 17 125.564 122.939 2.625 1
1 200 . 20 1 1 A 18 18 VAL H H 18 8.603 8.185 0.418 1
1 201 . 20 1 1 A 18 18 VAL HA H 18 3.261 3.553 -0.292 1
1 209 . 20 1 1 A 18 18 VAL CA C 18 67.097 66.522 0.575 1
1 210 . 20 1 1 A 18 18 VAL CB C 18 31.589 31.500 0.089 1
1 213 . 20 1 1 A 18 18 VAL N N 18 119.665 118.743 0.922 1
1 214 . 20 1 1 A 19 19 HIS H H 19 8.083 8.341 -0.258 1
1 215 . 20 1 1 A 19 19 HIS HA H 19 4.231 4.155 0.076 1
1 219 . 20 1 1 A 19 19 HIS CA C 19 59.641 60.178 -0.537 1
1 220 . 20 1 1 A 19 19 HIS CB C 19 26.966 29.677 -2.711 1
1 222 . 20 1 1 A 19 19 HIS N N 19 116.094 119.329 -3.235 1
1 223 . 20 1 1 A 20 20 ALA H H 20 8.796 8.384 0.412 1
1 224 . 20 1 1 A 20 20 ALA HA H 20 4.308 3.998 0.310 1
1 228 . 20 1 1 A 20 20 ALA CA C 20 55.341 55.220 0.121 1
1 229 . 20 1 1 A 20 20 ALA CB C 20 20.026 18.264 1.762 1
1 230 . 20 1 1 A 20 20 ALA N N 20 121.747 120.434 1.313 1
1 231 . 20 1 1 A 21 21 CYS H H 21 7.909 7.934 -0.025 1
1 232 . 20 1 1 A 21 21 CYS HA H 21 4.294 4.219 0.075 1
1 235 . 20 1 1 A 21 21 CYS CA C 21 61.665 61.286 0.379 1
1 236 . 20 1 1 A 21 21 CYS CB C 21 26.764 26.997 -0.233 1
1 237 . 20 1 1 A 21 21 CYS N N 21 111.875 115.754 -3.879 1
1 238 . 20 1 1 A 22 22 GLN H H 22 7.357 7.769 -0.412 1
1 239 . 20 1 1 A 22 22 GLN HA H 22 4.531 4.380 0.151 1
1 246 . 20 1 1 A 22 22 GLN CA C 22 54.445 56.226 -1.781 1
1 247 . 20 1 1 A 22 22 GLN CB C 22 30.608 31.116 -0.508 1
1 249 . 20 1 1 A 22 22 GLN N N 22 116.021 117.281 -1.260 1
1 251 . 20 1 1 A 23 23 CYS H H 23 7.229 7.656 -0.427 1
1 252 . 20 1 1 A 23 23 CYS HA H 23 3.947 4.337 -0.390 1
1 255 . 20 1 1 A 23 23 CYS CA C 23 59.996 59.355 0.641 1
1 256 . 20 1 1 A 23 23 CYS CB C 23 29.000 28.616 0.384 1
1 257 . 20 1 1 A 23 23 CYS N N 23 124.350 118.847 5.503 1
1 258 . 20 1 1 A 24 24 ARG H H 24 8.966 8.696 0.270 1
1 259 . 20 1 1 A 24 24 ARG HA H 24 4.590 4.598 -0.008 1
1 266 . 20 1 1 A 24 24 ARG CA C 24 54.306 55.986 -1.680 1
1 267 . 20 1 1 A 24 24 ARG CB C 24 29.771 32.264 -2.493 1
1 270 . 20 1 1 A 24 24 ARG N N 24 129.729 123.066 6.663 1
1 271 . 20 1 1 A 25 25 ASN H H 25 7.823 7.061 0.762 1
1 272 . 20 1 1 A 25 25 ASN HA H 25 4.853 4.629 0.224 1
1 277 . 20 1 1 A 25 25 ASN CA C 25 51.372 53.705 -2.333 1
1 278 . 20 1 1 A 25 25 ASN CB C 25 38.727 38.970 -0.243 1
1 279 . 20 1 1 A 25 25 ASN N N 25 120.186 118.510 1.676 1
1 281 . 20 1 1 A 26 26 ALA H H 26 9.248 8.858 0.390 1
1 282 . 20 1 1 A 26 26 ALA HA H 26 4.091 4.055 0.036 1
1 286 . 20 1 1 A 26 26 ALA CA C 26 54.027 54.733 -0.706 1
1 287 . 20 1 1 A 26 26 ALA CB C 26 18.209 18.548 -0.339 1
1 288 . 20 1 1 A 26 26 ALA N N 26 130.423 126.012 4.411 1
1 289 . 20 1 1 A 27 27 ASN H H 27 8.085 7.992 0.093 1
1 290 . 20 1 1 A 27 27 ASN HA H 27 4.834 4.991 -0.157 1
1 295 . 20 1 1 A 27 27 ASN CA C 27 51.625 52.127 -0.502 1
1 296 . 20 1 1 A 27 27 ASN CB C 27 38.577 39.373 -0.796 1
1 297 . 20 1 1 A 27 27 ASN N N 27 113.766 115.389 -1.623 1
1 299 . 20 1 1 A 28 28 CYS H H 28 7.209 7.772 -0.563 1
1 300 . 20 1 1 A 28 28 CYS HA H 28 4.053 4.366 -0.313 1
1 303 . 20 1 1 A 28 28 CYS CA C 28 61.312 59.742 1.570 1
1 304 . 20 1 1 A 28 28 CYS CB C 28 29.674 28.897 0.777 1
1 305 . 20 1 1 A 28 28 CYS N N 28 123.309 121.098 2.211 1
1 306 . 20 1 1 A 29 29 SER H H 29 8.922 8.592 0.330 1
1 307 . 20 1 1 A 29 29 SER HA H 29 4.609 4.203 0.406 1
1 310 . 20 1 1 A 29 29 SER CA C 29 57.450 60.821 -3.371 1
1 311 . 20 1 1 A 29 29 SER CB C 29 63.604 62.885 0.719 1
1 312 . 20 1 1 A 29 29 SER N N 29 124.870 119.200 5.670 1
1 313 . 20 1 1 A 30 30 LEU H H 30 8.513 7.586 0.927 1
1 314 . 20 1 1 A 30 30 LEU HA H 30 4.497 4.407 0.090 1
1 324 . 20 1 1 A 30 30 LEU CA C 30 53.980 52.925 1.055 1
1 325 . 20 1 1 A 30 30 LEU CB C 30 40.643 41.657 -1.014 1
1 329 . 20 1 1 A 30 30 LEU N N 30 128.341 125.002 3.339 1
1 330 . 20 1 1 A 31 31 PRO HA H 31 4.329 4.268 0.061 1
1 337 . 20 1 1 A 31 31 PRO CA C 31 65.026 64.757 0.269 1
1 338 . 20 1 1 A 31 31 PRO CB C 31 31.580 32.214 -0.634 1
1 341 . 20 1 1 A 32 32 SER H H 32 8.537 8.097 0.440 1
1 342 . 20 1 1 A 32 32 SER HA H 32 4.287 4.187 0.100 1
1 345 . 20 1 1 A 32 32 SER CA C 32 60.277 61.508 -1.231 1
1 346 . 20 1 1 A 32 32 SER CB C 32 62.277 62.371 -0.094 1
1 347 . 20 1 1 A 32 32 SER N N 32 112.551 112.048 0.503 1
1 348 . 20 1 1 A 33 33 CYS H H 33 7.523 8.093 -0.570 1
1 349 . 20 1 1 A 33 33 CYS HA H 33 4.170 3.908 0.262 1
1 352 . 20 1 1 A 33 33 CYS CA C 33 63.408 62.969 0.439 1
1 353 . 20 1 1 A 33 33 CYS CB C 33 29.503 26.539 2.964 1
1 354 . 20 1 1 A 33 33 CYS N N 33 126.085 120.353 5.732 1
1 355 . 20 1 1 A 34 34 GLN H H 34 8.102 7.882 0.220 1
1 356 . 20 1 1 A 34 34 GLN HA H 34 3.963 4.069 -0.106 1
1 359 . 20 1 1 A 34 34 GLN N N 34 115.711 118.888 -3.177 1
1 361 . 20 1 1 A 35 35 LYS H H 35 8.093 7.722 0.371 1
1 362 . 20 1 1 A 35 35 LYS HA H 35 3.994 4.142 -0.148 1
1 371 . 20 1 1 A 35 35 LYS CA C 35 59.502 59.113 0.389 1
1 372 . 20 1 1 A 35 35 LYS CB C 35 32.273 32.393 -0.120 1
1 376 . 20 1 1 A 35 35 LYS N N 35 117.930 120.737 -2.807 1
1 377 . 20 1 1 A 36 36 MET H H 36 8.237 8.645 -0.408 1
1 378 . 20 1 1 A 36 36 MET HA H 36 4.488 4.087 0.401 1
1 386 . 20 1 1 A 36 36 MET CA C 36 56.725 59.306 -2.581 1
1 387 . 20 1 1 A 36 36 MET CB C 36 30.954 32.577 -1.623 1
1 390 . 20 1 1 A 36 36 MET N N 36 117.062 118.541 -1.479 1
1 391 . 20 1 1 A 37 37 LYS H H 37 9.107 8.119 0.988 1
1 392 . 20 1 1 A 37 37 LYS HA H 37 3.900 4.018 -0.118 1
1 401 . 20 1 1 A 37 37 LYS CA C 37 61.097 59.977 1.120 1
1 402 . 20 1 1 A 37 37 LYS CB C 37 32.947 32.327 0.620 1
1 406 . 20 1 1 A 37 37 LYS N N 37 120.186 119.071 1.115 1
1 407 . 20 1 1 A 38 38 ARG H H 38 7.781 7.886 -0.105 1
1 408 . 20 1 1 A 38 38 ARG HA H 38 4.127 4.103 0.024 1
1 413 . 20 1 1 A 38 38 ARG CA C 38 59.263 59.233 0.030 1
1 414 . 20 1 1 A 38 38 ARG CB C 38 29.965 29.940 0.025 1
1 416 . 20 1 1 A 38 38 ARG N N 38 118.971 119.574 -0.603 1
1 417 . 20 1 1 A 39 39 VAL H H 39 8.289 8.094 0.195 1
1 418 . 20 1 1 A 39 39 VAL HA H 39 3.539 3.731 -0.192 1
1 426 . 20 1 1 A 39 39 VAL CA C 39 66.989 66.499 0.490 1
1 427 . 20 1 1 A 39 39 VAL CB C 39 31.451 31.697 -0.246 1
1 430 . 20 1 1 A 39 39 VAL N N 39 123.829 120.331 3.498 1
1 431 . 20 1 1 A 40 40 VAL H H 40 8.318 8.330 -0.012 1
1 432 . 20 1 1 A 40 40 VAL HA H 40 3.528 3.815 -0.287 1
1 440 . 20 1 1 A 40 40 VAL CA C 40 67.050 65.297 1.753 1
1 441 . 20 1 1 A 40 40 VAL CB C 40 31.608 31.287 0.321 1
1 444 . 20 1 1 A 40 40 VAL N N 40 119.665 120.426 -0.761 1
1 445 . 20 1 1 A 41 41 GLN H H 41 8.263 8.121 0.142 1
1 446 . 20 1 1 A 41 41 GLN HA H 41 3.974 3.942 0.032 1
1 453 . 20 1 1 A 41 41 GLN CA C 41 58.571 59.196 -0.625 1
1 454 . 20 1 1 A 41 41 GLN CB C 41 28.018 28.334 -0.316 1
1 456 . 20 1 1 A 41 41 GLN N N 41 118.450 122.022 -3.572 1
1 458 . 20 1 1 A 42 42 HIS H H 42 8.309 8.102 0.207 1
1 459 . 20 1 1 A 42 42 HIS HA H 42 4.215 4.328 -0.113 1
1 463 . 20 1 1 A 42 42 HIS CA C 42 59.402 59.364 0.038 1
1 464 . 20 1 1 A 42 42 HIS CB C 42 26.966 30.326 -3.360 1
1 466 . 20 1 1 A 42 42 HIS N N 42 118.971 120.099 -1.128 1
1 467 . 20 1 1 A 43 43 THR H H 43 8.056 8.211 -0.155 1
1 468 . 20 1 1 A 43 43 THR HA H 43 3.929 3.793 0.136 1
1 474 . 20 1 1 A 43 43 THR CA C 43 66.101 67.249 -1.148 1
1 475 . 20 1 1 A 43 43 THR CB C 43 69.107 68.437 0.670 1
1 477 . 20 1 1 A 43 43 THR N N 43 114.320 113.520 0.800 1
1 478 . 20 1 1 A 44 44 LYS H H 44 7.531 8.066 -0.535 1
1 479 . 20 1 1 A 44 44 LYS HA H 44 4.085 4.085 0.000 1
1 488 . 20 1 1 A 44 44 LYS CA C 44 58.682 59.269 -0.587 1
1 489 . 20 1 1 A 44 44 LYS CB C 44 32.024 32.441 -0.417 1
1 493 . 20 1 1 A 44 44 LYS N N 44 120.012 119.716 0.296 1
1 494 . 20 1 1 A 45 45 GLY H H 45 7.143 7.751 -0.608 1
1 495 . 20 1 1 A 45 45 GLY HA2 H 45 3.625 4.041 -0.416 1
1 496 . 20 1 1 A 45 45 GLY HA3 H 45 4.387 4.061 0.326 1
1 497 . 20 1 1 A 45 45 GLY CA C 45 44.289 45.247 -0.958 1
1 498 . 20 1 1 A 45 45 GLY N N 45 103.528 106.853 -3.325 1
1 499 . 20 1 1 A 46 46 CYS H H 46 6.988 7.326 -0.338 1
1 500 . 20 1 1 A 46 46 CYS HA H 46 3.955 4.307 -0.352 1
1 503 . 20 1 1 A 46 46 CYS CA C 46 60.654 59.404 1.250 1
1 504 . 20 1 1 A 46 46 CYS CB C 46 29.793 28.431 1.362 1
1 505 . 20 1 1 A 46 46 CYS N N 46 123.656 120.198 3.458 1
1 506 . 20 1 1 A 47 47 LYS H H 47 9.060 8.849 0.211 1
1 507 . 20 1 1 A 47 47 LYS HA H 47 4.489 4.507 -0.018 1
1 516 . 20 1 1 A 47 47 LYS CA C 47 56.127 56.482 -0.355 1
1 517 . 20 1 1 A 47 47 LYS CB C 47 32.393 32.333 0.060 1
