data_15739_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15739
_Entry.PDB_ID 2K35
_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 25
_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 8 . 1 1 1 A 2 2 ILE H H 2 8.299 8.231 0.068 1
1 9 . 1 1 1 A 2 2 ILE HA H 2 4.139 4.270 -0.131 1
1 19 . 1 1 1 A 2 2 ILE CA C 2 61.463 60.418 1.045 1
1 20 . 1 1 1 A 2 2 ILE CB C 2 38.545 36.717 1.828 1
1 24 . 1 1 1 A 2 2 ILE N N 2 121.433 119.737 1.696 1
1 25 . 1 1 1 A 3 3 VAL H H 3 8.245 8.392 -0.147 1
1 26 . 1 1 1 A 3 3 VAL HA H 3 4.138 3.964 0.174 1
1 34 . 1 1 1 A 3 3 VAL CA C 3 61.813 62.307 -0.494 1
1 35 . 1 1 1 A 3 3 VAL CB C 3 32.887 30.385 2.502 1
1 38 . 1 1 1 A 3 3 VAL N N 3 123.973 124.424 -0.451 1
1 39 . 1 1 1 A 4 4 ASP H H 4 8.320 7.954 0.366 1
1 40 . 1 1 1 A 4 4 ASP HA H 4 4.499 5.180 -0.681 1
1 43 . 1 1 1 A 4 4 ASP CA C 4 53.912 54.048 -0.136 1
1 44 . 1 1 1 A 4 4 ASP CB C 4 41.523 43.789 -2.266 1
1 45 . 1 1 1 A 4 4 ASP N N 4 123.308 123.372 -0.064 1
1 46 . 1 1 1 A 5 5 CYS H H 5 7.560 8.375 -0.815 1
1 47 . 1 1 1 A 5 5 CYS HA H 5 5.355 5.167 0.188 1
1 50 . 1 1 1 A 5 5 CYS CA C 5 54.544 55.884 -1.340 1
1 51 . 1 1 1 A 5 5 CYS CB C 5 44.815 44.818 -0.003 1
1 52 . 1 1 1 A 5 5 CYS N N 5 121.272 121.645 -0.373 1
1 53 . 1 1 1 A 6 6 TRP H H 6 9.768 9.498 0.270 1
1 54 . 1 1 1 A 6 6 TRP HA H 6 4.727 5.217 -0.490 1
1 58 . 1 1 1 A 6 6 TRP CB C 6 34.880 34.449 0.431 1
1 59 . 1 1 1 A 6 6 TRP N N 6 120.939 125.865 -4.926 1
1 61 . 1 1 1 A 7 7 GLU H H 7 10.518 9.387 1.131 1
1 62 . 1 1 1 A 7 7 GLU HA H 7 4.872 4.575 0.297 1
1 66 . 1 1 1 A 7 7 GLU CA C 7 59.493 57.779 1.714 1
1 67 . 1 1 1 A 7 7 GLU CB C 7 31.264 32.699 -1.435 1
1 69 . 1 1 1 A 7 7 GLU N N 7 119.048 121.071 -2.023 1
1 70 . 1 1 1 A 8 8 THR H H 8 7.112 8.139 -1.027 1
1 71 . 1 1 1 A 8 8 THR HA H 8 4.509 4.543 -0.034 1
1 76 . 1 1 1 A 8 8 THR CA C 8 57.991 62.961 -4.970 1
1 77 . 1 1 1 A 8 8 THR CB C 8 73.377 69.913 3.464 1
1 79 . 1 1 1 A 8 8 THR N N 8 103.295 112.992 -9.697 1
1 80 . 1 1 1 A 9 9 TRP H H 9 7.902 9.149 -1.247 1
1 81 . 1 1 1 A 9 9 TRP HA H 9 2.806 4.402 -1.596 1
1 85 . 1 1 1 A 9 9 TRP CA C 9 62.403 61.724 0.679 1
1 86 . 1 1 1 A 9 9 TRP CB C 9 26.876 30.345 -3.469 1
1 87 . 1 1 1 A 9 9 TRP N N 9 121.679 127.130 -5.451 1
1 89 . 1 1 1 A 10 10 SER H H 10 8.585 8.549 0.036 1
1 90 . 1 1 1 A 10 10 SER HA H 10 3.354 4.331 -0.977 1
1 93 . 1 1 1 A 10 10 SER CA C 10 61.924 61.285 0.639 1
1 94 . 1 1 1 A 10 10 SER CB C 10 62.121 62.620 -0.499 1
1 95 . 1 1 1 A 10 10 SER N N 10 114.940 114.268 0.672 1
1 96 . 1 1 1 A 11 11 ARG H H 11 7.619 7.484 0.135 1
1 97 . 1 1 1 A 11 11 ARG HA H 11 3.797 4.092 -0.295 1
1 103 . 1 1 1 A 11 11 ARG CA C 11 58.216 59.238 -1.022 1
1 104 . 1 1 1 A 11 11 ARG CB C 11 30.189 29.946 0.243 1
1 107 . 1 1 1 A 11 11 ARG N N 11 120.414 121.984 -1.570 1
1 108 . 1 1 1 A 12 12 CYS H H 12 6.939 7.810 -0.871 1
1 109 . 1 1 1 A 12 12 CYS HA H 12 2.633 4.502 -1.869 1
1 112 . 1 1 1 A 12 12 CYS CA C 12 58.084 58.527 -0.443 1
1 113 . 1 1 1 A 12 12 CYS CB C 12 41.245 42.043 -0.798 1
1 114 . 1 1 1 A 12 12 CYS N N 12 114.990 117.662 -2.672 1
1 115 . 1 1 1 A 13 13 THR H H 13 7.600 7.314 0.286 1
1 116 . 1 1 1 A 13 13 THR HA H 13 3.346 4.284 -0.938 1
1 121 . 1 1 1 A 13 13 THR CA C 13 66.553 64.389 2.164 1
1 122 . 1 1 1 A 13 13 THR CB C 13 68.908 69.086 -0.178 1
1 124 . 1 1 1 A 13 13 THR N N 13 115.078 113.546 1.532 1
1 125 . 1 1 1 A 14 14 LYS H H 14 7.138 7.009 0.129 1
1 126 . 1 1 1 A 14 14 LYS HA H 14 4.141 4.459 -0.318 1
1 132 . 1 1 1 A 14 14 LYS CA C 14 56.515 56.806 -0.291 1
1 133 . 1 1 1 A 14 14 LYS CB C 14 33.392 33.355 0.037 1
1 137 . 1 1 1 A 14 14 LYS N N 14 119.549 118.979 0.570 1
1 138 . 1 1 1 A 15 15 TRP H H 15 7.747 8.000 -0.253 1
1 139 . 1 1 1 A 15 15 TRP HA H 15 4.360 5.284 -0.924 1
1 143 . 1 1 1 A 15 15 TRP CA C 15 57.057 55.513 1.544 1
1 144 . 1 1 1 A 15 15 TRP CB C 15 29.949 33.403 -3.454 1
1 145 . 1 1 1 A 15 15 TRP N N 15 122.233 117.679 4.554 1
1 147 . 1 1 1 A 16 16 SER H H 16 7.845 8.948 -1.103 1
1 148 . 1 1 1 A 16 16 SER HA H 16 4.236 4.898 -0.662 1
1 151 . 1 1 1 A 16 16 SER CA C 16 57.866 57.641 0.225 1
1 152 . 1 1 1 A 16 16 SER CB C 16 64.242 67.829 -3.587 1
1 153 . 1 1 1 A 16 16 SER N N 16 116.282 116.490 -0.208 1
1 154 . 1 1 1 A 17 17 GLN H H 17 8.150 8.663 -0.513 1
1 155 . 1 1 1 A 17 17 GLN HA H 17 4.238 4.465 -0.227 1
1 159 . 1 1 1 A 17 17 GLN CA C 17 55.929 57.226 -1.297 1
1 160 . 1 1 1 A 17 17 GLN CB C 17 29.663 27.843 1.820 1
1 162 . 1 1 1 A 17 17 GLN N N 17 122.525 118.495 4.030 1
1 163 . 1 1 1 A 18 18 GLY H H 18 8.313 8.592 -0.279 1
1 164 . 1 1 1 A 18 18 GLY HA2 H 18 3.928 3.895 0.033 1
1 165 . 1 1 1 A 18 18 GLY N N 18 110.285 110.081 0.204 1
1 166 . 1 1 1 A 19 19 GLY H H 19 8.241 8.150 0.091 1
1 167 . 1 1 1 A 19 19 GLY HA2 H 19 3.939 4.075 -0.136 1
1 168 . 1 1 1 A 19 19 GLY N N 19 108.776 115.838 -7.062 1
1 169 . 1 1 1 A 20 20 THR H H 20 8.166 8.183 -0.017 1
1 170 . 1 1 1 A 20 20 THR HA H 20 4.318 4.166 0.152 1
1 175 . 1 1 1 A 20 20 THR CA C 20 61.985 62.212 -0.227 1
1 176 . 1 1 1 A 20 20 THR CB C 20 69.591 67.660 1.931 1
1 178 . 1 1 1 A 20 20 THR N N 20 113.035 111.163 1.872 1
1 179 . 1 1 1 A 21 21 GLY H H 21 8.423 8.664 -0.241 1
1 180 . 1 1 1 A 21 21 GLY HA2 H 21 3.836 4.140 -0.304 1
1 181 . 1 1 1 A 21 21 GLY HA3 H 21 4.047 4.140 -0.093 1
1 182 . 1 1 1 A 21 21 GLY CA C 21 45.397 44.734 0.663 1
1 183 . 1 1 1 A 21 21 GLY N N 21 111.299 114.846 -3.547 1
1 184 . 1 1 1 A 22 22 THR H H 22 7.915 8.530 -0.615 1
1 185 . 1 1 1 A 22 22 THR HA H 22 4.279 4.682 -0.403 1
1 190 . 1 1 1 A 22 22 THR CA C 22 61.845 61.594 0.251 1
1 191 . 1 1 1 A 22 22 THR CB C 22 69.755 71.313 -1.558 1
1 193 . 1 1 1 A 22 22 THR N N 22 113.293 119.556 -6.263 1
1 194 . 1 1 1 A 23 23 LEU H H 23 8.132 7.524 0.608 1
1 195 . 1 1 1 A 23 23 LEU HA H 23 4.282 4.675 -0.393 1
1 205 . 1 1 1 A 23 23 LEU CA C 23 55.052 53.327 1.725 1
1 206 . 1 1 1 A 23 23 LEU CB C 23 42.511 42.445 0.066 1
1 210 . 1 1 1 A 23 23 LEU N N 23 124.055 122.414 1.641 1
1 211 . 1 1 1 A 24 24 TRP H H 24 8.011 7.368 0.643 1
1 212 . 1 1 1 A 24 24 TRP HA H 24 4.694 4.617 0.077 1
1 216 . 1 1 1 A 24 24 TRP CA C 24 56.611 59.878 -3.267 1
1 217 . 1 1 1 A 24 24 TRP CB C 24 30.203 29.957 0.246 1
1 218 . 1 1 1 A 24 24 TRP N N 24 122.196 124.012 -1.816 1
1 220 . 1 1 1 A 25 25 LYS H H 25 8.384 8.006 0.378 1
1 221 . 1 1 1 A 25 25 LYS HA H 25 4.415 4.098 0.317 1
1 228 . 1 1 1 A 25 25 LYS CB C 25 34.608 30.238 4.370 1
1 232 . 1 1 1 A 25 25 LYS N N 25 122.979 116.195 6.784 1
1 233 . 1 1 1 A 26 26 SER H H 26 8.703 8.638 0.065 1
1 234 . 1 1 1 A 26 26 SER HA H 26 4.689 4.356 0.333 1
1 237 . 1 1 1 A 26 26 SER CA C 26 60.110 60.708 -0.598 1
1 238 . 1 1 1 A 26 26 SER CB C 26 64.419 61.680 2.739 1
1 239 . 1 1 1 A 26 26 SER N N 26 117.775 108.058 9.717 1
1 240 . 1 1 1 A 27 27 CYS H H 27 8.216 9.112 -0.896 1
1 241 . 1 1 1 A 27 27 CYS HA H 27 4.382 4.295 0.087 1
1 244 . 1 1 1 A 27 27 CYS CA C 27 58.151 59.289 -1.138 1
1 245 . 1 1 1 A 27 27 CYS CB C 27 36.051 41.839 -5.788 1
1 246 . 1 1 1 A 27 27 CYS N N 27 119.629 121.894 -2.265 1
1 247 . 1 1 1 A 28 28 ASN H H 28 8.640 8.179 0.461 1
1 248 . 1 1 1 A 28 28 ASN HA H 28 4.039 4.485 -0.446 1
1 251 . 1 1 1 A 28 28 ASN CA C 28 57.688 56.250 1.438 1
1 252 . 1 1 1 A 28 28 ASN CB C 28 39.578 38.921 0.657 1
1 253 . 1 1 1 A 28 28 ASN N N 28 117.431 119.472 -2.041 1
1 254 . 1 1 1 A 29 29 ASP H H 29 7.910 7.989 -0.079 1
1 255 . 1 1 1 A 29 29 ASP HA H 29 4.290 4.419 -0.129 1
1 258 . 1 1 1 A 29 29 ASP CA C 29 57.649 57.112 0.537 1
1 259 . 1 1 1 A 29 29 ASP CB C 29 40.511 40.969 -0.458 1
1 260 . 1 1 1 A 29 29 ASP N N 29 117.680 119.208 -1.528 1
1 261 . 1 1 1 A 30 30 ARG H H 30 8.559 7.845 0.714 1
1 262 . 1 1 1 A 30 30 ARG HA H 30 3.792 4.135 -0.343 1
1 267 . 1 1 1 A 30 30 ARG CA C 30 59.243 58.317 0.926 1
1 268 . 1 1 1 A 30 30 ARG CB C 30 29.806 29.699 0.107 1
1 271 . 1 1 1 A 30 30 ARG N N 30 121.907 118.232 3.675 1
1 272 . 1 1 1 A 31 31 CYS H H 31 8.066 7.597 0.469 1
1 273 . 1 1 1 A 31 31 CYS HA H 31 4.285 4.671 -0.386 1
1 276 . 1 1 1 A 31 31 CYS CA C 31 58.396 56.430 1.966 1
1 277 . 1 1 1 A 31 31 CYS CB C 31 36.213 43.324 -7.111 1
1 278 . 1 1 1 A 31 31 CYS N N 31 117.122 116.662 0.460 1
1 279 . 1 1 1 A 32 32 LYS H H 32 8.096 7.757 0.339 1
1 280 . 1 1 1 A 32 32 LYS HA H 32 4.402 4.146 0.256 1
1 286 . 1 1 1 A 32 32 LYS CA C 32 59.508 59.290 0.218 1
1 287 . 1 1 1 A 32 32 LYS CB C 32 31.698 32.274 -0.576 1
1 289 . 1 1 1 A 32 32 LYS N N 32 121.727 120.612 1.115 1
1 290 . 1 1 1 A 33 33 GLU H H 33 8.131 8.727 -0.596 1
1 291 . 1 1 1 A 33 33 GLU HA H 33 4.090 4.211 -0.121 1
1 295 . 1 1 1 A 33 33 GLU CA C 33 59.018 58.684 0.334 1
1 296 . 1 1 1 A 33 33 GLU CB C 33 29.103 28.350 0.753 1
1 298 . 1 1 1 A 33 33 GLU N N 33 121.845 117.458 4.387 1
1 299 . 1 1 1 A 34 34 LEU H H 34 7.318 7.241 0.077 1
1 300 . 1 1 1 A 34 34 LEU HA H 34 4.385 4.508 -0.123 1
1 310 . 1 1 1 A 34 34 LEU CA C 34 54.830 54.685 0.145 1
1 311 . 1 1 1 A 34 34 LEU CB C 34 42.243 42.242 0.001 1
1 315 . 1 1 1 A 34 34 LEU N N 34 117.966 118.295 -0.329 1
1 316 . 1 1 1 A 35 35 GLY H H 35 7.931 7.970 -0.039 1
1 317 . 1 1 1 A 35 35 GLY HA2 H 35 3.793 4.031 -0.238 1
1 318 . 1 1 1 A 35 35 GLY HA3 H 35 4.251 4.031 0.220 1
1 319 . 1 1 1 A 35 35 GLY CA C 35 39.163 46.389 -7.226 1
1 320 . 1 1 1 A 35 35 GLY N N 35 107.160 108.139 -0.979 1
1 321 . 1 1 1 A 36 36 ARG H H 36 7.772 7.626 0.146 1
1 322 . 1 1 1 A 36 36 ARG HA H 36 4.700 4.770 -0.070 1
1 329 . 1 1 1 A 36 36 ARG CA C 36 52.697 54.395 -1.698 1
1 330 . 1 1 1 A 36 36 ARG CB C 36 27.998 32.675 -4.677 1
1 333 . 1 1 1 A 36 36 ARG N N 36 119.227 119.333 -0.106 1
1 334 . 1 1 1 A 37 37 LYS H H 37 9.057 8.829 0.228 1
1 335 . 1 1 1 A 37 37 LYS HA H 37 4.220 4.350 -0.130 1
1 342 . 1 1 1 A 37 37 LYS CA C 37 58.398 58.086 0.312 1
1 343 . 1 1 1 A 37 37 LYS CB C 37 33.797 33.182 0.615 1
1 346 . 1 1 1 A 37 37 LYS N N 37 119.506 121.905 -2.399 1
1 347 . 1 1 1 A 38 38 ARG H H 38 8.278 7.753 0.525 1
1 348 . 1 1 1 A 38 38 ARG HA H 38 4.721 4.774 -0.053 1
1 354 . 1 1 1 A 38 38 ARG CA C 38 54.582 54.733 -0.151 1
1 355 . 1 1 1 A 38 38 ARG CB C 38 32.642 32.787 -0.145 1
1 358 . 1 1 1 A 38 38 ARG N N 38 113.248 114.406 -1.158 1
1 359 . 1 1 1 A 39 39 GLY H H 39 9.055 8.475 0.580 1
1 360 . 1 1 1 A 39 39 GLY HA2 H 39 3.895 4.484 -0.589 1
1 361 . 1 1 1 A 39 39 GLY HA3 H 39 5.551 4.484 1.067 1
1 362 . 1 1 1 A 39 39 GLY CA C 39 46.770 44.854 1.916 1
1 363 . 1 1 1 A 39 39 GLY N N 39 107.276 106.344 0.932 1
1 364 . 1 1 1 A 40 40 GLN H H 40 9.453 8.758 0.695 1
1 365 . 1 1 1 A 40 40 GLN HA H 40 4.717 4.890 -0.173 1
1 370 . 1 1 1 A 40 40 GLN CA C 40 54.463 54.154 0.309 1
1 371 . 1 1 1 A 40 40 GLN CB C 40 32.364 32.108 0.256 1
1 373 . 1 1 1 A 40 40 GLN N N 40 120.430 121.620 -1.190 1
1 374 . 1 1 1 A 41 41 CYS H H 41 9.208 7.606 1.602 1
1 375 . 1 1 1 A 41 41 CYS HA H 41 5.935 4.869 1.066 1
1 378 . 1 1 1 A 41 41 CYS CA C 41 59.537 54.902 4.635 1
1 379 . 1 1 1 A 41 41 CYS CB C 41 48.386 41.988 6.398 1
1 380 . 1 1 1 A 41 41 CYS N N 41 122.768 122.053 0.715 1
1 381 . 1 1 1 A 42 42 GLU H H 42 9.529 9.096 0.433 1
1 382 . 1 1 1 A 42 42 GLU HA H 42 5.066 4.877 0.189 1
1 386 . 1 1 1 A 42 42 GLU CA C 42 54.869 54.673 0.196 1
1 387 . 1 1 1 A 42 42 GLU CB C 42 35.149 32.487 2.662 1
1 389 . 1 1 1 A 42 42 GLU N N 42 122.626 125.083 -2.457 1
1 390 . 1 1 1 A 43 43 GLU H H 43 8.450 8.327 0.123 1
1 391 . 1 1 1 A 43 43 GLU HA H 43 3.973 4.460 -0.487 1
1 396 . 1 1 1 A 43 43 GLU CA C 43 55.920 55.826 0.094 1
1 397 . 1 1 1 A 43 43 GLU CB C 43 29.068 28.129 0.939 1
1 399 . 1 1 1 A 43 43 GLU N N 43 122.712 121.691 1.021 1
1 400 . 1 1 1 A 44 44 LYS H H 44 8.051 7.639 0.412 1
1 401 . 1 1 1 A 44 44 LYS HA H 44 4.858 4.999 -0.141 1
1 408 . 1 1 1 A 44 44 LYS CA C 44 51.858 53.226 -1.368 1
1 409 . 1 1 1 A 44 44 LYS CB C 44 33.736 33.129 0.607 1
1 413 . 1 1 1 A 44 44 LYS N N 44 124.525 124.929 -0.404 1
1 414 . 1 1 1 A 45 45 PRO HA H 45 4.371 4.530 -0.159 1
1 421 . 1 1 1 A 45 45 PRO CA C 45 64.556 64.200 0.356 1
1 422 . 1 1 1 A 45 45 PRO CB C 45 31.781 31.907 -0.126 1
1 425 . 1 1 1 A 46 46 SER H H 46 8.132 8.423 -0.291 1
1 426 . 1 1 1 A 46 46 SER HA H 46 4.119 4.400 -0.281 1
1 429 . 1 1 1 A 46 46 SER CA C 46 60.190 59.889 0.301 1
1 430 . 1 1 1 A 46 46 SER CB C 46 62.093 62.781 -0.688 1
1 431 . 1 1 1 A 46 46 SER N N 46 109.975 113.597 -3.622 1
1 432 . 1 1 1 A 47 47 ARG H H 47 7.381 7.567 -0.186 1
1 433 . 1 1 1 A 47 47 ARG HA H 47 4.448 4.542 -0.094 1
1 438 . 1 1 1 A 47 47 ARG CA C 47 56.257 55.173 1.084 1
1 439 . 1 1 1 A 47 47 ARG CB C 47 32.699 30.823 1.876 1
1 442 . 1 1 1 A 47 47 ARG N N 47 120.043 117.503 2.540 1
1 443 . 1 1 1 A 48 48 CYS H H 48 7.864 7.283 0.581 1
1 444 . 1 1 1 A 48 48 CYS HA H 48 5.145 4.960 0.185 1
1 447 . 1 1 1 A 48 48 CYS CA C 48 52.322 53.085 -0.763 1
1 448 . 1 1 1 A 48 48 CYS CB C 48 41.255 43.917 -2.662 1
1 449 . 1 1 1 A 48 48 CYS N N 48 118.806 119.720 -0.914 1
1 450 . 1 1 1 A 49 49 PRO HA H 49 4.475 4.521 -0.046 1
1 457 . 1 1 1 A 49 49 PRO CA C 49 64.149 64.432 -0.283 1
1 458 . 1 1 1 A 49 49 PRO CB C 49 32.684 32.035 0.649 1
1 461 . 1 1 1 A 50 50 LEU H H 50 8.839 7.704 1.135 1
1 462 . 1 1 1 A 50 50 LEU HA H 50 4.436 4.618 -0.182 1
1 472 . 1 1 1 A 50 50 LEU CA C 50 54.154 53.954 0.200 1
1 473 . 1 1 1 A 50 50 LEU CB C 50 41.344 41.424 -0.080 1
1 477 . 1 1 1 A 50 50 LEU N N 50 122.400 119.899 2.501 1
1 478 . 1 1 1 A 51 51 SER H H 51 8.563 8.674 -0.111 1
1 479 . 1 1 1 A 51 51 SER HA H 51 4.042 4.170 -0.128 1
1 481 . 1 1 1 A 51 51 SER CA C 51 60.771 61.740 -0.969 1
1 482 . 1 1 1 A 51 51 SER CB C 51 62.818 63.122 -0.304 1
1 483 . 1 1 1 A 51 51 SER N N 51 120.571 120.292 0.279 1
1 484 . 1 1 1 A 52 52 LYS H H 52 8.067 8.017 0.050 1
1 485 . 1 1 1 A 52 52 LYS HA H 52 4.324 4.128 0.196 1
1 491 . 1 1 1 A 52 52 LYS CA C 52 56.796 58.729 -1.933 1
1 492 . 1 1 1 A 52 52 LYS CB C 52 31.870 31.898 -0.028 1
1 496 . 1 1 1 A 52 52 LYS N N 52 117.675 121.506 -3.831 1
1 497 . 1 1 1 A 53 53 LYS H H 53 7.619 7.778 -0.159 1
1 498 . 1 1 1 A 53 53 LYS HA H 53 4.426 4.409 0.017 1
1 504 . 1 1 1 A 53 53 LYS CA C 53 55.204 58.521 -3.317 1
1 505 . 1 1 1 A 53 53 LYS CB C 53 33.881 32.945 0.936 1
1 509 . 1 1 1 A 53 53 LYS N N 53 122.168 117.535 4.633 1
1 510 . 1 1 1 A 54 54 ALA H H 54 8.485 8.014 0.471 1
1 511 . 1 1 1 A 54 54 ALA HA H 54 4.410 4.036 0.374 1
1 515 . 1 1 1 A 54 54 ALA CA C 54 53.135 53.394 -0.259 1
1 516 . 1 1 1 A 54 54 ALA CB C 54 21.208 17.135 4.073 1
1 517 . 1 1 1 A 54 54 ALA N N 54 122.332 119.863 2.469 1
1 518 . 1 1 1 A 55 55 TRP H H 55 8.517 7.475 1.042 1
1 519 . 1 1 1 A 55 55 TRP HA H 55 4.676 5.160 -0.484 1
1 523 . 1 1 1 A 55 55 TRP CA C 55 57.259 56.061 1.198 1
1 524 . 1 1 1 A 55 55 TRP CB C 55 30.373 31.233 -0.860 1
1 525 . 1 1 1 A 55 55 TRP N N 55 117.762 119.325 -1.563 1
1 527 . 1 1 1 A 56 56 THR H H 56 9.389 8.855 0.534 1
1 528 . 1 1 1 A 56 56 THR HA H 56 5.201 4.985 0.216 1
1 533 . 1 1 1 A 56 56 THR CA C 56 60.940 60.061 0.879 1
1 534 . 1 1 1 A 56 56 THR CB C 56 70.961 71.456 -0.495 1
1 536 . 1 1 1 A 56 56 THR N N 56 117.434 115.582 1.852 1
1 537 . 1 1 1 A 57 57 CYS H H 57 8.665 9.046 -0.381 1
1 538 . 1 1 1 A 57 57 CYS HA H 57 4.827 4.820 0.007 1
1 541 . 1 1 1 A 57 57 CYS CA C 57 56.272 56.227 0.045 1
1 542 . 1 1 1 A 57 57 CYS CB C 57 37.251 42.917 -5.666 1
1 543 . 1 1 1 A 57 57 CYS N N 57 126.085 124.155 1.930 1
1 544 . 1 1 1 A 58 58 ILE H H 58 9.150 9.059 0.091 1
1 545 . 1 1 1 A 58 58 ILE HA H 58 4.297 4.410 -0.113 1
1 555 . 1 1 1 A 58 58 ILE CA C 58 58.322 60.196 -1.874 1
1 556 . 1 1 1 A 58 58 ILE CB C 58 37.652 37.884 -0.232 1
1 560 . 1 1 1 A 58 58 ILE N N 58 134.435 126.306 8.129 1
1 561 . 1 1 1 A 59 59 CYS H H 59 8.204 8.287 -0.083 1
1 562 . 1 1 1 A 59 59 CYS HA H 59 5.698 4.761 0.937 1
1 565 . 1 1 1 A 59 59 CYS CA C 59 51.508 56.250 -4.742 1
1 566 . 1 1 1 A 59 59 CYS CB C 59 36.523 41.802 -5.279 1
1 567 . 1 1 1 A 59 59 CYS N N 59 121.180 126.240 -5.060 1
1 8 . 2 1 1 A 2 2 ILE H H 2 8.299 8.499 -0.200 1
1 9 . 2 1 1 A 2 2 ILE HA H 2 4.139 4.865 -0.726 1
1 19 . 2 1 1 A 2 2 ILE CA C 2 61.463 60.534 0.929 1
1 20 . 2 1 1 A 2 2 ILE CB C 2 38.545 41.154 -2.609 1
1 24 . 2 1 1 A 2 2 ILE N N 2 121.433 121.159 0.274 1
1 25 . 2 1 1 A 3 3 VAL H H 3 8.245 8.471 -0.226 1
1 26 . 2 1 1 A 3 3 VAL HA H 3 4.138 4.386 -0.248 1
1 34 . 2 1 1 A 3 3 VAL CA C 3 61.813 61.188 0.625 1
1 35 . 2 1 1 A 3 3 VAL CB C 3 32.887 33.320 -0.433 1
1 38 . 2 1 1 A 3 3 VAL N N 3 123.973 127.287 -3.314 1
1 39 . 2 1 1 A 4 4 ASP H H 4 8.320 7.663 0.657 1
1 40 . 2 1 1 A 4 4 ASP HA H 4 4.499 4.739 -0.240 1
1 43 . 2 1 1 A 4 4 ASP CA C 4 53.912 53.948 -0.036 1
1 44 . 2 1 1 A 4 4 ASP CB C 4 41.523 39.554 1.969 1
1 45 . 2 1 1 A 4 4 ASP N N 4 123.308 123.159 0.149 1
1 46 . 2 1 1 A 5 5 CYS H H 5 7.560 8.794 -1.234 1
1 47 . 2 1 1 A 5 5 CYS HA H 5 5.355 5.449 -0.094 1
1 50 . 2 1 1 A 5 5 CYS CA C 5 54.544 54.815 -0.271 1
1 51 . 2 1 1 A 5 5 CYS CB C 5 44.815 43.630 1.185 1
1 52 . 2 1 1 A 5 5 CYS N N 5 121.272 122.984 -1.712 1
1 53 . 2 1 1 A 6 6 TRP H H 6 9.768 8.893 0.875 1
1 54 . 2 1 1 A 6 6 TRP HA H 6 4.727 5.165 -0.438 1
1 58 . 2 1 1 A 6 6 TRP CB C 6 34.880 33.682 1.198 1
1 59 . 2 1 1 A 6 6 TRP N N 6 120.939 124.057 -3.118 1
1 61 . 2 1 1 A 7 7 GLU H H 7 10.518 9.435 1.083 1
1 62 . 2 1 1 A 7 7 GLU HA H 7 4.872 4.561 0.311 1
1 66 . 2 1 1 A 7 7 GLU CA C 7 59.493 57.442 2.051 1
1 67 . 2 1 1 A 7 7 GLU CB C 7 31.264 32.283 -1.019 1
1 69 . 2 1 1 A 7 7 GLU N N 7 119.048 119.979 -0.931 1
1 70 . 2 1 1 A 8 8 THR H H 8 7.112 7.902 -0.790 1
1 71 . 2 1 1 A 8 8 THR HA H 8 4.509 4.356 0.153 1
1 76 . 2 1 1 A 8 8 THR CA C 8 57.991 63.062 -5.071 1
1 77 . 2 1 1 A 8 8 THR CB C 8 73.377 69.224 4.153 1
1 79 . 2 1 1 A 8 8 THR N N 8 103.295 113.365 -10.070 1
1 80 . 2 1 1 A 9 9 TRP H H 9 7.902 9.124 -1.222 1
1 81 . 2 1 1 A 9 9 TRP HA H 9 2.806 4.205 -1.399 1
1 85 . 2 1 1 A 9 9 TRP CA C 9 62.403 62.120 0.283 1
1 86 . 2 1 1 A 9 9 TRP CB C 9 26.876 30.545 -3.669 1
1 87 . 2 1 1 A 9 9 TRP N N 9 121.679 127.142 -5.463 1
1 89 . 2 1 1 A 10 10 SER H H 10 8.585 8.348 0.237 1
1 90 . 2 1 1 A 10 10 SER HA H 10 3.354 4.144 -0.790 1
1 93 . 2 1 1 A 10 10 SER CA C 10 61.924 62.255 -0.331 1
1 94 . 2 1 1 A 10 10 SER CB C 10 62.121 62.869 -0.748 1
1 95 . 2 1 1 A 10 10 SER N N 10 114.940 115.932 -0.992 1
1 96 . 2 1 1 A 11 11 ARG H H 11 7.619 7.874 -0.255 1
1 97 . 2 1 1 A 11 11 ARG HA H 11 3.797 3.925 -0.128 1
1 103 . 2 1 1 A 11 11 ARG CA C 11 58.216 59.279 -1.063 1
1 104 . 2 1 1 A 11 11 ARG CB C 11 30.189 29.118 1.071 1
1 107 . 2 1 1 A 11 11 ARG N N 11 120.414 120.786 -0.372 1
1 108 . 2 1 1 A 12 12 CYS H H 12 6.939 8.340 -1.401 1
1 109 . 2 1 1 A 12 12 CYS HA H 12 2.633 4.430 -1.797 1
1 112 . 2 1 1 A 12 12 CYS CA C 12 58.084 58.546 -0.462 1
1 113 . 2 1 1 A 12 12 CYS CB C 12 41.245 42.109 -0.864 1
1 114 . 2 1 1 A 12 12 CYS N N 12 114.990 117.019 -2.029 1
1 115 . 2 1 1 A 13 13 THR H H 13 7.600 7.428 0.172 1
1 116 . 2 1 1 A 13 13 THR HA H 13 3.346 4.166 -0.820 1
1 121 . 2 1 1 A 13 13 THR CA C 13 66.553 65.802 0.751 1
1 122 . 2 1 1 A 13 13 THR CB C 13 68.908 69.190 -0.282 1
1 124 . 2 1 1 A 13 13 THR N N 13 115.078 115.840 -0.762 1
1 125 . 2 1 1 A 14 14 LYS H H 14 7.138 7.596 -0.458 1
1 126 . 2 1 1 A 14 14 LYS HA H 14 4.141 4.383 -0.242 1
1 132 . 2 1 1 A 14 14 LYS CA C 14 56.515 57.394 -0.879 1
1 133 . 2 1 1 A 14 14 LYS CB C 14 33.392 34.480 -1.088 1
1 137 . 2 1 1 A 14 14 LYS N N 14 119.549 118.629 0.920 1
1 138 . 2 1 1 A 15 15 TRP H H 15 7.747 8.575 -0.828 1
1 139 . 2 1 1 A 15 15 TRP HA H 15 4.360 4.909 -0.549 1
1 143 . 2 1 1 A 15 15 TRP CA C 15 57.057 56.040 1.017 1
1 144 . 2 1 1 A 15 15 TRP CB C 15 29.949 32.602 -2.653 1
1 145 . 2 1 1 A 15 15 TRP N N 15 122.233 119.536 2.697 1
1 147 . 2 1 1 A 16 16 SER H H 16 7.845 9.068 -1.223 1
1 148 . 2 1 1 A 16 16 SER HA H 16 4.236 4.568 -0.332 1
1 151 . 2 1 1 A 16 16 SER CA C 16 57.866 58.228 -0.362 1
1 152 . 2 1 1 A 16 16 SER CB C 16 64.242 63.715 0.527 1
1 153 . 2 1 1 A 16 16 SER N N 16 116.282 122.451 -6.169 1
1 154 . 2 1 1 A 17 17 GLN H H 17 8.150 8.033 0.117 1
1 155 . 2 1 1 A 17 17 GLN HA H 17 4.238 4.416 -0.178 1
1 159 . 2 1 1 A 17 17 GLN CA C 17 55.929 56.231 -0.302 1
1 160 . 2 1 1 A 17 17 GLN CB C 17 29.663 29.503 0.160 1
1 162 . 2 1 1 A 17 17 GLN N N 17 122.525 122.357 0.168 1
1 163 . 2 1 1 A 18 18 GLY H H 18 8.313 8.616 -0.303 1
1 164 . 2 1 1 A 18 18 GLY HA2 H 18 3.928 3.863 0.065 1
1 165 . 2 1 1 A 18 18 GLY N N 18 110.285 112.791 -2.506 1
1 166 . 2 1 1 A 19 19 GLY H H 19 8.241 8.859 -0.618 1
1 167 . 2 1 1 A 19 19 GLY HA2 H 19 3.939 4.013 -0.074 1
1 168 . 2 1 1 A 19 19 GLY N N 19 108.776 116.219 -7.443 1
1 169 . 2 1 1 A 20 20 THR H H 20 8.166 7.892 0.274 1
1 170 . 2 1 1 A 20 20 THR HA H 20 4.318 3.968 0.350 1
1 175 . 2 1 1 A 20 20 THR CA C 20 61.985 65.299 -3.314 1
1 176 . 2 1 1 A 20 20 THR CB C 20 69.591 69.649 -0.058 1
1 178 . 2 1 1 A 20 20 THR N N 20 113.035 115.740 -2.705 1
1 179 . 2 1 1 A 21 21 GLY H H 21 8.423 7.941 0.482 1
1 180 . 2 1 1 A 21 21 GLY HA2 H 21 3.836 4.010 -0.174 1
1 181 . 2 1 1 A 21 21 GLY HA3 H 21 4.047 4.010 0.037 1
1 182 . 2 1 1 A 21 21 GLY CA C 21 45.397 45.569 -0.172 1
1 183 . 2 1 1 A 21 21 GLY N N 21 111.299 109.218 2.081 1
1 184 . 2 1 1 A 22 22 THR H H 22 7.915 8.141 -0.226 1
1 185 . 2 1 1 A 22 22 THR HA H 22 4.279 4.120 0.159 1
1 190 . 2 1 1 A 22 22 THR CA C 22 61.845 65.113 -3.268 1
1 191 . 2 1 1 A 22 22 THR CB C 22 69.755 69.329 0.426 1
1 193 . 2 1 1 A 22 22 THR N N 22 113.293 113.901 -0.608 1
1 194 . 2 1 1 A 23 23 LEU H H 23 8.132 7.294 0.838 1
1 195 . 2 1 1 A 23 23 LEU HA H 23 4.282 4.597 -0.315 1
1 205 . 2 1 1 A 23 23 LEU CA C 23 55.052 54.688 0.364 1
1 206 . 2 1 1 A 23 23 LEU CB C 23 42.511 43.398 -0.887 1
1 210 . 2 1 1 A 23 23 LEU N N 23 124.055 116.956 7.099 1
1 211 . 2 1 1 A 24 24 TRP H H 24 8.011 8.738 -0.727 1
1 212 . 2 1 1 A 24 24 TRP HA H 24 4.694 4.424 0.270 1
1 216 . 2 1 1 A 24 24 TRP CA C 24 56.611 60.153 -3.542 1
1 217 . 2 1 1 A 24 24 TRP CB C 24 30.203 28.890 1.313 1
1 218 . 2 1 1 A 24 24 TRP N N 24 122.196 125.893 -3.697 1
1 220 . 2 1 1 A 25 25 LYS H H 25 8.384 6.538 1.846 1
1 221 . 2 1 1 A 25 25 LYS HA H 25 4.415 3.979 0.436 1
1 228 . 2 1 1 A 25 25 LYS CB C 25 34.608 30.738 3.870 1
1 232 . 2 1 1 A 25 25 LYS N N 25 122.979 116.301 6.678 1
1 233 . 2 1 1 A 26 26 SER H H 26 8.703 7.750 0.953 1
1 234 . 2 1 1 A 26 26 SER HA H 26 4.689 4.532 0.157 1
1 237 . 2 1 1 A 26 26 SER CA C 26 60.110 57.454 2.656 1
1 238 . 2 1 1 A 26 26 SER CB C 26 64.419 65.114 -0.695 1
1 239 . 2 1 1 A 26 26 SER N N 26 117.775 109.605 8.170 1
1 240 . 2 1 1 A 27 27 CYS H H 27 8.216 8.904 -0.688 1
1 241 . 2 1 1 A 27 27 CYS HA H 27 4.382 4.300 0.082 1
1 244 . 2 1 1 A 27 27 CYS CA C 27 58.151 58.825 -0.674 1
1 245 . 2 1 1 A 27 27 CYS CB C 27 36.051 41.891 -5.840 1
1 246 . 2 1 1 A 27 27 CYS N N 27 119.629 121.070 -1.441 1
1 247 . 2 1 1 A 28 28 ASN H H 28 8.640 8.441 0.199 1
1 248 . 2 1 1 A 28 28 ASN HA H 28 4.039 4.460 -0.421 1
1 251 . 2 1 1 A 28 28 ASN CA C 28 57.688 56.663 1.025 1
1 252 . 2 1 1 A 28 28 ASN CB C 28 39.578 39.136 0.442 1
1 253 . 2 1 1 A 28 28 ASN N N 28 117.431 119.653 -2.222 1
1 254 . 2 1 1 A 29 29 ASP H H 29 7.910 8.197 -0.287 1
1 255 . 2 1 1 A 29 29 ASP HA H 29 4.290 4.334 -0.044 1
1 258 . 2 1 1 A 29 29 ASP CA C 29 57.649 56.984 0.665 1
1 259 . 2 1 1 A 29 29 ASP CB C 29 40.511 40.889 -0.378 1
1 260 . 2 1 1 A 29 29 ASP N N 29 117.680 119.786 -2.106 1
1 261 . 2 1 1 A 30 30 ARG H H 30 8.559 8.265 0.294 1
1 262 . 2 1 1 A 30 30 ARG HA H 30 3.792 3.988 -0.196 1
1 267 . 2 1 1 A 30 30 ARG CA C 30 59.243 59.594 -0.351 1
1 268 . 2 1 1 A 30 30 ARG CB C 30 29.806 29.795 0.011 1
1 271 . 2 1 1 A 30 30 ARG N N 30 121.907 117.543 4.364 1
1 272 . 2 1 1 A 31 31 CYS H H 31 8.066 8.376 -0.310 1
1 273 . 2 1 1 A 31 31 CYS HA H 31 4.285 4.394 -0.109 1
1 276 . 2 1 1 A 31 31 CYS CA C 31 58.396 60.514 -2.118 1
1 277 . 2 1 1 A 31 31 CYS CB C 31 36.213 41.156 -4.943 1
1 278 . 2 1 1 A 31 31 CYS N N 31 117.122 118.187 -1.065 1
1 279 . 2 1 1 A 32 32 LYS H H 32 8.096 7.840 0.256 1
1 280 . 2 1 1 A 32 32 LYS HA H 32 4.402 3.965 0.437 1
1 286 . 2 1 1 A 32 32 LYS CA C 32 59.508 59.102 0.406 1
1 287 . 2 1 1 A 32 32 LYS CB C 32 31.698 31.949 -0.251 1
1 289 . 2 1 1 A 32 32 LYS N N 32 121.727 122.548 -0.821 1
1 290 . 2 1 1 A 33 33 GLU H H 33 8.131 7.836 0.295 1
1 291 . 2 1 1 A 33 33 GLU HA H 33 4.090 4.140 -0.050 1
1 295 . 2 1 1 A 33 33 GLU CA C 33 59.018 58.740 0.278 1
1 296 . 2 1 1 A 33 33 GLU CB C 33 29.103 29.306 -0.203 1
1 298 . 2 1 1 A 33 33 GLU N N 33 121.845 118.802 3.043 1
1 299 . 2 1 1 A 34 34 LEU H H 34 7.318 7.350 -0.032 1
1 300 . 2 1 1 A 34 34 LEU HA H 34 4.385 4.366 0.019 1
1 310 . 2 1 1 A 34 34 LEU CA C 34 54.830 55.219 -0.389 1
1 311 . 2 1 1 A 34 34 LEU CB C 34 42.243 42.628 -0.385 1
1 315 . 2 1 1 A 34 34 LEU N N 34 117.966 118.062 -0.096 1
1 316 . 2 1 1 A 35 35 GLY H H 35 7.931 7.766 0.165 1
1 317 . 2 1 1 A 35 35 GLY HA2 H 35 3.793 3.988 -0.195 1
1 318 . 2 1 1 A 35 35 GLY HA3 H 35 4.251 3.988 0.263 1
1 319 . 2 1 1 A 35 35 GLY CA C 35 39.163 45.750 -6.587 1
1 320 . 2 1 1 A 35 35 GLY N N 35 107.160 106.413 0.747 1
1 321 . 2 1 1 A 36 36 ARG H H 36 7.772 7.551 0.221 1
1 322 . 2 1 1 A 36 36 ARG HA H 36 4.700 4.681 0.019 1
1 329 . 2 1 1 A 36 36 ARG CA C 36 52.697 54.964 -2.267 1
1 330 . 2 1 1 A 36 36 ARG CB C 36 27.998 32.557 -4.559 1
1 333 . 2 1 1 A 36 36 ARG N N 36 119.227 119.495 -0.268 1
1 334 . 2 1 1 A 37 37 LYS H H 37 9.057 9.170 -0.113 1
1 335 . 2 1 1 A 37 37 LYS HA H 37 4.220 4.469 -0.249 1
1 342 . 2 1 1 A 37 37 LYS CA C 37 58.398 57.490 0.908 1
1 343 . 2 1 1 A 37 37 LYS CB C 37 33.797 35.820 -2.023 1
1 346 . 2 1 1 A 37 37 LYS N N 37 119.506 122.371 -2.865 1
1 347 . 2 1 1 A 38 38 ARG H H 38 8.278 8.103 0.175 1
1 348 . 2 1 1 A 38 38 ARG HA H 38 4.721 4.839 -0.118 1
1 354 . 2 1 1 A 38 38 ARG CA C 38 54.582 54.184 0.398 1
1 355 . 2 1 1 A 38 38 ARG CB C 38 32.642 33.720 -1.078 1
1 358 . 2 1 1 A 38 38 ARG N N 38 113.248 119.614 -6.366 1
1 359 . 2 1 1 A 39 39 GLY H H 39 9.055 8.746 0.309 1
1 360 . 2 1 1 A 39 39 GLY HA2 H 39 3.895 4.339 -0.444 1
1 361 . 2 1 1 A 39 39 GLY HA3 H 39 5.551 4.339 1.212 1
1 362 . 2 1 1 A 39 39 GLY CA C 39 46.770 44.757 2.013 1
1 363 . 2 1 1 A 39 39 GLY N N 39 107.276 111.093 -3.817 1
1 364 . 2 1 1 A 40 40 GLN H H 40 9.453 9.364 0.089 1
1 365 . 2 1 1 A 40 40 GLN HA H 40 4.717 4.753 -0.036 1
1 370 . 2 1 1 A 40 40 GLN CA C 40 54.463 54.608 -0.145 1
1 371 . 2 1 1 A 40 40 GLN CB C 40 32.364 31.455 0.909 1
1 373 . 2 1 1 A 40 40 GLN N N 40 120.430 124.118 -3.688 1
1 374 . 2 1 1 A 41 41 CYS H H 41 9.208 7.531 1.677 1
1 375 . 2 1 1 A 41 41 CYS HA H 41 5.935 4.864 1.071 1
1 378 . 2 1 1 A 41 41 CYS CA C 41 59.537 54.374 5.163 1
1 379 . 2 1 1 A 41 41 CYS CB C 41 48.386 41.748 6.638 1
1 380 . 2 1 1 A 41 41 CYS N N 41 122.768 122.271 0.497 1
1 381 . 2 1 1 A 42 42 GLU H H 42 9.529 8.589 0.940 1
1 382 . 2 1 1 A 42 42 GLU HA H 42 5.066 4.800 0.266 1
1 386 . 2 1 1 A 42 42 GLU CA C 42 54.869 54.262 0.607 1
1 387 . 2 1 1 A 42 42 GLU CB C 42 35.149 32.567 2.582 1
1 389 . 2 1 1 A 42 42 GLU N N 42 122.626 125.056 -2.430 1
1 390 . 2 1 1 A 43 43 GLU H H 43 8.450 8.209 0.241 1
1 391 . 2 1 1 A 43 43 GLU HA H 43 3.973 4.318 -0.345 1
1 396 . 2 1 1 A 43 43 GLU CA C 43 55.920 55.477 0.443 1
1 397 . 2 1 1 A 43 43 GLU CB C 43 29.068 28.171 0.897 1
1 399 . 2 1 1 A 43 43 GLU N N 43 122.712 122.155 0.557 1
1 400 . 2 1 1 A 44 44 LYS H H 44 8.051 7.752 0.299 1
1 401 . 2 1 1 A 44 44 LYS HA H 44 4.858 4.907 -0.049 1
1 408 . 2 1 1 A 44 44 LYS CA C 44 51.858 53.018 -1.160 1
1 409 . 2 1 1 A 44 44 LYS CB C 44 33.736 33.262 0.474 1
1 413 . 2 1 1 A 44 44 LYS N N 44 124.525 124.490 0.035 1
1 414 . 2 1 1 A 45 45 PRO HA H 45 4.371 4.445 -0.074 1
1 421 . 2 1 1 A 45 45 PRO CA C 45 64.556 64.193 0.363 1
1 422 . 2 1 1 A 45 45 PRO CB C 45 31.781 31.873 -0.092 1
1 425 . 2 1 1 A 46 46 SER H H 46 8.132 8.348 -0.216 1
1 426 . 2 1 1 A 46 46 SER HA H 46 4.119 4.291 -0.172 1
1 429 . 2 1 1 A 46 46 SER CA C 46 60.190 60.741 -0.551 1
1 430 . 2 1 1 A 46 46 SER CB C 46 62.093 62.938 -0.845 1
1 431 . 2 1 1 A 46 46 SER N N 46 109.975 113.482 -3.507 1
1 432 . 2 1 1 A 47 47 ARG H H 47 7.381 7.276 0.105 1
1 433 . 2 1 1 A 47 47 ARG HA H 47 4.448 4.353 0.095 1
1 438 . 2 1 1 A 47 47 ARG CA C 47 56.257 56.024 0.233 1
1 439 . 2 1 1 A 47 47 ARG CB C 47 32.699 31.192 1.507 1
1 442 . 2 1 1 A 47 47 ARG N N 47 120.043 116.795 3.248 1
1 443 . 2 1 1 A 48 48 CYS H H 48 7.864 7.865 -0.001 1
1 444 . 2 1 1 A 48 48 CYS HA H 48 5.145 4.969 0.176 1
1 447 . 2 1 1 A 48 48 CYS CA C 48 52.322 53.350 -1.028 1
1 448 . 2 1 1 A 48 48 CYS CB C 48 41.255 44.547 -3.292 1
1 449 . 2 1 1 A 48 48 CYS N N 48 118.806 117.055 1.751 1
1 450 . 2 1 1 A 49 49 PRO HA H 49 4.475 4.544 -0.069 1
1 457 . 2 1 1 A 49 49 PRO CA C 49 64.149 62.967 1.182 1
1 458 . 2 1 1 A 49 49 PRO CB C 49 32.684 29.903 2.781 1
1 461 . 2 1 1 A 50 50 LEU H H 50 8.839 7.946 0.893 1
1 462 . 2 1 1 A 50 50 LEU HA H 50 4.436 4.516 -0.080 1
1 472 . 2 1 1 A 50 50 LEU CA C 50 54.154 54.100 0.054 1
1 473 . 2 1 1 A 50 50 LEU CB C 50 41.344 43.346 -2.002 1
1 477 . 2 1 1 A 50 50 LEU N N 50 122.400 122.104 0.296 1
1 478 . 2 1 1 A 51 51 SER H H 51 8.563 8.885 -0.322 1
1 479 . 2 1 1 A 51 51 SER HA H 51 4.042 4.153 -0.111 1
1 481 . 2 1 1 A 51 51 SER CA C 51 60.771 61.384 -0.613 1
1 482 . 2 1 1 A 51 51 SER CB C 51 62.818 62.786 0.032 1
1 483 . 2 1 1 A 51 51 SER N N 51 120.571 120.480 0.091 1
1 484 . 2 1 1 A 52 52 LYS H H 52 8.067 7.898 0.169 1
1 485 . 2 1 1 A 52 52 LYS HA H 52 4.324 4.046 0.278 1
1 491 . 2 1 1 A 52 52 LYS CA C 52 56.796 58.721 -1.925 1
1 492 . 2 1 1 A 52 52 LYS CB C 52 31.870 32.009 -0.139 1
1 496 . 2 1 1 A 52 52 LYS N N 52 117.675 121.090 -3.415 1
1 497 . 2 1 1 A 53 53 LYS H H 53 7.619 7.550 0.069 1
1 498 . 2 1 1 A 53 53 LYS HA H 53 4.426 4.437 -0.011 1
1 504 . 2 1 1 A 53 53 LYS CA C 53 55.204 57.778 -2.574 1
1 505 . 2 1 1 A 53 53 LYS CB C 53 33.881 33.633 0.248 1
1 509 . 2 1 1 A 53 53 LYS N N 53 122.168 116.717 5.451 1
1 510 . 2 1 1 A 54 54 ALA H H 54 8.485 7.647 0.838 1
1 511 . 2 1 1 A 54 54 ALA HA H 54 4.410 4.004 0.406 1
1 515 . 2 1 1 A 54 54 ALA CA C 54 53.135 54.361 -1.226 1
1 516 . 2 1 1 A 54 54 ALA CB C 54 21.208 18.056 3.152 1
1 517 . 2 1 1 A 54 54 ALA N N 54 122.332 119.751 2.581 1
1 518 . 2 1 1 A 55 55 TRP H H 55 8.517 7.623 0.894 1
1 519 . 2 1 1 A 55 55 TRP HA H 55 4.676 4.884 -0.208 1
1 523 . 2 1 1 A 55 55 TRP CA C 55 57.259 56.837 0.422 1
1 524 . 2 1 1 A 55 55 TRP CB C 55 30.373 29.876 0.497 1
1 525 . 2 1 1 A 55 55 TRP N N 55 117.762 120.057 -2.295 1
1 527 . 2 1 1 A 56 56 THR H H 56 9.389 8.768 0.621 1
1 528 . 2 1 1 A 56 56 THR HA H 56 5.201 4.922 0.279 1
1 533 . 2 1 1 A 56 56 THR CA C 56 60.940 59.779 1.161 1
1 534 . 2 1 1 A 56 56 THR CB C 56 70.961 71.552 -0.591 1
1 536 . 2 1 1 A 56 56 THR N N 56 117.434 116.063 1.371 1
1 537 . 2 1 1 A 57 57 CYS H H 57 8.665 8.770 -0.105 1
1 538 . 2 1 1 A 57 57 CYS HA H 57 4.827 4.796 0.031 1
1 541 . 2 1 1 A 57 57 CYS CA C 57 56.272 56.224 0.048 1
1 542 . 2 1 1 A 57 57 CYS CB C 57 37.251 42.833 -5.582 1
1 543 . 2 1 1 A 57 57 CYS N N 57 126.085 123.392 2.693 1
1 544 . 2 1 1 A 58 58 ILE H H 58 9.150 9.276 -0.126 1
1 545 . 2 1 1 A 58 58 ILE HA H 58 4.297 4.350 -0.053 1
1 555 . 2 1 1 A 58 58 ILE CA C 58 58.322 60.295 -1.973 1
1 556 . 2 1 1 A 58 58 ILE CB C 58 37.652 38.077 -0.425 1
1 560 . 2 1 1 A 58 58 ILE N N 58 134.435 126.785 7.650 1
1 561 . 2 1 1 A 59 59 CYS H H 59 8.204 8.563 -0.359 1
1 562 . 2 1 1 A 59 59 CYS HA H 59 5.698 4.849 0.849 1
1 565 . 2 1 1 A 59 59 CYS CA C 59 51.508 56.089 -4.581 1
1 566 . 2 1 1 A 59 59 CYS CB C 59 36.523 42.035 -5.512 1
1 567 . 2 1 1 A 59 59 CYS N N 59 121.180 125.898 -4.718 1
1 8 . 3 1 1 A 2 2 ILE H H 2 8.299 8.504 -0.205 1
1 9 . 3 1 1 A 2 2 ILE HA H 2 4.139 4.482 -0.343 1
1 19 . 3 1 1 A 2 2 ILE CA C 2 61.463 59.473 1.990 1
1 20 . 3 1 1 A 2 2 ILE CB C 2 38.545 38.171 0.374 1
1 24 . 3 1 1 A 2 2 ILE N N 2 121.433 120.395 1.038 1
1 25 . 3 1 1 A 3 3 VAL H H 3 8.245 8.597 -0.352 1
1 26 . 3 1 1 A 3 3 VAL HA H 3 4.138 3.747 0.391 1
1 34 . 3 1 1 A 3 3 VAL CA C 3 61.813 62.490 -0.677 1
1 35 . 3 1 1 A 3 3 VAL CB C 3 32.887 30.515 2.372 1
1 38 . 3 1 1 A 3 3 VAL N N 3 123.973 119.322 4.651 1
1 39 . 3 1 1 A 4 4 ASP H H 4 8.320 8.011 0.309 1
1 40 . 3 1 1 A 4 4 ASP HA H 4 4.499 5.348 -0.849 1
1 43 . 3 1 1 A 4 4 ASP CA C 4 53.912 52.703 1.209 1
1 44 . 3 1 1 A 4 4 ASP CB C 4 41.523 44.742 -3.219 1
1 45 . 3 1 1 A 4 4 ASP N N 4 123.308 119.145 4.163 1
1 46 . 3 1 1 A 5 5 CYS H H 5 7.560 8.804 -1.244 1
1 47 . 3 1 1 A 5 5 CYS HA H 5 5.355 5.157 0.198 1
1 50 . 3 1 1 A 5 5 CYS CA C 5 54.544 56.070 -1.526 1
1 51 . 3 1 1 A 5 5 CYS CB C 5 44.815 45.649 -0.834 1
1 52 . 3 1 1 A 5 5 CYS N N 5 121.272 116.508 4.764 1
1 53 . 3 1 1 A 6 6 TRP H H 6 9.768 8.438 1.330 1
1 54 . 3 1 1 A 6 6 TRP HA H 6 4.727 5.004 -0.277 1
1 58 . 3 1 1 A 6 6 TRP CB C 6 34.880 32.561 2.319 1
1 59 . 3 1 1 A 6 6 TRP N N 6 120.939 127.730 -6.791 1
1 61 . 3 1 1 A 7 7 GLU H H 7 10.518 8.746 1.772 1
1 62 . 3 1 1 A 7 7 GLU HA H 7 4.872 4.105 0.767 1
1 66 . 3 1 1 A 7 7 GLU CA C 7 59.493 59.552 -0.059 1
1 67 . 3 1 1 A 7 7 GLU CB C 7 31.264 29.633 1.631 1
1 69 . 3 1 1 A 7 7 GLU N N 7 119.048 123.404 -4.356 1
1 70 . 3 1 1 A 8 8 THR H H 8 7.112 7.821 -0.709 1
1 71 . 3 1 1 A 8 8 THR HA H 8 4.509 4.289 0.220 1
1 76 . 3 1 1 A 8 8 THR CA C 8 57.991 63.261 -5.270 1
1 77 . 3 1 1 A 8 8 THR CB C 8 73.377 69.556 3.821 1
1 79 . 3 1 1 A 8 8 THR N N 8 103.295 112.391 -9.096 1
1 80 . 3 1 1 A 9 9 TRP H H 9 7.902 9.084 -1.182 1
1 81 . 3 1 1 A 9 9 TRP HA H 9 2.806 4.256 -1.450 1
1 85 . 3 1 1 A 9 9 TRP CA C 9 62.403 61.669 0.734 1
1 86 . 3 1 1 A 9 9 TRP CB C 9 26.876 30.118 -3.242 1
1 87 . 3 1 1 A 9 9 TRP N N 9 121.679 126.706 -5.027 1
1 89 . 3 1 1 A 10 10 SER H H 10 8.585 8.468 0.117 1
1 90 . 3 1 1 A 10 10 SER HA H 10 3.354 4.241 -0.887 1
1 93 . 3 1 1 A 10 10 SER CA C 10 61.924 61.573 0.351 1
1 94 . 3 1 1 A 10 10 SER CB C 10 62.121 62.693 -0.572 1
1 95 . 3 1 1 A 10 10 SER N N 10 114.940 115.270 -0.330 1
1 96 . 3 1 1 A 11 11 ARG H H 11 7.619 7.710 -0.091 1
1 97 . 3 1 1 A 11 11 ARG HA H 11 3.797 3.971 -0.174 1
1 103 . 3 1 1 A 11 11 ARG CA C 11 58.216 58.955 -0.739 1
1 104 . 3 1 1 A 11 11 ARG CB C 11 30.189 29.764 0.425 1
1 107 . 3 1 1 A 11 11 ARG N N 11 120.414 120.220 0.194 1
1 108 . 3 1 1 A 12 12 CYS H H 12 6.939 8.366 -1.427 1
1 109 . 3 1 1 A 12 12 CYS HA H 12 2.633 4.326 -1.693 1
1 112 . 3 1 1 A 12 12 CYS CA C 12 58.084 59.046 -0.962 1
1 113 . 3 1 1 A 12 12 CYS CB C 12 41.245 42.072 -0.827 1
1 114 . 3 1 1 A 12 12 CYS N N 12 114.990 117.273 -2.283 1
1 115 . 3 1 1 A 13 13 THR H H 13 7.600 7.396 0.204 1
1 116 . 3 1 1 A 13 13 THR HA H 13 3.346 4.208 -0.862 1
1 121 . 3 1 1 A 13 13 THR CA C 13 66.553 65.970 0.583 1
1 122 . 3 1 1 A 13 13 THR CB C 13 68.908 68.673 0.235 1
1 124 . 3 1 1 A 13 13 THR N N 13 115.078 116.495 -1.417 1
1 125 . 3 1 1 A 14 14 LYS H H 14 7.138 7.937 -0.799 1
1 126 . 3 1 1 A 14 14 LYS HA H 14 4.141 4.488 -0.347 1
1 132 . 3 1 1 A 14 14 LYS CA C 14 56.515 55.431 1.084 1
1 133 . 3 1 1 A 14 14 LYS CB C 14 33.392 32.871 0.521 1
1 137 . 3 1 1 A 14 14 LYS N N 14 119.549 117.314 2.235 1
1 138 . 3 1 1 A 15 15 TRP H H 15 7.747 7.631 0.116 1
1 139 . 3 1 1 A 15 15 TRP HA H 15 4.360 4.930 -0.570 1
1 143 . 3 1 1 A 15 15 TRP CA C 15 57.057 57.639 -0.582 1
1 144 . 3 1 1 A 15 15 TRP CB C 15 29.949 32.049 -2.100 1
1 145 . 3 1 1 A 15 15 TRP N N 15 122.233 122.536 -0.303 1
1 147 . 3 1 1 A 16 16 SER H H 16 7.845 8.351 -0.506 1
1 148 . 3 1 1 A 16 16 SER HA H 16 4.236 4.923 -0.687 1
1 151 . 3 1 1 A 16 16 SER CA C 16 57.866 57.264 0.602 1
1 152 . 3 1 1 A 16 16 SER CB C 16 64.242 65.652 -1.410 1
1 153 . 3 1 1 A 16 16 SER N N 16 116.282 120.066 -3.784 1
1 154 . 3 1 1 A 17 17 GLN H H 17 8.150 9.197 -1.047 1
1 155 . 3 1 1 A 17 17 GLN HA H 17 4.238 3.991 0.247 1
1 159 . 3 1 1 A 17 17 GLN CA C 17 55.929 59.621 -3.692 1
1 160 . 3 1 1 A 17 17 GLN CB C 17 29.663 28.808 0.855 1
1 162 . 3 1 1 A 17 17 GLN N N 17 122.525 127.520 -4.995 1
1 163 . 3 1 1 A 18 18 GLY H H 18 8.313 7.939 0.374 1
1 164 . 3 1 1 A 18 18 GLY HA2 H 18 3.928 3.992 -0.064 1
1 165 . 3 1 1 A 18 18 GLY N N 18 110.285 106.600 3.685 1
1 166 . 3 1 1 A 19 19 GLY H H 19 8.241 7.943 0.298 1
1 167 . 3 1 1 A 19 19 GLY HA2 H 19 3.939 4.225 -0.286 1
1 168 . 3 1 1 A 19 19 GLY N N 19 108.776 107.129 1.647 1
1 169 . 3 1 1 A 20 20 THR H H 20 8.166 8.385 -0.219 1
1 170 . 3 1 1 A 20 20 THR HA H 20 4.318 4.036 0.282 1
1 175 . 3 1 1 A 20 20 THR CA C 20 61.985 64.213 -2.228 1
1 176 . 3 1 1 A 20 20 THR CB C 20 69.591 67.564 2.027 1
1 178 . 3 1 1 A 20 20 THR N N 20 113.035 109.793 3.242 1
1 179 . 3 1 1 A 21 21 GLY H H 21 8.423 8.427 -0.004 1
1 180 . 3 1 1 A 21 21 GLY HA2 H 21 3.836 4.026 -0.190 1
1 181 . 3 1 1 A 21 21 GLY HA3 H 21 4.047 4.026 0.021 1
1 182 . 3 1 1 A 21 21 GLY CA C 21 45.397 44.870 0.527 1
1 183 . 3 1 1 A 21 21 GLY N N 21 111.299 112.430 -1.131 1
1 184 . 3 1 1 A 22 22 THR H H 22 7.915 7.883 0.032 1
1 185 . 3 1 1 A 22 22 THR HA H 22 4.279 4.354 -0.075 1
1 190 . 3 1 1 A 22 22 THR CA C 22 61.845 63.903 -2.058 1
1 191 . 3 1 1 A 22 22 THR CB C 22 69.755 70.176 -0.421 1
1 193 . 3 1 1 A 22 22 THR N N 22 113.293 111.599 1.694 1
1 194 . 3 1 1 A 23 23 LEU H H 23 8.132 7.652 0.480 1
1 195 . 3 1 1 A 23 23 LEU HA H 23 4.282 4.682 -0.400 1
1 205 . 3 1 1 A 23 23 LEU CA C 23 55.052 54.272 0.780 1
1 206 . 3 1 1 A 23 23 LEU CB C 23 42.511 42.058 0.453 1
1 210 . 3 1 1 A 23 23 LEU N N 23 124.055 118.441 5.614 1
1 211 . 3 1 1 A 24 24 TRP H H 24 8.011 8.014 -0.003 1
1 212 . 3 1 1 A 24 24 TRP HA H 24 4.694 4.364 0.330 1
1 216 . 3 1 1 A 24 24 TRP CA C 24 56.611 60.110 -3.499 1
1 217 . 3 1 1 A 24 24 TRP CB C 24 30.203 28.356 1.847 1
1 218 . 3 1 1 A 24 24 TRP N N 24 122.196 121.468 0.728 1
1 220 . 3 1 1 A 25 25 LYS H H 25 8.384 7.007 1.377 1
1 221 . 3 1 1 A 25 25 LYS HA H 25 4.415 4.022 0.393 1
1 228 . 3 1 1 A 25 25 LYS CB C 25 34.608 30.776 3.832 1
1 232 . 3 1 1 A 25 25 LYS N N 25 122.979 116.458 6.521 1
1 233 . 3 1 1 A 26 26 SER H H 26 8.703 8.431 0.272 1
1 234 . 3 1 1 A 26 26 SER HA H 26 4.689 4.745 -0.056 1
1 237 . 3 1 1 A 26 26 SER CA C 26 60.110 57.593 2.517 1
1 238 . 3 1 1 A 26 26 SER CB C 26 64.419 66.928 -2.509 1
1 239 . 3 1 1 A 26 26 SER N N 26 117.775 116.356 1.419 1
1 240 . 3 1 1 A 27 27 CYS H H 27 8.216 8.797 -0.581 1
1 241 . 3 1 1 A 27 27 CYS HA H 27 4.382 4.294 0.088 1
1 244 . 3 1 1 A 27 27 CYS CA C 27 58.151 59.810 -1.659 1
1 245 . 3 1 1 A 27 27 CYS CB C 27 36.051 41.851 -5.800 1
1 246 . 3 1 1 A 27 27 CYS N N 27 119.629 121.740 -2.111 1
1 247 . 3 1 1 A 28 28 ASN H H 28 8.640 8.280 0.360 1
1 248 . 3 1 1 A 28 28 ASN HA H 28 4.039 4.446 -0.407 1
1 251 . 3 1 1 A 28 28 ASN CA C 28 57.688 56.544 1.144 1
1 252 . 3 1 1 A 28 28 ASN CB C 28 39.578 39.277 0.301 1
1 253 . 3 1 1 A 28 28 ASN N N 28 117.431 119.232 -1.801 1
1 254 . 3 1 1 A 29 29 ASP H H 29 7.910 8.336 -0.426 1
1 255 . 3 1 1 A 29 29 ASP HA H 29 4.290 4.262 0.028 1
1 258 . 3 1 1 A 29 29 ASP CA C 29 57.649 57.627 0.022 1
1 259 . 3 1 1 A 29 29 ASP CB C 29 40.511 42.113 -1.602 1
1 260 . 3 1 1 A 29 29 ASP N N 29 117.680 119.594 -1.914 1
1 261 . 3 1 1 A 30 30 ARG H H 30 8.559 8.778 -0.219 1
1 262 . 3 1 1 A 30 30 ARG HA H 30 3.792 3.948 -0.156 1
1 267 . 3 1 1 A 30 30 ARG CA C 30 59.243 59.373 -0.130 1
1 268 . 3 1 1 A 30 30 ARG CB C 30 29.806 29.687 0.119 1
1 271 . 3 1 1 A 30 30 ARG N N 30 121.907 118.734 3.173 1
1 272 . 3 1 1 A 31 31 CYS H H 31 8.066 8.053 0.013 1
1 273 . 3 1 1 A 31 31 CYS HA H 31 4.285 4.372 -0.087 1
1 276 . 3 1 1 A 31 31 CYS CA C 31 58.396 59.140 -0.744 1
1 277 . 3 1 1 A 31 31 CYS CB C 31 36.213 42.201 -5.988 1
1 278 . 3 1 1 A 31 31 CYS N N 31 117.122 117.161 -0.039 1
1 279 . 3 1 1 A 32 32 LYS H H 32 8.096 8.279 -0.183 1
1 280 . 3 1 1 A 32 32 LYS HA H 32 4.402 4.184 0.218 1
1 286 . 3 1 1 A 32 32 LYS CA C 32 59.508 58.733 0.775 1
1 287 . 3 1 1 A 32 32 LYS CB C 32 31.698 32.607 -0.909 1
1 289 . 3 1 1 A 32 32 LYS N N 32 121.727 120.389 1.338 1
1 290 . 3 1 1 A 33 33 GLU H H 33 8.131 7.805 0.326 1
1 291 . 3 1 1 A 33 33 GLU HA H 33 4.090 4.110 -0.020 1
1 295 . 3 1 1 A 33 33 GLU CA C 33 59.018 58.827 0.191 1
1 296 . 3 1 1 A 33 33 GLU CB C 33 29.103 29.573 -0.470 1
1 298 . 3 1 1 A 33 33 GLU N N 33 121.845 120.226 1.619 1
1 299 . 3 1 1 A 34 34 LEU H H 34 7.318 7.391 -0.073 1
1 300 . 3 1 1 A 34 34 LEU HA H 34 4.385 4.411 -0.026 1
1 310 . 3 1 1 A 34 34 LEU CA C 34 54.830 55.560 -0.730 1
1 311 . 3 1 1 A 34 34 LEU CB C 34 42.243 42.883 -0.640 1
1 315 . 3 1 1 A 34 34 LEU N N 34 117.966 119.221 -1.255 1
1 316 . 3 1 1 A 35 35 GLY H H 35 7.931 7.828 0.103 1
1 317 . 3 1 1 A 35 35 GLY HA2 H 35 3.793 4.068 -0.275 1
1 318 . 3 1 1 A 35 35 GLY HA3 H 35 4.251 4.068 0.183 1
1 319 . 3 1 1 A 35 35 GLY CA C 35 39.163 45.728 -6.565 1
1 320 . 3 1 1 A 35 35 GLY N N 35 107.160 107.682 -0.522 1
1 321 . 3 1 1 A 36 36 ARG H H 36 7.772 7.667 0.105 1
1 322 . 3 1 1 A 36 36 ARG HA H 36 4.700 4.698 0.002 1
1 329 . 3 1 1 A 36 36 ARG CA C 36 52.697 54.331 -1.634 1
1 330 . 3 1 1 A 36 36 ARG CB C 36 27.998 32.702 -4.704 1
1 333 . 3 1 1 A 36 36 ARG N N 36 119.227 119.282 -0.055 1
1 334 . 3 1 1 A 37 37 LYS H H 37 9.057 8.944 0.113 1
1 335 . 3 1 1 A 37 37 LYS HA H 37 4.220 4.414 -0.194 1
1 342 . 3 1 1 A 37 37 LYS CA C 37 58.398 57.657 0.741 1
1 343 . 3 1 1 A 37 37 LYS CB C 37 33.797 32.841 0.956 1
1 346 . 3 1 1 A 37 37 LYS N N 37 119.506 119.666 -0.160 1
1 347 . 3 1 1 A 38 38 ARG H H 38 8.278 7.594 0.684 1
1 348 . 3 1 1 A 38 38 ARG HA H 38 4.721 4.747 -0.026 1
1 354 . 3 1 1 A 38 38 ARG CA C 38 54.582 55.123 -0.541 1
1 355 . 3 1 1 A 38 38 ARG CB C 38 32.642 33.599 -0.957 1
1 358 . 3 1 1 A 38 38 ARG N N 38 113.248 113.657 -0.409 1
1 359 . 3 1 1 A 39 39 GLY H H 39 9.055 8.448 0.607 1
1 360 . 3 1 1 A 39 39 GLY HA2 H 39 3.895 4.386 -0.491 1
1 361 . 3 1 1 A 39 39 GLY HA3 H 39 5.551 4.386 1.165 1
1 362 . 3 1 1 A 39 39 GLY CA C 39 46.770 45.831 0.939 1
1 363 . 3 1 1 A 39 39 GLY N N 39 107.276 106.319 0.957 1
1 364 . 3 1 1 A 40 40 GLN H H 40 9.453 8.370 1.083 1
1 365 . 3 1 1 A 40 40 GLN HA H 40 4.717 4.822 -0.105 1
1 370 . 3 1 1 A 40 40 GLN CA C 40 54.463 53.875 0.588 1
1 371 . 3 1 1 A 40 40 GLN CB C 40 32.364 32.774 -0.410 1
1 373 . 3 1 1 A 40 40 GLN N N 40 120.430 118.031 2.399 1
1 374 . 3 1 1 A 41 41 CYS H H 41 9.208 8.369 0.839 1
1 375 . 3 1 1 A 41 41 CYS HA H 41 5.935 4.739 1.196 1
1 378 . 3 1 1 A 41 41 CYS CA C 41 59.537 54.951 4.586 1
1 379 . 3 1 1 A 41 41 CYS CB C 41 48.386 42.195 6.191 1
1 380 . 3 1 1 A 41 41 CYS N N 41 122.768 119.062 3.706 1
1 381 . 3 1 1 A 42 42 GLU H H 42 9.529 9.464 0.065 1
1 382 . 3 1 1 A 42 42 GLU HA H 42 5.066 4.810 0.256 1
1 386 . 3 1 1 A 42 42 GLU CA C 42 54.869 54.790 0.079 1
1 387 . 3 1 1 A 42 42 GLU CB C 42 35.149 31.687 3.462 1
1 389 . 3 1 1 A 42 42 GLU N N 42 122.626 125.873 -3.247 1
1 390 . 3 1 1 A 43 43 GLU H H 43 8.450 8.400 0.050 1
1 391 . 3 1 1 A 43 43 GLU HA H 43 3.973 4.395 -0.422 1
1 396 . 3 1 1 A 43 43 GLU CA C 43 55.920 56.103 -0.183 1
1 397 . 3 1 1 A 43 43 GLU CB C 43 29.068 28.093 0.975 1
1 399 . 3 1 1 A 43 43 GLU N N 43 122.712 122.146 0.566 1
1 400 . 3 1 1 A 44 44 LYS H H 44 8.051 7.728 0.323 1
1 401 . 3 1 1 A 44 44 LYS HA H 44 4.858 4.900 -0.042 1
1 408 . 3 1 1 A 44 44 LYS CA C 44 51.858 52.462 -0.604 1
1 409 . 3 1 1 A 44 44 LYS CB C 44 33.736 34.736 -1.000 1
1 413 . 3 1 1 A 44 44 LYS N N 44 124.525 123.351 1.174 1
1 414 . 3 1 1 A 45 45 PRO HA H 45 4.371 4.498 -0.127 1
1 421 . 3 1 1 A 45 45 PRO CA C 45 64.556 63.937 0.619 1
1 422 . 3 1 1 A 45 45 PRO CB C 45 31.781 32.782 -1.001 1
1 425 . 3 1 1 A 46 46 SER H H 46 8.132 8.595 -0.463 1
1 426 . 3 1 1 A 46 46 SER HA H 46 4.119 4.196 -0.077 1
1 429 . 3 1 1 A 46 46 SER CA C 46 60.190 61.276 -1.086 1
1 430 . 3 1 1 A 46 46 SER CB C 46 62.093 63.035 -0.942 1
1 431 . 3 1 1 A 46 46 SER N N 46 109.975 115.189 -5.214 1
1 432 . 3 1 1 A 47 47 ARG H H 47 7.381 8.038 -0.657 1
1 433 . 3 1 1 A 47 47 ARG HA H 47 4.448 4.446 0.002 1
1 438 . 3 1 1 A 47 47 ARG CA C 47 56.257 55.029 1.228 1
1 439 . 3 1 1 A 47 47 ARG CB C 47 32.699 30.289 2.410 1
1 442 . 3 1 1 A 47 47 ARG N N 47 120.043 116.119 3.924 1
1 443 . 3 1 1 A 48 48 CYS H H 48 7.864 7.347 0.517 1
1 444 . 3 1 1 A 48 48 CYS HA H 48 5.145 4.962 0.183 1
1 447 . 3 1 1 A 48 48 CYS CA C 48 52.322 53.070 -0.748 1
1 448 . 3 1 1 A 48 48 CYS CB C 48 41.255 45.175 -3.920 1
1 449 . 3 1 1 A 48 48 CYS N N 48 118.806 119.099 -0.293 1
1 450 . 3 1 1 A 49 49 PRO HA H 49 4.475 4.590 -0.115 1
1 457 . 3 1 1 A 49 49 PRO CA C 49 64.149 63.755 0.394 1
1 458 . 3 1 1 A 49 49 PRO CB C 49 32.684 31.956 0.728 1
1 461 . 3 1 1 A 50 50 LEU H H 50 8.839 7.372 1.467 1
1 462 . 3 1 1 A 50 50 LEU HA H 50 4.436 4.569 -0.133 1
1 472 . 3 1 1 A 50 50 LEU CA C 50 54.154 53.768 0.386 1
1 473 . 3 1 1 A 50 50 LEU CB C 50 41.344 43.316 -1.972 1
1 477 . 3 1 1 A 50 50 LEU N N 50 122.400 121.112 1.288 1
1 478 . 3 1 1 A 51 51 SER H H 51 8.563 9.157 -0.594 1
1 479 . 3 1 1 A 51 51 SER HA H 51 4.042 4.202 -0.160 1
1 481 . 3 1 1 A 51 51 SER CA C 51 60.771 61.168 -0.397 1
1 482 . 3 1 1 A 51 51 SER CB C 51 62.818 63.319 -0.501 1
1 483 . 3 1 1 A 51 51 SER N N 51 120.571 119.147 1.424 1
1 484 . 3 1 1 A 52 52 LYS H H 52 8.067 8.052 0.015 1
1 485 . 3 1 1 A 52 52 LYS HA H 52 4.324 3.925 0.399 1
1 491 . 3 1 1 A 52 52 LYS CA C 52 56.796 59.550 -2.754 1
1 492 . 3 1 1 A 52 52 LYS CB C 52 31.870 31.991 -0.121 1
1 496 . 3 1 1 A 52 52 LYS N N 52 117.675 122.419 -4.744 1
1 497 . 3 1 1 A 53 53 LYS H H 53 7.619 7.783 -0.164 1
1 498 . 3 1 1 A 53 53 LYS HA H 53 4.426 4.233 0.193 1
1 504 . 3 1 1 A 53 53 LYS CA C 53 55.204 58.761 -3.557 1
1 505 . 3 1 1 A 53 53 LYS CB C 53 33.881 32.176 1.705 1
1 509 . 3 1 1 A 53 53 LYS N N 53 122.168 118.963 3.205 1
1 510 . 3 1 1 A 54 54 ALA H H 54 8.485 7.564 0.921 1
1 511 . 3 1 1 A 54 54 ALA HA H 54 4.410 3.980 0.430 1
1 515 . 3 1 1 A 54 54 ALA CA C 54 53.135 53.383 -0.248 1
1 516 . 3 1 1 A 54 54 ALA CB C 54 21.208 17.134 4.074 1
1 517 . 3 1 1 A 54 54 ALA N N 54 122.332 119.809 2.523 1
1 518 . 3 1 1 A 55 55 TRP H H 55 8.517 7.434 1.083 1
1 519 . 3 1 1 A 55 55 TRP HA H 55 4.676 5.182 -0.506 1
1 523 . 3 1 1 A 55 55 TRP CA C 55 57.259 55.912 1.347 1
1 524 . 3 1 1 A 55 55 TRP CB C 55 30.373 30.698 -0.325 1
1 525 . 3 1 1 A 55 55 TRP N N 55 117.762 119.048 -1.286 1
1 527 . 3 1 1 A 56 56 THR H H 56 9.389 8.971 0.418 1
1 528 . 3 1 1 A 56 56 THR HA H 56 5.201 5.002 0.199 1
1 533 . 3 1 1 A 56 56 THR CA C 56 60.940 59.692 1.248 1
1 534 . 3 1 1 A 56 56 THR CB C 56 70.961 71.155 -0.194 1
1 536 . 3 1 1 A 56 56 THR N N 56 117.434 117.718 -0.284 1
1 537 . 3 1 1 A 57 57 CYS H H 57 8.665 9.193 -0.528 1
1 538 . 3 1 1 A 57 57 CYS HA H 57 4.827 4.744 0.083 1
1 541 . 3 1 1 A 57 57 CYS CA C 57 56.272 55.318 0.954 1
1 542 . 3 1 1 A 57 57 CYS CB C 57 37.251 40.945 -3.694 1
1 543 . 3 1 1 A 57 57 CYS N N 57 126.085 123.059 3.026 1
1 544 . 3 1 1 A 58 58 ILE H H 58 9.150 8.326 0.824 1
1 545 . 3 1 1 A 58 58 ILE HA H 58 4.297 4.284 0.013 1
1 555 . 3 1 1 A 58 58 ILE CA C 58 58.322 61.250 -2.928 1
1 556 . 3 1 1 A 58 58 ILE CB C 58 37.652 36.987 0.665 1
1 560 . 3 1 1 A 58 58 ILE N N 58 134.435 126.256 8.179 1
1 561 . 3 1 1 A 59 59 CYS H H 59 8.204 8.868 -0.664 1
1 562 . 3 1 1 A 59 59 CYS HA H 59 5.698 5.310 0.388 1
1 565 . 3 1 1 A 59 59 CYS CA C 59 51.508 55.239 -3.731 1
1 566 . 3 1 1 A 59 59 CYS CB C 59 36.523 45.077 -8.554 1
1 567 . 3 1 1 A 59 59 CYS N N 59 121.180 127.613 -6.433 1
1 8 . 4 1 1 A 2 2 ILE H H 2 8.299 8.648 -0.349 1
1 9 . 4 1 1 A 2 2 ILE HA H 2 4.139 nan 4.139 1
1 19 . 4 1 1 A 2 2 ILE CA C 2 61.463 62.138 -0.675 1
1 20 . 4 1 1 A 2 2 ILE CB C 2 38.545 36.643 1.902 1
1 24 . 4 1 1 A 2 2 ILE N N 2 121.433 121.042 0.391 1
1 25 . 4 1 1 A 3 3 VAL H H 3 8.245 8.946 -0.701 1
1 26 . 4 1 1 A 3 3 VAL HA H 3 4.138 nan 4.138 1
1 34 . 4 1 1 A 3 3 VAL CA C 3 61.813 61.116 0.697 1
1 35 . 4 1 1 A 3 3 VAL CB C 3 32.887 34.073 -1.186 1
1 38 . 4 1 1 A 3 3 VAL N N 3 123.973 128.675 -4.702 1
1 39 . 4 1 1 A 4 4 ASP H H 4 8.320 8.856 -0.536 1
1 40 . 4 1 1 A 4 4 ASP HA H 4 4.499 nan 4.499 1
1 43 . 4 1 1 A 4 4 ASP CA C 4 53.912 52.808 1.104 1
1 44 . 4 1 1 A 4 4 ASP CB C 4 41.523 43.475 -1.952 1
1 45 . 4 1 1 A 4 4 ASP N N 4 123.308 125.388 -2.080 1
1 46 . 4 1 1 A 5 5 CYS H H 5 7.560 8.493 -0.933 1
1 47 . 4 1 1 A 5 5 CYS HA H 5 5.355 nan 5.355 1
1 50 . 4 1 1 A 5 5 CYS CA C 5 54.544 55.061 -0.517 1
1 51 . 4 1 1 A 5 5 CYS CB C 5 44.815 47.928 -3.113 1
1 52 . 4 1 1 A 5 5 CYS N N 5 121.272 116.506 4.766 1
1 53 . 4 1 1 A 6 6 TRP H H 6 9.768 8.802 0.966 1
1 54 . 4 1 1 A 6 6 TRP HA H 6 4.727 nan 4.727 1
1 58 . 4 1 1 A 6 6 TRP CB C 6 34.880 34.102 0.778 1
1 59 . 4 1 1 A 6 6 TRP N N 6 120.939 122.275 -1.336 1
1 61 . 4 1 1 A 7 7 GLU H H 7 10.518 9.188 1.330 1
1 62 . 4 1 1 A 7 7 GLU HA H 7 4.872 nan 4.872 1
1 66 . 4 1 1 A 7 7 GLU CA C 7 59.493 55.438 4.055 1
1 67 . 4 1 1 A 7 7 GLU CB C 7 31.264 31.639 -0.375 1
1 69 . 4 1 1 A 7 7 GLU N N 7 119.048 118.748 0.300 1
1 70 . 4 1 1 A 8 8 THR H H 8 7.112 8.899 -1.787 1
1 71 . 4 1 1 A 8 8 THR HA H 8 4.509 nan 4.509 1
1 76 . 4 1 1 A 8 8 THR CA C 8 57.991 64.422 -6.431 1
1 77 . 4 1 1 A 8 8 THR CB C 8 73.377 67.409 5.968 1
1 79 . 4 1 1 A 8 8 THR N N 8 103.295 113.236 -9.941 1
1 80 . 4 1 1 A 9 9 TRP H H 9 7.902 8.134 -0.232 1
1 81 . 4 1 1 A 9 9 TRP HA H 9 2.806 nan 2.806 1
1 85 . 4 1 1 A 9 9 TRP CA C 9 62.403 58.086 4.317 1
1 86 . 4 1 1 A 9 9 TRP CB C 9 26.876 30.386 -3.510 1
1 87 . 4 1 1 A 9 9 TRP N N 9 121.679 125.119 -3.440 1
1 89 . 4 1 1 A 10 10 SER H H 10 8.585 8.644 -0.059 1
1 90 . 4 1 1 A 10 10 SER HA H 10 3.354 nan 3.354 1
1 93 . 4 1 1 A 10 10 SER CA C 10 61.924 59.846 2.078 1
1 94 . 4 1 1 A 10 10 SER CB C 10 62.121 63.356 -1.235 1
1 95 . 4 1 1 A 10 10 SER N N 10 114.940 115.941 -1.001 1
1 96 . 4 1 1 A 11 11 ARG H H 11 7.619 7.821 -0.202 1
1 97 . 4 1 1 A 11 11 ARG HA H 11 3.797 nan 3.797 1
1 103 . 4 1 1 A 11 11 ARG CA C 11 58.216 59.301 -1.085 1
1 104 . 4 1 1 A 11 11 ARG CB C 11 30.189 29.364 0.825 1
1 107 . 4 1 1 A 11 11 ARG N N 11 120.414 121.452 -1.038 1
1 108 . 4 1 1 A 12 12 CYS H H 12 6.939 8.135 -1.196 1
1 109 . 4 1 1 A 12 12 CYS HA H 12 2.633 nan 2.633 1
1 112 . 4 1 1 A 12 12 CYS CA C 12 58.084 59.034 -0.950 1
1 113 . 4 1 1 A 12 12 CYS CB C 12 41.245 42.141 -0.896 1
1 114 . 4 1 1 A 12 12 CYS N N 12 114.990 116.723 -1.733 1
1 115 . 4 1 1 A 13 13 THR H H 13 7.600 7.838 -0.238 1
1 116 . 4 1 1 A 13 13 THR HA H 13 3.346 nan 3.346 1
1 121 . 4 1 1 A 13 13 THR CA C 13 66.553 65.290 1.263 1
1 122 . 4 1 1 A 13 13 THR CB C 13 68.908 68.751 0.157 1
1 124 . 4 1 1 A 13 13 THR N N 13 115.078 116.067 -0.989 1
1 125 . 4 1 1 A 14 14 LYS H H 14 7.138 7.558 -0.420 1
1 126 . 4 1 1 A 14 14 LYS HA H 14 4.141 nan 4.141 1
1 132 . 4 1 1 A 14 14 LYS CA C 14 56.515 55.781 0.734 1
1 133 . 4 1 1 A 14 14 LYS CB C 14 33.392 33.691 -0.299 1
1 137 . 4 1 1 A 14 14 LYS N N 14 119.549 119.139 0.410 1
1 138 . 4 1 1 A 15 15 TRP H H 15 7.747 7.496 0.251 1
1 139 . 4 1 1 A 15 15 TRP HA H 15 4.360 nan 4.360 1
1 143 . 4 1 1 A 15 15 TRP CA C 15 57.057 55.988 1.069 1
1 144 . 4 1 1 A 15 15 TRP CB C 15 29.949 33.509 -3.560 1
1 145 . 4 1 1 A 15 15 TRP N N 15 122.233 119.753 2.480 1
1 147 . 4 1 1 A 16 16 SER H H 16 7.845 8.946 -1.101 1
1 148 . 4 1 1 A 16 16 SER HA H 16 4.236 nan 4.236 1
1 151 . 4 1 1 A 16 16 SER CA C 16 57.866 57.433 0.433 1
1 152 . 4 1 1 A 16 16 SER CB C 16 64.242 66.791 -2.549 1
1 153 . 4 1 1 A 16 16 SER N N 16 116.282 115.372 0.910 1
1 154 . 4 1 1 A 17 17 GLN H H 17 8.150 8.538 -0.388 1
1 155 . 4 1 1 A 17 17 GLN HA H 17 4.238 nan 4.238 1
1 159 . 4 1 1 A 17 17 GLN CA C 17 55.929 55.252 0.677 1
1 160 . 4 1 1 A 17 17 GLN CB C 17 29.663 29.778 -0.115 1
1 162 . 4 1 1 A 17 17 GLN N N 17 122.525 119.919 2.606 1
1 163 . 4 1 1 A 18 18 GLY H H 18 8.313 8.432 -0.119 1
1 164 . 4 1 1 A 18 18 GLY HA2 H 18 3.928 3.943 -0.015 1
1 165 . 4 1 1 A 18 18 GLY N N 18 110.285 108.725 1.560 1
1 166 . 4 1 1 A 19 19 GLY H H 19 8.241 8.512 -0.271 1
1 167 . 4 1 1 A 19 19 GLY HA2 H 19 3.939 4.111 -0.172 1
1 168 . 4 1 1 A 19 19 GLY N N 19 108.776 106.705 2.071 1
1 169 . 4 1 1 A 20 20 THR H H 20 8.166 8.246 -0.080 1
1 170 . 4 1 1 A 20 20 THR HA H 20 4.318 nan 4.318 1
1 175 . 4 1 1 A 20 20 THR CA C 20 61.985 62.925 -0.940 1
1 176 . 4 1 1 A 20 20 THR CB C 20 69.591 66.806 2.785 1
1 178 . 4 1 1 A 20 20 THR N N 20 113.035 111.181 1.854 1
