data_16157_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16157
_Entry.PDB_ID 2KER
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 3 . 1 1 1 A 1 1 ALA HA H 5 4.015 4.365 -0.350 1
1 7 . 1 1 1 A 2 2 THR H H 6 7.608 7.293 0.315 1
1 8 . 1 1 1 A 2 2 THR C C 2 174.815 175.521 -0.706 1
1 9 . 1 1 1 A 2 2 THR CA C 2 56.801 65.151 -8.350 1
1 10 . 1 1 1 A 2 2 THR CB C 2 68.857 68.125 0.732 1
1 11 . 1 1 1 A 2 2 THR N N 6 113.279 113.014 0.265 1
1 12 . 1 1 1 A 5 5 PRO HA H 5 4.493 4.365 0.128 1
1 19 . 1 1 1 A 5 5 PRO CA C 5 61.290 63.789 -2.499 1
1 20 . 1 1 1 A 5 5 PRO CB C 5 30.190 31.931 -1.741 1
1 23 . 1 1 1 A 6 6 VAL H H 6 7.794 7.293 0.501 1
1 24 . 1 1 1 A 6 6 VAL HA H 6 3.880 4.631 -0.751 1
1 32 . 1 1 1 A 6 6 VAL C C 6 175.059 175.651 -0.592 1
1 33 . 1 1 1 A 6 6 VAL CA C 6 59.560 59.759 -0.199 1
1 34 . 1 1 1 A 6 6 VAL CB C 6 30.680 33.225 -2.545 1
1 37 . 1 1 1 A 6 6 VAL N N 6 118.616 113.014 5.602 1
1 38 . 1 1 1 A 7 7 ALA H H 7 8.029 8.433 -0.404 1
1 39 . 1 1 1 A 7 7 ALA HA H 7 4.167 4.284 -0.117 1
1 43 . 1 1 1 A 7 7 ALA C C 7 173.395 178.048 -4.653 1
1 44 . 1 1 1 A 7 7 ALA CA C 7 50.780 52.115 -1.335 1
1 45 . 1 1 1 A 7 7 ALA CB C 7 18.292 18.957 -0.665 1
1 46 . 1 1 1 A 7 7 ALA N N 7 126.653 123.075 3.578 1
1 47 . 1 1 1 A 8 8 GLU H H 8 8.587 7.986 0.601 1
1 48 . 1 1 1 A 8 8 GLU HA H 8 4.085 3.718 0.367 1
1 53 . 1 1 1 A 8 8 GLU C C 8 176.717 177.227 -0.510 1
1 54 . 1 1 1 A 8 8 GLU CA C 8 56.520 59.020 -2.500 1
1 55 . 1 1 1 A 8 8 GLU CB C 8 27.393 27.179 0.214 1
1 57 . 1 1 1 A 8 8 GLU N N 8 118.049 111.978 6.071 1
1 58 . 1 1 1 A 9 9 CYS H H 9 7.348 8.537 -1.189 1
1 59 . 1 1 1 A 9 9 CYS HA H 9 4.422 4.564 -0.142 1
1 62 . 1 1 1 A 9 9 CYS C C 9 173.399 173.593 -0.194 1
1 63 . 1 1 1 A 9 9 CYS CA C 9 51.850 57.488 -5.638 1
1 64 . 1 1 1 A 9 9 CYS CB C 9 38.617 42.547 -3.930 1
1 65 . 1 1 1 A 9 9 CYS N N 9 109.798 117.899 -8.101 1
1 66 . 1 1 1 A 10 10 VAL H H 10 7.682 7.437 0.245 1
1 67 . 1 1 1 A 10 10 VAL HA H 10 4.483 4.436 0.047 1
1 75 . 1 1 1 A 10 10 VAL C C 10 172.261 174.627 -2.366 1
1 76 . 1 1 1 A 10 10 VAL CA C 10 60.360 60.489 -0.129 1
1 77 . 1 1 1 A 10 10 VAL CB C 10 29.445 33.320 -3.875 1
1 80 . 1 1 1 A 10 10 VAL N N 10 125.088 121.016 4.072 1
1 81 . 1 1 1 A 11 11 GLU H H 11 8.322 9.030 -0.708 1
1 82 . 1 1 1 A 11 11 GLU HA H 11 4.644 4.869 -0.225 1
1 87 . 1 1 1 A 11 11 GLU C C 11 172.004 174.860 -2.856 1