1 521 . 20 1 1 A 47 47 LYS N N 47 127.820 127.376 0.444 1
1 522 . 20 1 1 A 48 48 ARG H H 48 8.537 7.539 0.998 1
1 523 . 20 1 1 A 48 48 ARG HA H 48 4.330 4.530 -0.200 1
1 530 . 20 1 1 A 48 48 ARG CA C 48 57.648 57.595 0.053 1
1 531 . 20 1 1 A 48 48 ARG CB C 48 31.810 31.637 0.173 1
1 534 . 20 1 1 A 48 48 ARG N N 48 122.615 115.203 7.412 1
1 535 . 20 1 1 A 49 49 LYS H H 49 8.522 7.985 0.537 1
1 536 . 20 1 1 A 49 49 LYS HA H 49 4.554 4.291 0.263 1
1 545 . 20 1 1 A 49 49 LYS CA C 49 57.417 57.173 0.244 1
1 546 . 20 1 1 A 49 49 LYS CB C 49 31.543 31.856 -0.313 1
1 550 . 20 1 1 A 49 49 LYS N N 49 117.583 119.337 -1.754 1
1 551 . 20 1 1 A 50 50 THR H H 50 7.992 8.767 -0.775 1
1 552 . 20 1 1 A 50 50 THR HA H 50 4.127 3.927 0.200 1
1 557 . 20 1 1 A 50 50 THR CA C 50 63.985 65.762 -1.777 1
1 558 . 20 1 1 A 50 50 THR CB C 50 68.157 68.219 -0.062 1
1 560 . 20 1 1 A 50 50 THR N N 50 113.245 113.456 -0.211 1
1 561 . 20 1 1 A 51 51 ASN H H 51 8.888 8.160 0.728 1
1 562 . 20 1 1 A 51 51 ASN HA H 51 4.665 4.429 0.236 1
1 567 . 20 1 1 A 51 51 ASN CA C 51 54.159 55.992 -1.833 1
1 568 . 20 1 1 A 51 51 ASN CB C 51 37.857 38.284 -0.427 1
1 570 . 20 1 1 A 52 52 GLY H H 52 7.972 8.001 -0.029 1
1 571 . 20 1 1 A 52 52 GLY HA2 H 52 3.893 3.930 -0.037 1
1 572 . 20 1 1 A 52 52 GLY HA3 H 52 4.101 3.934 0.167 1
1 573 . 20 1 1 A 52 52 GLY CA C 52 45.368 45.711 -0.343 1
1 574 . 20 1 1 A 52 52 GLY N N 52 106.651 105.598 1.053 1
1 575 . 20 1 1 A 53 53 GLY H H 53 7.765 7.953 -0.188 1
1 576 . 20 1 1 A 53 53 GLY HA2 H 53 3.837 4.066 -0.229 1
1 577 . 20 1 1 A 53 53 GLY HA3 H 53 4.079 4.067 0.012 1
1 578 . 20 1 1 A 53 53 GLY CA C 53 45.227 44.907 0.320 1
1 579 . 20 1 1 A 53 53 GLY N N 53 107.519 106.784 0.735 1
1 580 . 20 1 1 A 54 54 CYS H H 54 8.099 7.961 0.138 1
1 581 . 20 1 1 A 54 54 CYS HA H 54 4.720 4.541 0.179 1
1 584 . 20 1 1 A 54 54 CYS CA C 54 55.572 57.402 -1.830 1
1 585 . 20 1 1 A 54 54 CYS CB C 54 30.216 28.771 1.445 1
1 586 . 20 1 1 A 54 54 CYS N N 54 122.615 119.610 3.005 1
1 587 . 20 1 1 A 55 55 PRO HA H 55 4.237 4.487 -0.250 1
1 594 . 20 1 1 A 55 55 PRO CA C 55 64.757 63.880 0.877 1
1 595 . 20 1 1 A 55 55 PRO CB C 55 32.311 32.009 0.302 1
1 598 . 20 1 1 A 56 56 VAL H H 56 7.645 6.691 0.954 1
1 599 . 20 1 1 A 56 56 VAL HA H 56 3.384 3.705 -0.321 1
1 607 . 20 1 1 A 56 56 VAL CA C 56 66.184 65.609 0.575 1
1 608 . 20 1 1 A 56 56 VAL CB C 56 32.502 31.540 0.962 1
1 611 . 20 1 1 A 56 56 VAL N N 56 121.227 116.655 4.572 1
1 612 . 20 1 1 A 57 57 CYS H H 57 8.565 7.997 0.568 1
1 613 . 20 1 1 A 57 57 CYS HA H 57 4.034 4.091 -0.057 1
1 616 . 20 1 1 A 57 57 CYS CA C 57 65.746 63.625 2.121 1
1 617 . 20 1 1 A 57 57 CYS CB C 57 29.273 27.170 2.103 1
1 618 . 20 1 1 A 57 57 CYS N N 57 122.615 117.838 4.777 1
1 619 . 20 1 1 A 58 58 LYS H H 58 7.956 7.638 0.318 1
1 620 . 20 1 1 A 58 58 LYS HA H 58 3.874 3.825 0.049 1
1 629 . 20 1 1 A 58 58 LYS CA C 58 59.955 59.252 0.703 1
1 630 . 20 1 1 A 58 58 LYS CB C 58 32.272 32.176 0.096 1
1 634 . 20 1 1 A 58 58 LYS N N 58 116.889 121.082 -4.193 1
1 635 . 20 1 1 A 59 59 GLN H H 59 7.359 7.757 -0.398 1
1 636 . 20 1 1 A 59 59 GLN HA H 59 3.789 4.065 -0.276 1
1 643 . 20 1 1 A 59 59 GLN CA C 59 60.647 58.665 1.982 1
1 644 . 20 1 1 A 59 59 GLN CB C 59 27.196 28.204 -1.008 1
1 646 . 20 1 1 A 59 59 GLN N N 59 116.889 118.573 -1.684 1
1 648 . 20 1 1 A 60 60 LEU H H 60 8.303 7.718 0.585 1
1 649 . 20 1 1 A 60 60 LEU HA H 60 4.093 3.988 0.105 1
1 659 . 20 1 1 A 60 60 LEU CA C 60 58.110 57.912 0.198 1
1 660 . 20 1 1 A 60 60 LEU CB C 60 40.807 41.770 -0.963 1
1 664 . 20 1 1 A 60 60 LEU N N 60 118.103 119.523 -1.420 1
1 665 . 20 1 1 A 61 61 ILE H H 61 8.804 7.870 0.934 1
1 666 . 20 1 1 A 61 61 ILE HA H 61 3.801 3.396 0.405 1
1 676 . 20 1 1 A 61 61 ILE CA C 61 63.416 65.618 -2.202 1
1 677 . 20 1 1 A 61 61 ILE CB C 61 36.886 37.681 -0.795 1
1 681 . 20 1 1 A 61 61 ILE N N 61 118.624 118.621 0.003 1
1 682 . 20 1 1 A 62 62 ALA H H 62 7.796 7.771 0.025 1
1 683 . 20 1 1 A 62 62 ALA HA H 62 4.058 4.109 -0.051 1
1 687 . 20 1 1 A 62 62 ALA CA C 62 56.030 55.378 0.652 1
1 688 . 20 1 1 A 62 62 ALA CB C 62 18.068 18.353 -0.285 1
1 689 . 20 1 1 A 62 62 ALA N N 62 124.003 122.923 1.080 1
1 690 . 20 1 1 A 63 63 LEU H H 63 8.011 7.761 0.250 1
1 691 . 20 1 1 A 63 63 LEU HA H 63 4.077 4.096 -0.019 1
1 701 . 20 1 1 A 63 63 LEU CA C 63 58.110 57.872 0.238 1
1 702 . 20 1 1 A 63 63 LEU CB C 63 42.116 41.284 0.832 1
1 706 . 20 1 1 A 63 63 LEU N N 63 117.583 119.443 -1.860 1
1 707 . 20 1 1 A 64 64 CYS H H 64 8.818 8.663 0.155 1
1 708 . 20 1 1 A 64 64 CYS HA H 64 4.053 4.278 -0.225 1
1 711 . 20 1 1 A 64 64 CYS CA C 64 64.800 62.754 2.046 1
1 712 . 20 1 1 A 64 64 CYS CB C 64 26.504 26.962 -0.458 1
1 713 . 20 1 1 A 64 64 CYS N N 64 118.277 116.897 1.380 1
1 714 . 20 1 1 A 65 65 CYS H H 65 8.793 8.601 0.192 1
1 715 . 20 1 1 A 65 65 CYS HA H 65 4.258 4.135 0.123 1
1 718 . 20 1 1 A 65 65 CYS CA C 65 63.646 63.792 -0.146 1
1 719 . 20 1 1 A 65 65 CYS CB C 65 26.966 26.827 0.139 1
1 720 . 20 1 1 A 65 65 CYS N N 65 118.971 119.258 -0.287 1
1 721 . 20 1 1 A 66 66 TYR H H 66 8.369 8.383 -0.014 1
1 722 . 20 1 1 A 66 66 TYR HA H 66 4.034 4.251 -0.217 1
1 729 . 20 1 1 A 66 66 TYR CA C 66 60.886 61.830 -0.944 1
1 730 . 20 1 1 A 66 66 TYR CB C 66 37.808 38.403 -0.595 1
1 733 . 20 1 1 A 66 66 TYR N N 66 121.574 122.443 -0.869 1
1 734 . 20 1 1 A 67 67 HIS H H 67 8.633 7.663 0.970 1
1 735 . 20 1 1 A 67 67 HIS HA H 67 4.318 4.326 -0.008 1
1 740 . 20 1 1 A 67 67 HIS CA C 67 58.998 60.154 -1.156 1
1 741 . 20 1 1 A 67 67 HIS CB C 67 27.409 30.259 -2.850 1
1 744 . 20 1 1 A 67 67 HIS N N 67 117.409 118.892 -1.483 1
1 745 . 20 1 1 A 68 68 ALA H H 68 8.725 8.879 -0.154 1
1 746 . 20 1 1 A 68 68 ALA HA H 68 4.019 3.926 0.093 1
1 750 . 20 1 1 A 68 68 ALA CA C 68 54.690 55.298 -0.608 1
1 751 . 20 1 1 A 68 68 ALA CB C 68 19.964 18.431 1.533 1
1 752 . 20 1 1 A 68 68 ALA N N 68 122.094 120.970 1.124 1
1 753 . 20 1 1 A 69 69 LYS H H 69 7.362 8.090 -0.728 1
1 754 . 20 1 1 A 69 69 LYS HA H 69 3.736 3.947 -0.211 1
1 763 . 20 1 1 A 69 69 LYS CA C 69 58.137 59.133 -0.996 1
1 764 . 20 1 1 A 69 69 LYS CB C 69 32.224 32.089 0.135 1
1 768 . 20 1 1 A 69 69 LYS N N 69 114.807 117.753 -2.946 1
1 769 . 20 1 1 A 70 70 HIS H H 70 7.011 7.586 -0.575 1
1 770 . 20 1 1 A 70 70 HIS HA H 70 4.697 4.385 0.312 1
1 774 . 20 1 1 A 70 70 HIS CA C 70 54.835 57.872 -3.037 1
1 775 . 20 1 1 A 70 70 HIS CB C 70 30.477 31.052 -0.575 1
1 777 . 20 1 1 A 70 70 HIS N N 70 112.898 113.869 -0.971 1
1 778 . 20 1 1 A 71 71 CYS H H 71 7.012 7.420 -0.408 1
1 779 . 20 1 1 A 71 71 CYS HA H 71 4.032 4.240 -0.208 1
1 782 . 20 1 1 A 71 71 CYS CA C 71 59.948 59.995 -0.047 1
1 783 . 20 1 1 A 71 71 CYS CB C 71 29.752 27.750 2.002 1
1 784 . 20 1 1 A 71 71 CYS N N 71 123.829 117.767 6.062 1
1 785 . 20 1 1 A 72 72 GLN H H 72 9.181 8.895 0.286 1
1 786 . 20 1 1 A 72 72 GLN HA H 72 4.674 4.620 0.054 1
1 793 . 20 1 1 A 72 72 GLN CA C 72 54.224 55.546 -1.322 1
1 794 . 20 1 1 A 72 72 GLN CB C 72 29.049 29.976 -0.927 1
1 796 . 20 1 1 A 72 72 GLN N N 72 128.341 122.677 5.664 1
1 798 . 20 1 1 A 73 73 GLU H H 73 8.396 7.695 0.701 1
1 799 . 20 1 1 A 73 73 GLU HA H 73 4.389 4.886 -0.497 1
1 804 . 20 1 1 A 73 73 GLU CA C 73 55.341 54.677 0.664 1
1 805 . 20 1 1 A 73 73 GLU CB C 73 30.239 33.248 -3.009 1
1 807 . 20 1 1 A 73 73 GLU N N 73 123.309 121.060 2.249 1
1 808 . 20 1 1 A 74 74 ASN H H 74 8.921 8.686 0.235 1
1 809 . 20 1 1 A 74 74 ASN HA H 74 4.538 5.127 -0.589 1
1 814 . 20 1 1 A 74 74 ASN CA C 74 54.666 53.159 1.507 1
1 815 . 20 1 1 A 74 74 ASN CB C 74 38.301 38.943 -0.642 1
1 816 . 20 1 1 A 74 74 ASN N N 74 124.870 122.496 2.374 1
1 818 . 20 1 1 A 75 75 LYS H H 75 8.847 7.868 0.979 1
1 819 . 20 1 1 A 75 75 LYS HA H 75 4.442 4.583 -0.141 1
1 828 . 20 1 1 A 75 75 LYS CA C 75 54.327 55.467 -1.140 1
1 829 . 20 1 1 A 75 75 LYS CB C 75 30.837 33.422 -2.585 1
1 833 . 20 1 1 A 75 75 LYS N N 75 121.574 116.791 4.783 1
1 834 . 20 1 1 A 76 76 CYS H H 76 7.191 7.418 -0.227 1
1 835 . 20 1 1 A 76 76 CYS HA H 76 4.389 4.459 -0.070 1
1 838 . 20 1 1 A 76 76 CYS CA C 76 57.270 57.622 -0.352 1
1 839 . 20 1 1 A 76 76 CYS CB C 76 30.613 28.346 2.267 1
1 840 . 20 1 1 A 76 76 CYS N N 76 124.350 121.747 2.603 1
1 841 . 20 1 1 A 77 77 PRO HA H 77 4.673 4.504 0.169 1
1 848 . 20 1 1 A 77 77 PRO CA C 77 62.878 64.298 -1.420 1