1 179 . 4 1 1 A 21 21 GLY H H 21 8.423 7.963 0.460 1
1 180 . 4 1 1 A 21 21 GLY HA2 H 21 3.836 4.097 -0.261 1
1 181 . 4 1 1 A 21 21 GLY HA3 H 21 4.047 4.097 -0.050 1
1 182 . 4 1 1 A 21 21 GLY CA C 21 45.397 45.566 -0.169 1
1 183 . 4 1 1 A 21 21 GLY N N 21 111.299 107.308 3.991 1
1 184 . 4 1 1 A 22 22 THR H H 22 7.915 7.442 0.473 1
1 185 . 4 1 1 A 22 22 THR HA H 22 4.279 nan 4.279 1
1 190 . 4 1 1 A 22 22 THR CA C 22 61.845 61.267 0.578 1
1 191 . 4 1 1 A 22 22 THR CB C 22 69.755 71.126 -1.371 1
1 193 . 4 1 1 A 22 22 THR N N 22 113.293 114.672 -1.379 1
1 194 . 4 1 1 A 23 23 LEU H H 23 8.132 7.326 0.806 1
1 195 . 4 1 1 A 23 23 LEU HA H 23 4.282 nan 4.282 1
1 205 . 4 1 1 A 23 23 LEU CA C 23 55.052 54.133 0.919 1
1 206 . 4 1 1 A 23 23 LEU CB C 23 42.511 41.602 0.909 1
1 210 . 4 1 1 A 23 23 LEU N N 23 124.055 120.214 3.841 1
1 211 . 4 1 1 A 24 24 TRP H H 24 8.011 7.243 0.768 1
1 212 . 4 1 1 A 24 24 TRP HA H 24 4.694 nan 4.694 1
1 216 . 4 1 1 A 24 24 TRP CA C 24 56.611 60.361 -3.750 1
1 217 . 4 1 1 A 24 24 TRP CB C 24 30.203 29.570 0.633 1
1 218 . 4 1 1 A 24 24 TRP N N 24 122.196 120.898 1.298 1
1 220 . 4 1 1 A 25 25 LYS H H 25 8.384 8.135 0.249 1
1 221 . 4 1 1 A 25 25 LYS HA H 25 4.415 nan 4.415 1
1 228 . 4 1 1 A 25 25 LYS CB C 25 34.608 31.082 3.526 1
1 232 . 4 1 1 A 25 25 LYS N N 25 122.979 118.363 4.616 1
1 233 . 4 1 1 A 26 26 SER H H 26 8.703 8.396 0.307 1
1 234 . 4 1 1 A 26 26 SER HA H 26 4.689 nan 4.689 1
1 237 . 4 1 1 A 26 26 SER CA C 26 60.110 57.236 2.874 1
1 238 . 4 1 1 A 26 26 SER CB C 26 64.419 65.344 -0.925 1
1 239 . 4 1 1 A 26 26 SER N N 26 117.775 113.174 4.601 1
1 240 . 4 1 1 A 27 27 CYS H H 27 8.216 9.336 -1.120 1
1 241 . 4 1 1 A 27 27 CYS HA H 27 4.382 nan 4.382 1
1 244 . 4 1 1 A 27 27 CYS CA C 27 58.151 60.224 -2.073 1
1 245 . 4 1 1 A 27 27 CYS CB C 27 36.051 41.886 -5.835 1
1 246 . 4 1 1 A 27 27 CYS N N 27 119.629 121.075 -1.446 1
1 247 . 4 1 1 A 28 28 ASN H H 28 8.640 8.461 0.179 1
1 248 . 4 1 1 A 28 28 ASN HA H 28 4.039 nan 4.039 1
1 251 . 4 1 1 A 28 28 ASN CA C 28 57.688 56.548 1.140 1
1 252 . 4 1 1 A 28 28 ASN CB C 28 39.578 38.776 0.802 1
1 253 . 4 1 1 A 28 28 ASN N N 28 117.431 120.269 -2.838 1
1 254 . 4 1 1 A 29 29 ASP H H 29 7.910 8.464 -0.554 1
1 255 . 4 1 1 A 29 29 ASP HA H 29 4.290 nan 4.290 1
1 258 . 4 1 1 A 29 29 ASP CA C 29 57.649 57.354 0.295 1
1 259 . 4 1 1 A 29 29 ASP CB C 29 40.511 41.100 -0.589 1
1 260 . 4 1 1 A 29 29 ASP N N 29 117.680 119.572 -1.892 1
1 261 . 4 1 1 A 30 30 ARG H H 30 8.559 8.166 0.393 1
1 262 . 4 1 1 A 30 30 ARG HA H 30 3.792 nan 3.792 1
1 267 . 4 1 1 A 30 30 ARG CA C 30 59.243 59.458 -0.215 1
1 268 . 4 1 1 A 30 30 ARG CB C 30 29.806 29.752 0.054 1
1 271 . 4 1 1 A 30 30 ARG N N 30 121.907 118.039 3.868 1
1 272 . 4 1 1 A 31 31 CYS H H 31 8.066 8.229 -0.163 1
1 273 . 4 1 1 A 31 31 CYS HA H 31 4.285 nan 4.285 1
1 276 . 4 1 1 A 31 31 CYS CA C 31 58.396 61.203 -2.807 1
1 277 . 4 1 1 A 31 31 CYS CB C 31 36.213 41.953 -5.740 1
1 278 . 4 1 1 A 31 31 CYS N N 31 117.122 118.761 -1.639 1
1 279 . 4 1 1 A 32 32 LYS H H 32 8.096 7.723 0.373 1
1 280 . 4 1 1 A 32 32 LYS HA H 32 4.402 nan 4.402 1
1 286 . 4 1 1 A 32 32 LYS CA C 32 59.508 59.726 -0.218 1
1 287 . 4 1 1 A 32 32 LYS CB C 32 31.698 32.085 -0.387 1
1 289 . 4 1 1 A 32 32 LYS N N 32 121.727 119.830 1.897 1
1 290 . 4 1 1 A 33 33 GLU H H 33 8.131 7.602 0.529 1
1 291 . 4 1 1 A 33 33 GLU HA H 33 4.090 nan 4.090 1
1 295 . 4 1 1 A 33 33 GLU CA C 33 59.018 59.142 -0.124 1
1 296 . 4 1 1 A 33 33 GLU CB C 33 29.103 29.544 -0.441 1
1 298 . 4 1 1 A 33 33 GLU N N 33 121.845 120.619 1.226 1
1 299 . 4 1 1 A 34 34 LEU H H 34 7.318 7.325 -0.007 1
1 300 . 4 1 1 A 34 34 LEU HA H 34 4.385 nan 4.385 1
1 310 . 4 1 1 A 34 34 LEU CA C 34 54.830 55.086 -0.256 1
1 311 . 4 1 1 A 34 34 LEU CB C 34 42.243 42.457 -0.214 1
1 315 . 4 1 1 A 34 34 LEU N N 34 117.966 118.242 -0.276 1
1 316 . 4 1 1 A 35 35 GLY H H 35 7.931 8.141 -0.210 1
1 317 . 4 1 1 A 35 35 GLY HA2 H 35 3.793 4.039 -0.246 1
1 318 . 4 1 1 A 35 35 GLY HA3 H 35 4.251 4.039 0.212 1
1 319 . 4 1 1 A 35 35 GLY CA C 35 39.163 46.271 -7.108 1
1 320 . 4 1 1 A 35 35 GLY N N 35 107.160 107.825 -0.665 1
1 321 . 4 1 1 A 36 36 ARG H H 36 7.772 8.187 -0.415 1
1 322 . 4 1 1 A 36 36 ARG HA H 36 4.700 nan 4.700 1
1 329 . 4 1 1 A 36 36 ARG CA C 36 52.697 54.587 -1.890 1
1 330 . 4 1 1 A 36 36 ARG CB C 36 27.998 32.792 -4.794 1
1 333 . 4 1 1 A 36 36 ARG N N 36 119.227 119.012 0.215 1
1 334 . 4 1 1 A 37 37 LYS H H 37 9.057 8.590 0.467 1
1 335 . 4 1 1 A 37 37 LYS HA H 37 4.220 nan 4.220 1
1 342 . 4 1 1 A 37 37 LYS CA C 37 58.398 57.273 1.125 1
1 343 . 4 1 1 A 37 37 LYS CB C 37 33.797 33.834 -0.037 1
1 346 . 4 1 1 A 37 37 LYS N N 37 119.506 119.489 0.017 1
1 347 . 4 1 1 A 38 38 ARG H H 38 8.278 7.872 0.406 1
1 348 . 4 1 1 A 38 38 ARG HA H 38 4.721 nan 4.721 1
1 354 . 4 1 1 A 38 38 ARG CA C 38 54.582 55.276 -0.694 1
1 355 . 4 1 1 A 38 38 ARG CB C 38 32.642 32.687 -0.045 1
1 358 . 4 1 1 A 38 38 ARG N N 38 113.248 115.851 -2.603 1
1 359 . 4 1 1 A 39 39 GLY H H 39 9.055 8.549 0.506 1
1 360 . 4 1 1 A 39 39 GLY HA2 H 39 3.895 4.458 -0.563 1
1 361 . 4 1 1 A 39 39 GLY HA3 H 39 5.551 4.458 1.093 1
1 362 . 4 1 1 A 39 39 GLY CA C 39 46.770 45.367 1.403 1
1 363 . 4 1 1 A 39 39 GLY N N 39 107.276 106.661 0.615 1
1 364 . 4 1 1 A 40 40 GLN H H 40 9.453 8.897 0.556 1
1 365 . 4 1 1 A 40 40 GLN HA H 40 4.717 nan 4.717 1
1 370 . 4 1 1 A 40 40 GLN CA C 40 54.463 54.079 0.384 1
1 371 . 4 1 1 A 40 40 GLN CB C 40 32.364 33.008 -0.644 1
1 373 . 4 1 1 A 40 40 GLN N N 40 120.430 120.368 0.062 1
1 374 . 4 1 1 A 41 41 CYS H H 41 9.208 8.556 0.652 1
1 375 . 4 1 1 A 41 41 CYS HA H 41 5.935 nan 5.935 1
1 378 . 4 1 1 A 41 41 CYS CA C 41 59.537 54.469 5.068 1
1 379 . 4 1 1 A 41 41 CYS CB C 41 48.386 43.246 5.140 1
1 380 . 4 1 1 A 41 41 CYS N N 41 122.768 118.395 4.373 1
1 381 . 4 1 1 A 42 42 GLU H H 42 9.529 9.424 0.105 1
1 382 . 4 1 1 A 42 42 GLU HA H 42 5.066 nan 5.066 1
1 386 . 4 1 1 A 42 42 GLU CA C 42 54.869 55.025 -0.156 1
1 387 . 4 1 1 A 42 42 GLU CB C 42 35.149 32.711 2.438 1
1 389 . 4 1 1 A 42 42 GLU N N 42 122.626 125.776 -3.150 1
1 390 . 4 1 1 A 43 43 GLU H H 43 8.450 8.450 0.000 1
1 391 . 4 1 1 A 43 43 GLU HA H 43 3.973 nan 3.973 1
1 396 . 4 1 1 A 43 43 GLU CA C 43 55.920 55.896 0.024 1
1 397 . 4 1 1 A 43 43 GLU CB C 43 29.068 27.793 1.275 1
1 399 . 4 1 1 A 43 43 GLU N N 43 122.712 122.598 0.114 1
1 400 . 4 1 1 A 44 44 LYS H H 44 8.051 7.660 0.391 1
1 401 . 4 1 1 A 44 44 LYS HA H 44 4.858 nan 4.858 1
1 408 . 4 1 1 A 44 44 LYS CA C 44 51.858 52.149 -0.291 1
1 409 . 4 1 1 A 44 44 LYS CB C 44 33.736 33.540 0.196 1
1 413 . 4 1 1 A 44 44 LYS N N 44 124.525 122.668 1.857 1
1 414 . 4 1 1 A 45 45 PRO HA H 45 4.371 nan 4.371 1
1 421 . 4 1 1 A 45 45 PRO CA C 45 64.556 62.613 1.943 1
1 422 . 4 1 1 A 45 45 PRO CB C 45 31.781 32.387 -0.606 1
1 425 . 4 1 1 A 46 46 SER H H 46 8.132 8.843 -0.711 1
1 426 . 4 1 1 A 46 46 SER HA H 46 4.119 nan 4.119 1
1 429 . 4 1 1 A 46 46 SER CA C 46 60.190 59.751 0.439 1
1 430 . 4 1 1 A 46 46 SER CB C 46 62.093 61.299 0.794 1
1 431 . 4 1 1 A 46 46 SER N N 46 109.975 117.253 -7.278 1
1 432 . 4 1 1 A 47 47 ARG H H 47 7.381 7.887 -0.506 1
1 433 . 4 1 1 A 47 47 ARG HA H 47 4.448 nan 4.448 1
1 438 . 4 1 1 A 47 47 ARG CA C 47 56.257 55.654 0.603 1
1 439 . 4 1 1 A 47 47 ARG CB C 47 32.699 31.163 1.536 1
1 442 . 4 1 1 A 47 47 ARG N N 47 120.043 116.048 3.995 1
1 443 . 4 1 1 A 48 48 CYS H H 48 7.864 7.651 0.213 1
1 444 . 4 1 1 A 48 48 CYS HA H 48 5.145 nan 5.145 1
1 447 . 4 1 1 A 48 48 CYS CA C 48 52.322 54.066 -1.744 1
1 448 . 4 1 1 A 48 48 CYS CB C 48 41.255 43.571 -2.316 1
1 449 . 4 1 1 A 48 48 CYS N N 48 118.806 118.634 0.172 1
1 450 . 4 1 1 A 49 49 PRO HA H 49 4.475 nan 4.475 1
1 457 . 4 1 1 A 49 49 PRO CA C 49 64.149 65.429 -1.280 1
1 458 . 4 1 1 A 49 49 PRO CB C 49 32.684 31.685 0.999 1
1 461 . 4 1 1 A 50 50 LEU H H 50 8.839 7.823 1.016 1
1 462 . 4 1 1 A 50 50 LEU HA H 50 4.436 nan 4.436 1
1 472 . 4 1 1 A 50 50 LEU CA C 50 54.154 53.078 1.076 1
1 473 . 4 1 1 A 50 50 LEU CB C 50 41.344 43.882 -2.538 1
1 477 . 4 1 1 A 50 50 LEU N N 50 122.400 119.605 2.795 1
1 478 . 4 1 1 A 51 51 SER H H 51 8.563 8.997 -0.434 1
1 479 . 4 1 1 A 51 51 SER HA H 51 4.042 nan 4.042 1
1 481 . 4 1 1 A 51 51 SER CA C 51 60.771 62.081 -1.310 1
1 482 . 4 1 1 A 51 51 SER CB C 51 62.818 62.662 0.156 1
1 483 . 4 1 1 A 51 51 SER N N 51 120.571 116.685 3.886 1
1 484 . 4 1 1 A 52 52 LYS H H 52 8.067 8.110 -0.043 1
1 485 . 4 1 1 A 52 52 LYS HA H 52 4.324 nan 4.324 1
1 491 . 4 1 1 A 52 52 LYS CA C 52 56.796 58.610 -1.814 1
1 492 . 4 1 1 A 52 52 LYS CB C 52 31.870 32.311 -0.441 1
1 496 . 4 1 1 A 52 52 LYS N N 52 117.675 121.222 -3.547 1
1 497 . 4 1 1 A 53 53 LYS H H 53 7.619 7.379 0.240 1
1 498 . 4 1 1 A 53 53 LYS HA H 53 4.426 nan 4.426 1
1 504 . 4 1 1 A 53 53 LYS CA C 53 55.204 55.758 -0.554 1
1 505 . 4 1 1 A 53 53 LYS CB C 53 33.881 31.789 2.092 1
1 509 . 4 1 1 A 53 53 LYS N N 53 122.168 115.957 6.211 1
1 510 . 4 1 1 A 54 54 ALA H H 54 8.485 7.607 0.878 1
1 511 . 4 1 1 A 54 54 ALA HA H 54 4.410 nan 4.410 1
1 515 . 4 1 1 A 54 54 ALA CA C 54 53.135 51.128 2.007 1
1 516 . 4 1 1 A 54 54 ALA CB C 54 21.208 18.616 2.592 1
1 517 . 4 1 1 A 54 54 ALA N N 54 122.332 123.308 -0.976 1
1 518 . 4 1 1 A 55 55 TRP H H 55 8.517 8.455 0.062 1
1 519 . 4 1 1 A 55 55 TRP HA H 55 4.676 nan 4.676 1
1 523 . 4 1 1 A 55 55 TRP CA C 55 57.259 56.701 0.558 1
1 524 . 4 1 1 A 55 55 TRP CB C 55 30.373 31.627 -1.254 1
1 525 . 4 1 1 A 55 55 TRP N N 55 117.762 122.034 -4.272 1
1 527 . 4 1 1 A 56 56 THR H H 56 9.389 9.376 0.013 1
1 528 . 4 1 1 A 56 56 THR HA H 56 5.201 nan 5.201 1
1 533 . 4 1 1 A 56 56 THR CA C 56 60.940 59.618 1.322 1
1 534 . 4 1 1 A 56 56 THR CB C 56 70.961 71.620 -0.659 1
1 536 . 4 1 1 A 56 56 THR N N 56 117.434 118.290 -0.856 1
1 537 . 4 1 1 A 57 57 CYS H H 57 8.665 8.568 0.097 1
1 538 . 4 1 1 A 57 57 CYS HA H 57 4.827 nan 4.827 1
1 541 . 4 1 1 A 57 57 CYS CA C 57 56.272 54.690 1.582 1
1 542 . 4 1 1 A 57 57 CYS CB C 57 37.251 42.506 -5.255 1
1 543 . 4 1 1 A 57 57 CYS N N 57 126.085 122.229 3.856 1
1 544 . 4 1 1 A 58 58 ILE H H 58 9.150 9.267 -0.117 1
1 545 . 4 1 1 A 58 58 ILE HA H 58 4.297 nan 4.297 1
1 555 . 4 1 1 A 58 58 ILE CA C 58 58.322 60.564 -2.242 1
1 556 . 4 1 1 A 58 58 ILE CB C 58 37.652 37.811 -0.159 1
1 560 . 4 1 1 A 58 58 ILE N N 58 134.435 125.533 8.902 1
1 561 . 4 1 1 A 59 59 CYS H H 59 8.204 9.157 -0.953 1
1 562 . 4 1 1 A 59 59 CYS HA H 59 5.698 nan 5.698 1
1 565 . 4 1 1 A 59 59 CYS CA C 59 51.508 55.463 -3.955 1
1 566 . 4 1 1 A 59 59 CYS CB C 59 36.523 44.956 -8.433 1
1 567 . 4 1 1 A 59 59 CYS N N 59 121.180 125.937 -4.757 1
1 8 . 5 1 1 A 2 2 ILE H H 2 8.299 8.395 -0.096 1
1 9 . 5 1 1 A 2 2 ILE HA H 2 4.139 4.866 -0.727 1
1 19 . 5 1 1 A 2 2 ILE CA C 2 61.463 60.732 0.731 1
1 20 . 5 1 1 A 2 2 ILE CB C 2 38.545 38.254 0.291 1
1 24 . 5 1 1 A 2 2 ILE N N 2 121.433 123.505 -2.072 1
1 25 . 5 1 1 A 3 3 VAL H H 3 8.245 7.376 0.869 1
1 26 . 5 1 1 A 3 3 VAL HA H 3 4.138 4.502 -0.364 1
1 34 . 5 1 1 A 3 3 VAL CA C 3 61.813 61.896 -0.083 1
1 35 . 5 1 1 A 3 3 VAL CB C 3 32.887 31.009 1.878 1
1 38 . 5 1 1 A 3 3 VAL N N 3 123.973 124.063 -0.090 1
1 39 . 5 1 1 A 4 4 ASP H H 4 8.320 8.121 0.199 1
1 40 . 5 1 1 A 4 4 ASP HA H 4 4.499 5.534 -1.035 1
1 43 . 5 1 1 A 4 4 ASP CA C 4 53.912 52.837 1.075 1
1 44 . 5 1 1 A 4 4 ASP CB C 4 41.523 43.676 -2.153 1
1 45 . 5 1 1 A 4 4 ASP N N 4 123.308 127.350 -4.042 1
1 46 . 5 1 1 A 5 5 CYS H H 5 7.560 8.741 -1.181 1
1 47 . 5 1 1 A 5 5 CYS HA H 5 5.355 5.510 -0.155 1
1 50 . 5 1 1 A 5 5 CYS CA C 5 54.544 55.190 -0.646 1
1 51 . 5 1 1 A 5 5 CYS CB C 5 44.815 44.122 0.693 1
1 52 . 5 1 1 A 5 5 CYS N N 5 121.272 122.938 -1.666 1
1 53 . 5 1 1 A 6 6 TRP H H 6 9.768 9.080 0.688 1
1 54 . 5 1 1 A 6 6 TRP HA H 6 4.727 4.896 -0.169 1
1 58 . 5 1 1 A 6 6 TRP CB C 6 34.880 30.476 4.404 1
1 59 . 5 1 1 A 6 6 TRP N N 6 120.939 124.367 -3.428 1
1 61 . 5 1 1 A 7 7 GLU H H 7 10.518 7.726 2.792 1
1 62 . 5 1 1 A 7 7 GLU HA H 7 4.872 4.864 0.008 1
1 66 . 5 1 1 A 7 7 GLU CA C 7 59.493 57.747 1.746 1
1 67 . 5 1 1 A 7 7 GLU CB C 7 31.264 31.300 -0.036 1
1 69 . 5 1 1 A 7 7 GLU N N 7 119.048 116.011 3.037 1
1 70 . 5 1 1 A 8 8 THR H H 8 7.112 7.549 -0.437 1
1 71 . 5 1 1 A 8 8 THR HA H 8 4.509 5.030 -0.521 1
1 76 . 5 1 1 A 8 8 THR CA C 8 57.991 59.751 -1.760 1
1 77 . 5 1 1 A 8 8 THR CB C 8 73.377 71.668 1.709 1
1 79 . 5 1 1 A 8 8 THR N N 8 103.295 108.817 -5.522 1
1 80 . 5 1 1 A 9 9 TRP H H 9 7.902 9.019 -1.117 1
1 81 . 5 1 1 A 9 9 TRP HA H 9 2.806 4.720 -1.914 1
1 85 . 5 1 1 A 9 9 TRP CA C 9 62.403 60.592 1.811 1
1 86 . 5 1 1 A 9 9 TRP CB C 9 26.876 29.081 -2.205 1
1 87 . 5 1 1 A 9 9 TRP N N 9 121.679 123.914 -2.235 1
1 89 . 5 1 1 A 10 10 SER H H 10 8.585 8.387 0.198 1
1 90 . 5 1 1 A 10 10 SER HA H 10 3.354 4.550 -1.196 1
1 93 . 5 1 1 A 10 10 SER CA C 10 61.924 61.555 0.369 1
1 94 . 5 1 1 A 10 10 SER CB C 10 62.121 62.507 -0.386 1
1 95 . 5 1 1 A 10 10 SER N N 10 114.940 113.776 1.164 1
1 96 . 5 1 1 A 11 11 ARG H H 11 7.619 7.302 0.317 1
1 97 . 5 1 1 A 11 11 ARG HA H 11 3.797 4.463 -0.666 1
1 103 . 5 1 1 A 11 11 ARG CA C 11 58.216 58.759 -0.543 1
1 104 . 5 1 1 A 11 11 ARG CB C 11 30.189 28.848 1.341 1
1 107 . 5 1 1 A 11 11 ARG N N 11 120.414 120.762 -0.348 1
1 108 . 5 1 1 A 12 12 CYS H H 12 6.939 7.744 -0.805 1
1 109 . 5 1 1 A 12 12 CYS HA H 12 2.633 4.611 -1.978 1
1 112 . 5 1 1 A 12 12 CYS CA C 12 58.084 59.140 -1.056 1
1 113 . 5 1 1 A 12 12 CYS CB C 12 41.245 41.809 -0.564 1
1 114 . 5 1 1 A 12 12 CYS N N 12 114.990 117.677 -2.687 1
1 115 . 5 1 1 A 13 13 THR H H 13 7.600 6.758 0.842 1
1 116 . 5 1 1 A 13 13 THR HA H 13 3.346 4.782 -1.436 1
1 121 . 5 1 1 A 13 13 THR CA C 13 66.553 62.462 4.091 1
1 122 . 5 1 1 A 13 13 THR CB C 13 68.908 69.839 -0.931 1
1 124 . 5 1 1 A 13 13 THR N N 13 115.078 108.361 6.717 1
1 125 . 5 1 1 A 14 14 LYS H H 14 7.138 7.075 0.063 1
1 126 . 5 1 1 A 14 14 LYS HA H 14 4.141 5.008 -0.867 1
1 132 . 5 1 1 A 14 14 LYS CA C 14 56.515 55.243 1.272 1
1 133 . 5 1 1 A 14 14 LYS CB C 14 33.392 33.681 -0.289 1
1 137 . 5 1 1 A 14 14 LYS N N 14 119.549 119.536 0.013 1
1 138 . 5 1 1 A 15 15 TRP H H 15 7.747 8.653 -0.906 1
1 139 . 5 1 1 A 15 15 TRP HA H 15 4.360 5.325 -0.965 1
1 143 . 5 1 1 A 15 15 TRP CA C 15 57.057 57.327 -0.270 1
1 144 . 5 1 1 A 15 15 TRP CB C 15 29.949 32.237 -2.288 1
1 145 . 5 1 1 A 15 15 TRP N N 15 122.233 124.875 -2.642 1
1 147 . 5 1 1 A 16 16 SER H H 16 7.845 7.702 0.143 1
1 148 . 5 1 1 A 16 16 SER HA H 16 4.236 5.209 -0.973 1
1 151 . 5 1 1 A 16 16 SER CA C 16 57.866 57.868 -0.002 1
1 152 . 5 1 1 A 16 16 SER CB C 16 64.242 65.285 -1.043 1
1 153 . 5 1 1 A 16 16 SER N N 16 116.282 116.924 -0.642 1
1 154 . 5 1 1 A 17 17 GLN H H 17 8.150 9.002 -0.852 1
1 155 . 5 1 1 A 17 17 GLN HA H 17 4.238 4.353 -0.115 1
1 159 . 5 1 1 A 17 17 GLN CA C 17 55.929 58.191 -2.262 1
1 160 . 5 1 1 A 17 17 GLN CB C 17 29.663 27.392 2.271 1
1 162 . 5 1 1 A 17 17 GLN N N 17 122.525 122.728 -0.203 1
1 163 . 5 1 1 A 18 18 GLY H H 18 8.313 8.452 -0.139 1
1 164 . 5 1 1 A 18 18 GLY HA2 H 18 3.928 4.415 -0.487 1
1 165 . 5 1 1 A 18 18 GLY N N 18 110.285 110.938 -0.653 1
1 166 . 5 1 1 A 19 19 GLY H H 19 8.241 7.721 0.520 1
1 167 . 5 1 1 A 19 19 GLY HA2 H 19 3.939 4.456 -0.517 1
1 168 . 5 1 1 A 19 19 GLY N N 19 108.776 107.902 0.874 1
1 169 . 5 1 1 A 20 20 THR H H 20 8.166 7.904 0.262 1
1 170 . 5 1 1 A 20 20 THR HA H 20 4.318 4.509 -0.191 1
1 175 . 5 1 1 A 20 20 THR CA C 20 61.985 63.499 -1.514 1
1 176 . 5 1 1 A 20 20 THR CB C 20 69.591 68.810 0.781 1
1 178 . 5 1 1 A 20 20 THR N N 20 113.035 118.935 -5.900 1
1 179 . 5 1 1 A 21 21 GLY H H 21 8.423 7.862 0.561 1
1 180 . 5 1 1 A 21 21 GLY HA2 H 21 3.836 4.471 -0.635 1
1 181 . 5 1 1 A 21 21 GLY HA3 H 21 4.047 4.471 -0.424 1
1 182 . 5 1 1 A 21 21 GLY CA C 21 45.397 45.023 0.374 1
1 183 . 5 1 1 A 21 21 GLY N N 21 111.299 113.920 -2.621 1
1 184 . 5 1 1 A 22 22 THR H H 22 7.915 7.961 -0.046 1
1 185 . 5 1 1 A 22 22 THR HA H 22 4.279 4.930 -0.651 1
1 190 . 5 1 1 A 22 22 THR CA C 22 61.845 61.601 0.244 1
1 191 . 5 1 1 A 22 22 THR CB C 22 69.755 68.800 0.955 1
1 193 . 5 1 1 A 22 22 THR N N 22 113.293 116.671 -3.378 1
1 194 . 5 1 1 A 23 23 LEU H H 23 8.132 7.676 0.456 1
1 195 . 5 1 1 A 23 23 LEU HA H 23 4.282 5.015 -0.733 1
1 205 . 5 1 1 A 23 23 LEU CA C 23 55.052 54.324 0.728 1
1 206 . 5 1 1 A 23 23 LEU CB C 23 42.511 41.569 0.942 1
1 210 . 5 1 1 A 23 23 LEU N N 23 124.055 119.194 4.861 1
1 211 . 5 1 1 A 24 24 TRP H H 24 8.011 7.974 0.037 1
1 212 . 5 1 1 A 24 24 TRP HA H 24 4.694 5.216 -0.522 1
1 216 . 5 1 1 A 24 24 TRP CA C 24 56.611 55.989 0.622 1
1 217 . 5 1 1 A 24 24 TRP CB C 24 30.203 29.881 0.322 1
1 218 . 5 1 1 A 24 24 TRP N N 24 122.196 120.468 1.728 1
1 220 . 5 1 1 A 25 25 LYS H H 25 8.384 8.962 -0.578 1
1 221 . 5 1 1 A 25 25 LYS HA H 25 4.415 4.274 0.141 1
1 228 . 5 1 1 A 25 25 LYS CB C 25 34.608 30.318 4.290 1
1 232 . 5 1 1 A 25 25 LYS N N 25 122.979 117.884 5.095 1
1 233 . 5 1 1 A 26 26 SER H H 26 8.703 8.412 0.291 1
1 234 . 5 1 1 A 26 26 SER HA H 26 4.689 4.819 -0.130 1
1 237 . 5 1 1 A 26 26 SER CA C 26 60.110 60.108 0.002 1
1 238 . 5 1 1 A 26 26 SER CB C 26 64.419 61.720 2.699 1
1 239 . 5 1 1 A 26 26 SER N N 26 117.775 107.505 10.270 1
1 240 . 5 1 1 A 27 27 CYS H H 27 8.216 8.650 -0.434 1
1 241 . 5 1 1 A 27 27 CYS HA H 27 4.382 4.688 -0.306 1
1 244 . 5 1 1 A 27 27 CYS CA C 27 58.151 58.720 -0.569 1
1 245 . 5 1 1 A 27 27 CYS CB C 27 36.051 42.220 -6.169 1
1 246 . 5 1 1 A 27 27 CYS N N 27 119.629 122.016 -2.387 1
1 247 . 5 1 1 A 28 28 ASN H H 28 8.640 8.268 0.372 1
1 248 . 5 1 1 A 28 28 ASN HA H 28 4.039 4.806 -0.767 1
1 251 . 5 1 1 A 28 28 ASN CA C 28 57.688 56.758 0.930 1
1 252 . 5 1 1 A 28 28 ASN CB C 28 39.578 39.329 0.249 1
1 253 . 5 1 1 A 28 28 ASN N N 28 117.431 120.459 -3.028 1
1 254 . 5 1 1 A 29 29 ASP H H 29 7.910 8.314 -0.404 1
1 255 . 5 1 1 A 29 29 ASP HA H 29 4.290 4.684 -0.394 1
1 258 . 5 1 1 A 29 29 ASP CA C 29 57.649 57.480 0.169 1
1 259 . 5 1 1 A 29 29 ASP CB C 29 40.511 41.150 -0.639 1
1 260 . 5 1 1 A 29 29 ASP N N 29 117.680 119.376 -1.696 1
1 261 . 5 1 1 A 30 30 ARG H H 30 8.559 7.355 1.204 1
1 262 . 5 1 1 A 30 30 ARG HA H 30 3.792 4.383 -0.591 1
1 267 . 5 1 1 A 30 30 ARG CA C 30 59.243 59.440 -0.197 1
1 268 . 5 1 1 A 30 30 ARG CB C 30 29.806 29.629 0.177 1
1 271 . 5 1 1 A 30 30 ARG N N 30 121.907 117.720 4.187 1
1 272 . 5 1 1 A 31 31 CYS H H 31 8.066 8.215 -0.149 1
1 273 . 5 1 1 A 31 31 CYS HA H 31 4.285 4.876 -0.591 1
1 276 . 5 1 1 A 31 31 CYS CA C 31 58.396 59.462 -1.066 1
1 277 . 5 1 1 A 31 31 CYS CB C 31 36.213 42.142 -5.929 1
1 278 . 5 1 1 A 31 31 CYS N N 31 117.122 118.195 -1.073 1
1 279 . 5 1 1 A 32 32 LYS H H 32 8.096 7.831 0.265 1
1 280 . 5 1 1 A 32 32 LYS HA H 32 4.402 4.346 0.056 1
1 286 . 5 1 1 A 32 32 LYS CA C 32 59.508 59.922 -0.414 1
1 287 . 5 1 1 A 32 32 LYS CB C 32 31.698 32.141 -0.443 1
1 289 . 5 1 1 A 32 32 LYS N N 32 121.727 120.659 1.068 1
1 290 . 5 1 1 A 33 33 GLU H H 33 8.131 8.517 -0.386 1
1 291 . 5 1 1 A 33 33 GLU HA H 33 4.090 4.484 -0.394 1
1 295 . 5 1 1 A 33 33 GLU CA C 33 59.018 58.684 0.334 1
1 296 . 5 1 1 A 33 33 GLU CB C 33 29.103 27.939 1.164 1
1 298 . 5 1 1 A 33 33 GLU N N 33 121.845 118.149 3.696 1
1 299 . 5 1 1 A 34 34 LEU H H 34 7.318 7.868 -0.550 1
1 300 . 5 1 1 A 34 34 LEU HA H 34 4.385 4.802 -0.417 1
1 310 . 5 1 1 A 34 34 LEU CA C 34 54.830 55.652 -0.822 1
1 311 . 5 1 1 A 34 34 LEU CB C 34 42.243 43.134 -0.891 1
1 315 . 5 1 1 A 34 34 LEU N N 34 117.966 120.487 -2.521 1
1 316 . 5 1 1 A 35 35 GLY H H 35 7.931 7.963 -0.032 1
1 317 . 5 1 1 A 35 35 GLY HA2 H 35 3.793 4.426 -0.633 1
1 318 . 5 1 1 A 35 35 GLY HA3 H 35 4.251 4.426 -0.175 1
1 319 . 5 1 1 A 35 35 GLY CA C 35 39.163 45.220 -6.057 1
1 320 . 5 1 1 A 35 35 GLY N N 35 107.160 107.620 -0.460 1
1 321 . 5 1 1 A 36 36 ARG H H 36 7.772 7.896 -0.124 1
1 322 . 5 1 1 A 36 36 ARG HA H 36 4.700 5.160 -0.460 1
1 329 . 5 1 1 A 36 36 ARG CA C 36 52.697 54.323 -1.626 1
1 330 . 5 1 1 A 36 36 ARG CB C 36 27.998 32.962 -4.964 1
1 333 . 5 1 1 A 36 36 ARG N N 36 119.227 119.919 -0.692 1
1 334 . 5 1 1 A 37 37 LYS H H 37 9.057 8.738 0.319 1
1 335 . 5 1 1 A 37 37 LYS HA H 37 4.220 4.924 -0.704 1
1 342 . 5 1 1 A 37 37 LYS CA C 37 58.398 56.569 1.829 1
1 343 . 5 1 1 A 37 37 LYS CB C 37 33.797 32.860 0.937 1
1 346 . 5 1 1 A 37 37 LYS N N 37 119.506 122.192 -2.686 1
1 347 . 5 1 1 A 38 38 ARG H H 38 8.278 7.559 0.719 1
1 348 . 5 1 1 A 38 38 ARG HA H 38 4.721 5.342 -0.621 1
1 354 . 5 1 1 A 38 38 ARG CA C 38 54.582 54.795 -0.213 1
1 355 . 5 1 1 A 38 38 ARG CB C 38 32.642 33.726 -1.084 1
1 358 . 5 1 1 A 38 38 ARG N N 38 113.248 121.475 -8.227 1
1 359 . 5 1 1 A 39 39 GLY H H 39 9.055 8.884 0.171 1
1 360 . 5 1 1 A 39 39 GLY HA2 H 39 3.895 4.696 -0.801 1
1 361 . 5 1 1 A 39 39 GLY HA3 H 39 5.551 4.696 0.855 1
1 362 . 5 1 1 A 39 39 GLY CA C 39 46.770 44.719 2.051 1
1 363 . 5 1 1 A 39 39 GLY N N 39 107.276 111.787 -4.511 1
1 364 . 5 1 1 A 40 40 GLN H H 40 9.453 9.455 -0.002 1
1 365 . 5 1 1 A 40 40 GLN HA H 40 4.717 4.911 -0.194 1
1 370 . 5 1 1 A 40 40 GLN CA C 40 54.463 55.431 -0.968 1
1 371 . 5 1 1 A 40 40 GLN CB C 40 32.364 29.041 3.323 1
1 373 . 5 1 1 A 40 40 GLN N N 40 120.430 124.110 -3.680 1
1 374 . 5 1 1 A 41 41 CYS H H 41 9.208 8.841 0.367 1
1 375 . 5 1 1 A 41 41 CYS HA H 41 5.935 5.239 0.696 1
1 378 . 5 1 1 A 41 41 CYS CA C 41 59.537 55.593 3.944 1
1 379 . 5 1 1 A 41 41 CYS CB C 41 48.386 42.621 5.765 1
1 380 . 5 1 1 A 41 41 CYS N N 41 122.768 124.788 -2.020 1
1 381 . 5 1 1 A 42 42 GLU H H 42 9.529 8.350 1.179 1
1 382 . 5 1 1 A 42 42 GLU HA H 42 5.066 5.089 -0.023 1
1 386 . 5 1 1 A 42 42 GLU CA C 42 54.869 54.476 0.393 1
1 387 . 5 1 1 A 42 42 GLU CB C 42 35.149 31.114 4.035 1
1 389 . 5 1 1 A 42 42 GLU N N 42 122.626 125.706 -3.080 1
1 390 . 5 1 1 A 43 43 GLU H H 43 8.450 8.483 -0.033 1
1 391 . 5 1 1 A 43 43 GLU HA H 43 3.973 4.397 -0.424 1
1 396 . 5 1 1 A 43 43 GLU CA C 43 55.920 58.605 -2.685 1
1 397 . 5 1 1 A 43 43 GLU CB C 43 29.068 29.506 -0.438 1
1 399 . 5 1 1 A 43 43 GLU N N 43 122.712 118.528 4.184 1
1 400 . 5 1 1 A 44 44 LYS H H 44 8.051 7.731 0.320 1
1 401 . 5 1 1 A 44 44 LYS HA H 44 4.858 4.349 0.509 1
1 408 . 5 1 1 A 44 44 LYS CA C 44 51.858 56.642 -4.784 1
1 409 . 5 1 1 A 44 44 LYS CB C 44 33.736 30.319 3.417 1
1 413 . 5 1 1 A 44 44 LYS N N 44 124.525 116.262 8.263 1
1 414 . 5 1 1 A 45 45 PRO HA H 45 4.371 4.624 -0.253 1
1 421 . 5 1 1 A 45 45 PRO CA C 45 64.556 65.004 -0.448 1
1 422 . 5 1 1 A 45 45 PRO CB C 45 31.781 31.890 -0.109 1
1 425 . 5 1 1 A 46 46 SER H H 46 8.132 8.192 -0.060 1
1 426 . 5 1 1 A 46 46 SER HA H 46 4.119 4.569 -0.450 1
1 429 . 5 1 1 A 46 46 SER CA C 46 60.190 60.805 -0.615 1
1 430 . 5 1 1 A 46 46 SER CB C 46 62.093 62.309 -0.216 1
1 431 . 5 1 1 A 46 46 SER N N 46 109.975 111.503 -1.528 1
1 432 . 5 1 1 A 47 47 ARG H H 47 7.381 7.339 0.042 1
1 433 . 5 1 1 A 47 47 ARG HA H 47 4.448 4.779 -0.331 1
1 438 . 5 1 1 A 47 47 ARG CA C 47 56.257 55.502 0.755 1
1 439 . 5 1 1 A 47 47 ARG CB C 47 32.699 30.512 2.187 1
1 442 . 5 1 1 A 47 47 ARG N N 47 120.043 118.479 1.564 1
1 443 . 5 1 1 A 48 48 CYS H H 48 7.864 7.404 0.460 1
1 444 . 5 1 1 A 48 48 CYS HA H 48 5.145 5.314 -0.169 1
1 447 . 5 1 1 A 48 48 CYS CA C 48 52.322 53.058 -0.736 1
1 448 . 5 1 1 A 48 48 CYS CB C 48 41.255 45.352 -4.097 1
1 449 . 5 1 1 A 48 48 CYS N N 48 118.806 120.601 -1.795 1
1 450 . 5 1 1 A 49 49 PRO HA H 49 4.475 5.005 -0.530 1
1 457 . 5 1 1 A 49 49 PRO CA C 49 64.149 63.678 0.471 1
1 458 . 5 1 1 A 49 49 PRO CB C 49 32.684 31.829 0.855 1
1 461 . 5 1 1 A 50 50 LEU H H 50 8.839 7.489 1.350 1
1 462 . 5 1 1 A 50 50 LEU HA H 50 4.436 4.996 -0.560 1
1 472 . 5 1 1 A 50 50 LEU CA C 50 54.154 53.575 0.579 1
1 473 . 5 1 1 A 50 50 LEU CB C 50 41.344 43.829 -2.485 1
1 477 . 5 1 1 A 50 50 LEU N N 50 122.400 120.518 1.882 1
1 478 . 5 1 1 A 51 51 SER H H 51 8.563 8.485 0.078 1
1 479 . 5 1 1 A 51 51 SER HA H 51 4.042 4.775 -0.733 1
1 481 . 5 1 1 A 51 51 SER CA C 51 60.771 59.243 1.528 1
1 482 . 5 1 1 A 51 51 SER CB C 51 62.818 64.154 -1.336 1
1 483 . 5 1 1 A 51 51 SER N N 51 120.571 115.730 4.841 1
1 484 . 5 1 1 A 52 52 LYS H H 52 8.067 7.980 0.087 1
1 485 . 5 1 1 A 52 52 LYS HA H 52 4.324 4.499 -0.175 1
1 491 . 5 1 1 A 52 52 LYS CA C 52 56.796 58.736 -1.940 1
1 492 . 5 1 1 A 52 52 LYS CB C 52 31.870 32.153 -0.283 1
1 496 . 5 1 1 A 52 52 LYS N N 52 117.675 121.582 -3.907 1
1 497 . 5 1 1 A 53 53 LYS H H 53 7.619 7.496 0.123 1
1 498 . 5 1 1 A 53 53 LYS HA H 53 4.426 4.805 -0.379 1
1 504 . 5 1 1 A 53 53 LYS CA C 53 55.204 55.942 -0.738 1
1 505 . 5 1 1 A 53 53 LYS CB C 53 33.881 32.971 0.910 1
1 509 . 5 1 1 A 53 53 LYS N N 53 122.168 116.709 5.459 1
1 510 . 5 1 1 A 54 54 ALA H H 54 8.485 7.374 1.111 1
1 511 . 5 1 1 A 54 54 ALA HA H 54 4.410 4.469 -0.059 1
1 515 . 5 1 1 A 54 54 ALA CA C 54 53.135 53.134 0.001 1
1 516 . 5 1 1 A 54 54 ALA CB C 54 21.208 18.668 2.540 1
1 517 . 5 1 1 A 54 54 ALA N N 54 122.332 123.399 -1.067 1
1 518 . 5 1 1 A 55 55 TRP H H 55 8.517 8.171 0.346 1
1 519 . 5 1 1 A 55 55 TRP HA H 55 4.676 5.413 -0.737 1
1 523 . 5 1 1 A 55 55 TRP CA C 55 57.259 57.416 -0.157 1
1 524 . 5 1 1 A 55 55 TRP CB C 55 30.373 33.137 -2.764 1
1 525 . 5 1 1 A 55 55 TRP N N 55 117.762 123.264 -5.502 1
1 527 . 5 1 1 A 56 56 THR H H 56 9.389 9.207 0.182 1
1 528 . 5 1 1 A 56 56 THR HA H 56 5.201 5.070 0.131 1
1 533 . 5 1 1 A 56 56 THR CA C 56 60.940 60.378 0.562 1
1 534 . 5 1 1 A 56 56 THR CB C 56 70.961 70.630 0.331 1
1 536 . 5 1 1 A 56 56 THR N N 56 117.434 118.807 -1.373 1
1 537 . 5 1 1 A 57 57 CYS H H 57 8.665 8.917 -0.252 1
1 538 . 5 1 1 A 57 57 CYS HA H 57 4.827 5.630 -0.803 1
1 541 . 5 1 1 A 57 57 CYS CA C 57 56.272 54.777 1.495 1
1 542 . 5 1 1 A 57 57 CYS CB C 57 37.251 44.428 -7.177 1
1 543 . 5 1 1 A 57 57 CYS N N 57 126.085 123.274 2.811 1
1 544 . 5 1 1 A 58 58 ILE H H 58 9.150 9.218 -0.068 1
1 545 . 5 1 1 A 58 58 ILE HA H 58 4.297 4.551 -0.254 1
1 555 . 5 1 1 A 58 58 ILE CA C 58 58.322 61.360 -3.038 1
1 556 . 5 1 1 A 58 58 ILE CB C 58 37.652 37.729 -0.077 1
1 560 . 5 1 1 A 58 58 ILE N N 58 134.435 125.044 9.391 1
1 561 . 5 1 1 A 59 59 CYS H H 59 8.204 8.369 -0.165 1
1 562 . 5 1 1 A 59 59 CYS HA H 59 5.698 4.981 0.717 1
1 565 . 5 1 1 A 59 59 CYS CA C 59 51.508 56.794 -5.286 1
1 566 . 5 1 1 A 59 59 CYS CB C 59 36.523 41.995 -5.472 1
1 567 . 5 1 1 A 59 59 CYS N N 59 121.180 125.365 -4.185 1
1 8 . 6 1 1 A 2 2 ILE H H 2 8.299 7.576 0.723 1
1 9 . 6 1 1 A 2 2 ILE HA H 2 4.139 4.375 -0.236 1
1 19 . 6 1 1 A 2 2 ILE CA C 2 61.463 60.234 1.229 1
1 20 . 6 1 1 A 2 2 ILE CB C 2 38.545 39.355 -0.810 1
1 24 . 6 1 1 A 2 2 ILE N N 2 121.433 115.159 6.274 1
1 25 . 6 1 1 A 3 3 VAL H H 3 8.245 8.520 -0.275 1
1 26 . 6 1 1 A 3 3 VAL HA H 3 4.138 4.018 0.120 1
1 34 . 6 1 1 A 3 3 VAL CA C 3 61.813 62.767 -0.954 1
1 35 . 6 1 1 A 3 3 VAL CB C 3 32.887 30.816 2.071 1
1 38 . 6 1 1 A 3 3 VAL N N 3 123.973 119.290 4.683 1
1 39 . 6 1 1 A 4 4 ASP H H 4 8.320 8.221 0.099 1
1 40 . 6 1 1 A 4 4 ASP HA H 4 4.499 5.089 -0.590 1
1 43 . 6 1 1 A 4 4 ASP CA C 4 53.912 54.629 -0.717 1
1 44 . 6 1 1 A 4 4 ASP CB C 4 41.523 42.862 -1.339 1
1 45 . 6 1 1 A 4 4 ASP N N 4 123.308 125.829 -2.521 1
1 46 . 6 1 1 A 5 5 CYS H H 5 7.560 8.747 -1.187 1
1 47 . 6 1 1 A 5 5 CYS HA H 5 5.355 5.235 0.120 1
1 50 . 6 1 1 A 5 5 CYS CA C 5 54.544 56.332 -1.788 1
1 51 . 6 1 1 A 5 5 CYS CB C 5 44.815 44.651 0.164 1
1 52 . 6 1 1 A 5 5 CYS N N 5 121.272 122.756 -1.484 1
1 53 . 6 1 1 A 6 6 TRP H H 6 9.768 8.612 1.156 1
1 54 . 6 1 1 A 6 6 TRP HA H 6 4.727 4.921 -0.194 1
1 58 . 6 1 1 A 6 6 TRP CB C 6 34.880 30.654 4.226 1
1 59 . 6 1 1 A 6 6 TRP N N 6 120.939 127.918 -6.979 1
1 61 . 6 1 1 A 7 7 GLU H H 7 10.518 8.550 1.968 1
1 62 . 6 1 1 A 7 7 GLU HA H 7 4.872 4.807 0.065 1
1 66 . 6 1 1 A 7 7 GLU CA C 7 59.493 55.251 4.242 1
1 67 . 6 1 1 A 7 7 GLU CB C 7 31.264 31.184 0.080 1
1 69 . 6 1 1 A 7 7 GLU N N 7 119.048 122.103 -3.055 1
1 70 . 6 1 1 A 8 8 THR H H 8 7.112 8.010 -0.898 1
1 71 . 6 1 1 A 8 8 THR HA H 8 4.509 4.685 -0.176 1
1 76 . 6 1 1 A 8 8 THR CA C 8 57.991 61.378 -3.387 1
1 77 . 6 1 1 A 8 8 THR CB C 8 73.377 71.163 2.214 1
1 79 . 6 1 1 A 8 8 THR N N 8 103.295 116.470 -13.175 1
1 80 . 6 1 1 A 9 9 TRP H H 9 7.902 7.550 0.352 1
1 81 . 6 1 1 A 9 9 TRP HA H 9 2.806 4.833 -2.027 1
1 85 . 6 1 1 A 9 9 TRP CA C 9 62.403 56.414 5.989 1
1 86 . 6 1 1 A 9 9 TRP CB C 9 26.876 28.458 -1.582 1
1 87 . 6 1 1 A 9 9 TRP N N 9 121.679 124.251 -2.572 1
1 89 . 6 1 1 A 10 10 SER H H 10 8.585 7.948 0.637 1
1 90 . 6 1 1 A 10 10 SER HA H 10 3.354 4.249 -0.895 1
1 93 . 6 1 1 A 10 10 SER CA C 10 61.924 60.373 1.551 1
1 94 . 6 1 1 A 10 10 SER CB C 10 62.121 61.250 0.871 1
1 95 . 6 1 1 A 10 10 SER N N 10 114.940 110.477 4.463 1
1 96 . 6 1 1 A 11 11 ARG H H 11 7.619 8.019 -0.400 1
1 97 . 6 1 1 A 11 11 ARG HA H 11 3.797 4.224 -0.427 1
1 103 . 6 1 1 A 11 11 ARG CA C 11 58.216 59.320 -1.104 1
1 104 . 6 1 1 A 11 11 ARG CB C 11 30.189 28.999 1.190 1
1 107 . 6 1 1 A 11 11 ARG N N 11 120.414 120.137 0.277 1
1 108 . 6 1 1 A 12 12 CYS H H 12 6.939 8.012 -1.073 1
1 109 . 6 1 1 A 12 12 CYS HA H 12 2.633 4.395 -1.762 1
1 112 . 6 1 1 A 12 12 CYS CA C 12 58.084 59.416 -1.332 1
1 113 . 6 1 1 A 12 12 CYS CB C 12 41.245 42.474 -1.229 1
1 114 . 6 1 1 A 12 12 CYS N N 12 114.990 117.825 -2.835 1
1 115 . 6 1 1 A 13 13 THR H H 13 7.600 7.686 -0.086 1
1 116 . 6 1 1 A 13 13 THR HA H 13 3.346 4.115 -0.769 1
1 121 . 6 1 1 A 13 13 THR CA C 13 66.553 65.512 1.041 1
1 122 . 6 1 1 A 13 13 THR CB C 13 68.908 68.304 0.604 1
1 124 . 6 1 1 A 13 13 THR N N 13 115.078 115.220 -0.142 1
1 125 . 6 1 1 A 14 14 LYS H H 14 7.138 7.047 0.091 1
1 126 . 6 1 1 A 14 14 LYS HA H 14 4.141 4.414 -0.273 1
1 132 . 6 1 1 A 14 14 LYS CA C 14 56.515 56.910 -0.395 1
1 133 . 6 1 1 A 14 14 LYS CB C 14 33.392 33.099 0.293 1
1 137 . 6 1 1 A 14 14 LYS N N 14 119.549 117.697 1.852 1
1 138 . 6 1 1 A 15 15 TRP H H 15 7.747 8.008 -0.261 1
1 139 . 6 1 1 A 15 15 TRP HA H 15 4.360 5.184 -0.824 1
1 143 . 6 1 1 A 15 15 TRP CA C 15 57.057 55.254 1.803 1
1 144 . 6 1 1 A 15 15 TRP CB C 15 29.949 32.072 -2.123 1
1 145 . 6 1 1 A 15 15 TRP N N 15 122.233 117.774 4.459 1
1 147 . 6 1 1 A 16 16 SER H H 16 7.845 8.742 -0.897 1
1 148 . 6 1 1 A 16 16 SER HA H 16 4.236 4.648 -0.412 1
1 151 . 6 1 1 A 16 16 SER CA C 16 57.866 58.956 -1.090 1
1 152 . 6 1 1 A 16 16 SER CB C 16 64.242 63.783 0.459 1
1 153 . 6 1 1 A 16 16 SER N N 16 116.282 119.555 -3.273 1
1 154 . 6 1 1 A 17 17 GLN H H 17 8.150 7.794 0.356 1
1 155 . 6 1 1 A 17 17 GLN HA H 17 4.238 4.559 -0.321 1
1 159 . 6 1 1 A 17 17 GLN CA C 17 55.929 54.760 1.169 1
1 160 . 6 1 1 A 17 17 GLN CB C 17 29.663 30.226 -0.563 1
1 162 . 6 1 1 A 17 17 GLN N N 17 122.525 116.903 5.622 1
1 163 . 6 1 1 A 18 18 GLY H H 18 8.313 8.557 -0.244 1
1 164 . 6 1 1 A 18 18 GLY HA2 H 18 3.928 3.889 0.039 1
1 165 . 6 1 1 A 18 18 GLY N N 18 110.285 106.943 3.342 1
1 166 . 6 1 1 A 19 19 GLY H H 19 8.241 8.407 -0.166 1
1 167 . 6 1 1 A 19 19 GLY HA2 H 19 3.939 3.974 -0.035 1
1 168 . 6 1 1 A 19 19 GLY N N 19 108.776 115.099 -6.323 1
1 169 . 6 1 1 A 20 20 THR H H 20 8.166 8.324 -0.158 1
1 170 . 6 1 1 A 20 20 THR HA H 20 4.318 5.265 -0.947 1
1 175 . 6 1 1 A 20 20 THR CA C 20 61.985 60.472 1.513 1
1 176 . 6 1 1 A 20 20 THR CB C 20 69.591 73.133 -3.542 1
1 178 . 6 1 1 A 20 20 THR N N 20 113.035 117.054 -4.019 1
1 179 . 6 1 1 A 21 21 GLY H H 21 8.423 8.304 0.119 1
1 180 . 6 1 1 A 21 21 GLY HA2 H 21 3.836 4.326 -0.490 1
1 181 . 6 1 1 A 21 21 GLY HA3 H 21 4.047 4.326 -0.279 1
1 182 . 6 1 1 A 21 21 GLY CA C 21 45.397 46.371 -0.974 1
1 183 . 6 1 1 A 21 21 GLY N N 21 111.299 109.916 1.383 1
1 184 . 6 1 1 A 22 22 THR H H 22 7.915 8.186 -0.271 1
1 185 . 6 1 1 A 22 22 THR HA H 22 4.279 4.516 -0.237 1
1 190 . 6 1 1 A 22 22 THR CA C 22 61.845 63.933 -2.088 1
1 191 . 6 1 1 A 22 22 THR CB C 22 69.755 70.260 -0.505 1
1 193 . 6 1 1 A 22 22 THR N N 22 113.293 118.246 -4.953 1
1 194 . 6 1 1 A 23 23 LEU H H 23 8.132 7.890 0.242 1
1 195 . 6 1 1 A 23 23 LEU HA H 23 4.282 4.025 0.257 1
1 205 . 6 1 1 A 23 23 LEU CA C 23 55.052 57.788 -2.736 1
1 206 . 6 1 1 A 23 23 LEU CB C 23 42.511 41.896 0.615 1
1 210 . 6 1 1 A 23 23 LEU N N 23 124.055 118.689 5.366 1
1 211 . 6 1 1 A 24 24 TRP H H 24 8.011 8.097 -0.086 1
1 212 . 6 1 1 A 24 24 TRP HA H 24 4.694 4.410 0.284 1
1 216 . 6 1 1 A 24 24 TRP CA C 24 56.611 58.173 -1.562 1
1 217 . 6 1 1 A 24 24 TRP CB C 24 30.203 27.937 2.266 1
1 218 . 6 1 1 A 24 24 TRP N N 24 122.196 119.682 2.514 1
1 220 . 6 1 1 A 25 25 LYS H H 25 8.384 7.858 0.526 1
1 221 . 6 1 1 A 25 25 LYS HA H 25 4.415 4.926 -0.511 1
1 228 . 6 1 1 A 25 25 LYS CB C 25 34.608 35.512 -0.904 1
1 232 . 6 1 1 A 25 25 LYS N N 25 122.979 117.818 5.161 1
1 233 . 6 1 1 A 26 26 SER H H 26 8.703 8.361 0.342 1
1 234 . 6 1 1 A 26 26 SER HA H 26 4.689 4.585 0.104 1
1 237 . 6 1 1 A 26 26 SER CA C 26 60.110 57.816 2.294 1
1 238 . 6 1 1 A 26 26 SER CB C 26 64.419 63.827 0.592 1
1 239 . 6 1 1 A 26 26 SER N N 26 117.775 114.497 3.278 1
1 240 . 6 1 1 A 27 27 CYS H H 27 8.216 8.935 -0.719 1
1 241 . 6 1 1 A 27 27 CYS HA H 27 4.382 4.296 0.086 1
1 244 . 6 1 1 A 27 27 CYS CA C 27 58.151 58.574 -0.423 1
1 245 . 6 1 1 A 27 27 CYS CB C 27 36.051 42.059 -6.008 1
1 246 . 6 1 1 A 27 27 CYS N N 27 119.629 121.048 -1.419 1
1 247 . 6 1 1 A 28 28 ASN H H 28 8.640 8.227 0.413 1
1 248 . 6 1 1 A 28 28 ASN HA H 28 4.039 4.534 -0.495 1
1 251 . 6 1 1 A 28 28 ASN CA C 28 57.688 56.739 0.949 1
1 252 . 6 1 1 A 28 28 ASN CB C 28 39.578 39.148 0.430 1
1 253 . 6 1 1 A 28 28 ASN N N 28 117.431 120.297 -2.866 1
1 254 . 6 1 1 A 29 29 ASP H H 29 7.910 8.288 -0.378 1
1 255 . 6 1 1 A 29 29 ASP HA H 29 4.290 4.408 -0.118 1
1 258 . 6 1 1 A 29 29 ASP CA C 29 57.649 56.796 0.853 1
1 259 . 6 1 1 A 29 29 ASP CB C 29 40.511 39.694 0.817 1
1 260 . 6 1 1 A 29 29 ASP N N 29 117.680 117.823 -0.143 1
1 261 . 6 1 1 A 30 30 ARG H H 30 8.559 8.368 0.191 1
1 262 . 6 1 1 A 30 30 ARG HA H 30 3.792 4.092 -0.300 1
1 267 . 6 1 1 A 30 30 ARG CA C 30 59.243 58.615 0.628 1
1 268 . 6 1 1 A 30 30 ARG CB C 30 29.806 29.524 0.282 1
1 271 . 6 1 1 A 30 30 ARG N N 30 121.907 117.779 4.128 1
1 272 . 6 1 1 A 31 31 CYS H H 31 8.066 7.889 0.177 1
1 273 . 6 1 1 A 31 31 CYS HA H 31 4.285 4.582 -0.297 1
1 276 . 6 1 1 A 31 31 CYS CA C 31 58.396 59.656 -1.260 1
1 277 . 6 1 1 A 31 31 CYS CB C 31 36.213 41.919 -5.706 1
1 278 . 6 1 1 A 31 31 CYS N N 31 117.122 116.944 0.178 1
1 279 . 6 1 1 A 32 32 LYS H H 32 8.096 7.429 0.667 1
1 280 . 6 1 1 A 32 32 LYS HA H 32 4.402 4.071 0.331 1
1 286 . 6 1 1 A 32 32 LYS CA C 32 59.508 59.497 0.011 1
1 287 . 6 1 1 A 32 32 LYS CB C 32 31.698 32.041 -0.343 1
1 289 . 6 1 1 A 32 32 LYS N N 32 121.727 120.515 1.212 1
1 290 . 6 1 1 A 33 33 GLU H H 33 8.131 7.697 0.434 1
1 291 . 6 1 1 A 33 33 GLU HA H 33 4.090 4.157 -0.067 1
1 295 . 6 1 1 A 33 33 GLU CA C 33 59.018 58.958 0.060 1
1 296 . 6 1 1 A 33 33 GLU CB C 33 29.103 29.248 -0.145 1
1 298 . 6 1 1 A 33 33 GLU N N 33 121.845 119.632 2.213 1
1 299 . 6 1 1 A 34 34 LEU H H 34 7.318 7.388 -0.070 1
1 300 . 6 1 1 A 34 34 LEU HA H 34 4.385 4.440 -0.055 1
1 310 . 6 1 1 A 34 34 LEU CA C 34 54.830 54.868 -0.038 1
1 311 . 6 1 1 A 34 34 LEU CB C 34 42.243 42.216 0.027 1
1 315 . 6 1 1 A 34 34 LEU N N 34 117.966 118.234 -0.268 1
1 316 . 6 1 1 A 35 35 GLY H H 35 7.931 8.021 -0.090 1
1 317 . 6 1 1 A 35 35 GLY HA2 H 35 3.793 4.029 -0.236 1
1 318 . 6 1 1 A 35 35 GLY HA3 H 35 4.251 4.029 0.222 1
1 319 . 6 1 1 A 35 35 GLY CA C 35 39.163 46.375 -7.212 1
1 320 . 6 1 1 A 35 35 GLY N N 35 107.160 107.871 -0.711 1
1 321 . 6 1 1 A 36 36 ARG H H 36 7.772 7.448 0.324 1
1 322 . 6 1 1 A 36 36 ARG HA H 36 4.700 4.744 -0.044 1
1 329 . 6 1 1 A 36 36 ARG CA C 36 52.697 54.514 -1.817 1
1 330 . 6 1 1 A 36 36 ARG CB C 36 27.998 32.395 -4.397 1
1 333 . 6 1 1 A 36 36 ARG N N 36 119.227 119.209 0.018 1
1 334 . 6 1 1 A 37 37 LYS H H 37 9.057 8.839 0.218 1
1 335 . 6 1 1 A 37 37 LYS HA H 37 4.220 4.268 -0.048 1
1 342 . 6 1 1 A 37 37 LYS CA C 37 58.398 58.234 0.164 1
1 343 . 6 1 1 A 37 37 LYS CB C 37 33.797 33.354 0.443 1
1 346 . 6 1 1 A 37 37 LYS N N 37 119.506 123.469 -3.963 1
1 347 . 6 1 1 A 38 38 ARG H H 38 8.278 7.806 0.472 1
1 348 . 6 1 1 A 38 38 ARG HA H 38 4.721 4.833 -0.112 1
1 354 . 6 1 1 A 38 38 ARG CA C 38 54.582 54.484 0.098 1
1 355 . 6 1 1 A 38 38 ARG CB C 38 32.642 33.723 -1.081 1
1 358 . 6 1 1 A 38 38 ARG N N 38 113.248 114.792 -1.544 1
1 359 . 6 1 1 A 39 39 GLY H H 39 9.055 8.446 0.609 1
1 360 . 6 1 1 A 39 39 GLY HA2 H 39 3.895 4.451 -0.556 1
1 361 . 6 1 1 A 39 39 GLY HA3 H 39 5.551 4.451 1.100 1
1 362 . 6 1 1 A 39 39 GLY CA C 39 46.770 44.696 2.074 1
1 363 . 6 1 1 A 39 39 GLY N N 39 107.276 106.533 0.743 1
1 364 . 6 1 1 A 40 40 GLN H H 40 9.453 9.299 0.154 1
1 365 . 6 1 1 A 40 40 GLN HA H 40 4.717 5.018 -0.301 1
1 370 . 6 1 1 A 40 40 GLN CA C 40 54.463 53.971 0.492 1
1 371 . 6 1 1 A 40 40 GLN CB C 40 32.364 31.906 0.458 1
1 373 . 6 1 1 A 40 40 GLN N N 40 120.430 119.686 0.744 1
1 374 . 6 1 1 A 41 41 CYS H H 41 9.208 8.752 0.456 1
1 375 . 6 1 1 A 41 41 CYS HA H 41 5.935 4.865 1.070 1
1 378 . 6 1 1 A 41 41 CYS CA C 41 59.537 55.247 4.290 1
1 379 . 6 1 1 A 41 41 CYS CB C 41 48.386 42.136 6.250 1
1 380 . 6 1 1 A 41 41 CYS N N 41 122.768 121.304 1.464 1
1 381 . 6 1 1 A 42 42 GLU H H 42 9.529 9.328 0.201 1
1 382 . 6 1 1 A 42 42 GLU HA H 42 5.066 4.856 0.210 1
1 386 . 6 1 1 A 42 42 GLU CA C 42 54.869 54.974 -0.105 1
1 387 . 6 1 1 A 42 42 GLU CB C 42 35.149 31.892 3.257 1
1 389 . 6 1 1 A 42 42 GLU N N 42 122.626 125.776 -3.150 1
1 390 . 6 1 1 A 43 43 GLU H H 43 8.450 8.630 -0.180 1
1 391 . 6 1 1 A 43 43 GLU HA H 43 3.973 4.442 -0.469 1
1 396 . 6 1 1 A 43 43 GLU CA C 43 55.920 56.073 -0.153 1
1 397 . 6 1 1 A 43 43 GLU CB C 43 29.068 27.916 1.152 1
1 399 . 6 1 1 A 43 43 GLU N N 43 122.712 122.329 0.383 1
1 400 . 6 1 1 A 44 44 LYS H H 44 8.051 7.752 0.299 1
1 401 . 6 1 1 A 44 44 LYS HA H 44 4.858 4.889 -0.031 1
1 408 . 6 1 1 A 44 44 LYS CA C 44 51.858 53.002 -1.144 1
1 409 . 6 1 1 A 44 44 LYS CB C 44 33.736 33.575 0.161 1
1 413 . 6 1 1 A 44 44 LYS N N 44 124.525 123.584 0.941 1
1 414 . 6 1 1 A 45 45 PRO HA H 45 4.371 4.630 -0.259 1
1 421 . 6 1 1 A 45 45 PRO CA C 45 64.556 62.783 1.773 1
1 422 . 6 1 1 A 45 45 PRO CB C 45 31.781 29.668 2.113 1
1 425 . 6 1 1 A 46 46 SER H H 46 8.132 8.499 -0.367 1
1 426 . 6 1 1 A 46 46 SER HA H 46 4.119 4.456 -0.337 1
1 429 . 6 1 1 A 46 46 SER CA C 46 60.190 60.739 -0.549 1
1 430 . 6 1 1 A 46 46 SER CB C 46 62.093 63.712 -1.619 1
1 431 . 6 1 1 A 46 46 SER N N 46 109.975 114.579 -4.604 1
1 432 . 6 1 1 A 47 47 ARG H H 47 7.381 7.923 -0.542 1
1 433 . 6 1 1 A 47 47 ARG HA H 47 4.448 4.459 -0.011 1
1 438 . 6 1 1 A 47 47 ARG CA C 47 56.257 55.924 0.333 1
1 439 . 6 1 1 A 47 47 ARG CB C 47 32.699 30.528 2.171 1
1 442 . 6 1 1 A 47 47 ARG N N 47 120.043 117.166 2.877 1
1 443 . 6 1 1 A 48 48 CYS H H 48 7.864 7.559 0.305 1
1 444 . 6 1 1 A 48 48 CYS HA H 48 5.145 4.931 0.214 1
1 447 . 6 1 1 A 48 48 CYS CA C 48 52.322 53.012 -0.690 1
1 448 . 6 1 1 A 48 48 CYS CB C 48 41.255 43.788 -2.533 1
1 449 . 6 1 1 A 48 48 CYS N N 48 118.806 119.425 -0.619 1
1 450 . 6 1 1 A 49 49 PRO HA H 49 4.475 4.679 -0.204 1
1 457 . 6 1 1 A 49 49 PRO CA C 49 64.149 63.516 0.633 1
1 458 . 6 1 1 A 49 49 PRO CB C 49 32.684 31.723 0.961 1
1 461 . 6 1 1 A 50 50 LEU H H 50 8.839 8.100 0.739 1
1 462 . 6 1 1 A 50 50 LEU HA H 50 4.436 4.614 -0.178 1
1 472 . 6 1 1 A 50 50 LEU CA C 50 54.154 54.082 0.072 1
1 473 . 6 1 1 A 50 50 LEU CB C 50 41.344 40.840 0.504 1
1 477 . 6 1 1 A 50 50 LEU N N 50 122.400 120.898 1.502 1
1 478 . 6 1 1 A 51 51 SER H H 51 8.563 8.799 -0.236 1
1 479 . 6 1 1 A 51 51 SER HA H 51 4.042 4.273 -0.231 1
1 481 . 6 1 1 A 51 51 SER CA C 51 60.771 61.351 -0.580 1
1 482 . 6 1 1 A 51 51 SER CB C 51 62.818 63.143 -0.325 1
1 483 . 6 1 1 A 51 51 SER N N 51 120.571 121.117 -0.546 1
1 484 . 6 1 1 A 52 52 LYS H H 52 8.067 8.056 0.011 1
1 485 . 6 1 1 A 52 52 LYS HA H 52 4.324 4.153 0.171 1
1 491 . 6 1 1 A 52 52 LYS CA C 52 56.796 58.788 -1.992 1
1 492 . 6 1 1 A 52 52 LYS CB C 52 31.870 32.117 -0.247 1
1 496 . 6 1 1 A 52 52 LYS N N 52 117.675 121.658 -3.983 1
1 497 . 6 1 1 A 53 53 LYS H H 53 7.619 7.761 -0.142 1
1 498 . 6 1 1 A 53 53 LYS HA H 53 4.426 4.478 -0.052 1
1 504 . 6 1 1 A 53 53 LYS CA C 53 55.204 58.077 -2.873 1
1 505 . 6 1 1 A 53 53 LYS CB C 53 33.881 33.631 0.250 1
1 509 . 6 1 1 A 53 53 LYS N N 53 122.168 117.723 4.445 1
1 510 . 6 1 1 A 54 54 ALA H H 54 8.485 7.997 0.488 1
1 511 . 6 1 1 A 54 54 ALA HA H 54 4.410 3.985 0.425 1
1 515 . 6 1 1 A 54 54 ALA CA C 54 53.135 53.254 -0.119 1
1 516 . 6 1 1 A 54 54 ALA CB C 54 21.208 16.922 4.286 1
1 517 . 6 1 1 A 54 54 ALA N N 54 122.332 119.819 2.513 1
1 518 . 6 1 1 A 55 55 TRP H H 55 8.517 7.780 0.737 1
1 519 . 6 1 1 A 55 55 TRP HA H 55 4.676 5.140 -0.464 1
1 523 . 6 1 1 A 55 55 TRP CA C 55 57.259 56.099 1.160 1
1 524 . 6 1 1 A 55 55 TRP CB C 55 30.373 31.571 -1.198 1
1 525 . 6 1 1 A 55 55 TRP N N 55 117.762 119.526 -1.764 1
1 527 . 6 1 1 A 56 56 THR H H 56 9.389 9.483 -0.094 1
1 528 . 6 1 1 A 56 56 THR HA H 56 5.201 4.767 0.434 1
1 533 . 6 1 1 A 56 56 THR CA C 56 60.940 61.073 -0.133 1
1 534 . 6 1 1 A 56 56 THR CB C 56 70.961 72.116 -1.155 1
1 536 . 6 1 1 A 56 56 THR N N 56 117.434 115.888 1.546 1
1 537 . 6 1 1 A 57 57 CYS H H 57 8.665 9.881 -1.216 1
1 538 . 6 1 1 A 57 57 CYS HA H 57 4.827 4.713 0.114 1
1 541 . 6 1 1 A 57 57 CYS CA C 57 56.272 57.137 -0.865 1
1 542 . 6 1 1 A 57 57 CYS CB C 57 37.251 42.833 -5.582 1
1 543 . 6 1 1 A 57 57 CYS N N 57 126.085 124.814 1.271 1
1 544 . 6 1 1 A 58 58 ILE H H 58 9.150 9.603 -0.453 1
1 545 . 6 1 1 A 58 58 ILE HA H 58 4.297 4.506 -0.209 1
1 555 . 6 1 1 A 58 58 ILE CA C 58 58.322 60.830 -2.508 1
1 556 . 6 1 1 A 58 58 ILE CB C 58 37.652 39.123 -1.471 1
1 560 . 6 1 1 A 58 58 ILE N N 58 134.435 126.397 8.038 1
1 561 . 6 1 1 A 59 59 CYS H H 59 8.204 8.717 -0.513 1
1 562 . 6 1 1 A 59 59 CYS HA H 59 5.698 4.989 0.709 1
1 565 . 6 1 1 A 59 59 CYS CA C 59 51.508 55.593 -4.085 1
1 566 . 6 1 1 A 59 59 CYS CB C 59 36.523 42.784 -6.261 1
1 567 . 6 1 1 A 59 59 CYS N N 59 121.180 124.968 -3.788 1
1 8 . 7 1 1 A 2 2 ILE H H 2 8.299 8.397 -0.098 1
1 9 . 7 1 1 A 2 2 ILE HA H 2 4.139 4.404 -0.265 1
1 19 . 7 1 1 A 2 2 ILE CA C 2 61.463 60.197 1.266 1
1 20 . 7 1 1 A 2 2 ILE CB C 2 38.545 38.048 0.497 1
1 24 . 7 1 1 A 2 2 ILE N N 2 121.433 119.921 1.512 1
1 25 . 7 1 1 A 3 3 VAL H H 3 8.245 8.427 -0.182 1
1 26 . 7 1 1 A 3 3 VAL HA H 3 4.138 3.570 0.568 1
1 34 . 7 1 1 A 3 3 VAL CA C 3 61.813 63.116 -1.303 1
1 35 . 7 1 1 A 3 3 VAL CB C 3 32.887 29.360 3.527 1
1 38 . 7 1 1 A 3 3 VAL N N 3 123.973 119.669 4.304 1
1 39 . 7 1 1 A 4 4 ASP H H 4 8.320 7.100 1.220 1
1 40 . 7 1 1 A 4 4 ASP HA H 4 4.499 4.954 -0.455 1
1 43 . 7 1 1 A 4 4 ASP CA C 4 53.912 53.084 0.828 1
1 44 . 7 1 1 A 4 4 ASP CB C 4 41.523 42.095 -0.572 1
1 45 . 7 1 1 A 4 4 ASP N N 4 123.308 119.294 4.014 1
1 46 . 7 1 1 A 5 5 CYS H H 5 7.560 8.978 -1.418 1
1 47 . 7 1 1 A 5 5 CYS HA H 5 5.355 5.466 -0.111 1
1 50 . 7 1 1 A 5 5 CYS CA C 5 54.544 54.535 0.009 1
1 51 . 7 1 1 A 5 5 CYS CB C 5 44.815 45.512 -0.697 1
1 52 . 7 1 1 A 5 5 CYS N N 5 121.272 121.833 -0.561 1
1 53 . 7 1 1 A 6 6 TRP H H 6 9.768 8.773 0.995 1
1 54 . 7 1 1 A 6 6 TRP HA H 6 4.727 4.806 -0.079 1
1 58 . 7 1 1 A 6 6 TRP CB C 6 34.880 33.132 1.748 1
1 59 . 7 1 1 A 6 6 TRP N N 6 120.939 123.701 -2.762 1
1 61 . 7 1 1 A 7 7 GLU H H 7 10.518 8.855 1.663 1
1 62 . 7 1 1 A 7 7 GLU HA H 7 4.872 4.101 0.771 1
1 66 . 7 1 1 A 7 7 GLU CA C 7 59.493 59.906 -0.413 1
1 67 . 7 1 1 A 7 7 GLU CB C 7 31.264 29.499 1.765 1
1 69 . 7 1 1 A 7 7 GLU N N 7 119.048 123.838 -4.790 1
1 70 . 7 1 1 A 8 8 THR H H 8 7.112 8.055 -0.943 1
1 71 . 7 1 1 A 8 8 THR HA H 8 4.509 4.318 0.191 1
1 76 . 7 1 1 A 8 8 THR CA C 8 57.991 63.874 -5.883 1
1 77 . 7 1 1 A 8 8 THR CB C 8 73.377 68.757 4.620 1
1 79 . 7 1 1 A 8 8 THR N N 8 103.295 113.691 -10.396 1
1 80 . 7 1 1 A 9 9 TRP H H 9 7.902 9.091 -1.189 1
1 81 . 7 1 1 A 9 9 TRP HA H 9 2.806 4.274 -1.468 1
1 85 . 7 1 1 A 9 9 TRP CA C 9 62.403 61.766 0.637 1
1 86 . 7 1 1 A 9 9 TRP CB C 9 26.876 30.542 -3.666 1
1 87 . 7 1 1 A 9 9 TRP N N 9 121.679 129.184 -7.505 1
1 89 . 7 1 1 A 10 10 SER H H 10 8.585 8.422 0.163 1
1 90 . 7 1 1 A 10 10 SER HA H 10 3.354 4.181 -0.827 1
1 93 . 7 1 1 A 10 10 SER CA C 10 61.924 61.986 -0.062 1
1 94 . 7 1 1 A 10 10 SER CB C 10 62.121 62.880 -0.759 1
1 95 . 7 1 1 A 10 10 SER N N 10 114.940 115.466 -0.526 1
1 96 . 7 1 1 A 11 11 ARG H H 11 7.619 7.907 -0.288 1
1 97 . 7 1 1 A 11 11 ARG HA H 11 3.797 4.101 -0.304 1
1 103 . 7 1 1 A 11 11 ARG CA C 11 58.216 59.478 -1.262 1
1 104 . 7 1 1 A 11 11 ARG CB C 11 30.189 29.265 0.924 1
1 107 . 7 1 1 A 11 11 ARG N N 11 120.414 120.614 -0.200 1
1 108 . 7 1 1 A 12 12 CYS H H 12 6.939 8.588 -1.649 1
1 109 . 7 1 1 A 12 12 CYS HA H 12 2.633 4.329 -1.696 1
1 112 . 7 1 1 A 12 12 CYS CA C 12 58.084 59.476 -1.392 1
1 113 . 7 1 1 A 12 12 CYS CB C 12 41.245 42.344 -1.099 1
1 114 . 7 1 1 A 12 12 CYS N N 12 114.990 118.384 -3.394 1
1 115 . 7 1 1 A 13 13 THR H H 13 7.600 7.709 -0.109 1
1 116 . 7 1 1 A 13 13 THR HA H 13 3.346 4.364 -1.018 1
1 121 . 7 1 1 A 13 13 THR CA C 13 66.553 63.439 3.114 1
1 122 . 7 1 1 A 13 13 THR CB C 13 68.908 69.657 -0.749 1
1 124 . 7 1 1 A 13 13 THR N N 13 115.078 113.827 1.251 1
1 125 . 7 1 1 A 14 14 LYS H H 14 7.138 7.531 -0.393 1
1 126 . 7 1 1 A 14 14 LYS HA H 14 4.141 4.631 -0.490 1
1 132 . 7 1 1 A 14 14 LYS CA C 14 56.515 55.490 1.025 1
1 133 . 7 1 1 A 14 14 LYS CB C 14 33.392 32.791 0.601 1
1 137 . 7 1 1 A 14 14 LYS N N 14 119.549 121.153 -1.604 1
1 138 . 7 1 1 A 15 15 TRP H H 15 7.747 7.880 -0.133 1
1 139 . 7 1 1 A 15 15 TRP HA H 15 4.360 4.915 -0.555 1
1 143 . 7 1 1 A 15 15 TRP CA C 15 57.057 56.367 0.690 1
1 144 . 7 1 1 A 15 15 TRP CB C 15 29.949 30.836 -0.887 1
1 145 . 7 1 1 A 15 15 TRP N N 15 122.233 125.354 -3.121 1
1 147 . 7 1 1 A 16 16 SER H H 16 7.845 8.576 -0.731 1
1 148 . 7 1 1 A 16 16 SER HA H 16 4.236 4.939 -0.703 1
1 151 . 7 1 1 A 16 16 SER CA C 16 57.866 57.193 0.673 1
1 152 . 7 1 1 A 16 16 SER CB C 16 64.242 64.031 0.211 1
1 153 . 7 1 1 A 16 16 SER N N 16 116.282 115.476 0.806 1
1 154 . 7 1 1 A 17 17 GLN H H 17 8.150 8.217 -0.067 1
1 155 . 7 1 1 A 17 17 GLN HA H 17 4.238 4.418 -0.180 1
1 159 . 7 1 1 A 17 17 GLN CA C 17 55.929 55.763 0.166 1
1 160 . 7 1 1 A 17 17 GLN CB C 17 29.663 27.773 1.890 1
1 162 . 7 1 1 A 17 17 GLN N N 17 122.525 118.674 3.851 1
1 163 . 7 1 1 A 18 18 GLY H H 18 8.313 8.340 -0.027 1
1 164 . 7 1 1 A 18 18 GLY HA2 H 18 3.928 3.869 0.059 1
1 165 . 7 1 1 A 18 18 GLY N N 18 110.285 113.040 -2.755 1
1 166 . 7 1 1 A 19 19 GLY H H 19 8.241 8.493 -0.252 1
1 167 . 7 1 1 A 19 19 GLY HA2 H 19 3.939 3.872 0.067 1
1 168 . 7 1 1 A 19 19 GLY N N 19 108.776 112.950 -4.174 1
1 169 . 7 1 1 A 20 20 THR H H 20 8.166 7.481 0.685 1
1 170 . 7 1 1 A 20 20 THR HA H 20 4.318 4.116 0.202 1
1 175 . 7 1 1 A 20 20 THR CA C 20 61.985 62.474 -0.489 1
1 176 . 7 1 1 A 20 20 THR CB C 20 69.591 67.691 1.900 1
1 178 . 7 1 1 A 20 20 THR N N 20 113.035 107.368 5.667 1
1 179 . 7 1 1 A 21 21 GLY H H 21 8.423 8.505 -0.082 1
1 180 . 7 1 1 A 21 21 GLY HA2 H 21 3.836 4.180 -0.344 1
1 181 . 7 1 1 A 21 21 GLY HA3 H 21 4.047 4.180 -0.133 1
1 182 . 7 1 1 A 21 21 GLY CA C 21 45.397 45.902 -0.505 1
1 183 . 7 1 1 A 21 21 GLY N N 21 111.299 115.689 -4.390 1
1 184 . 7 1 1 A 22 22 THR H H 22 7.915 7.972 -0.057 1
1 185 . 7 1 1 A 22 22 THR HA H 22 4.279 4.439 -0.160 1
1 190 . 7 1 1 A 22 22 THR CA C 22 61.845 63.051 -1.206 1
1 191 . 7 1 1 A 22 22 THR CB C 22 69.755 69.091 0.664 1
1 193 . 7 1 1 A 22 22 THR N N 22 113.293 115.065 -1.772 1
1 194 . 7 1 1 A 23 23 LEU H H 23 8.132 7.708 0.424 1
1 195 . 7 1 1 A 23 23 LEU HA H 23 4.282 4.539 -0.257 1
1 205 . 7 1 1 A 23 23 LEU CA C 23 55.052 55.731 -0.679 1
1 206 . 7 1 1 A 23 23 LEU CB C 23 42.511 43.151 -0.640 1
1 210 . 7 1 1 A 23 23 LEU N N 23 124.055 120.992 3.063 1
1 211 . 7 1 1 A 24 24 TRP H H 24 8.011 7.582 0.429 1
1 212 . 7 1 1 A 24 24 TRP HA H 24 4.694 4.848 -0.154 1
1 216 . 7 1 1 A 24 24 TRP CA C 24 56.611 56.758 -0.147 1
1 217 . 7 1 1 A 24 24 TRP CB C 24 30.203 31.639 -1.436 1
1 218 . 7 1 1 A 24 24 TRP N N 24 122.196 115.840 6.356 1
1 220 . 7 1 1 A 25 25 LYS H H 25 8.384 9.022 -0.638 1
1 221 . 7 1 1 A 25 25 LYS HA H 25 4.415 4.241 0.174 1
1 228 . 7 1 1 A 25 25 LYS CB C 25 34.608 32.097 2.511 1
1 232 . 7 1 1 A 25 25 LYS N N 25 122.979 121.673 1.306 1
1 233 . 7 1 1 A 26 26 SER H H 26 8.703 8.293 0.410 1
1 234 . 7 1 1 A 26 26 SER HA H 26 4.689 4.838 -0.149 1
1 237 . 7 1 1 A 26 26 SER CA C 26 60.110 55.774 4.336 1
1 238 . 7 1 1 A 26 26 SER CB C 26 64.419 65.665 -1.246 1
1 239 . 7 1 1 A 26 26 SER N N 26 117.775 114.719 3.056 1
1 240 . 7 1 1 A 27 27 CYS H H 27 8.216 9.228 -1.012 1
1 241 . 7 1 1 A 27 27 CYS HA H 27 4.382 4.356 0.026 1
1 244 . 7 1 1 A 27 27 CYS CA C 27 58.151 58.647 -0.496 1
1 245 . 7 1 1 A 27 27 CYS CB C 27 36.051 42.274 -6.223 1
1 246 . 7 1 1 A 27 27 CYS N N 27 119.629 119.832 -0.203 1
1 247 . 7 1 1 A 28 28 ASN H H 28 8.640 8.341 0.299 1
1 248 . 7 1 1 A 28 28 ASN HA H 28 4.039 4.492 -0.453 1
1 251 . 7 1 1 A 28 28 ASN CA C 28 57.688 56.466 1.222 1
1 252 . 7 1 1 A 28 28 ASN CB C 28 39.578 39.310 0.268 1
1 253 . 7 1 1 A 28 28 ASN N N 28 117.431 120.498 -3.067 1
1 254 . 7 1 1 A 29 29 ASP H H 29 7.910 8.056 -0.146 1
1 255 . 7 1 1 A 29 29 ASP HA H 29 4.290 4.345 -0.055 1
1 258 . 7 1 1 A 29 29 ASP CA C 29 57.649 57.339 0.310 1
1 259 . 7 1 1 A 29 29 ASP CB C 29 40.511 40.959 -0.448 1
1 260 . 7 1 1 A 29 29 ASP N N 29 117.680 119.486 -1.806 1
1 261 . 7 1 1 A 30 30 ARG H H 30 8.559 7.686 0.873 1
1 262 . 7 1 1 A 30 30 ARG HA H 30 3.792 4.089 -0.297 1
1 267 . 7 1 1 A 30 30 ARG CA C 30 59.243 59.512 -0.269 1
1 268 . 7 1 1 A 30 30 ARG CB C 30 29.806 29.992 -0.186 1
1 271 . 7 1 1 A 30 30 ARG N N 30 121.907 118.002 3.905 1
1 272 . 7 1 1 A 31 31 CYS H H 31 8.066 8.443 -0.377 1
1 273 . 7 1 1 A 31 31 CYS HA H 31 4.285 4.336 -0.051 1
1 276 . 7 1 1 A 31 31 CYS CA C 31 58.396 60.662 -2.266 1
1 277 . 7 1 1 A 31 31 CYS CB C 31 36.213 41.463 -5.250 1
1 278 . 7 1 1 A 31 31 CYS N N 31 117.122 118.082 -0.960 1
1 279 . 7 1 1 A 32 32 LYS H H 32 8.096 7.920 0.176 1
1 280 . 7 1 1 A 32 32 LYS HA H 32 4.402 3.939 0.463 1
1 286 . 7 1 1 A 32 32 LYS CA C 32 59.508 59.456 0.052 1
1 287 . 7 1 1 A 32 32 LYS CB C 32 31.698 31.966 -0.268 1
1 289 . 7 1 1 A 32 32 LYS N N 32 121.727 122.880 -1.153 1
1 290 . 7 1 1 A 33 33 GLU H H 33 8.131 7.659 0.472 1
1 291 . 7 1 1 A 33 33 GLU HA H 33 4.090 4.123 -0.033 1
1 295 . 7 1 1 A 33 33 GLU CA C 33 59.018 58.976 0.042 1
1 296 . 7 1 1 A 33 33 GLU CB C 33 29.103 29.222 -0.119 1
1 298 . 7 1 1 A 33 33 GLU N N 33 121.845 118.939 2.906 1
1 299 . 7 1 1 A 34 34 LEU H H 34 7.318 7.449 -0.131 1
1 300 . 7 1 1 A 34 34 LEU HA H 34 4.385 4.389 -0.004 1
1 310 . 7 1 1 A 34 34 LEU CA C 34 54.830 54.763 0.067 1
1 311 . 7 1 1 A 34 34 LEU CB C 34 42.243 42.065 0.178 1
1 315 . 7 1 1 A 34 34 LEU N N 34 117.966 118.296 -0.330 1
1 316 . 7 1 1 A 35 35 GLY H H 35 7.931 7.954 -0.023 1
1 317 . 7 1 1 A 35 35 GLY HA2 H 35 3.793 3.960 -0.167 1
1 318 . 7 1 1 A 35 35 GLY HA3 H 35 4.251 3.960 0.291 1
1 319 . 7 1 1 A 35 35 GLY CA C 35 39.163 46.388 -7.225 1
1 320 . 7 1 1 A 35 35 GLY N N 35 107.160 108.246 -1.086 1
1 321 . 7 1 1 A 36 36 ARG H H 36 7.772 7.638 0.134 1
1 322 . 7 1 1 A 36 36 ARG HA H 36 4.700 4.712 -0.012 1
1 329 . 7 1 1 A 36 36 ARG CA C 36 52.697 54.660 -1.963 1
1 330 . 7 1 1 A 36 36 ARG CB C 36 27.998 32.629 -4.631 1
1 333 . 7 1 1 A 36 36 ARG N N 36 119.227 119.239 -0.012 1
1 334 . 7 1 1 A 37 37 LYS H H 37 9.057 8.810 0.247 1
1 335 . 7 1 1 A 37 37 LYS HA H 37 4.220 4.455 -0.235 1
1 342 . 7 1 1 A 37 37 LYS CA C 37 58.398 57.553 0.845 1
1 343 . 7 1 1 A 37 37 LYS CB C 37 33.797 32.781 1.016 1
1 346 . 7 1 1 A 37 37 LYS N N 37 119.506 120.112 -0.606 1
1 347 . 7 1 1 A 38 38 ARG H H 38 8.278 7.902 0.376 1
1 348 . 7 1 1 A 38 38 ARG HA H 38 4.721 4.871 -0.150 1
1 354 . 7 1 1 A 38 38 ARG CA C 38 54.582 54.412 0.170 1
1 355 . 7 1 1 A 38 38 ARG CB C 38 32.642 33.830 -1.188 1
1 358 . 7 1 1 A 38 38 ARG N N 38 113.248 114.514 -1.266 1
1 359 . 7 1 1 A 39 39 GLY H H 39 9.055 8.653 0.402 1
1 360 . 7 1 1 A 39 39 GLY HA2 H 39 3.895 4.298 -0.403 1