1 88 . 1 1 1 A 11 11 GLU CA C 11 51.852 54.480 -2.628 1
1 89 . 1 1 1 A 11 11 GLU CB C 11 31.925 33.664 -1.739 1
1 91 . 1 1 1 A 11 11 GLU N N 11 124.099 126.821 -2.722 1
1 92 . 1 1 1 A 12 12 TYR H H 12 7.843 8.656 -0.813 1
1 93 . 1 1 1 A 12 12 TYR HA H 12 5.697 6.169 -0.472 1
1 100 . 1 1 1 A 12 12 TYR C C 12 172.281 174.155 -1.874 1
1 101 . 1 1 1 A 12 12 TYR CA C 12 53.160 55.852 -2.692 1
1 102 . 1 1 1 A 12 12 TYR CB C 12 40.610 40.814 -0.204 1
1 103 . 1 1 1 A 12 12 TYR N N 12 115.283 125.616 -10.333 1
1 104 . 1 1 1 A 13 13 PHE H H 13 9.057 8.848 0.209 1
1 105 . 1 1 1 A 13 13 PHE HA H 13 4.750 5.259 -0.509 1
1 106 . 1 1 1 A 13 13 PHE C C 13 170.766 173.617 -2.851 1
1 107 . 1 1 1 A 13 13 PHE CA C 13 54.815 56.460 -1.645 1
1 108 . 1 1 1 A 13 13 PHE CB C 13 39.947 43.422 -3.475 1
1 109 . 1 1 1 A 13 13 PHE N N 13 119.347 121.703 -2.356 1
1 110 . 1 1 1 A 14 14 GLN HA H 14 5.302 4.958 0.344 1
1 113 . 1 1 1 A 14 14 GLN CA C 14 53.700 54.573 -0.873 1
1 114 . 1 1 1 A 14 14 GLN CB C 14 30.685 29.902 0.783 1
1 115 . 1 1 1 A 15 15 SER H H 15 8.657 9.003 -0.346 1
1 116 . 1 1 1 A 15 15 SER HA H 15 4.715 4.612 0.103 1
1 117 . 1 1 1 A 15 15 SER C C 15 172.296 174.657 -2.361 1
1 118 . 1 1 1 A 15 15 SER CA C 15 54.708 56.868 -2.160 1
1 119 . 1 1 1 A 15 15 SER CB C 15 64.456 63.404 1.052 1
1 120 . 1 1 1 A 15 15 SER N N 15 119.667 117.098 2.569 1
1 121 . 1 1 1 A 17 17 ARG HA H 17 3.413 4.473 -1.060 1
1 124 . 1 1 1 A 17 17 ARG CA C 17 55.648 55.545 0.103 1
1 125 . 1 1 1 A 17 17 ARG CB C 17 29.496 31.221 -1.725 1
1 126 . 1 1 1 A 18 18 TYR H H 18 6.870 7.683 -0.813 1
1 127 . 1 1 1 A 18 18 TYR HA H 18 5.233 5.035 0.198 1
1 134 . 1 1 1 A 18 18 TYR C C 18 174.107 174.305 -0.198 1
1 135 . 1 1 1 A 18 18 TYR CA C 18 54.231 56.889 -2.658 1
1 136 . 1 1 1 A 18 18 TYR CB C 18 40.725 40.165 0.560 1
1 137 . 1 1 1 A 18 18 TYR N N 18 114.525 120.503 -5.978 1
1 138 . 1 1 1 A 19 19 THR H H 19 8.684 9.025 -0.341 1
1 139 . 1 1 1 A 19 19 THR HA H 19 5.061 5.154 -0.093 1
1 144 . 1 1 1 A 19 19 THR C C 19 173.054 173.333 -0.279 1
1 145 . 1 1 1 A 19 19 THR CA C 19 60.704 62.408 -1.704 1
1 146 . 1 1 1 A 19 19 THR CB C 19 67.997 68.414 -0.417 1
1 148 . 1 1 1 A 19 19 THR N N 19 119.368 123.629 -4.261 1
1 149 . 1 1 1 A 20 20 ASP H H 20 8.975 8.634 0.341 1
1 150 . 1 1 1 A 20 20 ASP HA H 20 5.690 4.725 0.965 1
1 153 . 1 1 1 A 20 20 ASP C C 20 171.832 174.561 -2.729 1