1 849 . 20 1 1 A 77 77 PRO CB C 77 31.950 31.951 -0.001 1
1 852 . 20 1 1 A 78 78 VAL H H 78 8.974 7.751 1.223 1
1 853 . 20 1 1 A 78 78 VAL HA H 78 4.187 4.179 0.008 1
1 861 . 20 1 1 A 78 78 VAL CA C 78 61.637 61.021 0.616 1
1 862 . 20 1 1 A 78 78 VAL CB C 78 31.654 32.189 -0.535 1
1 865 . 20 1 1 A 78 78 VAL N N 78 128.688 119.580 9.108 1
1 866 . 20 1 1 A 79 79 PRO HA H 79 3.938 4.213 -0.275 1
1 873 . 20 1 1 A 79 79 PRO CA C 79 63.962 65.138 -1.176 1
1 874 . 20 1 1 A 79 79 PRO CB C 79 30.887 31.891 -1.004 1
1 877 . 20 1 1 A 80 80 PHE HA H 80 4.350 4.218 0.132 1
1 884 . 20 1 1 A 80 80 PHE CA C 80 59.032 60.431 -1.399 1
1 885 . 20 1 1 A 80 80 PHE CB C 80 37.686 37.890 -0.204 1
1 888 . 20 1 1 A 81 81 CYS H H 81 7.686 8.233 -0.547 1
1 889 . 20 1 1 A 81 81 CYS HA H 81 4.001 4.063 -0.062 1
1 892 . 20 1 1 A 81 81 CYS CA C 81 64.779 62.544 2.235 1
1 893 . 20 1 1 A 81 81 CYS CB C 81 29.524 25.974 3.550 1
1 894 . 20 1 1 A 81 81 CYS N N 81 124.176 118.713 5.463 1
1 895 . 20 1 1 A 82 82 LEU H H 82 8.267 8.152 0.115 1
1 896 . 20 1 1 A 82 82 LEU HA H 82 4.010 3.660 0.350 1
1 906 . 20 1 1 A 82 82 LEU CA C 82 58.340 58.029 0.311 1
1 907 . 20 1 1 A 82 82 LEU CB C 82 40.862 41.711 -0.849 1
1 911 . 20 1 1 A 82 82 LEU N N 82 114.980 121.382 -6.402 1
1 912 . 20 1 1 A 83 83 ASN H H 83 7.917 7.736 0.181 1
1 913 . 20 1 1 A 83 83 ASN HA H 83 4.490 4.387 0.103 1
1 918 . 20 1 1 A 83 83 ASN CA C 83 56.061 56.377 -0.316 1
1 919 . 20 1 1 A 83 83 ASN CB C 83 38.494 37.979 0.515 1
1 920 . 20 1 1 A 83 83 ASN N N 83 116.542 116.203 0.339 1
1 922 . 20 1 1 A 84 84 ILE H H 84 8.788 8.254 0.534 1
1 923 . 20 1 1 A 84 84 ILE HA H 84 3.734 3.766 -0.032 1
1 933 . 20 1 1 A 84 84 ILE CA C 84 65.142 64.984 0.158 1
1 934 . 20 1 1 A 84 84 ILE CB C 84 38.039 38.069 -0.030 1
1 938 . 20 1 1 A 84 84 ILE N N 84 121.747 120.433 1.314 1
1 939 . 20 1 1 A 85 85 LYS H H 85 8.954 8.444 0.510 1
1 940 . 20 1 1 A 85 85 LYS HA H 85 3.839 4.128 -0.289 1
1 949 . 20 1 1 A 85 85 LYS CA C 85 60.936 58.836 2.100 1
1 950 . 20 1 1 A 85 85 LYS CB C 85 32.041 32.123 -0.082 1
1 954 . 20 1 1 A 85 85 LYS N N 85 119.665 120.449 -0.784 1
1 955 . 20 1 1 A 86 86 HIS H H 86 8.043 7.963 0.080 1
1 956 . 20 1 1 A 86 86 HIS HA H 86 4.411 4.356 0.055 1
1 960 . 20 1 1 A 86 86 HIS CA C 86 58.746 59.872 -1.126 1
1 961 . 20 1 1 A 86 86 HIS CB C 86 30.067 30.238 -0.171 1
1 963 . 20 1 1 A 86 86 HIS N N 86 116.542 118.814 -2.272 1
1 964 . 20 1 1 A 87 87 LYS H H 87 7.822 7.637 0.185 1
1 965 . 20 1 1 A 87 87 LYS HA H 87 4.158 4.173 -0.015 1
1 968 . 20 1 1 A 87 87 LYS CA C 87 57.879 58.367 -0.488 1
1 969 . 20 1 1 A 87 87 LYS N N 87 119.318 120.443 -1.125 1
1 970 . 20 1 1 A 88 88 LEU H H 88 8.405 8.589 -0.184 1
1 971 . 20 1 1 A 88 88 LEU HA H 88 4.194 4.049 0.145 1
1 981 . 20 1 1 A 88 88 LEU CA C 88 56.289 57.466 -1.177 1
1 982 . 20 1 1 A 88 88 LEU CB C 88 41.692 40.910 0.782 1
1 986 . 20 1 1 A 88 88 LEU N N 88 119.144 119.865 -0.721 1
1 987 . 20 1 1 A 89 89 ARG H H 89 7.826 9.089 -1.263 1
1 988 . 20 1 1 A 89 89 ARG HA H 89 4.271 4.118 0.153 1
1 995 . 20 1 1 A 89 89 ARG CA C 89 56.666 58.507 -1.841 1
1 996 . 20 1 1 A 89 89 ARG CB C 89 29.965 29.870 0.095 1
1 999 . 20 1 1 A 89 89 ARG N N 89 118.450 118.126 0.324 1
1 1000 . 20 1 1 A 90 90 GLN H H 90 7.935 8.125 -0.190 1
1 1001 . 20 1 1 A 90 90 GLN HA H 90 4.270 4.296 -0.026 1
1 1008 . 20 1 1 A 90 90 GLN CA C 90 55.840 56.593 -0.753 1
1 1009 . 20 1 1 A 90 90 GLN CB C 90 28.989 29.081 -0.092 1
1 1011 . 20 1 1 A 90 90 GLN N N 90 119.318 117.655 1.663 1
1 1013 . 20 1 1 A 91 91 GLN H H 91 8.141 7.956 0.185 1
1 1014 . 20 1 1 A 91 91 GLN HA H 91 4.352 4.470 -0.118 1
1 1021 . 20 1 1 A 91 91 GLN CA C 91 55.581 55.700 -0.119 1
1 1022 . 20 1 1 A 91 91 GLN CB C 91 29.284 31.141 -1.857 1
1 1024 . 20 1 1 A 91 91 GLN N N 91 120.706 116.616 4.090 1
1 1043 . 20 2 2 B 2 2 SER CB C 707 63.646 63.182 0.464 1
1 1044 . 20 2 2 B 3 3 HIS HA H 708 4.663 5.250 -0.587 1
1 1047 . 20 2 2 B 3 3 HIS CA C 708 56.033 54.697 1.336 1
1 1048 . 20 2 2 B 3 3 HIS CB C 708 30.146 33.974 -3.828 1
1 1053 . 20 2 2 B 5 5 SER H H 710 8.437 8.566 -0.129 1
1 1054 . 20 2 2 B 5 5 SER HA H 710 4.429 5.476 -1.047 1
1 1057 . 20 2 2 B 5 5 SER CA C 710 58.340 57.366 0.974 1
1 1058 . 20 2 2 B 5 5 SER CB C 710 63.416 66.117 -2.701 1
1 1059 . 20 2 2 B 5 5 SER N N 710 117.160 115.489 1.671 1
1 1060 . 20 2 2 B 6 6 GLU H H 711 8.458 8.797 -0.339 1
1 1061 . 20 2 2 B 6 6 GLU HA H 711 4.311 4.919 -0.608 1
1 1066 . 20 2 2 B 6 6 GLU CA C 711 56.033 54.916 1.117 1
1 1067 . 20 2 2 B 6 6 GLU CB C 711 30.223 33.097 -2.874 1
1 1069 . 20 2 2 B 6 6 GLU N N 711 123.053 119.459 3.594 1
1 1070 . 20 2 2 B 7 7 VAL H H 712 8.150 8.608 -0.458 1
1 1071 . 20 2 2 B 7 7 VAL HA H 712 4.050 3.582 0.468 1
1 1079 . 20 2 2 B 7 7 VAL CA C 712 61.801 63.348 -1.547 1
1 1080 . 20 2 2 B 7 7 VAL CB C 712 32.041 30.102 1.939 1
1 1083 . 20 2 2 B 7 7 VAL N N 712 121.173 117.410 3.763 1
1 1084 . 20 2 2 B 8 8 HIS H H 713 8.495 8.095 0.400 1
1 1085 . 20 2 2 B 8 8 HIS HA H 713 4.914 5.032 -0.118 1
1 1089 . 20 2 2 B 8 8 HIS CA C 713 53.945 53.404 0.541 1
1 1090 . 20 2 2 B 8 8 HIS CB C 713 30.218 29.763 0.455 1
1 1092 . 20 2 2 B 8 8 HIS N N 713 125.310 119.704 5.606 1
1 1093 . 20 2 2 B 9 9 PRO HA H 714 4.430 4.732 -0.302 1
1 1100 . 20 2 2 B 9 9 PRO CA C 714 63.409 62.393 1.016 1
1 1101 . 20 2 2 B 9 9 PRO CB C 714 32.018 33.475 -1.457 1
1 1104 . 20 2 2 B 10 10 SER H H 715 8.889 8.420 0.469 1
1 1105 . 20 2 2 B 10 10 SER HA H 715 4.437 4.360 0.077 1
1 1108 . 20 2 2 B 10 10 SER CA C 715 58.571 59.682 -1.111 1
1 1109 . 20 2 2 B 10 10 SER CB C 715 63.213 63.599 -0.386 1
1 1110 . 20 2 2 B 10 10 SER N N 715 116.533 113.000 3.533 1
1 1111 . 20 2 2 B 11 11 ARG H H 716 8.442 7.633 0.809 1
1 1112 . 20 2 2 B 11 11 ARG HA H 716 4.388 4.797 -0.409 1
1 1119 . 20 2 2 B 11 11 ARG CA C 716 55.882 55.661 0.221 1
1 1120 . 20 2 2 B 11 11 ARG CB C 716 30.395 33.832 -3.437 1
1 1123 . 20 2 2 B 11 11 ARG N N 716 122.803 120.028 2.775 1
1 1124 . 20 2 2 B 12 12 LEU H H 717 8.133 8.816 -0.683 1
1 1125 . 20 2 2 B 12 12 LEU HA H 717 4.356 4.500 -0.144 1
1 1135 . 20 2 2 B 12 12 LEU CA C 717 54.880 53.484 1.396 1
1 1136 . 20 2 2 B 12 12 LEU CB C 717 42.081 43.200 -1.119 1
1 1140 . 20 2 2 B 12 12 LEU N N 717 122.552 125.766 -3.214 1
1 1141 . 20 2 2 B 13 13 GLN H H 718 8.440 8.702 -0.262 1
1 1142 . 20 2 2 B 13 13 GLN HA H 718 4.454 3.848 0.606 1
1 1149 . 20 2 2 B 13 13 GLN CA C 718 55.341 57.244 -1.903 1
1 1150 . 20 2 2 B 13 13 GLN CB C 718 29.285 26.585 2.700 1
1 1152 . 20 2 2 B 13 13 GLN N N 718 121.298 119.322 1.976 1
1 1154 . 20 2 2 B 14 14 THR H H 719 8.257 7.786 0.471 1
1 1155 . 20 2 2 B 14 14 THR HA H 719 4.438 4.684 -0.246 1
1 1160 . 20 2 2 B 14 14 THR CA C 719 61.339 60.187 1.152 1
1 1161 . 20 2 2 B 14 14 THR CB C 719 69.456 68.554 0.902 1
1 1163 . 20 2 2 B 14 14 THR N N 719 115.154 108.013 7.141 1
1 1164 . 20 2 2 B 15 15 THR H H 720 8.240 8.059 0.181 1
1 1165 . 20 2 2 B 15 15 THR HA H 720 4.275 4.187 0.088 1
1 1170 . 20 2 2 B 15 15 THR CA C 720 61.967 63.384 -1.417 1
1 1171 . 20 2 2 B 15 15 THR CB C 720 69.183 68.123 1.060 1
1 1173 . 20 2 2 B 15 15 THR N N 720 115.029 116.771 -1.742 1
1 1174 . 20 2 2 B 16 16 ASP H H 721 8.293 8.658 -0.365 1
1 1175 . 20 2 2 B 16 16 ASP HA H 721 4.494 4.976 -0.482 1
1 1178 . 20 2 2 B 16 16 ASP CA C 721 54.880 53.645 1.235 1
1 1179 . 20 2 2 B 16 16 ASP CB C 721 40.891 43.644 -2.753 1
1 1180 . 20 2 2 B 16 16 ASP N N 721 122.427 121.537 0.890 1
1 1181 . 20 2 2 B 17 17 ASN H H 722 8.272 8.220 0.052 1
1 1182 . 20 2 2 B 17 17 ASN HA H 722 4.577 4.902 -0.325 1
1 1187 . 20 2 2 B 17 17 ASN CA C 722 53.330 53.543 -0.213 1
1 1188 . 20 2 2 B 17 17 ASN CB C 722 38.332 39.959 -1.627 1
1 1189 . 20 2 2 B 17 17 ASN N N 722 118.916 116.465 2.451 1
1 1191 . 20 2 2 B 18 18 LEU H H 723 8.204 7.243 0.961 1
1 1192 . 20 2 2 B 18 18 LEU HA H 723 4.191 4.087 0.104 1
1 1202 . 20 2 2 B 18 18 LEU CA C 723 54.200 57.841 -3.641 1
1 1203 . 20 2 2 B 18 18 LEU CB C 723 43.545 41.236 2.309 1
1 1207 . 20 2 2 B 18 18 LEU N N 723 121.173 118.846 2.327 1
1 1208 . 20 2 2 B 19 19 LEU H H 724 7.416 7.548 -0.132 1
1 1209 . 20 2 2 B 19 19 LEU HA H 724 4.273 4.326 -0.053 1
1 1219 . 20 2 2 B 19 19 LEU CA C 724 52.415 54.000 -1.585 1
1 1220 . 20 2 2 B 19 19 LEU CB C 724 40.471 42.036 -1.565 1
1 1224 . 20 2 2 B 19 19 LEU N N 724 117.286 121.523 -4.237 1