1 361 . 7 1 1 A 39 39 GLY HA3 H 39 5.551 4.298 1.253 1
1 362 . 7 1 1 A 39 39 GLY CA C 39 46.770 44.458 2.312 1
1 363 . 7 1 1 A 39 39 GLY N N 39 107.276 106.821 0.455 1
1 364 . 7 1 1 A 40 40 GLN H H 40 9.453 9.620 -0.167 1
1 365 . 7 1 1 A 40 40 GLN HA H 40 4.717 5.044 -0.327 1
1 370 . 7 1 1 A 40 40 GLN CA C 40 54.463 54.481 -0.018 1
1 371 . 7 1 1 A 40 40 GLN CB C 40 32.364 31.001 1.363 1
1 373 . 7 1 1 A 40 40 GLN N N 40 120.430 119.120 1.310 1
1 374 . 7 1 1 A 41 41 CYS H H 41 9.208 8.542 0.666 1
1 375 . 7 1 1 A 41 41 CYS HA H 41 5.935 4.775 1.160 1
1 378 . 7 1 1 A 41 41 CYS CA C 41 59.537 54.637 4.900 1
1 379 . 7 1 1 A 41 41 CYS CB C 41 48.386 41.332 7.054 1
1 380 . 7 1 1 A 41 41 CYS N N 41 122.768 122.028 0.740 1
1 381 . 7 1 1 A 42 42 GLU H H 42 9.529 9.127 0.402 1
1 382 . 7 1 1 A 42 42 GLU HA H 42 5.066 4.713 0.353 1
1 386 . 7 1 1 A 42 42 GLU CA C 42 54.869 53.972 0.897 1
1 387 . 7 1 1 A 42 42 GLU CB C 42 35.149 32.282 2.867 1
1 389 . 7 1 1 A 42 42 GLU N N 42 122.626 125.175 -2.549 1
1 390 . 7 1 1 A 43 43 GLU H H 43 8.450 8.319 0.131 1
1 391 . 7 1 1 A 43 43 GLU HA H 43 3.973 4.494 -0.521 1
1 396 . 7 1 1 A 43 43 GLU CA C 43 55.920 55.858 0.062 1
1 397 . 7 1 1 A 43 43 GLU CB C 43 29.068 29.903 -0.835 1
1 399 . 7 1 1 A 43 43 GLU N N 43 122.712 121.359 1.353 1
1 400 . 7 1 1 A 44 44 LYS H H 44 8.051 7.192 0.859 1
1 401 . 7 1 1 A 44 44 LYS HA H 44 4.858 4.421 0.437 1
1 408 . 7 1 1 A 44 44 LYS CA C 44 51.858 54.631 -2.773 1
1 409 . 7 1 1 A 44 44 LYS CB C 44 33.736 32.882 0.854 1
1 413 . 7 1 1 A 44 44 LYS N N 44 124.525 121.211 3.314 1
1 414 . 7 1 1 A 45 45 PRO HA H 45 4.371 4.532 -0.161 1
1 421 . 7 1 1 A 45 45 PRO CA C 45 64.556 63.906 0.650 1
1 422 . 7 1 1 A 45 45 PRO CB C 45 31.781 32.871 -1.090 1
1 425 . 7 1 1 A 46 46 SER H H 46 8.132 8.341 -0.209 1
1 426 . 7 1 1 A 46 46 SER HA H 46 4.119 4.219 -0.100 1
1 429 . 7 1 1 A 46 46 SER CA C 46 60.190 61.136 -0.946 1
1 430 . 7 1 1 A 46 46 SER CB C 46 62.093 62.228 -0.135 1
1 431 . 7 1 1 A 46 46 SER N N 46 109.975 114.352 -4.377 1
1 432 . 7 1 1 A 47 47 ARG H H 47 7.381 7.605 -0.224 1
1 433 . 7 1 1 A 47 47 ARG HA H 47 4.448 4.428 0.020 1
1 438 . 7 1 1 A 47 47 ARG CA C 47 56.257 55.907 0.350 1
1 439 . 7 1 1 A 47 47 ARG CB C 47 32.699 30.788 1.911 1
1 442 . 7 1 1 A 47 47 ARG N N 47 120.043 116.732 3.311 1
1 443 . 7 1 1 A 48 48 CYS H H 48 7.864 7.526 0.338 1
1 444 . 7 1 1 A 48 48 CYS HA H 48 5.145 4.831 0.314 1
1 447 . 7 1 1 A 48 48 CYS CA C 48 52.322 53.384 -1.062 1
1 448 . 7 1 1 A 48 48 CYS CB C 48 41.255 42.974 -1.719 1
1 449 . 7 1 1 A 48 48 CYS N N 48 118.806 119.238 -0.432 1
1 450 . 7 1 1 A 49 49 PRO HA H 49 4.475 4.601 -0.126 1
1 457 . 7 1 1 A 49 49 PRO CA C 49 64.149 63.862 0.287 1
1 458 . 7 1 1 A 49 49 PRO CB C 49 32.684 31.780 0.904 1
1 461 . 7 1 1 A 50 50 LEU H H 50 8.839 7.937 0.902 1
1 462 . 7 1 1 A 50 50 LEU HA H 50 4.436 4.531 -0.095 1
1 472 . 7 1 1 A 50 50 LEU CA C 50 54.154 53.963 0.191 1
1 473 . 7 1 1 A 50 50 LEU CB C 50 41.344 42.250 -0.906 1
1 477 . 7 1 1 A 50 50 LEU N N 50 122.400 120.842 1.558 1
1 478 . 7 1 1 A 51 51 SER H H 51 8.563 9.038 -0.475 1
1 479 . 7 1 1 A 51 51 SER HA H 51 4.042 4.285 -0.243 1
1 481 . 7 1 1 A 51 51 SER CA C 51 60.771 60.735 0.036 1
1 482 . 7 1 1 A 51 51 SER CB C 51 62.818 63.056 -0.238 1
1 483 . 7 1 1 A 51 51 SER N N 51 120.571 119.546 1.025 1
1 484 . 7 1 1 A 52 52 LYS H H 52 8.067 7.650 0.417 1
1 485 . 7 1 1 A 52 52 LYS HA H 52 4.324 4.198 0.126 1
1 491 . 7 1 1 A 52 52 LYS CA C 52 56.796 58.071 -1.275 1
1 492 . 7 1 1 A 52 52 LYS CB C 52 31.870 32.001 -0.131 1
1 496 . 7 1 1 A 52 52 LYS N N 52 117.675 120.383 -2.708 1
1 497 . 7 1 1 A 53 53 LYS H H 53 7.619 7.312 0.307 1
1 498 . 7 1 1 A 53 53 LYS HA H 53 4.426 4.417 0.009 1
1 504 . 7 1 1 A 53 53 LYS CA C 53 55.204 57.925 -2.721 1
1 505 . 7 1 1 A 53 53 LYS CB C 53 33.881 33.024 0.857 1
1 509 . 7 1 1 A 53 53 LYS N N 53 122.168 117.584 4.584 1
1 510 . 7 1 1 A 54 54 ALA H H 54 8.485 7.577 0.908 1
1 511 . 7 1 1 A 54 54 ALA HA H 54 4.410 3.962 0.448 1
1 515 . 7 1 1 A 54 54 ALA CA C 54 53.135 53.162 -0.027 1
1 516 . 7 1 1 A 54 54 ALA CB C 54 21.208 17.330 3.878 1
1 517 . 7 1 1 A 54 54 ALA N N 54 122.332 119.845 2.487 1
1 518 . 7 1 1 A 55 55 TRP H H 55 8.517 7.883 0.634 1
1 519 . 7 1 1 A 55 55 TRP HA H 55 4.676 4.959 -0.283 1
1 523 . 7 1 1 A 55 55 TRP CA C 55 57.259 57.172 0.087 1
1 524 . 7 1 1 A 55 55 TRP CB C 55 30.373 31.417 -1.044 1
1 525 . 7 1 1 A 55 55 TRP N N 55 117.762 117.979 -0.217 1
1 527 . 7 1 1 A 56 56 THR H H 56 9.389 8.751 0.638 1
1 528 . 7 1 1 A 56 56 THR HA H 56 5.201 5.048 0.153 1
1 533 . 7 1 1 A 56 56 THR CA C 56 60.940 59.520 1.420 1
1 534 . 7 1 1 A 56 56 THR CB C 56 70.961 71.603 -0.642 1
1 536 . 7 1 1 A 56 56 THR N N 56 117.434 120.352 -2.918 1
1 537 . 7 1 1 A 57 57 CYS H H 57 8.665 8.032 0.633 1
1 538 . 7 1 1 A 57 57 CYS HA H 57 4.827 4.918 -0.091 1
1 541 . 7 1 1 A 57 57 CYS CA C 57 56.272 54.846 1.426 1
1 542 . 7 1 1 A 57 57 CYS CB C 57 37.251 42.487 -5.236 1
1 543 . 7 1 1 A 57 57 CYS N N 57 126.085 123.102 2.983 1
1 544 . 7 1 1 A 58 58 ILE H H 58 9.150 9.089 0.061 1
1 545 . 7 1 1 A 58 58 ILE HA H 58 4.297 4.376 -0.079 1
1 555 . 7 1 1 A 58 58 ILE CA C 58 58.322 60.332 -2.010 1
1 556 . 7 1 1 A 58 58 ILE CB C 58 37.652 38.384 -0.732 1
1 560 . 7 1 1 A 58 58 ILE N N 58 134.435 125.850 8.585 1
1 561 . 7 1 1 A 59 59 CYS H H 59 8.204 8.674 -0.470 1
1 562 . 7 1 1 A 59 59 CYS HA H 59 5.698 4.615 1.083 1
1 565 . 7 1 1 A 59 59 CYS CA C 59 51.508 56.661 -5.153 1
1 566 . 7 1 1 A 59 59 CYS CB C 59 36.523 42.174 -5.651 1
1 567 . 7 1 1 A 59 59 CYS N N 59 121.180 125.490 -4.310 1
1 8 . 8 1 1 A 2 2 ILE H H 2 8.299 7.797 0.502 1
1 9 . 8 1 1 A 2 2 ILE HA H 2 4.139 4.357 -0.218 1
1 19 . 8 1 1 A 2 2 ILE CA C 2 61.463 60.154 1.309 1
1 20 . 8 1 1 A 2 2 ILE CB C 2 38.545 37.828 0.717 1
1 24 . 8 1 1 A 2 2 ILE N N 2 121.433 122.304 -0.871 1
1 25 . 8 1 1 A 3 3 VAL H H 3 8.245 8.436 -0.191 1
1 26 . 8 1 1 A 3 3 VAL HA H 3 4.138 4.209 -0.071 1
1 34 . 8 1 1 A 3 3 VAL CA C 3 61.813 63.419 -1.606 1
1 35 . 8 1 1 A 3 3 VAL CB C 3 32.887 30.845 2.042 1
1 38 . 8 1 1 A 3 3 VAL N N 3 123.973 124.408 -0.435 1
1 39 . 8 1 1 A 4 4 ASP H H 4 8.320 8.487 -0.167 1
1 40 . 8 1 1 A 4 4 ASP HA H 4 4.499 5.169 -0.670 1
1 43 . 8 1 1 A 4 4 ASP CA C 4 53.912 54.367 -0.455 1
1 44 . 8 1 1 A 4 4 ASP CB C 4 41.523 44.508 -2.985 1
1 45 . 8 1 1 A 4 4 ASP N N 4 123.308 124.823 -1.515 1
1 46 . 8 1 1 A 5 5 CYS H H 5 7.560 9.059 -1.499 1
1 47 . 8 1 1 A 5 5 CYS HA H 5 5.355 5.171 0.184 1
1 50 . 8 1 1 A 5 5 CYS CA C 5 54.544 55.760 -1.216 1
1 51 . 8 1 1 A 5 5 CYS CB C 5 44.815 46.505 -1.690 1
1 52 . 8 1 1 A 5 5 CYS N N 5 121.272 120.893 0.379 1
1 53 . 8 1 1 A 6 6 TRP H H 6 9.768 8.852 0.916 1
1 54 . 8 1 1 A 6 6 TRP HA H 6 4.727 4.718 0.009 1
1 58 . 8 1 1 A 6 6 TRP CB C 6 34.880 30.384 4.496 1
1 59 . 8 1 1 A 6 6 TRP N N 6 120.939 127.665 -6.726 1
1 61 . 8 1 1 A 7 7 GLU H H 7 10.518 8.581 1.937 1
1 62 . 8 1 1 A 7 7 GLU HA H 7 4.872 4.512 0.360 1
1 66 . 8 1 1 A 7 7 GLU CA C 7 59.493 57.805 1.688 1
1 67 . 8 1 1 A 7 7 GLU CB C 7 31.264 31.606 -0.342 1
1 69 . 8 1 1 A 7 7 GLU N N 7 119.048 126.309 -7.261 1
1 70 . 8 1 1 A 8 8 THR H H 8 7.112 7.594 -0.482 1
1 71 . 8 1 1 A 8 8 THR HA H 8 4.509 4.521 -0.012 1
1 76 . 8 1 1 A 8 8 THR CA C 8 57.991 62.343 -4.352 1
1 77 . 8 1 1 A 8 8 THR CB C 8 73.377 68.997 4.380 1
1 79 . 8 1 1 A 8 8 THR N N 8 103.295 112.902 -9.607 1
1 80 . 8 1 1 A 9 9 TRP H H 9 7.902 7.804 0.098 1
1 81 . 8 1 1 A 9 9 TRP HA H 9 2.806 5.022 -2.216 1
1 85 . 8 1 1 A 9 9 TRP CA C 9 62.403 58.031 4.372 1
1 86 . 8 1 1 A 9 9 TRP CB C 9 26.876 30.330 -3.454 1
1 87 . 8 1 1 A 9 9 TRP N N 9 121.679 123.350 -1.671 1
1 89 . 8 1 1 A 10 10 SER H H 10 8.585 8.231 0.354 1
1 90 . 8 1 1 A 10 10 SER HA H 10 3.354 4.459 -1.105 1
1 93 . 8 1 1 A 10 10 SER CA C 10 61.924 57.864 4.060 1
1 94 . 8 1 1 A 10 10 SER CB C 10 62.121 63.497 -1.376 1
1 95 . 8 1 1 A 10 10 SER N N 10 114.940 113.807 1.133 1
1 96 . 8 1 1 A 11 11 ARG H H 11 7.619 7.436 0.183 1
1 97 . 8 1 1 A 11 11 ARG HA H 11 3.797 4.006 -0.209 1
1 103 . 8 1 1 A 11 11 ARG CA C 11 58.216 58.723 -0.507 1
1 104 . 8 1 1 A 11 11 ARG CB C 11 30.189 29.135 1.054 1
1 107 . 8 1 1 A 11 11 ARG N N 11 120.414 121.011 -0.597 1
1 108 . 8 1 1 A 12 12 CYS H H 12 6.939 7.740 -0.801 1
1 109 . 8 1 1 A 12 12 CYS HA H 12 2.633 4.620 -1.987 1
1 112 . 8 1 1 A 12 12 CYS CA C 12 58.084 56.342 1.742 1
1 113 . 8 1 1 A 12 12 CYS CB C 12 41.245 42.389 -1.144 1
1 114 . 8 1 1 A 12 12 CYS N N 12 114.990 114.456 0.534 1
1 115 . 8 1 1 A 13 13 THR H H 13 7.600 7.455 0.145 1
1 116 . 8 1 1 A 13 13 THR HA H 13 3.346 4.576 -1.230 1
1 121 . 8 1 1 A 13 13 THR CA C 13 66.553 62.947 3.606 1
1 122 . 8 1 1 A 13 13 THR CB C 13 68.908 69.899 -0.991 1
1 124 . 8 1 1 A 13 13 THR N N 13 115.078 113.958 1.120 1
1 125 . 8 1 1 A 14 14 LYS H H 14 7.138 7.509 -0.371 1
1 126 . 8 1 1 A 14 14 LYS HA H 14 4.141 4.448 -0.307 1
1 132 . 8 1 1 A 14 14 LYS CA C 14 56.515 56.840 -0.325 1
1 133 . 8 1 1 A 14 14 LYS CB C 14 33.392 34.672 -1.280 1
1 137 . 8 1 1 A 14 14 LYS N N 14 119.549 118.526 1.023 1
1 138 . 8 1 1 A 15 15 TRP H H 15 7.747 8.321 -0.574 1
1 139 . 8 1 1 A 15 15 TRP HA H 15 4.360 4.447 -0.087 1
1 143 . 8 1 1 A 15 15 TRP CA C 15 57.057 58.978 -1.921 1
1 144 . 8 1 1 A 15 15 TRP CB C 15 29.949 29.494 0.455 1
1 145 . 8 1 1 A 15 15 TRP N N 15 122.233 119.647 2.586 1
1 147 . 8 1 1 A 16 16 SER H H 16 7.845 7.849 -0.004 1
1 148 . 8 1 1 A 16 16 SER HA H 16 4.236 4.581 -0.345 1
1 151 . 8 1 1 A 16 16 SER CA C 16 57.866 57.784 0.082 1
1 152 . 8 1 1 A 16 16 SER CB C 16 64.242 63.218 1.024 1
1 153 . 8 1 1 A 16 16 SER N N 16 116.282 109.557 6.725 1
1 154 . 8 1 1 A 17 17 GLN H H 17 8.150 8.418 -0.268 1
1 155 . 8 1 1 A 17 17 GLN HA H 17 4.238 4.343 -0.105 1
1 159 . 8 1 1 A 17 17 GLN CA C 17 55.929 54.990 0.939 1
1 160 . 8 1 1 A 17 17 GLN CB C 17 29.663 27.796 1.867 1
1 162 . 8 1 1 A 17 17 GLN N N 17 122.525 121.974 0.551 1
1 163 . 8 1 1 A 18 18 GLY H H 18 8.313 8.295 0.018 1
1 164 . 8 1 1 A 18 18 GLY HA2 H 18 3.928 4.066 -0.138 1
1 165 . 8 1 1 A 18 18 GLY N N 18 110.285 110.446 -0.161 1
1 166 . 8 1 1 A 19 19 GLY H H 19 8.241 8.193 0.048 1
1 167 . 8 1 1 A 19 19 GLY HA2 H 19 3.939 4.034 -0.095 1
1 168 . 8 1 1 A 19 19 GLY N N 19 108.776 113.875 -5.099 1
1 169 . 8 1 1 A 20 20 THR H H 20 8.166 8.506 -0.340 1
1 170 . 8 1 1 A 20 20 THR HA H 20 4.318 4.242 0.076 1
1 175 . 8 1 1 A 20 20 THR CA C 20 61.985 64.103 -2.118 1
1 176 . 8 1 1 A 20 20 THR CB C 20 69.591 67.830 1.761 1
1 178 . 8 1 1 A 20 20 THR N N 20 113.035 110.505 2.530 1
1 179 . 8 1 1 A 21 21 GLY H H 21 8.423 8.690 -0.267 1
1 180 . 8 1 1 A 21 21 GLY HA2 H 21 3.836 3.977 -0.141 1
1 181 . 8 1 1 A 21 21 GLY HA3 H 21 4.047 3.977 0.070 1
1 182 . 8 1 1 A 21 21 GLY CA C 21 45.397 46.749 -1.352 1
1 183 . 8 1 1 A 21 21 GLY N N 21 111.299 110.898 0.401 1
1 184 . 8 1 1 A 22 22 THR H H 22 7.915 8.138 -0.223 1
1 185 . 8 1 1 A 22 22 THR HA H 22 4.279 4.644 -0.365 1
1 190 . 8 1 1 A 22 22 THR CA C 22 61.845 63.577 -1.732 1
1 191 . 8 1 1 A 22 22 THR CB C 22 69.755 70.960 -1.205 1
1 193 . 8 1 1 A 22 22 THR N N 22 113.293 111.867 1.426 1
1 194 . 8 1 1 A 23 23 LEU H H 23 8.132 8.041 0.091 1
1 195 . 8 1 1 A 23 23 LEU HA H 23 4.282 4.626 -0.344 1
1 205 . 8 1 1 A 23 23 LEU CA C 23 55.052 56.178 -1.126 1
1 206 . 8 1 1 A 23 23 LEU CB C 23 42.511 44.845 -2.334 1
1 210 . 8 1 1 A 23 23 LEU N N 23 124.055 118.202 5.853 1
1 211 . 8 1 1 A 24 24 TRP H H 24 8.011 8.106 -0.095 1
1 212 . 8 1 1 A 24 24 TRP HA H 24 4.694 4.390 0.304 1
1 216 . 8 1 1 A 24 24 TRP CA C 24 56.611 58.316 -1.705 1
1 217 . 8 1 1 A 24 24 TRP CB C 24 30.203 28.230 1.973 1
1 218 . 8 1 1 A 24 24 TRP N N 24 122.196 119.588 2.608 1
1 220 . 8 1 1 A 25 25 LYS H H 25 8.384 8.716 -0.332 1
1 221 . 8 1 1 A 25 25 LYS HA H 25 4.415 4.715 -0.300 1
1 228 . 8 1 1 A 25 25 LYS CB C 25 34.608 34.434 0.174 1
1 232 . 8 1 1 A 25 25 LYS N N 25 122.979 125.942 -2.963 1
1 233 . 8 1 1 A 26 26 SER H H 26 8.703 8.303 0.400 1
1 234 . 8 1 1 A 26 26 SER HA H 26 4.689 4.767 -0.078 1
1 237 . 8 1 1 A 26 26 SER CA C 26 60.110 57.433 2.677 1
1 238 . 8 1 1 A 26 26 SER CB C 26 64.419 66.817 -2.398 1
1 239 . 8 1 1 A 26 26 SER N N 26 117.775 113.249 4.526 1
1 240 . 8 1 1 A 27 27 CYS H H 27 8.216 8.871 -0.655 1
1 241 . 8 1 1 A 27 27 CYS HA H 27 4.382 4.304 0.078 1
1 244 . 8 1 1 A 27 27 CYS CA C 27 58.151 60.273 -2.122 1
1 245 . 8 1 1 A 27 27 CYS CB C 27 36.051 41.747 -5.696 1
1 246 . 8 1 1 A 27 27 CYS N N 27 119.629 121.870 -2.241 1
1 247 . 8 1 1 A 28 28 ASN H H 28 8.640 8.331 0.309 1
1 248 . 8 1 1 A 28 28 ASN HA H 28 4.039 4.474 -0.435 1
1 251 . 8 1 1 A 28 28 ASN CA C 28 57.688 56.734 0.954 1
1 252 . 8 1 1 A 28 28 ASN CB C 28 39.578 39.862 -0.284 1
1 253 . 8 1 1 A 28 28 ASN N N 28 117.431 119.930 -2.499 1
1 254 . 8 1 1 A 29 29 ASP H H 29 7.910 8.416 -0.506 1
1 255 . 8 1 1 A 29 29 ASP HA H 29 4.290 4.342 -0.052 1
1 258 . 8 1 1 A 29 29 ASP CA C 29 57.649 57.579 0.070 1
1 259 . 8 1 1 A 29 29 ASP CB C 29 40.511 41.660 -1.149 1
1 260 . 8 1 1 A 29 29 ASP N N 29 117.680 119.110 -1.430 1
1 261 . 8 1 1 A 30 30 ARG H H 30 8.559 7.949 0.610 1
1 262 . 8 1 1 A 30 30 ARG HA H 30 3.792 4.120 -0.328 1
1 267 . 8 1 1 A 30 30 ARG CA C 30 59.243 59.218 0.025 1
1 268 . 8 1 1 A 30 30 ARG CB C 30 29.806 29.433 0.373 1
1 271 . 8 1 1 A 30 30 ARG N N 30 121.907 117.871 4.036 1
1 272 . 8 1 1 A 31 31 CYS H H 31 8.066 8.061 0.005 1
1 273 . 8 1 1 A 31 31 CYS HA H 31 4.285 4.374 -0.089 1
1 276 . 8 1 1 A 31 31 CYS CA C 31 58.396 60.698 -2.302 1
1 277 . 8 1 1 A 31 31 CYS CB C 31 36.213 41.317 -5.104 1
1 278 . 8 1 1 A 31 31 CYS N N 31 117.122 118.414 -1.292 1
1 279 . 8 1 1 A 32 32 LYS H H 32 8.096 7.759 0.337 1
1 280 . 8 1 1 A 32 32 LYS HA H 32 4.402 4.056 0.346 1
1 286 . 8 1 1 A 32 32 LYS CA C 32 59.508 59.537 -0.029 1
1 287 . 8 1 1 A 32 32 LYS CB C 32 31.698 32.130 -0.432 1
1 289 . 8 1 1 A 32 32 LYS N N 32 121.727 120.206 1.521 1
1 290 . 8 1 1 A 33 33 GLU H H 33 8.131 7.591 0.540 1
1 291 . 8 1 1 A 33 33 GLU HA H 33 4.090 4.058 0.032 1
1 295 . 8 1 1 A 33 33 GLU CA C 33 59.018 59.131 -0.113 1
1 296 . 8 1 1 A 33 33 GLU CB C 33 29.103 29.428 -0.325 1
1 298 . 8 1 1 A 33 33 GLU N N 33 121.845 120.720 1.125 1
1 299 . 8 1 1 A 34 34 LEU H H 34 7.318 7.629 -0.311 1
1 300 . 8 1 1 A 34 34 LEU HA H 34 4.385 4.243 0.142 1
1 310 . 8 1 1 A 34 34 LEU CA C 34 54.830 55.930 -1.100 1
1 311 . 8 1 1 A 34 34 LEU CB C 34 42.243 42.857 -0.614 1
1 315 . 8 1 1 A 34 34 LEU N N 34 117.966 118.159 -0.193 1
1 316 . 8 1 1 A 35 35 GLY H H 35 7.931 7.961 -0.030 1
1 317 . 8 1 1 A 35 35 GLY HA2 H 35 3.793 3.963 -0.170 1
1 318 . 8 1 1 A 35 35 GLY HA3 H 35 4.251 3.963 0.288 1
1 319 . 8 1 1 A 35 35 GLY CA C 35 39.163 45.767 -6.604 1
1 320 . 8 1 1 A 35 35 GLY N N 35 107.160 106.321 0.839 1
1 321 . 8 1 1 A 36 36 ARG H H 36 7.772 7.650 0.122 1
1 322 . 8 1 1 A 36 36 ARG HA H 36 4.700 4.712 -0.012 1
1 329 . 8 1 1 A 36 36 ARG CA C 36 52.697 54.531 -1.834 1
1 330 . 8 1 1 A 36 36 ARG CB C 36 27.998 32.370 -4.372 1
1 333 . 8 1 1 A 36 36 ARG N N 36 119.227 119.335 -0.108 1
1 334 . 8 1 1 A 37 37 LYS H H 37 9.057 8.883 0.174 1
1 335 . 8 1 1 A 37 37 LYS HA H 37 4.220 4.334 -0.114 1
1 342 . 8 1 1 A 37 37 LYS CA C 37 58.398 58.266 0.132 1
1 343 . 8 1 1 A 37 37 LYS CB C 37 33.797 33.033 0.764 1
1 346 . 8 1 1 A 37 37 LYS N N 37 119.506 121.350 -1.844 1
1 347 . 8 1 1 A 38 38 ARG H H 38 8.278 7.863 0.415 1
1 348 . 8 1 1 A 38 38 ARG HA H 38 4.721 4.736 -0.015 1
1 354 . 8 1 1 A 38 38 ARG CA C 38 54.582 54.690 -0.108 1
1 355 . 8 1 1 A 38 38 ARG CB C 38 32.642 31.763 0.879 1
1 358 . 8 1 1 A 38 38 ARG N N 38 113.248 114.293 -1.045 1
1 359 . 8 1 1 A 39 39 GLY H H 39 9.055 8.418 0.637 1
1 360 . 8 1 1 A 39 39 GLY HA2 H 39 3.895 4.315 -0.420 1
1 361 . 8 1 1 A 39 39 GLY HA3 H 39 5.551 4.315 1.236 1
1 362 . 8 1 1 A 39 39 GLY CA C 39 46.770 45.662 1.108 1
1 363 . 8 1 1 A 39 39 GLY N N 39 107.276 106.128 1.148 1
1 364 . 8 1 1 A 40 40 GLN H H 40 9.453 8.890 0.563 1
1 365 . 8 1 1 A 40 40 GLN HA H 40 4.717 5.032 -0.315 1
1 370 . 8 1 1 A 40 40 GLN CA C 40 54.463 54.122 0.341 1
1 371 . 8 1 1 A 40 40 GLN CB C 40 32.364 32.236 0.128 1
1 373 . 8 1 1 A 40 40 GLN N N 40 120.430 116.002 4.428 1
1 374 . 8 1 1 A 41 41 CYS H H 41 9.208 8.820 0.388 1
1 375 . 8 1 1 A 41 41 CYS HA H 41 5.935 4.629 1.306 1
1 378 . 8 1 1 A 41 41 CYS CA C 41 59.537 56.855 2.682 1
1 379 . 8 1 1 A 41 41 CYS CB C 41 48.386 43.054 5.332 1
1 380 . 8 1 1 A 41 41 CYS N N 41 122.768 120.730 2.038 1
1 381 . 8 1 1 A 42 42 GLU H H 42 9.529 9.167 0.362 1
1 382 . 8 1 1 A 42 42 GLU HA H 42 5.066 4.814 0.252 1
1 386 . 8 1 1 A 42 42 GLU CA C 42 54.869 54.484 0.385 1
1 387 . 8 1 1 A 42 42 GLU CB C 42 35.149 32.331 2.818 1
1 389 . 8 1 1 A 42 42 GLU N N 42 122.626 126.485 -3.859 1
1 390 . 8 1 1 A 43 43 GLU H H 43 8.450 8.051 0.399 1
1 391 . 8 1 1 A 43 43 GLU HA H 43 3.973 4.436 -0.463 1
1 396 . 8 1 1 A 43 43 GLU CA C 43 55.920 55.830 0.090 1
1 397 . 8 1 1 A 43 43 GLU CB C 43 29.068 27.838 1.230 1
1 399 . 8 1 1 A 43 43 GLU N N 43 122.712 121.482 1.230 1
1 400 . 8 1 1 A 44 44 LYS H H 44 8.051 7.544 0.507 1
1 401 . 8 1 1 A 44 44 LYS HA H 44 4.858 4.900 -0.042 1
1 408 . 8 1 1 A 44 44 LYS CA C 44 51.858 53.156 -1.298 1
1 409 . 8 1 1 A 44 44 LYS CB C 44 33.736 33.254 0.482 1
1 413 . 8 1 1 A 44 44 LYS N N 44 124.525 122.843 1.682 1
1 414 . 8 1 1 A 45 45 PRO HA H 45 4.371 4.519 -0.148 1
1 421 . 8 1 1 A 45 45 PRO CA C 45 64.556 63.938 0.618 1
1 422 . 8 1 1 A 45 45 PRO CB C 45 31.781 32.416 -0.635 1
1 425 . 8 1 1 A 46 46 SER H H 46 8.132 8.320 -0.188 1
1 426 . 8 1 1 A 46 46 SER HA H 46 4.119 4.264 -0.145 1
1 429 . 8 1 1 A 46 46 SER CA C 46 60.190 61.222 -1.032 1
1 430 . 8 1 1 A 46 46 SER CB C 46 62.093 62.867 -0.774 1
1 431 . 8 1 1 A 46 46 SER N N 46 109.975 114.200 -4.225 1
1 432 . 8 1 1 A 47 47 ARG H H 47 7.381 7.609 -0.228 1
1 433 . 8 1 1 A 47 47 ARG HA H 47 4.448 4.311 0.137 1
1 438 . 8 1 1 A 47 47 ARG CA C 47 56.257 57.092 -0.835 1
1 439 . 8 1 1 A 47 47 ARG CB C 47 32.699 30.555 2.144 1
1 442 . 8 1 1 A 47 47 ARG N N 47 120.043 118.311 1.732 1
1 443 . 8 1 1 A 48 48 CYS H H 48 7.864 7.730 0.134 1
1 444 . 8 1 1 A 48 48 CYS HA H 48 5.145 4.790 0.355 1
1 447 . 8 1 1 A 48 48 CYS CA C 48 52.322 54.441 -2.119 1
1 448 . 8 1 1 A 48 48 CYS CB C 48 41.255 43.574 -2.319 1
1 449 . 8 1 1 A 48 48 CYS N N 48 118.806 119.366 -0.560 1
1 450 . 8 1 1 A 49 49 PRO HA H 49 4.475 4.473 0.002 1
1 457 . 8 1 1 A 49 49 PRO CA C 49 64.149 64.970 -0.821 1
1 458 . 8 1 1 A 49 49 PRO CB C 49 32.684 32.233 0.451 1
1 461 . 8 1 1 A 50 50 LEU H H 50 8.839 8.065 0.774 1
1 462 . 8 1 1 A 50 50 LEU HA H 50 4.436 4.556 -0.120 1
1 472 . 8 1 1 A 50 50 LEU CA C 50 54.154 54.107 0.047 1
1 473 . 8 1 1 A 50 50 LEU CB C 50 41.344 40.937 0.407 1
1 477 . 8 1 1 A 50 50 LEU N N 50 122.400 119.143 3.257 1
1 478 . 8 1 1 A 51 51 SER H H 51 8.563 8.812 -0.249 1
1 479 . 8 1 1 A 51 51 SER HA H 51 4.042 4.146 -0.104 1
1 481 . 8 1 1 A 51 51 SER CA C 51 60.771 61.542 -0.771 1
1 482 . 8 1 1 A 51 51 SER CB C 51 62.818 63.112 -0.294 1
1 483 . 8 1 1 A 51 51 SER N N 51 120.571 121.164 -0.593 1
1 484 . 8 1 1 A 52 52 LYS H H 52 8.067 8.027 0.040 1
1 485 . 8 1 1 A 52 52 LYS HA H 52 4.324 4.018 0.306 1
1 491 . 8 1 1 A 52 52 LYS CA C 52 56.796 59.999 -3.203 1
1 492 . 8 1 1 A 52 52 LYS CB C 52 31.870 32.059 -0.189 1
1 496 . 8 1 1 A 52 52 LYS N N 52 117.675 122.318 -4.643 1
1 497 . 8 1 1 A 53 53 LYS H H 53 7.619 7.673 -0.054 1
1 498 . 8 1 1 A 53 53 LYS HA H 53 4.426 4.047 0.379 1
1 504 . 8 1 1 A 53 53 LYS CA C 53 55.204 59.261 -4.057 1
1 505 . 8 1 1 A 53 53 LYS CB C 53 33.881 32.772 1.109 1
1 509 . 8 1 1 A 53 53 LYS N N 53 122.168 118.944 3.224 1
1 510 . 8 1 1 A 54 54 ALA H H 54 8.485 7.737 0.748 1
1 511 . 8 1 1 A 54 54 ALA HA H 54 4.410 4.044 0.366 1
1 515 . 8 1 1 A 54 54 ALA CA C 54 53.135 53.903 -0.768 1
1 516 . 8 1 1 A 54 54 ALA CB C 54 21.208 18.292 2.916 1
1 517 . 8 1 1 A 54 54 ALA N N 54 122.332 119.528 2.804 1
1 518 . 8 1 1 A 55 55 TRP H H 55 8.517 8.087 0.430 1
1 519 . 8 1 1 A 55 55 TRP HA H 55 4.676 5.125 -0.449 1
1 523 . 8 1 1 A 55 55 TRP CA C 55 57.259 56.207 1.052 1
1 524 . 8 1 1 A 55 55 TRP CB C 55 30.373 31.186 -0.813 1
1 525 . 8 1 1 A 55 55 TRP N N 55 117.762 119.822 -2.060 1
1 527 . 8 1 1 A 56 56 THR H H 56 9.389 9.160 0.229 1
1 528 . 8 1 1 A 56 56 THR HA H 56 5.201 4.702 0.499 1
1 533 . 8 1 1 A 56 56 THR CA C 56 60.940 61.145 -0.205 1
1 534 . 8 1 1 A 56 56 THR CB C 56 70.961 72.144 -1.183 1
1 536 . 8 1 1 A 56 56 THR N N 56 117.434 116.368 1.066 1
1 537 . 8 1 1 A 57 57 CYS H H 57 8.665 9.699 -1.034 1
1 538 . 8 1 1 A 57 57 CYS HA H 57 4.827 4.567 0.260 1
1 541 . 8 1 1 A 57 57 CYS CA C 57 56.272 57.012 -0.740 1
1 542 . 8 1 1 A 57 57 CYS CB C 57 37.251 42.651 -5.400 1
1 543 . 8 1 1 A 57 57 CYS N N 57 126.085 125.633 0.452 1
1 544 . 8 1 1 A 58 58 ILE H H 58 9.150 9.048 0.102 1
1 545 . 8 1 1 A 58 58 ILE HA H 58 4.297 4.437 -0.140 1
1 555 . 8 1 1 A 58 58 ILE CA C 58 58.322 60.396 -2.074 1
1 556 . 8 1 1 A 58 58 ILE CB C 58 37.652 38.214 -0.562 1
1 560 . 8 1 1 A 58 58 ILE N N 58 134.435 126.946 7.489 1
1 561 . 8 1 1 A 59 59 CYS H H 59 8.204 8.489 -0.285 1
1 562 . 8 1 1 A 59 59 CYS HA H 59 5.698 4.859 0.839 1
1 565 . 8 1 1 A 59 59 CYS CA C 59 51.508 56.146 -4.638 1
1 566 . 8 1 1 A 59 59 CYS CB C 59 36.523 42.606 -6.083 1
1 567 . 8 1 1 A 59 59 CYS N N 59 121.180 126.270 -5.090 1
1 8 . 9 1 1 A 2 2 ILE H H 2 8.299 8.008 0.291 1
1 9 . 9 1 1 A 2 2 ILE HA H 2 4.139 4.423 -0.284 1
1 19 . 9 1 1 A 2 2 ILE CA C 2 61.463 59.336 2.127 1
1 20 . 9 1 1 A 2 2 ILE CB C 2 38.545 38.490 0.055 1
1 24 . 9 1 1 A 2 2 ILE N N 2 121.433 116.122 5.311 1
1 25 . 9 1 1 A 3 3 VAL H H 3 8.245 8.787 -0.542 1
1 26 . 9 1 1 A 3 3 VAL HA H 3 4.138 3.668 0.470 1
1 34 . 9 1 1 A 3 3 VAL CA C 3 61.813 63.136 -1.323 1
1 35 . 9 1 1 A 3 3 VAL CB C 3 32.887 30.284 2.603 1
1 38 . 9 1 1 A 3 3 VAL N N 3 123.973 121.863 2.110 1
1 39 . 9 1 1 A 4 4 ASP H H 4 8.320 7.928 0.392 1
1 40 . 9 1 1 A 4 4 ASP HA H 4 4.499 5.355 -0.856 1
1 43 . 9 1 1 A 4 4 ASP CA C 4 53.912 52.650 1.262 1
1 44 . 9 1 1 A 4 4 ASP CB C 4 41.523 42.645 -1.122 1
1 45 . 9 1 1 A 4 4 ASP N N 4 123.308 118.361 4.947 1
1 46 . 9 1 1 A 5 5 CYS H H 5 7.560 8.730 -1.170 1
1 47 . 9 1 1 A 5 5 CYS HA H 5 5.355 5.379 -0.024 1
1 50 . 9 1 1 A 5 5 CYS CA C 5 54.544 55.468 -0.924 1
1 51 . 9 1 1 A 5 5 CYS CB C 5 44.815 47.569 -2.754 1
1 52 . 9 1 1 A 5 5 CYS N N 5 121.272 119.747 1.525 1
1 53 . 9 1 1 A 6 6 TRP H H 6 9.768 9.013 0.755 1
1 54 . 9 1 1 A 6 6 TRP HA H 6 4.727 5.081 -0.354 1
1 58 . 9 1 1 A 6 6 TRP CB C 6 34.880 33.943 0.937 1
1 59 . 9 1 1 A 6 6 TRP N N 6 120.939 122.384 -1.445 1
1 61 . 9 1 1 A 7 7 GLU H H 7 10.518 9.545 0.973 1
1 62 . 9 1 1 A 7 7 GLU HA H 7 4.872 4.361 0.511 1
1 66 . 9 1 1 A 7 7 GLU CA C 7 59.493 58.592 0.901 1
1 67 . 9 1 1 A 7 7 GLU CB C 7 31.264 30.338 0.926 1
1 69 . 9 1 1 A 7 7 GLU N N 7 119.048 121.199 -2.151 1
1 70 . 9 1 1 A 8 8 THR H H 8 7.112 8.002 -0.890 1
1 71 . 9 1 1 A 8 8 THR HA H 8 4.509 4.255 0.254 1
1 76 . 9 1 1 A 8 8 THR CA C 8 57.991 63.794 -5.803 1
1 77 . 9 1 1 A 8 8 THR CB C 8 73.377 69.240 4.137 1
1 79 . 9 1 1 A 8 8 THR N N 8 103.295 113.834 -10.539 1
1 80 . 9 1 1 A 9 9 TRP H H 9 7.902 8.844 -0.942 1
1 81 . 9 1 1 A 9 9 TRP HA H 9 2.806 4.296 -1.490 1
1 85 . 9 1 1 A 9 9 TRP CA C 9 62.403 61.398 1.005 1
1 86 . 9 1 1 A 9 9 TRP CB C 9 26.876 30.007 -3.131 1
1 87 . 9 1 1 A 9 9 TRP N N 9 121.679 127.379 -5.700 1
1 89 . 9 1 1 A 10 10 SER H H 10 8.585 8.453 0.132 1
1 90 . 9 1 1 A 10 10 SER HA H 10 3.354 4.174 -0.820 1
1 93 . 9 1 1 A 10 10 SER CA C 10 61.924 61.514 0.410 1
1 94 . 9 1 1 A 10 10 SER CB C 10 62.121 62.521 -0.400 1
1 95 . 9 1 1 A 10 10 SER N N 10 114.940 113.740 1.200 1
1 96 . 9 1 1 A 11 11 ARG H H 11 7.619 7.760 -0.141 1
1 97 . 9 1 1 A 11 11 ARG HA H 11 3.797 4.076 -0.279 1
1 103 . 9 1 1 A 11 11 ARG CA C 11 58.216 59.357 -1.141 1
1 104 . 9 1 1 A 11 11 ARG CB C 11 30.189 29.417 0.772 1
1 107 . 9 1 1 A 11 11 ARG N N 11 120.414 121.251 -0.837 1
1 108 . 9 1 1 A 12 12 CYS H H 12 6.939 7.977 -1.038 1
1 109 . 9 1 1 A 12 12 CYS HA H 12 2.633 4.329 -1.696 1
1 112 . 9 1 1 A 12 12 CYS CA C 12 58.084 59.170 -1.086 1
1 113 . 9 1 1 A 12 12 CYS CB C 12 41.245 41.987 -0.742 1
1 114 . 9 1 1 A 12 12 CYS N N 12 114.990 118.304 -3.314 1
1 115 . 9 1 1 A 13 13 THR H H 13 7.600 7.329 0.271 1
1 116 . 9 1 1 A 13 13 THR HA H 13 3.346 4.285 -0.939 1
1 121 . 9 1 1 A 13 13 THR CA C 13 66.553 64.032 2.521 1
1 122 . 9 1 1 A 13 13 THR CB C 13 68.908 68.968 -0.060 1
1 124 . 9 1 1 A 13 13 THR N N 13 115.078 112.266 2.812 1
1 125 . 9 1 1 A 14 14 LYS H H 14 7.138 6.945 0.193 1
1 126 . 9 1 1 A 14 14 LYS HA H 14 4.141 4.385 -0.244 1
1 132 . 9 1 1 A 14 14 LYS CA C 14 56.515 56.595 -0.080 1
1 133 . 9 1 1 A 14 14 LYS CB C 14 33.392 33.968 -0.576 1
1 137 . 9 1 1 A 14 14 LYS N N 14 119.549 119.082 0.467 1
1 138 . 9 1 1 A 15 15 TRP H H 15 7.747 7.782 -0.035 1
1 139 . 9 1 1 A 15 15 TRP HA H 15 4.360 5.179 -0.819 1
1 143 . 9 1 1 A 15 15 TRP CA C 15 57.057 55.532 1.525 1
1 144 . 9 1 1 A 15 15 TRP CB C 15 29.949 32.594 -2.645 1
1 145 . 9 1 1 A 15 15 TRP N N 15 122.233 117.373 4.860 1
1 147 . 9 1 1 A 16 16 SER H H 16 7.845 8.820 -0.975 1
1 148 . 9 1 1 A 16 16 SER HA H 16 4.236 4.848 -0.612 1
1 151 . 9 1 1 A 16 16 SER CA C 16 57.866 57.993 -0.127 1
1 152 . 9 1 1 A 16 16 SER CB C 16 64.242 65.360 -1.118 1
1 153 . 9 1 1 A 16 16 SER N N 16 116.282 116.443 -0.161 1
1 154 . 9 1 1 A 17 17 GLN H H 17 8.150 8.719 -0.569 1
1 155 . 9 1 1 A 17 17 GLN HA H 17 4.238 4.187 0.051 1
1 159 . 9 1 1 A 17 17 GLN CA C 17 55.929 58.189 -2.260 1
1 160 . 9 1 1 A 17 17 GLN CB C 17 29.663 28.071 1.592 1
1 162 . 9 1 1 A 17 17 GLN N N 17 122.525 122.515 0.010 1
1 163 . 9 1 1 A 18 18 GLY H H 18 8.313 8.486 -0.173 1
1 164 . 9 1 1 A 18 18 GLY HA2 H 18 3.928 3.929 -0.001 1
1 165 . 9 1 1 A 18 18 GLY N N 18 110.285 109.205 1.080 1
1 166 . 9 1 1 A 19 19 GLY H H 19 8.241 8.463 -0.222 1
1 167 . 9 1 1 A 19 19 GLY HA2 H 19 3.939 4.011 -0.072 1
1 168 . 9 1 1 A 19 19 GLY N N 19 108.776 113.719 -4.943 1
1 169 . 9 1 1 A 20 20 THR H H 20 8.166 8.215 -0.049 1
1 170 . 9 1 1 A 20 20 THR HA H 20 4.318 3.864 0.454 1
1 175 . 9 1 1 A 20 20 THR CA C 20 61.985 64.678 -2.693 1
1 176 . 9 1 1 A 20 20 THR CB C 20 69.591 66.874 2.717 1
1 178 . 9 1 1 A 20 20 THR N N 20 113.035 110.711 2.324 1
1 179 . 9 1 1 A 21 21 GLY H H 21 8.423 8.326 0.097 1
1 180 . 9 1 1 A 21 21 GLY HA2 H 21 3.836 3.893 -0.057 1
1 181 . 9 1 1 A 21 21 GLY HA3 H 21 4.047 3.893 0.154 1
1 182 . 9 1 1 A 21 21 GLY CA C 21 45.397 46.559 -1.162 1
1 183 . 9 1 1 A 21 21 GLY N N 21 111.299 108.249 3.050 1
1 184 . 9 1 1 A 22 22 THR H H 22 7.915 8.238 -0.323 1
1 185 . 9 1 1 A 22 22 THR HA H 22 4.279 4.266 0.013 1
1 190 . 9 1 1 A 22 22 THR CA C 22 61.845 63.326 -1.481 1
1 191 . 9 1 1 A 22 22 THR CB C 22 69.755 69.403 0.352 1
1 193 . 9 1 1 A 22 22 THR N N 22 113.293 112.138 1.155 1
1 194 . 9 1 1 A 23 23 LEU H H 23 8.132 7.731 0.401 1
1 195 . 9 1 1 A 23 23 LEU HA H 23 4.282 4.448 -0.166 1
1 205 . 9 1 1 A 23 23 LEU CA C 23 55.052 56.197 -1.145 1
1 206 . 9 1 1 A 23 23 LEU CB C 23 42.511 43.336 -0.825 1
1 210 . 9 1 1 A 23 23 LEU N N 23 124.055 120.693 3.362 1
1 211 . 9 1 1 A 24 24 TRP H H 24 8.011 7.833 0.178 1
1 212 . 9 1 1 A 24 24 TRP HA H 24 4.694 4.589 0.105 1
1 216 . 9 1 1 A 24 24 TRP CA C 24 56.611 57.807 -1.196 1
1 217 . 9 1 1 A 24 24 TRP CB C 24 30.203 29.136 1.067 1
1 218 . 9 1 1 A 24 24 TRP N N 24 122.196 119.654 2.542 1
1 220 . 9 1 1 A 25 25 LYS H H 25 8.384 7.863 0.521 1
1 221 . 9 1 1 A 25 25 LYS HA H 25 4.415 4.349 0.066 1
1 228 . 9 1 1 A 25 25 LYS CB C 25 34.608 31.530 3.078 1
1 232 . 9 1 1 A 25 25 LYS N N 25 122.979 120.334 2.645 1
1 233 . 9 1 1 A 26 26 SER H H 26 8.703 8.484 0.219 1
1 234 . 9 1 1 A 26 26 SER HA H 26 4.689 4.393 0.296 1
1 237 . 9 1 1 A 26 26 SER CA C 26 60.110 59.126 0.984 1
1 238 . 9 1 1 A 26 26 SER CB C 26 64.419 62.983 1.436 1
1 239 . 9 1 1 A 26 26 SER N N 26 117.775 117.793 -0.018 1
1 240 . 9 1 1 A 27 27 CYS H H 27 8.216 8.575 -0.359 1
1 241 . 9 1 1 A 27 27 CYS HA H 27 4.382 4.234 0.148 1
1 244 . 9 1 1 A 27 27 CYS CA C 27 58.151 59.809 -1.658 1
1 245 . 9 1 1 A 27 27 CYS CB C 27 36.051 41.564 -5.513 1
1 246 . 9 1 1 A 27 27 CYS N N 27 119.629 122.441 -2.812 1
1 247 . 9 1 1 A 28 28 ASN H H 28 8.640 8.358 0.282 1
1 248 . 9 1 1 A 28 28 ASN HA H 28 4.039 4.454 -0.415 1
1 251 . 9 1 1 A 28 28 ASN CA C 28 57.688 56.353 1.335 1
1 252 . 9 1 1 A 28 28 ASN CB C 28 39.578 39.447 0.131 1
1 253 . 9 1 1 A 28 28 ASN N N 28 117.431 119.205 -1.774 1
1 254 . 9 1 1 A 29 29 ASP H H 29 7.910 8.449 -0.539 1
1 255 . 9 1 1 A 29 29 ASP HA H 29 4.290 4.253 0.037 1
1 258 . 9 1 1 A 29 29 ASP CA C 29 57.649 57.491 0.158 1
1 259 . 9 1 1 A 29 29 ASP CB C 29 40.511 41.471 -0.960 1
1 260 . 9 1 1 A 29 29 ASP N N 29 117.680 119.418 -1.738 1
1 261 . 9 1 1 A 30 30 ARG H H 30 8.559 8.081 0.478 1
1 262 . 9 1 1 A 30 30 ARG HA H 30 3.792 4.014 -0.222 1
1 267 . 9 1 1 A 30 30 ARG CA C 30 59.243 58.442 0.801 1
1 268 . 9 1 1 A 30 30 ARG CB C 30 29.806 29.218 0.588 1
1 271 . 9 1 1 A 30 30 ARG N N 30 121.907 117.226 4.681 1
1 272 . 9 1 1 A 31 31 CYS H H 31 8.066 8.027 0.039 1
1 273 . 9 1 1 A 31 31 CYS HA H 31 4.285 4.179 0.106 1
1 276 . 9 1 1 A 31 31 CYS CA C 31 58.396 61.297 -2.901 1
1 277 . 9 1 1 A 31 31 CYS CB C 31 36.213 42.068 -5.855 1
1 278 . 9 1 1 A 31 31 CYS N N 31 117.122 118.099 -0.977 1
1 279 . 9 1 1 A 32 32 LYS H H 32 8.096 7.652 0.444 1
1 280 . 9 1 1 A 32 32 LYS HA H 32 4.402 3.972 0.430 1
1 286 . 9 1 1 A 32 32 LYS CA C 32 59.508 59.819 -0.311 1
1 287 . 9 1 1 A 32 32 LYS CB C 32 31.698 32.116 -0.418 1
1 289 . 9 1 1 A 32 32 LYS N N 32 121.727 119.134 2.593 1
1 290 . 9 1 1 A 33 33 GLU H H 33 8.131 7.669 0.462 1
1 291 . 9 1 1 A 33 33 GLU HA H 33 4.090 4.091 -0.001 1
1 295 . 9 1 1 A 33 33 GLU CA C 33 59.018 58.803 0.215 1
1 296 . 9 1 1 A 33 33 GLU CB C 33 29.103 29.321 -0.218 1
1 298 . 9 1 1 A 33 33 GLU N N 33 121.845 120.771 1.074 1
1 299 . 9 1 1 A 34 34 LEU H H 34 7.318 7.326 -0.008 1
1 300 . 9 1 1 A 34 34 LEU HA H 34 4.385 4.339 0.046 1
1 310 . 9 1 1 A 34 34 LEU CA C 34 54.830 54.093 0.737 1
1 311 . 9 1 1 A 34 34 LEU CB C 34 42.243 41.542 0.701 1
1 315 . 9 1 1 A 34 34 LEU N N 34 117.966 114.400 3.566 1
1 316 . 9 1 1 A 35 35 GLY H H 35 7.931 8.460 -0.529 1
1 317 . 9 1 1 A 35 35 GLY HA2 H 35 3.793 3.922 -0.129 1
1 318 . 9 1 1 A 35 35 GLY HA3 H 35 4.251 3.922 0.329 1
1 319 . 9 1 1 A 35 35 GLY CA C 35 39.163 45.659 -6.496 1
1 320 . 9 1 1 A 35 35 GLY N N 35 107.160 110.483 -3.323 1
1 321 . 9 1 1 A 36 36 ARG H H 36 7.772 7.814 -0.042 1
1 322 . 9 1 1 A 36 36 ARG HA H 36 4.700 4.748 -0.048 1
1 329 . 9 1 1 A 36 36 ARG CA C 36 52.697 54.081 -1.384 1
1 330 . 9 1 1 A 36 36 ARG CB C 36 27.998 33.017 -5.019 1
1 333 . 9 1 1 A 36 36 ARG N N 36 119.227 119.483 -0.256 1
1 334 . 9 1 1 A 37 37 LYS H H 37 9.057 8.703 0.354 1
1 335 . 9 1 1 A 37 37 LYS HA H 37 4.220 4.375 -0.155 1
1 342 . 9 1 1 A 37 37 LYS CA C 37 58.398 57.564 0.834 1
1 343 . 9 1 1 A 37 37 LYS CB C 37 33.797 33.891 -0.094 1
1 346 . 9 1 1 A 37 37 LYS N N 37 119.506 123.248 -3.742 1
1 347 . 9 1 1 A 38 38 ARG H H 38 8.278 8.370 -0.092 1
1 348 . 9 1 1 A 38 38 ARG HA H 38 4.721 4.722 -0.001 1
1 354 . 9 1 1 A 38 38 ARG CA C 38 54.582 54.460 0.122 1
1 355 . 9 1 1 A 38 38 ARG CB C 38 32.642 33.452 -0.810 1
1 358 . 9 1 1 A 38 38 ARG N N 38 113.248 115.169 -1.921 1
1 359 . 9 1 1 A 39 39 GLY H H 39 9.055 8.553 0.502 1
1 360 . 9 1 1 A 39 39 GLY HA2 H 39 3.895 4.271 -0.376 1
1 361 . 9 1 1 A 39 39 GLY HA3 H 39 5.551 4.271 1.280 1
1 362 . 9 1 1 A 39 39 GLY CA C 39 46.770 44.400 2.370 1
1 363 . 9 1 1 A 39 39 GLY N N 39 107.276 106.682 0.594 1
1 364 . 9 1 1 A 40 40 GLN H H 40 9.453 9.266 0.187 1
1 365 . 9 1 1 A 40 40 GLN HA H 40 4.717 4.907 -0.190 1
1 370 . 9 1 1 A 40 40 GLN CA C 40 54.463 54.592 -0.129 1
1 371 . 9 1 1 A 40 40 GLN CB C 40 32.364 31.873 0.491 1
1 373 . 9 1 1 A 40 40 GLN N N 40 120.430 121.939 -1.509 1
1 374 . 9 1 1 A 41 41 CYS H H 41 9.208 8.244 0.964 1
1 375 . 9 1 1 A 41 41 CYS HA H 41 5.935 4.895 1.040 1
1 378 . 9 1 1 A 41 41 CYS CA C 41 59.537 54.636 4.901 1
1 379 . 9 1 1 A 41 41 CYS CB C 41 48.386 42.130 6.256 1
1 380 . 9 1 1 A 41 41 CYS N N 41 122.768 125.388 -2.620 1
1 381 . 9 1 1 A 42 42 GLU H H 42 9.529 9.444 0.085 1
1 382 . 9 1 1 A 42 42 GLU HA H 42 5.066 4.824 0.242 1
1 386 . 9 1 1 A 42 42 GLU CA C 42 54.869 55.307 -0.438 1
1 387 . 9 1 1 A 42 42 GLU CB C 42 35.149 33.245 1.904 1
1 389 . 9 1 1 A 42 42 GLU N N 42 122.626 125.487 -2.861 1
1 390 . 9 1 1 A 43 43 GLU H H 43 8.450 8.489 -0.039 1
1 391 . 9 1 1 A 43 43 GLU HA H 43 3.973 4.310 -0.337 1
1 396 . 9 1 1 A 43 43 GLU CA C 43 55.920 55.458 0.462 1
1 397 . 9 1 1 A 43 43 GLU CB C 43 29.068 28.353 0.715 1
1 399 . 9 1 1 A 43 43 GLU N N 43 122.712 121.931 0.781 1
1 400 . 9 1 1 A 44 44 LYS H H 44 8.051 7.761 0.290 1
1 401 . 9 1 1 A 44 44 LYS HA H 44 4.858 4.891 -0.033 1
1 408 . 9 1 1 A 44 44 LYS CA C 44 51.858 53.541 -1.683 1
1 409 . 9 1 1 A 44 44 LYS CB C 44 33.736 33.158 0.578 1
1 413 . 9 1 1 A 44 44 LYS N N 44 124.525 125.867 -1.342 1
1 414 . 9 1 1 A 45 45 PRO HA H 45 4.371 4.457 -0.086 1
1 421 . 9 1 1 A 45 45 PRO CA C 45 64.556 63.810 0.746 1
1 422 . 9 1 1 A 45 45 PRO CB C 45 31.781 31.965 -0.184 1
1 425 . 9 1 1 A 46 46 SER H H 46 8.132 8.549 -0.417 1
1 426 . 9 1 1 A 46 46 SER HA H 46 4.119 4.268 -0.149 1
1 429 . 9 1 1 A 46 46 SER CA C 46 60.190 60.612 -0.422 1
1 430 . 9 1 1 A 46 46 SER CB C 46 62.093 63.049 -0.956 1
1 431 . 9 1 1 A 46 46 SER N N 46 109.975 116.085 -6.110 1
1 432 . 9 1 1 A 47 47 ARG H H 47 7.381 7.947 -0.566 1
1 433 . 9 1 1 A 47 47 ARG HA H 47 4.448 4.419 0.029 1
1 438 . 9 1 1 A 47 47 ARG CA C 47 56.257 55.567 0.690 1
1 439 . 9 1 1 A 47 47 ARG CB C 47 32.699 30.815 1.884 1
1 442 . 9 1 1 A 47 47 ARG N N 47 120.043 115.030 5.013 1
1 443 . 9 1 1 A 48 48 CYS H H 48 7.864 7.229 0.635 1
1 444 . 9 1 1 A 48 48 CYS HA H 48 5.145 4.916 0.229 1
1 447 . 9 1 1 A 48 48 CYS CA C 48 52.322 53.561 -1.239 1
1 448 . 9 1 1 A 48 48 CYS CB C 48 41.255 44.114 -2.859 1
1 449 . 9 1 1 A 48 48 CYS N N 48 118.806 118.555 0.251 1
1 450 . 9 1 1 A 49 49 PRO HA H 49 4.475 4.501 -0.026 1
1 457 . 9 1 1 A 49 49 PRO CA C 49 64.149 63.864 0.285 1
1 458 . 9 1 1 A 49 49 PRO CB C 49 32.684 31.923 0.761 1
1 461 . 9 1 1 A 50 50 LEU H H 50 8.839 7.504 1.335 1
1 462 . 9 1 1 A 50 50 LEU HA H 50 4.436 4.589 -0.153 1
1 472 . 9 1 1 A 50 50 LEU CA C 50 54.154 53.999 0.155 1
1 473 . 9 1 1 A 50 50 LEU CB C 50 41.344 44.836 -3.492 1
1 477 . 9 1 1 A 50 50 LEU N N 50 122.400 121.486 0.914 1
1 478 . 9 1 1 A 51 51 SER H H 51 8.563 9.163 -0.600 1
1 479 . 9 1 1 A 51 51 SER HA H 51 4.042 4.159 -0.117 1
1 481 . 9 1 1 A 51 51 SER CA C 51 60.771 61.264 -0.493 1
1 482 . 9 1 1 A 51 51 SER CB C 51 62.818 63.055 -0.237 1
1 483 . 9 1 1 A 51 51 SER N N 51 120.571 120.004 0.567 1
1 484 . 9 1 1 A 52 52 LYS H H 52 8.067 7.920 0.147 1
1 485 . 9 1 1 A 52 52 LYS HA H 52 4.324 4.108 0.216 1
1 491 . 9 1 1 A 52 52 LYS CA C 52 56.796 58.381 -1.585 1
1 492 . 9 1 1 A 52 52 LYS CB C 52 31.870 32.380 -0.510 1
1 496 . 9 1 1 A 52 52 LYS N N 52 117.675 121.302 -3.627 1
1 497 . 9 1 1 A 53 53 LYS H H 53 7.619 7.626 -0.007 1
1 498 . 9 1 1 A 53 53 LYS HA H 53 4.426 4.300 0.126 1
1 504 . 9 1 1 A 53 53 LYS CA C 53 55.204 57.976 -2.772 1
1 505 . 9 1 1 A 53 53 LYS CB C 53 33.881 33.174 0.707 1
1 509 . 9 1 1 A 53 53 LYS N N 53 122.168 118.224 3.944 1
1 510 . 9 1 1 A 54 54 ALA H H 54 8.485 7.499 0.986 1
1 511 . 9 1 1 A 54 54 ALA HA H 54 4.410 3.976 0.434 1
1 515 . 9 1 1 A 54 54 ALA CA C 54 53.135 54.350 -1.215 1
1 516 . 9 1 1 A 54 54 ALA CB C 54 21.208 16.922 4.286 1
1 517 . 9 1 1 A 54 54 ALA N N 54 122.332 119.646 2.686 1
1 518 . 9 1 1 A 55 55 TRP H H 55 8.517 8.091 0.426 1
1 519 . 9 1 1 A 55 55 TRP HA H 55 4.676 4.777 -0.101 1
1 523 . 9 1 1 A 55 55 TRP CA C 55 57.259 57.683 -0.424 1
1 524 . 9 1 1 A 55 55 TRP CB C 55 30.373 29.898 0.475 1
1 525 . 9 1 1 A 55 55 TRP N N 55 117.762 119.886 -2.124 1
1 527 . 9 1 1 A 56 56 THR H H 56 9.389 9.069 0.320 1
1 528 . 9 1 1 A 56 56 THR HA H 56 5.201 5.055 0.146 1
1 533 . 9 1 1 A 56 56 THR CA C 56 60.940 59.973 0.967 1
1 534 . 9 1 1 A 56 56 THR CB C 56 70.961 71.653 -0.692 1
1 536 . 9 1 1 A 56 56 THR N N 56 117.434 116.270 1.164 1
1 537 . 9 1 1 A 57 57 CYS H H 57 8.665 8.608 0.057 1
1 538 . 9 1 1 A 57 57 CYS HA H 57 4.827 5.011 -0.184 1
1 541 . 9 1 1 A 57 57 CYS CA C 57 56.272 54.931 1.341 1
1 542 . 9 1 1 A 57 57 CYS CB C 57 37.251 43.282 -6.031 1
1 543 . 9 1 1 A 57 57 CYS N N 57 126.085 125.171 0.914 1
1 544 . 9 1 1 A 58 58 ILE H H 58 9.150 9.189 -0.039 1
1 545 . 9 1 1 A 58 58 ILE HA H 58 4.297 4.543 -0.246 1
1 555 . 9 1 1 A 58 58 ILE CA C 58 58.322 60.245 -1.923 1
1 556 . 9 1 1 A 58 58 ILE CB C 58 37.652 38.542 -0.890 1
1 560 . 9 1 1 A 58 58 ILE N N 58 134.435 126.689 7.746 1
1 561 . 9 1 1 A 59 59 CYS H H 59 8.204 8.438 -0.234 1
1 562 . 9 1 1 A 59 59 CYS HA H 59 5.698 4.885 0.813 1
1 565 . 9 1 1 A 59 59 CYS CA C 59 51.508 55.689 -4.181 1
1 566 . 9 1 1 A 59 59 CYS CB C 59 36.523 42.464 -5.941 1
1 567 . 9 1 1 A 59 59 CYS N N 59 121.180 125.198 -4.018 1
1 8 . 10 1 1 A 2 2 ILE H H 2 8.299 8.637 -0.338 1
1 9 . 10 1 1 A 2 2 ILE HA H 2 4.139 4.850 -0.711 1
1 19 . 10 1 1 A 2 2 ILE CA C 2 61.463 59.595 1.868 1
1 20 . 10 1 1 A 2 2 ILE CB C 2 38.545 41.242 -2.697 1
1 24 . 10 1 1 A 2 2 ILE N N 2 121.433 120.381 1.052 1
1 25 . 10 1 1 A 3 3 VAL H H 3 8.245 8.535 -0.290 1
1 26 . 10 1 1 A 3 3 VAL HA H 3 4.138 4.132 0.006 1
1 34 . 10 1 1 A 3 3 VAL CA C 3 61.813 62.636 -0.823 1
1 35 . 10 1 1 A 3 3 VAL CB C 3 32.887 32.544 0.343 1
1 38 . 10 1 1 A 3 3 VAL N N 3 123.973 127.419 -3.446 1
1 39 . 10 1 1 A 4 4 ASP H H 4 8.320 9.064 -0.744 1
1 40 . 10 1 1 A 4 4 ASP HA H 4 4.499 4.664 -0.165 1
1 43 . 10 1 1 A 4 4 ASP CA C 4 53.912 53.818 0.094 1
1 44 . 10 1 1 A 4 4 ASP CB C 4 41.523 40.380 1.143 1
1 45 . 10 1 1 A 4 4 ASP N N 4 123.308 126.128 -2.820 1
1 46 . 10 1 1 A 5 5 CYS H H 5 7.560 8.015 -0.455 1
1 47 . 10 1 1 A 5 5 CYS HA H 5 5.355 4.504 0.851 1
1 50 . 10 1 1 A 5 5 CYS CA C 5 54.544 56.776 -2.232 1
1 51 . 10 1 1 A 5 5 CYS CB C 5 44.815 42.248 2.567 1
1 52 . 10 1 1 A 5 5 CYS N N 5 121.272 116.051 5.221 1
1 53 . 10 1 1 A 6 6 TRP H H 6 9.768 8.548 1.220 1
1 54 . 10 1 1 A 6 6 TRP HA H 6 4.727 4.817 -0.090 1
1 58 . 10 1 1 A 6 6 TRP CB C 6 34.880 30.788 4.092 1
1 59 . 10 1 1 A 6 6 TRP N N 6 120.939 122.805 -1.866 1
1 61 . 10 1 1 A 7 7 GLU H H 7 10.518 7.863 2.655 1
1 62 . 10 1 1 A 7 7 GLU HA H 7 4.872 4.579 0.293 1
1 66 . 10 1 1 A 7 7 GLU CA C 7 59.493 57.878 1.615 1
1 67 . 10 1 1 A 7 7 GLU CB C 7 31.264 31.657 -0.393 1
1 69 . 10 1 1 A 7 7 GLU N N 7 119.048 118.028 1.020 1
1 70 . 10 1 1 A 8 8 THR H H 8 7.112 7.634 -0.522 1
1 71 . 10 1 1 A 8 8 THR HA H 8 4.509 4.659 -0.150 1
1 76 . 10 1 1 A 8 8 THR CA C 8 57.991 59.830 -1.839 1
1 77 . 10 1 1 A 8 8 THR CB C 8 73.377 71.905 1.472 1
1 79 . 10 1 1 A 8 8 THR N N 8 103.295 109.487 -6.192 1
1 80 . 10 1 1 A 9 9 TRP H H 9 7.902 8.800 -0.898 1
1 81 . 10 1 1 A 9 9 TRP HA H 9 2.806 4.253 -1.447 1
1 85 . 10 1 1 A 9 9 TRP CA C 9 62.403 60.669 1.734 1
1 86 . 10 1 1 A 9 9 TRP CB C 9 26.876 29.904 -3.028 1
1 87 . 10 1 1 A 9 9 TRP N N 9 121.679 124.714 -3.035 1
1 89 . 10 1 1 A 10 10 SER H H 10 8.585 8.269 0.316 1
1 90 . 10 1 1 A 10 10 SER HA H 10 3.354 4.149 -0.795 1
1 93 . 10 1 1 A 10 10 SER CA C 10 61.924 62.051 -0.127 1
1 94 . 10 1 1 A 10 10 SER CB C 10 62.121 62.773 -0.652 1
1 95 . 10 1 1 A 10 10 SER N N 10 114.940 116.015 -1.075 1
1 96 . 10 1 1 A 11 11 ARG H H 11 7.619 7.713 -0.094 1
1 97 . 10 1 1 A 11 11 ARG HA H 11 3.797 4.146 -0.349 1
1 103 . 10 1 1 A 11 11 ARG CA C 11 58.216 58.072 0.144 1
1 104 . 10 1 1 A 11 11 ARG CB C 11 30.189 29.217 0.972 1
1 107 . 10 1 1 A 11 11 ARG N N 11 120.414 120.294 0.120 1
1 108 . 10 1 1 A 12 12 CYS H H 12 6.939 7.675 -0.736 1
1 109 . 10 1 1 A 12 12 CYS HA H 12 2.633 4.499 -1.866 1
1 112 . 10 1 1 A 12 12 CYS CA C 12 58.084 59.143 -1.059 1
1 113 . 10 1 1 A 12 12 CYS CB C 12 41.245 42.907 -1.662 1
1 114 . 10 1 1 A 12 12 CYS N N 12 114.990 118.127 -3.137 1
1 115 . 10 1 1 A 13 13 THR H H 13 7.600 8.080 -0.480 1
1 116 . 10 1 1 A 13 13 THR HA H 13 3.346 4.065 -0.719 1
1 121 . 10 1 1 A 13 13 THR CA C 13 66.553 66.175 0.378 1
1 122 . 10 1 1 A 13 13 THR CB C 13 68.908 68.723 0.185 1
1 124 . 10 1 1 A 13 13 THR N N 13 115.078 117.112 -2.034 1
1 125 . 10 1 1 A 14 14 LYS H H 14 7.138 7.547 -0.409 1
1 126 . 10 1 1 A 14 14 LYS HA H 14 4.141 4.625 -0.484 1
1 132 . 10 1 1 A 14 14 LYS CA C 14 56.515 55.057 1.458 1
1 133 . 10 1 1 A 14 14 LYS CB C 14 33.392 33.803 -0.411 1
1 137 . 10 1 1 A 14 14 LYS N N 14 119.549 118.826 0.723 1
1 138 . 10 1 1 A 15 15 TRP H H 15 7.747 7.411 0.336 1
1 139 . 10 1 1 A 15 15 TRP HA H 15 4.360 4.403 -0.043 1
1 143 . 10 1 1 A 15 15 TRP CA C 15 57.057 58.705 -1.648 1
1 144 . 10 1 1 A 15 15 TRP CB C 15 29.949 27.729 2.220 1
1 145 . 10 1 1 A 15 15 TRP N N 15 122.233 120.699 1.534 1
1 147 . 10 1 1 A 16 16 SER H H 16 7.845 8.883 -1.038 1
1 148 . 10 1 1 A 16 16 SER HA H 16 4.236 4.866 -0.630 1
1 151 . 10 1 1 A 16 16 SER CA C 16 57.866 58.164 -0.298 1
1 152 . 10 1 1 A 16 16 SER CB C 16 64.242 64.849 -0.607 1
1 153 . 10 1 1 A 16 16 SER N N 16 116.282 116.197 0.085 1
1 154 . 10 1 1 A 17 17 GLN H H 17 8.150 9.254 -1.104 1
1 155 . 10 1 1 A 17 17 GLN HA H 17 4.238 3.952 0.286 1
1 159 . 10 1 1 A 17 17 GLN CA C 17 55.929 57.632 -1.703 1
1 160 . 10 1 1 A 17 17 GLN CB C 17 29.663 28.105 1.558 1
1 162 . 10 1 1 A 17 17 GLN N N 17 122.525 126.648 -4.123 1
1 163 . 10 1 1 A 18 18 GLY H H 18 8.313 8.938 -0.625 1
1 164 . 10 1 1 A 18 18 GLY HA2 H 18 3.928 3.881 0.047 1
1 165 . 10 1 1 A 18 18 GLY N N 18 110.285 115.025 -4.740 1
1 166 . 10 1 1 A 19 19 GLY H H 19 8.241 8.155 0.086 1
1 167 . 10 1 1 A 19 19 GLY HA2 H 19 3.939 3.892 0.047 1
1 168 . 10 1 1 A 19 19 GLY N N 19 108.776 113.034 -4.258 1
1 169 . 10 1 1 A 20 20 THR H H 20 8.166 7.531 0.635 1
1 170 . 10 1 1 A 20 20 THR HA H 20 4.318 3.986 0.332 1
1 175 . 10 1 1 A 20 20 THR CA C 20 61.985 65.039 -3.054 1
1 176 . 10 1 1 A 20 20 THR CB C 20 69.591 68.415 1.176 1
1 178 . 10 1 1 A 20 20 THR N N 20 113.035 114.726 -1.691 1
1 179 . 10 1 1 A 21 21 GLY H H 21 8.423 8.837 -0.414 1
1 180 . 10 1 1 A 21 21 GLY HA2 H 21 3.836 3.963 -0.127 1
1 181 . 10 1 1 A 21 21 GLY HA3 H 21 4.047 3.963 0.084 1
1 182 . 10 1 1 A 21 21 GLY CA C 21 45.397 45.777 -0.380 1
1 183 . 10 1 1 A 21 21 GLY N N 21 111.299 115.251 -3.952 1
1 184 . 10 1 1 A 22 22 THR H H 22 7.915 8.146 -0.231 1
1 185 . 10 1 1 A 22 22 THR HA H 22 4.279 4.092 0.187 1
1 190 . 10 1 1 A 22 22 THR CA C 22 61.845 64.696 -2.851 1
1 191 . 10 1 1 A 22 22 THR CB C 22 69.755 69.374 0.381 1
1 193 . 10 1 1 A 22 22 THR N N 22 113.293 117.548 -4.255 1
1 194 . 10 1 1 A 23 23 LEU H H 23 8.132 7.548 0.584 1
1 195 . 10 1 1 A 23 23 LEU HA H 23 4.282 4.518 -0.236 1
1 205 . 10 1 1 A 23 23 LEU CA C 23 55.052 54.032 1.020 1
1 206 . 10 1 1 A 23 23 LEU CB C 23 42.511 41.687 0.824 1
1 210 . 10 1 1 A 23 23 LEU N N 23 124.055 119.140 4.915 1
1 211 . 10 1 1 A 24 24 TRP H H 24 8.011 7.778 0.233 1
1 212 . 10 1 1 A 24 24 TRP HA H 24 4.694 5.020 -0.326 1
1 216 . 10 1 1 A 24 24 TRP CA C 24 56.611 55.523 1.088 1
1 217 . 10 1 1 A 24 24 TRP CB C 24 30.203 29.014 1.189 1
1 218 . 10 1 1 A 24 24 TRP N N 24 122.196 124.312 -2.116 1
1 220 . 10 1 1 A 25 25 LYS H H 25 8.384 8.316 0.068 1
1 221 . 10 1 1 A 25 25 LYS HA H 25 4.415 4.425 -0.010 1
1 228 . 10 1 1 A 25 25 LYS CB C 25 34.608 32.913 1.695 1
1 232 . 10 1 1 A 25 25 LYS N N 25 122.979 128.218 -5.239 1
1 233 . 10 1 1 A 26 26 SER H H 26 8.703 8.159 0.544 1
1 234 . 10 1 1 A 26 26 SER HA H 26 4.689 4.251 0.438 1
1 237 . 10 1 1 A 26 26 SER CA C 26 60.110 59.765 0.345 1
1 238 . 10 1 1 A 26 26 SER CB C 26 64.419 62.418 2.001 1
1 239 . 10 1 1 A 26 26 SER N N 26 117.775 115.723 2.052 1
1 240 . 10 1 1 A 27 27 CYS H H 27 8.216 8.608 -0.392 1
1 241 . 10 1 1 A 27 27 CYS HA H 27 4.382 4.697 -0.315 1
1 244 . 10 1 1 A 27 27 CYS CA C 27 58.151 56.830 1.321 1
1 245 . 10 1 1 A 27 27 CYS CB C 27 36.051 44.348 -8.297 1
1 246 . 10 1 1 A 27 27 CYS N N 27 119.629 122.485 -2.856 1
1 247 . 10 1 1 A 28 28 ASN H H 28 8.640 8.239 0.401 1
1 248 . 10 1 1 A 28 28 ASN HA H 28 4.039 4.454 -0.415 1
1 251 . 10 1 1 A 28 28 ASN CA C 28 57.688 56.711 0.977 1
1 252 . 10 1 1 A 28 28 ASN CB C 28 39.578 38.815 0.763 1
1 253 . 10 1 1 A 28 28 ASN N N 28 117.431 120.080 -2.649 1
1 254 . 10 1 1 A 29 29 ASP H H 29 7.910 7.821 0.089 1
1 255 . 10 1 1 A 29 29 ASP HA H 29 4.290 4.341 -0.051 1
1 258 . 10 1 1 A 29 29 ASP CA C 29 57.649 57.074 0.575 1
1 259 . 10 1 1 A 29 29 ASP CB C 29 40.511 41.202 -0.691 1
1 260 . 10 1 1 A 29 29 ASP N N 29 117.680 119.371 -1.691 1
1 261 . 10 1 1 A 30 30 ARG H H 30 8.559 8.085 0.474 1
1 262 . 10 1 1 A 30 30 ARG HA H 30 3.792 3.966 -0.174 1
1 267 . 10 1 1 A 30 30 ARG CA C 30 59.243 59.098 0.145 1
1 268 . 10 1 1 A 30 30 ARG CB C 30 29.806 29.636 0.170 1
1 271 . 10 1 1 A 30 30 ARG N N 30 121.907 118.412 3.495 1
1 272 . 10 1 1 A 31 31 CYS H H 31 8.066 8.315 -0.249 1
1 273 . 10 1 1 A 31 31 CYS HA H 31 4.285 4.379 -0.094 1
1 276 . 10 1 1 A 31 31 CYS CA C 31 58.396 60.717 -2.321 1
1 277 . 10 1 1 A 31 31 CYS CB C 31 36.213 41.245 -5.032 1
1 278 . 10 1 1 A 31 31 CYS N N 31 117.122 117.433 -0.311 1
1 279 . 10 1 1 A 32 32 LYS H H 32 8.096 7.771 0.325 1
1 280 . 10 1 1 A 32 32 LYS HA H 32 4.402 3.995 0.407 1
1 286 . 10 1 1 A 32 32 LYS CA C 32 59.508 59.670 -0.162 1
1 287 . 10 1 1 A 32 32 LYS CB C 32 31.698 32.077 -0.379 1
1 289 . 10 1 1 A 32 32 LYS N N 32 121.727 120.478 1.249 1
1 290 . 10 1 1 A 33 33 GLU H H 33 8.131 7.571 0.560 1
1 291 . 10 1 1 A 33 33 GLU HA H 33 4.090 4.142 -0.052 1
1 295 . 10 1 1 A 33 33 GLU CA C 33 59.018 58.872 0.146 1
1 296 . 10 1 1 A 33 33 GLU CB C 33 29.103 29.572 -0.469 1
1 298 . 10 1 1 A 33 33 GLU N N 33 121.845 119.604 2.241 1
1 299 . 10 1 1 A 34 34 LEU H H 34 7.318 7.671 -0.353 1
1 300 . 10 1 1 A 34 34 LEU HA H 34 4.385 4.285 0.100 1
1 310 . 10 1 1 A 34 34 LEU CA C 34 54.830 55.028 -0.198 1
1 311 . 10 1 1 A 34 34 LEU CB C 34 42.243 42.284 -0.041 1
1 315 . 10 1 1 A 34 34 LEU N N 34 117.966 118.312 -0.346 1
1 316 . 10 1 1 A 35 35 GLY H H 35 7.931 7.936 -0.005 1
1 317 . 10 1 1 A 35 35 GLY HA2 H 35 3.793 3.884 -0.091 1
1 318 . 10 1 1 A 35 35 GLY HA3 H 35 4.251 3.884 0.367 1
1 319 . 10 1 1 A 35 35 GLY CA C 35 39.163 45.768 -6.605 1
1 320 . 10 1 1 A 35 35 GLY N N 35 107.160 107.282 -0.122 1
1 321 . 10 1 1 A 36 36 ARG H H 36 7.772 7.601 0.171 1
1 322 . 10 1 1 A 36 36 ARG HA H 36 4.700 4.645 0.055 1
1 329 . 10 1 1 A 36 36 ARG CA C 36 52.697 55.109 -2.412 1
1 330 . 10 1 1 A 36 36 ARG CB C 36 27.998 32.569 -4.571 1
1 333 . 10 1 1 A 36 36 ARG N N 36 119.227 119.601 -0.374 1
1 334 . 10 1 1 A 37 37 LYS H H 37 9.057 8.865 0.192 1
1 335 . 10 1 1 A 37 37 LYS HA H 37 4.220 4.364 -0.144 1
1 342 . 10 1 1 A 37 37 LYS CA C 37 58.398 58.177 0.221 1
1 343 . 10 1 1 A 37 37 LYS CB C 37 33.797 32.660 1.137 1
1 346 . 10 1 1 A 37 37 LYS N N 37 119.506 120.684 -1.178 1
1 347 . 10 1 1 A 38 38 ARG H H 38 8.278 8.161 0.117 1
1 348 . 10 1 1 A 38 38 ARG HA H 38 4.721 4.849 -0.128 1
1 354 . 10 1 1 A 38 38 ARG CA C 38 54.582 54.219 0.363 1
1 355 . 10 1 1 A 38 38 ARG CB C 38 32.642 33.512 -0.870 1
1 358 . 10 1 1 A 38 38 ARG N N 38 113.248 116.846 -3.598 1
1 359 . 10 1 1 A 39 39 GLY H H 39 9.055 8.570 0.485 1
1 360 . 10 1 1 A 39 39 GLY HA2 H 39 3.895 4.310 -0.415 1
1 361 . 10 1 1 A 39 39 GLY HA3 H 39 5.551 4.310 1.241 1
1 362 . 10 1 1 A 39 39 GLY CA C 39 46.770 45.401 1.369 1
1 363 . 10 1 1 A 39 39 GLY N N 39 107.276 107.540 -0.264 1
1 364 . 10 1 1 A 40 40 GLN H H 40 9.453 8.990 0.463 1
1 365 . 10 1 1 A 40 40 GLN HA H 40 4.717 4.811 -0.094 1
1 370 . 10 1 1 A 40 40 GLN CA C 40 54.463 54.186 0.277 1
1 371 . 10 1 1 A 40 40 GLN CB C 40 32.364 32.419 -0.055 1
1 373 . 10 1 1 A 40 40 GLN N N 40 120.430 120.685 -0.255 1
1 374 . 10 1 1 A 41 41 CYS H H 41 9.208 8.363 0.845 1
1 375 . 10 1 1 A 41 41 CYS HA H 41 5.935 4.738 1.197 1
1 378 . 10 1 1 A 41 41 CYS CA C 41 59.537 55.089 4.448 1
1 379 . 10 1 1 A 41 41 CYS CB C 41 48.386 41.431 6.955 1
1 380 . 10 1 1 A 41 41 CYS N N 41 122.768 122.491 0.277 1
1 381 . 10 1 1 A 42 42 GLU H H 42 9.529 9.359 0.170 1
1 382 . 10 1 1 A 42 42 GLU HA H 42 5.066 4.873 0.193 1
1 386 . 10 1 1 A 42 42 GLU CA C 42 54.869 54.402 0.467 1
1 387 . 10 1 1 A 42 42 GLU CB C 42 35.149 33.259 1.890 1
1 389 . 10 1 1 A 42 42 GLU N N 42 122.626 124.798 -2.172 1
1 390 . 10 1 1 A 43 43 GLU H H 43 8.450 8.284 0.166 1
1 391 . 10 1 1 A 43 43 GLU HA H 43 3.973 4.416 -0.443 1
1 396 . 10 1 1 A 43 43 GLU CA C 43 55.920 55.742 0.178 1
1 397 . 10 1 1 A 43 43 GLU CB C 43 29.068 27.875 1.193 1
1 399 . 10 1 1 A 43 43 GLU N N 43 122.712 121.847 0.865 1
1 400 . 10 1 1 A 44 44 LYS H H 44 8.051 7.182 0.869 1
1 401 . 10 1 1 A 44 44 LYS HA H 44 4.858 4.860 -0.002 1
1 408 . 10 1 1 A 44 44 LYS CA C 44 51.858 52.517 -0.659 1
1 409 . 10 1 1 A 44 44 LYS CB C 44 33.736 33.202 0.534 1
1 413 . 10 1 1 A 44 44 LYS N N 44 124.525 122.994 1.531 1
1 414 . 10 1 1 A 45 45 PRO HA H 45 4.371 4.444 -0.073 1
1 421 . 10 1 1 A 45 45 PRO CA C 45 64.556 64.303 0.253 1
1 422 . 10 1 1 A 45 45 PRO CB C 45 31.781 31.989 -0.208 1
1 425 . 10 1 1 A 46 46 SER H H 46 8.132 8.130 0.002 1
1 426 . 10 1 1 A 46 46 SER HA H 46 4.119 4.227 -0.108 1
1 429 . 10 1 1 A 46 46 SER CA C 46 60.190 60.879 -0.689 1
1 430 . 10 1 1 A 46 46 SER CB C 46 62.093 62.255 -0.162 1
1 431 . 10 1 1 A 46 46 SER N N 46 109.975 112.742 -2.767 1
1 432 . 10 1 1 A 47 47 ARG H H 47 7.381 7.549 -0.168 1
1 433 . 10 1 1 A 47 47 ARG HA H 47 4.448 4.426 0.022 1
1 438 . 10 1 1 A 47 47 ARG CA C 47 56.257 55.440 0.817 1
1 439 . 10 1 1 A 47 47 ARG CB C 47 32.699 30.107 2.592 1
1 442 . 10 1 1 A 47 47 ARG N N 47 120.043 117.893 2.150 1
1 443 . 10 1 1 A 48 48 CYS H H 48 7.864 7.303 0.561 1
1 444 . 10 1 1 A 48 48 CYS HA H 48 5.145 4.940 0.205 1
1 447 . 10 1 1 A 48 48 CYS CA C 48 52.322 53.117 -0.795 1
1 448 . 10 1 1 A 48 48 CYS CB C 48 41.255 45.029 -3.774 1
1 449 . 10 1 1 A 48 48 CYS N N 48 118.806 118.554 0.252 1
1 450 . 10 1 1 A 49 49 PRO HA H 49 4.475 4.404 0.071 1
1 457 . 10 1 1 A 49 49 PRO CA C 49 64.149 65.420 -1.271 1
1 458 . 10 1 1 A 49 49 PRO CB C 49 32.684 31.796 0.888 1
1 461 . 10 1 1 A 50 50 LEU H H 50 8.839 7.688 1.151 1
1 462 . 10 1 1 A 50 50 LEU HA H 50 4.436 4.455 -0.019 1
1 472 . 10 1 1 A 50 50 LEU CA C 50 54.154 54.390 -0.236 1
1 473 . 10 1 1 A 50 50 LEU CB C 50 41.344 40.853 0.491 1
1 477 . 10 1 1 A 50 50 LEU N N 50 122.400 119.095 3.305 1
1 478 . 10 1 1 A 51 51 SER H H 51 8.563 8.977 -0.414 1
1 479 . 10 1 1 A 51 51 SER HA H 51 4.042 4.153 -0.111 1
1 481 . 10 1 1 A 51 51 SER CA C 51 60.771 61.589 -0.818 1
1 482 . 10 1 1 A 51 51 SER CB C 51 62.818 63.104 -0.286 1
1 483 . 10 1 1 A 51 51 SER N N 51 120.571 119.766 0.805 1
1 484 . 10 1 1 A 52 52 LYS H H 52 8.067 7.780 0.287 1
1 485 . 10 1 1 A 52 52 LYS HA H 52 4.324 4.360 -0.036 1
1 491 . 10 1 1 A 52 52 LYS CA C 52 56.796 56.671 0.125 1
1 492 . 10 1 1 A 52 52 LYS CB C 52 31.870 32.569 -0.699 1
1 496 . 10 1 1 A 52 52 LYS N N 52 117.675 117.273 0.402 1
1 497 . 10 1 1 A 53 53 LYS H H 53 7.619 7.793 -0.174 1
1 498 . 10 1 1 A 53 53 LYS HA H 53 4.426 4.630 -0.204 1
1 504 . 10 1 1 A 53 53 LYS CA C 53 55.204 55.100 0.104 1
1 505 . 10 1 1 A 53 53 LYS CB C 53 33.881 33.041 0.840 1
1 509 . 10 1 1 A 53 53 LYS N N 53 122.168 117.952 4.216 1
1 510 . 10 1 1 A 54 54 ALA H H 54 8.485 7.473 1.012 1
1 511 . 10 1 1 A 54 54 ALA HA H 54 4.410 4.372 0.038 1
1 515 . 10 1 1 A 54 54 ALA CA C 54 53.135 51.901 1.234 1
1 516 . 10 1 1 A 54 54 ALA CB C 54 21.208 17.454 3.754 1
1 517 . 10 1 1 A 54 54 ALA N N 54 122.332 123.613 -1.281 1
1 518 . 10 1 1 A 55 55 TRP H H 55 8.517 8.396 0.121 1
1 519 . 10 1 1 A 55 55 TRP HA H 55 4.676 5.110 -0.434 1
1 523 . 10 1 1 A 55 55 TRP CA C 55 57.259 56.763 0.496 1
1 524 . 10 1 1 A 55 55 TRP CB C 55 30.373 31.706 -1.333 1
1 525 . 10 1 1 A 55 55 TRP N N 55 117.762 122.368 -4.606 1
1 527 . 10 1 1 A 56 56 THR H H 56 9.389 8.845 0.544 1
1 528 . 10 1 1 A 56 56 THR HA H 56 5.201 4.956 0.245 1
1 533 . 10 1 1 A 56 56 THR CA C 56 60.940 59.702 1.238 1
1 534 . 10 1 1 A 56 56 THR CB C 56 70.961 71.382 -0.421 1
1 536 . 10 1 1 A 56 56 THR N N 56 117.434 119.058 -1.624 1
1 537 . 10 1 1 A 57 57 CYS H H 57 8.665 8.530 0.135 1