1 154 . 1 1 1 A 20 20 ASP CA C 20 52.039 52.826 -0.787 1
1 155 . 1 1 1 A 20 20 ASP CB C 20 42.292 40.492 1.800 1
1 156 . 1 1 1 A 20 20 ASP N N 20 128.307 126.678 1.629 1
1 157 . 1 1 1 A 21 21 VAL H H 21 9.496 8.284 1.212 1
1 158 . 1 1 1 A 21 21 VAL HA H 21 4.775 4.717 0.058 1
1 166 . 1 1 1 A 21 21 VAL C C 21 173.611 174.530 -0.919 1
1 167 . 1 1 1 A 21 21 VAL CA C 21 59.478 60.713 -1.235 1
1 168 . 1 1 1 A 21 21 VAL CB C 21 32.243 33.318 -1.075 1
1 171 . 1 1 1 A 21 21 VAL N N 21 123.356 124.858 -1.502 1
1 172 . 1 1 1 A 22 22 HIS H H 22 8.973 8.603 0.370 1
1 173 . 1 1 1 A 22 22 HIS HA H 22 4.622 5.979 -1.357 1
1 177 . 1 1 1 A 22 22 HIS C C 22 171.626 173.690 -2.064 1
1 178 . 1 1 1 A 22 22 HIS CA C 22 49.980 54.349 -4.369 1
1 179 . 1 1 1 A 22 22 HIS CB C 22 28.390 31.558 -3.168 1
1 180 . 1 1 1 A 22 22 HIS N N 22 124.534 126.776 -2.242 1
1 181 . 1 1 1 A 23 23 ASN H H 23 8.317 9.057 -0.740 1
1 182 . 1 1 1 A 23 23 ASN HA H 23 4.517 5.003 -0.486 1
1 185 . 1 1 1 A 23 23 ASN C C 23 171.836 176.063 -4.227 1
1 186 . 1 1 1 A 23 23 ASN CA C 23 49.380 53.406 -4.026 1
1 187 . 1 1 1 A 23 23 ASN CB C 23 36.018 40.047 -4.029 1
1 188 . 1 1 1 A 23 23 ASN N N 23 123.095 123.969 -0.874 1
1 189 . 1 1 1 A 24 24 GLY H H 24 7.602 8.427 -0.825 1
1 190 . 1 1 1 A 24 24 GLY HA2 H 24 4.051 4.237 -0.186 1
1 191 . 1 1 1 A 24 24 GLY HA3 H 24 3.381 4.238 -0.857 1
1 192 . 1 1 1 A 24 24 GLY C C 24 171.684 175.189 -3.505 1
1 193 . 1 1 1 A 24 24 GLY CA C 24 42.936 45.703 -2.767 1
1 194 . 1 1 1 A 24 24 GLY N N 24 113.217 110.034 3.183 1
1 195 . 1 1 1 A 25 25 CYS H H 25 8.145 7.996 0.149 1
1 196 . 1 1 1 A 25 25 CYS HA H 25 4.544 4.629 -0.085 1
1 199 . 1 1 1 A 25 25 CYS C C 25 172.305 173.583 -1.278 1
1 200 . 1 1 1 A 25 25 CYS CA C 25 50.790 57.090 -6.300 1
1 201 . 1 1 1 A 25 25 CYS CB C 25 39.528 42.815 -3.287 1
1 202 . 1 1 1 A 25 25 CYS N N 25 119.843 118.885 0.958 1
1 203 . 1 1 1 A 26 26 ALA H H 26 8.111 7.931 0.180 1
1 204 . 1 1 1 A 26 26 ALA HA H 26 4.084 4.033 0.051 1
1 208 . 1 1 1 A 26 26 ALA C C 26 172.481 175.487 -3.006 1
1 209 . 1 1 1 A 26 26 ALA CA C 26 50.950 54.246 -3.296 1
1 210 . 1 1 1 A 26 26 ALA CB C 26 17.251 18.086 -0.835 1
1 211 . 1 1 1 A 26 26 ALA N N 26 119.852 122.203 -2.351 1
1 212 . 1 1 1 A 27 27 ASP H H 27 6.938 7.681 -0.743 1
1 213 . 1 1 1 A 27 27 ASP HA H 27 4.787 5.242 -0.455 1
1 216 . 1 1 1 A 27 27 ASP C C 27 174.263 174.292 -0.029 1