1 1225 . 20 2 2 B 20 20 PRO HA H 725 4.271 4.497 -0.226 1
1 1232 . 20 2 2 B 20 20 PRO CA C 725 63.877 64.119 -0.242 1
1 1233 . 20 2 2 B 20 20 PRO CB C 725 32.716 31.867 0.849 1
1 1236 . 20 2 2 B 21 21 MET H H 726 8.932 7.593 1.339 1
1 1237 . 20 2 2 B 21 21 MET HA H 726 4.841 4.827 0.014 1
1 1245 . 20 2 2 B 21 21 MET CA C 726 54.199 54.400 -0.201 1
1 1246 . 20 2 2 B 21 21 MET CB C 726 36.939 36.119 0.820 1
1 1249 . 20 2 2 B 21 21 MET N N 726 116.784 118.846 -2.062 1
1 1250 . 20 2 2 B 22 22 SER H H 727 8.956 8.958 -0.002 1
1 1251 . 20 2 2 B 22 22 SER HA H 727 4.771 4.941 -0.170 1
1 1254 . 20 2 2 B 22 22 SER CA C 727 56.255 56.666 -0.411 1
1 1255 . 20 2 2 B 22 22 SER CB C 727 62.528 63.242 -0.714 1
1 1256 . 20 2 2 B 22 22 SER N N 727 119.167 117.181 1.986 1
1 1257 . 20 2 2 B 23 23 PRO HA H 728 4.312 4.443 -0.131 1
1 1264 . 20 2 2 B 23 23 PRO CA C 728 65.953 64.657 1.296 1
1 1265 . 20 2 2 B 23 23 PRO CB C 728 31.810 32.150 -0.340 1
1 1268 . 20 2 2 B 24 24 GLU H H 729 8.877 8.191 0.686 1
1 1269 . 20 2 2 B 24 24 GLU HA H 729 4.163 4.103 0.060 1
1 1274 . 20 2 2 B 24 24 GLU CA C 729 59.748 59.670 0.078 1
1 1275 . 20 2 2 B 24 24 GLU CB C 729 28.819 29.063 -0.244 1
1 1277 . 20 2 2 B 24 24 GLU N N 729 116.283 118.185 -1.902 1
1 1278 . 20 2 2 B 25 25 GLU H H 730 7.789 7.720 0.069 1
1 1279 . 20 2 2 B 25 25 GLU HA H 730 3.787 4.014 -0.227 1
1 1284 . 20 2 2 B 25 25 GLU CA C 730 59.266 58.970 0.296 1
1 1285 . 20 2 2 B 25 25 GLU CB C 730 29.501 29.682 -0.181 1
1 1287 . 20 2 2 B 25 25 GLU N N 730 121.298 120.685 0.613 1
1 1288 . 20 2 2 B 26 26 PHE H H 731 8.730 8.611 0.119 1
1 1289 . 20 2 2 B 26 26 PHE HA H 731 4.364 4.176 0.188 1
1 1296 . 20 2 2 B 26 26 PHE CA C 731 59.724 61.432 -1.708 1
1 1297 . 20 2 2 B 26 26 PHE CB C 731 38.230 39.352 -1.122 1
1 1300 . 20 2 2 B 26 26 PHE N N 731 119.543 121.434 -1.891 1
1 1301 . 20 2 2 B 27 27 ASP H H 732 8.587 8.380 0.207 1
1 1302 . 20 2 2 B 27 27 ASP HA H 732 4.097 4.349 -0.252 1
1 1305 . 20 2 2 B 27 27 ASP CA C 732 57.256 58.018 -0.762 1
1 1306 . 20 2 2 B 27 27 ASP CB C 732 40.421 41.549 -1.128 1
1 1307 . 20 2 2 B 27 27 ASP N N 732 121.549 118.590 2.959 1
1 1308 . 20 2 2 B 28 28 GLU H H 733 7.383 7.606 -0.223 1
1 1309 . 20 2 2 B 28 28 GLU HA H 733 4.155 4.089 0.066 1
1 1314 . 20 2 2 B 28 28 GLU CA C 733 58.749 58.787 -0.038 1
1 1315 . 20 2 2 B 28 28 GLU CB C 733 28.933 29.201 -0.268 1
1 1317 . 20 2 2 B 28 28 GLU N N 733 119.793 119.672 0.121 1
1 1318 . 20 2 2 B 29 29 VAL H H 734 8.246 7.803 0.443 1
1 1319 . 20 2 2 B 29 29 VAL HA H 734 3.595 3.446 0.149 1
1 1327 . 20 2 2 B 29 29 VAL CA C 734 66.219 66.209 0.010 1
1 1328 . 20 2 2 B 29 29 VAL CB C 734 31.362 31.469 -0.107 1
1 1331 . 20 2 2 B 29 29 VAL N N 734 118.540 121.073 -2.533 1
1 1332 . 20 2 2 B 30 30 SER H H 735 8.384 8.248 0.136 1
1 1333 . 20 2 2 B 30 30 SER HA H 735 3.912 3.684 0.228 1
1 1336 . 20 2 2 B 30 30 SER CA C 735 61.703 61.225 0.478 1
1 1337 . 20 2 2 B 30 30 SER CB C 735 62.059 62.602 -0.543 1
1 1338 . 20 2 2 B 30 30 SER N N 735 115.154 114.895 0.259 1
1 1339 . 20 2 2 B 31 31 ARG H H 736 7.683 7.980 -0.297 1
1 1340 . 20 2 2 B 31 31 ARG HA H 736 4.027 4.069 -0.042 1
1 1348 . 20 2 2 B 31 31 ARG CA C 736 58.571 58.569 0.002 1
1 1349 . 20 2 2 B 31 31 ARG CB C 736 30.068 29.936 0.132 1
1 1352 . 20 2 2 B 31 31 ARG N N 736 121.549 120.935 0.614 1
1 1354 . 20 2 2 B 32 32 ILE H H 737 7.703 7.241 0.462 1
1 1355 . 20 2 2 B 32 32 ILE HA H 737 3.859 3.892 -0.033 1
1 1365 . 20 2 2 B 32 32 ILE CA C 737 63.445 63.905 -0.460 1
1 1366 . 20 2 2 B 32 32 ILE CB C 737 38.332 38.043 0.289 1
1 1370 . 20 2 2 B 32 32 ILE N N 737 119.167 119.739 -0.572 1
1 1371 . 20 2 2 B 33 33 VAL H H 738 8.293 7.873 0.420 1
1 1372 . 20 2 2 B 33 33 VAL HA H 738 3.901 3.692 0.209 1
1 1380 . 20 2 2 B 33 33 VAL CA C 738 63.805 65.366 -1.561 1
1 1381 . 20 2 2 B 33 33 VAL CB C 738 32.408 31.646 0.762 1
1 1384 . 20 2 2 B 33 33 VAL N N 738 116.157 120.030 -3.873 1
1 1385 . 20 2 2 B 34 34 GLY H H 739 7.868 7.856 0.012 1
1 1386 . 20 2 2 B 34 34 GLY HA2 H 739 3.813 3.827 -0.014 1
1 1387 . 20 2 2 B 34 34 GLY HA3 H 739 4.120 3.851 0.269 1
1 1388 . 20 2 2 B 34 34 GLY CA C 739 44.831 46.597 -1.766 1
1 1389 . 20 2 2 B 34 34 GLY N N 739 108.258 110.445 -2.187 1
1 1390 . 20 2 2 B 35 35 SER H H 740 8.366 8.141 0.225 1
1 1391 . 20 2 2 B 35 35 SER HA H 740 4.389 3.835 0.554 1
1 1394 . 20 2 2 B 35 35 SER CA C 740 58.261 59.080 -0.819 1
1 1395 . 20 2 2 B 35 35 SER CB C 740 62.663 61.615 1.048 1
1 1396 . 20 2 2 B 35 35 SER N N 740 116.408 108.721 7.687 1
1 1397 . 20 2 2 B 36 36 VAL H H 741 7.897 7.549 0.348 1
1 1398 . 20 2 2 B 36 36 VAL HA H 741 4.054 3.830 0.224 1
1 1406 . 20 2 2 B 36 36 VAL CA C 741 61.737 65.950 -4.213 1
1 1407 . 20 2 2 B 36 36 VAL CB C 741 33.084 31.594 1.490 1
1 1410 . 20 2 2 B 36 36 VAL N N 741 122.928 119.286 3.642 1
1 1411 . 20 2 2 B 37 37 GLU H H 742 8.468 8.055 0.413 1
1 1412 . 20 2 2 B 37 37 GLU HA H 742 4.306 4.698 -0.392 1
1 1417 . 20 2 2 B 37 37 GLU CA C 742 55.803 55.887 -0.084 1
1 1418 . 20 2 2 B 37 37 GLU CB C 742 29.029 30.926 -1.897 1
1 1420 . 20 2 2 B 37 37 GLU N N 742 124.057 119.375 4.682 1
1 1421 . 20 2 2 B 38 38 PHE H H 743 8.222 7.668 0.554 1
1 1422 . 20 2 2 B 38 38 PHE HA H 743 4.360 4.023 0.337 1
1 1429 . 20 2 2 B 38 38 PHE CA C 743 59.263 61.789 -2.526 1
1 1430 . 20 2 2 B 38 38 PHE CB C 743 39.524 39.386 0.138 1
1 1433 . 20 2 2 B 38 38 PHE N N 743 122.427 121.834 0.593 1
1 1434 . 20 2 2 B 39 39 ASP H H 744 8.602 8.443 0.159 1
1 1435 . 20 2 2 B 39 39 ASP HA H 744 4.380 4.357 0.023 1
1 1438 . 20 2 2 B 39 39 ASP CA C 744 56.495 56.743 -0.248 1
1 1439 . 20 2 2 B 39 39 ASP CB C 744 40.119 40.841 -0.722 1
1 1440 . 20 2 2 B 39 39 ASP N N 744 120.044 119.875 0.169 1
1 1441 . 20 2 2 B 40 40 SER H H 745 8.143 8.254 -0.111 1
1 1442 . 20 2 2 B 40 40 SER HA H 745 4.328 4.284 0.044 1
1 1445 . 20 2 2 B 40 40 SER CA C 745 59.724 60.332 -0.608 1
1 1446 . 20 2 2 B 40 40 SER CB C 745 62.723 63.174 -0.451 1
1 1447 . 20 2 2 B 40 40 SER N N 745 114.527 114.277 0.250 1
1 1448 . 20 2 2 B 41 41 MET H H 746 7.930 7.836 0.094 1
1 1449 . 20 2 2 B 41 41 MET HA H 746 4.374 4.273 0.101 1
1 1457 . 20 2 2 B 41 41 MET CA C 746 56.244 57.828 -1.584 1
1 1458 . 20 2 2 B 41 41 MET CB C 746 32.502 31.300 1.202 1
1 1461 . 20 2 2 B 41 41 MET N N 746 120.044 119.684 0.360 1
1 1462 . 20 2 2 B 42 42 MET H H 747 7.784 8.019 -0.235 1
1 1463 . 20 2 2 B 42 42 MET HA H 747 4.232 4.343 -0.111 1
1 1471 . 20 2 2 B 42 42 MET CA C 747 55.830 57.048 -1.218 1
1 1472 . 20 2 2 B 42 42 MET CB C 747 32.502 32.314 0.188 1
1 1475 . 20 2 2 B 42 42 MET N N 747 117.035 116.134 0.901 1
1 1476 . 20 2 2 B 43 43 ASN H H 748 7.960 7.680 0.280 1
1 1477 . 20 2 2 B 43 43 ASN HA H 748 4.831 5.147 -0.316 1
1 1482 . 20 2 2 B 43 43 ASN CA C 748 53.146 52.486 0.660 1
1 1483 . 20 2 2 B 43 43 ASN CB C 748 38.795 42.409 -3.614 1
1 1484 . 20 2 2 B 43 43 ASN N N 748 117.537 116.965 0.572 1
1 1486 . 20 2 2 B 44 44 THR H H 749 8.039 8.741 -0.702 1
1 1487 . 20 2 2 B 44 44 THR HA H 749 4.432 4.615 -0.183 1
1 1492 . 20 2 2 B 44 44 THR CA C 749 61.570 61.312 0.258 1
1 1493 . 20 2 2 B 44 44 THR CB C 749 69.644 70.638 -0.994 1
1 1495 . 20 2 2 B 44 44 THR N N 749 114.026 117.972 -3.946 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 89 1.193 1
3 1 1 1 "RMS(OBS, PRED)" CB 85 1.139 1
4 1 1 1 "RMS(OBS, PRED)" H 84 0.497 1
5 1 1 1 "RMS(OBS, PRED)" HA 93 0.196 1
6 1 1 1 "RMS(OBS, PRED)" N 83 2.982 1
7 1 1 2 "RMS(OBS, PRED)" C 0 0.000 1
8 1 1 2 "RMS(OBS, PRED)" CA 41 1.497 1
9 1 1 2 "RMS(OBS, PRED)" CB 41 1.495 1
10 1 1 2 "RMS(OBS, PRED)" H 37 0.436 1
11 1 1 2 "RMS(OBS, PRED)" HA 42 0.278 1
12 1 1 2 "RMS(OBS, PRED)" N 37 2.992 1
13 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 2 1 "RMS(OBS, PRED)" CA 89 1.364 1
15 1 2 1 "RMS(OBS, PRED)" CB 85 1.156 1
16 1 2 1 "RMS(OBS, PRED)" H 84 0.464 1
17 1 2 1 "RMS(OBS, PRED)" HA 93 0.214 1
18 1 2 1 "RMS(OBS, PRED)" N 83 2.989 1
19 1 2 2 "RMS(OBS, PRED)" C 0 0.000 1
20 1 2 2 "RMS(OBS, PRED)" CA 41 1.737 1
21 1 2 2 "RMS(OBS, PRED)" CB 41 1.511 1
22 1 2 2 "RMS(OBS, PRED)" H 37 0.407 1
23 1 2 2 "RMS(OBS, PRED)" HA 42 0.275 1
24 1 2 2 "RMS(OBS, PRED)" N 37 2.372 1
25 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 3 1 "RMS(OBS, PRED)" CA 89 1.295 1
27 1 3 1 "RMS(OBS, PRED)" CB 85 1.132 1
28 1 3 1 "RMS(OBS, PRED)" H 84 0.464 1