1 538 . 10 1 1 A 57 57 CYS HA H 57 4.827 4.929 -0.102 1
1 541 . 10 1 1 A 57 57 CYS CA C 57 56.272 55.566 0.706 1
1 542 . 10 1 1 A 57 57 CYS CB C 57 37.251 42.827 -5.576 1
1 543 . 10 1 1 A 57 57 CYS N N 57 126.085 123.635 2.450 1
1 544 . 10 1 1 A 58 58 ILE H H 58 9.150 9.109 0.041 1
1 545 . 10 1 1 A 58 58 ILE HA H 58 4.297 4.472 -0.175 1
1 555 . 10 1 1 A 58 58 ILE CA C 58 58.322 60.020 -1.698 1
1 556 . 10 1 1 A 58 58 ILE CB C 58 37.652 38.123 -0.471 1
1 560 . 10 1 1 A 58 58 ILE N N 58 134.435 125.804 8.631 1
1 561 . 10 1 1 A 59 59 CYS H H 59 8.204 8.401 -0.197 1
1 562 . 10 1 1 A 59 59 CYS HA H 59 5.698 4.610 1.088 1
1 565 . 10 1 1 A 59 59 CYS CA C 59 51.508 56.474 -4.966 1
1 566 . 10 1 1 A 59 59 CYS CB C 59 36.523 41.751 -5.228 1
1 567 . 10 1 1 A 59 59 CYS N N 59 121.180 125.090 -3.910 1
1 8 . 11 1 1 A 2 2 ILE H H 2 8.299 7.838 0.461 1
1 9 . 11 1 1 A 2 2 ILE HA H 2 4.139 4.257 -0.118 1
1 19 . 11 1 1 A 2 2 ILE CA C 2 61.463 60.420 1.043 1
1 20 . 11 1 1 A 2 2 ILE CB C 2 38.545 36.060 2.485 1
1 24 . 11 1 1 A 2 2 ILE N N 2 121.433 117.468 3.965 1
1 25 . 11 1 1 A 3 3 VAL H H 3 8.245 7.852 0.393 1
1 26 . 11 1 1 A 3 3 VAL HA H 3 4.138 3.710 0.428 1
1 34 . 11 1 1 A 3 3 VAL CA C 3 61.813 63.828 -2.015 1
1 35 . 11 1 1 A 3 3 VAL CB C 3 32.887 29.345 3.542 1
1 38 . 11 1 1 A 3 3 VAL N N 3 123.973 117.774 6.199 1
1 39 . 11 1 1 A 4 4 ASP H H 4 8.320 8.016 0.304 1
1 40 . 11 1 1 A 4 4 ASP HA H 4 4.499 4.615 -0.116 1
1 43 . 11 1 1 A 4 4 ASP CA C 4 53.912 53.846 0.066 1
1 44 . 11 1 1 A 4 4 ASP CB C 4 41.523 39.951 1.572 1
1 45 . 11 1 1 A 4 4 ASP N N 4 123.308 120.543 2.765 1
1 46 . 11 1 1 A 5 5 CYS H H 5 7.560 8.233 -0.673 1
1 47 . 11 1 1 A 5 5 CYS HA H 5 5.355 5.087 0.268 1
1 50 . 11 1 1 A 5 5 CYS CA C 5 54.544 55.624 -1.080 1
1 51 . 11 1 1 A 5 5 CYS CB C 5 44.815 43.755 1.060 1
1 52 . 11 1 1 A 5 5 CYS N N 5 121.272 123.230 -1.958 1
1 53 . 11 1 1 A 6 6 TRP H H 6 9.768 8.807 0.961 1
1 54 . 11 1 1 A 6 6 TRP HA H 6 4.727 4.730 -0.003 1
1 58 . 11 1 1 A 6 6 TRP CB C 6 34.880 31.069 3.811 1
1 59 . 11 1 1 A 6 6 TRP N N 6 120.939 126.078 -5.139 1
1 61 . 11 1 1 A 7 7 GLU H H 7 10.518 7.841 2.677 1
1 62 . 11 1 1 A 7 7 GLU HA H 7 4.872 4.526 0.346 1
1 66 . 11 1 1 A 7 7 GLU CA C 7 59.493 57.347 2.146 1
1 67 . 11 1 1 A 7 7 GLU CB C 7 31.264 30.549 0.715 1
1 69 . 11 1 1 A 7 7 GLU N N 7 119.048 122.252 -3.204 1
1 70 . 11 1 1 A 8 8 THR H H 8 7.112 7.986 -0.874 1
1 71 . 11 1 1 A 8 8 THR HA H 8 4.509 4.560 -0.051 1
1 76 . 11 1 1 A 8 8 THR CA C 8 57.991 61.938 -3.947 1
1 77 . 11 1 1 A 8 8 THR CB C 8 73.377 69.698 3.679 1
1 79 . 11 1 1 A 8 8 THR N N 8 103.295 110.639 -7.344 1
1 80 . 11 1 1 A 9 9 TRP H H 9 7.902 7.885 0.017 1
1 81 . 11 1 1 A 9 9 TRP HA H 9 2.806 4.734 -1.928 1
1 85 . 11 1 1 A 9 9 TRP CA C 9 62.403 56.179 6.224 1
1 86 . 11 1 1 A 9 9 TRP CB C 9 26.876 28.615 -1.739 1
1 87 . 11 1 1 A 9 9 TRP N N 9 121.679 124.285 -2.606 1
1 89 . 11 1 1 A 10 10 SER H H 10 8.585 7.761 0.824 1
1 90 . 11 1 1 A 10 10 SER HA H 10 3.354 4.166 -0.812 1
1 93 . 11 1 1 A 10 10 SER CA C 10 61.924 58.908 3.016 1
1 94 . 11 1 1 A 10 10 SER CB C 10 62.121 61.734 0.387 1
1 95 . 11 1 1 A 10 10 SER N N 10 114.940 110.824 4.116 1
1 96 . 11 1 1 A 11 11 ARG H H 11 7.619 7.975 -0.356 1
1 97 . 11 1 1 A 11 11 ARG HA H 11 3.797 3.905 -0.108 1
1 103 . 11 1 1 A 11 11 ARG CA C 11 58.216 58.964 -0.748 1
1 104 . 11 1 1 A 11 11 ARG CB C 11 30.189 29.774 0.415 1
1 107 . 11 1 1 A 11 11 ARG N N 11 120.414 121.589 -1.175 1
1 108 . 11 1 1 A 12 12 CYS H H 12 6.939 8.500 -1.561 1
1 109 . 11 1 1 A 12 12 CYS HA H 12 2.633 4.497 -1.864 1
1 112 . 11 1 1 A 12 12 CYS CA C 12 58.084 59.340 -1.256 1
1 113 . 11 1 1 A 12 12 CYS CB C 12 41.245 42.819 -1.574 1
1 114 . 11 1 1 A 12 12 CYS N N 12 114.990 117.909 -2.919 1
1 115 . 11 1 1 A 13 13 THR H H 13 7.600 8.287 -0.687 1
1 116 . 11 1 1 A 13 13 THR HA H 13 3.346 4.020 -0.674 1
1 121 . 11 1 1 A 13 13 THR CA C 13 66.553 65.947 0.606 1
1 122 . 11 1 1 A 13 13 THR CB C 13 68.908 68.634 0.274 1
1 124 . 11 1 1 A 13 13 THR N N 13 115.078 116.970 -1.892 1
1 125 . 11 1 1 A 14 14 LYS H H 14 7.138 7.543 -0.405 1
1 126 . 11 1 1 A 14 14 LYS HA H 14 4.141 4.408 -0.267 1
1 132 . 11 1 1 A 14 14 LYS CA C 14 56.515 57.497 -0.982 1
1 133 . 11 1 1 A 14 14 LYS CB C 14 33.392 33.253 0.139 1
1 137 . 11 1 1 A 14 14 LYS N N 14 119.549 118.590 0.959 1
1 138 . 11 1 1 A 15 15 TRP H H 15 7.747 7.732 0.015 1
1 139 . 11 1 1 A 15 15 TRP HA H 15 4.360 5.023 -0.663 1
1 143 . 11 1 1 A 15 15 TRP CA C 15 57.057 56.261 0.796 1
1 144 . 11 1 1 A 15 15 TRP CB C 15 29.949 31.196 -1.247 1
1 145 . 11 1 1 A 15 15 TRP N N 15 122.233 118.474 3.759 1
1 147 . 11 1 1 A 16 16 SER H H 16 7.845 8.976 -1.131 1
1 148 . 11 1 1 A 16 16 SER HA H 16 4.236 4.709 -0.473 1
1 151 . 11 1 1 A 16 16 SER CA C 16 57.866 57.789 0.077 1
1 152 . 11 1 1 A 16 16 SER CB C 16 64.242 64.532 -0.290 1
1 153 . 11 1 1 A 16 16 SER N N 16 116.282 117.709 -1.427 1
1 154 . 11 1 1 A 17 17 GLN H H 17 8.150 7.705 0.445 1
1 155 . 11 1 1 A 17 17 GLN HA H 17 4.238 4.471 -0.233 1
1 159 . 11 1 1 A 17 17 GLN CA C 17 55.929 54.804 1.125 1
1 160 . 11 1 1 A 17 17 GLN CB C 17 29.663 30.563 -0.900 1
1 162 . 11 1 1 A 17 17 GLN N N 17 122.525 117.896 4.629 1
1 163 . 11 1 1 A 18 18 GLY H H 18 8.313 8.696 -0.383 1
1 164 . 11 1 1 A 18 18 GLY HA2 H 18 3.928 3.912 0.016 1
1 165 . 11 1 1 A 18 18 GLY N N 18 110.285 107.093 3.192 1
1 166 . 11 1 1 A 19 19 GLY H H 19 8.241 8.410 -0.169 1
1 167 . 11 1 1 A 19 19 GLY HA2 H 19 3.939 3.974 -0.035 1
1 168 . 11 1 1 A 19 19 GLY N N 19 108.776 115.360 -6.584 1
1 169 . 11 1 1 A 20 20 THR H H 20 8.166 8.425 -0.259 1
1 170 . 11 1 1 A 20 20 THR HA H 20 4.318 4.492 -0.174 1
1 175 . 11 1 1 A 20 20 THR CA C 20 61.985 63.498 -1.513 1
1 176 . 11 1 1 A 20 20 THR CB C 20 69.591 70.638 -1.047 1
1 178 . 11 1 1 A 20 20 THR N N 20 113.035 120.408 -7.373 1
1 179 . 11 1 1 A 21 21 GLY H H 21 8.423 8.126 0.297 1
1 180 . 11 1 1 A 21 21 GLY HA2 H 21 3.836 4.002 -0.166 1
1 181 . 11 1 1 A 21 21 GLY HA3 H 21 4.047 4.002 0.045 1
1 182 . 11 1 1 A 21 21 GLY CA C 21 45.397 45.723 -0.326 1
1 183 . 11 1 1 A 21 21 GLY N N 21 111.299 109.571 1.728 1
1 184 . 11 1 1 A 22 22 THR H H 22 7.915 8.462 -0.547 1
1 185 . 11 1 1 A 22 22 THR HA H 22 4.279 3.909 0.370 1
1 190 . 11 1 1 A 22 22 THR CA C 22 61.845 63.109 -1.264 1
1 191 . 11 1 1 A 22 22 THR CB C 22 69.755 67.282 2.473 1
1 193 . 11 1 1 A 22 22 THR N N 22 113.293 108.395 4.898 1
1 194 . 11 1 1 A 23 23 LEU H H 23 8.132 8.050 0.082 1
1 195 . 11 1 1 A 23 23 LEU HA H 23 4.282 4.511 -0.229 1
1 205 . 11 1 1 A 23 23 LEU CA C 23 55.052 54.602 0.450 1
1 206 . 11 1 1 A 23 23 LEU CB C 23 42.511 42.112 0.399 1
1 210 . 11 1 1 A 23 23 LEU N N 23 124.055 120.353 3.702 1
1 211 . 11 1 1 A 24 24 TRP H H 24 8.011 8.204 -0.193 1
1 212 . 11 1 1 A 24 24 TRP HA H 24 4.694 4.762 -0.068 1
1 216 . 11 1 1 A 24 24 TRP CA C 24 56.611 58.369 -1.758 1
1 217 . 11 1 1 A 24 24 TRP CB C 24 30.203 30.294 -0.091 1
1 218 . 11 1 1 A 24 24 TRP N N 24 122.196 125.377 -3.181 1
1 220 . 11 1 1 A 25 25 LYS H H 25 8.384 7.581 0.803 1
1 221 . 11 1 1 A 25 25 LYS HA H 25 4.415 3.987 0.428 1
1 228 . 11 1 1 A 25 25 LYS CB C 25 34.608 30.251 4.357 1
1 232 . 11 1 1 A 25 25 LYS N N 25 122.979 116.239 6.740 1
1 233 . 11 1 1 A 26 26 SER H H 26 8.703 8.791 -0.088 1
1 234 . 11 1 1 A 26 26 SER HA H 26 4.689 4.476 0.213 1
1 237 . 11 1 1 A 26 26 SER CA C 26 60.110 58.385 1.725 1
1 238 . 11 1 1 A 26 26 SER CB C 26 64.419 60.842 3.577 1
1 239 . 11 1 1 A 26 26 SER N N 26 117.775 113.495 4.280 1
1 240 . 11 1 1 A 27 27 CYS H H 27 8.216 8.772 -0.556 1
1 241 . 11 1 1 A 27 27 CYS HA H 27 4.382 4.173 0.209 1
1 244 . 11 1 1 A 27 27 CYS CA C 27 58.151 59.137 -0.986 1
1 245 . 11 1 1 A 27 27 CYS CB C 27 36.051 42.146 -6.095 1
1 246 . 11 1 1 A 27 27 CYS N N 27 119.629 121.528 -1.899 1
1 247 . 11 1 1 A 28 28 ASN H H 28 8.640 8.208 0.432 1
1 248 . 11 1 1 A 28 28 ASN HA H 28 4.039 4.441 -0.402 1
1 251 . 11 1 1 A 28 28 ASN CA C 28 57.688 56.772 0.916 1
1 252 . 11 1 1 A 28 28 ASN CB C 28 39.578 39.507 0.071 1
1 253 . 11 1 1 A 28 28 ASN N N 28 117.431 120.024 -2.593 1
1 254 . 11 1 1 A 29 29 ASP H H 29 7.910 7.902 0.008 1
1 255 . 11 1 1 A 29 29 ASP HA H 29 4.290 4.323 -0.033 1
1 258 . 11 1 1 A 29 29 ASP CA C 29 57.649 57.327 0.322 1
1 259 . 11 1 1 A 29 29 ASP CB C 29 40.511 41.207 -0.696 1
1 260 . 11 1 1 A 29 29 ASP N N 29 117.680 119.462 -1.782 1
1 261 . 11 1 1 A 30 30 ARG H H 30 8.559 8.029 0.530 1
1 262 . 11 1 1 A 30 30 ARG HA H 30 3.792 4.051 -0.259 1
1 267 . 11 1 1 A 30 30 ARG CA C 30 59.243 59.557 -0.314 1
1 268 . 11 1 1 A 30 30 ARG CB C 30 29.806 29.717 0.089 1
1 271 . 11 1 1 A 30 30 ARG N N 30 121.907 118.001 3.906 1
1 272 . 11 1 1 A 31 31 CYS H H 31 8.066 8.394 -0.328 1
1 273 . 11 1 1 A 31 31 CYS HA H 31 4.285 4.237 0.048 1
1 276 . 11 1 1 A 31 31 CYS CA C 31 58.396 61.379 -2.983 1
1 277 . 11 1 1 A 31 31 CYS CB C 31 36.213 42.018 -5.805 1
1 278 . 11 1 1 A 31 31 CYS N N 31 117.122 118.870 -1.748 1
1 279 . 11 1 1 A 32 32 LYS H H 32 8.096 7.758 0.338 1
1 280 . 11 1 1 A 32 32 LYS HA H 32 4.402 3.992 0.410 1
1 286 . 11 1 1 A 32 32 LYS CA C 32 59.508 59.734 -0.226 1
1 287 . 11 1 1 A 32 32 LYS CB C 32 31.698 32.078 -0.380 1
1 289 . 11 1 1 A 32 32 LYS N N 32 121.727 119.851 1.876 1
1 290 . 11 1 1 A 33 33 GLU H H 33 8.131 7.785 0.346 1
1 291 . 11 1 1 A 33 33 GLU HA H 33 4.090 4.037 0.053 1
1 295 . 11 1 1 A 33 33 GLU CA C 33 59.018 59.139 -0.121 1
1 296 . 11 1 1 A 33 33 GLU CB C 33 29.103 29.492 -0.389 1
1 298 . 11 1 1 A 33 33 GLU N N 33 121.845 120.650 1.195 1
1 299 . 11 1 1 A 34 34 LEU H H 34 7.318 7.439 -0.121 1
1 300 . 11 1 1 A 34 34 LEU HA H 34 4.385 4.479 -0.094 1
1 310 . 11 1 1 A 34 34 LEU CA C 34 54.830 55.438 -0.608 1
1 311 . 11 1 1 A 34 34 LEU CB C 34 42.243 42.643 -0.400 1
1 315 . 11 1 1 A 34 34 LEU N N 34 117.966 118.440 -0.474 1
1 316 . 11 1 1 A 35 35 GLY H H 35 7.931 7.973 -0.042 1
1 317 . 11 1 1 A 35 35 GLY HA2 H 35 3.793 4.006 -0.213 1
1 318 . 11 1 1 A 35 35 GLY HA3 H 35 4.251 4.006 0.245 1
1 319 . 11 1 1 A 35 35 GLY CA C 35 39.163 46.045 -6.882 1
1 320 . 11 1 1 A 35 35 GLY N N 35 107.160 108.253 -1.093 1
1 321 . 11 1 1 A 36 36 ARG H H 36 7.772 7.956 -0.184 1
1 322 . 11 1 1 A 36 36 ARG HA H 36 4.700 4.732 -0.032 1
1 329 . 11 1 1 A 36 36 ARG CA C 36 52.697 54.057 -1.360 1
1 330 . 11 1 1 A 36 36 ARG CB C 36 27.998 32.843 -4.845 1
1 333 . 11 1 1 A 36 36 ARG N N 36 119.227 119.313 -0.086 1
1 334 . 11 1 1 A 37 37 LYS H H 37 9.057 8.861 0.196 1
1 335 . 11 1 1 A 37 37 LYS HA H 37 4.220 4.289 -0.069 1
1 342 . 11 1 1 A 37 37 LYS CA C 37 58.398 58.233 0.165 1
1 343 . 11 1 1 A 37 37 LYS CB C 37 33.797 33.143 0.654 1
1 346 . 11 1 1 A 37 37 LYS N N 37 119.506 122.250 -2.744 1
1 347 . 11 1 1 A 38 38 ARG H H 38 8.278 7.803 0.475 1
1 348 . 11 1 1 A 38 38 ARG HA H 38 4.721 4.698 0.023 1
1 354 . 11 1 1 A 38 38 ARG CA C 38 54.582 54.572 0.010 1
1 355 . 11 1 1 A 38 38 ARG CB C 38 32.642 33.500 -0.858 1
1 358 . 11 1 1 A 38 38 ARG N N 38 113.248 113.897 -0.649 1
1 359 . 11 1 1 A 39 39 GLY H H 39 9.055 8.479 0.576 1
1 360 . 11 1 1 A 39 39 GLY HA2 H 39 3.895 4.537 -0.642 1
1 361 . 11 1 1 A 39 39 GLY HA3 H 39 5.551 4.537 1.014 1
1 362 . 11 1 1 A 39 39 GLY CA C 39 46.770 44.586 2.184 1
1 363 . 11 1 1 A 39 39 GLY N N 39 107.276 106.434 0.842 1
1 364 . 11 1 1 A 40 40 GLN H H 40 9.453 8.748 0.705 1
1 365 . 11 1 1 A 40 40 GLN HA H 40 4.717 4.841 -0.124 1
1 370 . 11 1 1 A 40 40 GLN CA C 40 54.463 54.293 0.170 1
1 371 . 11 1 1 A 40 40 GLN CB C 40 32.364 31.263 1.101 1
1 373 . 11 1 1 A 40 40 GLN N N 40 120.430 120.489 -0.059 1
1 374 . 11 1 1 A 41 41 CYS H H 41 9.208 8.499 0.709 1
1 375 . 11 1 1 A 41 41 CYS HA H 41 5.935 4.755 1.180 1
1 378 . 11 1 1 A 41 41 CYS CA C 41 59.537 55.269 4.268 1
1 379 . 11 1 1 A 41 41 CYS CB C 41 48.386 42.086 6.300 1
1 380 . 11 1 1 A 41 41 CYS N N 41 122.768 122.922 -0.154 1
1 381 . 11 1 1 A 42 42 GLU H H 42 9.529 9.543 -0.014 1
1 382 . 11 1 1 A 42 42 GLU HA H 42 5.066 4.831 0.235 1
1 386 . 11 1 1 A 42 42 GLU CA C 42 54.869 54.836 0.033 1
1 387 . 11 1 1 A 42 42 GLU CB C 42 35.149 32.862 2.287 1
1 389 . 11 1 1 A 42 42 GLU N N 42 122.626 125.536 -2.910 1
1 390 . 11 1 1 A 43 43 GLU H H 43 8.450 8.720 -0.270 1
1 391 . 11 1 1 A 43 43 GLU HA H 43 3.973 4.278 -0.305 1
1 396 . 11 1 1 A 43 43 GLU CA C 43 55.920 55.693 0.227 1
1 397 . 11 1 1 A 43 43 GLU CB C 43 29.068 28.754 0.314 1
1 399 . 11 1 1 A 43 43 GLU N N 43 122.712 123.484 -0.772 1
1 400 . 11 1 1 A 44 44 LYS H H 44 8.051 8.026 0.025 1
1 401 . 11 1 1 A 44 44 LYS HA H 44 4.858 4.909 -0.051 1
1 408 . 11 1 1 A 44 44 LYS CA C 44 51.858 53.426 -1.568 1
1 409 . 11 1 1 A 44 44 LYS CB C 44 33.736 33.197 0.539 1
1 413 . 11 1 1 A 44 44 LYS N N 44 124.525 125.704 -1.179 1
1 414 . 11 1 1 A 45 45 PRO HA H 45 4.371 4.501 -0.130 1
1 421 . 11 1 1 A 45 45 PRO CA C 45 64.556 63.960 0.596 1
1 422 . 11 1 1 A 45 45 PRO CB C 45 31.781 31.874 -0.093 1
1 425 . 11 1 1 A 46 46 SER H H 46 8.132 8.192 -0.060 1
1 426 . 11 1 1 A 46 46 SER HA H 46 4.119 4.308 -0.189 1
1 429 . 11 1 1 A 46 46 SER CA C 46 60.190 60.576 -0.386 1
1 430 . 11 1 1 A 46 46 SER CB C 46 62.093 63.384 -1.291 1
1 431 . 11 1 1 A 46 46 SER N N 46 109.975 113.433 -3.458 1
1 432 . 11 1 1 A 47 47 ARG H H 47 7.381 7.248 0.133 1
1 433 . 11 1 1 A 47 47 ARG HA H 47 4.448 4.268 0.180 1
1 438 . 11 1 1 A 47 47 ARG CA C 47 56.257 56.932 -0.675 1
1 439 . 11 1 1 A 47 47 ARG CB C 47 32.699 30.548 2.151 1
1 442 . 11 1 1 A 47 47 ARG N N 47 120.043 117.509 2.534 1
1 443 . 11 1 1 A 48 48 CYS H H 48 7.864 7.713 0.151 1
1 444 . 11 1 1 A 48 48 CYS HA H 48 5.145 4.909 0.236 1
1 447 . 11 1 1 A 48 48 CYS CA C 48 52.322 54.172 -1.850 1
1 448 . 11 1 1 A 48 48 CYS CB C 48 41.255 43.583 -2.328 1
1 449 . 11 1 1 A 48 48 CYS N N 48 118.806 118.092 0.714 1
1 450 . 11 1 1 A 49 49 PRO HA H 49 4.475 4.632 -0.157 1
1 457 . 11 1 1 A 49 49 PRO CA C 49 64.149 64.017 0.132 1
1 458 . 11 1 1 A 49 49 PRO CB C 49 32.684 32.017 0.667 1
1 461 . 11 1 1 A 50 50 LEU H H 50 8.839 7.875 0.964 1
1 462 . 11 1 1 A 50 50 LEU HA H 50 4.436 4.499 -0.063 1
1 472 . 11 1 1 A 50 50 LEU CA C 50 54.154 54.547 -0.393 1
1 473 . 11 1 1 A 50 50 LEU CB C 50 41.344 42.004 -0.660 1
1 477 . 11 1 1 A 50 50 LEU N N 50 122.400 120.994 1.406 1
1 478 . 11 1 1 A 51 51 SER H H 51 8.563 8.814 -0.251 1
1 479 . 11 1 1 A 51 51 SER HA H 51 4.042 4.352 -0.310 1
1 481 . 11 1 1 A 51 51 SER CA C 51 60.771 60.914 -0.143 1
1 482 . 11 1 1 A 51 51 SER CB C 51 62.818 63.401 -0.583 1
1 483 . 11 1 1 A 51 51 SER N N 51 120.571 118.707 1.864 1
1 484 . 11 1 1 A 52 52 LYS H H 52 8.067 7.818 0.249 1
1 485 . 11 1 1 A 52 52 LYS HA H 52 4.324 4.258 0.066 1
1 491 . 11 1 1 A 52 52 LYS CA C 52 56.796 57.439 -0.643 1
1 492 . 11 1 1 A 52 52 LYS CB C 52 31.870 32.616 -0.746 1
1 496 . 11 1 1 A 52 52 LYS N N 52 117.675 118.481 -0.806 1
1 497 . 11 1 1 A 53 53 LYS H H 53 7.619 7.787 -0.168 1
1 498 . 11 1 1 A 53 53 LYS HA H 53 4.426 4.560 -0.134 1
1 504 . 11 1 1 A 53 53 LYS CA C 53 55.204 55.326 -0.122 1
1 505 . 11 1 1 A 53 53 LYS CB C 53 33.881 33.367 0.514 1
1 509 . 11 1 1 A 53 53 LYS N N 53 122.168 119.075 3.093 1
1 510 . 11 1 1 A 54 54 ALA H H 54 8.485 7.865 0.620 1
1 511 . 11 1 1 A 54 54 ALA HA H 54 4.410 4.230 0.180 1
1 515 . 11 1 1 A 54 54 ALA CA C 54 53.135 52.225 0.910 1
1 516 . 11 1 1 A 54 54 ALA CB C 54 21.208 18.784 2.424 1
1 517 . 11 1 1 A 54 54 ALA N N 54 122.332 121.971 0.361 1
1 518 . 11 1 1 A 55 55 TRP H H 55 8.517 7.938 0.579 1
1 519 . 11 1 1 A 55 55 TRP HA H 55 4.676 4.816 -0.140 1
1 523 . 11 1 1 A 55 55 TRP CA C 55 57.259 56.783 0.476 1
1 524 . 11 1 1 A 55 55 TRP CB C 55 30.373 28.760 1.613 1
1 525 . 11 1 1 A 55 55 TRP N N 55 117.762 120.308 -2.546 1
1 527 . 11 1 1 A 56 56 THR H H 56 9.389 9.061 0.328 1
1 528 . 11 1 1 A 56 56 THR HA H 56 5.201 4.991 0.210 1
1 533 . 11 1 1 A 56 56 THR CA C 56 60.940 59.729 1.211 1
1 534 . 11 1 1 A 56 56 THR CB C 56 70.961 71.054 -0.093 1
1 536 . 11 1 1 A 56 56 THR N N 56 117.434 118.385 -0.951 1
1 537 . 11 1 1 A 57 57 CYS H H 57 8.665 9.315 -0.650 1
1 538 . 11 1 1 A 57 57 CYS HA H 57 4.827 4.768 0.059 1
1 541 . 11 1 1 A 57 57 CYS CA C 57 56.272 55.682 0.590 1
1 542 . 11 1 1 A 57 57 CYS CB C 57 37.251 42.187 -4.936 1
1 543 . 11 1 1 A 57 57 CYS N N 57 126.085 123.270 2.815 1
1 544 . 11 1 1 A 58 58 ILE H H 58 9.150 9.388 -0.238 1
1 545 . 11 1 1 A 58 58 ILE HA H 58 4.297 4.348 -0.051 1
1 555 . 11 1 1 A 58 58 ILE CA C 58 58.322 60.403 -2.081 1
1 556 . 11 1 1 A 58 58 ILE CB C 58 37.652 37.818 -0.166 1
1 560 . 11 1 1 A 58 58 ILE N N 58 134.435 125.247 9.188 1
1 561 . 11 1 1 A 59 59 CYS H H 59 8.204 8.563 -0.359 1
1 562 . 11 1 1 A 59 59 CYS HA H 59 5.698 4.761 0.937 1
1 565 . 11 1 1 A 59 59 CYS CA C 59 51.508 56.343 -4.835 1
1 566 . 11 1 1 A 59 59 CYS CB C 59 36.523 41.859 -5.336 1
1 567 . 11 1 1 A 59 59 CYS N N 59 121.180 126.272 -5.092 1
1 8 . 12 1 1 A 2 2 ILE H H 2 8.299 8.650 -0.351 1
1 9 . 12 1 1 A 2 2 ILE HA H 2 4.139 4.625 -0.486 1
1 19 . 12 1 1 A 2 2 ILE CA C 2 61.463 59.977 1.486 1
1 20 . 12 1 1 A 2 2 ILE CB C 2 38.545 40.398 -1.853 1
1 24 . 12 1 1 A 2 2 ILE N N 2 121.433 123.107 -1.674 1
1 25 . 12 1 1 A 3 3 VAL H H 3 8.245 8.362 -0.117 1
1 26 . 12 1 1 A 3 3 VAL HA H 3 4.138 3.993 0.145 1
1 34 . 12 1 1 A 3 3 VAL CA C 3 61.813 62.613 -0.800 1
1 35 . 12 1 1 A 3 3 VAL CB C 3 32.887 30.717 2.170 1
1 38 . 12 1 1 A 3 3 VAL N N 3 123.973 122.355 1.618 1
1 39 . 12 1 1 A 4 4 ASP H H 4 8.320 8.120 0.200 1
1 40 . 12 1 1 A 4 4 ASP HA H 4 4.499 5.273 -0.774 1
1 43 . 12 1 1 A 4 4 ASP CA C 4 53.912 54.076 -0.164 1
1 44 . 12 1 1 A 4 4 ASP CB C 4 41.523 42.811 -1.288 1
1 45 . 12 1 1 A 4 4 ASP N N 4 123.308 125.008 -1.700 1
1 46 . 12 1 1 A 5 5 CYS H H 5 7.560 8.677 -1.117 1
1 47 . 12 1 1 A 5 5 CYS HA H 5 5.355 5.166 0.189 1
1 50 . 12 1 1 A 5 5 CYS CA C 5 54.544 55.424 -0.880 1
1 51 . 12 1 1 A 5 5 CYS CB C 5 44.815 47.163 -2.348 1
1 52 . 12 1 1 A 5 5 CYS N N 5 121.272 121.813 -0.541 1
1 53 . 12 1 1 A 6 6 TRP H H 6 9.768 8.642 1.126 1
1 54 . 12 1 1 A 6 6 TRP HA H 6 4.727 5.240 -0.513 1
1 58 . 12 1 1 A 6 6 TRP CB C 6 34.880 31.391 3.489 1
1 59 . 12 1 1 A 6 6 TRP N N 6 120.939 124.369 -3.430 1
1 61 . 12 1 1 A 7 7 GLU H H 7 10.518 7.711 2.807 1
1 62 . 12 1 1 A 7 7 GLU HA H 7 4.872 4.505 0.367 1
1 66 . 12 1 1 A 7 7 GLU CA C 7 59.493 57.087 2.406 1
1 67 . 12 1 1 A 7 7 GLU CB C 7 31.264 32.285 -1.021 1
1 69 . 12 1 1 A 7 7 GLU N N 7 119.048 123.156 -4.108 1
1 70 . 12 1 1 A 8 8 THR H H 8 7.112 7.024 0.088 1
1 71 . 12 1 1 A 8 8 THR HA H 8 4.509 4.727 -0.218 1
1 76 . 12 1 1 A 8 8 THR CA C 8 57.991 59.717 -1.726 1
1 77 . 12 1 1 A 8 8 THR CB C 8 73.377 71.013 2.364 1
1 79 . 12 1 1 A 8 8 THR N N 8 103.295 108.140 -4.845 1
1 80 . 12 1 1 A 9 9 TRP H H 9 7.902 8.947 -1.045 1
1 81 . 12 1 1 A 9 9 TRP HA H 9 2.806 4.330 -1.524 1
1 85 . 12 1 1 A 9 9 TRP CA C 9 62.403 61.201 1.202 1
1 86 . 12 1 1 A 9 9 TRP CB C 9 26.876 29.683 -2.807 1
1 87 . 12 1 1 A 9 9 TRP N N 9 121.679 124.067 -2.388 1
1 89 . 12 1 1 A 10 10 SER H H 10 8.585 8.404 0.181 1
1 90 . 12 1 1 A 10 10 SER HA H 10 3.354 4.422 -1.068 1
1 93 . 12 1 1 A 10 10 SER CA C 10 61.924 61.748 0.176 1
1 94 . 12 1 1 A 10 10 SER CB C 10 62.121 63.417 -1.296 1
1 95 . 12 1 1 A 10 10 SER N N 10 114.940 116.158 -1.218 1
1 96 . 12 1 1 A 11 11 ARG H H 11 7.619 7.730 -0.111 1
1 97 . 12 1 1 A 11 11 ARG HA H 11 3.797 4.126 -0.329 1
1 103 . 12 1 1 A 11 11 ARG CA C 11 58.216 58.803 -0.587 1
1 104 . 12 1 1 A 11 11 ARG CB C 11 30.189 29.240 0.949 1
1 107 . 12 1 1 A 11 11 ARG N N 11 120.414 119.352 1.062 1
1 108 . 12 1 1 A 12 12 CYS H H 12 6.939 7.531 -0.592 1
1 109 . 12 1 1 A 12 12 CYS HA H 12 2.633 4.594 -1.961 1
1 112 . 12 1 1 A 12 12 CYS CA C 12 58.084 57.179 0.905 1
1 113 . 12 1 1 A 12 12 CYS CB C 12 41.245 42.584 -1.339 1
1 114 . 12 1 1 A 12 12 CYS N N 12 114.990 117.937 -2.947 1
1 115 . 12 1 1 A 13 13 THR H H 13 7.600 7.760 -0.160 1
1 116 . 12 1 1 A 13 13 THR HA H 13 3.346 4.641 -1.295 1
1 121 . 12 1 1 A 13 13 THR CA C 13 66.553 62.215 4.338 1
1 122 . 12 1 1 A 13 13 THR CB C 13 68.908 69.754 -0.846 1
1 124 . 12 1 1 A 13 13 THR N N 13 115.078 110.254 4.824 1
1 125 . 12 1 1 A 14 14 LYS H H 14 7.138 8.309 -1.171 1
1 126 . 12 1 1 A 14 14 LYS HA H 14 4.141 4.457 -0.316 1
1 132 . 12 1 1 A 14 14 LYS CA C 14 56.515 57.322 -0.807 1
1 133 . 12 1 1 A 14 14 LYS CB C 14 33.392 32.938 0.454 1
1 137 . 12 1 1 A 14 14 LYS N N 14 119.549 120.282 -0.733 1
1 138 . 12 1 1 A 15 15 TRP H H 15 7.747 7.611 0.136 1
1 139 . 12 1 1 A 15 15 TRP HA H 15 4.360 4.777 -0.417 1
1 143 . 12 1 1 A 15 15 TRP CA C 15 57.057 56.570 0.487 1
1 144 . 12 1 1 A 15 15 TRP CB C 15 29.949 27.848 2.101 1
1 145 . 12 1 1 A 15 15 TRP N N 15 122.233 119.835 2.398 1
1 147 . 12 1 1 A 16 16 SER H H 16 7.845 8.695 -0.850 1
1 148 . 12 1 1 A 16 16 SER HA H 16 4.236 4.666 -0.430 1
1 151 . 12 1 1 A 16 16 SER CA C 16 57.866 57.904 -0.038 1
1 152 . 12 1 1 A 16 16 SER CB C 16 64.242 61.225 3.017 1
1 153 . 12 1 1 A 16 16 SER N N 16 116.282 122.763 -6.481 1
1 154 . 12 1 1 A 17 17 GLN H H 17 8.150 7.873 0.277 1
1 155 . 12 1 1 A 17 17 GLN HA H 17 4.238 4.694 -0.456 1
1 159 . 12 1 1 A 17 17 GLN CA C 17 55.929 55.204 0.725 1
1 160 . 12 1 1 A 17 17 GLN CB C 17 29.663 32.448 -2.785 1
1 162 . 12 1 1 A 17 17 GLN N N 17 122.525 121.428 1.097 1
1 163 . 12 1 1 A 18 18 GLY H H 18 8.313 8.829 -0.516 1
1 164 . 12 1 1 A 18 18 GLY HA2 H 18 3.928 3.894 0.034 1
1 165 . 12 1 1 A 18 18 GLY N N 18 110.285 111.742 -1.457 1
1 166 . 12 1 1 A 19 19 GLY H H 19 8.241 7.964 0.277 1
1 167 . 12 1 1 A 19 19 GLY HA2 H 19 3.939 4.005 -0.066 1
1 168 . 12 1 1 A 19 19 GLY N N 19 108.776 108.256 0.520 1
1 169 . 12 1 1 A 20 20 THR H H 20 8.166 8.135 0.031 1
1 170 . 12 1 1 A 20 20 THR HA H 20 4.318 4.289 0.029 1
1 175 . 12 1 1 A 20 20 THR CA C 20 61.985 63.003 -1.018 1
1 176 . 12 1 1 A 20 20 THR CB C 20 69.591 68.811 0.780 1
1 178 . 12 1 1 A 20 20 THR N N 20 113.035 116.814 -3.779 1
1 179 . 12 1 1 A 21 21 GLY H H 21 8.423 8.600 -0.177 1
1 180 . 12 1 1 A 21 21 GLY HA2 H 21 3.836 4.252 -0.416 1
1 181 . 12 1 1 A 21 21 GLY HA3 H 21 4.047 4.252 -0.205 1
1 182 . 12 1 1 A 21 21 GLY CA C 21 45.397 46.252 -0.855 1
1 183 . 12 1 1 A 21 21 GLY N N 21 111.299 109.487 1.812 1
1 184 . 12 1 1 A 22 22 THR H H 22 7.915 8.049 -0.134 1
1 185 . 12 1 1 A 22 22 THR HA H 22 4.279 4.671 -0.392 1
1 190 . 12 1 1 A 22 22 THR CA C 22 61.845 62.963 -1.118 1
1 191 . 12 1 1 A 22 22 THR CB C 22 69.755 71.616 -1.861 1
1 193 . 12 1 1 A 22 22 THR N N 22 113.293 115.350 -2.057 1
1 194 . 12 1 1 A 23 23 LEU H H 23 8.132 7.868 0.264 1
1 195 . 12 1 1 A 23 23 LEU HA H 23 4.282 4.732 -0.450 1
1 205 . 12 1 1 A 23 23 LEU CA C 23 55.052 53.846 1.206 1
1 206 . 12 1 1 A 23 23 LEU CB C 23 42.511 42.806 -0.295 1
1 210 . 12 1 1 A 23 23 LEU N N 23 124.055 119.300 4.755 1
1 211 . 12 1 1 A 24 24 TRP H H 24 8.011 8.043 -0.032 1
1 212 . 12 1 1 A 24 24 TRP HA H 24 4.694 4.347 0.347 1
1 216 . 12 1 1 A 24 24 TRP CA C 24 56.611 60.391 -3.780 1
1 217 . 12 1 1 A 24 24 TRP CB C 24 30.203 28.779 1.424 1
1 218 . 12 1 1 A 24 24 TRP N N 24 122.196 121.419 0.777 1
1 220 . 12 1 1 A 25 25 LYS H H 25 8.384 6.899 1.485 1
1 221 . 12 1 1 A 25 25 LYS HA H 25 4.415 3.989 0.426 1
1 228 . 12 1 1 A 25 25 LYS CB C 25 34.608 30.803 3.805 1
1 232 . 12 1 1 A 25 25 LYS N N 25 122.979 116.465 6.514 1
1 233 . 12 1 1 A 26 26 SER H H 26 8.703 8.177 0.526 1
1 234 . 12 1 1 A 26 26 SER HA H 26 4.689 4.753 -0.064 1
1 237 . 12 1 1 A 26 26 SER CA C 26 60.110 57.509 2.601 1
1 238 . 12 1 1 A 26 26 SER CB C 26 64.419 66.818 -2.399 1
1 239 . 12 1 1 A 26 26 SER N N 26 117.775 112.151 5.624 1
1 240 . 12 1 1 A 27 27 CYS H H 27 8.216 8.867 -0.651 1
1 241 . 12 1 1 A 27 27 CYS HA H 27 4.382 4.288 0.094 1
1 244 . 12 1 1 A 27 27 CYS CA C 27 58.151 60.150 -1.999 1
1 245 . 12 1 1 A 27 27 CYS CB C 27 36.051 41.700 -5.649 1
1 246 . 12 1 1 A 27 27 CYS N N 27 119.629 122.957 -3.328 1
1 247 . 12 1 1 A 28 28 ASN H H 28 8.640 8.315 0.325 1
1 248 . 12 1 1 A 28 28 ASN HA H 28 4.039 4.487 -0.448 1
1 251 . 12 1 1 A 28 28 ASN CA C 28 57.688 56.751 0.937 1
1 252 . 12 1 1 A 28 28 ASN CB C 28 39.578 39.594 -0.016 1
1 253 . 12 1 1 A 28 28 ASN N N 28 117.431 120.027 -2.596 1
1 254 . 12 1 1 A 29 29 ASP H H 29 7.910 8.287 -0.377 1
1 255 . 12 1 1 A 29 29 ASP HA H 29 4.290 4.385 -0.095 1
1 258 . 12 1 1 A 29 29 ASP CA C 29 57.649 57.373 0.276 1
1 259 . 12 1 1 A 29 29 ASP CB C 29 40.511 40.966 -0.455 1
1 260 . 12 1 1 A 29 29 ASP N N 29 117.680 119.442 -1.762 1
1 261 . 12 1 1 A 30 30 ARG H H 30 8.559 7.853 0.706 1
1 262 . 12 1 1 A 30 30 ARG HA H 30 3.792 4.133 -0.341 1
1 267 . 12 1 1 A 30 30 ARG CA C 30 59.243 59.358 -0.115 1
1 268 . 12 1 1 A 30 30 ARG CB C 30 29.806 29.510 0.296 1
1 271 . 12 1 1 A 30 30 ARG N N 30 121.907 117.909 3.998 1
1 272 . 12 1 1 A 31 31 CYS H H 31 8.066 7.915 0.151 1
1 273 . 12 1 1 A 31 31 CYS HA H 31 4.285 4.533 -0.248 1
1 276 . 12 1 1 A 31 31 CYS CA C 31 58.396 59.705 -1.309 1
1 277 . 12 1 1 A 31 31 CYS CB C 31 36.213 42.198 -5.985 1
1 278 . 12 1 1 A 31 31 CYS N N 31 117.122 118.106 -0.984 1
1 279 . 12 1 1 A 32 32 LYS H H 32 8.096 7.662 0.434 1
1 280 . 12 1 1 A 32 32 LYS HA H 32 4.402 4.124 0.278 1
1 286 . 12 1 1 A 32 32 LYS CA C 32 59.508 59.759 -0.251 1
1 287 . 12 1 1 A 32 32 LYS CB C 32 31.698 32.220 -0.522 1
1 289 . 12 1 1 A 32 32 LYS N N 32 121.727 120.713 1.014 1
1 290 . 12 1 1 A 33 33 GLU H H 33 8.131 8.471 -0.340 1
1 291 . 12 1 1 A 33 33 GLU HA H 33 4.090 4.216 -0.126 1
1 295 . 12 1 1 A 33 33 GLU CA C 33 59.018 58.126 0.892 1
1 296 . 12 1 1 A 33 33 GLU CB C 33 29.103 28.608 0.495 1
1 298 . 12 1 1 A 33 33 GLU N N 33 121.845 118.560 3.285 1
1 299 . 12 1 1 A 34 34 LEU H H 34 7.318 7.792 -0.474 1
1 300 . 12 1 1 A 34 34 LEU HA H 34 4.385 4.554 -0.169 1
1 310 . 12 1 1 A 34 34 LEU CA C 34 54.830 55.351 -0.521 1
1 311 . 12 1 1 A 34 34 LEU CB C 34 42.243 43.187 -0.944 1
1 315 . 12 1 1 A 34 34 LEU N N 34 117.966 121.402 -3.436 1
1 316 . 12 1 1 A 35 35 GLY H H 35 7.931 8.571 -0.640 1
1 317 . 12 1 1 A 35 35 GLY HA2 H 35 3.793 3.994 -0.201 1
1 318 . 12 1 1 A 35 35 GLY HA3 H 35 4.251 3.994 0.257 1
1 319 . 12 1 1 A 35 35 GLY CA C 35 39.163 46.243 -7.080 1
1 320 . 12 1 1 A 35 35 GLY N N 35 107.160 108.251 -1.091 1
1 321 . 12 1 1 A 36 36 ARG H H 36 7.772 7.893 -0.121 1
1 322 . 12 1 1 A 36 36 ARG HA H 36 4.700 4.901 -0.201 1
1 329 . 12 1 1 A 36 36 ARG CA C 36 52.697 54.097 -1.400 1
1 330 . 12 1 1 A 36 36 ARG CB C 36 27.998 33.326 -5.328 1
1 333 . 12 1 1 A 36 36 ARG N N 36 119.227 119.278 -0.051 1
1 334 . 12 1 1 A 37 37 LYS H H 37 9.057 8.944 0.113 1
1 335 . 12 1 1 A 37 37 LYS HA H 37 4.220 4.434 -0.214 1
1 342 . 12 1 1 A 37 37 LYS CA C 37 58.398 57.970 0.428 1
1 343 . 12 1 1 A 37 37 LYS CB C 37 33.797 32.815 0.982 1
1 346 . 12 1 1 A 37 37 LYS N N 37 119.506 119.940 -0.434 1
1 347 . 12 1 1 A 38 38 ARG H H 38 8.278 7.874 0.404 1
1 348 . 12 1 1 A 38 38 ARG HA H 38 4.721 4.832 -0.111 1
1 354 . 12 1 1 A 38 38 ARG CA C 38 54.582 54.510 0.072 1
1 355 . 12 1 1 A 38 38 ARG CB C 38 32.642 33.763 -1.121 1
1 358 . 12 1 1 A 38 38 ARG N N 38 113.248 113.796 -0.548 1
1 359 . 12 1 1 A 39 39 GLY H H 39 9.055 8.549 0.506 1
1 360 . 12 1 1 A 39 39 GLY HA2 H 39 3.895 4.418 -0.523 1
1 361 . 12 1 1 A 39 39 GLY HA3 H 39 5.551 4.418 1.133 1
1 362 . 12 1 1 A 39 39 GLY CA C 39 46.770 44.587 2.183 1
1 363 . 12 1 1 A 39 39 GLY N N 39 107.276 106.623 0.653 1
1 364 . 12 1 1 A 40 40 GLN H H 40 9.453 9.525 -0.072 1
1 365 . 12 1 1 A 40 40 GLN HA H 40 4.717 5.016 -0.299 1
1 370 . 12 1 1 A 40 40 GLN CA C 40 54.463 53.753 0.710 1
1 371 . 12 1 1 A 40 40 GLN CB C 40 32.364 31.968 0.396 1
1 373 . 12 1 1 A 40 40 GLN N N 40 120.430 120.638 -0.208 1
1 374 . 12 1 1 A 41 41 CYS H H 41 9.208 8.623 0.585 1
1 375 . 12 1 1 A 41 41 CYS HA H 41 5.935 4.858 1.077 1
1 378 . 12 1 1 A 41 41 CYS CA C 41 59.537 55.282 4.255 1
1 379 . 12 1 1 A 41 41 CYS CB C 41 48.386 41.958 6.428 1
1 380 . 12 1 1 A 41 41 CYS N N 41 122.768 120.430 2.338 1
1 381 . 12 1 1 A 42 42 GLU H H 42 9.529 9.436 0.093 1
1 382 . 12 1 1 A 42 42 GLU HA H 42 5.066 4.856 0.210 1
1 386 . 12 1 1 A 42 42 GLU CA C 42 54.869 54.908 -0.039 1
1 387 . 12 1 1 A 42 42 GLU CB C 42 35.149 32.347 2.802 1
1 389 . 12 1 1 A 42 42 GLU N N 42 122.626 126.138 -3.512 1
1 390 . 12 1 1 A 43 43 GLU H H 43 8.450 8.415 0.035 1
1 391 . 12 1 1 A 43 43 GLU HA H 43 3.973 4.361 -0.388 1
1 396 . 12 1 1 A 43 43 GLU CA C 43 55.920 55.304 0.616 1
1 397 . 12 1 1 A 43 43 GLU CB C 43 29.068 28.097 0.971 1
1 399 . 12 1 1 A 43 43 GLU N N 43 122.712 121.728 0.984 1
1 400 . 12 1 1 A 44 44 LYS H H 44 8.051 8.056 -0.005 1
1 401 . 12 1 1 A 44 44 LYS HA H 44 4.858 4.947 -0.089 1
1 408 . 12 1 1 A 44 44 LYS CA C 44 51.858 53.088 -1.230 1
1 409 . 12 1 1 A 44 44 LYS CB C 44 33.736 33.742 -0.006 1
1 413 . 12 1 1 A 44 44 LYS N N 44 124.525 125.876 -1.351 1
1 414 . 12 1 1 A 45 45 PRO HA H 45 4.371 4.564 -0.193 1
1 421 . 12 1 1 A 45 45 PRO CA C 45 64.556 63.774 0.782 1
1 422 . 12 1 1 A 45 45 PRO CB C 45 31.781 31.983 -0.202 1
1 425 . 12 1 1 A 46 46 SER H H 46 8.132 8.532 -0.400 1
1 426 . 12 1 1 A 46 46 SER HA H 46 4.119 4.359 -0.240 1
1 429 . 12 1 1 A 46 46 SER CA C 46 60.190 60.382 -0.192 1
1 430 . 12 1 1 A 46 46 SER CB C 46 62.093 63.172 -1.079 1
1 431 . 12 1 1 A 46 46 SER N N 46 109.975 116.619 -6.644 1
1 432 . 12 1 1 A 47 47 ARG H H 47 7.381 8.046 -0.665 1
1 433 . 12 1 1 A 47 47 ARG HA H 47 4.448 4.513 -0.065 1
1 438 . 12 1 1 A 47 47 ARG CA C 47 56.257 55.565 0.692 1
1 439 . 12 1 1 A 47 47 ARG CB C 47 32.699 31.216 1.483 1
1 442 . 12 1 1 A 47 47 ARG N N 47 120.043 114.096 5.947 1
1 443 . 12 1 1 A 48 48 CYS H H 48 7.864 7.666 0.198 1
1 444 . 12 1 1 A 48 48 CYS HA H 48 5.145 4.992 0.153 1
1 447 . 12 1 1 A 48 48 CYS CA C 48 52.322 53.679 -1.357 1
1 448 . 12 1 1 A 48 48 CYS CB C 48 41.255 44.239 -2.984 1
1 449 . 12 1 1 A 48 48 CYS N N 48 118.806 118.470 0.336 1
1 450 . 12 1 1 A 49 49 PRO HA H 49 4.475 4.612 -0.137 1
1 457 . 12 1 1 A 49 49 PRO CA C 49 64.149 63.767 0.382 1
1 458 . 12 1 1 A 49 49 PRO CB C 49 32.684 32.342 0.342 1
1 461 . 12 1 1 A 50 50 LEU H H 50 8.839 7.610 1.229 1
1 462 . 12 1 1 A 50 50 LEU HA H 50 4.436 4.805 -0.369 1
1 472 . 12 1 1 A 50 50 LEU CA C 50 54.154 53.333 0.821 1
1 473 . 12 1 1 A 50 50 LEU CB C 50 41.344 44.588 -3.244 1
1 477 . 12 1 1 A 50 50 LEU N N 50 122.400 121.940 0.460 1
1 478 . 12 1 1 A 51 51 SER H H 51 8.563 9.143 -0.580 1
1 479 . 12 1 1 A 51 51 SER HA H 51 4.042 4.219 -0.177 1
1 481 . 12 1 1 A 51 51 SER CA C 51 60.771 62.071 -1.300 1
1 482 . 12 1 1 A 51 51 SER CB C 51 62.818 63.071 -0.253 1
1 483 . 12 1 1 A 51 51 SER N N 51 120.571 118.580 1.991 1
1 484 . 12 1 1 A 52 52 LYS H H 52 8.067 8.168 -0.101 1
1 485 . 12 1 1 A 52 52 LYS HA H 52 4.324 4.156 0.168 1
1 491 . 12 1 1 A 52 52 LYS CA C 52 56.796 59.065 -2.269 1
1 492 . 12 1 1 A 52 52 LYS CB C 52 31.870 32.404 -0.534 1
1 496 . 12 1 1 A 52 52 LYS N N 52 117.675 121.350 -3.675 1
1 497 . 12 1 1 A 53 53 LYS H H 53 7.619 7.967 -0.348 1
1 498 . 12 1 1 A 53 53 LYS HA H 53 4.426 4.685 -0.259 1
1 504 . 12 1 1 A 53 53 LYS CA C 53 55.204 55.495 -0.291 1
1 505 . 12 1 1 A 53 53 LYS CB C 53 33.881 32.700 1.181 1
1 509 . 12 1 1 A 53 53 LYS N N 53 122.168 116.394 5.774 1
1 510 . 12 1 1 A 54 54 ALA H H 54 8.485 7.910 0.575 1
1 511 . 12 1 1 A 54 54 ALA HA H 54 4.410 4.469 -0.059 1
1 515 . 12 1 1 A 54 54 ALA CA C 54 53.135 52.202 0.933 1
1 516 . 12 1 1 A 54 54 ALA CB C 54 21.208 18.642 2.566 1
1 517 . 12 1 1 A 54 54 ALA N N 54 122.332 122.403 -0.071 1
1 518 . 12 1 1 A 55 55 TRP H H 55 8.517 8.159 0.358 1
1 519 . 12 1 1 A 55 55 TRP HA H 55 4.676 5.066 -0.390 1
1 523 . 12 1 1 A 55 55 TRP CA C 55 57.259 56.733 0.526 1
1 524 . 12 1 1 A 55 55 TRP CB C 55 30.373 30.234 0.139 1
1 525 . 12 1 1 A 55 55 TRP N N 55 117.762 120.369 -2.607 1
1 527 . 12 1 1 A 56 56 THR H H 56 9.389 8.962 0.427 1
1 528 . 12 1 1 A 56 56 THR HA H 56 5.201 5.077 0.124 1
1 533 . 12 1 1 A 56 56 THR CA C 56 60.940 59.649 1.291 1
1 534 . 12 1 1 A 56 56 THR CB C 56 70.961 71.032 -0.071 1
1 536 . 12 1 1 A 56 56 THR N N 56 117.434 113.838 3.596 1
1 537 . 12 1 1 A 57 57 CYS H H 57 8.665 9.012 -0.347 1
1 538 . 12 1 1 A 57 57 CYS HA H 57 4.827 4.807 0.020 1
1 541 . 12 1 1 A 57 57 CYS CA C 57 56.272 55.301 0.971 1
1 542 . 12 1 1 A 57 57 CYS CB C 57 37.251 41.037 -3.786 1
1 543 . 12 1 1 A 57 57 CYS N N 57 126.085 119.736 6.349 1
1 544 . 12 1 1 A 58 58 ILE H H 58 9.150 8.447 0.703 1
1 545 . 12 1 1 A 58 58 ILE HA H 58 4.297 4.033 0.264 1
1 555 . 12 1 1 A 58 58 ILE CA C 58 58.322 61.945 -3.623 1
1 556 . 12 1 1 A 58 58 ILE CB C 58 37.652 37.661 -0.009 1
1 560 . 12 1 1 A 58 58 ILE N N 58 134.435 124.770 9.665 1
1 561 . 12 1 1 A 59 59 CYS H H 59 8.204 8.610 -0.406 1
1 562 . 12 1 1 A 59 59 CYS HA H 59 5.698 4.935 0.763 1
1 565 . 12 1 1 A 59 59 CYS CA C 59 51.508 56.212 -4.704 1
1 566 . 12 1 1 A 59 59 CYS CB C 59 36.523 42.517 -5.994 1
1 567 . 12 1 1 A 59 59 CYS N N 59 121.180 125.363 -4.183 1
1 8 . 13 1 1 A 2 2 ILE H H 2 8.299 8.723 -0.424 1
1 9 . 13 1 1 A 2 2 ILE HA H 2 4.139 4.268 -0.129 1
1 19 . 13 1 1 A 2 2 ILE CA C 2 61.463 62.430 -0.967 1
1 20 . 13 1 1 A 2 2 ILE CB C 2 38.545 38.688 -0.143 1
1 24 . 13 1 1 A 2 2 ILE N N 2 121.433 122.963 -1.530 1
1 25 . 13 1 1 A 3 3 VAL H H 3 8.245 7.955 0.290 1
1 26 . 13 1 1 A 3 3 VAL HA H 3 4.138 4.277 -0.139 1
1 34 . 13 1 1 A 3 3 VAL CA C 3 61.813 63.375 -1.562 1
1 35 . 13 1 1 A 3 3 VAL CB C 3 32.887 30.830 2.057 1
1 38 . 13 1 1 A 3 3 VAL N N 3 123.973 119.280 4.693 1
1 39 . 13 1 1 A 4 4 ASP H H 4 8.320 9.024 -0.704 1
1 40 . 13 1 1 A 4 4 ASP HA H 4 4.499 5.215 -0.716 1
1 43 . 13 1 1 A 4 4 ASP CA C 4 53.912 52.831 1.081 1
1 44 . 13 1 1 A 4 4 ASP CB C 4 41.523 44.057 -2.534 1
1 45 . 13 1 1 A 4 4 ASP N N 4 123.308 124.995 -1.687 1
1 46 . 13 1 1 A 5 5 CYS H H 5 7.560 8.987 -1.427 1
1 47 . 13 1 1 A 5 5 CYS HA H 5 5.355 5.457 -0.102 1
1 50 . 13 1 1 A 5 5 CYS CA C 5 54.544 54.947 -0.403 1
1 51 . 13 1 1 A 5 5 CYS CB C 5 44.815 46.168 -1.353 1
1 52 . 13 1 1 A 5 5 CYS N N 5 121.272 117.027 4.245 1
1 53 . 13 1 1 A 6 6 TRP H H 6 9.768 9.361 0.407 1
1 54 . 13 1 1 A 6 6 TRP HA H 6 4.727 4.871 -0.144 1
1 58 . 13 1 1 A 6 6 TRP CB C 6 34.880 30.775 4.105 1
1 59 . 13 1 1 A 6 6 TRP N N 6 120.939 126.542 -5.603 1
1 61 . 13 1 1 A 7 7 GLU H H 7 10.518 8.369 2.149 1
1 62 . 13 1 1 A 7 7 GLU HA H 7 4.872 4.545 0.327 1
1 66 . 13 1 1 A 7 7 GLU CA C 7 59.493 57.511 1.982 1
1 67 . 13 1 1 A 7 7 GLU CB C 7 31.264 31.995 -0.731 1
1 69 . 13 1 1 A 7 7 GLU N N 7 119.048 124.912 -5.864 1
1 70 . 13 1 1 A 8 8 THR H H 8 7.112 7.557 -0.445 1
1 71 . 13 1 1 A 8 8 THR HA H 8 4.509 4.674 -0.165 1
1 76 . 13 1 1 A 8 8 THR CA C 8 57.991 61.895 -3.904 1
1 77 . 13 1 1 A 8 8 THR CB C 8 73.377 69.669 3.708 1
1 79 . 13 1 1 A 8 8 THR N N 8 103.295 110.002 -6.707 1
1 80 . 13 1 1 A 9 9 TRP H H 9 7.902 7.976 -0.074 1
1 81 . 13 1 1 A 9 9 TRP HA H 9 2.806 5.042 -2.236 1
1 85 . 13 1 1 A 9 9 TRP CA C 9 62.403 58.722 3.681 1
1 86 . 13 1 1 A 9 9 TRP CB C 9 26.876 30.500 -3.624 1
1 87 . 13 1 1 A 9 9 TRP N N 9 121.679 123.377 -1.698 1
1 89 . 13 1 1 A 10 10 SER H H 10 8.585 8.944 -0.359 1
1 90 . 13 1 1 A 10 10 SER HA H 10 3.354 4.463 -1.109 1
1 93 . 13 1 1 A 10 10 SER CA C 10 61.924 61.497 0.427 1
1 94 . 13 1 1 A 10 10 SER CB C 10 62.121 63.560 -1.439 1
1 95 . 13 1 1 A 10 10 SER N N 10 114.940 115.669 -0.729 1
1 96 . 13 1 1 A 11 11 ARG H H 11 7.619 8.260 -0.641 1
1 97 . 13 1 1 A 11 11 ARG HA H 11 3.797 4.396 -0.599 1
1 103 . 13 1 1 A 11 11 ARG CA C 11 58.216 55.871 2.345 1
1 104 . 13 1 1 A 11 11 ARG CB C 11 30.189 29.107 1.082 1
1 107 . 13 1 1 A 11 11 ARG N N 11 120.414 118.349 2.065 1
1 108 . 13 1 1 A 12 12 CYS H H 12 6.939 8.276 -1.337 1
1 109 . 13 1 1 A 12 12 CYS HA H 12 2.633 4.879 -2.246 1
1 112 . 13 1 1 A 12 12 CYS CA C 12 58.084 56.801 1.283 1
1 113 . 13 1 1 A 12 12 CYS CB C 12 41.245 44.584 -3.339 1
1 114 . 13 1 1 A 12 12 CYS N N 12 114.990 117.012 -2.022 1
1 115 . 13 1 1 A 13 13 THR H H 13 7.600 8.045 -0.445 1
1 116 . 13 1 1 A 13 13 THR HA H 13 3.346 4.441 -1.095 1
1 121 . 13 1 1 A 13 13 THR CA C 13 66.553 63.777 2.776 1
1 122 . 13 1 1 A 13 13 THR CB C 13 68.908 70.245 -1.337 1
1 124 . 13 1 1 A 13 13 THR N N 13 115.078 114.422 0.656 1
1 125 . 13 1 1 A 14 14 LYS H H 14 7.138 7.850 -0.712 1
1 126 . 13 1 1 A 14 14 LYS HA H 14 4.141 4.587 -0.446 1
1 132 . 13 1 1 A 14 14 LYS CA C 14 56.515 55.622 0.893 1
1 133 . 13 1 1 A 14 14 LYS CB C 14 33.392 33.634 -0.242 1
1 137 . 13 1 1 A 14 14 LYS N N 14 119.549 117.199 2.350 1
1 138 . 13 1 1 A 15 15 TRP H H 15 7.747 7.622 0.125 1
1 139 . 13 1 1 A 15 15 TRP HA H 15 4.360 5.230 -0.870 1
1 143 . 13 1 1 A 15 15 TRP CA C 15 57.057 55.615 1.442 1
1 144 . 13 1 1 A 15 15 TRP CB C 15 29.949 32.789 -2.840 1
1 145 . 13 1 1 A 15 15 TRP N N 15 122.233 120.828 1.405 1
1 147 . 13 1 1 A 16 16 SER H H 16 7.845 8.895 -1.050 1
1 148 . 13 1 1 A 16 16 SER HA H 16 4.236 4.638 -0.402 1
1 151 . 13 1 1 A 16 16 SER CA C 16 57.866 58.266 -0.400 1
1 152 . 13 1 1 A 16 16 SER CB C 16 64.242 63.880 0.362 1
1 153 . 13 1 1 A 16 16 SER N N 16 116.282 119.564 -3.282 1
1 154 . 13 1 1 A 17 17 GLN H H 17 8.150 8.356 -0.206 1
1 155 . 13 1 1 A 17 17 GLN HA H 17 4.238 4.509 -0.271 1
1 159 . 13 1 1 A 17 17 GLN CA C 17 55.929 56.474 -0.545 1
1 160 . 13 1 1 A 17 17 GLN CB C 17 29.663 29.273 0.390 1
1 162 . 13 1 1 A 17 17 GLN N N 17 122.525 122.158 0.367 1
1 163 . 13 1 1 A 18 18 GLY H H 18 8.313 8.408 -0.095 1
1 164 . 13 1 1 A 18 18 GLY HA2 H 18 3.928 3.918 0.010 1
1 165 . 13 1 1 A 18 18 GLY N N 18 110.285 108.323 1.962 1
1 166 . 13 1 1 A 19 19 GLY H H 19 8.241 8.697 -0.456 1
1 167 . 13 1 1 A 19 19 GLY HA2 H 19 3.939 3.969 -0.030 1
1 168 . 13 1 1 A 19 19 GLY N N 19 108.776 113.498 -4.722 1
1 169 . 13 1 1 A 20 20 THR H H 20 8.166 8.243 -0.077 1
1 170 . 13 1 1 A 20 20 THR HA H 20 4.318 4.429 -0.111 1
1 175 . 13 1 1 A 20 20 THR CA C 20 61.985 61.376 0.609 1
1 176 . 13 1 1 A 20 20 THR CB C 20 69.591 68.646 0.945 1
1 178 . 13 1 1 A 20 20 THR N N 20 113.035 117.688 -4.653 1
1 179 . 13 1 1 A 21 21 GLY H H 21 8.423 8.317 0.106 1
1 180 . 13 1 1 A 21 21 GLY HA2 H 21 3.836 4.040 -0.204 1
1 181 . 13 1 1 A 21 21 GLY HA3 H 21 4.047 4.040 0.007 1
1 182 . 13 1 1 A 21 21 GLY CA C 21 45.397 46.290 -0.893 1
1 183 . 13 1 1 A 21 21 GLY N N 21 111.299 111.536 -0.237 1
1 184 . 13 1 1 A 22 22 THR H H 22 7.915 8.014 -0.099 1
1 185 . 13 1 1 A 22 22 THR HA H 22 4.279 4.598 -0.319 1
1 190 . 13 1 1 A 22 22 THR CA C 22 61.845 62.402 -0.557 1
1 191 . 13 1 1 A 22 22 THR CB C 22 69.755 70.496 -0.741 1
1 193 . 13 1 1 A 22 22 THR N N 22 113.293 114.674 -1.381 1
1 194 . 13 1 1 A 23 23 LEU H H 23 8.132 7.881 0.251 1
1 195 . 13 1 1 A 23 23 LEU HA H 23 4.282 4.659 -0.377 1
1 205 . 13 1 1 A 23 23 LEU CA C 23 55.052 53.899 1.153 1
1 206 . 13 1 1 A 23 23 LEU CB C 23 42.511 42.299 0.212 1
1 210 . 13 1 1 A 23 23 LEU N N 23 124.055 120.171 3.884 1
1 211 . 13 1 1 A 24 24 TRP H H 24 8.011 8.490 -0.479 1
1 212 . 13 1 1 A 24 24 TRP HA H 24 4.694 4.498 0.196 1
1 216 . 13 1 1 A 24 24 TRP CA C 24 56.611 60.205 -3.594 1
1 217 . 13 1 1 A 24 24 TRP CB C 24 30.203 29.380 0.823 1
1 218 . 13 1 1 A 24 24 TRP N N 24 122.196 123.148 -0.952 1
1 220 . 13 1 1 A 25 25 LYS H H 25 8.384 6.880 1.504 1
1 221 . 13 1 1 A 25 25 LYS HA H 25 4.415 4.016 0.399 1
1 228 . 13 1 1 A 25 25 LYS CB C 25 34.608 30.663 3.945 1
1 232 . 13 1 1 A 25 25 LYS N N 25 122.979 115.915 7.064 1
1 233 . 13 1 1 A 26 26 SER H H 26 8.703 7.991 0.712 1
1 234 . 13 1 1 A 26 26 SER HA H 26 4.689 4.622 0.067 1
1 237 . 13 1 1 A 26 26 SER CA C 26 60.110 57.394 2.716 1
1 238 . 13 1 1 A 26 26 SER CB C 26 64.419 65.099 -0.680 1
1 239 . 13 1 1 A 26 26 SER N N 26 117.775 109.622 8.153 1
1 240 . 13 1 1 A 27 27 CYS H H 27 8.216 9.090 -0.874 1
1 241 . 13 1 1 A 27 27 CYS HA H 27 4.382 4.390 -0.008 1
1 244 . 13 1 1 A 27 27 CYS CA C 27 58.151 58.827 -0.676 1
1 245 . 13 1 1 A 27 27 CYS CB C 27 36.051 42.049 -5.998 1
1 246 . 13 1 1 A 27 27 CYS N N 27 119.629 121.419 -1.790 1
1 247 . 13 1 1 A 28 28 ASN H H 28 8.640 8.328 0.312 1
1 248 . 13 1 1 A 28 28 ASN HA H 28 4.039 4.497 -0.458 1
1 251 . 13 1 1 A 28 28 ASN CA C 28 57.688 56.764 0.924 1
1 252 . 13 1 1 A 28 28 ASN CB C 28 39.578 39.219 0.359 1
1 253 . 13 1 1 A 28 28 ASN N N 28 117.431 119.934 -2.503 1
1 254 . 13 1 1 A 29 29 ASP H H 29 7.910 8.341 -0.431 1
1 255 . 13 1 1 A 29 29 ASP HA H 29 4.290 4.393 -0.103 1
1 258 . 13 1 1 A 29 29 ASP CA C 29 57.649 57.404 0.245 1
1 259 . 13 1 1 A 29 29 ASP CB C 29 40.511 41.000 -0.489 1
1 260 . 13 1 1 A 29 29 ASP N N 29 117.680 119.706 -2.026 1
1 261 . 13 1 1 A 30 30 ARG H H 30 8.559 7.921 0.638 1
1 262 . 13 1 1 A 30 30 ARG HA H 30 3.792 4.210 -0.418 1
1 267 . 13 1 1 A 30 30 ARG CA C 30 59.243 57.983 1.260 1
1 268 . 13 1 1 A 30 30 ARG CB C 30 29.806 29.590 0.216 1
1 271 . 13 1 1 A 30 30 ARG N N 30 121.907 117.569 4.338 1
1 272 . 13 1 1 A 31 31 CYS H H 31 8.066 7.559 0.507 1
1 273 . 13 1 1 A 31 31 CYS HA H 31 4.285 4.630 -0.345 1
1 276 . 13 1 1 A 31 31 CYS CA C 31 58.396 56.808 1.588 1
1 277 . 13 1 1 A 31 31 CYS CB C 31 36.213 43.855 -7.642 1
1 278 . 13 1 1 A 31 31 CYS N N 31 117.122 116.155 0.967 1
1 279 . 13 1 1 A 32 32 LYS H H 32 8.096 7.994 0.102 1
1 280 . 13 1 1 A 32 32 LYS HA H 32 4.402 4.065 0.337 1
1 286 . 13 1 1 A 32 32 LYS CA C 32 59.508 59.964 -0.456 1
1 287 . 13 1 1 A 32 32 LYS CB C 32 31.698 32.104 -0.406 1
1 289 . 13 1 1 A 32 32 LYS N N 32 121.727 120.864 0.863 1
1 290 . 13 1 1 A 33 33 GLU H H 33 8.131 8.064 0.067 1
1 291 . 13 1 1 A 33 33 GLU HA H 33 4.090 4.174 -0.084 1
1 295 . 13 1 1 A 33 33 GLU CA C 33 59.018 58.747 0.271 1
1 296 . 13 1 1 A 33 33 GLU CB C 33 29.103 28.333 0.770 1
1 298 . 13 1 1 A 33 33 GLU N N 33 121.845 117.848 3.997 1
1 299 . 13 1 1 A 34 34 LEU H H 34 7.318 7.412 -0.094 1
1 300 . 13 1 1 A 34 34 LEU HA H 34 4.385 4.334 0.051 1
1 310 . 13 1 1 A 34 34 LEU CA C 34 54.830 56.268 -1.438 1
1 311 . 13 1 1 A 34 34 LEU CB C 34 42.243 43.119 -0.876 1
1 315 . 13 1 1 A 34 34 LEU N N 34 117.966 121.515 -3.549 1
1 316 . 13 1 1 A 35 35 GLY H H 35 7.931 7.383 0.548 1
1 317 . 13 1 1 A 35 35 GLY HA2 H 35 3.793 4.131 -0.338 1
1 318 . 13 1 1 A 35 35 GLY HA3 H 35 4.251 4.131 0.120 1
1 319 . 13 1 1 A 35 35 GLY CA C 35 39.163 45.825 -6.662 1
1 320 . 13 1 1 A 35 35 GLY N N 35 107.160 107.291 -0.131 1
1 321 . 13 1 1 A 36 36 ARG H H 36 7.772 7.884 -0.112 1
1 322 . 13 1 1 A 36 36 ARG HA H 36 4.700 4.940 -0.240 1
1 329 . 13 1 1 A 36 36 ARG CA C 36 52.697 53.925 -1.228 1
1 330 . 13 1 1 A 36 36 ARG CB C 36 27.998 34.341 -6.343 1
1 333 . 13 1 1 A 36 36 ARG N N 36 119.227 119.440 -0.213 1
1 334 . 13 1 1 A 37 37 LYS H H 37 9.057 8.850 0.207 1
1 335 . 13 1 1 A 37 37 LYS HA H 37 4.220 4.364 -0.144 1
1 342 . 13 1 1 A 37 37 LYS CA C 37 58.398 58.190 0.208 1
1 343 . 13 1 1 A 37 37 LYS CB C 37 33.797 33.041 0.756 1
1 346 . 13 1 1 A 37 37 LYS N N 37 119.506 121.930 -2.424 1
1 347 . 13 1 1 A 38 38 ARG H H 38 8.278 8.084 0.194 1
1 348 . 13 1 1 A 38 38 ARG HA H 38 4.721 4.989 -0.268 1
1 354 . 13 1 1 A 38 38 ARG CA C 38 54.582 54.173 0.409 1
1 355 . 13 1 1 A 38 38 ARG CB C 38 32.642 33.634 -0.992 1
1 358 . 13 1 1 A 38 38 ARG N N 38 113.248 117.456 -4.208 1
1 359 . 13 1 1 A 39 39 GLY H H 39 9.055 8.506 0.549 1
1 360 . 13 1 1 A 39 39 GLY HA2 H 39 3.895 4.441 -0.546 1
1 361 . 13 1 1 A 39 39 GLY HA3 H 39 5.551 4.441 1.110 1
1 362 . 13 1 1 A 39 39 GLY CA C 39 46.770 44.519 2.251 1
1 363 . 13 1 1 A 39 39 GLY N N 39 107.276 107.589 -0.313 1
1 364 . 13 1 1 A 40 40 GLN H H 40 9.453 9.441 0.012 1
1 365 . 13 1 1 A 40 40 GLN HA H 40 4.717 4.839 -0.122 1
1 370 . 13 1 1 A 40 40 GLN CA C 40 54.463 54.346 0.117 1
1 371 . 13 1 1 A 40 40 GLN CB C 40 32.364 30.903 1.461 1
1 373 . 13 1 1 A 40 40 GLN N N 40 120.430 123.434 -3.004 1
1 374 . 13 1 1 A 41 41 CYS H H 41 9.208 8.510 0.698 1
1 375 . 13 1 1 A 41 41 CYS HA H 41 5.935 4.881 1.054 1
1 378 . 13 1 1 A 41 41 CYS CA C 41 59.537 55.265 4.272 1
1 379 . 13 1 1 A 41 41 CYS CB C 41 48.386 42.569 5.817 1
1 380 . 13 1 1 A 41 41 CYS N N 41 122.768 123.465 -0.697 1
1 381 . 13 1 1 A 42 42 GLU H H 42 9.529 9.013 0.516 1
1 382 . 13 1 1 A 42 42 GLU HA H 42 5.066 4.734 0.332 1
1 386 . 13 1 1 A 42 42 GLU CA C 42 54.869 54.194 0.675 1
1 387 . 13 1 1 A 42 42 GLU CB C 42 35.149 31.993 3.156 1
1 389 . 13 1 1 A 42 42 GLU N N 42 122.626 125.004 -2.378 1
1 390 . 13 1 1 A 43 43 GLU H H 43 8.450 8.002 0.448 1
1 391 . 13 1 1 A 43 43 GLU HA H 43 3.973 4.557 -0.584 1
1 396 . 13 1 1 A 43 43 GLU CA C 43 55.920 54.362 1.558 1
1 397 . 13 1 1 A 43 43 GLU CB C 43 29.068 30.803 -1.735 1
1 399 . 13 1 1 A 43 43 GLU N N 43 122.712 120.313 2.399 1
1 400 . 13 1 1 A 44 44 LYS H H 44 8.051 8.624 -0.573 1
1 401 . 13 1 1 A 44 44 LYS HA H 44 4.858 3.888 0.970 1
1 408 . 13 1 1 A 44 44 LYS CA C 44 51.858 56.540 -4.682 1
1 409 . 13 1 1 A 44 44 LYS CB C 44 33.736 30.384 3.352 1
1 413 . 13 1 1 A 44 44 LYS N N 44 124.525 118.220 6.305 1
1 414 . 13 1 1 A 45 45 PRO HA H 45 4.371 4.452 -0.081 1
1 421 . 13 1 1 A 45 45 PRO CA C 45 64.556 63.095 1.461 1
1 422 . 13 1 1 A 45 45 PRO CB C 45 31.781 31.628 0.153 1
1 425 . 13 1 1 A 46 46 SER H H 46 8.132 8.845 -0.713 1
1 426 . 13 1 1 A 46 46 SER HA H 46 4.119 4.622 -0.503 1
1 429 . 13 1 1 A 46 46 SER CA C 46 60.190 59.542 0.648 1
1 430 . 13 1 1 A 46 46 SER CB C 46 62.093 64.344 -2.251 1
1 431 . 13 1 1 A 46 46 SER N N 46 109.975 117.501 -7.526 1
1 432 . 13 1 1 A 47 47 ARG H H 47 7.381 7.798 -0.417 1
1 433 . 13 1 1 A 47 47 ARG HA H 47 4.448 4.584 -0.136 1
1 438 . 13 1 1 A 47 47 ARG CA C 47 56.257 55.317 0.940 1
1 439 . 13 1 1 A 47 47 ARG CB C 47 32.699 30.108 2.591 1
1 442 . 13 1 1 A 47 47 ARG N N 47 120.043 114.642 5.401 1
1 443 . 13 1 1 A 48 48 CYS H H 48 7.864 7.779 0.085 1
1 444 . 13 1 1 A 48 48 CYS HA H 48 5.145 5.044 0.101 1
1 447 . 13 1 1 A 48 48 CYS CA C 48 52.322 53.606 -1.284 1
1 448 . 13 1 1 A 48 48 CYS CB C 48 41.255 43.440 -2.185 1
1 449 . 13 1 1 A 48 48 CYS N N 48 118.806 118.696 0.110 1
1 450 . 13 1 1 A 49 49 PRO HA H 49 4.475 4.668 -0.193 1
1 457 . 13 1 1 A 49 49 PRO CA C 49 64.149 63.570 0.579 1
1 458 . 13 1 1 A 49 49 PRO CB C 49 32.684 31.721 0.963 1
1 461 . 13 1 1 A 50 50 LEU H H 50 8.839 7.944 0.895 1
1 462 . 13 1 1 A 50 50 LEU HA H 50 4.436 4.642 -0.206 1
1 472 . 13 1 1 A 50 50 LEU CA C 50 54.154 53.645 0.509 1
1 473 . 13 1 1 A 50 50 LEU CB C 50 41.344 43.286 -1.942 1
1 477 . 13 1 1 A 50 50 LEU N N 50 122.400 121.164 1.236 1
1 478 . 13 1 1 A 51 51 SER H H 51 8.563 9.140 -0.577 1
1 479 . 13 1 1 A 51 51 SER HA H 51 4.042 4.197 -0.155 1
1 481 . 13 1 1 A 51 51 SER CA C 51 60.771 61.154 -0.383 1
1 482 . 13 1 1 A 51 51 SER CB C 51 62.818 63.113 -0.295 1
1 483 . 13 1 1 A 51 51 SER N N 51 120.571 117.744 2.827 1
1 484 . 13 1 1 A 52 52 LYS H H 52 8.067 7.830 0.237 1
1 485 . 13 1 1 A 52 52 LYS HA H 52 4.324 4.234 0.090 1
1 491 . 13 1 1 A 52 52 LYS CA C 52 56.796 58.148 -1.352 1
1 492 . 13 1 1 A 52 52 LYS CB C 52 31.870 31.906 -0.036 1
1 496 . 13 1 1 A 52 52 LYS N N 52 117.675 120.702 -3.027 1
1 497 . 13 1 1 A 53 53 LYS H H 53 7.619 7.435 0.184 1
1 498 . 13 1 1 A 53 53 LYS HA H 53 4.426 4.229 0.197 1
1 504 . 13 1 1 A 53 53 LYS CA C 53 55.204 58.689 -3.485 1
1 505 . 13 1 1 A 53 53 LYS CB C 53 33.881 32.801 1.080 1
1 509 . 13 1 1 A 53 53 LYS N N 53 122.168 118.574 3.594 1
1 510 . 13 1 1 A 54 54 ALA H H 54 8.485 7.960 0.525 1
1 511 . 13 1 1 A 54 54 ALA HA H 54 4.410 3.989 0.421 1
1 515 . 13 1 1 A 54 54 ALA CA C 54 53.135 54.830 -1.695 1
1 516 . 13 1 1 A 54 54 ALA CB C 54 21.208 17.065 4.143 1
1 517 . 13 1 1 A 54 54 ALA N N 54 122.332 119.460 2.872 1
1 518 . 13 1 1 A 55 55 TRP H H 55 8.517 8.632 -0.115 1
1 519 . 13 1 1 A 55 55 TRP HA H 55 4.676 5.066 -0.390 1
1 523 . 13 1 1 A 55 55 TRP CA C 55 57.259 56.884 0.375 1
1 524 . 13 1 1 A 55 55 TRP CB C 55 30.373 31.527 -1.154 1
1 525 . 13 1 1 A 55 55 TRP N N 55 117.762 118.352 -0.590 1
1 527 . 13 1 1 A 56 56 THR H H 56 9.389 9.196 0.193 1
1 528 . 13 1 1 A 56 56 THR HA H 56 5.201 4.886 0.315 1
1 533 . 13 1 1 A 56 56 THR CA C 56 60.940 61.015 -0.075 1
1 534 . 13 1 1 A 56 56 THR CB C 56 70.961 71.940 -0.979 1
1 536 . 13 1 1 A 56 56 THR N N 56 117.434 113.502 3.932 1
1 537 . 13 1 1 A 57 57 CYS H H 57 8.665 9.193 -0.528 1
1 538 . 13 1 1 A 57 57 CYS HA H 57 4.827 4.802 0.025 1
1 541 . 13 1 1 A 57 57 CYS CA C 57 56.272 56.290 -0.018 1
1 542 . 13 1 1 A 57 57 CYS CB C 57 37.251 42.761 -5.510 1
1 543 . 13 1 1 A 57 57 CYS N N 57 126.085 123.624 2.461 1
1 544 . 13 1 1 A 58 58 ILE H H 58 9.150 9.000 0.150 1
1 545 . 13 1 1 A 58 58 ILE HA H 58 4.297 4.320 -0.023 1
1 555 . 13 1 1 A 58 58 ILE CA C 58 58.322 60.931 -2.609 1
1 556 . 13 1 1 A 58 58 ILE CB C 58 37.652 37.904 -0.252 1
1 560 . 13 1 1 A 58 58 ILE N N 58 134.435 126.818 7.617 1
1 561 . 13 1 1 A 59 59 CYS H H 59 8.204 8.559 -0.355 1
1 562 . 13 1 1 A 59 59 CYS HA H 59 5.698 4.844 0.854 1
1 565 . 13 1 1 A 59 59 CYS CA C 59 51.508 56.140 -4.632 1
1 566 . 13 1 1 A 59 59 CYS CB C 59 36.523 42.231 -5.708 1
1 567 . 13 1 1 A 59 59 CYS N N 59 121.180 126.010 -4.830 1
1 8 . 14 1 1 A 2 2 ILE H H 2 8.299 8.354 -0.055 1
1 9 . 14 1 1 A 2 2 ILE HA H 2 4.139 3.701 0.438 1
1 19 . 14 1 1 A 2 2 ILE CA C 2 61.463 65.538 -4.075 1
1 20 . 14 1 1 A 2 2 ILE CB C 2 38.545 38.112 0.433 1
1 24 . 14 1 1 A 2 2 ILE N N 2 121.433 122.426 -0.993 1
1 25 . 14 1 1 A 3 3 VAL H H 3 8.245 8.003 0.242 1
1 26 . 14 1 1 A 3 3 VAL HA H 3 4.138 3.784 0.354 1
1 34 . 14 1 1 A 3 3 VAL CA C 3 61.813 62.435 -0.622 1
1 35 . 14 1 1 A 3 3 VAL CB C 3 32.887 30.452 2.435 1
1 38 . 14 1 1 A 3 3 VAL N N 3 123.973 118.548 5.425 1
1 39 . 14 1 1 A 4 4 ASP H H 4 8.320 8.339 -0.019 1
1 40 . 14 1 1 A 4 4 ASP HA H 4 4.499 5.037 -0.538 1
1 43 . 14 1 1 A 4 4 ASP CA C 4 53.912 51.853 2.059 1
1 44 . 14 1 1 A 4 4 ASP CB C 4 41.523 42.465 -0.942 1
1 45 . 14 1 1 A 4 4 ASP N N 4 123.308 121.041 2.267 1
1 46 . 14 1 1 A 5 5 CYS H H 5 7.560 8.781 -1.221 1
1 47 . 14 1 1 A 5 5 CYS HA H 5 5.355 5.121 0.234 1
1 50 . 14 1 1 A 5 5 CYS CA C 5 54.544 55.384 -0.840 1
1 51 . 14 1 1 A 5 5 CYS CB C 5 44.815 47.488 -2.673 1
1 52 . 14 1 1 A 5 5 CYS N N 5 121.272 116.017 5.255 1
1 53 . 14 1 1 A 6 6 TRP H H 6 9.768 9.381 0.387 1
1 54 . 14 1 1 A 6 6 TRP HA H 6 4.727 5.398 -0.671 1
1 58 . 14 1 1 A 6 6 TRP CB C 6 34.880 32.805 2.075 1
1 59 . 14 1 1 A 6 6 TRP N N 6 120.939 124.689 -3.750 1
1 61 . 14 1 1 A 7 7 GLU H H 7 10.518 8.899 1.619 1
1 62 . 14 1 1 A 7 7 GLU HA H 7 4.872 4.505 0.367 1
1 66 . 14 1 1 A 7 7 GLU CA C 7 59.493 57.832 1.661 1
1 67 . 14 1 1 A 7 7 GLU CB C 7 31.264 31.326 -0.062 1
1 69 . 14 1 1 A 7 7 GLU N N 7 119.048 126.129 -7.081 1
1 70 . 14 1 1 A 8 8 THR H H 8 7.112 8.073 -0.961 1
1 71 . 14 1 1 A 8 8 THR HA H 8 4.509 4.344 0.165 1
1 76 . 14 1 1 A 8 8 THR CA C 8 57.991 62.437 -4.446 1
1 77 . 14 1 1 A 8 8 THR CB C 8 73.377 69.608 3.769 1
1 79 . 14 1 1 A 8 8 THR N N 8 103.295 113.765 -10.470 1
1 80 . 14 1 1 A 9 9 TRP H H 9 7.902 9.296 -1.394 1
1 81 . 14 1 1 A 9 9 TRP HA H 9 2.806 4.255 -1.449 1
1 85 . 14 1 1 A 9 9 TRP CA C 9 62.403 61.965 0.438 1
1 86 . 14 1 1 A 9 9 TRP CB C 9 26.876 30.061 -3.185 1
1 87 . 14 1 1 A 9 9 TRP N N 9 121.679 126.731 -5.052 1
1 89 . 14 1 1 A 10 10 SER H H 10 8.585 7.973 0.612 1
1 90 . 14 1 1 A 10 10 SER HA H 10 3.354 4.895 -1.541 1
1 93 . 14 1 1 A 10 10 SER CA C 10 61.924 57.991 3.933 1
1 94 . 14 1 1 A 10 10 SER CB C 10 62.121 64.011 -1.890 1
1 95 . 14 1 1 A 10 10 SER N N 10 114.940 113.574 1.366 1
1 96 . 14 1 1 A 11 11 ARG H H 11 7.619 8.378 -0.759 1
1 97 . 14 1 1 A 11 11 ARG HA H 11 3.797 3.985 -0.188 1
1 103 . 14 1 1 A 11 11 ARG CA C 11 58.216 59.006 -0.790 1
1 104 . 14 1 1 A 11 11 ARG CB C 11 30.189 29.574 0.615 1
1 107 . 14 1 1 A 11 11 ARG N N 11 120.414 122.216 -1.802 1
1 108 . 14 1 1 A 12 12 CYS H H 12 6.939 8.169 -1.230 1
1 109 . 14 1 1 A 12 12 CYS HA H 12 2.633 4.656 -2.023 1
1 112 . 14 1 1 A 12 12 CYS CA C 12 58.084 57.692 0.392 1
1 113 . 14 1 1 A 12 12 CYS CB C 12 41.245 43.302 -2.057 1
1 114 . 14 1 1 A 12 12 CYS N N 12 114.990 116.704 -1.714 1
1 115 . 14 1 1 A 13 13 THR H H 13 7.600 7.777 -0.177 1
1 116 . 14 1 1 A 13 13 THR HA H 13 3.346 3.901 -0.555 1
1 121 . 14 1 1 A 13 13 THR CA C 13 66.553 66.990 -0.437 1
1 122 . 14 1 1 A 13 13 THR CB C 13 68.908 68.631 0.277 1
1 124 . 14 1 1 A 13 13 THR N N 13 115.078 116.495 -1.417 1
1 125 . 14 1 1 A 14 14 LYS H H 14 7.138 7.870 -0.732 1
1 126 . 14 1 1 A 14 14 LYS HA H 14 4.141 4.464 -0.323 1
1 132 . 14 1 1 A 14 14 LYS CA C 14 56.515 55.296 1.219 1