1 217 . 1 1 1 A 27 27 ASP CA C 27 49.550 52.118 -2.568 1
1 218 . 1 1 1 A 27 27 ASP CB C 27 42.250 44.073 -1.823 1
1 219 . 1 1 1 A 27 27 ASP N N 27 113.761 116.087 -2.326 1
1 220 . 1 1 1 A 28 28 ALA H H 28 8.454 8.378 0.076 1
1 221 . 1 1 1 A 28 28 ALA HA H 28 3.986 4.887 -0.901 1
1 225 . 1 1 1 A 28 28 ALA C C 28 173.188 177.695 -4.507 1
1 226 . 1 1 1 A 28 28 ALA CA C 28 50.550 52.205 -1.655 1
1 227 . 1 1 1 A 28 28 ALA CB C 28 16.820 19.046 -2.226 1
1 228 . 1 1 1 A 28 28 ALA N N 28 121.635 123.446 -1.811 1
1 229 . 1 1 1 A 29 29 VAL H H 29 7.742 8.405 -0.663 1
1 230 . 1 1 1 A 29 29 VAL HA H 29 4.553 4.850 -0.297 1
1 238 . 1 1 1 A 29 29 VAL C C 29 174.826 174.136 0.690 1
1 239 . 1 1 1 A 29 29 VAL CA C 29 57.140 59.325 -2.185 1
1 240 . 1 1 1 A 29 29 VAL CB C 29 33.000 35.374 -2.374 1
1 243 . 1 1 1 A 29 29 VAL N N 29 113.732 117.774 -4.042 1
1 244 . 1 1 1 A 30 30 SER H H 30 8.101 8.841 -0.740 1
1 245 . 1 1 1 A 30 30 SER HA H 30 5.338 4.915 0.423 1
1 248 . 1 1 1 A 30 30 SER C C 30 171.613 174.417 -2.804 1
1 249 . 1 1 1 A 30 30 SER CA C 30 54.310 58.343 -4.033 1
1 250 . 1 1 1 A 30 30 SER CB C 30 62.237 63.909 -1.672 1
1 251 . 1 1 1 A 30 30 SER N N 30 118.729 120.911 -2.182 1
1 252 . 1 1 1 A 31 31 VAL H H 31 8.780 9.651 -0.871 1
1 253 . 1 1 1 A 31 31 VAL HA H 31 5.146 4.963 0.183 1
1 261 . 1 1 1 A 31 31 VAL C C 31 172.831 174.156 -1.325 1
1 262 . 1 1 1 A 31 31 VAL CA C 31 56.940 59.239 -2.299 1
1 263 . 1 1 1 A 31 31 VAL CB C 31 35.030 34.651 0.379 1
1 266 . 1 1 1 A 31 31 VAL N N 31 119.018 120.255 -1.237 1
1 267 . 1 1 1 A 32 32 THR H H 32 8.366 9.609 -1.243 1
1 268 . 1 1 1 A 32 32 THR HA H 32 4.498 4.959 -0.461 1
1 273 . 1 1 1 A 32 32 THR C C 32 171.480 172.800 -1.320 1
1 274 . 1 1 1 A 32 32 THR CA C 32 57.100 59.587 -2.487 1
1 275 . 1 1 1 A 32 32 THR CB C 32 67.767 72.329 -4.562 1
1 277 . 1 1 1 A 32 32 THR N N 32 115.885 119.164 -3.279 1
1 278 . 1 1 1 A 33 33 VAL H H 33 6.720 8.529 -1.809 1
1 279 . 1 1 1 A 33 33 VAL HA H 33 3.950 4.941 -0.991 1
1 287 . 1 1 1 A 33 33 VAL C C 33 169.808 173.236 -3.428 1
1 288 . 1 1 1 A 33 33 VAL CA C 33 57.990 58.902 -0.912 1
1 289 . 1 1 1 A 33 33 VAL CB C 33 32.331 34.639 -2.308 1
1 292 . 1 1 1 A 33 33 VAL N N 33 119.716 121.443 -1.727 1
1 293 . 1 1 1 A 34 34 GLU H H 34 7.670 9.070 -1.400 1
1 294 . 1 1 1 A 34 34 GLU HA H 34 4.187 4.623 -0.436 1
1 297 . 1 1 1 A 34 34 GLU C C 34 171.032 174.998 -3.966 1