29 1 3 1 "RMS(OBS, PRED)" HA 93 0.203 1
30 1 3 1 "RMS(OBS, PRED)" N 83 3.001 1
31 1 3 2 "RMS(OBS, PRED)" C 0 0.000 1
32 1 3 2 "RMS(OBS, PRED)" CA 41 1.595 1
33 1 3 2 "RMS(OBS, PRED)" CB 41 1.414 1
34 1 3 2 "RMS(OBS, PRED)" H 37 0.484 1
35 1 3 2 "RMS(OBS, PRED)" HA 42 0.280 1
36 1 3 2 "RMS(OBS, PRED)" N 37 2.683 1
37 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 4 1 "RMS(OBS, PRED)" CA 89 1.296 1
39 1 4 1 "RMS(OBS, PRED)" CB 85 1.135 1
40 1 4 1 "RMS(OBS, PRED)" H 84 0.508 1
41 1 4 1 "RMS(OBS, PRED)" HA 93 0.204 1
42 1 4 1 "RMS(OBS, PRED)" N 83 2.969 1
43 1 4 2 "RMS(OBS, PRED)" C 0 0.000 1
44 1 4 2 "RMS(OBS, PRED)" CA 41 1.540 1
45 1 4 2 "RMS(OBS, PRED)" CB 41 1.542 1
46 1 4 2 "RMS(OBS, PRED)" H 37 0.439 1
47 1 4 2 "RMS(OBS, PRED)" HA 42 0.328 1
48 1 4 2 "RMS(OBS, PRED)" N 37 2.594 1
49 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 5 1 "RMS(OBS, PRED)" CA 89 1.235 1
51 1 5 1 "RMS(OBS, PRED)" CB 85 1.169 1
52 1 5 1 "RMS(OBS, PRED)" H 84 0.507 1
53 1 5 1 "RMS(OBS, PRED)" HA 93 0.205 1
54 1 5 1 "RMS(OBS, PRED)" N 83 3.055 1
55 1 5 2 "RMS(OBS, PRED)" C 0 0.000 1
56 1 5 2 "RMS(OBS, PRED)" CA 41 1.792 1
57 1 5 2 "RMS(OBS, PRED)" CB 41 1.146 1
58 1 5 2 "RMS(OBS, PRED)" H 37 0.481 1
59 1 5 2 "RMS(OBS, PRED)" HA 42 0.271 1
60 1 5 2 "RMS(OBS, PRED)" N 37 3.051 1
61 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 6 1 "RMS(OBS, PRED)" CA 89 1.231 1
63 1 6 1 "RMS(OBS, PRED)" CB 85 1.188 1
64 1 6 1 "RMS(OBS, PRED)" H 84 0.487 1
65 1 6 1 "RMS(OBS, PRED)" HA 93 0.207 1
66 1 6 1 "RMS(OBS, PRED)" N 83 3.105 1
67 1 6 2 "RMS(OBS, PRED)" C 0 0.000 1
68 1 6 2 "RMS(OBS, PRED)" CA 41 1.719 1
69 1 6 2 "RMS(OBS, PRED)" CB 41 1.426 1
70 1 6 2 "RMS(OBS, PRED)" H 37 0.479 1
71 1 6 2 "RMS(OBS, PRED)" HA 42 0.260 1
72 1 6 2 "RMS(OBS, PRED)" N 37 2.965 1
73 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 7 1 "RMS(OBS, PRED)" CA 89 1.256 1
75 1 7 1 "RMS(OBS, PRED)" CB 85 1.137 1
76 1 7 1 "RMS(OBS, PRED)" H 84 0.463 1
77 1 7 1 "RMS(OBS, PRED)" HA 93 0.201 1
78 1 7 1 "RMS(OBS, PRED)" N 83 3.040 1
79 1 7 2 "RMS(OBS, PRED)" C 0 0.000 1
80 1 7 2 "RMS(OBS, PRED)" CA 41 1.734 1
81 1 7 2 "RMS(OBS, PRED)" CB 41 1.474 1
82 1 7 2 "RMS(OBS, PRED)" H 37 0.487 1
83 1 7 2 "RMS(OBS, PRED)" HA 42 0.312 1
84 1 7 2 "RMS(OBS, PRED)" N 37 2.879 1
85 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 8 1 "RMS(OBS, PRED)" CA 89 1.210 1
87 1 8 1 "RMS(OBS, PRED)" CB 85 1.101 1
88 1 8 1 "RMS(OBS, PRED)" H 84 0.495 1
89 1 8 1 "RMS(OBS, PRED)" HA 93 0.203 1
90 1 8 1 "RMS(OBS, PRED)" N 83 2.986 1
91 1 8 2 "RMS(OBS, PRED)" C 0 0.000 1
92 1 8 2 "RMS(OBS, PRED)" CA 41 1.631 1
93 1 8 2 "RMS(OBS, PRED)" CB 41 1.135 1
94 1 8 2 "RMS(OBS, PRED)" H 37 0.510 1
95 1 8 2 "RMS(OBS, PRED)" HA 42 0.247 1
96 1 8 2 "RMS(OBS, PRED)" N 37 3.128 1
97 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 9 1 "RMS(OBS, PRED)" CA 89 1.206 1
99 1 9 1 "RMS(OBS, PRED)" CB 85 1.144 1
100 1 9 1 "RMS(OBS, PRED)" H 84 0.536 1
101 1 9 1 "RMS(OBS, PRED)" HA 93 0.208 1
102 1 9 1 "RMS(OBS, PRED)" N 83 2.979 1
103 1 9 2 "RMS(OBS, PRED)" C 0 0.000 1
104 1 9 2 "RMS(OBS, PRED)" CA 41 1.573 1
105 1 9 2 "RMS(OBS, PRED)" CB 41 1.365 1
106 1 9 2 "RMS(OBS, PRED)" H 37 0.471 1
107 1 9 2 "RMS(OBS, PRED)" HA 42 0.299 1
108 1 9 2 "RMS(OBS, PRED)" N 37 3.008 1
109 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 10 1 "RMS(OBS, PRED)" CA 89 1.261 1
111 1 10 1 "RMS(OBS, PRED)" CB 85 1.128 1
112 1 10 1 "RMS(OBS, PRED)" H 84 0.489 1
113 1 10 1 "RMS(OBS, PRED)" HA 93 0.198 1
114 1 10 1 "RMS(OBS, PRED)" N 83 2.971 1
115 1 10 2 "RMS(OBS, PRED)" C 0 0.000 1
116 1 10 2 "RMS(OBS, PRED)" CA 41 1.576 1
117 1 10 2 "RMS(OBS, PRED)" CB 41 1.341 1
118 1 10 2 "RMS(OBS, PRED)" H 37 0.492 1
119 1 10 2 "RMS(OBS, PRED)" HA 42 0.236 1
120 1 10 2 "RMS(OBS, PRED)" N 37 2.768 1
121 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
122 1 11 1 "RMS(OBS, PRED)" CA 89 1.196 1
123 1 11 1 "RMS(OBS, PRED)" CB 85 1.208 1
124 1 11 1 "RMS(OBS, PRED)" H 84 0.499 1
125 1 11 1 "RMS(OBS, PRED)" HA 93 0.199 1
126 1 11 1 "RMS(OBS, PRED)" N 83 3.194 1
127 1 11 2 "RMS(OBS, PRED)" C 0 0.000 1
128 1 11 2 "RMS(OBS, PRED)" CA 41 1.957 1
129 1 11 2 "RMS(OBS, PRED)" CB 41 1.406 1
130 1 11 2 "RMS(OBS, PRED)" H 37 0.421 1
131 1 11 2 "RMS(OBS, PRED)" HA 42 0.300 1
132 1 11 2 "RMS(OBS, PRED)" N 37 2.987 1
133 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
134 1 12 1 "RMS(OBS, PRED)" CA 89 1.222 1
135 1 12 1 "RMS(OBS, PRED)" CB 85 1.137 1
136 1 12 1 "RMS(OBS, PRED)" H 84 0.484 1
137 1 12 1 "RMS(OBS, PRED)" HA 93 0.197 1
138 1 12 1 "RMS(OBS, PRED)" N 83 2.986 1
139 1 12 2 "RMS(OBS, PRED)" C 0 0.000 1
140 1 12 2 "RMS(OBS, PRED)" CA 41 1.504 1
141 1 12 2 "RMS(OBS, PRED)" CB 41 1.231 1
142 1 12 2 "RMS(OBS, PRED)" H 37 0.456 1
143 1 12 2 "RMS(OBS, PRED)" HA 42 0.247 1
144 1 12 2 "RMS(OBS, PRED)" N 37 2.995 1
145 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
146 1 13 1 "RMS(OBS, PRED)" CA 89 1.296 1
147 1 13 1 "RMS(OBS, PRED)" CB 85 1.169 1
148 1 13 1 "RMS(OBS, PRED)" H 84 0.541 1
149 1 13 1 "RMS(OBS, PRED)" HA 93 0.209 1
150 1 13 1 "RMS(OBS, PRED)" N 83 3.124 1
151 1 13 2 "RMS(OBS, PRED)" C 0 0.000 1
152 1 13 2 "RMS(OBS, PRED)" CA 41 1.574 1
153 1 13 2 "RMS(OBS, PRED)" CB 41 1.656 1
154 1 13 2 "RMS(OBS, PRED)" H 37 0.457 1
155 1 13 2 "RMS(OBS, PRED)" HA 42 0.281 1
156 1 13 2 "RMS(OBS, PRED)" N 37 2.833 1
157 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
158 1 14 1 "RMS(OBS, PRED)" CA 89 1.264 1
159 1 14 1 "RMS(OBS, PRED)" CB 85 1.135 1
160 1 14 1 "RMS(OBS, PRED)" H 84 0.471 1
161 1 14 1 "RMS(OBS, PRED)" HA 93 0.204 1
162 1 14 1 "RMS(OBS, PRED)" N 83 3.080 1
163 1 14 2 "RMS(OBS, PRED)" C 0 0.000 1
164 1 14 2 "RMS(OBS, PRED)" CA 41 1.571 1
165 1 14 2 "RMS(OBS, PRED)" CB 41 1.684 1
166 1 14 2 "RMS(OBS, PRED)" H 37 0.551 1
167 1 14 2 "RMS(OBS, PRED)" HA 42 0.291 1
168 1 14 2 "RMS(OBS, PRED)" N 37 2.955 1
169 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
170 1 15 1 "RMS(OBS, PRED)" CA 89 1.207 1
171 1 15 1 "RMS(OBS, PRED)" CB 85 1.124 1
172 1 15 1 "RMS(OBS, PRED)" H 84 0.479 1
173 1 15 1 "RMS(OBS, PRED)" HA 93 0.201 1
174 1 15 1 "RMS(OBS, PRED)" N 83 2.962 1
175 1 15 2 "RMS(OBS, PRED)" C 0 0.000 1
176 1 15 2 "RMS(OBS, PRED)" CA 41 1.620 1
177 1 15 2 "RMS(OBS, PRED)" CB 41 1.570 1
178 1 15 2 "RMS(OBS, PRED)" H 37 0.472 1
179 1 15 2 "RMS(OBS, PRED)" HA 42 0.246 1
180 1 15 2 "RMS(OBS, PRED)" N 37 2.508 1
181 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
182 1 16 1 "RMS(OBS, PRED)" CA 89 1.233 1
183 1 16 1 "RMS(OBS, PRED)" CB 85 1.140 1
184 1 16 1 "RMS(OBS, PRED)" H 84 0.482 1
185 1 16 1 "RMS(OBS, PRED)" HA 93 0.204 1
186 1 16 1 "RMS(OBS, PRED)" N 83 3.005 1
187 1 16 2 "RMS(OBS, PRED)" C 0 0.000 1
188 1 16 2 "RMS(OBS, PRED)" CA 41 1.524 1
189 1 16 2 "RMS(OBS, PRED)" CB 41 1.513 1
190 1 16 2 "RMS(OBS, PRED)" H 37 0.441 1
191 1 16 2 "RMS(OBS, PRED)" HA 42 0.258 1
192 1 16 2 "RMS(OBS, PRED)" N 37 2.765 1
193 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
194 1 17 1 "RMS(OBS, PRED)" CA 89 1.260 1
195 1 17 1 "RMS(OBS, PRED)" CB 85 1.137 1
196 1 17 1 "RMS(OBS, PRED)" H 84 0.501 1
197 1 17 1 "RMS(OBS, PRED)" HA 93 0.203 1
198 1 17 1 "RMS(OBS, PRED)" N 83 2.974 1
199 1 17 2 "RMS(OBS, PRED)" C 0 0.000 1
200 1 17 2 "RMS(OBS, PRED)" CA 41 1.685 1
201 1 17 2 "RMS(OBS, PRED)" CB 41 1.215 1
202 1 17 2 "RMS(OBS, PRED)" H 37 0.504 1
203 1 17 2 "RMS(OBS, PRED)" HA 42 0.237 1
204 1 17 2 "RMS(OBS, PRED)" N 37 2.984 1
205 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
206 1 18 1 "RMS(OBS, PRED)" CA 89 1.227 1
207 1 18 1 "RMS(OBS, PRED)" CB 85 1.106 1
208 1 18 1 "RMS(OBS, PRED)" H 84 0.492 1
209 1 18 1 "RMS(OBS, PRED)" HA 93 0.196 1
210 1 18 1 "RMS(OBS, PRED)" N 83 2.979 1
211 1 18 2 "RMS(OBS, PRED)" C 0 0.000 1
212 1 18 2 "RMS(OBS, PRED)" CA 41 1.575 1
213 1 18 2 "RMS(OBS, PRED)" CB 41 1.530 1
214 1 18 2 "RMS(OBS, PRED)" H 37 0.481 1
215 1 18 2 "RMS(OBS, PRED)" HA 42 0.295 1
216 1 18 2 "RMS(OBS, PRED)" N 37 2.707 1
217 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
218 1 19 1 "RMS(OBS, PRED)" CA 89 1.221 1
219 1 19 1 "RMS(OBS, PRED)" CB 85 1.150 1
220 1 19 1 "RMS(OBS, PRED)" H 84 0.478 1
221 1 19 1 "RMS(OBS, PRED)" HA 93 0.201 1
222 1 19 1 "RMS(OBS, PRED)" N 83 2.944 1
223 1 19 2 "RMS(OBS, PRED)" C 0 0.000 1
224 1 19 2 "RMS(OBS, PRED)" CA 41 1.538 1