1 133 . 14 1 1 A 14 14 LYS CB C 14 33.392 33.045 0.347 1
1 137 . 14 1 1 A 14 14 LYS N N 14 119.549 117.913 1.636 1
1 138 . 14 1 1 A 15 15 TRP H H 15 7.747 7.786 -0.039 1
1 139 . 14 1 1 A 15 15 TRP HA H 15 4.360 5.158 -0.798 1
1 143 . 14 1 1 A 15 15 TRP CA C 15 57.057 55.774 1.283 1
1 144 . 14 1 1 A 15 15 TRP CB C 15 29.949 33.470 -3.521 1
1 145 . 14 1 1 A 15 15 TRP N N 15 122.233 120.109 2.124 1
1 147 . 14 1 1 A 16 16 SER H H 16 7.845 8.810 -0.965 1
1 148 . 14 1 1 A 16 16 SER HA H 16 4.236 4.663 -0.427 1
1 151 . 14 1 1 A 16 16 SER CA C 16 57.866 56.956 0.910 1
1 152 . 14 1 1 A 16 16 SER CB C 16 64.242 64.077 0.165 1
1 153 . 14 1 1 A 16 16 SER N N 16 116.282 114.418 1.864 1
1 154 . 14 1 1 A 17 17 GLN H H 17 8.150 8.408 -0.258 1
1 155 . 14 1 1 A 17 17 GLN HA H 17 4.238 4.408 -0.170 1
1 159 . 14 1 1 A 17 17 GLN CA C 17 55.929 55.136 0.793 1
1 160 . 14 1 1 A 17 17 GLN CB C 17 29.663 29.339 0.324 1
1 162 . 14 1 1 A 17 17 GLN N N 17 122.525 123.077 -0.552 1
1 163 . 14 1 1 A 18 18 GLY H H 18 8.313 8.768 -0.455 1
1 164 . 14 1 1 A 18 18 GLY HA2 H 18 3.928 3.895 0.033 1
1 165 . 14 1 1 A 18 18 GLY N N 18 110.285 115.972 -5.687 1
1 166 . 14 1 1 A 19 19 GLY H H 19 8.241 8.578 -0.337 1
1 167 . 14 1 1 A 19 19 GLY HA2 H 19 3.939 4.012 -0.073 1
1 168 . 14 1 1 A 19 19 GLY N N 19 108.776 113.957 -5.181 1
1 169 . 14 1 1 A 20 20 THR H H 20 8.166 8.445 -0.279 1
1 170 . 14 1 1 A 20 20 THR HA H 20 4.318 3.974 0.344 1
1 175 . 14 1 1 A 20 20 THR CA C 20 61.985 62.874 -0.889 1
1 176 . 14 1 1 A 20 20 THR CB C 20 69.591 66.546 3.045 1
1 178 . 14 1 1 A 20 20 THR N N 20 113.035 118.426 -5.391 1
1 179 . 14 1 1 A 21 21 GLY H H 21 8.423 7.855 0.568 1
1 180 . 14 1 1 A 21 21 GLY HA2 H 21 3.836 3.772 0.064 1
1 181 . 14 1 1 A 21 21 GLY HA3 H 21 4.047 3.772 0.275 1
1 182 . 14 1 1 A 21 21 GLY CA C 21 45.397 47.475 -2.078 1
1 183 . 14 1 1 A 21 21 GLY N N 21 111.299 108.220 3.079 1
1 184 . 14 1 1 A 22 22 THR H H 22 7.915 8.224 -0.309 1
1 185 . 14 1 1 A 22 22 THR HA H 22 4.279 4.020 0.259 1
1 190 . 14 1 1 A 22 22 THR CA C 22 61.845 66.484 -4.639 1
1 191 . 14 1 1 A 22 22 THR CB C 22 69.755 69.147 0.608 1
1 193 . 14 1 1 A 22 22 THR N N 22 113.293 116.628 -3.335 1
1 194 . 14 1 1 A 23 23 LEU H H 23 8.132 7.615 0.517 1
1 195 . 14 1 1 A 23 23 LEU HA H 23 4.282 4.567 -0.285 1
1 205 . 14 1 1 A 23 23 LEU CA C 23 55.052 56.391 -1.339 1
1 206 . 14 1 1 A 23 23 LEU CB C 23 42.511 42.994 -0.483 1
1 210 . 14 1 1 A 23 23 LEU N N 23 124.055 117.416 6.639 1
1 211 . 14 1 1 A 24 24 TRP H H 24 8.011 7.743 0.268 1
1 212 . 14 1 1 A 24 24 TRP HA H 24 4.694 4.779 -0.085 1
1 216 . 14 1 1 A 24 24 TRP CA C 24 56.611 56.729 -0.118 1
1 217 . 14 1 1 A 24 24 TRP CB C 24 30.203 29.981 0.222 1
1 218 . 14 1 1 A 24 24 TRP N N 24 122.196 118.704 3.492 1
1 220 . 14 1 1 A 25 25 LYS H H 25 8.384 8.873 -0.489 1
1 221 . 14 1 1 A 25 25 LYS HA H 25 4.415 3.992 0.423 1
1 228 . 14 1 1 A 25 25 LYS CB C 25 34.608 31.146 3.462 1
1 232 . 14 1 1 A 25 25 LYS N N 25 122.979 122.134 0.845 1
1 233 . 14 1 1 A 26 26 SER H H 26 8.703 8.286 0.417 1
1 234 . 14 1 1 A 26 26 SER HA H 26 4.689 4.530 0.159 1
1 237 . 14 1 1 A 26 26 SER CA C 26 60.110 57.240 2.870 1
1 238 . 14 1 1 A 26 26 SER CB C 26 64.419 65.086 -0.667 1
1 239 . 14 1 1 A 26 26 SER N N 26 117.775 114.411 3.364 1
1 240 . 14 1 1 A 27 27 CYS H H 27 8.216 8.945 -0.729 1
1 241 . 14 1 1 A 27 27 CYS HA H 27 4.382 4.329 0.053 1
1 244 . 14 1 1 A 27 27 CYS CA C 27 58.151 59.412 -1.261 1
1 245 . 14 1 1 A 27 27 CYS CB C 27 36.051 41.542 -5.491 1
1 246 . 14 1 1 A 27 27 CYS N N 27 119.629 120.233 -0.604 1
1 247 . 14 1 1 A 28 28 ASN H H 28 8.640 8.297 0.343 1
1 248 . 14 1 1 A 28 28 ASN HA H 28 4.039 4.440 -0.401 1
1 251 . 14 1 1 A 28 28 ASN CA C 28 57.688 56.592 1.096 1
1 252 . 14 1 1 A 28 28 ASN CB C 28 39.578 39.054 0.524 1
1 253 . 14 1 1 A 28 28 ASN N N 28 117.431 120.090 -2.659 1
1 254 . 14 1 1 A 29 29 ASP H H 29 7.910 8.244 -0.334 1
1 255 . 14 1 1 A 29 29 ASP HA H 29 4.290 4.344 -0.054 1
1 258 . 14 1 1 A 29 29 ASP CA C 29 57.649 57.530 0.119 1
1 259 . 14 1 1 A 29 29 ASP CB C 29 40.511 41.903 -1.392 1
1 260 . 14 1 1 A 29 29 ASP N N 29 117.680 119.691 -2.011 1
1 261 . 14 1 1 A 30 30 ARG H H 30 8.559 8.349 0.210 1
1 262 . 14 1 1 A 30 30 ARG HA H 30 3.792 3.945 -0.153 1
1 267 . 14 1 1 A 30 30 ARG CA C 30 59.243 59.264 -0.021 1
1 268 . 14 1 1 A 30 30 ARG CB C 30 29.806 29.606 0.200 1
1 271 . 14 1 1 A 30 30 ARG N N 30 121.907 118.725 3.182 1
1 272 . 14 1 1 A 31 31 CYS H H 31 8.066 7.945 0.121 1
1 273 . 14 1 1 A 31 31 CYS HA H 31 4.285 4.453 -0.168 1
1 276 . 14 1 1 A 31 31 CYS CA C 31 58.396 59.773 -1.377 1
1 277 . 14 1 1 A 31 31 CYS CB C 31 36.213 42.333 -6.120 1
1 278 . 14 1 1 A 31 31 CYS N N 31 117.122 117.102 0.020 1
1 279 . 14 1 1 A 32 32 LYS H H 32 8.096 7.844 0.252 1
1 280 . 14 1 1 A 32 32 LYS HA H 32 4.402 4.007 0.395 1
1 286 . 14 1 1 A 32 32 LYS CA C 32 59.508 59.834 -0.326 1
1 287 . 14 1 1 A 32 32 LYS CB C 32 31.698 31.991 -0.293 1
1 289 . 14 1 1 A 32 32 LYS N N 32 121.727 120.437 1.290 1
1 290 . 14 1 1 A 33 33 GLU H H 33 8.131 8.911 -0.780 1
1 291 . 14 1 1 A 33 33 GLU HA H 33 4.090 4.173 -0.083 1
1 295 . 14 1 1 A 33 33 GLU CA C 33 59.018 58.414 0.604 1
1 296 . 14 1 1 A 33 33 GLU CB C 33 29.103 28.515 0.588 1
1 298 . 14 1 1 A 33 33 GLU N N 33 121.845 118.279 3.566 1
1 299 . 14 1 1 A 34 34 LEU H H 34 7.318 7.283 0.035 1
1 300 . 14 1 1 A 34 34 LEU HA H 34 4.385 4.395 -0.010 1
1 310 . 14 1 1 A 34 34 LEU CA C 34 54.830 54.855 -0.025 1
1 311 . 14 1 1 A 34 34 LEU CB C 34 42.243 42.246 -0.003 1
1 315 . 14 1 1 A 34 34 LEU N N 34 117.966 118.810 -0.844 1
1 316 . 14 1 1 A 35 35 GLY H H 35 7.931 7.993 -0.062 1
1 317 . 14 1 1 A 35 35 GLY HA2 H 35 3.793 3.946 -0.153 1
1 318 . 14 1 1 A 35 35 GLY HA3 H 35 4.251 3.946 0.305 1
1 319 . 14 1 1 A 35 35 GLY CA C 35 39.163 45.761 -6.598 1
1 320 . 14 1 1 A 35 35 GLY N N 35 107.160 107.139 0.021 1
1 321 . 14 1 1 A 36 36 ARG H H 36 7.772 7.354 0.418 1
1 322 . 14 1 1 A 36 36 ARG HA H 36 4.700 4.549 0.151 1
1 329 . 14 1 1 A 36 36 ARG CA C 36 52.697 55.144 -2.447 1
1 330 . 14 1 1 A 36 36 ARG CB C 36 27.998 32.299 -4.301 1
1 333 . 14 1 1 A 36 36 ARG N N 36 119.227 119.644 -0.417 1
1 334 . 14 1 1 A 37 37 LYS H H 37 9.057 8.749 0.308 1
1 335 . 14 1 1 A 37 37 LYS HA H 37 4.220 4.476 -0.256 1
1 342 . 14 1 1 A 37 37 LYS CA C 37 58.398 57.292 1.106 1
1 343 . 14 1 1 A 37 37 LYS CB C 37 33.797 33.509 0.288 1
1 346 . 14 1 1 A 37 37 LYS N N 37 119.506 120.085 -0.579 1
1 347 . 14 1 1 A 38 38 ARG H H 38 8.278 7.697 0.581 1
1 348 . 14 1 1 A 38 38 ARG HA H 38 4.721 4.914 -0.193 1
1 354 . 14 1 1 A 38 38 ARG CA C 38 54.582 54.411 0.171 1
1 355 . 14 1 1 A 38 38 ARG CB C 38 32.642 34.696 -2.054 1
1 358 . 14 1 1 A 38 38 ARG N N 38 113.248 117.301 -4.053 1
1 359 . 14 1 1 A 39 39 GLY H H 39 9.055 8.407 0.648 1
1 360 . 14 1 1 A 39 39 GLY HA2 H 39 3.895 4.470 -0.575 1
1 361 . 14 1 1 A 39 39 GLY HA3 H 39 5.551 4.470 1.081 1
1 362 . 14 1 1 A 39 39 GLY CA C 39 46.770 44.848 1.922 1
1 363 . 14 1 1 A 39 39 GLY N N 39 107.276 107.983 -0.707 1
1 364 . 14 1 1 A 40 40 GLN H H 40 9.453 9.008 0.445 1
1 365 . 14 1 1 A 40 40 GLN HA H 40 4.717 4.852 -0.135 1
1 370 . 14 1 1 A 40 40 GLN CA C 40 54.463 54.381 0.082 1
1 371 . 14 1 1 A 40 40 GLN CB C 40 32.364 31.997 0.367 1
1 373 . 14 1 1 A 40 40 GLN N N 40 120.430 120.580 -0.150 1
1 374 . 14 1 1 A 41 41 CYS H H 41 9.208 8.338 0.870 1
1 375 . 14 1 1 A 41 41 CYS HA H 41 5.935 4.831 1.104 1
1 378 . 14 1 1 A 41 41 CYS CA C 41 59.537 54.885 4.652 1
1 379 . 14 1 1 A 41 41 CYS CB C 41 48.386 41.498 6.888 1
1 380 . 14 1 1 A 41 41 CYS N N 41 122.768 124.947 -2.179 1
1 381 . 14 1 1 A 42 42 GLU H H 42 9.529 9.132 0.397 1
1 382 . 14 1 1 A 42 42 GLU HA H 42 5.066 4.789 0.277 1
1 386 . 14 1 1 A 42 42 GLU CA C 42 54.869 55.014 -0.145 1
1 387 . 14 1 1 A 42 42 GLU CB C 42 35.149 32.971 2.178 1
1 389 . 14 1 1 A 42 42 GLU N N 42 122.626 125.388 -2.762 1
1 390 . 14 1 1 A 43 43 GLU H H 43 8.450 8.559 -0.109 1
1 391 . 14 1 1 A 43 43 GLU HA H 43 3.973 4.375 -0.402 1
1 396 . 14 1 1 A 43 43 GLU CA C 43 55.920 55.935 -0.015 1
1 397 . 14 1 1 A 43 43 GLU CB C 43 29.068 28.723 0.345 1
1 399 . 14 1 1 A 43 43 GLU N N 43 122.712 121.525 1.187 1
1 400 . 14 1 1 A 44 44 LYS H H 44 8.051 7.863 0.188 1
1 401 . 14 1 1 A 44 44 LYS HA H 44 4.858 4.935 -0.077 1
1 408 . 14 1 1 A 44 44 LYS CA C 44 51.858 53.750 -1.892 1
1 409 . 14 1 1 A 44 44 LYS CB C 44 33.736 33.066 0.670 1
1 413 . 14 1 1 A 44 44 LYS N N 44 124.525 125.807 -1.282 1
1 414 . 14 1 1 A 45 45 PRO HA H 45 4.371 4.374 -0.003 1
1 421 . 14 1 1 A 45 45 PRO CA C 45 64.556 64.600 -0.044 1
1 422 . 14 1 1 A 45 45 PRO CB C 45 31.781 31.992 -0.211 1
1 425 . 14 1 1 A 46 46 SER H H 46 8.132 8.303 -0.171 1
1 426 . 14 1 1 A 46 46 SER HA H 46 4.119 4.289 -0.170 1
1 429 . 14 1 1 A 46 46 SER CA C 46 60.190 60.466 -0.276 1
1 430 . 14 1 1 A 46 46 SER CB C 46 62.093 63.022 -0.929 1
1 431 . 14 1 1 A 46 46 SER N N 46 109.975 112.727 -2.752 1
1 432 . 14 1 1 A 47 47 ARG H H 47 7.381 7.723 -0.342 1
1 433 . 14 1 1 A 47 47 ARG HA H 47 4.448 4.459 -0.011 1
1 438 . 14 1 1 A 47 47 ARG CA C 47 56.257 55.183 1.074 1
1 439 . 14 1 1 A 47 47 ARG CB C 47 32.699 30.124 2.575 1
1 442 . 14 1 1 A 47 47 ARG N N 47 120.043 116.846 3.197 1
1 443 . 14 1 1 A 48 48 CYS H H 48 7.864 7.443 0.421 1
1 444 . 14 1 1 A 48 48 CYS HA H 48 5.145 4.995 0.150 1
1 447 . 14 1 1 A 48 48 CYS CA C 48 52.322 53.160 -0.838 1
1 448 . 14 1 1 A 48 48 CYS CB C 48 41.255 44.392 -3.137 1
1 449 . 14 1 1 A 48 48 CYS N N 48 118.806 118.980 -0.174 1
1 450 . 14 1 1 A 49 49 PRO HA H 49 4.475 4.450 0.025 1
1 457 . 14 1 1 A 49 49 PRO CA C 49 64.149 63.642 0.507 1
1 458 . 14 1 1 A 49 49 PRO CB C 49 32.684 31.231 1.453 1
1 461 . 14 1 1 A 50 50 LEU H H 50 8.839 7.457 1.382 1
1 462 . 14 1 1 A 50 50 LEU HA H 50 4.436 4.730 -0.294 1
1 472 . 14 1 1 A 50 50 LEU CA C 50 54.154 53.936 0.218 1
1 473 . 14 1 1 A 50 50 LEU CB C 50 41.344 45.107 -3.763 1
1 477 . 14 1 1 A 50 50 LEU N N 50 122.400 120.097 2.303 1
1 478 . 14 1 1 A 51 51 SER H H 51 8.563 9.079 -0.516 1
1 479 . 14 1 1 A 51 51 SER HA H 51 4.042 4.562 -0.520 1
1 481 . 14 1 1 A 51 51 SER CA C 51 60.771 57.936 2.835 1
1 482 . 14 1 1 A 51 51 SER CB C 51 62.818 61.828 0.990 1
1 483 . 14 1 1 A 51 51 SER N N 51 120.571 120.904 -0.333 1
1 484 . 14 1 1 A 52 52 LYS H H 52 8.067 8.173 -0.106 1
1 485 . 14 1 1 A 52 52 LYS HA H 52 4.324 4.552 -0.228 1
1 491 . 14 1 1 A 52 52 LYS CA C 52 56.796 57.242 -0.446 1
1 492 . 14 1 1 A 52 52 LYS CB C 52 31.870 35.316 -3.446 1
1 496 . 14 1 1 A 52 52 LYS N N 52 117.675 121.746 -4.071 1
1 497 . 14 1 1 A 53 53 LYS H H 53 7.619 7.863 -0.244 1
1 498 . 14 1 1 A 53 53 LYS HA H 53 4.426 4.036 0.390 1
1 504 . 14 1 1 A 53 53 LYS CA C 53 55.204 58.918 -3.714 1
1 505 . 14 1 1 A 53 53 LYS CB C 53 33.881 32.549 1.332 1
1 509 . 14 1 1 A 53 53 LYS N N 53 122.168 119.200 2.968 1
1 510 . 14 1 1 A 54 54 ALA H H 54 8.485 7.694 0.791 1
1 511 . 14 1 1 A 54 54 ALA HA H 54 4.410 3.919 0.491 1
1 515 . 14 1 1 A 54 54 ALA CA C 54 53.135 54.919 -1.784 1
1 516 . 14 1 1 A 54 54 ALA CB C 54 21.208 16.907 4.301 1
1 517 . 14 1 1 A 54 54 ALA N N 54 122.332 119.083 3.249 1
1 518 . 14 1 1 A 55 55 TRP H H 55 8.517 7.891 0.626 1
1 519 . 14 1 1 A 55 55 TRP HA H 55 4.676 4.754 -0.078 1
1 523 . 14 1 1 A 55 55 TRP CA C 55 57.259 57.727 -0.468 1
1 524 . 14 1 1 A 55 55 TRP CB C 55 30.373 30.925 -0.552 1
1 525 . 14 1 1 A 55 55 TRP N N 55 117.762 118.917 -1.155 1
1 527 . 14 1 1 A 56 56 THR H H 56 9.389 9.293 0.096 1
1 528 . 14 1 1 A 56 56 THR HA H 56 5.201 4.564 0.637 1
1 533 . 14 1 1 A 56 56 THR CA C 56 60.940 60.850 0.090 1
1 534 . 14 1 1 A 56 56 THR CB C 56 70.961 70.032 0.929 1
1 536 . 14 1 1 A 56 56 THR N N 56 117.434 114.298 3.136 1
1 537 . 14 1 1 A 57 57 CYS H H 57 8.665 8.659 0.006 1
1 538 . 14 1 1 A 57 57 CYS HA H 57 4.827 4.765 0.062 1
1 541 . 14 1 1 A 57 57 CYS CA C 57 56.272 56.367 -0.095 1
1 542 . 14 1 1 A 57 57 CYS CB C 57 37.251 42.831 -5.580 1
1 543 . 14 1 1 A 57 57 CYS N N 57 126.085 123.128 2.957 1
1 544 . 14 1 1 A 58 58 ILE H H 58 9.150 9.432 -0.282 1
1 545 . 14 1 1 A 58 58 ILE HA H 58 4.297 4.337 -0.040 1
1 555 . 14 1 1 A 58 58 ILE CA C 58 58.322 60.809 -2.487 1
1 556 . 14 1 1 A 58 58 ILE CB C 58 37.652 38.120 -0.468 1
1 560 . 14 1 1 A 58 58 ILE N N 58 134.435 126.696 7.739 1
1 561 . 14 1 1 A 59 59 CYS H H 59 8.204 8.912 -0.708 1
1 562 . 14 1 1 A 59 59 CYS HA H 59 5.698 5.303 0.395 1
1 565 . 14 1 1 A 59 59 CYS CA C 59 51.508 55.470 -3.962 1
1 566 . 14 1 1 A 59 59 CYS CB C 59 36.523 44.011 -7.488 1
1 567 . 14 1 1 A 59 59 CYS N N 59 121.180 126.177 -4.997 1
1 8 . 15 1 1 A 2 2 ILE H H 2 8.299 8.317 -0.018 1
1 9 . 15 1 1 A 2 2 ILE HA H 2 4.139 4.454 -0.315 1
1 19 . 15 1 1 A 2 2 ILE CA C 2 61.463 59.395 2.068 1
1 20 . 15 1 1 A 2 2 ILE CB C 2 38.545 38.143 0.402 1
1 24 . 15 1 1 A 2 2 ILE N N 2 121.433 119.421 2.012 1
1 25 . 15 1 1 A 3 3 VAL H H 3 8.245 8.587 -0.342 1
1 26 . 15 1 1 A 3 3 VAL HA H 3 4.138 3.850 0.288 1
1 34 . 15 1 1 A 3 3 VAL CA C 3 61.813 62.502 -0.689 1
1 35 . 15 1 1 A 3 3 VAL CB C 3 32.887 30.435 2.452 1
1 38 . 15 1 1 A 3 3 VAL N N 3 123.973 119.437 4.536 1
1 39 . 15 1 1 A 4 4 ASP H H 4 8.320 7.518 0.802 1
1 40 . 15 1 1 A 4 4 ASP HA H 4 4.499 4.955 -0.456 1
1 43 . 15 1 1 A 4 4 ASP CA C 4 53.912 53.322 0.590 1
1 44 . 15 1 1 A 4 4 ASP CB C 4 41.523 44.123 -2.600 1
1 45 . 15 1 1 A 4 4 ASP N N 4 123.308 124.166 -0.858 1
1 46 . 15 1 1 A 5 5 CYS H H 5 7.560 8.542 -0.982 1
1 47 . 15 1 1 A 5 5 CYS HA H 5 5.355 5.147 0.208 1
1 50 . 15 1 1 A 5 5 CYS CA C 5 54.544 55.928 -1.384 1
1 51 . 15 1 1 A 5 5 CYS CB C 5 44.815 46.099 -1.284 1
1 52 . 15 1 1 A 5 5 CYS N N 5 121.272 118.626 2.646 1
1 53 . 15 1 1 A 6 6 TRP H H 6 9.768 8.296 1.472 1
1 54 . 15 1 1 A 6 6 TRP HA H 6 4.727 4.791 -0.064 1
1 58 . 15 1 1 A 6 6 TRP CB C 6 34.880 30.287 4.593 1
1 59 . 15 1 1 A 6 6 TRP N N 6 120.939 124.605 -3.666 1
1 61 . 15 1 1 A 7 7 GLU H H 7 10.518 7.931 2.587 1
1 62 . 15 1 1 A 7 7 GLU HA H 7 4.872 4.621 0.251 1
1 66 . 15 1 1 A 7 7 GLU CA C 7 59.493 57.678 1.815 1
1 67 . 15 1 1 A 7 7 GLU CB C 7 31.264 30.901 0.363 1
1 69 . 15 1 1 A 7 7 GLU N N 7 119.048 119.985 -0.937 1
1 70 . 15 1 1 A 8 8 THR H H 8 7.112 7.432 -0.320 1
1 71 . 15 1 1 A 8 8 THR HA H 8 4.509 4.718 -0.209 1
1 76 . 15 1 1 A 8 8 THR CA C 8 57.991 59.361 -1.370 1
1 77 . 15 1 1 A 8 8 THR CB C 8 73.377 71.796 1.581 1
1 79 . 15 1 1 A 8 8 THR N N 8 103.295 109.278 -5.983 1
1 80 . 15 1 1 A 9 9 TRP H H 9 7.902 9.088 -1.186 1
1 81 . 15 1 1 A 9 9 TRP HA H 9 2.806 4.315 -1.509 1
1 85 . 15 1 1 A 9 9 TRP CA C 9 62.403 61.724 0.679 1
1 86 . 15 1 1 A 9 9 TRP CB C 9 26.876 30.110 -3.234 1
1 87 . 15 1 1 A 9 9 TRP N N 9 121.679 124.210 -2.531 1
1 89 . 15 1 1 A 10 10 SER H H 10 8.585 8.349 0.236 1
1 90 . 15 1 1 A 10 10 SER HA H 10 3.354 4.219 -0.865 1
1 93 . 15 1 1 A 10 10 SER CA C 10 61.924 62.101 -0.177 1
1 94 . 15 1 1 A 10 10 SER CB C 10 62.121 62.718 -0.597 1
1 95 . 15 1 1 A 10 10 SER N N 10 114.940 115.088 -0.148 1
1 96 . 15 1 1 A 11 11 ARG H H 11 7.619 7.771 -0.152 1
1 97 . 15 1 1 A 11 11 ARG HA H 11 3.797 3.941 -0.144 1
1 103 . 15 1 1 A 11 11 ARG CA C 11 58.216 59.309 -1.093 1
1 104 . 15 1 1 A 11 11 ARG CB C 11 30.189 29.068 1.121 1
1 107 . 15 1 1 A 11 11 ARG N N 11 120.414 120.750 -0.336 1
1 108 . 15 1 1 A 12 12 CYS H H 12 6.939 8.257 -1.318 1
1 109 . 15 1 1 A 12 12 CYS HA H 12 2.633 4.392 -1.759 1
1 112 . 15 1 1 A 12 12 CYS CA C 12 58.084 58.912 -0.828 1
1 113 . 15 1 1 A 12 12 CYS CB C 12 41.245 42.051 -0.806 1
1 114 . 15 1 1 A 12 12 CYS N N 12 114.990 117.595 -2.605 1
1 115 . 15 1 1 A 13 13 THR H H 13 7.600 7.719 -0.119 1
1 116 . 15 1 1 A 13 13 THR HA H 13 3.346 4.061 -0.715 1
1 121 . 15 1 1 A 13 13 THR CA C 13 66.553 66.432 0.121 1
1 122 . 15 1 1 A 13 13 THR CB C 13 68.908 68.222 0.686 1
1 124 . 15 1 1 A 13 13 THR N N 13 115.078 116.780 -1.702 1
1 125 . 15 1 1 A 14 14 LYS H H 14 7.138 7.256 -0.118 1
1 126 . 15 1 1 A 14 14 LYS HA H 14 4.141 4.253 -0.112 1
1 132 . 15 1 1 A 14 14 LYS CA C 14 56.515 58.015 -1.500 1
1 133 . 15 1 1 A 14 14 LYS CB C 14 33.392 32.549 0.843 1
1 137 . 15 1 1 A 14 14 LYS N N 14 119.549 118.551 0.998 1
1 138 . 15 1 1 A 15 15 TRP H H 15 7.747 7.525 0.222 1
1 139 . 15 1 1 A 15 15 TRP HA H 15 4.360 5.261 -0.901 1
1 143 . 15 1 1 A 15 15 TRP CA C 15 57.057 56.117 0.940 1
1 144 . 15 1 1 A 15 15 TRP CB C 15 29.949 33.772 -3.823 1
1 145 . 15 1 1 A 15 15 TRP N N 15 122.233 117.055 5.178 1
1 147 . 15 1 1 A 16 16 SER H H 16 7.845 8.909 -1.064 1
1 148 . 15 1 1 A 16 16 SER HA H 16 4.236 4.829 -0.593 1
1 151 . 15 1 1 A 16 16 SER CA C 16 57.866 57.113 0.753 1
1 152 . 15 1 1 A 16 16 SER CB C 16 64.242 65.037 -0.795 1
1 153 . 15 1 1 A 16 16 SER N N 16 116.282 114.957 1.325 1
1 154 . 15 1 1 A 17 17 GLN H H 17 8.150 9.567 -1.417 1
1 155 . 15 1 1 A 17 17 GLN HA H 17 4.238 4.025 0.213 1
1 159 . 15 1 1 A 17 17 GLN CA C 17 55.929 56.864 -0.935 1
1 160 . 15 1 1 A 17 17 GLN CB C 17 29.663 26.837 2.826 1
1 162 . 15 1 1 A 17 17 GLN N N 17 122.525 118.118 4.407 1
1 163 . 15 1 1 A 18 18 GLY H H 18 8.313 8.467 -0.154 1
1 164 . 15 1 1 A 18 18 GLY HA2 H 18 3.928 3.860 0.068 1
1 165 . 15 1 1 A 18 18 GLY N N 18 110.285 104.730 5.555 1
1 166 . 15 1 1 A 19 19 GLY H H 19 8.241 7.701 0.540 1
1 167 . 15 1 1 A 19 19 GLY HA2 H 19 3.939 4.085 -0.146 1
1 168 . 15 1 1 A 19 19 GLY N N 19 108.776 107.243 1.533 1
1 169 . 15 1 1 A 20 20 THR H H 20 8.166 7.870 0.296 1
1 170 . 15 1 1 A 20 20 THR HA H 20 4.318 4.150 0.168 1
1 175 . 15 1 1 A 20 20 THR CA C 20 61.985 62.309 -0.324 1
1 176 . 15 1 1 A 20 20 THR CB C 20 69.591 67.378 2.213 1
1 178 . 15 1 1 A 20 20 THR N N 20 113.035 105.692 7.343 1
1 179 . 15 1 1 A 21 21 GLY H H 21 8.423 8.827 -0.404 1
1 180 . 15 1 1 A 21 21 GLY HA2 H 21 3.836 4.089 -0.253 1
1 181 . 15 1 1 A 21 21 GLY HA3 H 21 4.047 4.089 -0.042 1
1 182 . 15 1 1 A 21 21 GLY CA C 21 45.397 45.447 -0.050 1
1 183 . 15 1 1 A 21 21 GLY N N 21 111.299 114.705 -3.406 1
1 184 . 15 1 1 A 22 22 THR H H 22 7.915 8.850 -0.935 1
1 185 . 15 1 1 A 22 22 THR HA H 22 4.279 4.461 -0.182 1
1 190 . 15 1 1 A 22 22 THR CA C 22 61.845 62.710 -0.865 1
1 191 . 15 1 1 A 22 22 THR CB C 22 69.755 69.870 -0.115 1
1 193 . 15 1 1 A 22 22 THR N N 22 113.293 116.006 -2.713 1
1 194 . 15 1 1 A 23 23 LEU H H 23 8.132 7.769 0.363 1
1 195 . 15 1 1 A 23 23 LEU HA H 23 4.282 4.109 0.173 1
1 205 . 15 1 1 A 23 23 LEU CA C 23 55.052 57.049 -1.997 1
1 206 . 15 1 1 A 23 23 LEU CB C 23 42.511 41.814 0.697 1
1 210 . 15 1 1 A 23 23 LEU N N 23 124.055 122.697 1.358 1
1 211 . 15 1 1 A 24 24 TRP H H 24 8.011 8.014 -0.003 1
1 212 . 15 1 1 A 24 24 TRP HA H 24 4.694 4.570 0.124 1
1 216 . 15 1 1 A 24 24 TRP CA C 24 56.611 59.041 -2.430 1
1 217 . 15 1 1 A 24 24 TRP CB C 24 30.203 28.857 1.346 1
1 218 . 15 1 1 A 24 24 TRP N N 24 122.196 119.359 2.837 1
1 220 . 15 1 1 A 25 25 LYS H H 25 8.384 9.622 -1.238 1
1 221 . 15 1 1 A 25 25 LYS HA H 25 4.415 4.261 0.154 1
1 228 . 15 1 1 A 25 25 LYS CB C 25 34.608 31.439 3.169 1
1 232 . 15 1 1 A 25 25 LYS N N 25 122.979 121.527 1.452 1
1 233 . 15 1 1 A 26 26 SER H H 26 8.703 8.748 -0.045 1
1 234 . 15 1 1 A 26 26 SER HA H 26 4.689 4.444 0.245 1
1 237 . 15 1 1 A 26 26 SER CA C 26 60.110 58.995 1.115 1
1 238 . 15 1 1 A 26 26 SER CB C 26 64.419 63.698 0.721 1
1 239 . 15 1 1 A 26 26 SER N N 26 117.775 117.111 0.664 1
1 240 . 15 1 1 A 27 27 CYS H H 27 8.216 8.846 -0.630 1
1 241 . 15 1 1 A 27 27 CYS HA H 27 4.382 4.221 0.161 1
1 244 . 15 1 1 A 27 27 CYS CA C 27 58.151 59.858 -1.707 1
1 245 . 15 1 1 A 27 27 CYS CB C 27 36.051 41.688 -5.637 1
1 246 . 15 1 1 A 27 27 CYS N N 27 119.629 122.937 -3.308 1
1 247 . 15 1 1 A 28 28 ASN H H 28 8.640 8.340 0.300 1
1 248 . 15 1 1 A 28 28 ASN HA H 28 4.039 4.500 -0.461 1
1 251 . 15 1 1 A 28 28 ASN CA C 28 57.688 56.407 1.281 1
1 252 . 15 1 1 A 28 28 ASN CB C 28 39.578 39.178 0.400 1
1 253 . 15 1 1 A 28 28 ASN N N 28 117.431 119.932 -2.501 1
1 254 . 15 1 1 A 29 29 ASP H H 29 7.910 8.345 -0.435 1
1 255 . 15 1 1 A 29 29 ASP HA H 29 4.290 4.330 -0.040 1
1 258 . 15 1 1 A 29 29 ASP CA C 29 57.649 57.387 0.262 1
1 259 . 15 1 1 A 29 29 ASP CB C 29 40.511 40.927 -0.416 1
1 260 . 15 1 1 A 29 29 ASP N N 29 117.680 119.482 -1.802 1
1 261 . 15 1 1 A 30 30 ARG H H 30 8.559 7.946 0.613 1
1 262 . 15 1 1 A 30 30 ARG HA H 30 3.792 4.064 -0.272 1
1 267 . 15 1 1 A 30 30 ARG CA C 30 59.243 59.453 -0.210 1
1 268 . 15 1 1 A 30 30 ARG CB C 30 29.806 29.519 0.287 1
1 271 . 15 1 1 A 30 30 ARG N N 30 121.907 117.727 4.180 1
1 272 . 15 1 1 A 31 31 CYS H H 31 8.066 7.905 0.161 1
1 273 . 15 1 1 A 31 31 CYS HA H 31 4.285 4.426 -0.141 1
1 276 . 15 1 1 A 31 31 CYS CA C 31 58.396 60.488 -2.092 1
1 277 . 15 1 1 A 31 31 CYS CB C 31 36.213 41.175 -4.962 1
1 278 . 15 1 1 A 31 31 CYS N N 31 117.122 118.375 -1.253 1
1 279 . 15 1 1 A 32 32 LYS H H 32 8.096 7.687 0.409 1
1 280 . 15 1 1 A 32 32 LYS HA H 32 4.402 4.007 0.395 1
1 286 . 15 1 1 A 32 32 LYS CA C 32 59.508 60.136 -0.628 1
1 287 . 15 1 1 A 32 32 LYS CB C 32 31.698 32.140 -0.442 1
1 289 . 15 1 1 A 32 32 LYS N N 32 121.727 120.877 0.850 1
1 290 . 15 1 1 A 33 33 GLU H H 33 8.131 7.617 0.514 1
1 291 . 15 1 1 A 33 33 GLU HA H 33 4.090 4.207 -0.117 1
1 295 . 15 1 1 A 33 33 GLU CA C 33 59.018 58.509 0.509 1
1 296 . 15 1 1 A 33 33 GLU CB C 33 29.103 29.361 -0.258 1
1 298 . 15 1 1 A 33 33 GLU N N 33 121.845 119.572 2.273 1
1 299 . 15 1 1 A 34 34 LEU H H 34 7.318 7.315 0.003 1
1 300 . 15 1 1 A 34 34 LEU HA H 34 4.385 4.462 -0.077 1
1 310 . 15 1 1 A 34 34 LEU CA C 34 54.830 54.637 0.193 1
1 311 . 15 1 1 A 34 34 LEU CB C 34 42.243 42.355 -0.112 1
1 315 . 15 1 1 A 34 34 LEU N N 34 117.966 117.566 0.400 1
1 316 . 15 1 1 A 35 35 GLY H H 35 7.931 7.972 -0.041 1
1 317 . 15 1 1 A 35 35 GLY HA2 H 35 3.793 3.971 -0.178 1
1 318 . 15 1 1 A 35 35 GLY HA3 H 35 4.251 3.971 0.280 1
1 319 . 15 1 1 A 35 35 GLY CA C 35 39.163 46.285 -7.122 1
1 320 . 15 1 1 A 35 35 GLY N N 35 107.160 108.062 -0.902 1
1 321 . 15 1 1 A 36 36 ARG H H 36 7.772 7.699 0.073 1
1 322 . 15 1 1 A 36 36 ARG HA H 36 4.700 4.606 0.094 1
1 329 . 15 1 1 A 36 36 ARG CA C 36 52.697 54.694 -1.997 1
1 330 . 15 1 1 A 36 36 ARG CB C 36 27.998 32.107 -4.109 1
1 333 . 15 1 1 A 36 36 ARG N N 36 119.227 118.970 0.257 1
1 334 . 15 1 1 A 37 37 LYS H H 37 9.057 8.880 0.177 1
1 335 . 15 1 1 A 37 37 LYS HA H 37 4.220 4.355 -0.135 1
1 342 . 15 1 1 A 37 37 LYS CA C 37 58.398 57.775 0.623 1
1 343 . 15 1 1 A 37 37 LYS CB C 37 33.797 33.102 0.695 1
1 346 . 15 1 1 A 37 37 LYS N N 37 119.506 121.101 -1.595 1
1 347 . 15 1 1 A 38 38 ARG H H 38 8.278 7.782 0.496 1
1 348 . 15 1 1 A 38 38 ARG HA H 38 4.721 4.701 0.020 1
1 354 . 15 1 1 A 38 38 ARG CA C 38 54.582 54.679 -0.097 1
1 355 . 15 1 1 A 38 38 ARG CB C 38 32.642 33.222 -0.580 1
1 358 . 15 1 1 A 38 38 ARG N N 38 113.248 114.338 -1.090 1
1 359 . 15 1 1 A 39 39 GLY H H 39 9.055 8.503 0.552 1
1 360 . 15 1 1 A 39 39 GLY HA2 H 39 3.895 4.346 -0.451 1
1 361 . 15 1 1 A 39 39 GLY HA3 H 39 5.551 4.346 1.205 1
1 362 . 15 1 1 A 39 39 GLY CA C 39 46.770 44.854 1.916 1
1 363 . 15 1 1 A 39 39 GLY N N 39 107.276 106.295 0.981 1
1 364 . 15 1 1 A 40 40 GLN H H 40 9.453 8.680 0.773 1
1 365 . 15 1 1 A 40 40 GLN HA H 40 4.717 4.581 0.136 1
1 370 . 15 1 1 A 40 40 GLN CA C 40 54.463 54.119 0.344 1
1 371 . 15 1 1 A 40 40 GLN CB C 40 32.364 29.024 3.340 1
1 373 . 15 1 1 A 40 40 GLN N N 40 120.430 121.801 -1.371 1
1 374 . 15 1 1 A 41 41 CYS H H 41 9.208 8.205 1.003 1
1 375 . 15 1 1 A 41 41 CYS HA H 41 5.935 5.417 0.518 1
1 378 . 15 1 1 A 41 41 CYS CA C 41 59.537 53.672 5.865 1
1 379 . 15 1 1 A 41 41 CYS CB C 41 48.386 44.251 4.135 1
1 380 . 15 1 1 A 41 41 CYS N N 41 122.768 117.146 5.622 1
1 381 . 15 1 1 A 42 42 GLU H H 42 9.529 8.281 1.248 1
1 382 . 15 1 1 A 42 42 GLU HA H 42 5.066 4.792 0.274 1
1 386 . 15 1 1 A 42 42 GLU CA C 42 54.869 54.278 0.591 1
1 387 . 15 1 1 A 42 42 GLU CB C 42 35.149 32.952 2.197 1
1 389 . 15 1 1 A 42 42 GLU N N 42 122.626 123.090 -0.464 1
1 390 . 15 1 1 A 43 43 GLU H H 43 8.450 8.504 -0.054 1
1 391 . 15 1 1 A 43 43 GLU HA H 43 3.973 3.931 0.042 1
1 396 . 15 1 1 A 43 43 GLU CA C 43 55.920 59.353 -3.433 1
1 397 . 15 1 1 A 43 43 GLU CB C 43 29.068 29.481 -0.413 1
1 399 . 15 1 1 A 43 43 GLU N N 43 122.712 123.121 -0.409 1
1 400 . 15 1 1 A 44 44 LYS H H 44 8.051 7.390 0.661 1
1 401 . 15 1 1 A 44 44 LYS HA H 44 4.858 4.002 0.856 1
1 408 . 15 1 1 A 44 44 LYS CA C 44 51.858 56.691 -4.833 1
1 409 . 15 1 1 A 44 44 LYS CB C 44 33.736 30.921 2.815 1
1 413 . 15 1 1 A 44 44 LYS N N 44 124.525 118.476 6.049 1
1 414 . 15 1 1 A 45 45 PRO HA H 45 4.371 4.444 -0.073 1
1 421 . 15 1 1 A 45 45 PRO CA C 45 64.556 64.340 0.216 1
1 422 . 15 1 1 A 45 45 PRO CB C 45 31.781 31.845 -0.064 1
1 425 . 15 1 1 A 46 46 SER H H 46 8.132 8.363 -0.231 1
1 426 . 15 1 1 A 46 46 SER HA H 46 4.119 4.210 -0.091 1
1 429 . 15 1 1 A 46 46 SER CA C 46 60.190 61.423 -1.233 1
1 430 . 15 1 1 A 46 46 SER CB C 46 62.093 63.058 -0.965 1
1 431 . 15 1 1 A 46 46 SER N N 46 109.975 113.704 -3.729 1
1 432 . 15 1 1 A 47 47 ARG H H 47 7.381 7.465 -0.084 1
1 433 . 15 1 1 A 47 47 ARG HA H 47 4.448 4.388 0.060 1
1 438 . 15 1 1 A 47 47 ARG CA C 47 56.257 55.600 0.657 1
1 439 . 15 1 1 A 47 47 ARG CB C 47 32.699 29.978 2.721 1
1 442 . 15 1 1 A 47 47 ARG N N 47 120.043 115.449 4.594 1
1 443 . 15 1 1 A 48 48 CYS H H 48 7.864 7.267 0.597 1
1 444 . 15 1 1 A 48 48 CYS HA H 48 5.145 4.949 0.196 1
1 447 . 15 1 1 A 48 48 CYS CA C 48 52.322 52.864 -0.542 1
1 448 . 15 1 1 A 48 48 CYS CB C 48 41.255 44.399 -3.144 1
1 449 . 15 1 1 A 48 48 CYS N N 48 118.806 118.508 0.298 1
1 450 . 15 1 1 A 49 49 PRO HA H 49 4.475 4.460 0.015 1
1 457 . 15 1 1 A 49 49 PRO CA C 49 64.149 64.364 -0.215 1
1 458 . 15 1 1 A 49 49 PRO CB C 49 32.684 32.086 0.598 1
1 461 . 15 1 1 A 50 50 LEU H H 50 8.839 7.739 1.100 1
1 462 . 15 1 1 A 50 50 LEU HA H 50 4.436 4.514 -0.078 1
1 472 . 15 1 1 A 50 50 LEU CA C 50 54.154 54.071 0.083 1
1 473 . 15 1 1 A 50 50 LEU CB C 50 41.344 41.581 -0.237 1
1 477 . 15 1 1 A 50 50 LEU N N 50 122.400 119.934 2.466 1
1 478 . 15 1 1 A 51 51 SER H H 51 8.563 8.748 -0.185 1
1 479 . 15 1 1 A 51 51 SER HA H 51 4.042 4.084 -0.042 1
1 481 . 15 1 1 A 51 51 SER CA C 51 60.771 62.008 -1.237 1
1 482 . 15 1 1 A 51 51 SER CB C 51 62.818 63.166 -0.348 1
1 483 . 15 1 1 A 51 51 SER N N 51 120.571 121.221 -0.650 1
1 484 . 15 1 1 A 52 52 LYS H H 52 8.067 7.974 0.093 1
1 485 . 15 1 1 A 52 52 LYS HA H 52 4.324 4.147 0.177 1
1 491 . 15 1 1 A 52 52 LYS CA C 52 56.796 58.435 -1.639 1
1 492 . 15 1 1 A 52 52 LYS CB C 52 31.870 32.498 -0.628 1
1 496 . 15 1 1 A 52 52 LYS N N 52 117.675 121.403 -3.728 1
1 497 . 15 1 1 A 53 53 LYS H H 53 7.619 7.779 -0.160 1
1 498 . 15 1 1 A 53 53 LYS HA H 53 4.426 4.422 0.004 1
1 504 . 15 1 1 A 53 53 LYS CA C 53 55.204 58.015 -2.811 1
1 505 . 15 1 1 A 53 53 LYS CB C 53 33.881 33.479 0.402 1
1 509 . 15 1 1 A 53 53 LYS N N 53 122.168 117.304 4.864 1
1 510 . 15 1 1 A 54 54 ALA H H 54 8.485 8.205 0.280 1
1 511 . 15 1 1 A 54 54 ALA HA H 54 4.410 4.013 0.397 1
1 515 . 15 1 1 A 54 54 ALA CA C 54 53.135 53.061 0.074 1
1 516 . 15 1 1 A 54 54 ALA CB C 54 21.208 17.562 3.646 1
1 517 . 15 1 1 A 54 54 ALA N N 54 122.332 119.987 2.345 1
1 518 . 15 1 1 A 55 55 TRP H H 55 8.517 7.800 0.717 1
1 519 . 15 1 1 A 55 55 TRP HA H 55 4.676 4.931 -0.255 1
1 523 . 15 1 1 A 55 55 TRP CA C 55 57.259 57.507 -0.248 1
1 524 . 15 1 1 A 55 55 TRP CB C 55 30.373 32.214 -1.841 1
1 525 . 15 1 1 A 55 55 TRP N N 55 117.762 120.028 -2.266 1
1 527 . 15 1 1 A 56 56 THR H H 56 9.389 9.271 0.118 1
1 528 . 15 1 1 A 56 56 THR HA H 56 5.201 4.876 0.325 1
1 533 . 15 1 1 A 56 56 THR CA C 56 60.940 59.249 1.691 1
1 534 . 15 1 1 A 56 56 THR CB C 56 70.961 71.145 -0.184 1
1 536 . 15 1 1 A 56 56 THR N N 56 117.434 120.961 -3.527 1
1 537 . 15 1 1 A 57 57 CYS H H 57 8.665 8.456 0.209 1
1 538 . 15 1 1 A 57 57 CYS HA H 57 4.827 5.154 -0.327 1
1 541 . 15 1 1 A 57 57 CYS CA C 57 56.272 54.657 1.615 1
1 542 . 15 1 1 A 57 57 CYS CB C 57 37.251 43.647 -6.396 1
1 543 . 15 1 1 A 57 57 CYS N N 57 126.085 120.651 5.434 1
1 544 . 15 1 1 A 58 58 ILE H H 58 9.150 9.524 -0.374 1
1 545 . 15 1 1 A 58 58 ILE HA H 58 4.297 4.489 -0.192 1
1 555 . 15 1 1 A 58 58 ILE CA C 58 58.322 60.567 -2.245 1
1 556 . 15 1 1 A 58 58 ILE CB C 58 37.652 38.001 -0.349 1
1 560 . 15 1 1 A 58 58 ILE N N 58 134.435 125.002 9.433 1
1 561 . 15 1 1 A 59 59 CYS H H 59 8.204 8.355 -0.151 1
1 562 . 15 1 1 A 59 59 CYS HA H 59 5.698 4.614 1.084 1
1 565 . 15 1 1 A 59 59 CYS CA C 59 51.508 56.734 -5.226 1
1 566 . 15 1 1 A 59 59 CYS CB C 59 36.523 41.899 -5.376 1
1 567 . 15 1 1 A 59 59 CYS N N 59 121.180 126.170 -4.990 1
1 8 . 16 1 1 A 2 2 ILE H H 2 8.299 8.447 -0.148 1
1 9 . 16 1 1 A 2 2 ILE HA H 2 4.139 nan 4.139 1
1 19 . 16 1 1 A 2 2 ILE CA C 2 61.463 58.898 2.565 1
1 20 . 16 1 1 A 2 2 ILE CB C 2 38.545 40.888 -2.343 1
1 24 . 16 1 1 A 2 2 ILE N N 2 121.433 117.044 4.389 1
1 25 . 16 1 1 A 3 3 VAL H H 3 8.245 8.462 -0.217 1
1 26 . 16 1 1 A 3 3 VAL HA H 3 4.138 nan 4.138 1
1 34 . 16 1 1 A 3 3 VAL CA C 3 61.813 62.469 -0.656 1
1 35 . 16 1 1 A 3 3 VAL CB C 3 32.887 30.608 2.279 1
1 38 . 16 1 1 A 3 3 VAL N N 3 123.973 119.431 4.542 1
1 39 . 16 1 1 A 4 4 ASP H H 4 8.320 8.068 0.252 1
1 40 . 16 1 1 A 4 4 ASP HA H 4 4.499 nan 4.499 1
1 43 . 16 1 1 A 4 4 ASP CA C 4 53.912 53.463 0.449 1
1 44 . 16 1 1 A 4 4 ASP CB C 4 41.523 44.801 -3.278 1
1 45 . 16 1 1 A 4 4 ASP N N 4 123.308 120.968 2.340 1
1 46 . 16 1 1 A 5 5 CYS H H 5 7.560 9.098 -1.538 1
1 47 . 16 1 1 A 5 5 CYS HA H 5 5.355 nan 5.355 1
1 50 . 16 1 1 A 5 5 CYS CA C 5 54.544 54.035 0.509 1
1 51 . 16 1 1 A 5 5 CYS CB C 5 44.815 47.453 -2.638 1
1 52 . 16 1 1 A 5 5 CYS N N 5 121.272 118.722 2.550 1
1 53 . 16 1 1 A 6 6 TRP H H 6 9.768 8.848 0.920 1
1 54 . 16 1 1 A 6 6 TRP HA H 6 4.727 nan 4.727 1
1 58 . 16 1 1 A 6 6 TRP CB C 6 34.880 33.561 1.319 1
1 59 . 16 1 1 A 6 6 TRP N N 6 120.939 120.174 0.765 1
1 61 . 16 1 1 A 7 7 GLU H H 7 10.518 9.632 0.886 1
1 62 . 16 1 1 A 7 7 GLU HA H 7 4.872 nan 4.872 1
1 66 . 16 1 1 A 7 7 GLU CA C 7 59.493 58.072 1.421 1
1 67 . 16 1 1 A 7 7 GLU CB C 7 31.264 30.392 0.872 1
1 69 . 16 1 1 A 7 7 GLU N N 7 119.048 121.636 -2.588 1
1 70 . 16 1 1 A 8 8 THR H H 8 7.112 7.710 -0.598 1
1 71 . 16 1 1 A 8 8 THR HA H 8 4.509 nan 4.509 1
1 76 . 16 1 1 A 8 8 THR CA C 8 57.991 60.731 -2.740 1
1 77 . 16 1 1 A 8 8 THR CB C 8 73.377 70.764 2.613 1
1 79 . 16 1 1 A 8 8 THR N N 8 103.295 110.912 -7.617 1
1 80 . 16 1 1 A 9 9 TRP H H 9 7.902 9.098 -1.196 1
1 81 . 16 1 1 A 9 9 TRP HA H 9 2.806 nan 2.806 1
1 85 . 16 1 1 A 9 9 TRP CA C 9 62.403 61.848 0.555 1
1 86 . 16 1 1 A 9 9 TRP CB C 9 26.876 30.397 -3.521 1
1 87 . 16 1 1 A 9 9 TRP N N 9 121.679 124.569 -2.890 1
1 89 . 16 1 1 A 10 10 SER H H 10 8.585 8.373 0.212 1
1 90 . 16 1 1 A 10 10 SER HA H 10 3.354 nan 3.354 1
1 93 . 16 1 1 A 10 10 SER CA C 10 61.924 62.310 -0.386 1
1 94 . 16 1 1 A 10 10 SER CB C 10 62.121 62.890 -0.769 1
1 95 . 16 1 1 A 10 10 SER N N 10 114.940 115.777 -0.837 1
1 96 . 16 1 1 A 11 11 ARG H H 11 7.619 7.848 -0.229 1
1 97 . 16 1 1 A 11 11 ARG HA H 11 3.797 nan 3.797 1
1 103 . 16 1 1 A 11 11 ARG CA C 11 58.216 58.876 -0.660 1
1 104 . 16 1 1 A 11 11 ARG CB C 11 30.189 29.274 0.915 1
1 107 . 16 1 1 A 11 11 ARG N N 11 120.414 120.458 -0.044 1
1 108 . 16 1 1 A 12 12 CYS H H 12 6.939 8.090 -1.151 1
1 109 . 16 1 1 A 12 12 CYS HA H 12 2.633 nan 2.633 1
1 112 . 16 1 1 A 12 12 CYS CA C 12 58.084 59.879 -1.795 1
1 113 . 16 1 1 A 12 12 CYS CB C 12 41.245 41.762 -0.517 1
1 114 . 16 1 1 A 12 12 CYS N N 12 114.990 117.854 -2.864 1
1 115 . 16 1 1 A 13 13 THR H H 13 7.600 8.032 -0.432 1
1 116 . 16 1 1 A 13 13 THR HA H 13 3.346 nan 3.346 1
1 121 . 16 1 1 A 13 13 THR CA C 13 66.553 64.781 1.772 1
1 122 . 16 1 1 A 13 13 THR CB C 13 68.908 69.245 -0.337 1
1 124 . 16 1 1 A 13 13 THR N N 13 115.078 112.278 2.800 1
1 125 . 16 1 1 A 14 14 LYS H H 14 7.138 8.070 -0.932 1
1 126 . 16 1 1 A 14 14 LYS HA H 14 4.141 nan 4.141 1
1 132 . 16 1 1 A 14 14 LYS CA C 14 56.515 57.870 -1.355 1
1 133 . 16 1 1 A 14 14 LYS CB C 14 33.392 33.419 -0.027 1
1 137 . 16 1 1 A 14 14 LYS N N 14 119.549 119.624 -0.075 1
1 138 . 16 1 1 A 15 15 TRP H H 15 7.747 7.747 0.000 1
1 139 . 16 1 1 A 15 15 TRP HA H 15 4.360 nan 4.360 1
1 143 . 16 1 1 A 15 15 TRP CA C 15 57.057 55.676 1.381 1
1 144 . 16 1 1 A 15 15 TRP CB C 15 29.949 32.997 -3.048 1
1 145 . 16 1 1 A 15 15 TRP N N 15 122.233 118.243 3.990 1
1 147 . 16 1 1 A 16 16 SER H H 16 7.845 9.453 -1.608 1
1 148 . 16 1 1 A 16 16 SER HA H 16 4.236 nan 4.236 1
1 151 . 16 1 1 A 16 16 SER CA C 16 57.866 58.193 -0.327 1
1 152 . 16 1 1 A 16 16 SER CB C 16 64.242 66.002 -1.760 1
1 153 . 16 1 1 A 16 16 SER N N 16 116.282 117.751 -1.469 1
1 154 . 16 1 1 A 17 17 GLN H H 17 8.150 9.074 -0.924 1
1 155 . 16 1 1 A 17 17 GLN HA H 17 4.238 nan 4.238 1
1 159 . 16 1 1 A 17 17 GLN CA C 17 55.929 59.601 -3.672 1
1 160 . 16 1 1 A 17 17 GLN CB C 17 29.663 28.103 1.560 1
1 162 . 16 1 1 A 17 17 GLN N N 17 122.525 126.901 -4.376 1
1 163 . 16 1 1 A 18 18 GLY H H 18 8.313 8.790 -0.477 1
1 164 . 16 1 1 A 18 18 GLY HA2 H 18 3.928 3.959 -0.031 1
1 165 . 16 1 1 A 18 18 GLY N N 18 110.285 106.679 3.606 1
1 166 . 16 1 1 A 19 19 GLY H H 19 8.241 8.486 -0.245 1
1 167 . 16 1 1 A 19 19 GLY HA2 H 19 3.939 3.967 -0.028 1
1 168 . 16 1 1 A 19 19 GLY N N 19 108.776 109.852 -1.076 1
1 169 . 16 1 1 A 20 20 THR H H 20 8.166 7.882 0.284 1
1 170 . 16 1 1 A 20 20 THR HA H 20 4.318 nan 4.318 1
1 175 . 16 1 1 A 20 20 THR CA C 20 61.985 65.715 -3.730 1
1 176 . 16 1 1 A 20 20 THR CB C 20 69.591 67.057 2.534 1
1 178 . 16 1 1 A 20 20 THR N N 20 113.035 109.036 3.999 1
1 179 . 16 1 1 A 21 21 GLY H H 21 8.423 8.937 -0.514 1
1 180 . 16 1 1 A 21 21 GLY HA2 H 21 3.836 4.230 -0.394 1
1 181 . 16 1 1 A 21 21 GLY HA3 H 21 4.047 4.230 -0.183 1
1 182 . 16 1 1 A 21 21 GLY CA C 21 45.397 45.566 -0.169 1
1 183 . 16 1 1 A 21 21 GLY N N 21 111.299 109.044 2.255 1
1 184 . 16 1 1 A 22 22 THR H H 22 7.915 8.457 -0.542 1
1 185 . 16 1 1 A 22 22 THR HA H 22 4.279 nan 4.279 1
1 190 . 16 1 1 A 22 22 THR CA C 22 61.845 63.020 -1.175 1
1 191 . 16 1 1 A 22 22 THR CB C 22 69.755 70.233 -0.478 1
1 193 . 16 1 1 A 22 22 THR N N 22 113.293 118.289 -4.996 1
1 194 . 16 1 1 A 23 23 LEU H H 23 8.132 7.910 0.222 1
1 195 . 16 1 1 A 23 23 LEU HA H 23 4.282 nan 4.282 1
1 205 . 16 1 1 A 23 23 LEU CA C 23 55.052 54.341 0.711 1
1 206 . 16 1 1 A 23 23 LEU CB C 23 42.511 41.567 0.944 1
1 210 . 16 1 1 A 23 23 LEU N N 23 124.055 119.292 4.763 1
1 211 . 16 1 1 A 24 24 TRP H H 24 8.011 7.856 0.155 1
1 212 . 16 1 1 A 24 24 TRP HA H 24 4.694 nan 4.694 1
1 216 . 16 1 1 A 24 24 TRP CA C 24 56.611 59.839 -3.228 1
1 217 . 16 1 1 A 24 24 TRP CB C 24 30.203 30.131 0.072 1
1 218 . 16 1 1 A 24 24 TRP N N 24 122.196 121.504 0.692 1
1 220 . 16 1 1 A 25 25 LYS H H 25 8.384 7.028 1.356 1
1 221 . 16 1 1 A 25 25 LYS HA H 25 4.415 nan 4.415 1
1 228 . 16 1 1 A 25 25 LYS CB C 25 34.608 31.215 3.393 1
1 232 . 16 1 1 A 25 25 LYS N N 25 122.979 115.776 7.203 1
1 233 . 16 1 1 A 26 26 SER H H 26 8.703 7.731 0.972 1
1 234 . 16 1 1 A 26 26 SER HA H 26 4.689 nan 4.689 1
1 237 . 16 1 1 A 26 26 SER CA C 26 60.110 57.094 3.016 1
1 238 . 16 1 1 A 26 26 SER CB C 26 64.419 65.197 -0.778 1
1 239 . 16 1 1 A 26 26 SER N N 26 117.775 111.216 6.559 1
1 240 . 16 1 1 A 27 27 CYS H H 27 8.216 8.907 -0.691 1
1 241 . 16 1 1 A 27 27 CYS HA H 27 4.382 nan 4.382 1
1 244 . 16 1 1 A 27 27 CYS CA C 27 58.151 59.987 -1.836 1
1 245 . 16 1 1 A 27 27 CYS CB C 27 36.051 42.054 -6.003 1
1 246 . 16 1 1 A 27 27 CYS N N 27 119.629 124.704 -5.075 1
1 247 . 16 1 1 A 28 28 ASN H H 28 8.640 8.055 0.585 1
1 248 . 16 1 1 A 28 28 ASN HA H 28 4.039 nan 4.039 1
1 251 . 16 1 1 A 28 28 ASN CA C 28 57.688 56.618 1.070 1
1 252 . 16 1 1 A 28 28 ASN CB C 28 39.578 38.950 0.628 1
1 253 . 16 1 1 A 28 28 ASN N N 28 117.431 119.815 -2.384 1
1 254 . 16 1 1 A 29 29 ASP H H 29 7.910 7.884 0.026 1
1 255 . 16 1 1 A 29 29 ASP HA H 29 4.290 nan 4.290 1
1 258 . 16 1 1 A 29 29 ASP CA C 29 57.649 57.415 0.234 1
1 259 . 16 1 1 A 29 29 ASP CB C 29 40.511 41.122 -0.611 1
1 260 . 16 1 1 A 29 29 ASP N N 29 117.680 119.445 -1.765 1
1 261 . 16 1 1 A 30 30 ARG H H 30 8.559 8.482 0.077 1
1 262 . 16 1 1 A 30 30 ARG HA H 30 3.792 nan 3.792 1
1 267 . 16 1 1 A 30 30 ARG CA C 30 59.243 59.557 -0.314 1
1 268 . 16 1 1 A 30 30 ARG CB C 30 29.806 29.639 0.167 1
1 271 . 16 1 1 A 30 30 ARG N N 30 121.907 117.902 4.005 1
1 272 . 16 1 1 A 31 31 CYS H H 31 8.066 8.286 -0.220 1
1 273 . 16 1 1 A 31 31 CYS HA H 31 4.285 nan 4.285 1
1 276 . 16 1 1 A 31 31 CYS CA C 31 58.396 60.962 -2.566 1
1 277 . 16 1 1 A 31 31 CYS CB C 31 36.213 41.601 -5.388 1
1 278 . 16 1 1 A 31 31 CYS N N 31 117.122 118.600 -1.478 1
1 279 . 16 1 1 A 32 32 LYS H H 32 8.096 7.586 0.510 1
1 280 . 16 1 1 A 32 32 LYS HA H 32 4.402 nan 4.402 1
1 286 . 16 1 1 A 32 32 LYS CA C 32 59.508 59.687 -0.179 1
1 287 . 16 1 1 A 32 32 LYS CB C 32 31.698 32.011 -0.313 1
1 289 . 16 1 1 A 32 32 LYS N N 32 121.727 120.045 1.682 1
1 290 . 16 1 1 A 33 33 GLU H H 33 8.131 7.889 0.242 1
1 291 . 16 1 1 A 33 33 GLU HA H 33 4.090 nan 4.090 1
1 295 . 16 1 1 A 33 33 GLU CA C 33 59.018 58.752 0.266 1
1 296 . 16 1 1 A 33 33 GLU CB C 33 29.103 29.313 -0.210 1
1 298 . 16 1 1 A 33 33 GLU N N 33 121.845 119.641 2.204 1
1 299 . 16 1 1 A 34 34 LEU H H 34 7.318 7.419 -0.101 1
1 300 . 16 1 1 A 34 34 LEU HA H 34 4.385 nan 4.385 1
1 310 . 16 1 1 A 34 34 LEU CA C 34 54.830 54.945 -0.115 1
1 311 . 16 1 1 A 34 34 LEU CB C 34 42.243 42.398 -0.155 1
1 315 . 16 1 1 A 34 34 LEU N N 34 117.966 118.197 -0.231 1
1 316 . 16 1 1 A 35 35 GLY H H 35 7.931 7.981 -0.050 1
1 317 . 16 1 1 A 35 35 GLY HA2 H 35 3.793 4.013 -0.220 1
1 318 . 16 1 1 A 35 35 GLY HA3 H 35 4.251 4.013 0.238 1
1 319 . 16 1 1 A 35 35 GLY CA C 35 39.163 45.712 -6.549 1
1 320 . 16 1 1 A 35 35 GLY N N 35 107.160 106.674 0.486 1
1 321 . 16 1 1 A 36 36 ARG H H 36 7.772 7.396 0.376 1
1 322 . 16 1 1 A 36 36 ARG HA H 36 4.700 nan 4.700 1
1 329 . 16 1 1 A 36 36 ARG CA C 36 52.697 54.701 -2.004 1
1 330 . 16 1 1 A 36 36 ARG CB C 36 27.998 32.724 -4.726 1
1 333 . 16 1 1 A 36 36 ARG N N 36 119.227 119.642 -0.415 1
1 334 . 16 1 1 A 37 37 LYS H H 37 9.057 9.056 0.001 1
1 335 . 16 1 1 A 37 37 LYS HA H 37 4.220 nan 4.220 1
1 342 . 16 1 1 A 37 37 LYS CA C 37 58.398 57.442 0.956 1
1 343 . 16 1 1 A 37 37 LYS CB C 37 33.797 35.771 -1.974 1
1 346 . 16 1 1 A 37 37 LYS N N 37 119.506 122.330 -2.824 1
1 347 . 16 1 1 A 38 38 ARG H H 38 8.278 7.858 0.420 1
1 348 . 16 1 1 A 38 38 ARG HA H 38 4.721 nan 4.721 1
1 354 . 16 1 1 A 38 38 ARG CA C 38 54.582 54.134 0.448 1
1 355 . 16 1 1 A 38 38 ARG CB C 38 32.642 32.656 -0.014 1
1 358 . 16 1 1 A 38 38 ARG N N 38 113.248 118.940 -5.692 1
1 359 . 16 1 1 A 39 39 GLY H H 39 9.055 8.654 0.401 1
1 360 . 16 1 1 A 39 39 GLY HA2 H 39 3.895 4.355 -0.460 1
1 361 . 16 1 1 A 39 39 GLY HA3 H 39 5.551 4.355 1.196 1
1 362 . 16 1 1 A 39 39 GLY CA C 39 46.770 44.991 1.779 1
1 363 . 16 1 1 A 39 39 GLY N N 39 107.276 108.519 -1.243 1
1 364 . 16 1 1 A 40 40 GLN H H 40 9.453 9.064 0.389 1
1 365 . 16 1 1 A 40 40 GLN HA H 40 4.717 nan 4.717 1
1 370 . 16 1 1 A 40 40 GLN CA C 40 54.463 55.439 -0.976 1
1 371 . 16 1 1 A 40 40 GLN CB C 40 32.364 30.260 2.104 1
1 373 . 16 1 1 A 40 40 GLN N N 40 120.430 124.237 -3.807 1
1 374 . 16 1 1 A 41 41 CYS H H 41 9.208 7.740 1.468 1
1 375 . 16 1 1 A 41 41 CYS HA H 41 5.935 nan 5.935 1
1 378 . 16 1 1 A 41 41 CYS CA C 41 59.537 53.774 5.763 1
1 379 . 16 1 1 A 41 41 CYS CB C 41 48.386 43.040 5.346 1
1 380 . 16 1 1 A 41 41 CYS N N 41 122.768 116.919 5.849 1
1 381 . 16 1 1 A 42 42 GLU H H 42 9.529 8.372 1.157 1
1 382 . 16 1 1 A 42 42 GLU HA H 42 5.066 nan 5.066 1
1 386 . 16 1 1 A 42 42 GLU CA C 42 54.869 54.510 0.359 1
1 387 . 16 1 1 A 42 42 GLU CB C 42 35.149 32.636 2.513 1
1 389 . 16 1 1 A 42 42 GLU N N 42 122.626 123.553 -0.927 1
1 390 . 16 1 1 A 43 43 GLU H H 43 8.450 8.174 0.276 1
1 391 . 16 1 1 A 43 43 GLU HA H 43 3.973 nan 3.973 1
1 396 . 16 1 1 A 43 43 GLU CA C 43 55.920 59.546 -3.626 1
1 397 . 16 1 1 A 43 43 GLU CB C 43 29.068 29.360 -0.292 1
1 399 . 16 1 1 A 43 43 GLU N N 43 122.712 125.190 -2.478 1
1 400 . 16 1 1 A 44 44 LYS H H 44 8.051 7.791 0.260 1
1 401 . 16 1 1 A 44 44 LYS HA H 44 4.858 nan 4.858 1
1 408 . 16 1 1 A 44 44 LYS CA C 44 51.858 56.626 -4.768 1
1 409 . 16 1 1 A 44 44 LYS CB C 44 33.736 31.058 2.678 1
1 413 . 16 1 1 A 44 44 LYS N N 44 124.525 118.140 6.385 1
1 414 . 16 1 1 A 45 45 PRO HA H 45 4.371 nan 4.371 1
1 421 . 16 1 1 A 45 45 PRO CA C 45 64.556 62.960 1.596 1
1 422 . 16 1 1 A 45 45 PRO CB C 45 31.781 32.442 -0.661 1
1 425 . 16 1 1 A 46 46 SER H H 46 8.132 8.629 -0.497 1
1 426 . 16 1 1 A 46 46 SER HA H 46 4.119 nan 4.119 1
1 429 . 16 1 1 A 46 46 SER CA C 46 60.190 60.100 0.090 1
1 430 . 16 1 1 A 46 46 SER CB C 46 62.093 61.740 0.353 1
1 431 . 16 1 1 A 46 46 SER N N 46 109.975 111.814 -1.839 1
1 432 . 16 1 1 A 47 47 ARG H H 47 7.381 7.942 -0.561 1
1 433 . 16 1 1 A 47 47 ARG HA H 47 4.448 nan 4.448 1
1 438 . 16 1 1 A 47 47 ARG CA C 47 56.257 55.431 0.826 1
1 439 . 16 1 1 A 47 47 ARG CB C 47 32.699 30.889 1.810 1
1 442 . 16 1 1 A 47 47 ARG N N 47 120.043 118.779 1.264 1
1 443 . 16 1 1 A 48 48 CYS H H 48 7.864 7.584 0.280 1
1 444 . 16 1 1 A 48 48 CYS HA H 48 5.145 nan 5.145 1
1 447 . 16 1 1 A 48 48 CYS CA C 48 52.322 52.905 -0.583 1
1 448 . 16 1 1 A 48 48 CYS CB C 48 41.255 44.270 -3.015 1
1 449 . 16 1 1 A 48 48 CYS N N 48 118.806 120.162 -1.356 1
1 450 . 16 1 1 A 49 49 PRO HA H 49 4.475 nan 4.475 1
1 457 . 16 1 1 A 49 49 PRO CA C 49 64.149 65.287 -1.138 1
1 458 . 16 1 1 A 49 49 PRO CB C 49 32.684 31.780 0.904 1
1 461 . 16 1 1 A 50 50 LEU H H 50 8.839 7.666 1.173 1
1 462 . 16 1 1 A 50 50 LEU HA H 50 4.436 nan 4.436 1
1 472 . 16 1 1 A 50 50 LEU CA C 50 54.154 52.790 1.364 1
1 473 . 16 1 1 A 50 50 LEU CB C 50 41.344 45.347 -4.003 1
1 477 . 16 1 1 A 50 50 LEU N N 50 122.400 117.865 4.535 1
1 478 . 16 1 1 A 51 51 SER H H 51 8.563 8.631 -0.068 1
1 479 . 16 1 1 A 51 51 SER HA H 51 4.042 nan 4.042 1
1 481 . 16 1 1 A 51 51 SER CA C 51 60.771 60.623 0.148 1
1 482 . 16 1 1 A 51 51 SER CB C 51 62.818 61.883 0.935 1
1 483 . 16 1 1 A 51 51 SER N N 51 120.571 112.788 7.783 1
1 484 . 16 1 1 A 52 52 LYS H H 52 8.067 8.637 -0.570 1
1 485 . 16 1 1 A 52 52 LYS HA H 52 4.324 nan 4.324 1
1 491 . 16 1 1 A 52 52 LYS CA C 52 56.796 56.042 0.754 1
1 492 . 16 1 1 A 52 52 LYS CB C 52 31.870 32.675 -0.805 1
1 496 . 16 1 1 A 52 52 LYS N N 52 117.675 122.199 -4.524 1
1 497 . 16 1 1 A 53 53 LYS H H 53 7.619 7.729 -0.110 1
1 498 . 16 1 1 A 53 53 LYS HA H 53 4.426 nan 4.426 1
1 504 . 16 1 1 A 53 53 LYS CA C 53 55.204 59.327 -4.123 1
1 505 . 16 1 1 A 53 53 LYS CB C 53 33.881 32.272 1.609 1
1 509 . 16 1 1 A 53 53 LYS N N 53 122.168 120.260 1.908 1
1 510 . 16 1 1 A 54 54 ALA H H 54 8.485 7.523 0.962 1
1 511 . 16 1 1 A 54 54 ALA HA H 54 4.410 nan 4.410 1
1 515 . 16 1 1 A 54 54 ALA CA C 54 53.135 55.164 -2.029 1
1 516 . 16 1 1 A 54 54 ALA CB C 54 21.208 17.286 3.922 1
1 517 . 16 1 1 A 54 54 ALA N N 54 122.332 119.733 2.599 1
1 518 . 16 1 1 A 55 55 TRP H H 55 8.517 8.446 0.071 1
1 519 . 16 1 1 A 55 55 TRP HA H 55 4.676 nan 4.676 1
1 523 . 16 1 1 A 55 55 TRP CA C 55 57.259 58.797 -1.538 1
1 524 . 16 1 1 A 55 55 TRP CB C 55 30.373 30.028 0.345 1
1 525 . 16 1 1 A 55 55 TRP N N 55 117.762 119.496 -1.734 1
1 527 . 16 1 1 A 56 56 THR H H 56 9.389 9.193 0.196 1
1 528 . 16 1 1 A 56 56 THR HA H 56 5.201 nan 5.201 1
1 533 . 16 1 1 A 56 56 THR CA C 56 60.940 59.558 1.382 1
1 534 . 16 1 1 A 56 56 THR CB C 56 70.961 71.368 -0.407 1
1 536 . 16 1 1 A 56 56 THR N N 56 117.434 118.484 -1.050 1
1 537 . 16 1 1 A 57 57 CYS H H 57 8.665 8.617 0.048 1
1 538 . 16 1 1 A 57 57 CYS HA H 57 4.827 nan 4.827 1
1 541 . 16 1 1 A 57 57 CYS CA C 57 56.272 55.368 0.904 1
1 542 . 16 1 1 A 57 57 CYS CB C 57 37.251 43.177 -5.926 1
1 543 . 16 1 1 A 57 57 CYS N N 57 126.085 123.096 2.989 1
1 544 . 16 1 1 A 58 58 ILE H H 58 9.150 8.651 0.499 1
1 545 . 16 1 1 A 58 58 ILE HA H 58 4.297 nan 4.297 1
1 555 . 16 1 1 A 58 58 ILE CA C 58 58.322 61.594 -3.272 1
1 556 . 16 1 1 A 58 58 ILE CB C 58 37.652 36.851 0.801 1
1 560 . 16 1 1 A 58 58 ILE N N 58 134.435 125.714 8.721 1
1 561 . 16 1 1 A 59 59 CYS H H 59 8.204 8.333 -0.129 1
1 562 . 16 1 1 A 59 59 CYS HA H 59 5.698 nan 5.698 1
1 565 . 16 1 1 A 59 59 CYS CA C 59 51.508 56.461 -4.953 1
1 566 . 16 1 1 A 59 59 CYS CB C 59 36.523 42.188 -5.665 1
1 567 . 16 1 1 A 59 59 CYS N N 59 121.180 127.152 -5.972 1
1 8 . 17 1 1 A 2 2 ILE H H 2 8.299 8.809 -0.510 1
1 9 . 17 1 1 A 2 2 ILE HA H 2 4.139 nan 4.139 1
1 19 . 17 1 1 A 2 2 ILE CA C 2 61.463 60.580 0.883 1
1 20 . 17 1 1 A 2 2 ILE CB C 2 38.545 38.767 -0.222 1
1 24 . 17 1 1 A 2 2 ILE N N 2 121.433 127.422 -5.989 1
1 25 . 17 1 1 A 3 3 VAL H H 3 8.245 7.796 0.449 1
1 26 . 17 1 1 A 3 3 VAL HA H 3 4.138 nan 4.138 1
1 34 . 17 1 1 A 3 3 VAL CA C 3 61.813 63.386 -1.573 1
1 35 . 17 1 1 A 3 3 VAL CB C 3 32.887 30.845 2.042 1
1 38 . 17 1 1 A 3 3 VAL N N 3 123.973 120.273 3.700 1
1 39 . 17 1 1 A 4 4 ASP H H 4 8.320 8.650 -0.330 1
1 40 . 17 1 1 A 4 4 ASP HA H 4 4.499 nan 4.499 1
1 43 . 17 1 1 A 4 4 ASP CA C 4 53.912 53.066 0.846 1
1 44 . 17 1 1 A 4 4 ASP CB C 4 41.523 44.319 -2.796 1
1 45 . 17 1 1 A 4 4 ASP N N 4 123.308 122.419 0.889 1
1 46 . 17 1 1 A 5 5 CYS H H 5 7.560 9.332 -1.772 1
1 47 . 17 1 1 A 5 5 CYS HA H 5 5.355 nan 5.355 1
1 50 . 17 1 1 A 5 5 CYS CA C 5 54.544 56.045 -1.501 1
1 51 . 17 1 1 A 5 5 CYS CB C 5 44.815 45.290 -0.475 1
1 52 . 17 1 1 A 5 5 CYS N N 5 121.272 116.476 4.796 1
1 53 . 17 1 1 A 6 6 TRP H H 6 9.768 8.986 0.782 1
1 54 . 17 1 1 A 6 6 TRP HA H 6 4.727 nan 4.727 1
1 58 . 17 1 1 A 6 6 TRP CB C 6 34.880 33.529 1.351 1
1 59 . 17 1 1 A 6 6 TRP N N 6 120.939 122.694 -1.755 1
1 61 . 17 1 1 A 7 7 GLU H H 7 10.518 8.852 1.666 1
1 62 . 17 1 1 A 7 7 GLU HA H 7 4.872 nan 4.872 1
1 66 . 17 1 1 A 7 7 GLU CA C 7 59.493 59.414 0.079 1
1 67 . 17 1 1 A 7 7 GLU CB C 7 31.264 29.691 1.573 1
1 69 . 17 1 1 A 7 7 GLU N N 7 119.048 122.906 -3.858 1
1 70 . 17 1 1 A 8 8 THR H H 8 7.112 7.893 -0.781 1
1 71 . 17 1 1 A 8 8 THR HA H 8 4.509 nan 4.509 1
1 76 . 17 1 1 A 8 8 THR CA C 8 57.991 62.764 -4.773 1
1 77 . 17 1 1 A 8 8 THR CB C 8 73.377 69.243 4.134 1
1 79 . 17 1 1 A 8 8 THR N N 8 103.295 114.186 -10.891 1
1 80 . 17 1 1 A 9 9 TRP H H 9 7.902 8.878 -0.976 1
1 81 . 17 1 1 A 9 9 TRP HA H 9 2.806 nan 2.806 1
1 85 . 17 1 1 A 9 9 TRP CA C 9 62.403 61.578 0.825 1
1 86 . 17 1 1 A 9 9 TRP CB C 9 26.876 30.306 -3.430 1
1 87 . 17 1 1 A 9 9 TRP N N 9 121.679 128.974 -7.295 1
1 89 . 17 1 1 A 10 10 SER H H 10 8.585 8.424 0.161 1
1 90 . 17 1 1 A 10 10 SER HA H 10 3.354 nan 3.354 1
1 93 . 17 1 1 A 10 10 SER CA C 10 61.924 61.449 0.475 1
1 94 . 17 1 1 A 10 10 SER CB C 10 62.121 62.317 -0.196 1
1 95 . 17 1 1 A 10 10 SER N N 10 114.940 114.080 0.860 1
1 96 . 17 1 1 A 11 11 ARG H H 11 7.619 7.511 0.108 1
1 97 . 17 1 1 A 11 11 ARG HA H 11 3.797 nan 3.797 1
1 103 . 17 1 1 A 11 11 ARG CA C 11 58.216 59.506 -1.290 1
1 104 . 17 1 1 A 11 11 ARG CB C 11 30.189 29.618 0.571 1
1 107 . 17 1 1 A 11 11 ARG N N 11 120.414 121.038 -0.624 1
1 108 . 17 1 1 A 12 12 CYS H H 12 6.939 7.984 -1.045 1
1 109 . 17 1 1 A 12 12 CYS HA H 12 2.633 nan 2.633 1
1 112 . 17 1 1 A 12 12 CYS CA C 12 58.084 58.813 -0.729 1
1 113 . 17 1 1 A 12 12 CYS CB C 12 41.245 42.139 -0.894 1
1 114 . 17 1 1 A 12 12 CYS N N 12 114.990 118.318 -3.328 1
1 115 . 17 1 1 A 13 13 THR H H 13 7.600 7.528 0.072 1
1 116 . 17 1 1 A 13 13 THR HA H 13 3.346 nan 3.346 1
1 121 . 17 1 1 A 13 13 THR CA C 13 66.553 65.227 1.326 1
1 122 . 17 1 1 A 13 13 THR CB C 13 68.908 69.198 -0.290 1
1 124 . 17 1 1 A 13 13 THR N N 13 115.078 115.420 -0.342 1
1 125 . 17 1 1 A 14 14 LYS H H 14 7.138 7.878 -0.740 1
1 126 . 17 1 1 A 14 14 LYS HA H 14 4.141 nan 4.141 1
1 132 . 17 1 1 A 14 14 LYS CA C 14 56.515 56.715 -0.200 1
1 133 . 17 1 1 A 14 14 LYS CB C 14 33.392 34.420 -1.028 1
1 137 . 17 1 1 A 14 14 LYS N N 14 119.549 118.227 1.322 1
1 138 . 17 1 1 A 15 15 TRP H H 15 7.747 8.252 -0.505 1
1 139 . 17 1 1 A 15 15 TRP HA H 15 4.360 nan 4.360 1
1 143 . 17 1 1 A 15 15 TRP CA C 15 57.057 56.810 0.247 1
1 144 . 17 1 1 A 15 15 TRP CB C 15 29.949 30.166 -0.217 1
1 145 . 17 1 1 A 15 15 TRP N N 15 122.233 118.923 3.310 1
1 147 . 17 1 1 A 16 16 SER H H 16 7.845 8.939 -1.094 1
1 148 . 17 1 1 A 16 16 SER HA H 16 4.236 nan 4.236 1
1 151 . 17 1 1 A 16 16 SER CA C 16 57.866 58.064 -0.198 1
1 152 . 17 1 1 A 16 16 SER CB C 16 64.242 64.701 -0.459 1
1 153 . 17 1 1 A 16 16 SER N N 16 116.282 114.280 2.002 1
1 154 . 17 1 1 A 17 17 GLN H H 17 8.150 8.425 -0.275 1
1 155 . 17 1 1 A 17 17 GLN HA H 17 4.238 nan 4.238 1
1 159 . 17 1 1 A 17 17 GLN CA C 17 55.929 54.209 1.720 1
1 160 . 17 1 1 A 17 17 GLN CB C 17 29.663 30.514 -0.851 1
1 162 . 17 1 1 A 17 17 GLN N N 17 122.525 121.917 0.608 1
1 163 . 17 1 1 A 18 18 GLY H H 18 8.313 8.505 -0.192 1
1 164 . 17 1 1 A 18 18 GLY HA2 H 18 3.928 3.880 0.048 1
1 165 . 17 1 1 A 18 18 GLY N N 18 110.285 109.467 0.818 1
1 166 . 17 1 1 A 19 19 GLY H H 19 8.241 8.030 0.211 1
1 167 . 17 1 1 A 19 19 GLY HA2 H 19 3.939 3.922 0.017 1
1 168 . 17 1 1 A 19 19 GLY N N 19 108.776 109.093 -0.317 1
1 169 . 17 1 1 A 20 20 THR H H 20 8.166 8.269 -0.103 1
1 170 . 17 1 1 A 20 20 THR HA H 20 4.318 nan 4.318 1
1 175 . 17 1 1 A 20 20 THR CA C 20 61.985 65.268 -3.283 1
1 176 . 17 1 1 A 20 20 THR CB C 20 69.591 66.588 3.003 1
1 178 . 17 1 1 A 20 20 THR N N 20 113.035 109.786 3.249 1
1 179 . 17 1 1 A 21 21 GLY H H 21 8.423 8.355 0.068 1
1 180 . 17 1 1 A 21 21 GLY HA2 H 21 3.836 4.126 -0.290 1
1 181 . 17 1 1 A 21 21 GLY HA3 H 21 4.047 4.126 -0.079 1
1 182 . 17 1 1 A 21 21 GLY CA C 21 45.397 44.991 0.406 1
1 183 . 17 1 1 A 21 21 GLY N N 21 111.299 109.633 1.666 1
1 184 . 17 1 1 A 22 22 THR H H 22 7.915 8.876 -0.961 1
1 185 . 17 1 1 A 22 22 THR HA H 22 4.279 nan 4.279 1
1 190 . 17 1 1 A 22 22 THR CA C 22 61.845 63.200 -1.355 1
1 191 . 17 1 1 A 22 22 THR CB C 22 69.755 67.707 2.048 1
1 193 . 17 1 1 A 22 22 THR N N 22 113.293 116.659 -3.366 1
1 194 . 17 1 1 A 23 23 LEU H H 23 8.132 8.354 -0.222 1
1 195 . 17 1 1 A 23 23 LEU HA H 23 4.282 nan 4.282 1
1 205 . 17 1 1 A 23 23 LEU CA C 23 55.052 55.911 -0.859 1
1 206 . 17 1 1 A 23 23 LEU CB C 23 42.511 40.203 2.308 1
1 210 . 17 1 1 A 23 23 LEU N N 23 124.055 113.750 10.305 1
1 211 . 17 1 1 A 24 24 TRP H H 24 8.011 7.716 0.295 1
1 212 . 17 1 1 A 24 24 TRP HA H 24 4.694 nan 4.694 1
1 216 . 17 1 1 A 24 24 TRP CA C 24 56.611 56.879 -0.268 1
1 217 . 17 1 1 A 24 24 TRP CB C 24 30.203 31.127 -0.924 1
1 218 . 17 1 1 A 24 24 TRP N N 24 122.196 117.417 4.779 1
1 220 . 17 1 1 A 25 25 LYS H H 25 8.384 8.556 -0.172 1
1 221 . 17 1 1 A 25 25 LYS HA H 25 4.415 nan 4.415 1
1 228 . 17 1 1 A 25 25 LYS CB C 25 34.608 36.909 -2.301 1
1 232 . 17 1 1 A 25 25 LYS N N 25 122.979 121.287 1.692 1
1 233 . 17 1 1 A 26 26 SER H H 26 8.703 8.718 -0.015 1
1 234 . 17 1 1 A 26 26 SER HA H 26 4.689 nan 4.689 1
1 237 . 17 1 1 A 26 26 SER CA C 26 60.110 57.002 3.108 1
1 238 . 17 1 1 A 26 26 SER CB C 26 64.419 65.627 -1.208 1
1 239 . 17 1 1 A 26 26 SER N N 26 117.775 113.765 4.010 1
1 240 . 17 1 1 A 27 27 CYS H H 27 8.216 8.713 -0.497 1
1 241 . 17 1 1 A 27 27 CYS HA H 27 4.382 nan 4.382 1
1 244 . 17 1 1 A 27 27 CYS CA C 27 58.151 60.248 -2.097 1
1 245 . 17 1 1 A 27 27 CYS CB C 27 36.051 41.671 -5.620 1
1 246 . 17 1 1 A 27 27 CYS N N 27 119.629 120.271 -0.642 1
1 247 . 17 1 1 A 28 28 ASN H H 28 8.640 8.433 0.207 1
1 248 . 17 1 1 A 28 28 ASN HA H 28 4.039 nan 4.039 1
1 251 . 17 1 1 A 28 28 ASN CA C 28 57.688 56.755 0.933 1
1 252 . 17 1 1 A 28 28 ASN CB C 28 39.578 39.533 0.045 1
1 253 . 17 1 1 A 28 28 ASN N N 28 117.431 120.115 -2.684 1
1 254 . 17 1 1 A 29 29 ASP H H 29 7.910 8.389 -0.479 1
1 255 . 17 1 1 A 29 29 ASP HA H 29 4.290 nan 4.290 1
1 258 . 17 1 1 A 29 29 ASP CA C 29 57.649 57.393 0.256 1
1 259 . 17 1 1 A 29 29 ASP CB C 29 40.511 40.974 -0.463 1
1 260 . 17 1 1 A 29 29 ASP N N 29 117.680 119.470 -1.790 1
1 261 . 17 1 1 A 30 30 ARG H H 30 8.559 8.320 0.239 1
1 262 . 17 1 1 A 30 30 ARG HA H 30 3.792 nan 3.792 1
1 267 . 17 1 1 A 30 30 ARG CA C 30 59.243 59.679 -0.436 1
1 268 . 17 1 1 A 30 30 ARG CB C 30 29.806 29.657 0.149 1
1 271 . 17 1 1 A 30 30 ARG N N 30 121.907 117.812 4.095 1