1 298 . 1 1 1 A 34 34 GLU CA C 34 51.930 54.173 -2.243 1
1 299 . 1 1 1 A 34 34 GLU CB C 34 29.430 31.342 -1.912 1
1 300 . 1 1 1 A 34 34 GLU N N 34 123.182 124.545 -1.363 1
1 301 . 1 1 1 A 35 35 TYR H H 35 8.500 8.803 -0.303 1
1 302 . 1 1 1 A 35 35 TYR HA H 35 4.646 5.018 -0.372 1
1 309 . 1 1 1 A 35 35 TYR C C 35 172.817 177.201 -4.384 1
1 310 . 1 1 1 A 35 35 TYR CA C 35 55.880 57.845 -1.965 1
1 311 . 1 1 1 A 35 35 TYR CB C 35 38.300 40.428 -2.128 1
1 312 . 1 1 1 A 35 35 TYR N N 35 122.953 125.641 -2.688 1
1 313 . 1 1 1 A 36 36 THR H H 36 8.295 9.436 -1.141 1
1 314 . 1 1 1 A 36 36 THR HA H 36 3.731 3.942 -0.211 1
1 319 . 1 1 1 A 36 36 THR C C 36 175.873 174.892 0.981 1
1 320 . 1 1 1 A 36 36 THR CA C 36 65.169 66.170 -1.001 1
1 321 . 1 1 1 A 36 36 THR CB C 36 67.700 68.991 -1.291 1
1 323 . 1 1 1 A 36 36 THR N N 36 119.739 116.747 2.992 1
1 324 . 1 1 1 A 37 37 HIS H H 37 8.755 7.902 0.853 1
1 325 . 1 1 1 A 37 37 HIS HA H 37 4.807 4.776 0.031 1
1 329 . 1 1 1 A 37 37 HIS C C 37 173.381 175.638 -2.257 1
1 330 . 1 1 1 A 37 37 HIS CA C 37 53.412 57.649 -4.237 1
1 331 . 1 1 1 A 37 37 HIS CB C 37 27.137 31.717 -4.580 1
1 332 . 1 1 1 A 37 37 HIS N N 37 115.916 115.886 0.030 1
1 333 . 1 1 1 A 38 38 GLY H H 38 7.856 8.117 -0.261 1
1 334 . 1 1 1 A 38 38 GLY HA2 H 38 4.091 4.150 -0.059 1
1 335 . 1 1 1 A 38 38 GLY HA3 H 38 3.795 4.211 -0.416 1
1 336 . 1 1 1 A 38 38 GLY C C 38 174.479 174.640 -0.161 1
1 337 . 1 1 1 A 38 38 GLY CA C 38 43.935 45.514 -1.579 1
1 338 . 1 1 1 A 38 38 GLY N N 38 106.387 103.977 2.410 1
1 339 . 1 1 1 A 39 39 GLN H H 39 8.096 8.110 -0.014 1
1 340 . 1 1 1 A 39 39 GLN HA H 39 4.239 4.345 -0.106 1
1 345 . 1 1 1 A 39 39 GLN C C 39 171.748 175.201 -3.453 1
1 346 . 1 1 1 A 39 39 GLN CA C 39 55.050 55.280 -0.230 1
1 347 . 1 1 1 A 39 39 GLN CB C 39 26.580 28.377 -1.797 1
1 349 . 1 1 1 A 39 39 GLN N N 39 119.846 119.969 -0.123 1
1 350 . 1 1 1 A 40 40 TRP H H 40 8.286 8.053 0.233 1
1 351 . 1 1 1 A 40 40 TRP HA H 40 4.961 4.305 0.656 1
1 358 . 1 1 1 A 40 40 TRP C C 40 172.966 176.697 -3.731 1
1 359 . 1 1 1 A 40 40 TRP CA C 40 55.210 58.179 -2.969 1
1 360 . 1 1 1 A 40 40 TRP CB C 40 28.161 27.850 0.311 1
1 361 . 1 1 1 A 40 40 TRP N N 40 121.182 118.822 2.360 1
1 363 . 1 1 1 A 41 41 ALA H H 41 7.947 7.902 0.045 1
1 364 . 1 1 1 A 41 41 ALA HA H 41 4.641 4.442 0.199 1
1 368 . 1 1 1 A 41 41 ALA C C 41 174.070 176.095 -2.025 1