225 1 19 2 "RMS(OBS, PRED)" CB 41 1.442 1
226 1 19 2 "RMS(OBS, PRED)" H 37 0.440 1
227 1 19 2 "RMS(OBS, PRED)" HA 42 0.260 1
228 1 19 2 "RMS(OBS, PRED)" N 37 2.749 1
229 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
230 1 20 1 "RMS(OBS, PRED)" CA 89 1.188 1
231 1 20 1 "RMS(OBS, PRED)" CB 85 1.185 1
232 1 20 1 "RMS(OBS, PRED)" H 84 0.500 1
233 1 20 1 "RMS(OBS, PRED)" HA 93 0.208 1
234 1 20 1 "RMS(OBS, PRED)" N 83 3.025 1
235 1 20 2 "RMS(OBS, PRED)" C 0 0.000 1
236 1 20 2 "RMS(OBS, PRED)" CA 41 1.383 1
237 1 20 2 "RMS(OBS, PRED)" CB 41 1.627 1
238 1 20 2 "RMS(OBS, PRED)" H 37 0.460 1
239 1 20 2 "RMS(OBS, PRED)" HA 42 0.326 1
240 1 20 2 "RMS(OBS, PRED)" N 37 3.087 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 6 . 1 1 A 2 2 PRO HA H 2 4.396 4.308 0.088 2
1 13 . 1 1 A 2 2 PRO CA C 2 65.107 65.986 -0.879 2
1 17 . 1 1 A 3 3 GLN H H 3 8.509 8.378 0.131 2
1 28 . 1 1 A 3 3 GLN N N 3 117.064 117.794 -0.730 2
1 30 . 1 1 A 4 4 GLU H H 4 7.950 8.357 -0.407 2
1 31 . 1 1 A 4 4 GLU HA H 4 4.105 4.057 0.048 2
1 36 . 1 1 A 4 4 GLU CA C 4 58.778 59.355 -0.577 2
1 37 . 1 1 A 4 4 GLU CB C 4 29.734 29.286 0.448 2
1 39 . 1 1 A 4 4 GLU N N 4 121.574 121.384 0.190 2
1 90 . 1 1 A 9 9 SER H H 9 8.090 7.894 0.196 2
1 96 . 1 1 A 9 9 SER N N 9 116.178 114.251 1.927 2
1 223 . 1 1 A 20 20 ALA H H 20 8.796 8.400 0.396 2
1 230 . 1 1 A 20 20 ALA N N 20 121.747 120.408 1.339 2
1 251 . 1 1 A 23 23 CYS H H 23 7.229 7.608 -0.379 2
1 257 . 1 1 A 23 23 CYS N N 23 124.350 118.688 5.662 2
1 356 . 1 1 A 34 34 GLN HA H 34 3.963 4.043 -0.080 2
1 494 . 1 1 A 45 45 GLY H H 45 7.143 7.722 -0.579 2
1 495 . 1 1 A 45 45 GLY HA2 H 45 3.625 4.031 -0.406 2
1 496 . 1 1 A 45 45 GLY HA3 H 45 4.387 4.048 0.339 2
1 497 . 1 1 A 45 45 GLY CA C 45 44.289 45.339 -1.050 2
1 498 . 1 1 A 45 45 GLY N N 45 103.528 106.778 -3.250 2
1 499 . 1 1 A 46 46 CYS H H 46 6.988 7.298 -0.310 2
1 500 . 1 1 A 46 46 CYS HA H 46 3.955 4.383 -0.428 2
1 503 . 1 1 A 46 46 CYS CA C 46 60.654 59.204 1.450 2
1 504 . 1 1 A 46 46 CYS CB C 46 29.793 28.300 1.493 2
1 505 . 1 1 A 46 46 CYS N N 46 123.656 120.185 3.471 2
1 506 . 1 1 A 47 47 LYS H H 47 9.060 8.966 0.094 2
1 507 . 1 1 A 47 47 LYS HA H 47 4.489 4.528 -0.039 2
1 516 . 1 1 A 47 47 LYS CA C 47 56.127 56.306 -0.179 2
1 517 . 1 1 A 47 47 LYS CB C 47 32.393 32.960 -0.567 2
1 521 . 1 1 A 47 47 LYS N N 47 127.820 125.574 2.246 2
1 522 . 1 1 A 48 48 ARG H H 48 8.537 7.646 0.891 2
1 523 . 1 1 A 48 48 ARG HA H 48 4.330 4.389 -0.059 2
1 530 . 1 1 A 48 48 ARG CA C 48 57.648 57.447 0.201 2
1 531 . 1 1 A 48 48 ARG CB C 48 31.810 31.391 0.419 2
1 534 . 1 1 A 48 48 ARG N N 48 122.615 116.757 5.858 2
1 535 . 1 1 A 49 49 LYS H H 49 8.522 7.857 0.665 2
1 536 . 1 1 A 49 49 LYS HA H 49 4.554 4.280 0.274 2
1 545 . 1 1 A 49 49 LYS CA C 49 57.417 57.017 0.400 2
1 546 . 1 1 A 49 49 LYS CB C 49 31.543 32.173 -0.630 2
1 550 . 1 1 A 49 49 LYS N N 49 117.583 119.380 -1.797 2
1 551 . 1 1 A 50 50 THR H H 50 7.992 8.842 -0.850 2
1 552 . 1 1 A 50 50 THR HA H 50 4.127 3.949 0.178 2
1 557 . 1 1 A 50 50 THR CA C 50 63.985 65.671 -1.686 2
1 558 . 1 1 A 50 50 THR CB C 50 68.157 68.263 -0.106 2
1 560 . 1 1 A 50 50 THR N N 50 113.245 113.469 -0.224 2
1 561 . 1 1 A 51 51 ASN H H 51 8.888 8.350 0.538 2
1 562 . 1 1 A 51 51 ASN HA H 51 4.665 4.487 0.178 2
1 567 . 1 1 A 51 51 ASN CA C 51 54.159 55.837 -1.678 2
1 568 . 1 1 A 51 51 ASN CB C 51 37.857 38.315 -0.457 2
1 570 . 1 1 A 52 52 GLY H H 52 7.972 7.851 0.121 2
1 571 . 1 1 A 52 52 GLY HA2 H 52 3.893 3.994 -0.101 2
1 572 . 1 1 A 52 52 GLY HA3 H 52 4.101 3.998 0.103 2
1 573 . 1 1 A 52 52 GLY CA C 52 45.368 45.661 -0.293 2
1 574 . 1 1 A 52 52 GLY N N 52 106.651 106.271 0.380 2
1 575 . 1 1 A 53 53 GLY H H 53 7.765 8.008 -0.243 2
1 576 . 1 1 A 53 53 GLY HA2 H 53 3.837 4.064 -0.227 2
1 577 . 1 1 A 53 53 GLY HA3 H 53 4.079 4.065 0.014 2
1 578 . 1 1 A 53 53 GLY CA C 53 45.227 44.974 0.253 2
1 579 . 1 1 A 53 53 GLY N N 53 107.519 106.726 0.793 2
1 580 . 1 1 A 54 54 CYS H H 54 8.099 7.869 0.230 2
1 581 . 1 1 A 54 54 CYS HA H 54 4.720 4.558 0.162 2
1 584 . 1 1 A 54 54 CYS CA C 54 55.572 57.389 -1.817 2
1 585 . 1 1 A 54 54 CYS CB C 54 30.216 28.754 1.462 2
1 586 . 1 1 A 54 54 CYS N N 54 122.615 119.760 2.855 2
1 587 . 1 1 A 55 55 PRO HA H 55 4.237 4.467 -0.230 2
1 594 . 1 1 A 55 55 PRO CA C 55 64.757 64.088 0.669 2
1 595 . 1 1 A 55 55 PRO CB C 55 32.311 32.001 0.310 2
1 598 . 1 1 A 56 56 VAL H H 56 7.645 7.100 0.545 2
1 599 . 1 1 A 56 56 VAL HA H 56 3.384 3.719 -0.335 2
1 607 . 1 1 A 56 56 VAL CA C 56 66.184 65.863 0.321 2
1 608 . 1 1 A 56 56 VAL CB C 56 32.502 31.592 0.910 2
1 611 . 1 1 A 56 56 VAL N N 56 121.227 116.698 4.529 2
1 612 . 1 1 A 57 57 CYS H H 57 8.565 7.891 0.674 2
1 613 . 1 1 A 57 57 CYS HA H 57 4.034 4.067 -0.033 2
1 616 . 1 1 A 57 57 CYS CA C 57 65.746 63.593 2.152 2
1 617 . 1 1 A 57 57 CYS CB C 57 29.273 27.168 2.105 2
1 618 . 1 1 A 57 57 CYS N N 57 122.615 117.803 4.812 2
1 619 . 1 1 A 58 58 LYS H H 58 7.956 7.755 0.202 2
1 620 . 1 1 A 58 58 LYS HA H 58 3.874 3.865 0.009 2
1 629 . 1 1 A 58 58 LYS CA C 58 59.955 59.370 0.585 2
1 630 . 1 1 A 58 58 LYS CB C 58 32.272 32.142 0.130 2
1 634 . 1 1 A 58 58 LYS N N 58 116.889 120.789 -3.900 2
1 635 . 1 1 A 59 59 GLN H H 59 7.359 7.752 -0.393 2
1 636 . 1 1 A 59 59 GLN HA H 59 3.789 4.048 -0.260 2
1 643 . 1 1 A 59 59 GLN CA C 59 60.647 58.682 1.965 2
1 644 . 1 1 A 59 59 GLN CB C 59 27.196 28.254 -1.058 2
1 646 . 1 1 A 59 59 GLN N N 59 116.889 118.828 -1.939 2
1 648 . 1 1 A 60 60 LEU H H 60 8.303 7.709 0.594 2
1 649 . 1 1 A 60 60 LEU HA H 60 4.093 3.979 0.114 2
1 659 . 1 1 A 60 60 LEU CA C 60 58.110 57.928 0.182 2
1 660 . 1 1 A 60 60 LEU CB C 60 40.807 41.647 -0.840 2
1 664 . 1 1 A 60 60 LEU N N 60 118.103 119.400 -1.297 2
1 665 . 1 1 A 61 61 ILE H H 61 8.804 7.984 0.820 2
1 666 . 1 1 A 61 61 ILE HA H 61 3.801 3.463 0.338 2
1 676 . 1 1 A 61 61 ILE CA C 61 63.416 65.688 -2.272 2
1 677 . 1 1 A 61 61 ILE CB C 61 36.886 37.622 -0.736 2
1 681 . 1 1 A 61 61 ILE N N 61 118.624 118.962 -0.338 2
1 682 . 1 1 A 62 62 ALA H H 62 7.796 7.815 -0.019 2
1 683 . 1 1 A 62 62 ALA HA H 62 4.058 4.114 -0.056 2
1 687 . 1 1 A 62 62 ALA CA C 62 56.030 55.354 0.676 2
1 688 . 1 1 A 62 62 ALA CB C 62 18.068 18.348 -0.280 2
1 689 . 1 1 A 62 62 ALA N N 62 124.003 122.541 1.462 2
1 690 . 1 1 A 63 63 LEU H H 63 8.011 7.752 0.259 2
1 691 . 1 1 A 63 63 LEU HA H 63 4.077 4.088 -0.011 2
1 701 . 1 1 A 63 63 LEU CA C 63 58.110 57.842 0.268 2
1 702 . 1 1 A 63 63 LEU CB C 63 42.116 41.338 0.778 2
1 706 . 1 1 A 63 63 LEU N N 63 117.583 119.374 -1.791 2
1 707 . 1 1 A 64 64 CYS H H 64 8.818 8.652 0.166 2
1 708 . 1 1 A 64 64 CYS HA H 64 4.053 4.274 -0.221 2
1 711 . 1 1 A 64 64 CYS CA C 64 64.800 62.878 1.922 2
1 712 . 1 1 A 64 64 CYS CB C 64 26.504 26.928 -0.424 2
1 713 . 1 1 A 64 64 CYS N N 64 118.277 116.984 1.293 2
1 714 . 1 1 A 65 65 CYS H H 65 8.793 8.609 0.184 2
1 715 . 1 1 A 65 65 CYS HA H 65 4.258 4.129 0.129 2
1 718 . 1 1 A 65 65 CYS CA C 65 63.646 63.835 -0.189 2
1 719 . 1 1 A 65 65 CYS CB C 65 26.966 26.929 0.037 2
1 720 . 1 1 A 65 65 CYS N N 65 118.971 119.276 -0.305 2
1 721 . 1 1 A 66 66 TYR H H 66 8.369 8.415 -0.046 2
1 722 . 1 1 A 66 66 TYR HA H 66 4.034 4.225 -0.191 2
1 729 . 1 1 A 66 66 TYR CA C 66 60.886 61.702 -0.816 2
1 730 . 1 1 A 66 66 TYR CB C 66 37.808 38.613 -0.805 2
1 733 . 1 1 A 66 66 TYR N N 66 121.574 122.550 -0.976 2
1 734 . 1 1 A 67 67 HIS H H 67 8.633 7.769 0.864 2
1 735 . 1 1 A 67 67 HIS HA H 67 4.318 4.301 0.017 2
1 740 . 1 1 A 67 67 HIS CA C 67 58.998 59.874 -0.876 2
1 741 . 1 1 A 67 67 HIS CB C 67 27.409 30.275 -2.866 2
1 744 . 1 1 A 67 67 HIS N N 67 117.409 119.040 -1.631 2
1 745 . 1 1 A 68 68 ALA H H 68 8.725 8.855 -0.130 2
1 746 . 1 1 A 68 68 ALA HA H 68 4.019 3.918 0.101 2
1 750 . 1 1 A 68 68 ALA CA C 68 54.690 55.290 -0.600 2
1 751 . 1 1 A 68 68 ALA CB C 68 19.964 18.484 1.480 2
1 752 . 1 1 A 68 68 ALA N N 68 122.094 120.870 1.224 2
1 753 . 1 1 A 69 69 LYS H H 69 7.362 7.976 -0.615 2
1 754 . 1 1 A 69 69 LYS HA H 69 3.736 3.942 -0.206 2
1 763 . 1 1 A 69 69 LYS CA C 69 58.137 59.115 -0.978 2
1 764 . 1 1 A 69 69 LYS CB C 69 32.224 32.128 0.096 2
1 768 . 1 1 A 69 69 LYS N N 69 114.807 117.420 -2.613 2
1 769 . 1 1 A 70 70 HIS H H 70 7.011 7.613 -0.602 2
1 770 . 1 1 A 70 70 HIS HA H 70 4.697 4.310 0.387 2
1 774 . 1 1 A 70 70 HIS CA C 70 54.835 58.196 -3.361 2