1 272 . 17 1 1 A 31 31 CYS H H 31 8.066 8.251 -0.185 1
1 273 . 17 1 1 A 31 31 CYS HA H 31 4.285 nan 4.285 1
1 276 . 17 1 1 A 31 31 CYS CA C 31 58.396 61.347 -2.951 1
1 277 . 17 1 1 A 31 31 CYS CB C 31 36.213 42.160 -5.947 1
1 278 . 17 1 1 A 31 31 CYS N N 31 117.122 118.717 -1.595 1
1 279 . 17 1 1 A 32 32 LYS H H 32 8.096 8.136 -0.040 1
1 280 . 17 1 1 A 32 32 LYS HA H 32 4.402 nan 4.402 1
1 286 . 17 1 1 A 32 32 LYS CA C 32 59.508 59.928 -0.420 1
1 287 . 17 1 1 A 32 32 LYS CB C 32 31.698 32.396 -0.698 1
1 289 . 17 1 1 A 32 32 LYS N N 32 121.727 120.222 1.505 1
1 290 . 17 1 1 A 33 33 GLU H H 33 8.131 8.639 -0.508 1
1 291 . 17 1 1 A 33 33 GLU HA H 33 4.090 nan 4.090 1
1 295 . 17 1 1 A 33 33 GLU CA C 33 59.018 59.034 -0.016 1
1 296 . 17 1 1 A 33 33 GLU CB C 33 29.103 28.386 0.717 1
1 298 . 17 1 1 A 33 33 GLU N N 33 121.845 118.581 3.264 1
1 299 . 17 1 1 A 34 34 LEU H H 34 7.318 7.308 0.010 1
1 300 . 17 1 1 A 34 34 LEU HA H 34 4.385 nan 4.385 1
1 310 . 17 1 1 A 34 34 LEU CA C 34 54.830 55.240 -0.410 1
1 311 . 17 1 1 A 34 34 LEU CB C 34 42.243 42.439 -0.196 1
1 315 . 17 1 1 A 34 34 LEU N N 34 117.966 119.000 -1.034 1
1 316 . 17 1 1 A 35 35 GLY H H 35 7.931 8.156 -0.225 1
1 317 . 17 1 1 A 35 35 GLY HA2 H 35 3.793 3.991 -0.198 1
1 318 . 17 1 1 A 35 35 GLY HA3 H 35 4.251 3.991 0.260 1
1 319 . 17 1 1 A 35 35 GLY CA C 35 39.163 46.305 -7.142 1
1 320 . 17 1 1 A 35 35 GLY N N 35 107.160 108.024 -0.864 1
1 321 . 17 1 1 A 36 36 ARG H H 36 7.772 8.251 -0.479 1
1 322 . 17 1 1 A 36 36 ARG HA H 36 4.700 nan 4.700 1
1 329 . 17 1 1 A 36 36 ARG CA C 36 52.697 54.182 -1.485 1
1 330 . 17 1 1 A 36 36 ARG CB C 36 27.998 33.278 -5.280 1
1 333 . 17 1 1 A 36 36 ARG N N 36 119.227 119.250 -0.023 1
1 334 . 17 1 1 A 37 37 LYS H H 37 9.057 8.890 0.167 1
1 335 . 17 1 1 A 37 37 LYS HA H 37 4.220 nan 4.220 1
1 342 . 17 1 1 A 37 37 LYS CA C 37 58.398 57.592 0.806 1
1 343 . 17 1 1 A 37 37 LYS CB C 37 33.797 34.510 -0.713 1
1 346 . 17 1 1 A 37 37 LYS N N 37 119.506 122.678 -3.172 1
1 347 . 17 1 1 A 38 38 ARG H H 38 8.278 8.047 0.231 1
1 348 . 17 1 1 A 38 38 ARG HA H 38 4.721 nan 4.721 1
1 354 . 17 1 1 A 38 38 ARG CA C 38 54.582 55.182 -0.600 1
1 355 . 17 1 1 A 38 38 ARG CB C 38 32.642 33.416 -0.774 1
1 358 . 17 1 1 A 38 38 ARG N N 38 113.248 116.098 -2.850 1
1 359 . 17 1 1 A 39 39 GLY H H 39 9.055 8.567 0.488 1
1 360 . 17 1 1 A 39 39 GLY HA2 H 39 3.895 4.549 -0.654 1
1 361 . 17 1 1 A 39 39 GLY HA3 H 39 5.551 4.549 1.002 1
1 362 . 17 1 1 A 39 39 GLY CA C 39 46.770 44.957 1.813 1
1 363 . 17 1 1 A 39 39 GLY N N 39 107.276 107.312 -0.036 1
1 364 . 17 1 1 A 40 40 GLN H H 40 9.453 8.865 0.588 1
1 365 . 17 1 1 A 40 40 GLN HA H 40 4.717 nan 4.717 1
1 370 . 17 1 1 A 40 40 GLN CA C 40 54.463 54.241 0.222 1
1 371 . 17 1 1 A 40 40 GLN CB C 40 32.364 32.377 -0.013 1
1 373 . 17 1 1 A 40 40 GLN N N 40 120.430 116.344 4.086 1
1 374 . 17 1 1 A 41 41 CYS H H 41 9.208 7.894 1.314 1
1 375 . 17 1 1 A 41 41 CYS HA H 41 5.935 nan 5.935 1
1 378 . 17 1 1 A 41 41 CYS CA C 41 59.537 54.628 4.909 1
1 379 . 17 1 1 A 41 41 CYS CB C 41 48.386 41.640 6.746 1
1 380 . 17 1 1 A 41 41 CYS N N 41 122.768 119.916 2.852 1
1 381 . 17 1 1 A 42 42 GLU H H 42 9.529 9.173 0.356 1
1 382 . 17 1 1 A 42 42 GLU HA H 42 5.066 nan 5.066 1
1 386 . 17 1 1 A 42 42 GLU CA C 42 54.869 54.652 0.217 1
1 387 . 17 1 1 A 42 42 GLU CB C 42 35.149 32.505 2.644 1
1 389 . 17 1 1 A 42 42 GLU N N 42 122.626 125.565 -2.939 1
1 390 . 17 1 1 A 43 43 GLU H H 43 8.450 8.489 -0.039 1
1 391 . 17 1 1 A 43 43 GLU HA H 43 3.973 nan 3.973 1
1 396 . 17 1 1 A 43 43 GLU CA C 43 55.920 56.038 -0.118 1
1 397 . 17 1 1 A 43 43 GLU CB C 43 29.068 28.441 0.627 1
1 399 . 17 1 1 A 43 43 GLU N N 43 122.712 120.871 1.841 1
1 400 . 17 1 1 A 44 44 LYS H H 44 8.051 7.774 0.277 1
1 401 . 17 1 1 A 44 44 LYS HA H 44 4.858 nan 4.858 1
1 408 . 17 1 1 A 44 44 LYS CA C 44 51.858 53.055 -1.197 1
1 409 . 17 1 1 A 44 44 LYS CB C 44 33.736 33.236 0.500 1
1 413 . 17 1 1 A 44 44 LYS N N 44 124.525 124.160 0.365 1
1 414 . 17 1 1 A 45 45 PRO HA H 45 4.371 nan 4.371 1
1 421 . 17 1 1 A 45 45 PRO CA C 45 64.556 63.915 0.641 1
1 422 . 17 1 1 A 45 45 PRO CB C 45 31.781 32.703 -0.922 1
1 425 . 17 1 1 A 46 46 SER H H 46 8.132 8.263 -0.131 1
1 426 . 17 1 1 A 46 46 SER HA H 46 4.119 nan 4.119 1
1 429 . 17 1 1 A 46 46 SER CA C 46 60.190 60.144 0.046 1
1 430 . 17 1 1 A 46 46 SER CB C 46 62.093 62.841 -0.748 1
1 431 . 17 1 1 A 46 46 SER N N 46 109.975 113.300 -3.325 1
1 432 . 17 1 1 A 47 47 ARG H H 47 7.381 8.038 -0.657 1
1 433 . 17 1 1 A 47 47 ARG HA H 47 4.448 nan 4.448 1
1 438 . 17 1 1 A 47 47 ARG CA C 47 56.257 57.410 -1.153 1
1 439 . 17 1 1 A 47 47 ARG CB C 47 32.699 31.249 1.450 1
1 442 . 17 1 1 A 47 47 ARG N N 47 120.043 120.089 -0.046 1
1 443 . 17 1 1 A 48 48 CYS H H 48 7.864 7.779 0.085 1
1 444 . 17 1 1 A 48 48 CYS HA H 48 5.145 nan 5.145 1
1 447 . 17 1 1 A 48 48 CYS CA C 48 52.322 52.817 -0.495 1
1 448 . 17 1 1 A 48 48 CYS CB C 48 41.255 44.093 -2.838 1
1 449 . 17 1 1 A 48 48 CYS N N 48 118.806 116.811 1.995 1
1 450 . 17 1 1 A 49 49 PRO HA H 49 4.475 nan 4.475 1
1 457 . 17 1 1 A 49 49 PRO CA C 49 64.149 63.474 0.675 1
1 458 . 17 1 1 A 49 49 PRO CB C 49 32.684 31.863 0.821 1
1 461 . 17 1 1 A 50 50 LEU H H 50 8.839 7.856 0.983 1
1 462 . 17 1 1 A 50 50 LEU HA H 50 4.436 nan 4.436 1
1 472 . 17 1 1 A 50 50 LEU CA C 50 54.154 54.332 -0.178 1
1 473 . 17 1 1 A 50 50 LEU CB C 50 41.344 41.877 -0.533 1
1 477 . 17 1 1 A 50 50 LEU N N 50 122.400 121.258 1.142 1
1 478 . 17 1 1 A 51 51 SER H H 51 8.563 8.985 -0.422 1
1 479 . 17 1 1 A 51 51 SER HA H 51 4.042 nan 4.042 1
1 481 . 17 1 1 A 51 51 SER CA C 51 60.771 61.988 -1.217 1
1 482 . 17 1 1 A 51 51 SER CB C 51 62.818 62.985 -0.167 1
1 483 . 17 1 1 A 51 51 SER N N 51 120.571 118.433 2.138 1
1 484 . 17 1 1 A 52 52 LYS H H 52 8.067 7.986 0.081 1
1 485 . 17 1 1 A 52 52 LYS HA H 52 4.324 nan 4.324 1
1 491 . 17 1 1 A 52 52 LYS CA C 52 56.796 59.171 -2.375 1
1 492 . 17 1 1 A 52 52 LYS CB C 52 31.870 32.306 -0.436 1
1 496 . 17 1 1 A 52 52 LYS N N 52 117.675 121.384 -3.709 1
1 497 . 17 1 1 A 53 53 LYS H H 53 7.619 7.975 -0.356 1
1 498 . 17 1 1 A 53 53 LYS HA H 53 4.426 nan 4.426 1
1 504 . 17 1 1 A 53 53 LYS CA C 53 55.204 56.326 -1.122 1
1 505 . 17 1 1 A 53 53 LYS CB C 53 33.881 32.396 1.485 1
1 509 . 17 1 1 A 53 53 LYS N N 53 122.168 118.074 4.094 1
1 510 . 17 1 1 A 54 54 ALA H H 54 8.485 7.716 0.769 1
1 511 . 17 1 1 A 54 54 ALA HA H 54 4.410 nan 4.410 1
1 515 . 17 1 1 A 54 54 ALA CA C 54 53.135 51.757 1.378 1
1 516 . 17 1 1 A 54 54 ALA CB C 54 21.208 17.285 3.923 1
1 517 . 17 1 1 A 54 54 ALA N N 54 122.332 122.891 -0.559 1
1 518 . 17 1 1 A 55 55 TRP H H 55 8.517 8.199 0.318 1
1 519 . 17 1 1 A 55 55 TRP HA H 55 4.676 nan 4.676 1
1 523 . 17 1 1 A 55 55 TRP CA C 55 57.259 55.580 1.679 1
1 524 . 17 1 1 A 55 55 TRP CB C 55 30.373 29.984 0.389 1
1 525 . 17 1 1 A 55 55 TRP N N 55 117.762 120.644 -2.882 1
1 527 . 17 1 1 A 56 56 THR H H 56 9.389 9.067 0.322 1
1 528 . 17 1 1 A 56 56 THR HA H 56 5.201 nan 5.201 1
1 533 . 17 1 1 A 56 56 THR CA C 56 60.940 60.995 -0.055 1
1 534 . 17 1 1 A 56 56 THR CB C 56 70.961 70.374 0.587 1
1 536 . 17 1 1 A 56 56 THR N N 56 117.434 118.731 -1.297 1
1 537 . 17 1 1 A 57 57 CYS H H 57 8.665 9.243 -0.578 1
1 538 . 17 1 1 A 57 57 CYS HA H 57 4.827 nan 4.827 1
1 541 . 17 1 1 A 57 57 CYS CA C 57 56.272 55.950 0.322 1
1 542 . 17 1 1 A 57 57 CYS CB C 57 37.251 42.337 -5.086 1
1 543 . 17 1 1 A 57 57 CYS N N 57 126.085 125.434 0.651 1
1 544 . 17 1 1 A 58 58 ILE H H 58 9.150 8.547 0.603 1
1 545 . 17 1 1 A 58 58 ILE HA H 58 4.297 nan 4.297 1
1 555 . 17 1 1 A 58 58 ILE CA C 58 58.322 61.219 -2.897 1
1 556 . 17 1 1 A 58 58 ILE CB C 58 37.652 37.353 0.299 1
1 560 . 17 1 1 A 58 58 ILE N N 58 134.435 126.327 8.108 1
1 561 . 17 1 1 A 59 59 CYS H H 59 8.204 8.800 -0.596 1
1 562 . 17 1 1 A 59 59 CYS HA H 59 5.698 nan 5.698 1
1 565 . 17 1 1 A 59 59 CYS CA C 59 51.508 55.119 -3.611 1
1 566 . 17 1 1 A 59 59 CYS CB C 59 36.523 44.068 -7.545 1
1 567 . 17 1 1 A 59 59 CYS N N 59 121.180 125.194 -4.014 1
1 8 . 18 1 1 A 2 2 ILE H H 2 8.299 8.162 0.137 1
1 9 . 18 1 1 A 2 2 ILE HA H 2 4.139 4.317 -0.178 1
1 19 . 18 1 1 A 2 2 ILE CA C 2 61.463 60.236 1.227 1
1 20 . 18 1 1 A 2 2 ILE CB C 2 38.545 37.073 1.472 1
1 24 . 18 1 1 A 2 2 ILE N N 2 121.433 120.349 1.084 1
1 25 . 18 1 1 A 3 3 VAL H H 3 8.245 8.408 -0.163 1
1 26 . 18 1 1 A 3 3 VAL HA H 3 4.138 4.042 0.096 1
1 34 . 18 1 1 A 3 3 VAL CA C 3 61.813 62.314 -0.501 1
1 35 . 18 1 1 A 3 3 VAL CB C 3 32.887 30.548 2.339 1
1 38 . 18 1 1 A 3 3 VAL N N 3 123.973 123.514 0.459 1
1 39 . 18 1 1 A 4 4 ASP H H 4 8.320 8.810 -0.490 1
1 40 . 18 1 1 A 4 4 ASP HA H 4 4.499 5.232 -0.733 1
1 43 . 18 1 1 A 4 4 ASP CA C 4 53.912 53.150 0.762 1
1 44 . 18 1 1 A 4 4 ASP CB C 4 41.523 41.608 -0.085 1
1 45 . 18 1 1 A 4 4 ASP N N 4 123.308 124.384 -1.076 1
1 46 . 18 1 1 A 5 5 CYS H H 5 7.560 8.937 -1.377 1
1 47 . 18 1 1 A 5 5 CYS HA H 5 5.355 5.380 -0.025 1
1 50 . 18 1 1 A 5 5 CYS CA C 5 54.544 54.997 -0.453 1
1 51 . 18 1 1 A 5 5 CYS CB C 5 44.815 45.371 -0.556 1
1 52 . 18 1 1 A 5 5 CYS N N 5 121.272 121.896 -0.624 1
1 53 . 18 1 1 A 6 6 TRP H H 6 9.768 9.209 0.559 1
1 54 . 18 1 1 A 6 6 TRP HA H 6 4.727 5.162 -0.435 1
1 58 . 18 1 1 A 6 6 TRP CB C 6 34.880 32.335 2.545 1
1 59 . 18 1 1 A 6 6 TRP N N 6 120.939 125.546 -4.607 1
1 61 . 18 1 1 A 7 7 GLU H H 7 10.518 8.585 1.933 1
1 62 . 18 1 1 A 7 7 GLU HA H 7 4.872 4.568 0.304 1
1 66 . 18 1 1 A 7 7 GLU CA C 7 59.493 57.466 2.027 1
1 67 . 18 1 1 A 7 7 GLU CB C 7 31.264 31.826 -0.562 1
1 69 . 18 1 1 A 7 7 GLU N N 7 119.048 126.587 -7.539 1
1 70 . 18 1 1 A 8 8 THR H H 8 7.112 7.675 -0.563 1
1 71 . 18 1 1 A 8 8 THR HA H 8 4.509 4.300 0.209 1
1 76 . 18 1 1 A 8 8 THR CA C 8 57.991 63.076 -5.085 1
1 77 . 18 1 1 A 8 8 THR CB C 8 73.377 68.770 4.607 1
1 79 . 18 1 1 A 8 8 THR N N 8 103.295 113.345 -10.050 1
1 80 . 18 1 1 A 9 9 TRP H H 9 7.902 7.795 0.107 1
1 81 . 18 1 1 A 9 9 TRP HA H 9 2.806 5.067 -2.261 1
1 85 . 18 1 1 A 9 9 TRP CA C 9 62.403 58.423 3.980 1
1 86 . 18 1 1 A 9 9 TRP CB C 9 26.876 31.236 -4.360 1
1 87 . 18 1 1 A 9 9 TRP N N 9 121.679 122.860 -1.181 1
1 89 . 18 1 1 A 10 10 SER H H 10 8.585 8.591 -0.006 1
1 90 . 18 1 1 A 10 10 SER HA H 10 3.354 4.965 -1.611 1
1 93 . 18 1 1 A 10 10 SER CA C 10 61.924 57.748 4.176 1
1 94 . 18 1 1 A 10 10 SER CB C 10 62.121 63.377 -1.256 1
1 95 . 18 1 1 A 10 10 SER N N 10 114.940 114.469 0.471 1
1 96 . 18 1 1 A 11 11 ARG H H 11 7.619 8.019 -0.400 1
1 97 . 18 1 1 A 11 11 ARG HA H 11 3.797 4.080 -0.283 1
1 103 . 18 1 1 A 11 11 ARG CA C 11 58.216 59.932 -1.716 1
1 104 . 18 1 1 A 11 11 ARG CB C 11 30.189 30.045 0.144 1
1 107 . 18 1 1 A 11 11 ARG N N 11 120.414 121.678 -1.264 1
1 108 . 18 1 1 A 12 12 CYS H H 12 6.939 8.201 -1.262 1
1 109 . 18 1 1 A 12 12 CYS HA H 12 2.633 4.709 -2.076 1
1 112 . 18 1 1 A 12 12 CYS CA C 12 58.084 56.358 1.726 1
1 113 . 18 1 1 A 12 12 CYS CB C 12 41.245 41.929 -0.684 1
1 114 . 18 1 1 A 12 12 CYS N N 12 114.990 115.583 -0.593 1
1 115 . 18 1 1 A 13 13 THR H H 13 7.600 7.982 -0.382 1
1 116 . 18 1 1 A 13 13 THR HA H 13 3.346 4.611 -1.265 1
1 121 . 18 1 1 A 13 13 THR CA C 13 66.553 63.778 2.775 1
1 122 . 18 1 1 A 13 13 THR CB C 13 68.908 70.168 -1.260 1
1 124 . 18 1 1 A 13 13 THR N N 13 115.078 113.593 1.485 1
1 125 . 18 1 1 A 14 14 LYS H H 14 7.138 8.544 -1.406 1
1 126 . 18 1 1 A 14 14 LYS HA H 14 4.141 4.473 -0.332 1
1 132 . 18 1 1 A 14 14 LYS CA C 14 56.515 57.003 -0.488 1
1 133 . 18 1 1 A 14 14 LYS CB C 14 33.392 33.441 -0.049 1
1 137 . 18 1 1 A 14 14 LYS N N 14 119.549 118.564 0.985 1
1 138 . 18 1 1 A 15 15 TRP H H 15 7.747 7.261 0.486 1
1 139 . 18 1 1 A 15 15 TRP HA H 15 4.360 5.117 -0.757 1
1 143 . 18 1 1 A 15 15 TRP CA C 15 57.057 56.385 0.672 1
1 144 . 18 1 1 A 15 15 TRP CB C 15 29.949 31.099 -1.150 1
1 145 . 18 1 1 A 15 15 TRP N N 15 122.233 118.196 4.037 1
1 147 . 18 1 1 A 16 16 SER H H 16 7.845 9.116 -1.271 1
1 148 . 18 1 1 A 16 16 SER HA H 16 4.236 4.912 -0.676 1
1 151 . 18 1 1 A 16 16 SER CA C 16 57.866 57.573 0.293 1
1 152 . 18 1 1 A 16 16 SER CB C 16 64.242 64.809 -0.567 1
1 153 . 18 1 1 A 16 16 SER N N 16 116.282 115.613 0.669 1
1 154 . 18 1 1 A 17 17 GLN H H 17 8.150 7.912 0.238 1
1 155 . 18 1 1 A 17 17 GLN HA H 17 4.238 4.572 -0.334 1
1 159 . 18 1 1 A 17 17 GLN CA C 17 55.929 54.344 1.585 1
1 160 . 18 1 1 A 17 17 GLN CB C 17 29.663 29.098 0.565 1
1 162 . 18 1 1 A 17 17 GLN N N 17 122.525 120.811 1.714 1
1 163 . 18 1 1 A 18 18 GLY H H 18 8.313 8.668 -0.355 1
1 164 . 18 1 1 A 18 18 GLY HA2 H 18 3.928 3.993 -0.065 1
1 165 . 18 1 1 A 18 18 GLY N N 18 110.285 108.142 2.143 1
1 166 . 18 1 1 A 19 19 GLY H H 19 8.241 7.981 0.260 1
1 167 . 18 1 1 A 19 19 GLY HA2 H 19 3.939 4.066 -0.127 1
1 168 . 18 1 1 A 19 19 GLY N N 19 108.776 108.570 0.206 1
1 169 . 18 1 1 A 20 20 THR H H 20 8.166 8.310 -0.144 1
1 170 . 18 1 1 A 20 20 THR HA H 20 4.318 3.998 0.320 1
1 175 . 18 1 1 A 20 20 THR CA C 20 61.985 65.646 -3.661 1
1 176 . 18 1 1 A 20 20 THR CB C 20 69.591 67.041 2.550 1
1 178 . 18 1 1 A 20 20 THR N N 20 113.035 107.975 5.060 1
1 179 . 18 1 1 A 21 21 GLY H H 21 8.423 8.418 0.005 1
1 180 . 18 1 1 A 21 21 GLY HA2 H 21 3.836 4.195 -0.359 1
1 181 . 18 1 1 A 21 21 GLY HA3 H 21 4.047 4.195 -0.148 1
1 182 . 18 1 1 A 21 21 GLY CA C 21 45.397 45.715 -0.318 1
1 183 . 18 1 1 A 21 21 GLY N N 21 111.299 108.938 2.361 1
1 184 . 18 1 1 A 22 22 THR H H 22 7.915 7.951 -0.036 1
1 185 . 18 1 1 A 22 22 THR HA H 22 4.279 4.077 0.202 1
1 190 . 18 1 1 A 22 22 THR CA C 22 61.845 62.681 -0.836 1
1 191 . 18 1 1 A 22 22 THR CB C 22 69.755 66.504 3.251 1
1 193 . 18 1 1 A 22 22 THR N N 22 113.293 110.808 2.485 1
1 194 . 18 1 1 A 23 23 LEU H H 23 8.132 7.942 0.190 1
1 195 . 18 1 1 A 23 23 LEU HA H 23 4.282 4.053 0.229 1
1 205 . 18 1 1 A 23 23 LEU CA C 23 55.052 55.373 -0.321 1
1 206 . 18 1 1 A 23 23 LEU CB C 23 42.511 40.462 2.049 1
1 210 . 18 1 1 A 23 23 LEU N N 23 124.055 112.774 11.281 1
1 211 . 18 1 1 A 24 24 TRP H H 24 8.011 7.377 0.634 1
1 212 . 18 1 1 A 24 24 TRP HA H 24 4.694 4.283 0.411 1
1 216 . 18 1 1 A 24 24 TRP CA C 24 56.611 60.605 -3.994 1
1 217 . 18 1 1 A 24 24 TRP CB C 24 30.203 29.749 0.454 1
1 218 . 18 1 1 A 24 24 TRP N N 24 122.196 120.384 1.812 1
1 220 . 18 1 1 A 25 25 LYS H H 25 8.384 8.383 0.001 1
1 221 . 18 1 1 A 25 25 LYS HA H 25 4.415 3.999 0.416 1
1 228 . 18 1 1 A 25 25 LYS CB C 25 34.608 31.736 2.872 1
1 232 . 18 1 1 A 25 25 LYS N N 25 122.979 119.689 3.290 1
1 233 . 18 1 1 A 26 26 SER H H 26 8.703 8.511 0.192 1
1 234 . 18 1 1 A 26 26 SER HA H 26 4.689 4.587 0.102 1
1 237 . 18 1 1 A 26 26 SER CA C 26 60.110 59.850 0.260 1
1 238 . 18 1 1 A 26 26 SER CB C 26 64.419 61.782 2.637 1
1 239 . 18 1 1 A 26 26 SER N N 26 117.775 109.385 8.390 1
1 240 . 18 1 1 A 27 27 CYS H H 27 8.216 8.725 -0.509 1
1 241 . 18 1 1 A 27 27 CYS HA H 27 4.382 4.268 0.114 1
1 244 . 18 1 1 A 27 27 CYS CA C 27 58.151 59.346 -1.195 1
1 245 . 18 1 1 A 27 27 CYS CB C 27 36.051 41.714 -5.663 1
1 246 . 18 1 1 A 27 27 CYS N N 27 119.629 122.710 -3.081 1
1 247 . 18 1 1 A 28 28 ASN H H 28 8.640 8.228 0.412 1
1 248 . 18 1 1 A 28 28 ASN HA H 28 4.039 4.553 -0.514 1
1 251 . 18 1 1 A 28 28 ASN CA C 28 57.688 56.732 0.956 1
1 252 . 18 1 1 A 28 28 ASN CB C 28 39.578 39.895 -0.317 1
1 253 . 18 1 1 A 28 28 ASN N N 28 117.431 119.270 -1.839 1
1 254 . 18 1 1 A 29 29 ASP H H 29 7.910 8.291 -0.381 1
1 255 . 18 1 1 A 29 29 ASP HA H 29 4.290 4.418 -0.128 1
1 258 . 18 1 1 A 29 29 ASP CA C 29 57.649 57.392 0.257 1
1 259 . 18 1 1 A 29 29 ASP CB C 29 40.511 40.960 -0.449 1
1 260 . 18 1 1 A 29 29 ASP N N 29 117.680 119.480 -1.800 1
1 261 . 18 1 1 A 30 30 ARG H H 30 8.559 7.957 0.602 1
1 262 . 18 1 1 A 30 30 ARG HA H 30 3.792 4.033 -0.241 1
1 267 . 18 1 1 A 30 30 ARG CA C 30 59.243 59.318 -0.075 1
1 268 . 18 1 1 A 30 30 ARG CB C 30 29.806 29.730 0.076 1
1 271 . 18 1 1 A 30 30 ARG N N 30 121.907 118.771 3.136 1
1 272 . 18 1 1 A 31 31 CYS H H 31 8.066 8.475 -0.409 1
1 273 . 18 1 1 A 31 31 CYS HA H 31 4.285 4.307 -0.022 1
1 276 . 18 1 1 A 31 31 CYS CA C 31 58.396 61.351 -2.955 1
1 277 . 18 1 1 A 31 31 CYS CB C 31 36.213 42.196 -5.983 1
1 278 . 18 1 1 A 31 31 CYS N N 31 117.122 117.415 -0.293 1
1 279 . 18 1 1 A 32 32 LYS H H 32 8.096 7.952 0.144 1
1 280 . 18 1 1 A 32 32 LYS HA H 32 4.402 4.056 0.346 1
1 286 . 18 1 1 A 32 32 LYS CA C 32 59.508 60.038 -0.530 1
1 287 . 18 1 1 A 32 32 LYS CB C 32 31.698 32.117 -0.419 1
1 289 . 18 1 1 A 32 32 LYS N N 32 121.727 119.163 2.564 1
1 290 . 18 1 1 A 33 33 GLU H H 33 8.131 8.557 -0.426 1
1 291 . 18 1 1 A 33 33 GLU HA H 33 4.090 4.281 -0.191 1
1 295 . 18 1 1 A 33 33 GLU CA C 33 59.018 58.543 0.475 1
1 296 . 18 1 1 A 33 33 GLU CB C 33 29.103 28.378 0.725 1
1 298 . 18 1 1 A 33 33 GLU N N 33 121.845 118.808 3.037 1
1 299 . 18 1 1 A 34 34 LEU H H 34 7.318 7.162 0.156 1
1 300 . 18 1 1 A 34 34 LEU HA H 34 4.385 4.459 -0.074 1
1 310 . 18 1 1 A 34 34 LEU CA C 34 54.830 55.261 -0.431 1
1 311 . 18 1 1 A 34 34 LEU CB C 34 42.243 42.621 -0.378 1
1 315 . 18 1 1 A 34 34 LEU N N 34 117.966 118.997 -1.031 1
1 316 . 18 1 1 A 35 35 GLY H H 35 7.931 7.978 -0.047 1
1 317 . 18 1 1 A 35 35 GLY HA2 H 35 3.793 4.112 -0.319 1
1 318 . 18 1 1 A 35 35 GLY HA3 H 35 4.251 4.112 0.139 1
1 319 . 18 1 1 A 35 35 GLY CA C 35 39.163 45.328 -6.165 1
1 320 . 18 1 1 A 35 35 GLY N N 35 107.160 106.351 0.809 1
1 321 . 18 1 1 A 36 36 ARG H H 36 7.772 8.082 -0.310 1
1 322 . 18 1 1 A 36 36 ARG HA H 36 4.700 5.051 -0.351 1
1 329 . 18 1 1 A 36 36 ARG CA C 36 52.697 54.091 -1.394 1
1 330 . 18 1 1 A 36 36 ARG CB C 36 27.998 33.574 -5.576 1
1 333 . 18 1 1 A 36 36 ARG N N 36 119.227 119.739 -0.512 1
1 334 . 18 1 1 A 37 37 LYS H H 37 9.057 8.681 0.376 1
1 335 . 18 1 1 A 37 37 LYS HA H 37 4.220 4.480 -0.260 1
1 342 . 18 1 1 A 37 37 LYS CA C 37 58.398 57.790 0.608 1
1 343 . 18 1 1 A 37 37 LYS CB C 37 33.797 32.805 0.992 1
1 346 . 18 1 1 A 37 37 LYS N N 37 119.506 119.691 -0.185 1
1 347 . 18 1 1 A 38 38 ARG H H 38 8.278 7.752 0.526 1
1 348 . 18 1 1 A 38 38 ARG HA H 38 4.721 4.765 -0.044 1
1 354 . 18 1 1 A 38 38 ARG CA C 38 54.582 54.511 0.071 1
1 355 . 18 1 1 A 38 38 ARG CB C 38 32.642 33.073 -0.431 1
1 358 . 18 1 1 A 38 38 ARG N N 38 113.248 113.952 -0.704 1
1 359 . 18 1 1 A 39 39 GLY H H 39 9.055 8.647 0.408 1
1 360 . 18 1 1 A 39 39 GLY HA2 H 39 3.895 4.331 -0.436 1
1 361 . 18 1 1 A 39 39 GLY HA3 H 39 5.551 4.331 1.220 1
1 362 . 18 1 1 A 39 39 GLY CA C 39 46.770 44.477 2.293 1
1 363 . 18 1 1 A 39 39 GLY N N 39 107.276 106.592 0.684 1
1 364 . 18 1 1 A 40 40 GLN H H 40 9.453 9.441 0.012 1
1 365 . 18 1 1 A 40 40 GLN HA H 40 4.717 4.722 -0.005 1
1 370 . 18 1 1 A 40 40 GLN CA C 40 54.463 55.261 -0.798 1
1 371 . 18 1 1 A 40 40 GLN CB C 40 32.364 30.191 2.173 1
1 373 . 18 1 1 A 40 40 GLN N N 40 120.430 122.477 -2.047 1
1 374 . 18 1 1 A 41 41 CYS H H 41 9.208 8.583 0.625 1
1 375 . 18 1 1 A 41 41 CYS HA H 41 5.935 4.951 0.984 1
1 378 . 18 1 1 A 41 41 CYS CA C 41 59.537 55.101 4.436 1
1 379 . 18 1 1 A 41 41 CYS CB C 41 48.386 42.054 6.332 1
1 380 . 18 1 1 A 41 41 CYS N N 41 122.768 122.847 -0.079 1
1 381 . 18 1 1 A 42 42 GLU H H 42 9.529 8.581 0.948 1
1 382 . 18 1 1 A 42 42 GLU HA H 42 5.066 5.107 -0.041 1
1 386 . 18 1 1 A 42 42 GLU CA C 42 54.869 53.652 1.217 1
1 387 . 18 1 1 A 42 42 GLU CB C 42 35.149 32.191 2.958 1
1 389 . 18 1 1 A 42 42 GLU N N 42 122.626 124.672 -2.046 1
1 390 . 18 1 1 A 43 43 GLU H H 43 8.450 8.144 0.306 1
1 391 . 18 1 1 A 43 43 GLU HA H 43 3.973 4.496 -0.523 1
1 396 . 18 1 1 A 43 43 GLU CA C 43 55.920 55.759 0.161 1
1 397 . 18 1 1 A 43 43 GLU CB C 43 29.068 28.024 1.044 1
1 399 . 18 1 1 A 43 43 GLU N N 43 122.712 119.302 3.410 1
1 400 . 18 1 1 A 44 44 LYS H H 44 8.051 7.908 0.143 1
1 401 . 18 1 1 A 44 44 LYS HA H 44 4.858 4.997 -0.139 1
1 408 . 18 1 1 A 44 44 LYS CA C 44 51.858 53.189 -1.331 1
1 409 . 18 1 1 A 44 44 LYS CB C 44 33.736 33.238 0.498 1
1 413 . 18 1 1 A 44 44 LYS N N 44 124.525 124.957 -0.432 1
1 414 . 18 1 1 A 45 45 PRO HA H 45 4.371 4.636 -0.265 1
1 421 . 18 1 1 A 45 45 PRO CA C 45 64.556 62.742 1.814 1
1 422 . 18 1 1 A 45 45 PRO CB C 45 31.781 32.565 -0.784 1
1 425 . 18 1 1 A 46 46 SER H H 46 8.132 8.648 -0.516 1
1 426 . 18 1 1 A 46 46 SER HA H 46 4.119 4.114 0.005 1
1 429 . 18 1 1 A 46 46 SER CA C 46 60.190 60.149 0.041 1
1 430 . 18 1 1 A 46 46 SER CB C 46 62.093 61.915 0.178 1
1 431 . 18 1 1 A 46 46 SER N N 46 109.975 111.701 -1.726 1
1 432 . 18 1 1 A 47 47 ARG H H 47 7.381 8.117 -0.736 1
1 433 . 18 1 1 A 47 47 ARG HA H 47 4.448 4.554 -0.106 1
1 438 . 18 1 1 A 47 47 ARG CA C 47 56.257 55.273 0.984 1
1 439 . 18 1 1 A 47 47 ARG CB C 47 32.699 31.488 1.211 1
1 442 . 18 1 1 A 47 47 ARG N N 47 120.043 117.452 2.591 1
1 443 . 18 1 1 A 48 48 CYS H H 48 7.864 7.674 0.190 1
1 444 . 18 1 1 A 48 48 CYS HA H 48 5.145 4.946 0.199 1
1 447 . 18 1 1 A 48 48 CYS CA C 48 52.322 53.865 -1.543 1
1 448 . 18 1 1 A 48 48 CYS CB C 48 41.255 44.942 -3.687 1
1 449 . 18 1 1 A 48 48 CYS N N 48 118.806 117.755 1.051 1
1 450 . 18 1 1 A 49 49 PRO HA H 49 4.475 4.459 0.016 1
1 457 . 18 1 1 A 49 49 PRO CA C 49 64.149 64.682 -0.533 1
1 458 . 18 1 1 A 49 49 PRO CB C 49 32.684 31.931 0.753 1
1 461 . 18 1 1 A 50 50 LEU H H 50 8.839 8.232 0.607 1
1 462 . 18 1 1 A 50 50 LEU HA H 50 4.436 4.634 -0.198 1
1 472 . 18 1 1 A 50 50 LEU CA C 50 54.154 54.147 0.007 1
1 473 . 18 1 1 A 50 50 LEU CB C 50 41.344 40.934 0.410 1
1 477 . 18 1 1 A 50 50 LEU N N 50 122.400 120.026 2.374 1
1 478 . 18 1 1 A 51 51 SER H H 51 8.563 8.806 -0.243 1
1 479 . 18 1 1 A 51 51 SER HA H 51 4.042 4.184 -0.142 1
1 481 . 18 1 1 A 51 51 SER CA C 51 60.771 62.135 -1.364 1
1 482 . 18 1 1 A 51 51 SER CB C 51 62.818 63.151 -0.333 1
1 483 . 18 1 1 A 51 51 SER N N 51 120.571 121.136 -0.565 1
1 484 . 18 1 1 A 52 52 LYS H H 52 8.067 8.161 -0.094 1
1 485 . 18 1 1 A 52 52 LYS HA H 52 4.324 3.981 0.343 1
1 491 . 18 1 1 A 52 52 LYS CA C 52 56.796 59.444 -2.648 1
1 492 . 18 1 1 A 52 52 LYS CB C 52 31.870 32.024 -0.154 1
1 496 . 18 1 1 A 52 52 LYS N N 52 117.675 121.669 -3.994 1
1 497 . 18 1 1 A 53 53 LYS H H 53 7.619 7.631 -0.012 1
1 498 . 18 1 1 A 53 53 LYS HA H 53 4.426 4.215 0.211 1
1 504 . 18 1 1 A 53 53 LYS CA C 53 55.204 59.228 -4.024 1
1 505 . 18 1 1 A 53 53 LYS CB C 53 33.881 32.642 1.239 1
1 509 . 18 1 1 A 53 53 LYS N N 53 122.168 119.227 2.941 1
1 510 . 18 1 1 A 54 54 ALA H H 54 8.485 7.613 0.872 1
1 511 . 18 1 1 A 54 54 ALA HA H 54 4.410 4.061 0.349 1
1 515 . 18 1 1 A 54 54 ALA CA C 54 53.135 54.579 -1.444 1
1 516 . 18 1 1 A 54 54 ALA CB C 54 21.208 17.061 4.147 1
1 517 . 18 1 1 A 54 54 ALA N N 54 122.332 119.239 3.093 1
1 518 . 18 1 1 A 55 55 TRP H H 55 8.517 8.476 0.041 1
1 519 . 18 1 1 A 55 55 TRP HA H 55 4.676 4.869 -0.193 1
1 523 . 18 1 1 A 55 55 TRP CA C 55 57.259 58.010 -0.751 1
1 524 . 18 1 1 A 55 55 TRP CB C 55 30.373 30.914 -0.541 1
1 525 . 18 1 1 A 55 55 TRP N N 55 117.762 119.221 -1.459 1
1 527 . 18 1 1 A 56 56 THR H H 56 9.389 8.999 0.390 1
1 528 . 18 1 1 A 56 56 THR HA H 56 5.201 4.943 0.258 1
1 533 . 18 1 1 A 56 56 THR CA C 56 60.940 60.190 0.750 1
1 534 . 18 1 1 A 56 56 THR CB C 56 70.961 71.558 -0.597 1
1 536 . 18 1 1 A 56 56 THR N N 56 117.434 114.611 2.823 1
1 537 . 18 1 1 A 57 57 CYS H H 57 8.665 8.774 -0.109 1
1 538 . 18 1 1 A 57 57 CYS HA H 57 4.827 5.317 -0.490 1
1 541 . 18 1 1 A 57 57 CYS CA C 57 56.272 54.915 1.357 1
1 542 . 18 1 1 A 57 57 CYS CB C 57 37.251 43.655 -6.404 1
1 543 . 18 1 1 A 57 57 CYS N N 57 126.085 123.991 2.094 1
1 544 . 18 1 1 A 58 58 ILE H H 58 9.150 9.254 -0.104 1
1 545 . 18 1 1 A 58 58 ILE HA H 58 4.297 4.441 -0.144 1
1 555 . 18 1 1 A 58 58 ILE CA C 58 58.322 60.304 -1.982 1
1 556 . 18 1 1 A 58 58 ILE CB C 58 37.652 38.213 -0.561 1
1 560 . 18 1 1 A 58 58 ILE N N 58 134.435 125.562 8.873 1
1 561 . 18 1 1 A 59 59 CYS H H 59 8.204 8.592 -0.388 1
1 562 . 18 1 1 A 59 59 CYS HA H 59 5.698 4.750 0.948 1
1 565 . 18 1 1 A 59 59 CYS CA C 59 51.508 56.557 -5.049 1
1 566 . 18 1 1 A 59 59 CYS CB C 59 36.523 41.841 -5.318 1
1 567 . 18 1 1 A 59 59 CYS N N 59 121.180 125.968 -4.788 1
1 8 . 19 1 1 A 2 2 ILE H H 2 8.299 7.493 0.806 1
1 9 . 19 1 1 A 2 2 ILE HA H 2 4.139 4.463 -0.324 1
1 19 . 19 1 1 A 2 2 ILE CA C 2 61.463 59.006 2.457 1
1 20 . 19 1 1 A 2 2 ILE CB C 2 38.545 41.000 -2.455 1
1 24 . 19 1 1 A 2 2 ILE N N 2 121.433 114.873 6.560 1
1 25 . 19 1 1 A 3 3 VAL H H 3 8.245 8.698 -0.453 1
1 26 . 19 1 1 A 3 3 VAL HA H 3 4.138 3.694 0.444 1
1 34 . 19 1 1 A 3 3 VAL CA C 3 61.813 63.128 -1.315 1
1 35 . 19 1 1 A 3 3 VAL CB C 3 32.887 29.564 3.323 1
1 38 . 19 1 1 A 3 3 VAL N N 3 123.973 123.990 -0.017 1
1 39 . 19 1 1 A 4 4 ASP H H 4 8.320 7.726 0.594 1
1 40 . 19 1 1 A 4 4 ASP HA H 4 4.499 5.062 -0.563 1
1 43 . 19 1 1 A 4 4 ASP CA C 4 53.912 52.097 1.815 1
1 44 . 19 1 1 A 4 4 ASP CB C 4 41.523 40.890 0.633 1
1 45 . 19 1 1 A 4 4 ASP N N 4 123.308 119.691 3.617 1
1 46 . 19 1 1 A 5 5 CYS H H 5 7.560 8.723 -1.163 1
1 47 . 19 1 1 A 5 5 CYS HA H 5 5.355 5.108 0.247 1
1 50 . 19 1 1 A 5 5 CYS CA C 5 54.544 54.472 0.072 1
1 51 . 19 1 1 A 5 5 CYS CB C 5 44.815 46.086 -1.271 1
1 52 . 19 1 1 A 5 5 CYS N N 5 121.272 119.870 1.402 1
1 53 . 19 1 1 A 6 6 TRP H H 6 9.768 8.620 1.148 1
1 54 . 19 1 1 A 6 6 TRP HA H 6 4.727 4.826 -0.099 1
1 58 . 19 1 1 A 6 6 TRP CB C 6 34.880 31.607 3.273 1
1 59 . 19 1 1 A 6 6 TRP N N 6 120.939 121.522 -0.583 1
1 61 . 19 1 1 A 7 7 GLU H H 7 10.518 8.794 1.724 1
1 62 . 19 1 1 A 7 7 GLU HA H 7 4.872 4.483 0.389 1
1 66 . 19 1 1 A 7 7 GLU CA C 7 59.493 56.990 2.503 1
1 67 . 19 1 1 A 7 7 GLU CB C 7 31.264 30.246 1.018 1
1 69 . 19 1 1 A 7 7 GLU N N 7 119.048 120.802 -1.754 1
1 70 . 19 1 1 A 8 8 THR H H 8 7.112 7.814 -0.702 1
1 71 . 19 1 1 A 8 8 THR HA H 8 4.509 4.818 -0.309 1
1 76 . 19 1 1 A 8 8 THR CA C 8 57.991 60.761 -2.770 1
1 77 . 19 1 1 A 8 8 THR CB C 8 73.377 71.903 1.474 1
1 79 . 19 1 1 A 8 8 THR N N 8 103.295 113.311 -10.016 1
1 80 . 19 1 1 A 9 9 TRP H H 9 7.902 8.916 -1.014 1
1 81 . 19 1 1 A 9 9 TRP HA H 9 2.806 4.179 -1.373 1
1 85 . 19 1 1 A 9 9 TRP CA C 9 62.403 61.443 0.960 1
1 86 . 19 1 1 A 9 9 TRP CB C 9 26.876 29.998 -3.122 1
1 87 . 19 1 1 A 9 9 TRP N N 9 121.679 127.312 -5.633 1
1 89 . 19 1 1 A 10 10 SER H H 10 8.585 8.545 0.040 1
1 90 . 19 1 1 A 10 10 SER HA H 10 3.354 4.057 -0.703 1
1 93 . 19 1 1 A 10 10 SER CA C 10 61.924 61.863 0.061 1
1 94 . 19 1 1 A 10 10 SER CB C 10 62.121 62.474 -0.353 1
1 95 . 19 1 1 A 10 10 SER N N 10 114.940 114.266 0.674 1
1 96 . 19 1 1 A 11 11 ARG H H 11 7.619 7.860 -0.241 1
1 97 . 19 1 1 A 11 11 ARG HA H 11 3.797 3.926 -0.129 1
1 103 . 19 1 1 A 11 11 ARG CA C 11 58.216 59.662 -1.446 1
1 104 . 19 1 1 A 11 11 ARG CB C 11 30.189 29.620 0.569 1
1 107 . 19 1 1 A 11 11 ARG N N 11 120.414 121.497 -1.083 1
1 108 . 19 1 1 A 12 12 CYS H H 12 6.939 8.325 -1.386 1
1 109 . 19 1 1 A 12 12 CYS HA H 12 2.633 4.219 -1.586 1
1 112 . 19 1 1 A 12 12 CYS CA C 12 58.084 59.396 -1.312 1
1 113 . 19 1 1 A 12 12 CYS CB C 12 41.245 41.898 -0.653 1
1 114 . 19 1 1 A 12 12 CYS N N 12 114.990 118.295 -3.305 1
1 115 . 19 1 1 A 13 13 THR H H 13 7.600 7.658 -0.058 1
1 116 . 19 1 1 A 13 13 THR HA H 13 3.346 4.173 -0.827 1
1 121 . 19 1 1 A 13 13 THR CA C 13 66.553 64.115 2.438 1
1 122 . 19 1 1 A 13 13 THR CB C 13 68.908 68.820 0.088 1
1 124 . 19 1 1 A 13 13 THR N N 13 115.078 113.386 1.692 1
1 125 . 19 1 1 A 14 14 LYS H H 14 7.138 7.312 -0.174 1
1 126 . 19 1 1 A 14 14 LYS HA H 14 4.141 4.303 -0.162 1
1 132 . 19 1 1 A 14 14 LYS CA C 14 56.515 55.620 0.895 1
1 133 . 19 1 1 A 14 14 LYS CB C 14 33.392 32.184 1.208 1
1 137 . 19 1 1 A 14 14 LYS N N 14 119.549 119.108 0.441 1
1 138 . 19 1 1 A 15 15 TRP H H 15 7.747 7.872 -0.125 1
1 139 . 19 1 1 A 15 15 TRP HA H 15 4.360 4.622 -0.262 1
1 143 . 19 1 1 A 15 15 TRP CA C 15 57.057 58.862 -1.805 1
1 144 . 19 1 1 A 15 15 TRP CB C 15 29.949 29.438 0.511 1
1 145 . 19 1 1 A 15 15 TRP N N 15 122.233 119.725 2.508 1
1 147 . 19 1 1 A 16 16 SER H H 16 7.845 9.039 -1.194 1
1 148 . 19 1 1 A 16 16 SER HA H 16 4.236 4.324 -0.088 1
1 151 . 19 1 1 A 16 16 SER CA C 16 57.866 59.910 -2.044 1
1 152 . 19 1 1 A 16 16 SER CB C 16 64.242 63.068 1.174 1
1 153 . 19 1 1 A 16 16 SER N N 16 116.282 115.042 1.240 1
1 154 . 19 1 1 A 17 17 GLN H H 17 8.150 8.692 -0.542 1
1 155 . 19 1 1 A 17 17 GLN HA H 17 4.238 3.878 0.360 1
1 159 . 19 1 1 A 17 17 GLN CA C 17 55.929 57.730 -1.801 1
1 160 . 19 1 1 A 17 17 GLN CB C 17 29.663 27.277 2.386 1
1 162 . 19 1 1 A 17 17 GLN N N 17 122.525 118.741 3.784 1
1 163 . 19 1 1 A 18 18 GLY H H 18 8.313 8.545 -0.232 1
1 164 . 19 1 1 A 18 18 GLY HA2 H 18 3.928 3.921 0.007 1
1 165 . 19 1 1 A 18 18 GLY N N 18 110.285 106.656 3.629 1
1 166 . 19 1 1 A 19 19 GLY H H 19 8.241 8.203 0.038 1
1 167 . 19 1 1 A 19 19 GLY HA2 H 19 3.939 3.909 0.030 1
1 168 . 19 1 1 A 19 19 GLY N N 19 108.776 108.400 0.376 1
1 169 . 19 1 1 A 20 20 THR H H 20 8.166 8.237 -0.071 1
1 170 . 19 1 1 A 20 20 THR HA H 20 4.318 3.951 0.367 1
1 175 . 19 1 1 A 20 20 THR CA C 20 61.985 63.075 -1.090 1
1 176 . 19 1 1 A 20 20 THR CB C 20 69.591 66.842 2.749 1
1 178 . 19 1 1 A 20 20 THR N N 20 113.035 114.298 -1.263 1
1 179 . 19 1 1 A 21 21 GLY H H 21 8.423 8.270 0.153 1
1 180 . 19 1 1 A 21 21 GLY HA2 H 21 3.836 3.692 0.144 1
1 181 . 19 1 1 A 21 21 GLY HA3 H 21 4.047 3.692 0.355 1
1 182 . 19 1 1 A 21 21 GLY CA C 21 45.397 47.202 -1.805 1
1 183 . 19 1 1 A 21 21 GLY N N 21 111.299 110.836 0.463 1
1 184 . 19 1 1 A 22 22 THR H H 22 7.915 7.725 0.190 1
1 185 . 19 1 1 A 22 22 THR HA H 22 4.279 4.509 -0.230 1
1 190 . 19 1 1 A 22 22 THR CA C 22 61.845 60.893 0.952 1
1 191 . 19 1 1 A 22 22 THR CB C 22 69.755 70.425 -0.670 1
1 193 . 19 1 1 A 22 22 THR N N 22 113.293 111.836 1.457 1
1 194 . 19 1 1 A 23 23 LEU H H 23 8.132 7.628 0.504 1
1 195 . 19 1 1 A 23 23 LEU HA H 23 4.282 4.477 -0.195 1
1 205 . 19 1 1 A 23 23 LEU CA C 23 55.052 53.415 1.637 1
1 206 . 19 1 1 A 23 23 LEU CB C 23 42.511 42.442 0.069 1
1 210 . 19 1 1 A 23 23 LEU N N 23 124.055 122.535 1.520 1
1 211 . 19 1 1 A 24 24 TRP H H 24 8.011 7.010 1.001 1
1 212 . 19 1 1 A 24 24 TRP HA H 24 4.694 4.249 0.445 1
1 216 . 19 1 1 A 24 24 TRP CA C 24 56.611 60.622 -4.011 1
1 217 . 19 1 1 A 24 24 TRP CB C 24 30.203 28.983 1.220 1
1 218 . 19 1 1 A 24 24 TRP N N 24 122.196 122.216 -0.020 1
1 220 . 19 1 1 A 25 25 LYS H H 25 8.384 8.214 0.170 1
1 221 . 19 1 1 A 25 25 LYS HA H 25 4.415 4.112 0.303 1
1 228 . 19 1 1 A 25 25 LYS CB C 25 34.608 32.033 2.575 1
1 232 . 19 1 1 A 25 25 LYS N N 25 122.979 120.716 2.263 1
1 233 . 19 1 1 A 26 26 SER H H 26 8.703 7.801 0.902 1
1 234 . 19 1 1 A 26 26 SER HA H 26 4.689 4.498 0.191 1
1 237 . 19 1 1 A 26 26 SER CA C 26 60.110 57.473 2.637 1
1 238 . 19 1 1 A 26 26 SER CB C 26 64.419 65.232 -0.813 1
1 239 . 19 1 1 A 26 26 SER N N 26 117.775 109.782 7.993 1
1 240 . 19 1 1 A 27 27 CYS H H 27 8.216 9.520 -1.304 1
1 241 . 19 1 1 A 27 27 CYS HA H 27 4.382 4.250 0.132 1
1 244 . 19 1 1 A 27 27 CYS CA C 27 58.151 59.689 -1.538 1
1 245 . 19 1 1 A 27 27 CYS CB C 27 36.051 41.847 -5.796 1
1 246 . 19 1 1 A 27 27 CYS N N 27 119.629 121.508 -1.879 1
1 247 . 19 1 1 A 28 28 ASN H H 28 8.640 8.408 0.232 1
1 248 . 19 1 1 A 28 28 ASN HA H 28 4.039 4.341 -0.302 1
1 251 . 19 1 1 A 28 28 ASN CA C 28 57.688 56.969 0.719 1
1 252 . 19 1 1 A 28 28 ASN CB C 28 39.578 40.107 -0.529 1
1 253 . 19 1 1 A 28 28 ASN N N 28 117.431 119.253 -1.822 1
1 254 . 19 1 1 A 29 29 ASP H H 29 7.910 8.353 -0.443 1
1 255 . 19 1 1 A 29 29 ASP HA H 29 4.290 4.220 0.070 1
1 258 . 19 1 1 A 29 29 ASP CA C 29 57.649 57.539 0.110 1
1 259 . 19 1 1 A 29 29 ASP CB C 29 40.511 41.176 -0.665 1
1 260 . 19 1 1 A 29 29 ASP N N 29 117.680 119.246 -1.566 1
1 261 . 19 1 1 A 30 30 ARG H H 30 8.559 7.407 1.152 1
1 262 . 19 1 1 A 30 30 ARG HA H 30 3.792 4.035 -0.243 1
1 267 . 19 1 1 A 30 30 ARG CA C 30 59.243 58.267 0.976 1
1 268 . 19 1 1 A 30 30 ARG CB C 30 29.806 29.382 0.424 1
1 271 . 19 1 1 A 30 30 ARG N N 30 121.907 118.143 3.764 1
1 272 . 19 1 1 A 31 31 CYS H H 31 8.066 7.824 0.242 1
1 273 . 19 1 1 A 31 31 CYS HA H 31 4.285 4.472 -0.187 1
1 276 . 19 1 1 A 31 31 CYS CA C 31 58.396 58.314 0.082 1
1 277 . 19 1 1 A 31 31 CYS CB C 31 36.213 42.823 -6.610 1
1 278 . 19 1 1 A 31 31 CYS N N 31 117.122 117.676 -0.554 1
1 279 . 19 1 1 A 32 32 LYS H H 32 8.096 7.935 0.161 1
1 280 . 19 1 1 A 32 32 LYS HA H 32 4.402 3.860 0.542 1
1 286 . 19 1 1 A 32 32 LYS CA C 32 59.508 59.591 -0.083 1
1 287 . 19 1 1 A 32 32 LYS CB C 32 31.698 32.148 -0.450 1
1 289 . 19 1 1 A 32 32 LYS N N 32 121.727 122.916 -1.189 1
1 290 . 19 1 1 A 33 33 GLU H H 33 8.131 8.357 -0.226 1
1 291 . 19 1 1 A 33 33 GLU HA H 33 4.090 4.049 0.041 1
1 295 . 19 1 1 A 33 33 GLU CA C 33 59.018 58.609 0.409 1
1 296 . 19 1 1 A 33 33 GLU CB C 33 29.103 27.865 1.238 1
1 298 . 19 1 1 A 33 33 GLU N N 33 121.845 116.658 5.187 1
1 299 . 19 1 1 A 34 34 LEU H H 34 7.318 7.565 -0.247 1
1 300 . 19 1 1 A 34 34 LEU HA H 34 4.385 4.269 0.116 1
1 310 . 19 1 1 A 34 34 LEU CA C 34 54.830 55.121 -0.291 1
1 311 . 19 1 1 A 34 34 LEU CB C 34 42.243 42.569 -0.326 1
1 315 . 19 1 1 A 34 34 LEU N N 34 117.966 119.157 -1.191 1
1 316 . 19 1 1 A 35 35 GLY H H 35 7.931 8.409 -0.478 1
1 317 . 19 1 1 A 35 35 GLY HA2 H 35 3.793 3.852 -0.059 1
1 318 . 19 1 1 A 35 35 GLY HA3 H 35 4.251 3.852 0.399 1
1 319 . 19 1 1 A 35 35 GLY CA C 35 39.163 46.298 -7.135 1
1 320 . 19 1 1 A 35 35 GLY N N 35 107.160 106.375 0.785 1
1 321 . 19 1 1 A 36 36 ARG H H 36 7.772 7.466 0.306 1
1 322 . 19 1 1 A 36 36 ARG HA H 36 4.700 4.754 -0.054 1
1 329 . 19 1 1 A 36 36 ARG CA C 36 52.697 54.111 -1.414 1
1 330 . 19 1 1 A 36 36 ARG CB C 36 27.998 33.441 -5.443 1
1 333 . 19 1 1 A 36 36 ARG N N 36 119.227 119.540 -0.313 1
1 334 . 19 1 1 A 37 37 LYS H H 37 9.057 9.026 0.031 1
1 335 . 19 1 1 A 37 37 LYS HA H 37 4.220 4.277 -0.057 1
1 342 . 19 1 1 A 37 37 LYS CA C 37 58.398 58.109 0.289 1
1 343 . 19 1 1 A 37 37 LYS CB C 37 33.797 32.900 0.897 1
1 346 . 19 1 1 A 37 37 LYS N N 37 119.506 120.504 -0.998 1
1 347 . 19 1 1 A 38 38 ARG H H 38 8.278 7.603 0.675 1
1 348 . 19 1 1 A 38 38 ARG HA H 38 4.721 4.752 -0.031 1
1 354 . 19 1 1 A 38 38 ARG CA C 38 54.582 54.776 -0.194 1
1 355 . 19 1 1 A 38 38 ARG CB C 38 32.642 33.776 -1.134 1
1 358 . 19 1 1 A 38 38 ARG N N 38 113.248 113.910 -0.662 1
1 359 . 19 1 1 A 39 39 GLY H H 39 9.055 8.813 0.242 1
1 360 . 19 1 1 A 39 39 GLY HA2 H 39 3.895 4.128 -0.233 1
1 361 . 19 1 1 A 39 39 GLY HA3 H 39 5.551 4.128 1.423 1
1 362 . 19 1 1 A 39 39 GLY CA C 39 46.770 44.671 2.099 1
1 363 . 19 1 1 A 39 39 GLY N N 39 107.276 107.025 0.251 1
1 364 . 19 1 1 A 40 40 GLN H H 40 9.453 8.938 0.515 1
1 365 . 19 1 1 A 40 40 GLN HA H 40 4.717 4.747 -0.030 1
1 370 . 19 1 1 A 40 40 GLN CA C 40 54.463 53.802 0.661 1
1 371 . 19 1 1 A 40 40 GLN CB C 40 32.364 31.722 0.642 1
1 373 . 19 1 1 A 40 40 GLN N N 40 120.430 122.678 -2.248 1
1 374 . 19 1 1 A 41 41 CYS H H 41 9.208 8.568 0.640 1
1 375 . 19 1 1 A 41 41 CYS HA H 41 5.935 4.828 1.107 1
1 378 . 19 1 1 A 41 41 CYS CA C 41 59.537 54.967 4.570 1
1 379 . 19 1 1 A 41 41 CYS CB C 41 48.386 42.465 5.921 1
1 380 . 19 1 1 A 41 41 CYS N N 41 122.768 121.600 1.168 1
1 381 . 19 1 1 A 42 42 GLU H H 42 9.529 9.094 0.435 1
1 382 . 19 1 1 A 42 42 GLU HA H 42 5.066 4.775 0.291 1
1 386 . 19 1 1 A 42 42 GLU CA C 42 54.869 54.685 0.184 1
1 387 . 19 1 1 A 42 42 GLU CB C 42 35.149 33.312 1.837 1
1 389 . 19 1 1 A 42 42 GLU N N 42 122.626 127.162 -4.536 1
1 390 . 19 1 1 A 43 43 GLU H H 43 8.450 8.561 -0.111 1
1 391 . 19 1 1 A 43 43 GLU HA H 43 3.973 4.327 -0.354 1
1 396 . 19 1 1 A 43 43 GLU CA C 43 55.920 55.983 -0.063 1
1 397 . 19 1 1 A 43 43 GLU CB C 43 29.068 27.948 1.120 1
1 399 . 19 1 1 A 43 43 GLU N N 43 122.712 122.970 -0.258 1
1 400 . 19 1 1 A 44 44 LYS H H 44 8.051 7.921 0.130 1
1 401 . 19 1 1 A 44 44 LYS HA H 44 4.858 4.796 0.062 1
1 408 . 19 1 1 A 44 44 LYS CA C 44 51.858 53.165 -1.307 1
1 409 . 19 1 1 A 44 44 LYS CB C 44 33.736 33.165 0.571 1
1 413 . 19 1 1 A 44 44 LYS N N 44 124.525 124.303 0.222 1
1 414 . 19 1 1 A 45 45 PRO HA H 45 4.371 4.312 0.059 1
1 421 . 19 1 1 A 45 45 PRO CA C 45 64.556 64.087 0.469 1
1 422 . 19 1 1 A 45 45 PRO CB C 45 31.781 31.700 0.081 1
1 425 . 19 1 1 A 46 46 SER H H 46 8.132 8.383 -0.251 1
1 426 . 19 1 1 A 46 46 SER HA H 46 4.119 4.100 0.019 1
1 429 . 19 1 1 A 46 46 SER CA C 46 60.190 60.724 -0.534 1
1 430 . 19 1 1 A 46 46 SER CB C 46 62.093 63.026 -0.933 1
1 431 . 19 1 1 A 46 46 SER N N 46 109.975 113.477 -3.502 1
1 432 . 19 1 1 A 47 47 ARG H H 47 7.381 7.384 -0.003 1
1 433 . 19 1 1 A 47 47 ARG HA H 47 4.448 4.361 0.087 1
1 438 . 19 1 1 A 47 47 ARG CA C 47 56.257 55.145 1.112 1
1 439 . 19 1 1 A 47 47 ARG CB C 47 32.699 29.916 2.783 1
1 442 . 19 1 1 A 47 47 ARG N N 47 120.043 116.159 3.884 1
1 443 . 19 1 1 A 48 48 CYS H H 48 7.864 7.355 0.509 1
1 444 . 19 1 1 A 48 48 CYS HA H 48 5.145 4.780 0.365 1
1 447 . 19 1 1 A 48 48 CYS CA C 48 52.322 52.723 -0.401 1
1 448 . 19 1 1 A 48 48 CYS CB C 48 41.255 44.490 -3.235 1
1 449 . 19 1 1 A 48 48 CYS N N 48 118.806 119.778 -0.972 1
1 450 . 19 1 1 A 49 49 PRO HA H 49 4.475 4.325 0.150 1
1 457 . 19 1 1 A 49 49 PRO CA C 49 64.149 64.568 -0.419 1
1 458 . 19 1 1 A 49 49 PRO CB C 49 32.684 32.083 0.601 1
1 461 . 19 1 1 A 50 50 LEU H H 50 8.839 8.196 0.643 1
1 462 . 19 1 1 A 50 50 LEU HA H 50 4.436 4.451 -0.015 1
1 472 . 19 1 1 A 50 50 LEU CA C 50 54.154 53.897 0.257 1
1 473 . 19 1 1 A 50 50 LEU CB C 50 41.344 42.278 -0.934 1
1 477 . 19 1 1 A 50 50 LEU N N 50 122.400 120.172 2.228 1
1 478 . 19 1 1 A 51 51 SER H H 51 8.563 8.928 -0.365 1
1 479 . 19 1 1 A 51 51 SER HA H 51 4.042 4.123 -0.081 1
1 481 . 19 1 1 A 51 51 SER CA C 51 60.771 61.015 -0.244 1
1 482 . 19 1 1 A 51 51 SER CB C 51 62.818 63.013 -0.195 1
1 483 . 19 1 1 A 51 51 SER N N 51 120.571 119.244 1.327 1
1 484 . 19 1 1 A 52 52 LYS H H 52 8.067 7.935 0.132 1
1 485 . 19 1 1 A 52 52 LYS HA H 52 4.324 4.402 -0.078 1
1 491 . 19 1 1 A 52 52 LYS CA C 52 56.796 55.512 1.284 1
1 492 . 19 1 1 A 52 52 LYS CB C 52 31.870 32.280 -0.410 1
1 496 . 19 1 1 A 52 52 LYS N N 52 117.675 120.473 -2.798 1
1 497 . 19 1 1 A 53 53 LYS H H 53 7.619 7.667 -0.048 1
1 498 . 19 1 1 A 53 53 LYS HA H 53 4.426 4.393 0.033 1
1 504 . 19 1 1 A 53 53 LYS CA C 53 55.204 57.078 -1.874 1
1 505 . 19 1 1 A 53 53 LYS CB C 53 33.881 34.187 -0.306 1
1 509 . 19 1 1 A 53 53 LYS N N 53 122.168 120.518 1.650 1
1 510 . 19 1 1 A 54 54 ALA H H 54 8.485 7.381 1.104 1
1 511 . 19 1 1 A 54 54 ALA HA H 54 4.410 3.822 0.588 1
1 515 . 19 1 1 A 54 54 ALA CA C 54 53.135 54.932 -1.797 1
1 516 . 19 1 1 A 54 54 ALA CB C 54 21.208 16.718 4.490 1
1 517 . 19 1 1 A 54 54 ALA N N 54 122.332 119.640 2.692 1
1 518 . 19 1 1 A 55 55 TRP H H 55 8.517 7.982 0.535 1
1 519 . 19 1 1 A 55 55 TRP HA H 55 4.676 4.559 0.117 1
1 523 . 19 1 1 A 55 55 TRP CA C 55 57.259 57.704 -0.445 1
1 524 . 19 1 1 A 55 55 TRP CB C 55 30.373 28.789 1.584 1
1 525 . 19 1 1 A 55 55 TRP N N 55 117.762 119.121 -1.359 1
1 527 . 19 1 1 A 56 56 THR H H 56 9.389 8.980 0.409 1
1 528 . 19 1 1 A 56 56 THR HA H 56 5.201 4.880 0.321 1
1 533 . 19 1 1 A 56 56 THR CA C 56 60.940 59.658 1.282 1
1 534 . 19 1 1 A 56 56 THR CB C 56 70.961 71.491 -0.530 1
1 536 . 19 1 1 A 56 56 THR N N 56 117.434 118.306 -0.872 1
1 537 . 19 1 1 A 57 57 CYS H H 57 8.665 8.585 0.080 1
1 538 . 19 1 1 A 57 57 CYS HA H 57 4.827 4.951 -0.124 1
1 541 . 19 1 1 A 57 57 CYS CA C 57 56.272 54.576 1.696 1
1 542 . 19 1 1 A 57 57 CYS CB C 57 37.251 43.548 -6.297 1
1 543 . 19 1 1 A 57 57 CYS N N 57 126.085 123.023 3.062 1
1 544 . 19 1 1 A 58 58 ILE H H 58 9.150 9.479 -0.329 1
1 545 . 19 1 1 A 58 58 ILE HA H 58 4.297 4.284 0.013 1
1 555 . 19 1 1 A 58 58 ILE CA C 58 58.322 60.913 -2.591 1
1 556 . 19 1 1 A 58 58 ILE CB C 58 37.652 37.103 0.549 1
1 560 . 19 1 1 A 58 58 ILE N N 58 134.435 126.860 7.575 1
1 561 . 19 1 1 A 59 59 CYS H H 59 8.204 8.975 -0.771 1
1 562 . 19 1 1 A 59 59 CYS HA H 59 5.698 5.096 0.602 1
1 565 . 19 1 1 A 59 59 CYS CA C 59 51.508 54.947 -3.439 1
1 566 . 19 1 1 A 59 59 CYS CB C 59 36.523 43.822 -7.299 1
1 567 . 19 1 1 A 59 59 CYS N N 59 121.180 126.460 -5.280 1
1 8 . 20 1 1 A 2 2 ILE H H 2 8.299 8.770 -0.471 1
1 9 . 20 1 1 A 2 2 ILE HA H 2 4.139 -6.392 10.531 1
1 19 . 20 1 1 A 2 2 ILE CA C 2 61.463 60.275 1.188 1
1 20 . 20 1 1 A 2 2 ILE CB C 2 38.545 38.106 0.439 1
1 24 . 20 1 1 A 2 2 ILE N N 2 121.433 121.835 -0.402 1
1 25 . 20 1 1 A 3 3 VAL H H 3 8.245 8.028 0.217 1
1 26 . 20 1 1 A 3 3 VAL HA H 3 4.138 -7.190 11.328 1
1 34 . 20 1 1 A 3 3 VAL CA C 3 61.813 63.090 -1.277 1
1 35 . 20 1 1 A 3 3 VAL CB C 3 32.887 29.830 3.057 1
1 38 . 20 1 1 A 3 3 VAL N N 3 123.973 125.250 -1.277 1
1 39 . 20 1 1 A 4 4 ASP H H 4 8.320 7.806 0.514 1
1 40 . 20 1 1 A 4 4 ASP HA H 4 4.499 -6.039 10.538 1
1 43 . 20 1 1 A 4 4 ASP CA C 4 53.912 54.035 -0.123 1
1 44 . 20 1 1 A 4 4 ASP CB C 4 41.523 44.349 -2.826 1
1 45 . 20 1 1 A 4 4 ASP N N 4 123.308 119.492 3.816 1
1 46 . 20 1 1 A 5 5 CYS H H 5 7.560 8.836 -1.276 1
1 47 . 20 1 1 A 5 5 CYS HA H 5 5.355 -5.680 11.035 1
1 50 . 20 1 1 A 5 5 CYS CA C 5 54.544 54.939 -0.395 1
1 51 . 20 1 1 A 5 5 CYS CB C 5 44.815 44.758 0.057 1
1 52 . 20 1 1 A 5 5 CYS N N 5 121.272 122.966 -1.694 1
1 53 . 20 1 1 A 6 6 TRP H H 6 9.768 9.730 0.038 1
1 54 . 20 1 1 A 6 6 TRP HA H 6 4.727 5.471 -0.744 1
1 58 . 20 1 1 A 6 6 TRP CB C 6 34.880 34.832 0.048 1
1 59 . 20 1 1 A 6 6 TRP N N 6 120.939 119.445 1.494 1
1 61 . 20 1 1 A 7 7 GLU H H 7 10.518 8.867 1.651 1
1 62 . 20 1 1 A 7 7 GLU HA H 7 4.872 -6.421 11.293 1
1 66 . 20 1 1 A 7 7 GLU CA C 7 59.493 56.267 3.226 1
1 67 . 20 1 1 A 7 7 GLU CB C 7 31.264 30.155 1.109 1
1 69 . 20 1 1 A 7 7 GLU N N 7 119.048 120.692 -1.644 1
1 70 . 20 1 1 A 8 8 THR H H 8 7.112 7.997 -0.885 1
1 71 . 20 1 1 A 8 8 THR HA H 8 4.509 -6.417 10.926 1
1 76 . 20 1 1 A 8 8 THR CA C 8 57.991 60.834 -2.843 1
1 77 . 20 1 1 A 8 8 THR CB C 8 73.377 70.792 2.585 1
1 79 . 20 1 1 A 8 8 THR N N 8 103.295 113.937 -10.642 1
1 80 . 20 1 1 A 9 9 TRP H H 9 7.902 8.939 -1.037 1
1 81 . 20 1 1 A 9 9 TRP HA H 9 2.806 -6.585 9.391 1
1 85 . 20 1 1 A 9 9 TRP CA C 9 62.403 61.574 0.829 1
1 86 . 20 1 1 A 9 9 TRP CB C 9 26.876 30.002 -3.126 1
1 87 . 20 1 1 A 9 9 TRP N N 9 121.679 123.882 -2.203 1
1 89 . 20 1 1 A 10 10 SER H H 10 8.585 8.193 0.392 1
1 90 . 20 1 1 A 10 10 SER HA H 10 3.354 -6.593 9.947 1
1 93 . 20 1 1 A 10 10 SER CA C 10 61.924 61.288 0.636 1
1 94 . 20 1 1 A 10 10 SER CB C 10 62.121 63.009 -0.888 1
1 95 . 20 1 1 A 10 10 SER N N 10 114.940 115.259 -0.319 1
1 96 . 20 1 1 A 11 11 ARG H H 11 7.619 7.850 -0.231 1
1 97 . 20 1 1 A 11 11 ARG HA H 11 3.797 -6.780 10.577 1
1 103 . 20 1 1 A 11 11 ARG CA C 11 58.216 57.453 0.763 1
1 104 . 20 1 1 A 11 11 ARG CB C 11 30.189 28.911 1.278 1
1 107 . 20 1 1 A 11 11 ARG N N 11 120.414 118.947 1.467 1
1 108 . 20 1 1 A 12 12 CYS H H 12 6.939 7.754 -0.815 1
1 109 . 20 1 1 A 12 12 CYS HA H 12 2.633 -6.168 8.801 1
1 112 . 20 1 1 A 12 12 CYS CA C 12 58.084 56.379 1.705 1
1 113 . 20 1 1 A 12 12 CYS CB C 12 41.245 43.814 -2.569 1
1 114 . 20 1 1 A 12 12 CYS N N 12 114.990 116.881 -1.891 1
1 115 . 20 1 1 A 13 13 THR H H 13 7.600 7.523 0.077 1
1 116 . 20 1 1 A 13 13 THR HA H 13 3.346 -6.655 10.001 1
1 121 . 20 1 1 A 13 13 THR CA C 13 66.553 64.107 2.446 1
1 122 . 20 1 1 A 13 13 THR CB C 13 68.908 69.807 -0.899 1
1 124 . 20 1 1 A 13 13 THR N N 13 115.078 114.011 1.067 1
1 125 . 20 1 1 A 14 14 LYS H H 14 7.138 7.743 -0.605 1
1 126 . 20 1 1 A 14 14 LYS HA H 14 4.141 -6.255 10.396 1
1 132 . 20 1 1 A 14 14 LYS CA C 14 56.515 55.732 0.783 1
1 133 . 20 1 1 A 14 14 LYS CB C 14 33.392 33.714 -0.322 1
1 137 . 20 1 1 A 14 14 LYS N N 14 119.549 114.780 4.769 1
1 138 . 20 1 1 A 15 15 TRP H H 15 7.747 9.293 -1.546 1
1 139 . 20 1 1 A 15 15 TRP HA H 15 4.360 -5.883 10.243 1
1 143 . 20 1 1 A 15 15 TRP CA C 15 57.057 57.623 -0.566 1
1 144 . 20 1 1 A 15 15 TRP CB C 15 29.949 32.681 -2.732 1
1 145 . 20 1 1 A 15 15 TRP N N 15 122.233 126.646 -4.413 1
1 147 . 20 1 1 A 16 16 SER H H 16 7.845 8.135 -0.290 1
1 148 . 20 1 1 A 16 16 SER HA H 16 4.236 -6.102 10.338 1
1 151 . 20 1 1 A 16 16 SER CA C 16 57.866 57.501 0.365 1
1 152 . 20 1 1 A 16 16 SER CB C 16 64.242 65.704 -1.462 1
1 153 . 20 1 1 A 16 16 SER N N 16 116.282 118.292 -2.010 1
1 154 . 20 1 1 A 17 17 GLN H H 17 8.150 8.592 -0.442 1
1 155 . 20 1 1 A 17 17 GLN HA H 17 4.238 -6.918 11.156 1
1 159 . 20 1 1 A 17 17 GLN CA C 17 55.929 57.603 -1.674 1
1 160 . 20 1 1 A 17 17 GLN CB C 17 29.663 27.152 2.511 1
1 162 . 20 1 1 A 17 17 GLN N N 17 122.525 127.061 -4.536 1
1 163 . 20 1 1 A 18 18 GLY H H 18 8.313 8.307 0.006 1
1 164 . 20 1 1 A 18 18 GLY HA2 H 18 3.928 -6.899 10.827 1
1 165 . 20 1 1 A 18 18 GLY N N 18 110.285 110.503 -0.218 1
1 166 . 20 1 1 A 19 19 GLY H H 19 8.241 7.809 0.432 1
1 167 . 20 1 1 A 19 19 GLY HA2 H 19 3.939 -6.915 10.854 1
1 168 . 20 1 1 A 19 19 GLY N N 19 108.776 108.509 0.267 1
1 169 . 20 1 1 A 20 20 THR H H 20 8.166 7.682 0.484 1
1 170 . 20 1 1 A 20 20 THR HA H 20 4.318 -7.012 11.330 1
1 175 . 20 1 1 A 20 20 THR CA C 20 61.985 64.485 -2.500 1
1 176 . 20 1 1 A 20 20 THR CB C 20 69.591 66.258 3.333 1
1 178 . 20 1 1 A 20 20 THR N N 20 113.035 110.064 2.971 1
1 179 . 20 1 1 A 21 21 GLY H H 21 8.423 7.900 0.523 1
1 180 . 20 1 1 A 21 21 GLY HA2 H 21 3.836 -6.979 10.815 1
1 181 . 20 1 1 A 21 21 GLY HA3 H 21 4.047 -6.979 11.026 1
1 182 . 20 1 1 A 21 21 GLY CA C 21 45.397 47.015 -1.618 1
1 183 . 20 1 1 A 21 21 GLY N N 21 111.299 107.979 3.320 1
1 184 . 20 1 1 A 22 22 THR H H 22 7.915 8.503 -0.588 1
1 185 . 20 1 1 A 22 22 THR HA H 22 4.279 -6.319 10.598 1
1 190 . 20 1 1 A 22 22 THR CA C 22 61.845 60.991 0.854 1
1 191 . 20 1 1 A 22 22 THR CB C 22 69.755 69.124 0.631 1
1 193 . 20 1 1 A 22 22 THR N N 22 113.293 113.488 -0.195 1
1 194 . 20 1 1 A 23 23 LEU H H 23 8.132 8.211 -0.079 1
1 195 . 20 1 1 A 23 23 LEU HA H 23 4.282 -6.838 11.120 1
1 205 . 20 1 1 A 23 23 LEU CA C 23 55.052 55.904 -0.852 1
1 206 . 20 1 1 A 23 23 LEU CB C 23 42.511 40.139 2.372 1
1 210 . 20 1 1 A 23 23 LEU N N 23 124.055 118.651 5.404 1
1 211 . 20 1 1 A 24 24 TRP H H 24 8.011 8.716 -0.705 1
1 212 . 20 1 1 A 24 24 TRP HA H 24 4.694 -6.595 11.289 1
1 216 . 20 1 1 A 24 24 TRP CA C 24 56.611 60.376 -3.765 1
1 217 . 20 1 1 A 24 24 TRP CB C 24 30.203 28.502 1.701 1
1 218 . 20 1 1 A 24 24 TRP N N 24 122.196 119.096 3.100 1
1 220 . 20 1 1 A 25 25 LYS H H 25 8.384 6.833 1.551 1
1 221 . 20 1 1 A 25 25 LYS HA H 25 4.415 -6.894 11.309 1
1 228 . 20 1 1 A 25 25 LYS CB C 25 34.608 30.897 3.711 1
1 232 . 20 1 1 A 25 25 LYS N N 25 122.979 115.968 7.011 1
1 233 . 20 1 1 A 26 26 SER H H 26 8.703 8.482 0.221 1
1 234 . 20 1 1 A 26 26 SER HA H 26 4.689 -6.179 10.868 1
1 237 . 20 1 1 A 26 26 SER CA C 26 60.110 57.656 2.454 1
1 238 . 20 1 1 A 26 26 SER CB C 26 64.419 66.577 -2.158 1
1 239 . 20 1 1 A 26 26 SER N N 26 117.775 114.141 3.634 1
1 240 . 20 1 1 A 27 27 CYS H H 27 8.216 8.794 -0.578 1
1 241 . 20 1 1 A 27 27 CYS HA H 27 4.382 -6.591 10.973 1
1 244 . 20 1 1 A 27 27 CYS CA C 27 58.151 59.071 -0.920 1
1 245 . 20 1 1 A 27 27 CYS CB C 27 36.051 41.306 -5.255 1
1 246 . 20 1 1 A 27 27 CYS N N 27 119.629 121.654 -2.025 1
1 247 . 20 1 1 A 28 28 ASN H H 28 8.640 8.233 0.407 1
1 248 . 20 1 1 A 28 28 ASN HA H 28 4.039 -6.414 10.453 1
1 251 . 20 1 1 A 28 28 ASN CA C 28 57.688 56.544 1.144 1
1 252 . 20 1 1 A 28 28 ASN CB C 28 39.578 39.308 0.270 1
1 253 . 20 1 1 A 28 28 ASN N N 28 117.431 119.058 -1.627 1
1 254 . 20 1 1 A 29 29 ASP H H 29 7.910 8.359 -0.449 1
1 255 . 20 1 1 A 29 29 ASP HA H 29 4.290 -6.606 10.896 1
1 258 . 20 1 1 A 29 29 ASP CA C 29 57.649 57.482 0.167 1
1 259 . 20 1 1 A 29 29 ASP CB C 29 40.511 41.780 -1.269 1
1 260 . 20 1 1 A 29 29 ASP N N 29 117.680 119.401 -1.721 1
1 261 . 20 1 1 A 30 30 ARG H H 30 8.559 8.467 0.092 1
1 262 . 20 1 1 A 30 30 ARG HA H 30 3.792 -6.813 10.605 1
1 267 . 20 1 1 A 30 30 ARG CA C 30 59.243 59.073 0.170 1
1 268 . 20 1 1 A 30 30 ARG CB C 30 29.806 29.821 -0.015 1
1 271 . 20 1 1 A 30 30 ARG N N 30 121.907 117.815 4.092 1
1 272 . 20 1 1 A 31 31 CYS H H 31 8.066 7.756 0.310 1
1 273 . 20 1 1 A 31 31 CYS HA H 31 4.285 -6.384 10.669 1
1 276 . 20 1 1 A 31 31 CYS CA C 31 58.396 59.568 -1.172 1
1 277 . 20 1 1 A 31 31 CYS CB C 31 36.213 42.392 -6.179 1
1 278 . 20 1 1 A 31 31 CYS N N 31 117.122 118.103 -0.981 1
1 279 . 20 1 1 A 32 32 LYS H H 32 8.096 8.536 -0.440 1
1 280 . 20 1 1 A 32 32 LYS HA H 32 4.402 -6.928 11.330 1
1 286 . 20 1 1 A 32 32 LYS CA C 32 59.508 59.448 0.060 1
1 287 . 20 1 1 A 32 32 LYS CB C 32 31.698 32.075 -0.377 1
1 289 . 20 1 1 A 32 32 LYS N N 32 121.727 122.282 -0.555 1
1 290 . 20 1 1 A 33 33 GLU H H 33 8.131 8.654 -0.523 1
1 291 . 20 1 1 A 33 33 GLU HA H 33 4.090 -6.734 10.824 1
1 295 . 20 1 1 A 33 33 GLU CA C 33 59.018 58.483 0.535 1
1 296 . 20 1 1 A 33 33 GLU CB C 33 29.103 28.057 1.046 1
1 298 . 20 1 1 A 33 33 GLU N N 33 121.845 116.562 5.283 1
1 299 . 20 1 1 A 34 34 LEU H H 34 7.318 7.345 -0.027 1
1 300 . 20 1 1 A 34 34 LEU HA H 34 4.385 -6.584 10.969 1
1 310 . 20 1 1 A 34 34 LEU CA C 34 54.830 55.318 -0.488 1
1 311 . 20 1 1 A 34 34 LEU CB C 34 42.243 42.596 -0.353 1
1 315 . 20 1 1 A 34 34 LEU N N 34 117.966 119.262 -1.296 1
1 316 . 20 1 1 A 35 35 GLY H H 35 7.931 8.444 -0.513 1
1 317 . 20 1 1 A 35 35 GLY HA2 H 35 3.793 -6.969 10.762 1
1 318 . 20 1 1 A 35 35 GLY HA3 H 35 4.251 -6.969 11.220 1
1 319 . 20 1 1 A 35 35 GLY CA C 35 39.163 45.730 -6.567 1
1 320 . 20 1 1 A 35 35 GLY N N 35 107.160 106.443 0.717 1
1 321 . 20 1 1 A 36 36 ARG H H 36 7.772 7.782 -0.010 1
1 322 . 20 1 1 A 36 36 ARG HA H 36 4.700 -6.114 10.814 1
1 329 . 20 1 1 A 36 36 ARG CA C 36 52.697 54.115 -1.418 1
1 330 . 20 1 1 A 36 36 ARG CB C 36 27.998 32.926 -4.928 1
1 333 . 20 1 1 A 36 36 ARG N N 36 119.227 119.346 -0.119 1
1 334 . 20 1 1 A 37 37 LYS H H 37 9.057 8.976 0.081 1
1 335 . 20 1 1 A 37 37 LYS HA H 37 4.220 -6.600 10.820 1
1 342 . 20 1 1 A 37 37 LYS CA C 37 58.398 58.164 0.234 1
1 343 . 20 1 1 A 37 37 LYS CB C 37 33.797 33.209 0.588 1
1 346 . 20 1 1 A 37 37 LYS N N 37 119.506 121.028 -1.522 1
1 347 . 20 1 1 A 38 38 ARG H H 38 8.278 7.779 0.499 1
1 348 . 20 1 1 A 38 38 ARG HA H 38 4.721 -6.308 11.029 1
1 354 . 20 1 1 A 38 38 ARG CA C 38 54.582 54.692 -0.110 1
1 355 . 20 1 1 A 38 38 ARG CB C 38 32.642 32.222 0.420 1
1 358 . 20 1 1 A 38 38 ARG N N 38 113.248 113.605 -0.357 1
1 359 . 20 1 1 A 39 39 GLY H H 39 9.055 8.448 0.607 1
1 360 . 20 1 1 A 39 39 GLY HA2 H 39 3.895 -6.540 10.435 1
1 361 . 20 1 1 A 39 39 GLY HA3 H 39 5.551 -6.540 12.091 1
1 362 . 20 1 1 A 39 39 GLY CA C 39 46.770 44.380 2.390 1
1 363 . 20 1 1 A 39 39 GLY N N 39 107.276 106.296 0.980 1
1 364 . 20 1 1 A 40 40 GLN H H 40 9.453 9.176 0.277 1
1 365 . 20 1 1 A 40 40 GLN HA H 40 4.717 -6.146 10.863 1
1 370 . 20 1 1 A 40 40 GLN CA C 40 54.463 54.213 0.250 1
1 371 . 20 1 1 A 40 40 GLN CB C 40 32.364 31.657 0.707 1
1 373 . 20 1 1 A 40 40 GLN N N 40 120.430 121.738 -1.308 1
1 374 . 20 1 1 A 41 41 CYS H H 41 9.208 8.617 0.591 1
1 375 . 20 1 1 A 41 41 CYS HA H 41 5.935 -6.016 11.951 1
1 378 . 20 1 1 A 41 41 CYS CA C 41 59.537 55.120 4.417 1
1 379 . 20 1 1 A 41 41 CYS CB C 41 48.386 42.538 5.848 1
1 380 . 20 1 1 A 41 41 CYS N N 41 122.768 122.330 0.438 1
1 381 . 20 1 1 A 42 42 GLU H H 42 9.529 8.760 0.769 1
1 382 . 20 1 1 A 42 42 GLU HA H 42 5.066 -6.099 11.165 1
1 386 . 20 1 1 A 42 42 GLU CA C 42 54.869 54.652 0.217 1
1 387 . 20 1 1 A 42 42 GLU CB C 42 35.149 33.064 2.085 1
1 389 . 20 1 1 A 42 42 GLU N N 42 122.626 124.810 -2.184 1
1 390 . 20 1 1 A 43 43 GLU H H 43 8.450 8.606 -0.156 1
1 391 . 20 1 1 A 43 43 GLU HA H 43 3.973 -6.584 10.557 1
1 396 . 20 1 1 A 43 43 GLU CA C 43 55.920 57.443 -1.523 1
1 397 . 20 1 1 A 43 43 GLU CB C 43 29.068 30.381 -1.313 1
1 399 . 20 1 1 A 43 43 GLU N N 43 122.712 120.913 1.799 1
1 400 . 20 1 1 A 44 44 LYS H H 44 8.051 7.790 0.261 1
1 401 . 20 1 1 A 44 44 LYS HA H 44 4.858 -7.028 11.886 1
1 408 . 20 1 1 A 44 44 LYS CA C 44 51.858 56.703 -4.845 1
1 409 . 20 1 1 A 44 44 LYS CB C 44 33.736 30.977 2.759 1
1 413 . 20 1 1 A 44 44 LYS N N 44 124.525 117.991 6.534 1
1 414 . 20 1 1 A 45 45 PRO HA H 45 4.371 -6.373 10.744 1
1 421 . 20 1 1 A 45 45 PRO CA C 45 64.556 63.429 1.127 1
1 422 . 20 1 1 A 45 45 PRO CB C 45 31.781 30.964 0.817 1
1 425 . 20 1 1 A 46 46 SER H H 46 8.132 8.526 -0.394 1