1 369 . 1 1 1 A 41 41 ALA CA C 41 47.995 50.768 -2.773 1
1 370 . 1 1 1 A 41 41 ALA CB C 41 18.627 19.610 -0.983 1
1 371 . 1 1 1 A 41 41 ALA N N 41 126.752 126.544 0.208 1
1 372 . 1 1 1 A 42 42 PRO HA H 42 4.240 4.352 -0.112 1
1 377 . 1 1 1 A 42 42 PRO CA C 42 60.853 62.782 -1.929 1
1 378 . 1 1 1 A 42 42 PRO CB C 42 30.203 29.401 0.802 1
1 379 . 1 1 1 A 43 43 CYS H H 43 8.229 7.446 0.783 1
1 380 . 1 1 1 A 43 43 CYS HA H 43 4.643 5.012 -0.369 1
1 383 . 1 1 1 A 43 43 CYS C C 43 173.099 171.890 1.209 1
1 384 . 1 1 1 A 43 43 CYS CA C 43 53.574 56.614 -3.040 1
1 385 . 1 1 1 A 43 43 CYS CB C 43 39.464 45.545 -6.081 1
1 386 . 1 1 1 A 43 43 CYS N N 43 119.646 118.851 0.795 1
1 387 . 1 1 1 A 44 44 ARG H H 44 8.931 9.336 -0.405 1
1 388 . 1 1 1 A 44 44 ARG HA H 44 4.653 4.735 -0.082 1
1 395 . 1 1 1 A 44 44 ARG C C 44 172.821 174.292 -1.471 1
1 396 . 1 1 1 A 44 44 ARG CA C 44 51.850 55.382 -3.532 1
1 397 . 1 1 1 A 44 44 ARG CB C 44 30.892 34.364 -3.472 1
1 400 . 1 1 1 A 44 44 ARG N N 44 128.546 126.012 2.534 1
1 401 . 1 1 1 A 45 45 VAL H H 45 8.242 8.544 -0.302 1
1 402 . 1 1 1 A 45 45 VAL HA H 45 4.625 4.430 0.195 1
1 410 . 1 1 1 A 45 45 VAL C C 45 172.339 175.083 -2.744 1
1 411 . 1 1 1 A 45 45 VAL CA C 45 59.800 62.455 -2.655 1
1 412 . 1 1 1 A 45 45 VAL CB C 45 29.914 32.931 -3.017 1
1 415 . 1 1 1 A 45 45 VAL N N 45 123.347 125.101 -1.754 1
1 416 . 1 1 1 A 46 46 ILE H H 46 9.161 9.236 -0.075 1
1 417 . 1 1 1 A 46 46 ILE HA H 46 4.241 4.896 -0.655 1
1 427 . 1 1 1 A 46 46 ILE C C 46 174.656 175.188 -0.532 1
1 428 . 1 1 1 A 46 46 ILE CA C 46 58.660 59.587 -0.927 1
1 429 . 1 1 1 A 46 46 ILE CB C 46 37.551 40.365 -2.814 1
1 432 . 1 1 1 A 46 46 ILE N N 46 128.086 128.415 -0.329 1
1 433 . 1 1 1 A 47 47 GLU H H 47 9.214 8.577 0.637 1
1 434 . 1 1 1 A 47 47 GLU HA H 47 4.182 4.758 -0.576 1
1 439 . 1 1 1 A 47 47 GLU C C 47 174.413 174.678 -0.265 1
1 440 . 1 1 1 A 47 47 GLU CA C 47 53.820 54.246 -0.426 1
1 441 . 1 1 1 A 47 47 GLU CB C 47 25.600 29.248 -3.648 1
1 443 . 1 1 1 A 47 47 GLU N N 47 129.614 126.528 3.086 1
1 444 . 1 1 1 A 48 48 PRO HA H 48 3.872 4.301 -0.429 1
1 451 . 1 1 1 A 48 48 PRO CA C 48 62.770 63.851 -1.081 1
1 452 . 1 1 1 A 48 48 PRO CB C 48 29.241 31.360 -2.119 1
1 455 . 1 1 1 A 49 49 GLY H H 49 8.330 8.902 -0.572 1
1 456 . 1 1 1 A 49 49 GLY HA2 H 49 4.140 3.988 0.152 1