1 775 . 1 1 A 70 70 HIS CB C 70 30.477 30.557 -0.080 2
1 777 . 1 1 A 70 70 HIS N N 70 112.898 115.769 -2.871 2
1 778 . 1 1 A 71 71 CYS H H 71 7.012 7.402 -0.390 2
1 779 . 1 1 A 71 71 CYS HA H 71 4.032 4.197 -0.165 2
1 782 . 1 1 A 71 71 CYS CA C 71 59.948 59.856 0.092 2
1 783 . 1 1 A 71 71 CYS CB C 71 29.752 28.002 1.750 2
1 784 . 1 1 A 71 71 CYS N N 71 123.829 117.986 5.843 2
1 785 . 1 1 A 72 72 GLN H H 72 9.181 8.816 0.365 2
1 786 . 1 1 A 72 72 GLN HA H 72 4.674 4.562 0.112 2
1 793 . 1 1 A 72 72 GLN CA C 72 54.224 55.522 -1.298 2
1 794 . 1 1 A 72 72 GLN CB C 72 29.049 30.290 -1.241 2
1 796 . 1 1 A 72 72 GLN N N 72 128.341 122.540 5.801 2
1 798 . 1 1 A 73 73 GLU H H 73 8.396 7.359 1.037 2
1 799 . 1 1 A 73 73 GLU HA H 73 4.389 4.418 -0.029 2
1 804 . 1 1 A 73 73 GLU CA C 73 55.341 56.374 -1.033 2
1 805 . 1 1 A 73 73 GLU CB C 73 30.239 31.239 -1.000 2
1 807 . 1 1 A 73 73 GLU N N 73 123.309 121.952 1.357 2
1 808 . 1 1 A 74 74 ASN H H 74 8.921 8.983 -0.062 2
1 809 . 1 1 A 74 74 ASN HA H 74 4.538 4.988 -0.450 2
1 814 . 1 1 A 74 74 ASN CA C 74 54.666 53.278 1.388 2
1 815 . 1 1 A 74 74 ASN CB C 74 38.301 39.345 -1.044 2
1 816 . 1 1 A 74 74 ASN N N 74 124.870 122.135 2.735 2
1 818 . 1 1 A 75 75 LYS H H 75 8.847 7.840 1.007 2
1 819 . 1 1 A 75 75 LYS HA H 75 4.442 4.636 -0.194 2
1 828 . 1 1 A 75 75 LYS CA C 75 54.327 55.318 -0.991 2
1 829 . 1 1 A 75 75 LYS CB C 75 30.837 33.197 -2.360 2
1 833 . 1 1 A 75 75 LYS N N 75 121.574 116.811 4.763 2
1 834 . 1 1 A 76 76 CYS H H 76 7.191 7.361 -0.169 2
1 835 . 1 1 A 76 76 CYS HA H 76 4.389 4.434 -0.045 2
1 838 . 1 1 A 76 76 CYS CA C 76 57.270 57.705 -0.435 2
1 839 . 1 1 A 76 76 CYS CB C 76 30.613 28.276 2.337 2
1 840 . 1 1 A 76 76 CYS N N 76 124.350 121.555 2.795 2
1 841 . 1 1 A 77 77 PRO HA H 77 4.673 4.464 0.209 2
1 848 . 1 1 A 77 77 PRO CA C 77 62.878 64.372 -1.494 2
1 849 . 1 1 A 77 77 PRO CB C 77 31.950 32.005 -0.055 2
1 852 . 1 1 A 78 78 VAL H H 78 8.974 7.757 1.217 2
1 853 . 1 1 A 78 78 VAL HA H 78 4.187 4.192 -0.005 2
1 861 . 1 1 A 78 78 VAL CA C 78 61.637 61.068 0.569 2
1 862 . 1 1 A 78 78 VAL CB C 78 31.654 32.217 -0.563 2
1 865 . 1 1 A 78 78 VAL N N 78 128.688 119.598 9.090 2
1 866 . 1 1 A 79 79 PRO HA H 79 3.938 4.255 -0.317 2
1 873 . 1 1 A 79 79 PRO CA C 79 63.962 65.102 -1.140 2
1 874 . 1 1 A 79 79 PRO CB C 79 30.887 31.916 -1.029 2
1 877 . 1 1 A 80 80 PHE HA H 80 4.350 4.298 0.052 2
1 884 . 1 1 A 80 80 PHE CA C 80 59.032 60.168 -1.136 2
1 885 . 1 1 A 80 80 PHE CB C 80 37.686 38.553 -0.867 2
1 888 . 1 1 A 81 81 CYS H H 81 7.686 8.282 -0.596 2
1 889 . 1 1 A 81 81 CYS HA H 81 4.001 4.122 -0.121 2
1 892 . 1 1 A 81 81 CYS CA C 81 64.779 62.526 2.253 2
1 893 . 1 1 A 81 81 CYS CB C 81 29.524 26.456 3.068 2
1 894 . 1 1 A 81 81 CYS N N 81 124.176 118.724 5.452 2
1 895 . 1 1 A 82 82 LEU H H 82 8.267 8.294 -0.027 2
1 896 . 1 1 A 82 82 LEU HA H 82 4.010 3.780 0.230 2
1 906 . 1 1 A 82 82 LEU CA C 82 58.340 58.056 0.284 2
1 907 . 1 1 A 82 82 LEU CB C 82 40.862 41.574 -0.712 2
1 911 . 1 1 A 82 82 LEU N N 82 114.980 121.277 -6.297 2
1 912 . 1 1 A 83 83 ASN H H 83 7.917 8.205 -0.288 2
1 913 . 1 1 A 83 83 ASN HA H 83 4.490 4.512 -0.022 2
1 918 . 1 1 A 83 83 ASN CA C 83 56.061 56.503 -0.442 2
1 919 . 1 1 A 83 83 ASN CB C 83 38.494 38.564 -0.070 2
1 920 . 1 1 A 83 83 ASN N N 83 116.542 116.796 -0.254 2
1 922 . 1 1 A 84 84 ILE H H 84 8.788 8.236 0.552 2
1 923 . 1 1 A 84 84 ILE HA H 84 3.734 3.766 -0.032 2
1 933 . 1 1 A 84 84 ILE CA C 84 65.142 65.067 0.075 2
1 934 . 1 1 A 84 84 ILE CB C 84 38.039 37.802 0.237 2
1 938 . 1 1 A 84 84 ILE N N 84 121.747 120.317 1.430 2
1 939 . 1 1 A 85 85 LYS H H 85 8.954 8.456 0.498 2
1 940 . 1 1 A 85 85 LYS HA H 85 3.839 4.061 -0.222 2
1 949 . 1 1 A 85 85 LYS CA C 85 60.936 59.010 1.926 2
1 950 . 1 1 A 85 85 LYS CB C 85 32.041 32.130 -0.089 2
1 954 . 1 1 A 85 85 LYS N N 85 119.665 120.439 -0.774 2
1 955 . 1 1 A 86 86 HIS H H 86 8.043 7.888 0.155 2
1 956 . 1 1 A 86 86 HIS HA H 86 4.411 4.324 0.087 2
1 960 . 1 1 A 86 86 HIS CA C 86 58.746 59.498 -0.752 2
1 961 . 1 1 A 86 86 HIS CB C 86 30.067 29.902 0.165 2
1 963 . 1 1 A 86 86 HIS N N 86 116.542 118.830 -2.288 2
1 964 . 1 1 A 87 87 LYS H H 87 7.822 7.889 -0.067 2
1 965 . 1 1 A 87 87 LYS HA H 87 4.158 4.060 0.098 2
1 968 . 1 1 A 87 87 LYS CA C 87 57.879 59.044 -1.165 2
1 969 . 1 1 A 87 87 LYS N N 87 119.318 119.921 -0.603 2
1 970 . 1 1 A 88 88 LEU H H 88 8.405 8.508 -0.103 2
1 971 . 1 1 A 88 88 LEU HA H 88 4.194 4.020 0.174 2
1 981 . 1 1 A 88 88 LEU CA C 88 56.289 57.810 -1.521 2
1 982 . 1 1 A 88 88 LEU CB C 88 41.692 41.234 0.458 2
1 986 . 1 1 A 88 88 LEU N N 88 119.144 119.777 -0.633 2
1 987 . 1 1 A 89 89 ARG H H 89 7.826 8.427 -0.600 2
1 988 . 1 1 A 89 89 ARG HA H 89 4.271 4.040 0.231 2
1 995 . 1 1 A 89 89 ARG CA C 89 56.666 59.079 -2.413 2
1 996 . 1 1 A 89 89 ARG CB C 89 29.965 29.820 0.145 2
1 999 . 1 1 A 89 89 ARG N N 89 118.450 118.428 0.022 2
1 1000 . 1 1 A 90 90 GLN H H 90 7.935 7.849 0.086 2
1 1001 . 1 1 A 90 90 GLN HA H 90 4.270 4.241 0.029 2
1 1008 . 1 1 A 90 90 GLN CA C 90 55.840 57.306 -1.466 2
1 1009 . 1 1 A 90 90 GLN CB C 90 28.989 28.642 0.347 2
1 1011 . 1 1 A 90 90 GLN N N 90 119.318 116.994 2.324 2
1 1013 . 1 1 A 91 91 GLN H H 91 8.141 7.857 0.284 2
1 1014 . 1 1 A 91 91 GLN HA H 91 4.352 4.294 0.058 2
1 1021 . 1 1 A 91 91 GLN CA C 91 55.581 56.962 -1.381 2
1 1022 . 1 1 A 91 91 GLN CB C 91 29.284 29.369 -0.085 2
1 1024 . 1 1 A 91 91 GLN N N 91 120.706 117.989 2.717 2
1 1043 . 2 2 B 2 2 SER CB C 707 63.646 47.358 16.288 2
1 1044 . 2 2 B 3 3 HIS HA H 708 4.663 4.423 0.240 2
1 1047 . 2 2 B 3 3 HIS CA C 708 56.033 57.185 -1.152 2
1 1048 . 2 2 B 3 3 HIS CB C 708 30.146 29.701 0.445 2
1 1053 . 2 2 B 5 5 SER H H 710 8.437 8.159 0.278 2
1 1054 . 2 2 B 5 5 SER HA H 710 4.429 4.400 0.029 2
1 1057 . 2 2 B 5 5 SER CA C 710 58.340 59.864 -1.524 2
1 1058 . 2 2 B 5 5 SER CB C 710 63.416 63.577 -0.161 2
1 1059 . 2 2 B 5 5 SER N N 710 117.160 114.991 2.169 2
1 1060 . 2 2 B 6 6 GLU H H 711 8.458 8.023 0.435 2
1 1061 . 2 2 B 6 6 GLU HA H 711 4.311 4.278 0.033 2
1 1066 . 2 2 B 6 6 GLU CA C 711 56.033 57.917 -1.885 2
1 1067 . 2 2 B 6 6 GLU CB C 711 30.223 30.374 -0.151 2
1 1069 . 2 2 B 6 6 GLU N N 711 123.053 121.187 1.866 2
1 1070 . 2 2 B 7 7 VAL H H 712 8.150 7.979 0.171 2
1 1071 . 2 2 B 7 7 VAL HA H 712 4.050 4.190 -0.140 2
1 1079 . 2 2 B 7 7 VAL CA C 712 61.801 60.658 1.143 2
1 1080 . 2 2 B 7 7 VAL CB C 712 32.041 31.422 0.619 2
1 1083 . 2 2 B 7 7 VAL N N 712 121.173 119.354 1.819 2
1 1084 . 2 2 B 8 8 HIS H H 713 8.495 8.307 0.188 2
1 1085 . 2 2 B 8 8 HIS HA H 713 4.914 4.495 0.419 2
1 1089 . 2 2 B 8 8 HIS CA C 713 53.945 55.850 -1.905 2
1 1090 . 2 2 B 8 8 HIS CB C 713 30.218 36.144 -5.926 2
1 1092 . 2 2 B 8 8 HIS N N 713 125.310 120.320 4.990 2
1 1093 . 2 2 B 9 9 PRO HA H 714 4.430 4.322 0.107 2
1 1100 . 2 2 B 9 9 PRO CA C 714 63.409 62.559 0.850 2
1 1101 . 2 2 B 9 9 PRO CB C 714 32.018 47.893 -15.875 2
1 1104 . 2 2 B 10 10 SER H H 715 8.889 8.186 0.703 2
1 1105 . 2 2 B 10 10 SER HA H 715 4.437 4.029 0.408 2
1 1108 . 2 2 B 10 10 SER CA C 715 58.571 61.874 -3.303 2
1 1109 . 2 2 B 10 10 SER CB C 715 63.213 50.425 12.789 2
1 1110 . 2 2 B 10 10 SER N N 715 116.533 117.912 -1.379 2
1 1111 . 2 2 B 11 11 ARG H H 716 8.442 8.088 0.354 2
1 1112 . 2 2 B 11 11 ARG HA H 716 4.388 4.352 0.036 2
1 1119 . 2 2 B 11 11 ARG CA C 716 55.882 57.285 -1.403 2
1 1120 . 2 2 B 11 11 ARG CB C 716 30.395 30.300 0.095 2
1 1123 . 2 2 B 11 11 ARG N N 716 122.803 119.884 2.919 2
1 1124 . 2 2 B 12 12 LEU H H 717 8.133 8.004 0.129 2
1 1125 . 2 2 B 12 12 LEU HA H 717 4.356 4.332 0.024 2
1 1135 . 2 2 B 12 12 LEU CA C 717 54.880 56.714 -1.834 2
1 1136 . 2 2 B 12 12 LEU CB C 717 42.081 37.118 4.963 2
1 1140 . 2 2 B 12 12 LEU N N 717 122.552 120.541 2.011 2
1 1141 . 2 2 B 13 13 GLN H H 718 8.440 8.177 0.263 2
1 1142 . 2 2 B 13 13 GLN HA H 718 4.454 4.328 0.126 2
1 1149 . 2 2 B 13 13 GLN CA C 718 55.341 59.620 -4.279 2
1 1150 . 2 2 B 13 13 GLN CB C 718 29.285 28.721 0.564 2
1 1152 . 2 2 B 13 13 GLN N N 718 121.298 120.120 1.178 2
1 1154 . 2 2 B 14 14 THR H H 719 8.257 8.242 0.015 2
1 1155 . 2 2 B 14 14 THR HA H 719 4.438 3.938 0.500 2
1 1160 . 2 2 B 14 14 THR CA C 719 61.339 63.977 -2.638 2
1 1161 . 2 2 B 14 14 THR CB C 719 69.456 53.633 15.823 2
1 1163 . 2 2 B 14 14 THR N N 719 115.154 116.670 -1.516 2