1 426 . 20 1 1 A 46 46 SER HA H 46 4.119 -6.470 10.589 1
1 429 . 20 1 1 A 46 46 SER CA C 46 60.190 59.159 1.031 1
1 430 . 20 1 1 A 46 46 SER CB C 46 62.093 63.649 -1.556 1
1 431 . 20 1 1 A 46 46 SER N N 46 109.975 113.563 -3.588 1
1 432 . 20 1 1 A 47 47 ARG H H 47 7.381 7.994 -0.613 1
1 433 . 20 1 1 A 47 47 ARG HA H 47 4.448 -6.452 10.900 1
1 438 . 20 1 1 A 47 47 ARG CA C 47 56.257 55.167 1.090 1
1 439 . 20 1 1 A 47 47 ARG CB C 47 32.699 30.396 2.303 1
1 442 . 20 1 1 A 47 47 ARG N N 47 120.043 119.064 0.979 1
1 443 . 20 1 1 A 48 48 CYS H H 48 7.864 7.715 0.149 1
1 444 . 20 1 1 A 48 48 CYS HA H 48 5.145 -5.866 11.011 1
1 447 . 20 1 1 A 48 48 CYS CA C 48 52.322 53.011 -0.689 1
1 448 . 20 1 1 A 48 48 CYS CB C 48 41.255 44.151 -2.896 1
1 449 . 20 1 1 A 48 48 CYS N N 48 118.806 120.349 -1.543 1
1 450 . 20 1 1 A 49 49 PRO HA H 49 4.475 -6.460 10.935 1
1 457 . 20 1 1 A 49 49 PRO CA C 49 64.149 64.165 -0.016 1
1 458 . 20 1 1 A 49 49 PRO CB C 49 32.684 32.382 0.302 1
1 461 . 20 1 1 A 50 50 LEU H H 50 8.839 7.943 0.896 1
1 462 . 20 1 1 A 50 50 LEU HA H 50 4.436 -6.142 10.578 1
1 472 . 20 1 1 A 50 50 LEU CA C 50 54.154 53.117 1.037 1
1 473 . 20 1 1 A 50 50 LEU CB C 50 41.344 43.965 -2.621 1
1 477 . 20 1 1 A 50 50 LEU N N 50 122.400 119.534 2.866 1
1 478 . 20 1 1 A 51 51 SER H H 51 8.563 8.450 0.113 1
1 479 . 20 1 1 A 51 51 SER HA H 51 4.042 -6.319 10.361 1
1 481 . 20 1 1 A 51 51 SER CA C 51 60.771 58.365 2.406 1
1 482 . 20 1 1 A 51 51 SER CB C 51 62.818 64.727 -1.909 1
1 483 . 20 1 1 A 51 51 SER N N 51 120.571 114.778 5.793 1
1 484 . 20 1 1 A 52 52 LYS H H 52 8.067 8.125 -0.058 1
1 485 . 20 1 1 A 52 52 LYS HA H 52 4.324 -6.578 10.902 1
1 491 . 20 1 1 A 52 52 LYS CA C 52 56.796 56.613 0.183 1
1 492 . 20 1 1 A 52 52 LYS CB C 52 31.870 32.729 -0.859 1
1 496 . 20 1 1 A 52 52 LYS N N 52 117.675 119.451 -1.776 1
1 497 . 20 1 1 A 53 53 LYS H H 53 7.619 7.823 -0.204 1
1 498 . 20 1 1 A 53 53 LYS HA H 53 4.426 -6.448 10.874 1
1 504 . 20 1 1 A 53 53 LYS CA C 53 55.204 57.427 -2.223 1
1 505 . 20 1 1 A 53 53 LYS CB C 53 33.881 34.215 -0.334 1
1 509 . 20 1 1 A 53 53 LYS N N 53 122.168 117.808 4.360 1
1 510 . 20 1 1 A 54 54 ALA H H 54 8.485 7.695 0.790 1
1 511 . 20 1 1 A 54 54 ALA HA H 54 4.410 -6.944 11.354 1
1 515 . 20 1 1 A 54 54 ALA CA C 54 53.135 54.895 -1.760 1
1 516 . 20 1 1 A 54 54 ALA CB C 54 21.208 17.078 4.130 1
1 517 . 20 1 1 A 54 54 ALA N N 54 122.332 119.511 2.821 1
1 518 . 20 1 1 A 55 55 TRP H H 55 8.517 8.227 0.290 1
1 519 . 20 1 1 A 55 55 TRP HA H 55 4.676 -6.169 10.845 1
1 523 . 20 1 1 A 55 55 TRP CA C 55 57.259 57.838 -0.579 1
1 524 . 20 1 1 A 55 55 TRP CB C 55 30.373 30.781 -0.408 1
1 525 . 20 1 1 A 55 55 TRP N N 55 117.762 118.786 -1.024 1
1 527 . 20 1 1 A 56 56 THR H H 56 9.389 9.277 0.112 1
1 528 . 20 1 1 A 56 56 THR HA H 56 5.201 -6.059 11.260 1
1 533 . 20 1 1 A 56 56 THR CA C 56 60.940 61.310 -0.370 1
1 534 . 20 1 1 A 56 56 THR CB C 56 70.961 71.794 -0.833 1
1 536 . 20 1 1 A 56 56 THR N N 56 117.434 115.573 1.861 1
1 537 . 20 1 1 A 57 57 CYS H H 57 8.665 9.525 -0.860 1
1 538 . 20 1 1 A 57 57 CYS HA H 57 4.827 -6.217 11.044 1
1 541 . 20 1 1 A 57 57 CYS CA C 57 56.272 56.230 0.042 1
1 542 . 20 1 1 A 57 57 CYS CB C 57 37.251 42.309 -5.058 1
1 543 . 20 1 1 A 57 57 CYS N N 57 126.085 125.644 0.441 1
1 544 . 20 1 1 A 58 58 ILE H H 58 9.150 8.883 0.267 1
1 545 . 20 1 1 A 58 58 ILE HA H 58 4.297 -6.683 10.980 1
1 555 . 20 1 1 A 58 58 ILE CA C 58 58.322 61.638 -3.316 1
1 556 . 20 1 1 A 58 58 ILE CB C 58 37.652 37.836 -0.184 1
1 560 . 20 1 1 A 58 58 ILE N N 58 134.435 126.861 7.574 1
1 561 . 20 1 1 A 59 59 CYS H H 59 8.204 8.596 -0.392 1
1 562 . 20 1 1 A 59 59 CYS HA H 59 5.698 -6.171 11.869 1
1 565 . 20 1 1 A 59 59 CYS CA C 59 51.508 56.066 -4.558 1
1 566 . 20 1 1 A 59 59 CYS CB C 59 36.523 41.965 -5.442 1
1 567 . 20 1 1 A 59 59 CYS N N 59 121.180 125.929 -4.749 1
1 8 . 21 1 1 A 2 2 ILE H H 2 8.299 8.564 -0.265 1
1 9 . 21 1 1 A 2 2 ILE HA H 2 4.139 -0.569 4.708 1
1 19 . 21 1 1 A 2 2 ILE CA C 2 61.463 62.897 -1.434 1
1 20 . 21 1 1 A 2 2 ILE CB C 2 38.545 38.646 -0.101 1
1 24 . 21 1 1 A 2 2 ILE N N 2 121.433 126.172 -4.739 1
1 25 . 21 1 1 A 3 3 VAL H H 3 8.245 7.967 0.278 1
1 26 . 21 1 1 A 3 3 VAL HA H 3 4.138 -1.088 5.226 1
1 34 . 21 1 1 A 3 3 VAL CA C 3 61.813 63.062 -1.249 1
1 35 . 21 1 1 A 3 3 VAL CB C 3 32.887 29.619 3.268 1
1 38 . 21 1 1 A 3 3 VAL N N 3 123.973 118.686 5.287 1
1 39 . 21 1 1 A 4 4 ASP H H 4 8.320 7.752 0.568 1
1 40 . 21 1 1 A 4 4 ASP HA H 4 4.499 0.172 4.327 1
1 43 . 21 1 1 A 4 4 ASP CA C 4 53.912 53.825 0.087 1
1 44 . 21 1 1 A 4 4 ASP CB C 4 41.523 44.163 -2.640 1
1 45 . 21 1 1 A 4 4 ASP N N 4 123.308 119.411 3.897 1
1 46 . 21 1 1 A 5 5 CYS H H 5 7.560 8.647 -1.087 1
1 47 . 21 1 1 A 5 5 CYS HA H 5 5.355 0.300 5.055 1
1 50 . 21 1 1 A 5 5 CYS CA C 5 54.544 55.157 -0.613 1
1 51 . 21 1 1 A 5 5 CYS CB C 5 44.815 44.450 0.365 1
1 52 . 21 1 1 A 5 5 CYS N N 5 121.272 122.282 -1.010 1
1 53 . 21 1 1 A 6 6 TRP H H 6 9.768 9.558 0.210 1
1 54 . 21 1 1 A 6 6 TRP HA H 6 4.727 5.291 -0.564 1
1 58 . 21 1 1 A 6 6 TRP CB C 6 34.880 35.153 -0.273 1
1 59 . 21 1 1 A 6 6 TRP N N 6 120.939 119.298 1.641 1
1 61 . 21 1 1 A 7 7 GLU H H 7 10.518 9.407 1.111 1
1 62 . 21 1 1 A 7 7 GLU HA H 7 4.872 -0.241 5.113 1
1 66 . 21 1 1 A 7 7 GLU CA C 7 59.493 56.812 2.681 1
1 67 . 21 1 1 A 7 7 GLU CB C 7 31.264 30.666 0.598 1
1 69 . 21 1 1 A 7 7 GLU N N 7 119.048 121.312 -2.264 1
1 70 . 21 1 1 A 8 8 THR H H 8 7.112 8.348 -1.236 1
1 71 . 21 1 1 A 8 8 THR HA H 8 4.509 -0.201 4.710 1
1 76 . 21 1 1 A 8 8 THR CA C 8 57.991 60.966 -2.975 1
1 77 . 21 1 1 A 8 8 THR CB C 8 73.377 70.938 2.439 1
1 79 . 21 1 1 A 8 8 THR N N 8 103.295 114.198 -10.903 1
1 80 . 21 1 1 A 9 9 TRP H H 9 7.902 9.012 -1.110 1
1 81 . 21 1 1 A 9 9 TRP HA H 9 2.806 -0.414 3.220 1
1 85 . 21 1 1 A 9 9 TRP CA C 9 62.403 61.376 1.027 1
1 86 . 21 1 1 A 9 9 TRP CB C 9 26.876 30.101 -3.225 1
1 87 . 21 1 1 A 9 9 TRP N N 9 121.679 124.337 -2.658 1
1 89 . 21 1 1 A 10 10 SER H H 10 8.585 8.354 0.231 1
1 90 . 21 1 1 A 10 10 SER HA H 10 3.354 -0.333 3.687 1
1 93 . 21 1 1 A 10 10 SER CA C 10 61.924 60.968 0.956 1
1 94 . 21 1 1 A 10 10 SER CB C 10 62.121 63.196 -1.075 1
1 95 . 21 1 1 A 10 10 SER N N 10 114.940 115.487 -0.547 1
1 96 . 21 1 1 A 11 11 ARG H H 11 7.619 7.604 0.015 1
1 97 . 21 1 1 A 11 11 ARG HA H 11 3.797 -0.252 4.049 1
1 103 . 21 1 1 A 11 11 ARG CA C 11 58.216 56.158 2.058 1
1 104 . 21 1 1 A 11 11 ARG CB C 11 30.189 30.076 0.113 1
1 107 . 21 1 1 A 11 11 ARG N N 11 120.414 117.099 3.315 1
1 108 . 21 1 1 A 12 12 CYS H H 12 6.939 7.787 -0.848 1
1 109 . 21 1 1 A 12 12 CYS HA H 12 2.633 0.136 2.497 1
1 112 . 21 1 1 A 12 12 CYS CA C 12 58.084 55.695 2.389 1
1 113 . 21 1 1 A 12 12 CYS CB C 12 41.245 43.659 -2.414 1
1 114 . 21 1 1 A 12 12 CYS N N 12 114.990 116.661 -1.671 1
1 115 . 21 1 1 A 13 13 THR H H 13 7.600 7.750 -0.150 1
1 116 . 21 1 1 A 13 13 THR HA H 13 3.346 -0.166 3.512 1
1 121 . 21 1 1 A 13 13 THR CA C 13 66.553 62.428 4.125 1
1 122 . 21 1 1 A 13 13 THR CB C 13 68.908 69.869 -0.961 1
1 124 . 21 1 1 A 13 13 THR N N 13 115.078 109.547 5.531 1
1 125 . 21 1 1 A 14 14 LYS H H 14 7.138 7.695 -0.557 1
1 126 . 21 1 1 A 14 14 LYS HA H 14 4.141 -0.181 4.322 1
1 132 . 21 1 1 A 14 14 LYS CA C 14 56.515 55.504 1.011 1
1 133 . 21 1 1 A 14 14 LYS CB C 14 33.392 31.947 1.445 1
1 137 . 21 1 1 A 14 14 LYS N N 14 119.549 118.979 0.570 1
1 138 . 21 1 1 A 15 15 TRP H H 15 7.747 8.206 -0.459 1
1 139 . 21 1 1 A 15 15 TRP HA H 15 4.360 0.068 4.292 1
1 143 . 21 1 1 A 15 15 TRP CA C 15 57.057 56.599 0.458 1
1 144 . 21 1 1 A 15 15 TRP CB C 15 29.949 30.418 -0.469 1
1 145 . 21 1 1 A 15 15 TRP N N 15 122.233 124.293 -2.060 1
1 147 . 21 1 1 A 16 16 SER H H 16 7.845 7.889 -0.044 1
1 148 . 21 1 1 A 16 16 SER HA H 16 4.236 -0.375 4.611 1
1 151 . 21 1 1 A 16 16 SER CA C 16 57.866 59.977 -2.111 1
1 152 . 21 1 1 A 16 16 SER CB C 16 64.242 62.849 1.393 1
1 153 . 21 1 1 A 16 16 SER N N 16 116.282 116.752 -0.470 1
1 154 . 21 1 1 A 17 17 GLN H H 17 8.150 9.073 -0.923 1
1 155 . 21 1 1 A 17 17 GLN HA H 17 4.238 -0.490 4.728 1
1 159 . 21 1 1 A 17 17 GLN CA C 17 55.929 56.791 -0.862 1
1 160 . 21 1 1 A 17 17 GLN CB C 17 29.663 26.494 3.169 1
1 162 . 21 1 1 A 17 17 GLN N N 17 122.525 125.004 -2.479 1
1 163 . 21 1 1 A 18 18 GLY H H 18 8.313 7.890 0.423 1
1 164 . 21 1 1 A 18 18 GLY HA2 H 18 3.928 -0.722 4.650 1
1 165 . 21 1 1 A 18 18 GLY N N 18 110.285 108.810 1.475 1
1 166 . 21 1 1 A 19 19 GLY H H 19 8.241 7.920 0.321 1
1 167 . 21 1 1 A 19 19 GLY HA2 H 19 3.939 -0.897 4.836 1
1 168 . 21 1 1 A 19 19 GLY N N 19 108.776 109.237 -0.461 1
1 169 . 21 1 1 A 20 20 THR H H 20 8.166 7.528 0.638 1
1 170 . 21 1 1 A 20 20 THR HA H 20 4.318 -0.808 5.126 1
1 175 . 21 1 1 A 20 20 THR CA C 20 61.985 63.026 -1.041 1
1 176 . 21 1 1 A 20 20 THR CB C 20 69.591 66.817 2.774 1
1 178 . 21 1 1 A 20 20 THR N N 20 113.035 109.089 3.946 1
1 179 . 21 1 1 A 21 21 GLY H H 21 8.423 8.114 0.309 1
1 180 . 21 1 1 A 21 21 GLY HA2 H 21 3.836 -0.927 4.763 1
1 181 . 21 1 1 A 21 21 GLY HA3 H 21 4.047 -0.927 4.974 1
1 182 . 21 1 1 A 21 21 GLY CA C 21 45.397 46.812 -1.415 1
1 183 . 21 1 1 A 21 21 GLY N N 21 111.299 108.329 2.970 1
1 184 . 21 1 1 A 22 22 THR H H 22 7.915 7.855 0.060 1
1 185 . 21 1 1 A 22 22 THR HA H 22 4.279 -0.534 4.813 1
1 190 . 21 1 1 A 22 22 THR CA C 22 61.845 65.301 -3.456 1
1 191 . 21 1 1 A 22 22 THR CB C 22 69.755 69.434 0.321 1
1 193 . 21 1 1 A 22 22 THR N N 22 113.293 116.690 -3.397 1
1 194 . 21 1 1 A 23 23 LEU H H 23 8.132 7.796 0.336 1
1 195 . 21 1 1 A 23 23 LEU HA H 23 4.282 -0.025 4.307 1
1 205 . 21 1 1 A 23 23 LEU CA C 23 55.052 53.788 1.264 1
1 206 . 21 1 1 A 23 23 LEU CB C 23 42.511 40.710 1.801 1
1 210 . 21 1 1 A 23 23 LEU N N 23 124.055 119.967 4.088 1
1 211 . 21 1 1 A 24 24 TRP H H 24 8.011 7.948 0.063 1
1 212 . 21 1 1 A 24 24 TRP HA H 24 4.694 -0.135 4.829 1
1 216 . 21 1 1 A 24 24 TRP CA C 24 56.611 57.773 -1.162 1
1 217 . 21 1 1 A 24 24 TRP CB C 24 30.203 29.481 0.722 1
1 218 . 21 1 1 A 24 24 TRP N N 24 122.196 120.968 1.228 1
1 220 . 21 1 1 A 25 25 LYS H H 25 8.384 7.290 1.094 1
1 221 . 21 1 1 A 25 25 LYS HA H 25 4.415 -0.574 4.989 1
1 228 . 21 1 1 A 25 25 LYS CB C 25 34.608 32.854 1.754 1
1 232 . 21 1 1 A 25 25 LYS N N 25 122.979 122.728 0.251 1
1 233 . 21 1 1 A 26 26 SER H H 26 8.703 8.690 0.013 1
1 234 . 21 1 1 A 26 26 SER HA H 26 4.689 -0.338 5.027 1
1 237 . 21 1 1 A 26 26 SER CA C 26 60.110 58.965 1.145 1
1 238 . 21 1 1 A 26 26 SER CB C 26 64.419 63.582 0.837 1
1 239 . 21 1 1 A 26 26 SER N N 26 117.775 122.326 -4.551 1
1 240 . 21 1 1 A 27 27 CYS H H 27 8.216 8.764 -0.548 1
1 241 . 21 1 1 A 27 27 CYS HA H 27 4.382 -0.455 4.837 1
1 244 . 21 1 1 A 27 27 CYS CA C 27 58.151 59.255 -1.104 1
1 245 . 21 1 1 A 27 27 CYS CB C 27 36.051 41.443 -5.392 1
1 246 . 21 1 1 A 27 27 CYS N N 27 119.629 122.343 -2.714 1
1 247 . 21 1 1 A 28 28 ASN H H 28 8.640 8.229 0.411 1
1 248 . 21 1 1 A 28 28 ASN HA H 28 4.039 -0.307 4.346 1
1 251 . 21 1 1 A 28 28 ASN CA C 28 57.688 56.623 1.065 1
1 252 . 21 1 1 A 28 28 ASN CB C 28 39.578 39.343 0.235 1
1 253 . 21 1 1 A 28 28 ASN N N 28 117.431 119.169 -1.738 1
1 254 . 21 1 1 A 29 29 ASP H H 29 7.910 8.355 -0.445 1
1 255 . 21 1 1 A 29 29 ASP HA H 29 4.290 -0.388 4.678 1
1 258 . 21 1 1 A 29 29 ASP CA C 29 57.649 57.508 0.141 1
1 259 . 21 1 1 A 29 29 ASP CB C 29 40.511 41.045 -0.534 1
1 260 . 21 1 1 A 29 29 ASP N N 29 117.680 119.258 -1.578 1
1 261 . 21 1 1 A 30 30 ARG H H 30 8.559 8.106 0.453 1
1 262 . 21 1 1 A 30 30 ARG HA H 30 3.792 -0.738 4.530 1
1 267 . 21 1 1 A 30 30 ARG CA C 30 59.243 59.459 -0.216 1
1 268 . 21 1 1 A 30 30 ARG CB C 30 29.806 29.769 0.037 1
1 271 . 21 1 1 A 30 30 ARG N N 30 121.907 117.721 4.186 1
1 272 . 21 1 1 A 31 31 CYS H H 31 8.066 8.358 -0.292 1
1 273 . 21 1 1 A 31 31 CYS HA H 31 4.285 -0.275 4.560 1
1 276 . 21 1 1 A 31 31 CYS CA C 31 58.396 60.371 -1.975 1
1 277 . 21 1 1 A 31 31 CYS CB C 31 36.213 41.748 -5.535 1
1 278 . 21 1 1 A 31 31 CYS N N 31 117.122 118.293 -1.171 1
1 279 . 21 1 1 A 32 32 LYS H H 32 8.096 8.017 0.079 1
1 280 . 21 1 1 A 32 32 LYS HA H 32 4.402 -0.730 5.132 1
1 286 . 21 1 1 A 32 32 LYS CA C 32 59.508 59.958 -0.450 1
1 287 . 21 1 1 A 32 32 LYS CB C 32 31.698 32.236 -0.538 1
1 289 . 21 1 1 A 32 32 LYS N N 32 121.727 120.166 1.561 1
1 290 . 21 1 1 A 33 33 GLU H H 33 8.131 8.822 -0.691 1
1 291 . 21 1 1 A 33 33 GLU HA H 33 4.090 -0.572 4.662 1
1 295 . 21 1 1 A 33 33 GLU CA C 33 59.018 58.593 0.425 1
1 296 . 21 1 1 A 33 33 GLU CB C 33 29.103 27.967 1.136 1
1 298 . 21 1 1 A 33 33 GLU N N 33 121.845 118.414 3.431 1
1 299 . 21 1 1 A 34 34 LEU H H 34 7.318 7.563 -0.245 1
1 300 . 21 1 1 A 34 34 LEU HA H 34 4.385 -0.363 4.748 1
1 310 . 21 1 1 A 34 34 LEU CA C 34 54.830 55.194 -0.364 1
1 311 . 21 1 1 A 34 34 LEU CB C 34 42.243 42.318 -0.075 1
1 315 . 21 1 1 A 34 34 LEU N N 34 117.966 119.214 -1.248 1
1 316 . 21 1 1 A 35 35 GLY H H 35 7.931 8.563 -0.632 1
1 317 . 21 1 1 A 35 35 GLY HA2 H 35 3.793 -0.811 4.604 1
1 318 . 21 1 1 A 35 35 GLY HA3 H 35 4.251 -0.811 5.062 1
1 319 . 21 1 1 A 35 35 GLY CA C 35 39.163 46.022 -6.859 1
1 320 . 21 1 1 A 35 35 GLY N N 35 107.160 106.535 0.625 1
1 321 . 21 1 1 A 36 36 ARG H H 36 7.772 7.872 -0.100 1
1 322 . 21 1 1 A 36 36 ARG HA H 36 4.700 0.136 4.564 1
1 329 . 21 1 1 A 36 36 ARG CA C 36 52.697 54.143 -1.446 1
1 330 . 21 1 1 A 36 36 ARG CB C 36 27.998 33.443 -5.445 1
1 333 . 21 1 1 A 36 36 ARG N N 36 119.227 119.434 -0.207 1
1 334 . 21 1 1 A 37 37 LYS H H 37 9.057 8.898 0.159 1
1 335 . 21 1 1 A 37 37 LYS HA H 37 4.220 -0.352 4.572 1
1 342 . 21 1 1 A 37 37 LYS CA C 37 58.398 57.799 0.599 1
1 343 . 21 1 1 A 37 37 LYS CB C 37 33.797 32.823 0.974 1
1 346 . 21 1 1 A 37 37 LYS N N 37 119.506 120.413 -0.907 1
1 347 . 21 1 1 A 38 38 ARG H H 38 8.278 7.845 0.433 1
1 348 . 21 1 1 A 38 38 ARG HA H 38 4.721 0.023 4.698 1
1 354 . 21 1 1 A 38 38 ARG CA C 38 54.582 54.565 0.017 1
1 355 . 21 1 1 A 38 38 ARG CB C 38 32.642 33.118 -0.476 1
1 358 . 21 1 1 A 38 38 ARG N N 38 113.248 114.159 -0.911 1
1 359 . 21 1 1 A 39 39 GLY H H 39 9.055 8.466 0.589 1
1 360 . 21 1 1 A 39 39 GLY HA2 H 39 3.895 -0.350 4.245 1
1 361 . 21 1 1 A 39 39 GLY HA3 H 39 5.551 -0.350 5.901 1
1 362 . 21 1 1 A 39 39 GLY CA C 39 46.770 44.430 2.340 1
1 363 . 21 1 1 A 39 39 GLY N N 39 107.276 106.367 0.909 1
1 364 . 21 1 1 A 40 40 GLN H H 40 9.453 9.664 -0.211 1
1 365 . 21 1 1 A 40 40 GLN HA H 40 4.717 -0.075 4.792 1
1 370 . 21 1 1 A 40 40 GLN CA C 40 54.463 54.965 -0.502 1
1 371 . 21 1 1 A 40 40 GLN CB C 40 32.364 29.331 3.033 1
1 373 . 21 1 1 A 40 40 GLN N N 40 120.430 123.037 -2.607 1
1 374 . 21 1 1 A 41 41 CYS H H 41 9.208 8.384 0.824 1
1 375 . 21 1 1 A 41 41 CYS HA H 41 5.935 -0.032 5.967 1
1 378 . 21 1 1 A 41 41 CYS CA C 41 59.537 55.401 4.136 1
1 379 . 21 1 1 A 41 41 CYS CB C 41 48.386 42.208 6.178 1
1 380 . 21 1 1 A 41 41 CYS N N 41 122.768 124.391 -1.623 1
1 381 . 21 1 1 A 42 42 GLU H H 42 9.529 8.800 0.729 1
1 382 . 21 1 1 A 42 42 GLU HA H 42 5.066 -0.077 5.143 1
1 386 . 21 1 1 A 42 42 GLU CA C 42 54.869 54.592 0.277 1
1 387 . 21 1 1 A 42 42 GLU CB C 42 35.149 32.390 2.759 1
1 389 . 21 1 1 A 42 42 GLU N N 42 122.626 126.561 -3.935 1
1 390 . 21 1 1 A 43 43 GLU H H 43 8.450 9.172 -0.722 1
1 391 . 21 1 1 A 43 43 GLU HA H 43 3.973 -0.730 4.703 1
1 396 . 21 1 1 A 43 43 GLU CA C 43 55.920 59.416 -3.496 1
1 397 . 21 1 1 A 43 43 GLU CB C 43 29.068 29.772 -0.704 1
1 399 . 21 1 1 A 43 43 GLU N N 43 122.712 122.703 0.009 1
1 400 . 21 1 1 A 44 44 LYS H H 44 8.051 7.946 0.105 1
1 401 . 21 1 1 A 44 44 LYS HA H 44 4.858 -0.782 5.640 1
1 408 . 21 1 1 A 44 44 LYS CA C 44 51.858 56.828 -4.970 1
1 409 . 21 1 1 A 44 44 LYS CB C 44 33.736 30.970 2.766 1
1 413 . 21 1 1 A 44 44 LYS N N 44 124.525 119.877 4.648 1
1 414 . 21 1 1 A 45 45 PRO HA H 45 4.371 -0.168 4.539 1
1 421 . 21 1 1 A 45 45 PRO CA C 45 64.556 62.952 1.604 1
1 422 . 21 1 1 A 45 45 PRO CB C 45 31.781 30.050 1.731 1
1 425 . 21 1 1 A 46 46 SER H H 46 8.132 8.392 -0.260 1
1 426 . 21 1 1 A 46 46 SER HA H 46 4.119 -0.012 4.131 1
1 429 . 21 1 1 A 46 46 SER CA C 46 60.190 58.247 1.943 1
1 430 . 21 1 1 A 46 46 SER CB C 46 62.093 64.443 -2.350 1
1 431 . 21 1 1 A 46 46 SER N N 46 109.975 117.477 -7.502 1
1 432 . 21 1 1 A 47 47 ARG H H 47 7.381 7.909 -0.528 1
1 433 . 21 1 1 A 47 47 ARG HA H 47 4.448 -0.232 4.680 1
1 438 . 21 1 1 A 47 47 ARG CA C 47 56.257 54.886 1.371 1
1 439 . 21 1 1 A 47 47 ARG CB C 47 32.699 30.293 2.406 1
1 442 . 21 1 1 A 47 47 ARG N N 47 120.043 118.642 1.401 1
1 443 . 21 1 1 A 48 48 CYS H H 48 7.864 7.547 0.317 1
1 444 . 21 1 1 A 48 48 CYS HA H 48 5.145 0.261 4.884 1
1 447 . 21 1 1 A 48 48 CYS CA C 48 52.322 52.977 -0.655 1
1 448 . 21 1 1 A 48 48 CYS CB C 48 41.255 43.546 -2.291 1
1 449 . 21 1 1 A 48 48 CYS N N 48 118.806 120.331 -1.525 1
1 450 . 21 1 1 A 49 49 PRO HA H 49 4.475 -0.196 4.671 1
1 457 . 21 1 1 A 49 49 PRO CA C 49 64.149 63.878 0.271 1
1 458 . 21 1 1 A 49 49 PRO CB C 49 32.684 31.994 0.690 1
1 461 . 21 1 1 A 50 50 LEU H H 50 8.839 7.646 1.193 1
1 462 . 21 1 1 A 50 50 LEU HA H 50 4.436 -0.006 4.442 1
1 472 . 21 1 1 A 50 50 LEU CA C 50 54.154 52.761 1.393 1
1 473 . 21 1 1 A 50 50 LEU CB C 50 41.344 44.516 -3.172 1
1 477 . 21 1 1 A 50 50 LEU N N 50 122.400 119.691 2.709 1
1 478 . 21 1 1 A 51 51 SER H H 51 8.563 8.622 -0.059 1
1 479 . 21 1 1 A 51 51 SER HA H 51 4.042 -0.426 4.468 1
1 481 . 21 1 1 A 51 51 SER CA C 51 60.771 60.661 0.110 1
1 482 . 21 1 1 A 51 51 SER CB C 51 62.818 61.805 1.013 1
1 483 . 21 1 1 A 51 51 SER N N 51 120.571 114.048 6.523 1
1 484 . 21 1 1 A 52 52 LYS H H 52 8.067 8.784 -0.717 1
1 485 . 21 1 1 A 52 52 LYS HA H 52 4.324 -0.124 4.448 1
1 491 . 21 1 1 A 52 52 LYS CA C 52 56.796 55.568 1.228 1
1 492 . 21 1 1 A 52 52 LYS CB C 52 31.870 32.797 -0.927 1
1 496 . 21 1 1 A 52 52 LYS N N 52 117.675 123.467 -5.792 1
1 497 . 21 1 1 A 53 53 LYS H H 53 7.619 7.880 -0.261 1
1 498 . 21 1 1 A 53 53 LYS HA H 53 4.426 -0.736 5.162 1
1 504 . 21 1 1 A 53 53 LYS CA C 53 55.204 59.694 -4.490 1
1 505 . 21 1 1 A 53 53 LYS CB C 53 33.881 32.561 1.320 1
1 509 . 21 1 1 A 53 53 LYS N N 53 122.168 123.300 -1.132 1
1 510 . 21 1 1 A 54 54 ALA H H 54 8.485 7.582 0.903 1
1 511 . 21 1 1 A 54 54 ALA HA H 54 4.410 -0.793 5.203 1
1 515 . 21 1 1 A 54 54 ALA CA C 54 53.135 54.922 -1.787 1
1 516 . 21 1 1 A 54 54 ALA CB C 54 21.208 16.761 4.447 1
1 517 . 21 1 1 A 54 54 ALA N N 54 122.332 119.482 2.850 1
1 518 . 21 1 1 A 55 55 TRP H H 55 8.517 8.167 0.350 1
1 519 . 21 1 1 A 55 55 TRP HA H 55 4.676 -0.022 4.698 1
1 523 . 21 1 1 A 55 55 TRP CA C 55 57.259 57.753 -0.494 1
1 524 . 21 1 1 A 55 55 TRP CB C 55 30.373 30.606 -0.233 1
1 525 . 21 1 1 A 55 55 TRP N N 55 117.762 119.348 -1.586 1
1 527 . 21 1 1 A 56 56 THR H H 56 9.389 9.184 0.205 1
1 528 . 21 1 1 A 56 56 THR HA H 56 5.201 -0.035 5.236 1
1 533 . 21 1 1 A 56 56 THR CA C 56 60.940 61.597 -0.657 1
1 534 . 21 1 1 A 56 56 THR CB C 56 70.961 71.943 -0.982 1
1 536 . 21 1 1 A 56 56 THR N N 56 117.434 115.445 1.989 1
1 537 . 21 1 1 A 57 57 CYS H H 57 8.665 9.044 -0.379 1
1 538 . 21 1 1 A 57 57 CYS HA H 57 4.827 0.286 4.541 1
1 541 . 21 1 1 A 57 57 CYS CA C 57 56.272 55.352 0.920 1
1 542 . 21 1 1 A 57 57 CYS CB C 57 37.251 43.122 -5.871 1
1 543 . 21 1 1 A 57 57 CYS N N 57 126.085 123.818 2.267 1
1 544 . 21 1 1 A 58 58 ILE H H 58 9.150 9.261 -0.111 1
1 545 . 21 1 1 A 58 58 ILE HA H 58 4.297 -0.427 4.724 1
1 555 . 21 1 1 A 58 58 ILE CA C 58 58.322 60.949 -2.627 1
1 556 . 21 1 1 A 58 58 ILE CB C 58 37.652 38.018 -0.366 1
1 560 . 21 1 1 A 58 58 ILE N N 58 134.435 125.112 9.323 1
1 561 . 21 1 1 A 59 59 CYS H H 59 8.204 8.445 -0.241 1
1 562 . 21 1 1 A 59 59 CYS HA H 59 5.698 -0.003 5.701 1
1 565 . 21 1 1 A 59 59 CYS CA C 59 51.508 56.057 -4.549 1
1 566 . 21 1 1 A 59 59 CYS CB C 59 36.523 42.144 -5.621 1
1 567 . 21 1 1 A 59 59 CYS N N 59 121.180 125.752 -4.572 1
1 8 . 22 1 1 A 2 2 ILE H H 2 8.299 9.414 -1.115 1
1 9 . 22 1 1 A 2 2 ILE HA H 2 4.139 4.350 -0.211 1
1 19 . 22 1 1 A 2 2 ILE CA C 2 61.463 62.586 -1.123 1
1 20 . 22 1 1 A 2 2 ILE CB C 2 38.545 36.790 1.755 1
1 24 . 22 1 1 A 2 2 ILE N N 2 121.433 120.710 0.723 1
1 25 . 22 1 1 A 3 3 VAL H H 3 8.245 8.529 -0.284 1
1 26 . 22 1 1 A 3 3 VAL HA H 3 4.138 3.791 0.347 1
1 34 . 22 1 1 A 3 3 VAL CA C 3 61.813 62.602 -0.789 1
1 35 . 22 1 1 A 3 3 VAL CB C 3 32.887 30.279 2.608 1
1 38 . 22 1 1 A 3 3 VAL N N 3 123.973 120.706 3.267 1
1 39 . 22 1 1 A 4 4 ASP H H 4 8.320 8.338 -0.018 1
1 40 . 22 1 1 A 4 4 ASP HA H 4 4.499 5.104 -0.605 1
1 43 . 22 1 1 A 4 4 ASP CA C 4 53.912 52.977 0.935 1
1 44 . 22 1 1 A 4 4 ASP CB C 4 41.523 41.045 0.478 1
1 45 . 22 1 1 A 4 4 ASP N N 4 123.308 120.345 2.963 1
1 46 . 22 1 1 A 5 5 CYS H H 5 7.560 8.571 -1.011 1
1 47 . 22 1 1 A 5 5 CYS HA H 5 5.355 5.142 0.213 1
1 50 . 22 1 1 A 5 5 CYS CA C 5 54.544 54.929 -0.385 1
1 51 . 22 1 1 A 5 5 CYS CB C 5 44.815 43.208 1.607 1
1 52 . 22 1 1 A 5 5 CYS N N 5 121.272 123.616 -2.344 1
1 53 . 22 1 1 A 6 6 TRP H H 6 9.768 9.302 0.466 1
1 54 . 22 1 1 A 6 6 TRP HA H 6 4.727 5.170 -0.443 1
1 58 . 22 1 1 A 6 6 TRP CB C 6 34.880 34.455 0.425 1
1 59 . 22 1 1 A 6 6 TRP N N 6 120.939 123.286 -2.347 1
1 61 . 22 1 1 A 7 7 GLU H H 7 10.518 9.200 1.318 1
1 62 . 22 1 1 A 7 7 GLU HA H 7 4.872 4.471 0.401 1
1 66 . 22 1 1 A 7 7 GLU CA C 7 59.493 58.556 0.937 1
1 67 . 22 1 1 A 7 7 GLU CB C 7 31.264 31.094 0.170 1
1 69 . 22 1 1 A 7 7 GLU N N 7 119.048 120.685 -1.637 1
1 70 . 22 1 1 A 8 8 THR H H 8 7.112 7.763 -0.651 1
1 71 . 22 1 1 A 8 8 THR HA H 8 4.509 4.350 0.159 1
1 76 . 22 1 1 A 8 8 THR CA C 8 57.991 63.904 -5.913 1
1 77 . 22 1 1 A 8 8 THR CB C 8 73.377 69.155 4.222 1
1 79 . 22 1 1 A 8 8 THR N N 8 103.295 113.876 -10.581 1
1 80 . 22 1 1 A 9 9 TRP H H 9 7.902 9.036 -1.134 1
1 81 . 22 1 1 A 9 9 TRP HA H 9 2.806 4.375 -1.569 1
1 85 . 22 1 1 A 9 9 TRP CA C 9 62.403 61.525 0.878 1
1 86 . 22 1 1 A 9 9 TRP CB C 9 26.876 30.023 -3.147 1
1 87 . 22 1 1 A 9 9 TRP N N 9 121.679 127.414 -5.735 1
1 89 . 22 1 1 A 10 10 SER H H 10 8.585 8.249 0.336 1
1 90 . 22 1 1 A 10 10 SER HA H 10 3.354 4.157 -0.803 1
1 93 . 22 1 1 A 10 10 SER CA C 10 61.924 61.397 0.527 1
1 94 . 22 1 1 A 10 10 SER CB C 10 62.121 63.151 -1.030 1
1 95 . 22 1 1 A 10 10 SER N N 10 114.940 114.514 0.426 1
1 96 . 22 1 1 A 11 11 ARG H H 11 7.619 7.721 -0.102 1
1 97 . 22 1 1 A 11 11 ARG HA H 11 3.797 4.147 -0.350 1
1 103 . 22 1 1 A 11 11 ARG CA C 11 58.216 58.998 -0.782 1
1 104 . 22 1 1 A 11 11 ARG CB C 11 30.189 29.099 1.090 1
1 107 . 22 1 1 A 11 11 ARG N N 11 120.414 120.989 -0.575 1
1 108 . 22 1 1 A 12 12 CYS H H 12 6.939 8.188 -1.249 1
1 109 . 22 1 1 A 12 12 CYS HA H 12 2.633 4.519 -1.886 1
1 112 . 22 1 1 A 12 12 CYS CA C 12 58.084 56.968 1.116 1
1 113 . 22 1 1 A 12 12 CYS CB C 12 41.245 41.557 -0.312 1
1 114 . 22 1 1 A 12 12 CYS N N 12 114.990 116.290 -1.300 1
1 115 . 22 1 1 A 13 13 THR H H 13 7.600 7.386 0.214 1
1 116 . 22 1 1 A 13 13 THR HA H 13 3.346 4.677 -1.331 1
1 121 . 22 1 1 A 13 13 THR CA C 13 66.553 60.978 5.575 1
1 122 . 22 1 1 A 13 13 THR CB C 13 68.908 70.180 -1.272 1
1 124 . 22 1 1 A 13 13 THR N N 13 115.078 109.596 5.482 1
1 125 . 22 1 1 A 14 14 LYS H H 14 7.138 7.939 -0.801 1
1 126 . 22 1 1 A 14 14 LYS HA H 14 4.141 4.545 -0.404 1
1 132 . 22 1 1 A 14 14 LYS CA C 14 56.515 55.627 0.888 1
1 133 . 22 1 1 A 14 14 LYS CB C 14 33.392 33.491 -0.099 1
1 137 . 22 1 1 A 14 14 LYS N N 14 119.549 119.673 -0.124 1
1 138 . 22 1 1 A 15 15 TRP H H 15 7.747 8.044 -0.297 1
1 139 . 22 1 1 A 15 15 TRP HA H 15 4.360 5.125 -0.765 1
1 143 . 22 1 1 A 15 15 TRP CA C 15 57.057 55.624 1.433 1
1 144 . 22 1 1 A 15 15 TRP CB C 15 29.949 32.005 -2.056 1
1 145 . 22 1 1 A 15 15 TRP N N 15 122.233 121.075 1.158 1
1 147 . 22 1 1 A 16 16 SER H H 16 7.845 9.432 -1.587 1
1 148 . 22 1 1 A 16 16 SER HA H 16 4.236 4.962 -0.726 1
1 151 . 22 1 1 A 16 16 SER CA C 16 57.866 58.044 -0.178 1
1 152 . 22 1 1 A 16 16 SER CB C 16 64.242 66.971 -2.729 1
1 153 . 22 1 1 A 16 16 SER N N 16 116.282 116.208 0.074 1
1 154 . 22 1 1 A 17 17 GLN H H 17 8.150 8.706 -0.556 1
1 155 . 22 1 1 A 17 17 GLN HA H 17 4.238 4.345 -0.107 1
1 159 . 22 1 1 A 17 17 GLN CA C 17 55.929 55.881 0.048 1
1 160 . 22 1 1 A 17 17 GLN CB C 17 29.663 29.398 0.265 1
1 162 . 22 1 1 A 17 17 GLN N N 17 122.525 124.361 -1.836 1
1 163 . 22 1 1 A 18 18 GLY H H 18 8.313 8.777 -0.464 1
1 164 . 22 1 1 A 18 18 GLY HA2 H 18 3.928 3.944 -0.016 1
1 165 . 22 1 1 A 18 18 GLY N N 18 110.285 111.030 -0.745 1
1 166 . 22 1 1 A 19 19 GLY H H 19 8.241 8.633 -0.392 1
1 167 . 22 1 1 A 19 19 GLY HA2 H 19 3.939 3.925 0.014 1
1 168 . 22 1 1 A 19 19 GLY N N 19 108.776 105.883 2.893 1
1 169 . 22 1 1 A 20 20 THR H H 20 8.166 8.190 -0.024 1
1 170 . 22 1 1 A 20 20 THR HA H 20 4.318 4.059 0.259 1
1 175 . 22 1 1 A 20 20 THR CA C 20 61.985 65.028 -3.043 1
1 176 . 22 1 1 A 20 20 THR CB C 20 69.591 67.579 2.012 1
1 178 . 22 1 1 A 20 20 THR N N 20 113.035 107.840 5.195 1
1 179 . 22 1 1 A 21 21 GLY H H 21 8.423 8.437 -0.014 1
1 180 . 22 1 1 A 21 21 GLY HA2 H 21 3.836 4.193 -0.357 1
1 181 . 22 1 1 A 21 21 GLY HA3 H 21 4.047 4.193 -0.146 1
1 182 . 22 1 1 A 21 21 GLY CA C 21 45.397 45.831 -0.434 1
1 183 . 22 1 1 A 21 21 GLY N N 21 111.299 107.384 3.915 1
1 184 . 22 1 1 A 22 22 THR H H 22 7.915 8.181 -0.266 1
1 185 . 22 1 1 A 22 22 THR HA H 22 4.279 4.517 -0.238 1
1 190 . 22 1 1 A 22 22 THR CA C 22 61.845 62.919 -1.074 1
1 191 . 22 1 1 A 22 22 THR CB C 22 69.755 71.083 -1.328 1
1 193 . 22 1 1 A 22 22 THR N N 22 113.293 118.366 -5.073 1
1 194 . 22 1 1 A 23 23 LEU H H 23 8.132 7.852 0.280 1
1 195 . 22 1 1 A 23 23 LEU HA H 23 4.282 4.434 -0.152 1
1 205 . 22 1 1 A 23 23 LEU CA C 23 55.052 53.241 1.811 1
1 206 . 22 1 1 A 23 23 LEU CB C 23 42.511 40.534 1.977 1
1 210 . 22 1 1 A 23 23 LEU N N 23 124.055 120.884 3.171 1
1 211 . 22 1 1 A 24 24 TRP H H 24 8.011 7.303 0.708 1
1 212 . 22 1 1 A 24 24 TRP HA H 24 4.694 4.429 0.265 1
1 216 . 22 1 1 A 24 24 TRP CA C 24 56.611 60.059 -3.448 1
1 217 . 22 1 1 A 24 24 TRP CB C 24 30.203 28.616 1.587 1
1 218 . 22 1 1 A 24 24 TRP N N 24 122.196 123.365 -1.169 1
1 220 . 22 1 1 A 25 25 LYS H H 25 8.384 7.587 0.797 1
1 221 . 22 1 1 A 25 25 LYS HA H 25 4.415 4.047 0.368 1
1 228 . 22 1 1 A 25 25 LYS CB C 25 34.608 31.049 3.559 1
1 232 . 22 1 1 A 25 25 LYS N N 25 122.979 116.715 6.264 1
1 233 . 22 1 1 A 26 26 SER H H 26 8.703 8.451 0.252 1
1 234 . 22 1 1 A 26 26 SER HA H 26 4.689 4.848 -0.159 1
1 237 . 22 1 1 A 26 26 SER CA C 26 60.110 57.573 2.537 1
1 238 . 22 1 1 A 26 26 SER CB C 26 64.419 67.044 -2.625 1
1 239 . 22 1 1 A 26 26 SER N N 26 117.775 116.370 1.405 1
1 240 . 22 1 1 A 27 27 CYS H H 27 8.216 9.697 -1.481 1
1 241 . 22 1 1 A 27 27 CYS HA H 27 4.382 4.362 0.020 1
1 244 . 22 1 1 A 27 27 CYS CA C 27 58.151 59.973 -1.822 1
1 245 . 22 1 1 A 27 27 CYS CB C 27 36.051 42.021 -5.970 1
1 246 . 22 1 1 A 27 27 CYS N N 27 119.629 121.814 -2.185 1
1 247 . 22 1 1 A 28 28 ASN H H 28 8.640 8.294 0.346 1
1 248 . 22 1 1 A 28 28 ASN HA H 28 4.039 4.489 -0.450 1
1 251 . 22 1 1 A 28 28 ASN CA C 28 57.688 56.704 0.984 1
1 252 . 22 1 1 A 28 28 ASN CB C 28 39.578 39.616 -0.038 1
1 253 . 22 1 1 A 28 28 ASN N N 28 117.431 119.531 -2.100 1
1 254 . 22 1 1 A 29 29 ASP H H 29 7.910 8.335 -0.425 1
1 255 . 22 1 1 A 29 29 ASP HA H 29 4.290 4.343 -0.053 1
1 258 . 22 1 1 A 29 29 ASP CA C 29 57.649 57.515 0.134 1
1 259 . 22 1 1 A 29 29 ASP CB C 29 40.511 42.053 -1.542 1
1 260 . 22 1 1 A 29 29 ASP N N 29 117.680 119.225 -1.545 1
1 261 . 22 1 1 A 30 30 ARG H H 30 8.559 8.214 0.345 1
1 262 . 22 1 1 A 30 30 ARG HA H 30 3.792 4.149 -0.357 1
1 267 . 22 1 1 A 30 30 ARG CA C 30 59.243 59.583 -0.340 1
1 268 . 22 1 1 A 30 30 ARG CB C 30 29.806 29.874 -0.068 1
1 271 . 22 1 1 A 30 30 ARG N N 30 121.907 117.026 4.881 1
1 272 . 22 1 1 A 31 31 CYS H H 31 8.066 8.381 -0.315 1
1 273 . 22 1 1 A 31 31 CYS HA H 31 4.285 4.310 -0.025 1
1 276 . 22 1 1 A 31 31 CYS CA C 31 58.396 61.251 -2.855 1
1 277 . 22 1 1 A 31 31 CYS CB C 31 36.213 41.980 -5.767 1
1 278 . 22 1 1 A 31 31 CYS N N 31 117.122 118.534 -1.412 1
1 279 . 22 1 1 A 32 32 LYS H H 32 8.096 8.296 -0.200 1
1 280 . 22 1 1 A 32 32 LYS HA H 32 4.402 4.029 0.373 1
1 286 . 22 1 1 A 32 32 LYS CA C 32 59.508 59.222 0.286 1
1 287 . 22 1 1 A 32 32 LYS CB C 32 31.698 31.979 -0.281 1
1 289 . 22 1 1 A 32 32 LYS N N 32 121.727 122.185 -0.458 1
1 290 . 22 1 1 A 33 33 GLU H H 33 8.131 7.678 0.453 1
1 291 . 22 1 1 A 33 33 GLU HA H 33 4.090 4.182 -0.092 1
1 295 . 22 1 1 A 33 33 GLU CA C 33 59.018 58.795 0.223 1
1 296 . 22 1 1 A 33 33 GLU CB C 33 29.103 29.308 -0.205 1
1 298 . 22 1 1 A 33 33 GLU N N 33 121.845 119.008 2.837 1
1 299 . 22 1 1 A 34 34 LEU H H 34 7.318 7.398 -0.080 1
1 300 . 22 1 1 A 34 34 LEU HA H 34 4.385 4.366 0.019 1
1 310 . 22 1 1 A 34 34 LEU CA C 34 54.830 55.201 -0.371 1
1 311 . 22 1 1 A 34 34 LEU CB C 34 42.243 42.520 -0.277 1
1 315 . 22 1 1 A 34 34 LEU N N 34 117.966 118.328 -0.362 1
1 316 . 22 1 1 A 35 35 GLY H H 35 7.931 8.251 -0.320 1
1 317 . 22 1 1 A 35 35 GLY HA2 H 35 3.793 3.980 -0.187 1
1 318 . 22 1 1 A 35 35 GLY HA3 H 35 4.251 3.980 0.271 1
1 319 . 22 1 1 A 35 35 GLY CA C 35 39.163 45.669 -6.506 1
1 320 . 22 1 1 A 35 35 GLY N N 35 107.160 106.309 0.851 1
1 321 . 22 1 1 A 36 36 ARG H H 36 7.772 7.487 0.285 1
1 322 . 22 1 1 A 36 36 ARG HA H 36 4.700 4.780 -0.080 1
1 329 . 22 1 1 A 36 36 ARG CA C 36 52.697 54.325 -1.628 1
1 330 . 22 1 1 A 36 36 ARG CB C 36 27.998 33.091 -5.093 1
1 333 . 22 1 1 A 36 36 ARG N N 36 119.227 119.743 -0.516 1
1 334 . 22 1 1 A 37 37 LYS H H 37 9.057 8.724 0.333 1
1 335 . 22 1 1 A 37 37 LYS HA H 37 4.220 4.515 -0.295 1
1 342 . 22 1 1 A 37 37 LYS CA C 37 58.398 57.322 1.076 1
1 343 . 22 1 1 A 37 37 LYS CB C 37 33.797 35.473 -1.676 1
1 346 . 22 1 1 A 37 37 LYS N N 37 119.506 122.685 -3.179 1
1 347 . 22 1 1 A 38 38 ARG H H 38 8.278 8.173 0.105 1
1 348 . 22 1 1 A 38 38 ARG HA H 38 4.721 4.881 -0.160 1
1 354 . 22 1 1 A 38 38 ARG CA C 38 54.582 54.356 0.226 1
1 355 . 22 1 1 A 38 38 ARG CB C 38 32.642 33.302 -0.660 1
1 358 . 22 1 1 A 38 38 ARG N N 38 113.248 118.798 -5.550 1
1 359 . 22 1 1 A 39 39 GLY H H 39 9.055 8.603 0.452 1
1 360 . 22 1 1 A 39 39 GLY HA2 H 39 3.895 4.293 -0.398 1
1 361 . 22 1 1 A 39 39 GLY HA3 H 39 5.551 4.293 1.258 1
1 362 . 22 1 1 A 39 39 GLY CA C 39 46.770 45.193 1.577 1
1 363 . 22 1 1 A 39 39 GLY N N 39 107.276 108.334 -1.058 1
1 364 . 22 1 1 A 40 40 GLN H H 40 9.453 9.073 0.380 1
1 365 . 22 1 1 A 40 40 GLN HA H 40 4.717 4.993 -0.276 1
1 370 . 22 1 1 A 40 40 GLN CA C 40 54.463 53.836 0.627 1
1 371 . 22 1 1 A 40 40 GLN CB C 40 32.364 31.491 0.873 1
1 373 . 22 1 1 A 40 40 GLN N N 40 120.430 121.829 -1.399 1
1 374 . 22 1 1 A 41 41 CYS H H 41 9.208 8.838 0.370 1
1 375 . 22 1 1 A 41 41 CYS HA H 41 5.935 5.085 0.850 1
1 378 . 22 1 1 A 41 41 CYS CA C 41 59.537 54.776 4.761 1
1 379 . 22 1 1 A 41 41 CYS CB C 41 48.386 42.686 5.700 1
1 380 . 22 1 1 A 41 41 CYS N N 41 122.768 119.466 3.302 1
1 381 . 22 1 1 A 42 42 GLU H H 42 9.529 9.640 -0.111 1
1 382 . 22 1 1 A 42 42 GLU HA H 42 5.066 4.881 0.185 1
1 386 . 22 1 1 A 42 42 GLU CA C 42 54.869 55.011 -0.142 1
1 387 . 22 1 1 A 42 42 GLU CB C 42 35.149 32.840 2.309 1
1 389 . 22 1 1 A 42 42 GLU N N 42 122.626 128.126 -5.500 1
1 390 . 22 1 1 A 43 43 GLU H H 43 8.450 8.757 -0.307 1
1 391 . 22 1 1 A 43 43 GLU HA H 43 3.973 4.553 -0.580 1
1 396 . 22 1 1 A 43 43 GLU CA C 43 55.920 55.991 -0.071 1
1 397 . 22 1 1 A 43 43 GLU CB C 43 29.068 28.693 0.375 1
1 399 . 22 1 1 A 43 43 GLU N N 43 122.712 121.730 0.982 1
1 400 . 22 1 1 A 44 44 LYS H H 44 8.051 7.892 0.159 1
1 401 . 22 1 1 A 44 44 LYS HA H 44 4.858 5.003 -0.145 1
1 408 . 22 1 1 A 44 44 LYS CA C 44 51.858 52.911 -1.053 1
1 409 . 22 1 1 A 44 44 LYS CB C 44 33.736 33.157 0.579 1
1 413 . 22 1 1 A 44 44 LYS N N 44 124.525 125.549 -1.024 1
1 414 . 22 1 1 A 45 45 PRO HA H 45 4.371 4.592 -0.221 1
1 421 . 22 1 1 A 45 45 PRO CA C 45 64.556 63.883 0.673 1
1 422 . 22 1 1 A 45 45 PRO CB C 45 31.781 32.688 -0.907 1
1 425 . 22 1 1 A 46 46 SER H H 46 8.132 8.448 -0.316 1
1 426 . 22 1 1 A 46 46 SER HA H 46 4.119 4.233 -0.114 1
1 429 . 22 1 1 A 46 46 SER CA C 46 60.190 61.336 -1.146 1
1 430 . 22 1 1 A 46 46 SER CB C 46 62.093 62.779 -0.686 1
1 431 . 22 1 1 A 46 46 SER N N 46 109.975 113.838 -3.863 1
1 432 . 22 1 1 A 47 47 ARG H H 47 7.381 7.734 -0.353 1
1 433 . 22 1 1 A 47 47 ARG HA H 47 4.448 4.528 -0.080 1
1 438 . 22 1 1 A 47 47 ARG CA C 47 56.257 55.508 0.749 1
1 439 . 22 1 1 A 47 47 ARG CB C 47 32.699 30.139 2.560 1
1 442 . 22 1 1 A 47 47 ARG N N 47 120.043 114.219 5.824 1
1 443 . 22 1 1 A 48 48 CYS H H 48 7.864 7.541 0.323 1
1 444 . 22 1 1 A 48 48 CYS HA H 48 5.145 5.084 0.061 1
1 447 . 22 1 1 A 48 48 CYS CA C 48 52.322 53.393 -1.071 1
1 448 . 22 1 1 A 48 48 CYS CB C 48 41.255 43.887 -2.632 1
1 449 . 22 1 1 A 48 48 CYS N N 48 118.806 118.655 0.151 1
1 450 . 22 1 1 A 49 49 PRO HA H 49 4.475 4.481 -0.006 1
1 457 . 22 1 1 A 49 49 PRO CA C 49 64.149 64.187 -0.038 1
1 458 . 22 1 1 A 49 49 PRO CB C 49 32.684 31.964 0.720 1
1 461 . 22 1 1 A 50 50 LEU H H 50 8.839 8.113 0.726 1
1 462 . 22 1 1 A 50 50 LEU HA H 50 4.436 4.614 -0.178 1
1 472 . 22 1 1 A 50 50 LEU CA C 50 54.154 54.016 0.138 1
1 473 . 22 1 1 A 50 50 LEU CB C 50 41.344 40.191 1.153 1
1 477 . 22 1 1 A 50 50 LEU N N 50 122.400 120.086 2.314 1
1 478 . 22 1 1 A 51 51 SER H H 51 8.563 8.213 0.350 1
1 479 . 22 1 1 A 51 51 SER HA H 51 4.042 4.251 -0.209 1
1 481 . 22 1 1 A 51 51 SER CA C 51 60.771 61.265 -0.494 1
1 482 . 22 1 1 A 51 51 SER CB C 51 62.818 63.255 -0.437 1
1 483 . 22 1 1 A 51 51 SER N N 51 120.571 121.010 -0.439 1
1 484 . 22 1 1 A 52 52 LYS H H 52 8.067 7.931 0.136 1
1 485 . 22 1 1 A 52 52 LYS HA H 52 4.324 4.271 0.053 1
1 491 . 22 1 1 A 52 52 LYS CA C 52 56.796 57.995 -1.199 1
1 492 . 22 1 1 A 52 52 LYS CB C 52 31.870 32.138 -0.268 1
1 496 . 22 1 1 A 52 52 LYS N N 52 117.675 121.078 -3.403 1
1 497 . 22 1 1 A 53 53 LYS H H 53 7.619 7.336 0.283 1
1 498 . 22 1 1 A 53 53 LYS HA H 53 4.426 4.492 -0.066 1
1 504 . 22 1 1 A 53 53 LYS CA C 53 55.204 57.154 -1.950 1
1 505 . 22 1 1 A 53 53 LYS CB C 53 33.881 33.529 0.352 1
1 509 . 22 1 1 A 53 53 LYS N N 53 122.168 118.423 3.745 1
1 510 . 22 1 1 A 54 54 ALA H H 54 8.485 7.657 0.828 1
1 511 . 22 1 1 A 54 54 ALA HA H 54 4.410 4.033 0.377 1
1 515 . 22 1 1 A 54 54 ALA CA C 54 53.135 54.178 -1.043 1
1 516 . 22 1 1 A 54 54 ALA CB C 54 21.208 16.766 4.442 1
1 517 . 22 1 1 A 54 54 ALA N N 54 122.332 119.207 3.125 1
1 518 . 22 1 1 A 55 55 TRP H H 55 8.517 7.719 0.798 1
1 519 . 22 1 1 A 55 55 TRP HA H 55 4.676 4.812 -0.136 1
1 523 . 22 1 1 A 55 55 TRP CA C 55 57.259 57.737 -0.478 1
1 524 . 22 1 1 A 55 55 TRP CB C 55 30.373 29.623 0.750 1
1 525 . 22 1 1 A 55 55 TRP N N 55 117.762 119.724 -1.962 1
1 527 . 22 1 1 A 56 56 THR H H 56 9.389 9.368 0.021 1
1 528 . 22 1 1 A 56 56 THR HA H 56 5.201 4.963 0.238 1
1 533 . 22 1 1 A 56 56 THR CA C 56 60.940 59.881 1.059 1
1 534 . 22 1 1 A 56 56 THR CB C 56 70.961 71.423 -0.462 1
1 536 . 22 1 1 A 56 56 THR N N 56 117.434 116.415 1.019 1
1 537 . 22 1 1 A 57 57 CYS H H 57 8.665 8.133 0.532 1
1 538 . 22 1 1 A 57 57 CYS HA H 57 4.827 4.851 -0.024 1
1 541 . 22 1 1 A 57 57 CYS CA C 57 56.272 56.240 0.032 1
1 542 . 22 1 1 A 57 57 CYS CB C 57 37.251 42.857 -5.606 1
1 543 . 22 1 1 A 57 57 CYS N N 57 126.085 122.636 3.449 1
1 544 . 22 1 1 A 58 58 ILE H H 58 9.150 9.391 -0.241 1
1 545 . 22 1 1 A 58 58 ILE HA H 58 4.297 4.598 -0.301 1
1 555 . 22 1 1 A 58 58 ILE CA C 58 58.322 60.415 -2.093 1
1 556 . 22 1 1 A 58 58 ILE CB C 58 37.652 39.059 -1.407 1
1 560 . 22 1 1 A 58 58 ILE N N 58 134.435 127.323 7.112 1
1 561 . 22 1 1 A 59 59 CYS H H 59 8.204 8.541 -0.337 1
1 562 . 22 1 1 A 59 59 CYS HA H 59 5.698 4.725 0.973 1
1 565 . 22 1 1 A 59 59 CYS CA C 59 51.508 56.821 -5.313 1
1 566 . 22 1 1 A 59 59 CYS CB C 59 36.523 42.167 -5.644 1
1 567 . 22 1 1 A 59 59 CYS N N 59 121.180 126.087 -4.907 1
1 8 . 23 1 1 A 2 2 ILE H H 2 8.299 7.561 0.738 1
1 9 . 23 1 1 A 2 2 ILE HA H 2 4.139 nan 4.139 1
1 19 . 23 1 1 A 2 2 ILE CA C 2 61.463 58.817 2.646 1
1 20 . 23 1 1 A 2 2 ILE CB C 2 38.545 40.364 -1.819 1
1 24 . 23 1 1 A 2 2 ILE N N 2 121.433 115.124 6.309 1
1 25 . 23 1 1 A 3 3 VAL H H 3 8.245 8.585 -0.340 1
1 26 . 23 1 1 A 3 3 VAL HA H 3 4.138 nan 4.138 1
1 34 . 23 1 1 A 3 3 VAL CA C 3 61.813 63.173 -1.360 1
1 35 . 23 1 1 A 3 3 VAL CB C 3 32.887 30.847 2.040 1
1 38 . 23 1 1 A 3 3 VAL N N 3 123.973 120.005 3.968 1
1 39 . 23 1 1 A 4 4 ASP H H 4 8.320 8.524 -0.204 1
1 40 . 23 1 1 A 4 4 ASP HA H 4 4.499 nan 4.499 1
1 43 . 23 1 1 A 4 4 ASP CA C 4 53.912 53.315 0.597 1
1 44 . 23 1 1 A 4 4 ASP CB C 4 41.523 44.138 -2.615 1
1 45 . 23 1 1 A 4 4 ASP N N 4 123.308 122.384 0.924 1
1 46 . 23 1 1 A 5 5 CYS H H 5 7.560 8.166 -0.606 1
1 47 . 23 1 1 A 5 5 CYS HA H 5 5.355 nan 5.355 1
1 50 . 23 1 1 A 5 5 CYS CA C 5 54.544 55.718 -1.174 1
1 51 . 23 1 1 A 5 5 CYS CB C 5 44.815 46.498 -1.683 1
1 52 . 23 1 1 A 5 5 CYS N N 5 121.272 115.736 5.536 1
1 53 . 23 1 1 A 6 6 TRP H H 6 9.768 9.993 -0.225 1
1 54 . 23 1 1 A 6 6 TRP HA H 6 4.727 nan 4.727 1
1 58 . 23 1 1 A 6 6 TRP CB C 6 34.880 30.375 4.505 1
1 59 . 23 1 1 A 6 6 TRP N N 6 120.939 126.203 -5.264 1
1 61 . 23 1 1 A 7 7 GLU H H 7 10.518 8.532 1.986 1
1 62 . 23 1 1 A 7 7 GLU HA H 7 4.872 nan 4.872 1
1 66 . 23 1 1 A 7 7 GLU CA C 7 59.493 57.548 1.945 1
1 67 . 23 1 1 A 7 7 GLU CB C 7 31.264 31.718 -0.454 1
1 69 . 23 1 1 A 7 7 GLU N N 7 119.048 127.777 -8.729 1
1 70 . 23 1 1 A 8 8 THR H H 8 7.112 7.466 -0.354 1
1 71 . 23 1 1 A 8 8 THR HA H 8 4.509 nan 4.509 1
1 76 . 23 1 1 A 8 8 THR CA C 8 57.991 62.115 -4.124 1
1 77 . 23 1 1 A 8 8 THR CB C 8 73.377 69.312 4.065 1
1 79 . 23 1 1 A 8 8 THR N N 8 103.295 110.906 -7.611 1
1 80 . 23 1 1 A 9 9 TRP H H 9 7.902 7.740 0.162 1
1 81 . 23 1 1 A 9 9 TRP HA H 9 2.806 nan 2.806 1
1 85 . 23 1 1 A 9 9 TRP CA C 9 62.403 58.423 3.980 1
1 86 . 23 1 1 A 9 9 TRP CB C 9 26.876 30.934 -4.058 1
1 87 . 23 1 1 A 9 9 TRP N N 9 121.679 122.850 -1.171 1
1 89 . 23 1 1 A 10 10 SER H H 10 8.585 8.787 -0.202 1
1 90 . 23 1 1 A 10 10 SER HA H 10 3.354 nan 3.354 1
1 93 . 23 1 1 A 10 10 SER CA C 10 61.924 61.118 0.806 1
1 94 . 23 1 1 A 10 10 SER CB C 10 62.121 63.023 -0.902 1
1 95 . 23 1 1 A 10 10 SER N N 10 114.940 116.345 -1.405 1
1 96 . 23 1 1 A 11 11 ARG H H 11 7.619 8.248 -0.629 1
1 97 . 23 1 1 A 11 11 ARG HA H 11 3.797 nan 3.797 1
1 103 . 23 1 1 A 11 11 ARG CA C 11 58.216 55.542 2.674 1
1 104 . 23 1 1 A 11 11 ARG CB C 11 30.189 27.914 2.275 1
1 107 . 23 1 1 A 11 11 ARG N N 11 120.414 118.218 2.196 1
1 108 . 23 1 1 A 12 12 CYS H H 12 6.939 8.407 -1.468 1
1 109 . 23 1 1 A 12 12 CYS HA H 12 2.633 nan 2.633 1
1 112 . 23 1 1 A 12 12 CYS CA C 12 58.084 58.040 0.044 1
1 113 . 23 1 1 A 12 12 CYS CB C 12 41.245 44.508 -3.263 1
1 114 . 23 1 1 A 12 12 CYS N N 12 114.990 119.936 -4.946 1
1 115 . 23 1 1 A 13 13 THR H H 13 7.600 8.519 -0.919 1
1 116 . 23 1 1 A 13 13 THR HA H 13 3.346 nan 3.346 1
1 121 . 23 1 1 A 13 13 THR CA C 13 66.553 64.698 1.855 1
1 122 . 23 1 1 A 13 13 THR CB C 13 68.908 68.763 0.145 1
1 124 . 23 1 1 A 13 13 THR N N 13 115.078 113.468 1.610 1
1 125 . 23 1 1 A 14 14 LYS H H 14 7.138 8.007 -0.869 1
1 126 . 23 1 1 A 14 14 LYS HA H 14 4.141 nan 4.141 1
1 132 . 23 1 1 A 14 14 LYS CA C 14 56.515 57.422 -0.907 1
1 133 . 23 1 1 A 14 14 LYS CB C 14 33.392 34.055 -0.663 1
1 137 . 23 1 1 A 14 14 LYS N N 14 119.549 118.994 0.555 1
1 138 . 23 1 1 A 15 15 TRP H H 15 7.747 7.793 -0.046 1
1 139 . 23 1 1 A 15 15 TRP HA H 15 4.360 nan 4.360 1
1 143 . 23 1 1 A 15 15 TRP CA C 15 57.057 57.635 -0.578 1
1 144 . 23 1 1 A 15 15 TRP CB C 15 29.949 30.848 -0.899 1
1 145 . 23 1 1 A 15 15 TRP N N 15 122.233 118.823 3.410 1
1 147 . 23 1 1 A 16 16 SER H H 16 7.845 9.071 -1.226 1
1 148 . 23 1 1 A 16 16 SER HA H 16 4.236 nan 4.236 1
1 151 . 23 1 1 A 16 16 SER CA C 16 57.866 58.576 -0.710 1
1 152 . 23 1 1 A 16 16 SER CB C 16 64.242 63.864 0.378 1
1 153 . 23 1 1 A 16 16 SER N N 16 116.282 114.786 1.496 1
1 154 . 23 1 1 A 17 17 GLN H H 17 8.150 8.253 -0.103 1
1 155 . 23 1 1 A 17 17 GLN HA H 17 4.238 nan 4.238 1
1 159 . 23 1 1 A 17 17 GLN CA C 17 55.929 53.850 2.079 1
1 160 . 23 1 1 A 17 17 GLN CB C 17 29.663 31.091 -1.428 1
1 162 . 23 1 1 A 17 17 GLN N N 17 122.525 121.958 0.567 1
1 163 . 23 1 1 A 18 18 GLY H H 18 8.313 8.531 -0.218 1
1 164 . 23 1 1 A 18 18 GLY HA2 H 18 3.928 4.039 -0.111 1
1 165 . 23 1 1 A 18 18 GLY N N 18 110.285 109.330 0.955 1
1 166 . 23 1 1 A 19 19 GLY H H 19 8.241 8.210 0.031 1
1 167 . 23 1 1 A 19 19 GLY HA2 H 19 3.939 4.086 -0.147 1
1 168 . 23 1 1 A 19 19 GLY N N 19 108.776 114.233 -5.457 1
1 169 . 23 1 1 A 20 20 THR H H 20 8.166 8.438 -0.272 1
1 170 . 23 1 1 A 20 20 THR HA H 20 4.318 nan 4.318 1
1 175 . 23 1 1 A 20 20 THR CA C 20 61.985 65.133 -3.148 1
1 176 . 23 1 1 A 20 20 THR CB C 20 69.591 66.393 3.198 1
1 178 . 23 1 1 A 20 20 THR N N 20 113.035 110.973 2.062 1
1 179 . 23 1 1 A 21 21 GLY H H 21 8.423 8.780 -0.357 1
1 180 . 23 1 1 A 21 21 GLY HA2 H 21 3.836 4.056 -0.220 1
1 181 . 23 1 1 A 21 21 GLY HA3 H 21 4.047 4.056 -0.009 1
1 182 . 23 1 1 A 21 21 GLY CA C 21 45.397 46.565 -1.168 1
1 183 . 23 1 1 A 21 21 GLY N N 21 111.299 108.307 2.992 1
1 184 . 23 1 1 A 22 22 THR H H 22 7.915 8.025 -0.110 1
1 185 . 23 1 1 A 22 22 THR HA H 22 4.279 nan 4.279 1
1 190 . 23 1 1 A 22 22 THR CA C 22 61.845 62.474 -0.629 1
1 191 . 23 1 1 A 22 22 THR CB C 22 69.755 69.129 0.626 1
1 193 . 23 1 1 A 22 22 THR N N 22 113.293 112.906 0.387 1
1 194 . 23 1 1 A 23 23 LEU H H 23 8.132 7.847 0.285 1
1 195 . 23 1 1 A 23 23 LEU HA H 23 4.282 nan 4.282 1
1 205 . 23 1 1 A 23 23 LEU CA C 23 55.052 54.766 0.286 1
1 206 . 23 1 1 A 23 23 LEU CB C 23 42.511 42.435 0.076 1
1 210 . 23 1 1 A 23 23 LEU N N 23 124.055 119.948 4.107 1
1 211 . 23 1 1 A 24 24 TRP H H 24 8.011 8.513 -0.502 1
1 212 . 23 1 1 A 24 24 TRP HA H 24 4.694 nan 4.694 1
1 216 . 23 1 1 A 24 24 TRP CA C 24 56.611 60.086 -3.475 1
1 217 . 23 1 1 A 24 24 TRP CB C 24 30.203 29.141 1.062 1
1 218 . 23 1 1 A 24 24 TRP N N 24 122.196 126.330 -4.134 1
1 220 . 23 1 1 A 25 25 LYS H H 25 8.384 7.288 1.096 1
1 221 . 23 1 1 A 25 25 LYS HA H 25 4.415 nan 4.415 1
1 228 . 23 1 1 A 25 25 LYS CB C 25 34.608 32.080 2.528 1
1 232 . 23 1 1 A 25 25 LYS N N 25 122.979 121.349 1.630 1
1 233 . 23 1 1 A 26 26 SER H H 26 8.703 8.590 0.113 1
1 234 . 23 1 1 A 26 26 SER HA H 26 4.689 nan 4.689 1
1 237 . 23 1 1 A 26 26 SER CA C 26 60.110 60.006 0.104 1
1 238 . 23 1 1 A 26 26 SER CB C 26 64.419 61.836 2.583 1
1 239 . 23 1 1 A 26 26 SER N N 26 117.775 112.901 4.874 1
1 240 . 23 1 1 A 27 27 CYS H H 27 8.216 8.516 -0.300 1
1 241 . 23 1 1 A 27 27 CYS HA H 27 4.382 nan 4.382 1
1 244 . 23 1 1 A 27 27 CYS CA C 27 58.151 60.056 -1.905 1
1 245 . 23 1 1 A 27 27 CYS CB C 27 36.051 41.754 -5.703 1
1 246 . 23 1 1 A 27 27 CYS N N 27 119.629 121.896 -2.267 1
1 247 . 23 1 1 A 28 28 ASN H H 28 8.640 8.423 0.217 1
1 248 . 23 1 1 A 28 28 ASN HA H 28 4.039 nan 4.039 1
1 251 . 23 1 1 A 28 28 ASN CA C 28 57.688 56.482 1.206 1
1 252 . 23 1 1 A 28 28 ASN CB C 28 39.578 38.790 0.788 1
1 253 . 23 1 1 A 28 28 ASN N N 28 117.431 119.878 -2.447 1
1 254 . 23 1 1 A 29 29 ASP H H 29 7.910 8.342 -0.432 1
1 255 . 23 1 1 A 29 29 ASP HA H 29 4.290 nan 4.290 1
1 258 . 23 1 1 A 29 29 ASP CA C 29 57.649 57.587 0.062 1
1 259 . 23 1 1 A 29 29 ASP CB C 29 40.511 41.771 -1.260 1
1 260 . 23 1 1 A 29 29 ASP N N 29 117.680 119.242 -1.562 1
1 261 . 23 1 1 A 30 30 ARG H H 30 8.559 8.353 0.206 1
1 262 . 23 1 1 A 30 30 ARG HA H 30 3.792 nan 3.792 1
1 267 . 23 1 1 A 30 30 ARG CA C 30 59.243 59.434 -0.191 1
1 268 . 23 1 1 A 30 30 ARG CB C 30 29.806 29.724 0.082 1
1 271 . 23 1 1 A 30 30 ARG N N 30 121.907 118.853 3.054 1
1 272 . 23 1 1 A 31 31 CYS H H 31 8.066 8.514 -0.448 1
1 273 . 23 1 1 A 31 31 CYS HA H 31 4.285 nan 4.285 1
1 276 . 23 1 1 A 31 31 CYS CA C 31 58.396 61.296 -2.900 1
1 277 . 23 1 1 A 31 31 CYS CB C 31 36.213 42.034 -5.821 1
1 278 . 23 1 1 A 31 31 CYS N N 31 117.122 117.688 -0.566 1
1 279 . 23 1 1 A 32 32 LYS H H 32 8.096 8.071 0.025 1
1 280 . 23 1 1 A 32 32 LYS HA H 32 4.402 nan 4.402 1
1 286 . 23 1 1 A 32 32 LYS CA C 32 59.508 59.763 -0.255 1
1 287 . 23 1 1 A 32 32 LYS CB C 32 31.698 32.614 -0.916 1
1 289 . 23 1 1 A 32 32 LYS N N 32 121.727 122.002 -0.275 1
1 290 . 23 1 1 A 33 33 GLU H H 33 8.131 8.312 -0.181 1
1 291 . 23 1 1 A 33 33 GLU HA H 33 4.090 nan 4.090 1
1 295 . 23 1 1 A 33 33 GLU CA C 33 59.018 58.302 0.716 1
1 296 . 23 1 1 A 33 33 GLU CB C 33 29.103 29.378 -0.275 1
1 298 . 23 1 1 A 33 33 GLU N N 33 121.845 119.635 2.210 1
1 299 . 23 1 1 A 34 34 LEU H H 34 7.318 7.336 -0.018 1
1 300 . 23 1 1 A 34 34 LEU HA H 34 4.385 nan 4.385 1
1 310 . 23 1 1 A 34 34 LEU CA C 34 54.830 54.728 0.102 1
1 311 . 23 1 1 A 34 34 LEU CB C 34 42.243 42.030 0.213 1
1 315 . 23 1 1 A 34 34 LEU N N 34 117.966 117.777 0.189 1
1 316 . 23 1 1 A 35 35 GLY H H 35 7.931 8.032 -0.101 1
1 317 . 23 1 1 A 35 35 GLY HA2 H 35 3.793 3.987 -0.194 1
1 318 . 23 1 1 A 35 35 GLY HA3 H 35 4.251 3.987 0.264 1
1 319 . 23 1 1 A 35 35 GLY CA C 35 39.163 45.771 -6.608 1
1 320 . 23 1 1 A 35 35 GLY N N 35 107.160 107.487 -0.327 1
1 321 . 23 1 1 A 36 36 ARG H H 36 7.772 7.960 -0.188 1
1 322 . 23 1 1 A 36 36 ARG HA H 36 4.700 nan 4.700 1
1 329 . 23 1 1 A 36 36 ARG CA C 36 52.697 54.825 -2.128 1
1 330 . 23 1 1 A 36 36 ARG CB C 36 27.998 32.114 -4.116 1
1 333 . 23 1 1 A 36 36 ARG N N 36 119.227 119.702 -0.475 1
1 334 . 23 1 1 A 37 37 LYS H H 37 9.057 8.956 0.101 1
1 335 . 23 1 1 A 37 37 LYS HA H 37 4.220 nan 4.220 1
1 342 . 23 1 1 A 37 37 LYS CA C 37 58.398 57.868 0.530 1
1 343 . 23 1 1 A 37 37 LYS CB C 37 33.797 35.049 -1.252 1
1 346 . 23 1 1 A 37 37 LYS N N 37 119.506 121.158 -1.652 1
1 347 . 23 1 1 A 38 38 ARG H H 38 8.278 8.215 0.063 1
1 348 . 23 1 1 A 38 38 ARG HA H 38 4.721 nan 4.721 1
1 354 . 23 1 1 A 38 38 ARG CA C 38 54.582 54.278 0.304 1
1 355 . 23 1 1 A 38 38 ARG CB C 38 32.642 34.077 -1.435 1
1 358 . 23 1 1 A 38 38 ARG N N 38 113.248 115.332 -2.084 1
1 359 . 23 1 1 A 39 39 GLY H H 39 9.055 8.489 0.566 1
1 360 . 23 1 1 A 39 39 GLY HA2 H 39 3.895 4.577 -0.682 1
1 361 . 23 1 1 A 39 39 GLY HA3 H 39 5.551 4.577 0.974 1
1 362 . 23 1 1 A 39 39 GLY CA C 39 46.770 45.188 1.582 1
1 363 . 23 1 1 A 39 39 GLY N N 39 107.276 106.781 0.495 1
1 364 . 23 1 1 A 40 40 GLN H H 40 9.453 8.805 0.648 1
1 365 . 23 1 1 A 40 40 GLN HA H 40 4.717 nan 4.717 1
1 370 . 23 1 1 A 40 40 GLN CA C 40 54.463 53.733 0.730 1
1 371 . 23 1 1 A 40 40 GLN CB C 40 32.364 32.105 0.259 1
1 373 . 23 1 1 A 40 40 GLN N N 40 120.430 116.141 4.289 1
1 374 . 23 1 1 A 41 41 CYS H H 41 9.208 8.688 0.520 1
1 375 . 23 1 1 A 41 41 CYS HA H 41 5.935 nan 5.935 1
1 378 . 23 1 1 A 41 41 CYS CA C 41 59.537 55.170 4.367 1
1 379 . 23 1 1 A 41 41 CYS CB C 41 48.386 41.528 6.858 1
1 380 . 23 1 1 A 41 41 CYS N N 41 122.768 120.364 2.404 1
1 381 . 23 1 1 A 42 42 GLU H H 42 9.529 9.330 0.199 1
1 382 . 23 1 1 A 42 42 GLU HA H 42 5.066 nan 5.066 1
1 386 . 23 1 1 A 42 42 GLU CA C 42 54.869 54.813 0.056 1
1 387 . 23 1 1 A 42 42 GLU CB C 42 35.149 32.065 3.084 1
1 389 . 23 1 1 A 42 42 GLU N N 42 122.626 125.409 -2.783 1
1 390 . 23 1 1 A 43 43 GLU H H 43 8.450 8.507 -0.057 1
1 391 . 23 1 1 A 43 43 GLU HA H 43 3.973 nan 3.973 1
1 396 . 23 1 1 A 43 43 GLU CA C 43 55.920 55.991 -0.071 1
1 397 . 23 1 1 A 43 43 GLU CB C 43 29.068 28.837 0.231 1
1 399 . 23 1 1 A 43 43 GLU N N 43 122.712 123.050 -0.338 1
1 400 . 23 1 1 A 44 44 LYS H H 44 8.051 8.360 -0.309 1
1 401 . 23 1 1 A 44 44 LYS HA H 44 4.858 nan 4.858 1
1 408 . 23 1 1 A 44 44 LYS CA C 44 51.858 53.719 -1.861 1
1 409 . 23 1 1 A 44 44 LYS CB C 44 33.736 33.277 0.459 1
1 413 . 23 1 1 A 44 44 LYS N N 44 124.525 125.843 -1.318 1
1 414 . 23 1 1 A 45 45 PRO HA H 45 4.371 nan 4.371 1
1 421 . 23 1 1 A 45 45 PRO CA C 45 64.556 63.228 1.328 1
1 422 . 23 1 1 A 45 45 PRO CB C 45 31.781 30.343 1.438 1
1 425 . 23 1 1 A 46 46 SER H H 46 8.132 8.588 -0.456 1
1 426 . 23 1 1 A 46 46 SER HA H 46 4.119 nan 4.119 1
1 429 . 23 1 1 A 46 46 SER CA C 46 60.190 61.523 -1.333 1
1 430 . 23 1 1 A 46 46 SER CB C 46 62.093 63.935 -1.842 1
1 431 . 23 1 1 A 46 46 SER N N 46 109.975 117.756 -7.781 1
1 432 . 23 1 1 A 47 47 ARG H H 47 7.381 8.212 -0.831 1
1 433 . 23 1 1 A 47 47 ARG HA H 47 4.448 nan 4.448 1
1 438 . 23 1 1 A 47 47 ARG CA C 47 56.257 57.267 -1.010 1
1 439 . 23 1 1 A 47 47 ARG CB C 47 32.699 29.459 3.240 1
1 442 . 23 1 1 A 47 47 ARG N N 47 120.043 116.468 3.575 1
1 443 . 23 1 1 A 48 48 CYS H H 48 7.864 7.642 0.222 1
1 444 . 23 1 1 A 48 48 CYS HA H 48 5.145 nan 5.145 1
1 447 . 23 1 1 A 48 48 CYS CA C 48 52.322 52.895 -0.573 1
1 448 . 23 1 1 A 48 48 CYS CB C 48 41.255 44.982 -3.727 1
1 449 . 23 1 1 A 48 48 CYS N N 48 118.806 118.289 0.517 1
1 450 . 23 1 1 A 49 49 PRO HA H 49 4.475 nan 4.475 1
1 457 . 23 1 1 A 49 49 PRO CA C 49 64.149 64.180 -0.031 1
1 458 . 23 1 1 A 49 49 PRO CB C 49 32.684 31.750 0.934 1
1 461 . 23 1 1 A 50 50 LEU H H 50 8.839 7.684 1.155 1
1 462 . 23 1 1 A 50 50 LEU HA H 50 4.436 nan 4.436 1
1 472 . 23 1 1 A 50 50 LEU CA C 50 54.154 54.093 0.061 1
1 473 . 23 1 1 A 50 50 LEU CB C 50 41.344 41.007 0.337 1
1 477 . 23 1 1 A 50 50 LEU N N 50 122.400 120.577 1.823 1
1 478 . 23 1 1 A 51 51 SER H H 51 8.563 8.800 -0.237 1
1 479 . 23 1 1 A 51 51 SER HA H 51 4.042 nan 4.042 1
1 481 . 23 1 1 A 51 51 SER CA C 51 60.771 61.202 -0.431 1
1 482 . 23 1 1 A 51 51 SER CB C 51 62.818 63.201 -0.383 1
1 483 . 23 1 1 A 51 51 SER N N 51 120.571 120.885 -0.314 1
1 484 . 23 1 1 A 52 52 LYS H H 52 8.067 7.791 0.276 1
1 485 . 23 1 1 A 52 52 LYS HA H 52 4.324 nan 4.324 1
1 491 . 23 1 1 A 52 52 LYS CA C 52 56.796 58.843 -2.047 1
1 492 . 23 1 1 A 52 52 LYS CB C 52 31.870 31.947 -0.077 1
1 496 . 23 1 1 A 52 52 LYS N N 52 117.675 121.589 -3.914 1
1 497 . 23 1 1 A 53 53 LYS H H 53 7.619 7.533 0.086 1
1 498 . 23 1 1 A 53 53 LYS HA H 53 4.426 nan 4.426 1
1 504 . 23 1 1 A 53 53 LYS CA C 53 55.204 59.049 -3.845 1
1 505 . 23 1 1 A 53 53 LYS CB C 53 33.881 32.601 1.280 1
1 509 . 23 1 1 A 53 53 LYS N N 53 122.168 118.776 3.392 1
1 510 . 23 1 1 A 54 54 ALA H H 54 8.485 7.663 0.822 1
1 511 . 23 1 1 A 54 54 ALA HA H 54 4.410 nan 4.410 1
1 515 . 23 1 1 A 54 54 ALA CA C 54 53.135 55.131 -1.996 1
1 516 . 23 1 1 A 54 54 ALA CB C 54 21.208 17.130 4.078 1
1 517 . 23 1 1 A 54 54 ALA N N 54 122.332 119.425 2.907 1
1 518 . 23 1 1 A 55 55 TRP H H 55 8.517 8.486 0.031 1
1 519 . 23 1 1 A 55 55 TRP HA H 55 4.676 nan 4.676 1
1 523 . 23 1 1 A 55 55 TRP CA C 55 57.259 57.528 -0.269 1
1 524 . 23 1 1 A 55 55 TRP CB C 55 30.373 28.966 1.407 1
1 525 . 23 1 1 A 55 55 TRP N N 55 117.762 118.810 -1.048 1
1 527 . 23 1 1 A 56 56 THR H H 56 9.389 9.594 -0.205 1
1 528 . 23 1 1 A 56 56 THR HA H 56 5.201 nan 5.201 1
1 533 . 23 1 1 A 56 56 THR CA C 56 60.940 59.744 1.196 1
1 534 . 23 1 1 A 56 56 THR CB C 56 70.961 71.047 -0.086 1
1 536 . 23 1 1 A 56 56 THR N N 56 117.434 118.215 -0.781 1
1 537 . 23 1 1 A 57 57 CYS H H 57 8.665 9.748 -1.083 1
1 538 . 23 1 1 A 57 57 CYS HA H 57 4.827 nan 4.827 1
1 541 . 23 1 1 A 57 57 CYS CA C 57 56.272 55.437 0.835 1
1 542 . 23 1 1 A 57 57 CYS CB C 57 37.251 42.006 -4.755 1
1 543 . 23 1 1 A 57 57 CYS N N 57 126.085 123.666 2.419 1
1 544 . 23 1 1 A 58 58 ILE H H 58 9.150 8.697 0.453 1
1 545 . 23 1 1 A 58 58 ILE HA H 58 4.297 nan 4.297 1
1 555 . 23 1 1 A 58 58 ILE CA C 58 58.322 61.462 -3.140 1
1 556 . 23 1 1 A 58 58 ILE CB C 58 37.652 37.834 -0.182 1
1 560 . 23 1 1 A 58 58 ILE N N 58 134.435 125.741 8.694 1
1 561 . 23 1 1 A 59 59 CYS H H 59 8.204 8.752 -0.548 1
1 562 . 23 1 1 A 59 59 CYS HA H 59 5.698 nan 5.698 1
1 565 . 23 1 1 A 59 59 CYS CA C 59 51.508 56.481 -4.973 1
1 566 . 23 1 1 A 59 59 CYS CB C 59 36.523 42.837 -6.314 1
1 567 . 23 1 1 A 59 59 CYS N N 59 121.180 125.825 -4.645 1
1 8 . 24 1 1 A 2 2 ILE H H 2 8.299 8.493 -0.194 1
1 9 . 24 1 1 A 2 2 ILE HA H 2 4.139 nan 4.139 1
1 19 . 24 1 1 A 2 2 ILE CA C 2 61.463 59.553 1.910 1
1 20 . 24 1 1 A 2 2 ILE CB C 2 38.545 38.114 0.431 1
1 24 . 24 1 1 A 2 2 ILE N N 2 121.433 123.336 -1.903 1
1 25 . 24 1 1 A 3 3 VAL H H 3 8.245 8.635 -0.390 1
1 26 . 24 1 1 A 3 3 VAL HA H 3 4.138 nan 4.138 1
1 34 . 24 1 1 A 3 3 VAL CA C 3 61.813 62.857 -1.044 1
1 35 . 24 1 1 A 3 3 VAL CB C 3 32.887 29.995 2.892 1