1 457 . 1 1 1 A 49 49 GLY HA3 H 49 3.702 4.027 -0.325 1
1 458 . 1 1 1 A 49 49 GLY C C 49 176.101 174.891 1.210 1
1 459 . 1 1 1 A 49 49 GLY CA C 49 43.930 45.406 -1.476 1
1 460 . 1 1 1 A 49 49 GLY N N 49 115.617 113.078 2.539 1
1 461 . 1 1 1 A 50 50 GLY H H 50 8.496 8.709 -0.213 1
1 462 . 1 1 1 A 50 50 GLY HA2 H 50 4.374 4.115 0.259 1
1 463 . 1 1 1 A 50 50 GLY HA3 H 50 3.614 4.135 -0.521 1
1 464 . 1 1 1 A 50 50 GLY C C 50 172.758 173.674 -0.916 1
1 465 . 1 1 1 A 50 50 GLY CA C 50 42.550 44.258 -1.708 1
1 466 . 1 1 1 A 50 50 GLY N N 50 108.129 108.081 0.048 1
1 467 . 1 1 1 A 51 51 TRP H H 51 8.184 8.749 -0.565 1
1 468 . 1 1 1 A 51 51 TRP HA H 51 5.778 6.455 -0.677 1
1 475 . 1 1 1 A 51 51 TRP C C 51 170.134 175.529 -5.395 1
1 476 . 1 1 1 A 51 51 TRP CA C 51 53.820 55.772 -1.952 1
1 477 . 1 1 1 A 51 51 TRP CB C 51 30.930 34.032 -3.102 1
1 478 . 1 1 1 A 51 51 TRP N N 51 117.328 120.227 -2.899 1
1 480 . 1 1 1 A 52 52 ALA H H 52 9.354 8.914 0.440 1
1 481 . 1 1 1 A 52 52 ALA HA H 52 4.654 4.811 -0.157 1
1 485 . 1 1 1 A 52 52 ALA C C 52 174.350 175.569 -1.219 1
1 486 . 1 1 1 A 52 52 ALA CA C 52 49.250 51.008 -1.758 1
1 487 . 1 1 1 A 52 52 ALA CB C 52 20.971 21.111 -0.140 1
1 488 . 1 1 1 A 52 52 ALA N N 52 122.785 123.254 -0.469 1
1 489 . 1 1 1 A 53 53 THR H H 53 8.059 8.404 -0.345 1
1 490 . 1 1 1 A 53 53 THR HA H 53 5.251 4.390 0.861 1
1 495 . 1 1 1 A 53 53 THR C C 53 173.703 173.832 -0.129 1
1 496 . 1 1 1 A 53 53 THR CA C 53 60.321 62.577 -2.256 1
1 497 . 1 1 1 A 53 53 THR CB C 53 69.150 69.073 0.077 1
1 499 . 1 1 1 A 53 53 THR N N 53 115.813 118.287 -2.474 1
1 500 . 1 1 1 A 54 54 PHE H H 54 9.370 8.712 0.658 1
1 501 . 1 1 1 A 54 54 PHE HA H 54 4.827 4.957 -0.130 1
1 508 . 1 1 1 A 54 54 PHE C C 54 171.593 174.904 -3.311 1
1 509 . 1 1 1 A 54 54 PHE CA C 54 53.813 56.329 -2.516 1
1 510 . 1 1 1 A 54 54 PHE CB C 54 40.556 42.793 -2.237 1
1 511 . 1 1 1 A 54 54 PHE N N 54 125.684 124.267 1.417 1
1 512 . 1 1 1 A 55 55 ALA H H 55 8.706 8.725 -0.019 1
1 513 . 1 1 1 A 55 55 ALA HA H 55 4.362 4.217 0.145 1
1 517 . 1 1 1 A 55 55 ALA C C 55 173.468 177.982 -4.514 1
1 518 . 1 1 1 A 55 55 ALA CA C 55 52.010 52.568 -0.558 1
1 519 . 1 1 1 A 55 55 ALA CB C 55 16.740 19.342 -2.602 1
1 520 . 1 1 1 A 55 55 ALA N N 55 124.175 126.875 -2.700 1
1 521 . 1 1 1 A 56 56 GLY H H 56 7.517 8.619 -1.102 1
1 522 . 1 1 1 A 56 56 GLY HA2 H 56 4.252 4.122 0.130 1