1 1164 . 2 2 B 15 15 THR H H 720 8.240 8.251 -0.011 2
1 1165 . 2 2 B 15 15 THR HA H 720 4.275 4.098 0.177 2
1 1170 . 2 2 B 15 15 THR CA C 720 61.967 61.544 0.423 2
1 1171 . 2 2 B 15 15 THR CB C 720 69.183 48.577 20.606 2
1 1173 . 2 2 B 15 15 THR N N 720 115.029 117.334 -2.305 2
1 1174 . 2 2 B 16 16 ASP H H 721 8.293 8.252 0.041 2
1 1175 . 2 2 B 16 16 ASP HA H 721 4.494 4.378 0.116 2
1 1178 . 2 2 B 16 16 ASP CA C 721 54.880 58.546 -3.666 2
1 1179 . 2 2 B 16 16 ASP CB C 721 40.891 52.017 -11.126 2
1 1180 . 2 2 B 16 16 ASP N N 721 122.427 118.921 3.506 2
1 1181 . 2 2 B 17 17 ASN H H 722 8.272 8.033 0.239 2
1 1182 . 2 2 B 17 17 ASN HA H 722 4.577 4.502 0.075 2
1 1187 . 2 2 B 17 17 ASN CA C 722 53.330 55.331 -2.001 2
1 1188 . 2 2 B 17 17 ASN CB C 722 38.332 40.590 -2.258 2
1 1189 . 2 2 B 17 17 ASN N N 722 118.916 120.271 -1.355 2
1 1191 . 2 2 B 18 18 LEU H H 723 8.204 7.944 0.260 2
1 1192 . 2 2 B 18 18 LEU HA H 723 4.191 3.858 0.333 2
1 1202 . 2 2 B 18 18 LEU CA C 723 54.200 61.856 -7.656 2
1 1203 . 2 2 B 18 18 LEU CB C 723 43.545 36.471 7.074 2
1 1207 . 2 2 B 18 18 LEU N N 723 121.173 118.887 2.286 2
1 1208 . 2 2 B 19 19 LEU H H 724 7.416 7.888 -0.472 2
1 1209 . 2 2 B 19 19 LEU HA H 724 4.273 4.248 0.025 2
1 1219 . 2 2 B 19 19 LEU CA C 724 52.415 57.047 -4.632 2
1 1220 . 2 2 B 19 19 LEU CB C 724 40.471 35.925 4.546 2
1 1224 . 2 2 B 19 19 LEU N N 724 117.286 120.451 -3.165 2
1 1225 . 2 2 B 20 20 PRO HA H 725 4.271 4.254 0.017 2
1 1232 . 2 2 B 20 20 PRO CA C 725 63.877 59.652 4.225 2
1 1233 . 2 2 B 20 20 PRO CB C 725 32.716 25.074 7.642 2
1 1236 . 2 2 B 21 21 MET H H 726 8.932 7.771 1.161 2
1 1237 . 2 2 B 21 21 MET HA H 726 4.841 4.542 0.299 2
1 1245 . 2 2 B 21 21 MET CA C 726 54.199 57.921 -3.722 2
1 1246 . 2 2 B 21 21 MET CB C 726 36.939 31.437 5.502 2
1 1249 . 2 2 B 21 21 MET N N 726 116.784 117.406 -0.622 2
1 1250 . 2 2 B 22 22 SER H H 727 8.956 8.332 0.624 2
1 1251 . 2 2 B 22 22 SER HA H 727 4.771 4.614 0.157 2
1 1254 . 2 2 B 22 22 SER CA C 727 56.255 56.360 -0.105 2
1 1255 . 2 2 B 22 22 SER CB C 727 62.528 46.950 15.578 2
1 1256 . 2 2 B 22 22 SER N N 727 119.167 118.061 1.106 2
1 1257 . 2 2 B 23 23 PRO HA H 728 4.312 4.325 -0.013 2
1 1264 . 2 2 B 23 23 PRO CA C 728 65.953 62.493 3.460 2
1 1265 . 2 2 B 23 23 PRO CB C 728 31.810 30.151 1.659 2
1 1268 . 2 2 B 24 24 GLU H H 729 8.877 8.583 0.294 2
1 1269 . 2 2 B 24 24 GLU HA H 729 4.163 4.338 -0.175 2
1 1274 . 2 2 B 24 24 GLU CA C 729 59.748 57.867 1.881 2
1 1275 . 2 2 B 24 24 GLU CB C 729 28.819 30.554 -1.735 2
1 1277 . 2 2 B 24 24 GLU N N 729 116.283 120.499 -4.216 2
1 1278 . 2 2 B 25 25 GLU H H 730 7.789 7.463 0.326 2
1 1279 . 2 2 B 25 25 GLU HA H 730 3.787 4.335 -0.548 2
1 1284 . 2 2 B 25 25 GLU CA C 730 59.266 56.336 2.930 2
1 1285 . 2 2 B 25 25 GLU CB C 730 29.501 34.408 -4.907 2
1 1287 . 2 2 B 25 25 GLU N N 730 121.298 119.562 1.736 2
1 1288 . 2 2 B 26 26 PHE H H 731 8.730 8.716 0.014 2
1 1289 . 2 2 B 26 26 PHE HA H 731 4.364 4.131 0.233 2
1 1296 . 2 2 B 26 26 PHE CA C 731 59.724 58.019 1.705 2
1 1297 . 2 2 B 26 26 PHE CB C 731 38.230 29.027 9.203 2
1 1300 . 2 2 B 26 26 PHE N N 731 119.543 123.765 -4.222 2
1 1301 . 2 2 B 27 27 ASP H H 732 8.587 8.257 0.330 2
1 1302 . 2 2 B 27 27 ASP HA H 732 4.097 4.641 -0.544 2
1 1305 . 2 2 B 27 27 ASP CA C 732 57.256 55.006 2.250 2
1 1306 . 2 2 B 27 27 ASP CB C 732 40.421 40.437 -0.016 2
1 1307 . 2 2 B 27 27 ASP N N 732 121.549 117.015 4.534 2
1 1308 . 2 2 B 28 28 GLU H H 733 7.383 7.816 -0.433 2
1 1309 . 2 2 B 28 28 GLU HA H 733 4.155 4.223 -0.068 2
1 1314 . 2 2 B 28 28 GLU CA C 733 58.749 59.299 -0.550 2
1 1315 . 2 2 B 28 28 GLU CB C 733 28.933 29.181 -0.248 2
1 1317 . 2 2 B 28 28 GLU N N 733 119.793 120.430 -0.636 2
1 1318 . 2 2 B 29 29 VAL H H 734 8.246 8.235 0.011 2
1 1319 . 2 2 B 29 29 VAL HA H 734 3.595 3.829 -0.234 2
1 1327 . 2 2 B 29 29 VAL CA C 734 66.219 63.493 2.726 2
1 1328 . 2 2 B 29 29 VAL CB C 734 31.362 47.252 -15.890 2
1 1331 . 2 2 B 29 29 VAL N N 734 118.540 120.152 -1.612 2
1 1332 . 2 2 B 30 30 SER H H 735 8.384 7.916 0.468 2
1 1333 . 2 2 B 30 30 SER HA H 735 3.912 4.080 -0.168 2
1 1336 . 2 2 B 30 30 SER CA C 735 61.703 57.338 4.365 2
1 1337 . 2 2 B 30 30 SER CB C 735 62.059 52.127 9.932 2
1 1338 . 2 2 B 30 30 SER N N 735 115.154 119.886 -4.732 2
1 1339 . 2 2 B 31 31 ARG H H 736 7.683 7.922 -0.239 2
1 1340 . 2 2 B 31 31 ARG HA H 736 4.027 4.165 -0.138 2
1 1348 . 2 2 B 31 31 ARG CA C 736 58.571 61.730 -3.159 2
1 1349 . 2 2 B 31 31 ARG CB C 736 30.068 30.971 -0.903 2
1 1352 . 2 2 B 31 31 ARG N N 736 121.549 121.230 0.319 2
1 1354 . 2 2 B 32 32 ILE H H 737 7.703 7.671 0.032 2
1 1355 . 2 2 B 32 32 ILE HA H 737 3.859 4.047 -0.188 2
1 1365 . 2 2 B 32 32 ILE CA C 737 63.445 62.730 0.715 2
1 1366 . 2 2 B 32 32 ILE CB C 737 38.332 50.308 -11.976 2
1 1370 . 2 2 B 32 32 ILE N N 737 119.167 116.178 2.989 2
1 1371 . 2 2 B 33 33 VAL H H 738 8.293 7.975 0.318 2
1 1372 . 2 2 B 33 33 VAL HA H 738 3.901 3.851 0.050 2
1 1380 . 2 2 B 33 33 VAL CA C 738 63.805 64.056 -0.251 2
1 1381 . 2 2 B 33 33 VAL CB C 738 32.408 29.123 3.285 2
1 1384 . 2 2 B 33 33 VAL N N 738 116.157 120.190 -4.033 2
1 1385 . 2 2 B 34 34 GLY H H 739 7.868 7.834 0.034 2
1 1386 . 2 2 B 34 34 GLY HA2 H 739 3.813 3.815 -0.002 2
1 1387 . 2 2 B 34 34 GLY HA3 H 739 4.120 3.840 0.280 2
1 1388 . 2 2 B 34 34 GLY CA C 739 44.831 46.605 -1.774 2
1 1389 . 2 2 B 34 34 GLY N N 739 108.258 114.731 -6.473 2
1 1390 . 2 2 B 35 35 SER H H 740 8.366 7.951 0.415 2
1 1391 . 2 2 B 35 35 SER HA H 740 4.389 4.027 0.362 2
1 1394 . 2 2 B 35 35 SER CA C 740 58.261 59.073 -0.812 2
1 1395 . 2 2 B 35 35 SER CB C 740 62.663 47.040 15.623 2
1 1396 . 2 2 B 35 35 SER N N 740 116.408 114.694 1.714 2
1 1397 . 2 2 B 36 36 VAL H H 741 7.897 8.091 -0.194 2
1 1398 . 2 2 B 36 36 VAL HA H 741 4.054 3.955 0.099 2
1 1406 . 2 2 B 36 36 VAL CA C 741 61.737 62.666 -0.929 2
1 1407 . 2 2 B 36 36 VAL CB C 741 33.084 32.196 0.888 2
1 1410 . 2 2 B 36 36 VAL N N 741 122.928 119.187 3.741 2
1 1411 . 2 2 B 37 37 GLU H H 742 8.468 8.065 0.403 2
1 1412 . 2 2 B 37 37 GLU HA H 742 4.306 4.349 -0.043 2
1 1417 . 2 2 B 37 37 GLU CA C 742 55.803 57.941 -2.138 2
1 1418 . 2 2 B 37 37 GLU CB C 742 29.029 31.592 -2.563 2
1 1420 . 2 2 B 37 37 GLU N N 742 124.057 119.263 4.794 2
1 1421 . 2 2 B 38 38 PHE H H 743 8.222 7.822 0.400 2
1 1422 . 2 2 B 38 38 PHE HA H 743 4.360 4.085 0.275 2
1 1429 . 2 2 B 38 38 PHE CA C 743 59.263 60.547 -1.284 2
1 1430 . 2 2 B 38 38 PHE CB C 743 39.524 34.712 4.812 2
1 1433 . 2 2 B 38 38 PHE N N 743 122.427 120.663 1.764 2
1 1434 . 2 2 B 39 39 ASP H H 744 8.602 8.378 0.224 2
1 1435 . 2 2 B 39 39 ASP HA H 744 4.380 4.056 0.324 2
1 1438 . 2 2 B 39 39 ASP CA C 744 56.495 60.849 -4.354 2
1 1439 . 2 2 B 39 39 ASP CB C 744 40.119 35.613 4.506 2
1 1440 . 2 2 B 39 39 ASP N N 744 120.044 118.864 1.180 2
1 1441 . 2 2 B 40 40 SER H H 745 8.143 8.159 -0.016 2
1 1442 . 2 2 B 40 40 SER HA H 745 4.328 4.245 0.083 2
1 1445 . 2 2 B 40 40 SER CA C 745 59.724 61.617 -1.893 2
1 1446 . 2 2 B 40 40 SER CB C 745 62.723 47.751 14.972 2
1 1447 . 2 2 B 40 40 SER N N 745 114.527 117.559 -3.032 2
1 1448 . 2 2 B 41 41 MET H H 746 7.930 7.885 0.045 2
1 1449 . 2 2 B 41 41 MET HA H 746 4.374 4.084 0.290 2
1 1457 . 2 2 B 41 41 MET CA C 746 56.244 58.526 -2.282 2
1 1458 . 2 2 B 41 41 MET CB C 746 32.502 29.982 2.520 2
1 1461 . 2 2 B 41 41 MET N N 746 120.044 121.215 -1.171 2
1 1462 . 2 2 B 42 42 MET H H 747 7.784 8.020 -0.236 2
1 1463 . 2 2 B 42 42 MET HA H 747 4.232 4.402 -0.170 2
1 1471 . 2 2 B 42 42 MET CA C 747 55.830 57.761 -1.931 2
1 1472 . 2 2 B 42 42 MET CB C 747 32.502 31.321 1.181 2
1 1475 . 2 2 B 42 42 MET N N 747 117.035 118.403 -1.368 2
1 1476 . 2 2 B 43 43 ASN H H 748 7.960 7.984 -0.024 2
1 1477 . 2 2 B 43 43 ASN HA H 748 4.831 4.261 0.570 2
1 1482 . 2 2 B 43 43 ASN CA C 748 53.146 60.349 -7.203 2
1 1483 . 2 2 B 43 43 ASN CB C 748 38.795 54.203 -15.408 2
1 1484 . 2 2 B 43 43 ASN N N 748 117.537 116.026 1.511 2
1 1486 . 2 2 B 44 44 THR H H 749 8.039 8.173 -0.134 2
1 1487 . 2 2 B 44 44 THR HA H 749 4.432 4.150 0.282 2
1 1492 . 2 2 B 44 44 THR CA C 749 61.570 61.697 -0.127 2
1 1493 . 2 2 B 44 44 THR CB C 749 69.644 50.710 18.934 2
1 1495 . 2 2 B 44 44 THR N N 749 114.026 117.589 -3.563 2
stop_
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