1 38 . 24 1 1 A 3 3 VAL N N 3 123.973 119.467 4.506 1
1 39 . 24 1 1 A 4 4 ASP H H 4 8.320 7.930 0.390 1
1 40 . 24 1 1 A 4 4 ASP HA H 4 4.499 nan 4.499 1
1 43 . 24 1 1 A 4 4 ASP CA C 4 53.912 53.749 0.163 1
1 44 . 24 1 1 A 4 4 ASP CB C 4 41.523 44.689 -3.166 1
1 45 . 24 1 1 A 4 4 ASP N N 4 123.308 119.920 3.388 1
1 46 . 24 1 1 A 5 5 CYS H H 5 7.560 8.994 -1.434 1
1 47 . 24 1 1 A 5 5 CYS HA H 5 5.355 nan 5.355 1
1 50 . 24 1 1 A 5 5 CYS CA C 5 54.544 54.093 0.451 1
1 51 . 24 1 1 A 5 5 CYS CB C 5 44.815 46.911 -2.096 1
1 52 . 24 1 1 A 5 5 CYS N N 5 121.272 118.547 2.725 1
1 53 . 24 1 1 A 6 6 TRP H H 6 9.768 9.005 0.763 1
1 54 . 24 1 1 A 6 6 TRP HA H 6 4.727 nan 4.727 1
1 58 . 24 1 1 A 6 6 TRP CB C 6 34.880 31.986 2.894 1
1 59 . 24 1 1 A 6 6 TRP N N 6 120.939 120.789 0.150 1
1 61 . 24 1 1 A 7 7 GLU H H 7 10.518 9.605 0.913 1
1 62 . 24 1 1 A 7 7 GLU HA H 7 4.872 nan 4.872 1
1 66 . 24 1 1 A 7 7 GLU CA C 7 59.493 56.658 2.835 1
1 67 . 24 1 1 A 7 7 GLU CB C 7 31.264 30.244 1.020 1
1 69 . 24 1 1 A 7 7 GLU N N 7 119.048 121.243 -2.195 1
1 70 . 24 1 1 A 8 8 THR H H 8 7.112 8.133 -1.021 1
1 71 . 24 1 1 A 8 8 THR HA H 8 4.509 nan 4.509 1
1 76 . 24 1 1 A 8 8 THR CA C 8 57.991 59.740 -1.749 1
1 77 . 24 1 1 A 8 8 THR CB C 8 73.377 70.550 2.827 1
1 79 . 24 1 1 A 8 8 THR N N 8 103.295 114.627 -11.332 1
1 80 . 24 1 1 A 9 9 TRP H H 9 7.902 9.223 -1.321 1
1 81 . 24 1 1 A 9 9 TRP HA H 9 2.806 nan 2.806 1
1 85 . 24 1 1 A 9 9 TRP CA C 9 62.403 58.217 4.186 1
1 86 . 24 1 1 A 9 9 TRP CB C 9 26.876 28.123 -1.247 1
1 87 . 24 1 1 A 9 9 TRP N N 9 121.679 127.866 -6.187 1
1 89 . 24 1 1 A 10 10 SER H H 10 8.585 8.310 0.275 1
1 90 . 24 1 1 A 10 10 SER HA H 10 3.354 nan 3.354 1
1 93 . 24 1 1 A 10 10 SER CA C 10 61.924 60.632 1.292 1
1 94 . 24 1 1 A 10 10 SER CB C 10 62.121 60.856 1.265 1
1 95 . 24 1 1 A 10 10 SER N N 10 114.940 108.821 6.119 1
1 96 . 24 1 1 A 11 11 ARG H H 11 7.619 8.394 -0.775 1
1 97 . 24 1 1 A 11 11 ARG HA H 11 3.797 nan 3.797 1
1 103 . 24 1 1 A 11 11 ARG CA C 11 58.216 58.691 -0.475 1
1 104 . 24 1 1 A 11 11 ARG CB C 11 30.189 29.702 0.487 1
1 107 . 24 1 1 A 11 11 ARG N N 11 120.414 118.867 1.547 1
1 108 . 24 1 1 A 12 12 CYS H H 12 6.939 7.803 -0.864 1
1 109 . 24 1 1 A 12 12 CYS HA H 12 2.633 nan 2.633 1
1 112 . 24 1 1 A 12 12 CYS CA C 12 58.084 56.956 1.128 1
1 113 . 24 1 1 A 12 12 CYS CB C 12 41.245 43.036 -1.791 1
1 114 . 24 1 1 A 12 12 CYS N N 12 114.990 117.604 -2.614 1
1 115 . 24 1 1 A 13 13 THR H H 13 7.600 7.549 0.051 1
1 116 . 24 1 1 A 13 13 THR HA H 13 3.346 nan 3.346 1
1 121 . 24 1 1 A 13 13 THR CA C 13 66.553 64.429 2.124 1
1 122 . 24 1 1 A 13 13 THR CB C 13 68.908 69.615 -0.707 1
1 124 . 24 1 1 A 13 13 THR N N 13 115.078 114.371 0.707 1
1 125 . 24 1 1 A 14 14 LYS H H 14 7.138 7.929 -0.791 1
1 126 . 24 1 1 A 14 14 LYS HA H 14 4.141 nan 4.141 1
1 132 . 24 1 1 A 14 14 LYS CA C 14 56.515 57.359 -0.844 1
1 133 . 24 1 1 A 14 14 LYS CB C 14 33.392 33.734 -0.342 1
1 137 . 24 1 1 A 14 14 LYS N N 14 119.549 118.183 1.366 1
1 138 . 24 1 1 A 15 15 TRP H H 15 7.747 7.747 0.000 1
1 139 . 24 1 1 A 15 15 TRP HA H 15 4.360 nan 4.360 1
1 143 . 24 1 1 A 15 15 TRP CA C 15 57.057 57.479 -0.422 1
1 144 . 24 1 1 A 15 15 TRP CB C 15 29.949 29.860 0.089 1
1 145 . 24 1 1 A 15 15 TRP N N 15 122.233 118.897 3.336 1
1 147 . 24 1 1 A 16 16 SER H H 16 7.845 8.706 -0.861 1
1 148 . 24 1 1 A 16 16 SER HA H 16 4.236 nan 4.236 1
1 151 . 24 1 1 A 16 16 SER CA C 16 57.866 57.746 0.120 1
1 152 . 24 1 1 A 16 16 SER CB C 16 64.242 65.450 -1.208 1
1 153 . 24 1 1 A 16 16 SER N N 16 116.282 114.601 1.681 1
1 154 . 24 1 1 A 17 17 GLN H H 17 8.150 9.993 -1.843 1
1 155 . 24 1 1 A 17 17 GLN HA H 17 4.238 nan 4.238 1
1 159 . 24 1 1 A 17 17 GLN CA C 17 55.929 56.972 -1.043 1
1 160 . 24 1 1 A 17 17 GLN CB C 17 29.663 27.756 1.907 1
1 162 . 24 1 1 A 17 17 GLN N N 17 122.525 120.649 1.876 1
1 163 . 24 1 1 A 18 18 GLY H H 18 8.313 8.624 -0.311 1
1 164 . 24 1 1 A 18 18 GLY HA2 H 18 3.928 3.968 -0.040 1
1 165 . 24 1 1 A 18 18 GLY N N 18 110.285 110.068 0.217 1
1 166 . 24 1 1 A 19 19 GLY H H 19 8.241 8.801 -0.560 1
1 167 . 24 1 1 A 19 19 GLY HA2 H 19 3.939 4.011 -0.072 1
1 168 . 24 1 1 A 19 19 GLY N N 19 108.776 111.691 -2.915 1
1 169 . 24 1 1 A 20 20 THR H H 20 8.166 8.727 -0.561 1
1 170 . 24 1 1 A 20 20 THR HA H 20 4.318 nan 4.318 1
1 175 . 24 1 1 A 20 20 THR CA C 20 61.985 62.198 -0.213 1
1 176 . 24 1 1 A 20 20 THR CB C 20 69.591 67.079 2.512 1
1 178 . 24 1 1 A 20 20 THR N N 20 113.035 107.977 5.058 1
1 179 . 24 1 1 A 21 21 GLY H H 21 8.423 8.025 0.398 1
1 180 . 24 1 1 A 21 21 GLY HA2 H 21 3.836 4.162 -0.326 1
1 181 . 24 1 1 A 21 21 GLY HA3 H 21 4.047 4.162 -0.115 1
1 182 . 24 1 1 A 21 21 GLY CA C 21 45.397 44.823 0.574 1
1 183 . 24 1 1 A 21 21 GLY N N 21 111.299 112.174 -0.875 1
1 184 . 24 1 1 A 22 22 THR H H 22 7.915 7.656 0.259 1
1 185 . 24 1 1 A 22 22 THR HA H 22 4.279 nan 4.279 1
1 190 . 24 1 1 A 22 22 THR CA C 22 61.845 61.772 0.073 1
1 191 . 24 1 1 A 22 22 THR CB C 22 69.755 70.487 -0.732 1
1 193 . 24 1 1 A 22 22 THR N N 22 113.293 116.767 -3.474 1
1 194 . 24 1 1 A 23 23 LEU H H 23 8.132 7.890 0.242 1
1 195 . 24 1 1 A 23 23 LEU HA H 23 4.282 nan 4.282 1
1 205 . 24 1 1 A 23 23 LEU CA C 23 55.052 53.467 1.585 1
1 206 . 24 1 1 A 23 23 LEU CB C 23 42.511 42.553 -0.042 1
1 210 . 24 1 1 A 23 23 LEU N N 23 124.055 122.827 1.228 1
1 211 . 24 1 1 A 24 24 TRP H H 24 8.011 8.007 0.004 1
1 212 . 24 1 1 A 24 24 TRP HA H 24 4.694 nan 4.694 1
1 216 . 24 1 1 A 24 24 TRP CA C 24 56.611 57.255 -0.644 1
1 217 . 24 1 1 A 24 24 TRP CB C 24 30.203 30.024 0.179 1
1 218 . 24 1 1 A 24 24 TRP N N 24 122.196 123.473 -1.277 1
1 220 . 24 1 1 A 25 25 LYS H H 25 8.384 7.456 0.928 1
1 221 . 24 1 1 A 25 25 LYS HA H 25 4.415 nan 4.415 1
1 228 . 24 1 1 A 25 25 LYS CB C 25 34.608 30.819 3.789 1
1 232 . 24 1 1 A 25 25 LYS N N 25 122.979 122.277 0.702 1
1 233 . 24 1 1 A 26 26 SER H H 26 8.703 8.336 0.367 1
1 234 . 24 1 1 A 26 26 SER HA H 26 4.689 nan 4.689 1
1 237 . 24 1 1 A 26 26 SER CA C 26 60.110 59.221 0.889 1
1 238 . 24 1 1 A 26 26 SER CB C 26 64.419 61.587 2.832 1
1 239 . 24 1 1 A 26 26 SER N N 26 117.775 109.544 8.231 1
1 240 . 24 1 1 A 27 27 CYS H H 27 8.216 8.536 -0.320 1
1 241 . 24 1 1 A 27 27 CYS HA H 27 4.382 nan 4.382 1
1 244 . 24 1 1 A 27 27 CYS CA C 27 58.151 59.472 -1.321 1
1 245 . 24 1 1 A 27 27 CYS CB C 27 36.051 42.005 -5.954 1
1 246 . 24 1 1 A 27 27 CYS N N 27 119.629 123.364 -3.735 1
1 247 . 24 1 1 A 28 28 ASN H H 28 8.640 7.935 0.705 1
1 248 . 24 1 1 A 28 28 ASN HA H 28 4.039 nan 4.039 1
1 251 . 24 1 1 A 28 28 ASN CA C 28 57.688 56.602 1.086 1
1 252 . 24 1 1 A 28 28 ASN CB C 28 39.578 39.421 0.157 1
1 253 . 24 1 1 A 28 28 ASN N N 28 117.431 119.205 -1.774 1
1 254 . 24 1 1 A 29 29 ASP H H 29 7.910 8.311 -0.401 1
1 255 . 24 1 1 A 29 29 ASP HA H 29 4.290 nan 4.290 1
1 258 . 24 1 1 A 29 29 ASP CA C 29 57.649 57.179 0.470 1
1 259 . 24 1 1 A 29 29 ASP CB C 29 40.511 41.255 -0.744 1
1 260 . 24 1 1 A 29 29 ASP N N 29 117.680 119.405 -1.725 1
1 261 . 24 1 1 A 30 30 ARG H H 30 8.559 7.832 0.727 1
1 262 . 24 1 1 A 30 30 ARG HA H 30 3.792 nan 3.792 1
1 267 . 24 1 1 A 30 30 ARG CA C 30 59.243 59.618 -0.375 1
1 268 . 24 1 1 A 30 30 ARG CB C 30 29.806 29.652 0.154 1
1 271 . 24 1 1 A 30 30 ARG N N 30 121.907 117.914 3.993 1
1 272 . 24 1 1 A 31 31 CYS H H 31 8.066 7.844 0.222 1
1 273 . 24 1 1 A 31 31 CYS HA H 31 4.285 nan 4.285 1
1 276 . 24 1 1 A 31 31 CYS CA C 31 58.396 61.386 -2.990 1
1 277 . 24 1 1 A 31 31 CYS CB C 31 36.213 41.998 -5.785 1
1 278 . 24 1 1 A 31 31 CYS N N 31 117.122 118.952 -1.830 1
1 279 . 24 1 1 A 32 32 LYS H H 32 8.096 7.723 0.373 1
1 280 . 24 1 1 A 32 32 LYS HA H 32 4.402 nan 4.402 1
1 286 . 24 1 1 A 32 32 LYS CA C 32 59.508 60.037 -0.529 1
1 287 . 24 1 1 A 32 32 LYS CB C 32 31.698 32.039 -0.341 1
1 289 . 24 1 1 A 32 32 LYS N N 32 121.727 119.441 2.286 1
1 290 . 24 1 1 A 33 33 GLU H H 33 8.131 7.997 0.134 1
1 291 . 24 1 1 A 33 33 GLU HA H 33 4.090 nan 4.090 1
1 295 . 24 1 1 A 33 33 GLU CA C 33 59.018 58.748 0.270 1
1 296 . 24 1 1 A 33 33 GLU CB C 33 29.103 29.728 -0.625 1
1 298 . 24 1 1 A 33 33 GLU N N 33 121.845 119.443 2.402 1
1 299 . 24 1 1 A 34 34 LEU H H 34 7.318 7.354 -0.036 1
1 300 . 24 1 1 A 34 34 LEU HA H 34 4.385 nan 4.385 1
1 310 . 24 1 1 A 34 34 LEU CA C 34 54.830 55.102 -0.272 1
1 311 . 24 1 1 A 34 34 LEU CB C 34 42.243 42.516 -0.273 1
1 315 . 24 1 1 A 34 34 LEU N N 34 117.966 118.280 -0.314 1
1 316 . 24 1 1 A 35 35 GLY H H 35 7.931 8.005 -0.074 1
1 317 . 24 1 1 A 35 35 GLY HA2 H 35 3.793 4.097 -0.304 1
1 318 . 24 1 1 A 35 35 GLY HA3 H 35 4.251 4.097 0.154 1
1 319 . 24 1 1 A 35 35 GLY CA C 35 39.163 45.461 -6.298 1
1 320 . 24 1 1 A 35 35 GLY N N 35 107.160 105.427 1.733 1
1 321 . 24 1 1 A 36 36 ARG H H 36 7.772 7.308 0.464 1
1 322 . 24 1 1 A 36 36 ARG HA H 36 4.700 nan 4.700 1
1 329 . 24 1 1 A 36 36 ARG CA C 36 52.697 54.203 -1.506 1
1 330 . 24 1 1 A 36 36 ARG CB C 36 27.998 32.624 -4.626 1
1 333 . 24 1 1 A 36 36 ARG N N 36 119.227 119.535 -0.308 1
1 334 . 24 1 1 A 37 37 LYS H H 37 9.057 8.751 0.306 1
1 335 . 24 1 1 A 37 37 LYS HA H 37 4.220 nan 4.220 1
1 342 . 24 1 1 A 37 37 LYS CA C 37 58.398 56.868 1.530 1
1 343 . 24 1 1 A 37 37 LYS CB C 37 33.797 34.213 -0.416 1
1 346 . 24 1 1 A 37 37 LYS N N 37 119.506 119.478 0.028 1
1 347 . 24 1 1 A 38 38 ARG H H 38 8.278 7.855 0.423 1
1 348 . 24 1 1 A 38 38 ARG HA H 38 4.721 nan 4.721 1
1 354 . 24 1 1 A 38 38 ARG CA C 38 54.582 54.308 0.274 1
1 355 . 24 1 1 A 38 38 ARG CB C 38 32.642 33.737 -1.095 1
1 358 . 24 1 1 A 38 38 ARG N N 38 113.248 115.701 -2.453 1
1 359 . 24 1 1 A 39 39 GLY H H 39 9.055 8.578 0.477 1
1 360 . 24 1 1 A 39 39 GLY HA2 H 39 3.895 4.362 -0.467 1
1 361 . 24 1 1 A 39 39 GLY HA3 H 39 5.551 4.362 1.189 1
1 362 . 24 1 1 A 39 39 GLY CA C 39 46.770 44.985 1.785 1
1 363 . 24 1 1 A 39 39 GLY N N 39 107.276 106.413 0.863 1
1 364 . 24 1 1 A 40 40 GLN H H 40 9.453 8.480 0.973 1
1 365 . 24 1 1 A 40 40 GLN HA H 40 4.717 nan 4.717 1
1 370 . 24 1 1 A 40 40 GLN CA C 40 54.463 56.303 -1.840 1
1 371 . 24 1 1 A 40 40 GLN CB C 40 32.364 28.718 3.646 1
1 373 . 24 1 1 A 40 40 GLN N N 40 120.430 123.577 -3.147 1
1 374 . 24 1 1 A 41 41 CYS H H 41 9.208 8.622 0.586 1
1 375 . 24 1 1 A 41 41 CYS HA H 41 5.935 nan 5.935 1
1 378 . 24 1 1 A 41 41 CYS CA C 41 59.537 55.249 4.288 1
1 379 . 24 1 1 A 41 41 CYS CB C 41 48.386 42.550 5.836 1
1 380 . 24 1 1 A 41 41 CYS N N 41 122.768 122.319 0.449 1
1 381 . 24 1 1 A 42 42 GLU H H 42 9.529 9.397 0.132 1
1 382 . 24 1 1 A 42 42 GLU HA H 42 5.066 nan 5.066 1
1 386 . 24 1 1 A 42 42 GLU CA C 42 54.869 54.523 0.346 1
1 387 . 24 1 1 A 42 42 GLU CB C 42 35.149 33.306 1.843 1
1 389 . 24 1 1 A 42 42 GLU N N 42 122.626 125.940 -3.314 1
1 390 . 24 1 1 A 43 43 GLU H H 43 8.450 8.347 0.103 1
1 391 . 24 1 1 A 43 43 GLU HA H 43 3.973 nan 3.973 1
1 396 . 24 1 1 A 43 43 GLU CA C 43 55.920 56.087 -0.167 1
1 397 . 24 1 1 A 43 43 GLU CB C 43 29.068 28.537 0.531 1
1 399 . 24 1 1 A 43 43 GLU N N 43 122.712 123.407 -0.695 1
1 400 . 24 1 1 A 44 44 LYS H H 44 8.051 7.990 0.061 1
1 401 . 24 1 1 A 44 44 LYS HA H 44 4.858 nan 4.858 1
1 408 . 24 1 1 A 44 44 LYS CA C 44 51.858 53.247 -1.389 1
1 409 . 24 1 1 A 44 44 LYS CB C 44 33.736 33.275 0.461 1
1 413 . 24 1 1 A 44 44 LYS N N 44 124.525 125.523 -0.998 1
1 414 . 24 1 1 A 45 45 PRO HA H 45 4.371 nan 4.371 1
1 421 . 24 1 1 A 45 45 PRO CA C 45 64.556 63.848 0.708 1
1 422 . 24 1 1 A 45 45 PRO CB C 45 31.781 32.389 -0.608 1
1 425 . 24 1 1 A 46 46 SER H H 46 8.132 8.241 -0.109 1
1 426 . 24 1 1 A 46 46 SER HA H 46 4.119 nan 4.119 1
1 429 . 24 1 1 A 46 46 SER CA C 46 60.190 58.604 1.586 1
1 430 . 24 1 1 A 46 46 SER CB C 46 62.093 62.841 -0.748 1
1 431 . 24 1 1 A 46 46 SER N N 46 109.975 113.244 -3.269 1
1 432 . 24 1 1 A 47 47 ARG H H 47 7.381 7.929 -0.548 1
1 433 . 24 1 1 A 47 47 ARG HA H 47 4.448 nan 4.448 1
1 438 . 24 1 1 A 47 47 ARG CA C 47 56.257 57.258 -1.001 1
1 439 . 24 1 1 A 47 47 ARG CB C 47 32.699 31.512 1.187 1
1 442 . 24 1 1 A 47 47 ARG N N 47 120.043 118.534 1.509 1
1 443 . 24 1 1 A 48 48 CYS H H 48 7.864 8.213 -0.349 1
1 444 . 24 1 1 A 48 48 CYS HA H 48 5.145 nan 5.145 1
1 447 . 24 1 1 A 48 48 CYS CA C 48 52.322 54.226 -1.904 1
1 448 . 24 1 1 A 48 48 CYS CB C 48 41.255 44.150 -2.895 1
1 449 . 24 1 1 A 48 48 CYS N N 48 118.806 116.053 2.753 1
1 450 . 24 1 1 A 49 49 PRO HA H 49 4.475 nan 4.475 1
1 457 . 24 1 1 A 49 49 PRO CA C 49 64.149 63.686 0.463 1
1 458 . 24 1 1 A 49 49 PRO CB C 49 32.684 31.838 0.846 1
1 461 . 24 1 1 A 50 50 LEU H H 50 8.839 7.918 0.921 1
1 462 . 24 1 1 A 50 50 LEU HA H 50 4.436 nan 4.436 1
1 472 . 24 1 1 A 50 50 LEU CA C 50 54.154 53.866 0.288 1
1 473 . 24 1 1 A 50 50 LEU CB C 50 41.344 40.229 1.115 1
1 477 . 24 1 1 A 50 50 LEU N N 50 122.400 122.041 0.359 1
1 478 . 24 1 1 A 51 51 SER H H 51 8.563 8.141 0.422 1
1 479 . 24 1 1 A 51 51 SER HA H 51 4.042 nan 4.042 1
1 481 . 24 1 1 A 51 51 SER CA C 51 60.771 61.619 -0.848 1
1 482 . 24 1 1 A 51 51 SER CB C 51 62.818 63.091 -0.273 1
1 483 . 24 1 1 A 51 51 SER N N 51 120.571 119.801 0.770 1
1 484 . 24 1 1 A 52 52 LYS H H 52 8.067 7.964 0.103 1
1 485 . 24 1 1 A 52 52 LYS HA H 52 4.324 nan 4.324 1
1 491 . 24 1 1 A 52 52 LYS CA C 52 56.796 58.934 -2.138 1
1 492 . 24 1 1 A 52 52 LYS CB C 52 31.870 32.007 -0.137 1
1 496 . 24 1 1 A 52 52 LYS N N 52 117.675 121.886 -4.211 1
1 497 . 24 1 1 A 53 53 LYS H H 53 7.619 7.705 -0.086 1
1 498 . 24 1 1 A 53 53 LYS HA H 53 4.426 nan 4.426 1
1 504 . 24 1 1 A 53 53 LYS CA C 53 55.204 58.108 -2.904 1
1 505 . 24 1 1 A 53 53 LYS CB C 53 33.881 33.376 0.505 1
1 509 . 24 1 1 A 53 53 LYS N N 53 122.168 116.100 6.068 1
1 510 . 24 1 1 A 54 54 ALA H H 54 8.485 7.669 0.816 1
1 511 . 24 1 1 A 54 54 ALA HA H 54 4.410 nan 4.410 1
1 515 . 24 1 1 A 54 54 ALA CA C 54 53.135 53.862 -0.727 1
1 516 . 24 1 1 A 54 54 ALA CB C 54 21.208 18.015 3.193 1
1 517 . 24 1 1 A 54 54 ALA N N 54 122.332 119.616 2.716 1
1 518 . 24 1 1 A 55 55 TRP H H 55 8.517 7.674 0.843 1
1 519 . 24 1 1 A 55 55 TRP HA H 55 4.676 nan 4.676 1
1 523 . 24 1 1 A 55 55 TRP CA C 55 57.259 56.611 0.648 1
1 524 . 24 1 1 A 55 55 TRP CB C 55 30.373 29.929 0.444 1
1 525 . 24 1 1 A 55 55 TRP N N 55 117.762 119.800 -2.038 1
1 527 . 24 1 1 A 56 56 THR H H 56 9.389 9.713 -0.324 1
1 528 . 24 1 1 A 56 56 THR HA H 56 5.201 nan 5.201 1
1 533 . 24 1 1 A 56 56 THR CA C 56 60.940 60.978 -0.038 1
1 534 . 24 1 1 A 56 56 THR CB C 56 70.961 71.183 -0.222 1
1 536 . 24 1 1 A 56 56 THR N N 56 117.434 117.795 -0.361 1
1 537 . 24 1 1 A 57 57 CYS H H 57 8.665 8.740 -0.075 1
1 538 . 24 1 1 A 57 57 CYS HA H 57 4.827 nan 4.827 1
1 541 . 24 1 1 A 57 57 CYS CA C 57 56.272 55.101 1.171 1
1 542 . 24 1 1 A 57 57 CYS CB C 57 37.251 42.282 -5.031 1
1 543 . 24 1 1 A 57 57 CYS N N 57 126.085 123.442 2.643 1
1 544 . 24 1 1 A 58 58 ILE H H 58 9.150 9.589 -0.439 1
1 545 . 24 1 1 A 58 58 ILE HA H 58 4.297 nan 4.297 1
1 555 . 24 1 1 A 58 58 ILE CA C 58 58.322 61.026 -2.704 1
1 556 . 24 1 1 A 58 58 ILE CB C 58 37.652 37.394 0.258 1
1 560 . 24 1 1 A 58 58 ILE N N 58 134.435 125.889 8.546 1
1 561 . 24 1 1 A 59 59 CYS H H 59 8.204 8.416 -0.212 1
1 562 . 24 1 1 A 59 59 CYS HA H 59 5.698 nan 5.698 1
1 565 . 24 1 1 A 59 59 CYS CA C 59 51.508 56.333 -4.825 1
1 566 . 24 1 1 A 59 59 CYS CB C 59 36.523 42.206 -5.683 1
1 567 . 24 1 1 A 59 59 CYS N N 59 121.180 127.184 -6.004 1
1 8 . 25 1 1 A 2 2 ILE H H 2 8.299 7.433 0.866 1
1 9 . 25 1 1 A 2 2 ILE HA H 2 4.139 nan 4.139 1
1 19 . 25 1 1 A 2 2 ILE CA C 2 61.463 63.678 -2.215 1
1 20 . 25 1 1 A 2 2 ILE CB C 2 38.545 38.271 0.274 1
1 24 . 25 1 1 A 2 2 ILE N N 2 121.433 119.277 2.156 1
1 25 . 25 1 1 A 3 3 VAL H H 3 8.245 7.971 0.274 1
1 26 . 25 1 1 A 3 3 VAL HA H 3 4.138 nan 4.138 1
1 34 . 25 1 1 A 3 3 VAL CA C 3 61.813 62.511 -0.698 1
1 35 . 25 1 1 A 3 3 VAL CB C 3 32.887 30.787 2.100 1
1 38 . 25 1 1 A 3 3 VAL N N 3 123.973 119.214 4.759 1
1 39 . 25 1 1 A 4 4 ASP H H 4 8.320 8.414 -0.094 1
1 40 . 25 1 1 A 4 4 ASP HA H 4 4.499 nan 4.499 1
1 43 . 25 1 1 A 4 4 ASP CA C 4 53.912 52.672 1.240 1
1 44 . 25 1 1 A 4 4 ASP CB C 4 41.523 40.883 0.640 1
1 45 . 25 1 1 A 4 4 ASP N N 4 123.308 124.317 -1.009 1
1 46 . 25 1 1 A 5 5 CYS H H 5 7.560 8.665 -1.105 1
1 47 . 25 1 1 A 5 5 CYS HA H 5 5.355 nan 5.355 1
1 50 . 25 1 1 A 5 5 CYS CA C 5 54.544 56.095 -1.551 1
1 51 . 25 1 1 A 5 5 CYS CB C 5 44.815 46.083 -1.268 1
1 52 . 25 1 1 A 5 5 CYS N N 5 121.272 115.755 5.517 1
1 53 . 25 1 1 A 6 6 TRP H H 6 9.768 9.513 0.255 1
1 54 . 25 1 1 A 6 6 TRP HA H 6 4.727 nan 4.727 1
1 58 . 25 1 1 A 6 6 TRP CB C 6 34.880 30.686 4.194 1
1 59 . 25 1 1 A 6 6 TRP N N 6 120.939 128.465 -7.526 1
1 61 . 25 1 1 A 7 7 GLU H H 7 10.518 8.503 2.015 1
1 62 . 25 1 1 A 7 7 GLU HA H 7 4.872 nan 4.872 1
1 66 . 25 1 1 A 7 7 GLU CA C 7 59.493 57.441 2.052 1
1 67 . 25 1 1 A 7 7 GLU CB C 7 31.264 31.780 -0.516 1
1 69 . 25 1 1 A 7 7 GLU N N 7 119.048 124.213 -5.165 1
1 70 . 25 1 1 A 8 8 THR H H 8 7.112 7.624 -0.512 1
1 71 . 25 1 1 A 8 8 THR HA H 8 4.509 nan 4.509 1
1 76 . 25 1 1 A 8 8 THR CA C 8 57.991 61.942 -3.951 1
1 77 . 25 1 1 A 8 8 THR CB C 8 73.377 69.670 3.707 1
1 79 . 25 1 1 A 8 8 THR N N 8 103.295 110.427 -7.132 1
1 80 . 25 1 1 A 9 9 TRP H H 9 7.902 8.002 -0.100 1
1 81 . 25 1 1 A 9 9 TRP HA H 9 2.806 nan 2.806 1
1 85 . 25 1 1 A 9 9 TRP CA C 9 62.403 58.554 3.849 1
1 86 . 25 1 1 A 9 9 TRP CB C 9 26.876 30.368 -3.492 1
1 87 . 25 1 1 A 9 9 TRP N N 9 121.679 123.731 -2.052 1
1 89 . 25 1 1 A 10 10 SER H H 10 8.585 9.019 -0.434 1
1 90 . 25 1 1 A 10 10 SER HA H 10 3.354 nan 3.354 1
1 93 . 25 1 1 A 10 10 SER CA C 10 61.924 61.799 0.125 1
1 94 . 25 1 1 A 10 10 SER CB C 10 62.121 63.389 -1.268 1
1 95 . 25 1 1 A 10 10 SER N N 10 114.940 116.523 -1.583 1
1 96 . 25 1 1 A 11 11 ARG H H 11 7.619 8.269 -0.650 1
1 97 . 25 1 1 A 11 11 ARG HA H 11 3.797 nan 3.797 1
1 103 . 25 1 1 A 11 11 ARG CA C 11 58.216 55.847 2.369 1
1 104 . 25 1 1 A 11 11 ARG CB C 11 30.189 28.819 1.370 1
1 107 . 25 1 1 A 11 11 ARG N N 11 120.414 118.703 1.711 1
1 108 . 25 1 1 A 12 12 CYS H H 12 6.939 8.420 -1.481 1
1 109 . 25 1 1 A 12 12 CYS HA H 12 2.633 nan 2.633 1
1 112 . 25 1 1 A 12 12 CYS CA C 12 58.084 57.136 0.948 1
1 113 . 25 1 1 A 12 12 CYS CB C 12 41.245 44.816 -3.571 1
1 114 . 25 1 1 A 12 12 CYS N N 12 114.990 117.110 -2.120 1
1 115 . 25 1 1 A 13 13 THR H H 13 7.600 8.162 -0.562 1
1 116 . 25 1 1 A 13 13 THR HA H 13 3.346 nan 3.346 1
1 121 . 25 1 1 A 13 13 THR CA C 13 66.553 64.023 2.530 1
1 122 . 25 1 1 A 13 13 THR CB C 13 68.908 69.327 -0.419 1
1 124 . 25 1 1 A 13 13 THR N N 13 115.078 112.435 2.643 1
1 125 . 25 1 1 A 14 14 LYS H H 14 7.138 7.813 -0.675 1
1 126 . 25 1 1 A 14 14 LYS HA H 14 4.141 nan 4.141 1
1 132 . 25 1 1 A 14 14 LYS CA C 14 56.515 55.620 0.895 1
1 133 . 25 1 1 A 14 14 LYS CB C 14 33.392 33.270 0.122 1
1 137 . 25 1 1 A 14 14 LYS N N 14 119.549 119.269 0.280 1
1 138 . 25 1 1 A 15 15 TRP H H 15 7.747 7.647 0.100 1
1 139 . 25 1 1 A 15 15 TRP HA H 15 4.360 nan 4.360 1
1 143 . 25 1 1 A 15 15 TRP CA C 15 57.057 57.331 -0.274 1
1 144 . 25 1 1 A 15 15 TRP CB C 15 29.949 32.849 -2.900 1
1 145 . 25 1 1 A 15 15 TRP N N 15 122.233 122.278 -0.045 1
1 147 . 25 1 1 A 16 16 SER H H 16 7.845 7.862 -0.017 1
1 148 . 25 1 1 A 16 16 SER HA H 16 4.236 nan 4.236 1
1 151 . 25 1 1 A 16 16 SER CA C 16 57.866 57.837 0.029 1
1 152 . 25 1 1 A 16 16 SER CB C 16 64.242 65.560 -1.318 1
1 153 . 25 1 1 A 16 16 SER N N 16 116.282 117.632 -1.350 1
1 154 . 25 1 1 A 17 17 GLN H H 17 8.150 8.949 -0.799 1
1 155 . 25 1 1 A 17 17 GLN HA H 17 4.238 nan 4.238 1
1 159 . 25 1 1 A 17 17 GLN CA C 17 55.929 55.931 -0.002 1
1 160 . 25 1 1 A 17 17 GLN CB C 17 29.663 28.139 1.524 1
1 162 . 25 1 1 A 17 17 GLN N N 17 122.525 125.677 -3.152 1
1 163 . 25 1 1 A 18 18 GLY H H 18 8.313 8.759 -0.446 1
1 164 . 25 1 1 A 18 18 GLY HA2 H 18 3.928 3.915 0.013 1
1 165 . 25 1 1 A 18 18 GLY N N 18 110.285 111.900 -1.615 1
1 166 . 25 1 1 A 19 19 GLY H H 19 8.241 7.814 0.427 1
1 167 . 25 1 1 A 19 19 GLY HA2 H 19 3.939 4.054 -0.115 1
1 168 . 25 1 1 A 19 19 GLY N N 19 108.776 108.468 0.308 1
1 169 . 25 1 1 A 20 20 THR H H 20 8.166 7.551 0.615 1
1 170 . 25 1 1 A 20 20 THR HA H 20 4.318 nan 4.318 1
1 175 . 25 1 1 A 20 20 THR CA C 20 61.985 62.688 -0.703 1
1 176 . 25 1 1 A 20 20 THR CB C 20 69.591 65.956 3.635 1
1 178 . 25 1 1 A 20 20 THR N N 20 113.035 110.408 2.627 1
1 179 . 25 1 1 A 21 21 GLY H H 21 8.423 8.277 0.146 1
1 180 . 25 1 1 A 21 21 GLY HA2 H 21 3.836 4.002 -0.166 1
1 181 . 25 1 1 A 21 21 GLY HA3 H 21 4.047 4.002 0.045 1
1 182 . 25 1 1 A 21 21 GLY CA C 21 45.397 45.754 -0.357 1
1 183 . 25 1 1 A 21 21 GLY N N 21 111.299 107.072 4.227 1
1 184 . 25 1 1 A 22 22 THR H H 22 7.915 7.887 0.028 1
1 185 . 25 1 1 A 22 22 THR HA H 22 4.279 nan 4.279 1
1 190 . 25 1 1 A 22 22 THR CA C 22 61.845 63.222 -1.377 1
1 191 . 25 1 1 A 22 22 THR CB C 22 69.755 66.879 2.876 1
1 193 . 25 1 1 A 22 22 THR N N 22 113.293 108.031 5.262 1
1 194 . 25 1 1 A 23 23 LEU H H 23 8.132 7.774 0.358 1
1 195 . 25 1 1 A 23 23 LEU HA H 23 4.282 nan 4.282 1
1 205 . 25 1 1 A 23 23 LEU CA C 23 55.052 54.036 1.016 1
1 206 . 25 1 1 A 23 23 LEU CB C 23 42.511 43.165 -0.654 1
1 210 . 25 1 1 A 23 23 LEU N N 23 124.055 119.954 4.101 1
1 211 . 25 1 1 A 24 24 TRP H H 24 8.011 7.748 0.263 1
1 212 . 25 1 1 A 24 24 TRP HA H 24 4.694 nan 4.694 1
1 216 . 25 1 1 A 24 24 TRP CA C 24 56.611 59.851 -3.240 1
1 217 . 25 1 1 A 24 24 TRP CB C 24 30.203 28.144 2.059 1
1 218 . 25 1 1 A 24 24 TRP N N 24 122.196 117.536 4.660 1
1 220 . 25 1 1 A 25 25 LYS H H 25 8.384 8.810 -0.426 1
1 221 . 25 1 1 A 25 25 LYS HA H 25 4.415 nan 4.415 1
1 228 . 25 1 1 A 25 25 LYS CB C 25 34.608 31.421 3.187 1
1 232 . 25 1 1 A 25 25 LYS N N 25 122.979 120.681 2.298 1
1 233 . 25 1 1 A 26 26 SER H H 26 8.703 8.333 0.370 1
1 234 . 25 1 1 A 26 26 SER HA H 26 4.689 nan 4.689 1
1 237 . 25 1 1 A 26 26 SER CA C 26 60.110 59.022 1.088 1
1 238 . 25 1 1 A 26 26 SER CB C 26 64.419 63.825 0.594 1
1 239 . 25 1 1 A 26 26 SER N N 26 117.775 118.700 -0.925 1
1 240 . 25 1 1 A 27 27 CYS H H 27 8.216 9.528 -1.312 1
1 241 . 25 1 1 A 27 27 CYS HA H 27 4.382 nan 4.382 1
1 244 . 25 1 1 A 27 27 CYS CA C 27 58.151 59.420 -1.269 1
1 245 . 25 1 1 A 27 27 CYS CB C 27 36.051 41.674 -5.623 1
1 246 . 25 1 1 A 27 27 CYS N N 27 119.629 122.424 -2.795 1
1 247 . 25 1 1 A 28 28 ASN H H 28 8.640 8.525 0.115 1
1 248 . 25 1 1 A 28 28 ASN HA H 28 4.039 nan 4.039 1
1 251 . 25 1 1 A 28 28 ASN CA C 28 57.688 56.451 1.237 1
1 252 . 25 1 1 A 28 28 ASN CB C 28 39.578 39.307 0.271 1
1 253 . 25 1 1 A 28 28 ASN N N 28 117.431 119.955 -2.524 1
1 254 . 25 1 1 A 29 29 ASP H H 29 7.910 8.469 -0.559 1
1 255 . 25 1 1 A 29 29 ASP HA H 29 4.290 nan 4.290 1
1 258 . 25 1 1 A 29 29 ASP CA C 29 57.649 57.458 0.191 1
1 259 . 25 1 1 A 29 29 ASP CB C 29 40.511 41.328 -0.817 1
1 260 . 25 1 1 A 29 29 ASP N N 29 117.680 119.446 -1.766 1
1 261 . 25 1 1 A 30 30 ARG H H 30 8.559 8.153 0.406 1
1 262 . 25 1 1 A 30 30 ARG HA H 30 3.792 nan 3.792 1
1 267 . 25 1 1 A 30 30 ARG CA C 30 59.243 58.729 0.514 1
1 268 . 25 1 1 A 30 30 ARG CB C 30 29.806 29.773 0.033 1
1 271 . 25 1 1 A 30 30 ARG N N 30 121.907 117.952 3.955 1
1 272 . 25 1 1 A 31 31 CYS H H 31 8.066 7.864 0.202 1
1 273 . 25 1 1 A 31 31 CYS HA H 31 4.285 nan 4.285 1
1 276 . 25 1 1 A 31 31 CYS CA C 31 58.396 59.596 -1.200 1
1 277 . 25 1 1 A 31 31 CYS CB C 31 36.213 42.511 -6.298 1
1 278 . 25 1 1 A 31 31 CYS N N 31 117.122 117.849 -0.727 1
1 279 . 25 1 1 A 32 32 LYS H H 32 8.096 8.091 0.005 1
1 280 . 25 1 1 A 32 32 LYS HA H 32 4.402 nan 4.402 1
1 286 . 25 1 1 A 32 32 LYS CA C 32 59.508 59.275 0.233 1
1 287 . 25 1 1 A 32 32 LYS CB C 32 31.698 31.968 -0.270 1
1 289 . 25 1 1 A 32 32 LYS N N 32 121.727 120.178 1.549 1
1 290 . 25 1 1 A 33 33 GLU H H 33 8.131 7.687 0.444 1
1 291 . 25 1 1 A 33 33 GLU HA H 33 4.090 nan 4.090 1
1 295 . 25 1 1 A 33 33 GLU CA C 33 59.018 58.961 0.057 1
1 296 . 25 1 1 A 33 33 GLU CB C 33 29.103 29.244 -0.141 1
1 298 . 25 1 1 A 33 33 GLU N N 33 121.845 119.097 2.748 1
1 299 . 25 1 1 A 34 34 LEU H H 34 7.318 7.508 -0.190 1
1 300 . 25 1 1 A 34 34 LEU HA H 34 4.385 nan 4.385 1
1 310 . 25 1 1 A 34 34 LEU CA C 34 54.830 54.689 0.141 1
1 311 . 25 1 1 A 34 34 LEU CB C 34 42.243 42.148 0.095 1
1 315 . 25 1 1 A 34 34 LEU N N 34 117.966 118.248 -0.282 1
1 316 . 25 1 1 A 35 35 GLY H H 35 7.931 8.032 -0.101 1
1 317 . 25 1 1 A 35 35 GLY HA2 H 35 3.793 4.023 -0.230 1
1 318 . 25 1 1 A 35 35 GLY HA3 H 35 4.251 4.023 0.228 1
1 319 . 25 1 1 A 35 35 GLY CA C 35 39.163 45.771 -6.608 1
1 320 . 25 1 1 A 35 35 GLY N N 35 107.160 107.945 -0.785 1
1 321 . 25 1 1 A 36 36 ARG H H 36 7.772 7.240 0.532 1
1 322 . 25 1 1 A 36 36 ARG HA H 36 4.700 nan 4.700 1
1 329 . 25 1 1 A 36 36 ARG CA C 36 52.697 55.300 -2.603 1
1 330 . 25 1 1 A 36 36 ARG CB C 36 27.998 31.794 -3.796 1
1 333 . 25 1 1 A 36 36 ARG N N 36 119.227 119.972 -0.745 1
1 334 . 25 1 1 A 37 37 LYS H H 37 9.057 8.745 0.312 1
1 335 . 25 1 1 A 37 37 LYS HA H 37 4.220 nan 4.220 1
1 342 . 25 1 1 A 37 37 LYS CA C 37 58.398 56.424 1.974 1
1 343 . 25 1 1 A 37 37 LYS CB C 37 33.797 34.872 -1.075 1
1 346 . 25 1 1 A 37 37 LYS N N 37 119.506 120.308 -0.802 1
1 347 . 25 1 1 A 38 38 ARG H H 38 8.278 7.748 0.530 1
1 348 . 25 1 1 A 38 38 ARG HA H 38 4.721 nan 4.721 1
1 354 . 25 1 1 A 38 38 ARG CA C 38 54.582 54.334 0.248 1
1 355 . 25 1 1 A 38 38 ARG CB C 38 32.642 33.778 -1.136 1
1 358 . 25 1 1 A 38 38 ARG N N 38 113.248 117.594 -4.346 1
1 359 . 25 1 1 A 39 39 GLY H H 39 9.055 8.598 0.457 1
1 360 . 25 1 1 A 39 39 GLY HA2 H 39 3.895 4.289 -0.394 1
1 361 . 25 1 1 A 39 39 GLY HA3 H 39 5.551 4.289 1.262 1
1 362 . 25 1 1 A 39 39 GLY CA C 39 46.770 45.885 0.885 1
1 363 . 25 1 1 A 39 39 GLY N N 39 107.276 108.556 -1.280 1
1 364 . 25 1 1 A 40 40 GLN H H 40 9.453 9.019 0.434 1
1 365 . 25 1 1 A 40 40 GLN HA H 40 4.717 nan 4.717 1
1 370 . 25 1 1 A 40 40 GLN CA C 40 54.463 53.856 0.607 1
1 371 . 25 1 1 A 40 40 GLN CB C 40 32.364 32.253 0.111 1
1 373 . 25 1 1 A 40 40 GLN N N 40 120.430 119.502 0.928 1
1 374 . 25 1 1 A 41 41 CYS H H 41 9.208 8.747 0.461 1
1 375 . 25 1 1 A 41 41 CYS HA H 41 5.935 nan 5.935 1
1 378 . 25 1 1 A 41 41 CYS CA C 41 59.537 55.729 3.808 1
1 379 . 25 1 1 A 41 41 CYS CB C 41 48.386 42.429 5.957 1
1 380 . 25 1 1 A 41 41 CYS N N 41 122.768 120.728 2.040 1
1 381 . 25 1 1 A 42 42 GLU H H 42 9.529 9.412 0.117 1
1 382 . 25 1 1 A 42 42 GLU HA H 42 5.066 nan 5.066 1
1 386 . 25 1 1 A 42 42 GLU CA C 42 54.869 54.568 0.301 1
1 387 . 25 1 1 A 42 42 GLU CB C 42 35.149 32.301 2.848 1
1 389 . 25 1 1 A 42 42 GLU N N 42 122.626 125.522 -2.896 1
1 390 . 25 1 1 A 43 43 GLU H H 43 8.450 8.339 0.111 1
1 391 . 25 1 1 A 43 43 GLU HA H 43 3.973 nan 3.973 1
1 396 . 25 1 1 A 43 43 GLU CA C 43 55.920 58.550 -2.630 1
1 397 . 25 1 1 A 43 43 GLU CB C 43 29.068 28.971 0.097 1
1 399 . 25 1 1 A 43 43 GLU N N 43 122.712 122.571 0.141 1
1 400 . 25 1 1 A 44 44 LYS H H 44 8.051 7.683 0.368 1
1 401 . 25 1 1 A 44 44 LYS HA H 44 4.858 nan 4.858 1
1 408 . 25 1 1 A 44 44 LYS CA C 44 51.858 56.447 -4.589 1
1 409 . 25 1 1 A 44 44 LYS CB C 44 33.736 30.977 2.759 1
1 413 . 25 1 1 A 44 44 LYS N N 44 124.525 118.032 6.493 1
1 414 . 25 1 1 A 45 45 PRO HA H 45 4.371 nan 4.371 1
1 421 . 25 1 1 A 45 45 PRO CA C 45 64.556 62.661 1.895 1
1 422 . 25 1 1 A 45 45 PRO CB C 45 31.781 32.607 -0.826 1
1 425 . 25 1 1 A 46 46 SER H H 46 8.132 8.700 -0.568 1
1 426 . 25 1 1 A 46 46 SER HA H 46 4.119 nan 4.119 1
1 429 . 25 1 1 A 46 46 SER CA C 46 60.190 59.337 0.853 1
1 430 . 25 1 1 A 46 46 SER CB C 46 62.093 61.795 0.298 1
1 431 . 25 1 1 A 46 46 SER N N 46 109.975 111.772 -1.797 1
1 432 . 25 1 1 A 47 47 ARG H H 47 7.381 8.152 -0.771 1
1 433 . 25 1 1 A 47 47 ARG HA H 47 4.448 nan 4.448 1
1 438 . 25 1 1 A 47 47 ARG CA C 47 56.257 56.676 -0.419 1
1 439 . 25 1 1 A 47 47 ARG CB C 47 32.699 33.235 -0.536 1
1 442 . 25 1 1 A 47 47 ARG N N 47 120.043 116.630 3.413 1
1 443 . 25 1 1 A 48 48 CYS H H 48 7.864 7.860 0.004 1
1 444 . 25 1 1 A 48 48 CYS HA H 48 5.145 nan 5.145 1
1 447 . 25 1 1 A 48 48 CYS CA C 48 52.322 53.023 -0.701 1
1 448 . 25 1 1 A 48 48 CYS CB C 48 41.255 44.366 -3.111 1
1 449 . 25 1 1 A 48 48 CYS N N 48 118.806 116.687 2.119 1
1 450 . 25 1 1 A 49 49 PRO HA H 49 4.475 nan 4.475 1
1 457 . 25 1 1 A 49 49 PRO CA C 49 64.149 64.877 -0.728 1
1 458 . 25 1 1 A 49 49 PRO CB C 49 32.684 31.924 0.760 1
1 461 . 25 1 1 A 50 50 LEU H H 50 8.839 7.892 0.947 1
1 462 . 25 1 1 A 50 50 LEU HA H 50 4.436 nan 4.436 1
1 472 . 25 1 1 A 50 50 LEU CA C 50 54.154 54.405 -0.251 1
1 473 . 25 1 1 A 50 50 LEU CB C 50 41.344 40.830 0.514 1
1 477 . 25 1 1 A 50 50 LEU N N 50 122.400 119.274 3.126 1
1 478 . 25 1 1 A 51 51 SER H H 51 8.563 8.467 0.096 1
1 479 . 25 1 1 A 51 51 SER HA H 51 4.042 nan 4.042 1
1 481 . 25 1 1 A 51 51 SER CA C 51 60.771 61.854 -1.083 1
1 482 . 25 1 1 A 51 51 SER CB C 51 62.818 63.106 -0.288 1
1 483 . 25 1 1 A 51 51 SER N N 51 120.571 121.103 -0.532 1
1 484 . 25 1 1 A 52 52 LYS H H 52 8.067 7.947 0.120 1
1 485 . 25 1 1 A 52 52 LYS HA H 52 4.324 nan 4.324 1
1 491 . 25 1 1 A 52 52 LYS CA C 52 56.796 58.495 -1.699 1
1 492 . 25 1 1 A 52 52 LYS CB C 52 31.870 32.489 -0.619 1
1 496 . 25 1 1 A 52 52 LYS N N 52 117.675 121.706 -4.031 1
1 497 . 25 1 1 A 53 53 LYS H H 53 7.619 7.763 -0.144 1
1 498 . 25 1 1 A 53 53 LYS HA H 53 4.426 nan 4.426 1
1 504 . 25 1 1 A 53 53 LYS CA C 53 55.204 58.264 -3.060 1
1 505 . 25 1 1 A 53 53 LYS CB C 53 33.881 33.524 0.357 1
1 509 . 25 1 1 A 53 53 LYS N N 53 122.168 117.614 4.554 1
1 510 . 25 1 1 A 54 54 ALA H H 54 8.485 8.247 0.238 1
1 511 . 25 1 1 A 54 54 ALA HA H 54 4.410 nan 4.410 1
1 515 . 25 1 1 A 54 54 ALA CA C 54 53.135 53.233 -0.098 1
1 516 . 25 1 1 A 54 54 ALA CB C 54 21.208 17.464 3.744 1
1 517 . 25 1 1 A 54 54 ALA N N 54 122.332 120.173 2.159 1
1 518 . 25 1 1 A 55 55 TRP H H 55 8.517 8.173 0.344 1
1 519 . 25 1 1 A 55 55 TRP HA H 55 4.676 nan 4.676 1
1 523 . 25 1 1 A 55 55 TRP CA C 55 57.259 56.873 0.386 1
1 524 . 25 1 1 A 55 55 TRP CB C 55 30.373 33.918 -3.545 1
1 525 . 25 1 1 A 55 55 TRP N N 55 117.762 118.212 -0.450 1
1 527 . 25 1 1 A 56 56 THR H H 56 9.389 9.364 0.025 1
1 528 . 25 1 1 A 56 56 THR HA H 56 5.201 nan 5.201 1
1 533 . 25 1 1 A 56 56 THR CA C 56 60.940 61.417 -0.477 1
1 534 . 25 1 1 A 56 56 THR CB C 56 70.961 72.056 -1.095 1
1 536 . 25 1 1 A 56 56 THR N N 56 117.434 116.841 0.593 1
1 537 . 25 1 1 A 57 57 CYS H H 57 8.665 9.549 -0.884 1
1 538 . 25 1 1 A 57 57 CYS HA H 57 4.827 nan 4.827 1
1 541 . 25 1 1 A 57 57 CYS CA C 57 56.272 56.134 0.138 1
1 542 . 25 1 1 A 57 57 CYS CB C 57 37.251 42.413 -5.162 1
1 543 . 25 1 1 A 57 57 CYS N N 57 126.085 123.573 2.512 1
1 544 . 25 1 1 A 58 58 ILE H H 58 9.150 9.474 -0.324 1
1 545 . 25 1 1 A 58 58 ILE HA H 58 4.297 nan 4.297 1
1 555 . 25 1 1 A 58 58 ILE CA C 58 58.322 60.435 -2.113 1
1 556 . 25 1 1 A 58 58 ILE CB C 58 37.652 38.169 -0.517 1
1 560 . 25 1 1 A 58 58 ILE N N 58 134.435 126.031 8.404 1
1 561 . 25 1 1 A 59 59 CYS H H 59 8.204 8.670 -0.466 1
1 562 . 25 1 1 A 59 59 CYS HA H 59 5.698 nan 5.698 1
1 565 . 25 1 1 A 59 59 CYS CA C 59 51.508 55.783 -4.275 1
1 566 . 25 1 1 A 59 59 CYS CB C 59 36.523 42.564 -6.041 1
1 567 . 25 1 1 A 59 59 CYS N N 59 121.180 126.043 -4.863 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 54 1.910 1
3 1 1 1 "RMS(OBS, PRED)" CB 53 2.595 1
4 1 1 1 "RMS(OBS, PRED)" H 56 0.581 1
5 1 1 1 "RMS(OBS, PRED)" HA 61 0.519 1
6 1 1 1 "RMS(OBS, PRED)" N 56 3.545 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 54 1.978 1
9 1 2 1 "RMS(OBS, PRED)" CB 53 2.443 1
10 1 2 1 "RMS(OBS, PRED)" H 56 0.675 1
11 1 2 1 "RMS(OBS, PRED)" HA 61 0.472 1
12 1 2 1 "RMS(OBS, PRED)" N 56 3.697 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 54 1.985 1
15 1 3 1 "RMS(OBS, PRED)" CB 53 2.675 1
16 1 3 1 "RMS(OBS, PRED)" H 56 0.687 1
17 1 3 1 "RMS(OBS, PRED)" HA 61 0.492 1
18 1 3 1 "RMS(OBS, PRED)" N 56 3.465 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 54 2.197 1
21 1 4 1 "RMS(OBS, PRED)" CB 53 2.659 1
22 1 4 1 "RMS(OBS, PRED)" H 56 0.611 1
23 1 4 1 "RMS(OBS, PRED)" HA 61 nan 1
24 1 4 1 "RMS(OBS, PRED)" N 56 3.371 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 54 1.872 1
27 1 5 1 "RMS(OBS, PRED)" CB 53 2.706 1
28 1 5 1 "RMS(OBS, PRED)" H 56 0.669 1
29 1 5 1 "RMS(OBS, PRED)" HA 61 0.681 1
30 1 5 1 "RMS(OBS, PRED)" N 56 3.924 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 54 2.093 1
33 1 6 1 "RMS(OBS, PRED)" CB 53 2.464 1
34 1 6 1 "RMS(OBS, PRED)" H 56 0.574 1
35 1 6 1 "RMS(OBS, PRED)" HA 61 0.536 1
36 1 6 1 "RMS(OBS, PRED)" N 56 3.802 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 54 2.055 1
39 1 7 1 "RMS(OBS, PRED)" CB 53 2.463 1
40 1 7 1 "RMS(OBS, PRED)" H 56 0.639 1
41 1 7 1 "RMS(OBS, PRED)" HA 61 0.512 1
42 1 7 1 "RMS(OBS, PRED)" N 56 3.452 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 54 2.115 1
45 1 8 1 "RMS(OBS, PRED)" CB 53 2.435 1
46 1 8 1 "RMS(OBS, PRED)" H 56 0.528 1
47 1 8 1 "RMS(OBS, PRED)" HA 61 0.566 1
48 1 8 1 "RMS(OBS, PRED)" N 56 3.308 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 54 1.972 1
51 1 9 1 "RMS(OBS, PRED)" CB 53 2.526 1
52 1 9 1 "RMS(OBS, PRED)" H 56 0.532 1
53 1 9 1 "RMS(OBS, PRED)" HA 61 0.492 1
54 1 9 1 "RMS(OBS, PRED)" N 56 3.330 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 54 1.756 1
57 1 10 1 "RMS(OBS, PRED)" CB 53 2.543 1
58 1 10 1 "RMS(OBS, PRED)" H 56 0.637 1
59 1 10 1 "RMS(OBS, PRED)" HA 61 0.502 1
60 1 10 1 "RMS(OBS, PRED)" N 56 3.001 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 54 1.998 1
63 1 11 1 "RMS(OBS, PRED)" CB 53 2.467 1
64 1 11 1 "RMS(OBS, PRED)" H 56 0.630 1
65 1 11 1 "RMS(OBS, PRED)" HA 61 0.497 1
66 1 11 1 "RMS(OBS, PRED)" N 56 3.496 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 54 1.922 1
69 1 12 1 "RMS(OBS, PRED)" CB 53 2.507 1
70 1 12 1 "RMS(OBS, PRED)" H 56 0.663 1
71 1 12 1 "RMS(OBS, PRED)" HA 61 0.531 1
72 1 12 1 "RMS(OBS, PRED)" N 56 3.458 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 54 2.092 1
75 1 13 1 "RMS(OBS, PRED)" CB 53 2.783 1
76 1 13 1 "RMS(OBS, PRED)" H 56 0.628 1
77 1 13 1 "RMS(OBS, PRED)" HA 61 0.603 1
78 1 13 1 "RMS(OBS, PRED)" N 56 3.680 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 54 2.114 1
81 1 14 1 "RMS(OBS, PRED)" CB 53 2.730 1
82 1 14 1 "RMS(OBS, PRED)" H 56 0.613 1
83 1 14 1 "RMS(OBS, PRED)" HA 61 0.528 1
84 1 14 1 "RMS(OBS, PRED)" N 56 3.553 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 54 2.047 1
87 1 15 1 "RMS(OBS, PRED)" CB 53 2.462 1
88 1 15 1 "RMS(OBS, PRED)" H 56 0.719 1
89 1 15 1 "RMS(OBS, PRED)" HA 61 0.480 1
90 1 15 1 "RMS(OBS, PRED)" N 56 3.394 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 54 2.292 1
93 1 16 1 "RMS(OBS, PRED)" CB 53 2.567 1
94 1 16 1 "RMS(OBS, PRED)" H 56 0.670 1
95 1 16 1 "RMS(OBS, PRED)" HA 61 nan 1
96 1 16 1 "RMS(OBS, PRED)" N 56 3.815 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 54 1.918 1
99 1 17 1 "RMS(OBS, PRED)" CB 53 2.553 1
100 1 17 1 "RMS(OBS, PRED)" H 56 0.609 1
101 1 17 1 "RMS(OBS, PRED)" HA 61 nan 1
102 1 17 1 "RMS(OBS, PRED)" N 56 3.593 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 54 2.217 1
105 1 18 1 "RMS(OBS, PRED)" CB 53 2.628 1
106 1 18 1 "RMS(OBS, PRED)" H 56 0.585 1
107 1 18 1 "RMS(OBS, PRED)" HA 61 0.607 1
108 1 18 1 "RMS(OBS, PRED)" N 56 3.553 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 54 1.927 1
111 1 19 1 "RMS(OBS, PRED)" CB 53 2.625 1
112 1 19 1 "RMS(OBS, PRED)" H 56 0.644 1
113 1 19 1 "RMS(OBS, PRED)" HA 61 0.460 1
114 1 19 1 "RMS(OBS, PRED)" N 56 3.170 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 54 2.029 1
117 1 20 1 "RMS(OBS, PRED)" CB 53 2.568 1
118 1 20 1 "RMS(OBS, PRED)" H 56 0.618 1
119 1 20 1 "RMS(OBS, PRED)" HA 61 10.865 1
120 1 20 1 "RMS(OBS, PRED)" N 56 3.368 1
121 1 21 1 "RMS(OBS, PRED)" C 0 0.000 1
122 1 21 1 "RMS(OBS, PRED)" CA 54 2.196 1
123 1 21 1 "RMS(OBS, PRED)" CB 53 2.589 1
124 1 21 1 "RMS(OBS, PRED)" H 56 0.570 1
125 1 21 1 "RMS(OBS, PRED)" HA 61 4.722 1
126 1 21 1 "RMS(OBS, PRED)" N 56 3.575 1
127 1 22 1 "RMS(OBS, PRED)" C 0 0.000 1
128 1 22 1 "RMS(OBS, PRED)" CA 54 2.117 1
129 1 22 1 "RMS(OBS, PRED)" CB 53 2.522 1
130 1 22 1 "RMS(OBS, PRED)" H 56 0.599 1
131 1 22 1 "RMS(OBS, PRED)" HA 61 0.522 1
132 1 22 1 "RMS(OBS, PRED)" N 56 3.465 1
133 1 23 1 "RMS(OBS, PRED)" C 0 0.000 1
134 1 23 1 "RMS(OBS, PRED)" CA 54 2.134 1
135 1 23 1 "RMS(OBS, PRED)" CB 53 2.690 1
136 1 23 1 "RMS(OBS, PRED)" H 56 0.593 1
137 1 23 1 "RMS(OBS, PRED)" HA 61 nan 1
138 1 23 1 "RMS(OBS, PRED)" N 56 3.541 1
139 1 24 1 "RMS(OBS, PRED)" C 0 0.000 1
140 1 24 1 "RMS(OBS, PRED)" CA 54 1.873 1
141 1 24 1 "RMS(OBS, PRED)" CB 53 2.431 1
142 1 24 1 "RMS(OBS, PRED)" H 56 0.626 1
143 1 24 1 "RMS(OBS, PRED)" HA 61 nan 1
144 1 24 1 "RMS(OBS, PRED)" N 56 3.531 1
145 1 25 1 "RMS(OBS, PRED)" C 0 0.000 1
146 1 25 1 "RMS(OBS, PRED)" CA 54 2.029 1
147 1 25 1 "RMS(OBS, PRED)" CB 53 2.629 1
148 1 25 1 "RMS(OBS, PRED)" H 56 0.588 1
149 1 25 1 "RMS(OBS, PRED)" HA 61 nan 1
150 1 25 1 "RMS(OBS, PRED)" N 56 3.356 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 8 . 1 1 A 2 2 ILE H H 2 8.299 8.309 -0.010 2
1 9 . 1 1 A 2 2 ILE HA H 2 4.139 2.735 1.404 2
1 19 . 1 1 A 2 2 ILE CA C 2 61.463 60.684 0.779 2
1 20 . 1 1 A 2 2 ILE CB C 2 38.545 38.613 -0.068 2
1 24 . 1 1 A 2 2 ILE N N 2 121.433 120.450 0.983 2
1 25 . 1 1 A 3 3 VAL H H 3 8.245 8.333 -0.088 2
1 26 . 1 1 A 3 3 VAL HA H 3 4.138 2.362 1.776 2
1 34 . 1 1 A 3 3 VAL CA C 3 61.813 62.697 -0.884 2
1 35 . 1 1 A 3 3 VAL CB C 3 32.887 30.714 2.173 2
1 38 . 1 1 A 3 3 VAL N N 3 123.973 121.774 2.199 2
1 39 . 1 1 A 4 4 ASP H H 4 8.320 8.178 0.142 2
1 40 . 1 1 A 4 4 ASP HA H 4 4.499 3.226 1.273 2
1 43 . 1 1 A 4 4 ASP CA C 4 53.912 53.327 0.585 2
1 44 . 1 1 A 4 4 ASP CB C 4 41.523 42.881 -1.358 2
1 45 . 1 1 A 4 4 ASP N N 4 123.308 122.477 0.831 2
1 46 . 1 1 A 5 5 CYS H H 5 7.560 8.717 -1.157 2
1 47 . 1 1 A 5 5 CYS HA H 5 5.355 3.331 2.024 2
1 50 . 1 1 A 5 5 CYS CA C 5 54.544 55.347 -0.803 2
1 51 . 1 1 A 5 5 CYS CB C 5 44.815 45.577 -0.762 2
1 52 . 1 1 A 5 5 CYS N N 5 121.272 119.778 1.494 2
1 53 . 1 1 A 6 6 TRP H H 6 9.768 9.030 0.738 2
1 54 . 1 1 A 6 6 TRP HA H 6 4.727 3.823 0.904 2
1 58 . 1 1 A 6 6 TRP CB C 6 34.880 32.361 2.519 2
1 59 . 1 1 A 6 6 TRP N N 6 120.939 124.099 -3.160 2
1 61 . 1 1 A 7 7 GLU H H 7 10.518 8.744 1.774 2
1 62 . 1 1 A 7 7 GLU HA H 7 4.872 2.801 2.071 2
1 66 . 1 1 A 7 7 GLU CA C 7 59.493 57.603 1.890 2
1 67 . 1 1 A 7 7 GLU CB C 7 31.264 31.068 0.196 2
1 69 . 1 1 A 7 7 GLU N N 7 119.048 122.199 -3.151 2
1 70 . 1 1 A 8 8 THR H H 8 7.112 7.844 -0.732 2
1 71 . 1 1 A 8 8 THR HA H 8 4.509 2.821 1.688 2
1 76 . 1 1 A 8 8 THR CA C 8 57.991 61.874 -3.883 2
1 77 . 1 1 A 8 8 THR CB C 8 73.377 70.029 3.348 2
1 79 . 1 1 A 8 8 THR N N 8 103.295 112.349 -9.054 2
1 80 . 1 1 A 9 9 TRP H H 9 7.902 8.657 -0.755 2
1 81 . 1 1 A 9 9 TRP HA H 9 2.806 2.782 0.024 2
1 85 . 1 1 A 9 9 TRP CA C 9 62.403 60.209 2.194 2
1 86 . 1 1 A 9 9 TRP CB C 9 26.876 30.007 -3.131 2
1 87 . 1 1 A 9 9 TRP N N 9 121.679 125.414 -3.735 2
1 89 . 1 1 A 10 10 SER H H 10 8.585 8.400 0.185 2
1 90 . 1 1 A 10 10 SER HA H 10 3.354 2.676 0.678 2
1 93 . 1 1 A 10 10 SER CA C 10 61.924 60.925 0.999 2
1 94 . 1 1 A 10 10 SER CB C 10 62.121 62.804 -0.683 2
1 95 . 1 1 A 10 10 SER N N 10 114.940 114.462 0.478 2
1 96 . 1 1 A 11 11 ARG H H 11 7.619 7.859 -0.240 2
1 97 . 1 1 A 11 11 ARG HA H 11 3.797 2.499 1.298 2
1 103 . 1 1 A 11 11 ARG CA C 11 58.216 58.524 -0.308 2
1 104 . 1 1 A 11 11 ARG CB C 11 30.189 29.317 0.872 2
1 107 . 1 1 A 11 11 ARG N N 11 120.414 120.330 0.084 2
1 108 . 1 1 A 12 12 CYS H H 12 6.939 8.083 -1.144 2
1 109 . 1 1 A 12 12 CYS HA H 12 2.633 2.819 -0.186 2
1 112 . 1 1 A 12 12 CYS CA C 12 58.084 58.135 -0.051 2
1 113 . 1 1 A 12 12 CYS CB C 12 41.245 42.669 -1.424 2
1 114 . 1 1 A 12 12 CYS N N 12 114.990 117.406 -2.416 2
1 115 . 1 1 A 13 13 THR H H 13 7.600 7.707 -0.107 2
1 116 . 1 1 A 13 13 THR HA H 13 3.346 2.662 0.684 2
1 121 . 1 1 A 13 13 THR CA C 13 66.553 64.398 2.155 2
1 122 . 1 1 A 13 13 THR CB C 13 68.908 69.263 -0.355 2
1 124 . 1 1 A 13 13 THR N N 13 115.078 113.829 1.249 2
1 125 . 1 1 A 14 14 LYS H H 14 7.138 7.660 -0.522 2
1 126 . 1 1 A 14 14 LYS HA H 14 4.141 2.796 1.345 2
1 132 . 1 1 A 14 14 LYS CA C 14 56.515 56.391 0.124 2
1 133 . 1 1 A 14 14 LYS CB C 14 33.392 33.420 -0.028 2
1 137 . 1 1 A 14 14 LYS N N 14 119.549 118.673 0.876 2
1 138 . 1 1 A 15 15 TRP H H 15 7.747 7.916 -0.169 2
1 139 . 1 1 A 15 15 TRP HA H 15 4.360 3.163 1.197 2
1 143 . 1 1 A 15 15 TRP CA C 15 57.057 56.708 0.349 2
1 144 . 1 1 A 15 15 TRP CB C 15 29.949 31.518 -1.569 2
1 145 . 1 1 A 15 15 TRP N N 15 122.233 120.345 1.888 2
1 147 . 1 1 A 16 16 SER H H 16 7.845 8.712 -0.867 2
1 148 . 1 1 A 16 16 SER HA H 16 4.236 2.988 1.248 2
1 151 . 1 1 A 16 16 SER CA C 16 57.866 57.999 -0.133 2
1 152 . 1 1 A 16 16 SER CB C 16 64.242 64.730 -0.488 2
1 153 . 1 1 A 16 16 SER N N 16 116.282 116.756 -0.474 2
1 154 . 1 1 A 17 17 GLN H H 17 8.150 8.617 -0.467 2
1 155 . 1 1 A 17 17 GLN HA H 17 4.238 2.647 1.591 2
1 159 . 1 1 A 17 17 GLN CA C 17 55.929 56.370 -0.441 2
1 160 . 1 1 A 17 17 GLN CB C 17 29.663 28.751 0.912 2
1 162 . 1 1 A 17 17 GLN N N 17 122.525 122.140 0.385 2
1 163 . 1 1 A 18 18 GLY H H 18 8.313 8.528 -0.215 2
1 164 . 1 1 A 18 18 GLY HA2 H 18 3.928 3.329 0.599 2
1 165 . 1 1 A 18 18 GLY N N 18 110.285 109.770 0.515 2
1 166 . 1 1 A 19 19 GLY H H 19 8.241 8.245 -0.004 2
1 167 . 1 1 A 19 19 GLY HA2 H 19 3.939 3.393 0.546 2
1 168 . 1 1 A 19 19 GLY N N 19 108.776 110.989 -2.213 2
1 169 . 1 1 A 20 20 THR H H 20 8.166 8.104 0.062 2
1 170 . 1 1 A 20 20 THR HA H 20 4.318 2.547 1.771 2
1 175 . 1 1 A 20 20 THR CA C 20 61.985 63.609 -1.624 2
1 176 . 1 1 A 20 20 THR CB C 20 69.591 67.762 1.829 2
1 178 . 1 1 A 20 20 THR N N 20 113.035 112.146 0.889 2
1 179 . 1 1 A 21 21 GLY H H 21 8.423 8.350 0.073 2
1 180 . 1 1 A 21 21 GLY HA2 H 21 3.836 3.440 0.396 2
1 181 . 1 1 A 21 21 GLY HA3 H 21 4.047 3.440 0.607 2
1 182 . 1 1 A 21 21 GLY CA C 21 45.397 45.943 -0.546 2
1 183 . 1 1 A 21 21 GLY N N 21 111.299 110.438 0.861 2
1 184 . 1 1 A 22 22 THR H H 22 7.915 8.134 -0.219 2
1 185 . 1 1 A 22 22 THR HA H 22 4.279 2.718 1.561 2
1 190 . 1 1 A 22 22 THR CA C 22 61.845 63.048 -1.203 2
1 191 . 1 1 A 22 22 THR CB C 22 69.755 69.570 0.185 2
1 193 . 1 1 A 22 22 THR N N 22 113.293 114.646 -1.353 2
1 194 . 1 1 A 23 23 LEU H H 23 8.132 7.791 0.341 2
1 195 . 1 1 A 23 23 LEU HA H 23 4.282 2.792 1.490 2
1 205 . 1 1 A 23 23 LEU CA C 23 55.052 54.828 0.224 2
1 206 . 1 1 A 23 23 LEU CB C 23 42.511 42.089 0.422 2
1 210 . 1 1 A 23 23 LEU N N 23 124.055 119.418 4.637 2
1 211 . 1 1 A 24 24 TRP H H 24 8.011 7.897 0.114 2
1 212 . 1 1 A 24 24 TRP HA H 24 4.694 2.843 1.851 2
1 216 . 1 1 A 24 24 TRP CA C 24 56.611 58.846 -2.235 2
1 217 . 1 1 A 24 24 TRP CB C 24 30.203 29.352 0.851 2
1 218 . 1 1 A 24 24 TRP N N 24 122.196 121.284 0.912 2
1 220 . 1 1 A 25 25 LYS H H 25 8.384 7.909 0.475 2
1 221 . 1 1 A 25 25 LYS HA H 25 4.415 2.559 1.856 2
1 228 . 1 1 A 25 25 LYS CB C 25 34.608 31.798 2.810 2
1 232 . 1 1 A 25 25 LYS N N 25 122.979 119.546 3.433 2
1 233 . 1 1 A 26 26 SER H H 26 8.703 8.355 0.348 2
1 234 . 1 1 A 26 26 SER HA H 26 4.689 2.861 1.828 2
1 237 . 1 1 A 26 26 SER CA C 26 60.110 58.256 1.854 2
1 238 . 1 1 A 26 26 SER CB C 26 64.419 64.253 0.166 2
1 239 . 1 1 A 26 26 SER N N 26 117.775 113.424 4.351 2
1 240 . 1 1 A 27 27 CYS H H 27 8.216 8.929 -0.713 2
1 241 . 1 1 A 27 27 CYS HA H 27 4.382 2.668 1.714 2
1 244 . 1 1 A 27 27 CYS CA C 27 58.151 59.396 -1.245 2
1 245 . 1 1 A 27 27 CYS CB C 27 36.051 41.932 -5.881 2
1 246 . 1 1 A 27 27 CYS N N 27 119.629 121.889 -2.260 2
1 247 . 1 1 A 28 28 ASN H H 28 8.640 8.295 0.345 2
1 248 . 1 1 A 28 28 ASN HA H 28 4.039 2.785 1.254 2
1 251 . 1 1 A 28 28 ASN CA C 28 57.688 56.621 1.067 2
1 252 . 1 1 A 28 28 ASN CB C 28 39.578 39.314 0.264 2
1 253 . 1 1 A 28 28 ASN N N 28 117.431 119.774 -2.343 2
1 254 . 1 1 A 29 29 ASP H H 29 7.910 8.261 -0.351 2
1 255 . 1 1 A 29 29 ASP HA H 29 4.290 2.686 1.604 2
1 258 . 1 1 A 29 29 ASP CA C 29 57.649 57.373 0.276 2
1 259 . 1 1 A 29 29 ASP CB C 29 40.511 41.227 -0.716 2
1 260 . 1 1 A 29 29 ASP N N 29 117.680 119.366 -1.686 2
1 261 . 1 1 A 30 30 ARG H H 30 8.559 8.079 0.480 2
1 262 . 1 1 A 30 30 ARG HA H 30 3.792 2.472 1.320 2
1 267 . 1 1 A 30 30 ARG CA C 30 59.243 59.176 0.067 2
1 268 . 1 1 A 30 30 ARG CB C 30 29.806 29.653 0.153 2
1 271 . 1 1 A 30 30 ARG N N 30 121.907 117.976 3.931 2
1 272 . 1 1 A 31 31 CYS H H 31 8.066 8.099 -0.033 2
1 273 . 1 1 A 31 31 CYS HA H 31 4.285 2.755 1.530 2
1 276 . 1 1 A 31 31 CYS CA C 31 58.396 60.135 -1.739 2
1 277 . 1 1 A 31 31 CYS CB C 31 36.213 42.072 -5.859 2
1 278 . 1 1 A 31 31 CYS N N 31 117.122 117.935 -0.813 2
1 279 . 1 1 A 32 32 LYS H H 32 8.096 7.890 0.206 2
1 280 . 1 1 A 32 32 LYS HA H 32 4.402 2.446 1.956 2
1 286 . 1 1 A 32 32 LYS CA C 32 59.508 59.645 -0.137 2
1 287 . 1 1 A 32 32 LYS CB C 32 31.698 32.140 -0.442 2
1 289 . 1 1 A 32 32 LYS N N 32 121.727 120.744 0.983 2
1 290 . 1 1 A 33 33 GLU H H 33 8.131 8.085 0.046 2
1 291 . 1 1 A 33 33 GLU HA H 33 4.090 2.541 1.549 2
1 295 . 1 1 A 33 33 GLU CA C 33 59.018 58.743 0.275 2
1 296 . 1 1 A 33 33 GLU CB C 33 29.103 28.937 0.166 2
1 298 . 1 1 A 33 33 GLU N N 33 121.845 119.027 2.818 2
1 299 . 1 1 A 34 34 LEU H H 34 7.318 7.433 -0.115 2
1 300 . 1 1 A 34 34 LEU HA H 34 4.385 2.726 1.659 2
1 310 . 1 1 A 34 34 LEU CA C 34 54.830 55.129 -0.299 2
1 311 . 1 1 A 34 34 LEU CB C 34 42.243 42.481 -0.238 2
1 315 . 1 1 A 34 34 LEU N N 34 117.966 118.636 -0.670 2
1 316 . 1 1 A 35 35 GLY H H 35 7.931 8.070 -0.139 2
1 317 . 1 1 A 35 35 GLY HA2 H 35 3.793 3.385 0.408 2
1 318 . 1 1 A 35 35 GLY HA3 H 35 4.251 3.385 0.866 2
1 319 . 1 1 A 35 35 GLY CA C 35 39.163 45.902 -6.739 2
1 320 . 1 1 A 35 35 GLY N N 35 107.160 107.378 -0.218 2
1 321 . 1 1 A 36 36 ARG H H 36 7.772 7.708 0.064 2
1 322 . 1 1 A 36 36 ARG HA H 36 4.700 3.008 1.692 2
1 329 . 1 1 A 36 36 ARG CA C 36 52.697 54.456 -1.759 2
1 330 . 1 1 A 36 36 ARG CB C 36 27.998 32.824 -4.826 2
1 333 . 1 1 A 36 36 ARG N N 36 119.227 119.458 -0.231 2
1 334 . 1 1 A 37 37 LYS H H 37 9.057 8.854 0.203 2
1 335 . 1 1 A 37 37 LYS HA H 37 4.220 2.728 1.492 2
1 342 . 1 1 A 37 37 LYS CA C 37 58.398 57.668 0.730 2
1 343 . 1 1 A 37 37 LYS CB C 37 33.797 33.660 0.137 2
1 346 . 1 1 A 37 37 LYS N N 37 119.506 121.203 -1.697 2
1 347 . 1 1 A 38 38 ARG H H 38 8.278 7.884 0.394 2
1 348 . 1 1 A 38 38 ARG HA H 38 4.721 3.038 1.683 2
1 354 . 1 1 A 38 38 ARG CA C 38 54.582 54.554 0.028 2
1 355 . 1 1 A 38 38 ARG CB C 38 32.642 33.391 -0.749 2
1 358 . 1 1 A 38 38 ARG N N 38 113.248 115.820 -2.572 2
1 359 . 1 1 A 39 39 GLY H H 39 9.055 8.562 0.493 2
1 360 . 1 1 A 39 39 GLY HA2 H 39 3.895 3.769 0.126 2
1 361 . 1 1 A 39 39 GLY HA3 H 39 5.551 3.769 1.782 2
1 362 . 1 1 A 39 39 GLY CA C 39 46.770 44.908 1.862 2
1 363 . 1 1 A 39 39 GLY N N 39 107.276 107.321 -0.045 2
1 364 . 1 1 A 40 40 GLN H H 40 9.453 9.073 0.380 2
1 365 . 1 1 A 40 40 GLN HA H 40 4.717 3.062 1.655 2
1 370 . 1 1 A 40 40 GLN CA C 40 54.463 54.402 0.061 2
1 371 . 1 1 A 40 40 GLN CB C 40 32.364 31.323 1.041 2
1 373 . 1 1 A 40 40 GLN N N 40 120.430 120.967 -0.537 2
1 374 . 1 1 A 41 41 CYS H H 41 9.208 8.419 0.789 2
1 375 . 1 1 A 41 41 CYS HA H 41 5.935 3.087 2.848 2
1 378 . 1 1 A 41 41 CYS CA C 41 59.537 55.002 4.535 2
1 379 . 1 1 A 41 41 CYS CB C 41 48.386 42.295 6.091 2
1 380 . 1 1 A 41 41 CYS N N 41 122.768 121.532 1.236 2
1 381 . 1 1 A 42 42 GLU H H 42 9.529 9.092 0.437 2
1 382 . 1 1 A 42 42 GLU HA H 42 5.066 3.050 2.016 2
1 386 . 1 1 A 42 42 GLU CA C 42 54.869 54.610 0.259 2
1 387 . 1 1 A 42 42 GLU CB C 42 35.149 32.532 2.617 2
1 389 . 1 1 A 42 42 GLU N N 42 122.626 125.508 -2.882 2
1 390 . 1 1 A 43 43 GLU H H 43 8.450 8.438 0.012 2
1 391 . 1 1 A 43 43 GLU HA H 43 3.973 2.689 1.284 2
1 396 . 1 1 A 43 43 GLU CA C 43 55.920 56.493 -0.573 2
1 397 . 1 1 A 43 43 GLU CB C 43 29.068 28.736 0.332 2
1 399 . 1 1 A 43 43 GLU N N 43 122.712 121.958 0.754 2
1 400 . 1 1 A 44 44 LYS H H 44 8.051 7.798 0.253 2
1 401 . 1 1 A 44 44 LYS HA H 44 4.858 2.911 1.947 2
1 408 . 1 1 A 44 44 LYS CA C 44 51.858 54.149 -2.291 2
1 409 . 1 1 A 44 44 LYS CB C 44 33.736 32.628 1.108 2
1 413 . 1 1 A 44 44 LYS N N 44 124.525 122.666 1.859 2
1 414 . 1 1 A 45 45 PRO HA H 45 4.371 2.801 1.570 2
1 421 . 1 1 A 45 45 PRO CA C 45 64.556 63.686 0.870 2
1 422 . 1 1 A 45 45 PRO CB C 45 31.781 31.901 -0.120 2
1 425 . 1 1 A 46 46 SER H H 46 8.132 8.452 -0.320 2
1 426 . 1 1 A 46 46 SER HA H 46 4.119 2.666 1.453 2
1 429 . 1 1 A 46 46 SER CA C 46 60.190 60.350 -0.160 2
1 430 . 1 1 A 46 46 SER CB C 46 62.093 62.897 -0.804 2
1 431 . 1 1 A 46 46 SER N N 46 109.975 114.196 -4.221 2
1 432 . 1 1 A 47 47 ARG H H 47 7.381 7.777 -0.396 2
1 433 . 1 1 A 47 47 ARG HA H 47 4.448 2.765 1.683 2
1 438 . 1 1 A 47 47 ARG CA C 47 56.257 55.837 0.420 2
1 439 . 1 1 A 47 47 ARG CB C 47 32.699 30.693 2.006 2
1 442 . 1 1 A 47 47 ARG N N 47 120.043 116.986 3.057 2
1 443 . 1 1 A 48 48 CYS H H 48 7.864 7.587 0.277 2
1 444 . 1 1 A 48 48 CYS HA H 48 5.145 3.148 1.997 2
1 447 . 1 1 A 48 48 CYS CA C 48 52.322 53.338 -1.016 2
1 448 . 1 1 A 48 48 CYS CB C 48 41.255 44.199 -2.944 2
1 449 . 1 1 A 48 48 CYS N N 48 118.806 118.715 0.091 2
1 450 . 1 1 A 49 49 PRO HA H 49 4.475 2.830 1.645 2
1 457 . 1 1 A 49 49 PRO CA C 49 64.149 64.169 -0.020 2
1 458 . 1 1 A 49 49 PRO CB C 49 32.684 31.831 0.853 2
1 461 . 1 1 A 50 50 LEU H H 50 8.839 7.816 1.023 2
1 462 . 1 1 A 50 50 LEU HA H 50 4.436 2.887 1.549 2
1 472 . 1 1 A 50 50 LEU CA C 50 54.154 53.839 0.315 2
1 473 . 1 1 A 50 50 LEU CB C 50 41.344 42.530 -1.186 2
1 477 . 1 1 A 50 50 LEU N N 50 122.400 120.374 2.026 2
1 478 . 1 1 A 51 51 SER H H 51 8.563 8.798 -0.235 2
1 479 . 1 1 A 51 51 SER HA H 51 4.042 2.622 1.420 2
1 481 . 1 1 A 51 51 SER CA C 51 60.771 61.076 -0.305 2
1 482 . 1 1 A 51 51 SER CB C 51 62.818 63.052 -0.234 2
1 483 . 1 1 A 51 51 SER N N 51 120.571 118.973 1.598 2
1 484 . 1 1 A 52 52 LYS H H 52 8.067 8.029 0.038 2
1 485 . 1 1 A 52 52 LYS HA H 52 4.324 2.589 1.735 2
1 491 . 1 1 A 52 52 LYS CA C 52 56.796 58.128 -1.332 2
1 492 . 1 1 A 52 52 LYS CB C 52 31.870 32.385 -0.515 2
1 496 . 1 1 A 52 52 LYS N N 52 117.675 121.173 -3.498 2
1 497 . 1 1 A 53 53 LYS H H 53 7.619 7.681 -0.062 2
1 498 . 1 1 A 53 53 LYS HA H 53 4.426 2.704 1.722 2
1 504 . 1 1 A 53 53 LYS CA C 53 55.204 57.728 -2.524 2
1 505 . 1 1 A 53 53 LYS CB C 53 33.881 33.014 0.867 2
1 509 . 1 1 A 53 53 LYS N N 53 122.168 118.278 3.890 2
1 510 . 1 1 A 54 54 ALA H H 54 8.485 7.715 0.770 2
1 511 . 1 1 A 54 54 ALA HA H 54 4.410 2.465 1.945 2
1 515 . 1 1 A 54 54 ALA CA C 54 53.135 53.674 -0.539 2
1 516 . 1 1 A 54 54 ALA CB C 54 21.208 17.482 3.726 2
1 517 . 1 1 A 54 54 ALA N N 54 122.332 120.416 1.916 2
1 518 . 1 1 A 55 55 TRP H H 55 8.517 8.055 0.462 2
1 519 . 1 1 A 55 55 TRP HA H 55 4.676 3.137 1.539 2
1 523 . 1 1 A 55 55 TRP CA C 55 57.259 57.077 0.182 2
1 524 . 1 1 A 55 55 TRP CB C 55 30.373 30.782 -0.409 2
1 525 . 1 1 A 55 55 TRP N N 55 117.762 119.778 -2.016 2
1 527 . 1 1 A 56 56 THR H H 56 9.389 9.160 0.229 2
1 528 . 1 1 A 56 56 THR HA H 56 5.201 3.104 2.097 2
1 533 . 1 1 A 56 56 THR CA C 56 60.940 60.270 0.670 2
1 534 . 1 1 A 56 56 THR CB C 56 70.961 71.390 -0.429 2
1 536 . 1 1 A 56 56 THR N N 56 117.434 117.032 0.402 2
1 537 . 1 1 A 57 57 CYS H H 57 8.665 8.953 -0.288 2
1 538 . 1 1 A 57 57 CYS HA H 57 4.827 3.104 1.723 2
1 541 . 1 1 A 57 57 CYS CA C 57 56.272 55.613 0.659 2
1 542 . 1 1 A 57 57 CYS CB C 57 37.251 42.715 -5.464 2
1 543 . 1 1 A 57 57 CYS N N 57 126.085 123.488 2.597 2
1 544 . 1 1 A 58 58 ILE H H 58 9.150 9.128 0.022 2
1 545 . 1 1 A 58 58 ILE HA H 58 4.297 2.707 1.590 2
1 555 . 1 1 A 58 58 ILE CA C 58 58.322 60.804 -2.482 2
1 556 . 1 1 A 58 58 ILE CB C 58 37.652 37.928 -0.276 2
1 560 . 1 1 A 58 58 ILE N N 58 134.435 126.063 8.372 2
1 561 . 1 1 A 59 59 CYS H H 59 8.204 8.603 -0.399 2
1 562 . 1 1 A 59 59 CYS HA H 59 5.698 3.069 2.629 2
1 565 . 1 1 A 59 59 CYS CA C 59 51.508 56.077 -4.569 2
1 566 . 1 1 A 59 59 CYS CB C 59 36.523 42.639 -6.116 2
1 567 . 1 1 A 59 59 CYS N N 59 121.180 125.986 -4.806 2
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