1 523 . 1 1 1 A 56 56 GLY HA3 H 56 3.339 4.246 -0.907 1
1 524 . 1 1 1 A 56 56 GLY C C 56 178.583 174.948 3.635 1
1 525 . 1 1 1 A 56 56 GLY CA C 56 42.282 44.546 -2.264 1
1 526 . 1 1 1 A 56 56 GLY N N 56 110.256 111.088 -0.832 1
1 527 . 1 1 1 A 57 57 TYR H H 57 7.154 8.202 -1.048 1
1 528 . 1 1 1 A 57 57 TYR HA H 57 4.516 5.397 -0.881 1
1 535 . 1 1 1 A 57 57 TYR C C 57 170.587 176.233 -5.646 1
1 536 . 1 1 1 A 57 57 TYR CA C 57 55.130 57.535 -2.405 1
1 537 . 1 1 1 A 57 57 TYR CB C 57 36.127 38.407 -2.280 1
1 538 . 1 1 1 A 57 57 TYR N N 57 113.618 118.499 -4.881 1
1 539 . 1 1 1 A 58 58 GLY H H 58 8.498 8.522 -0.024 1
1 540 . 1 1 1 A 58 58 GLY HA2 H 58 3.946 4.097 -0.151 1
1 541 . 1 1 1 A 58 58 GLY HA3 H 58 3.420 4.122 -0.702 1
1 542 . 1 1 1 A 58 58 GLY C C 58 175.193 174.771 0.422 1
1 543 . 1 1 1 A 58 58 GLY CA C 58 43.806 45.053 -1.247 1
1 544 . 1 1 1 A 58 58 GLY N N 58 109.549 109.489 0.060 1
1 545 . 1 1 1 A 59 59 THR H H 59 8.301 8.899 -0.598 1
1 546 . 1 1 1 A 59 59 THR HA H 59 4.277 4.151 0.126 1
1 547 . 1 1 1 A 59 59 THR C C 59 172.318 174.494 -2.176 1
1 548 . 1 1 1 A 59 59 THR CA C 59 60.637 64.974 -4.337 1
1 549 . 1 1 1 A 59 59 THR CB C 59 67.412 68.909 -1.497 1
1 550 . 1 1 1 A 59 59 THR N N 59 111.031 115.148 -4.117 1
1 551 . 1 1 1 A 60 60 ASP H H 60 8.414 8.146 0.268 1
1 552 . 1 1 1 A 60 60 ASP HA H 60 4.679 4.696 -0.017 1
1 555 . 1 1 1 A 60 60 ASP C C 60 173.345 176.018 -2.673 1
1 556 . 1 1 1 A 60 60 ASP CA C 60 51.030 53.468 -2.438 1
1 557 . 1 1 1 A 60 60 ASP CB C 60 38.608 40.392 -1.784 1
1 558 . 1 1 1 A 60 60 ASP N N 60 120.007 119.969 0.038 1
1 559 . 1 1 1 A 61 61 GLY H H 61 7.967 7.999 -0.032 1
1 560 . 1 1 1 A 61 61 GLY HA2 H 61 3.550 4.078 -0.528 1
1 561 . 1 1 1 A 61 61 GLY HA3 H 61 2.879 4.107 -1.228 1
1 562 . 1 1 1 A 61 61 GLY C C 61 175.339 173.747 1.592 1
1 563 . 1 1 1 A 61 61 GLY CA C 61 44.956 44.999 -0.043 1
1 564 . 1 1 1 A 61 61 GLY N N 61 108.692 109.054 -0.362 1
1 565 . 1 1 1 A 62 62 ASN H H 62 8.507 8.068 0.439 1
1 566 . 1 1 1 A 62 62 ASN HA H 62 4.455 5.214 -0.759 1
1 571 . 1 1 1 A 62 62 ASN C C 62 172.217 175.183 -2.966 1
1 572 . 1 1 1 A 62 62 ASN CA C 62 48.627 53.368 -4.741 1
1 573 . 1 1 1 A 62 62 ASN CB C 62 34.339 40.047 -5.708 1
1 574 . 1 1 1 A 62 62 ASN N N 62 120.625 119.457 1.168 1
1 576 . 1 1 1 A 63 63 TYR H H 63 6.994 7.946 -0.952 1
1 577 . 1 1 1 A 63 63 TYR HA H 63 4.477 5.056 -0.579 1
1 580 . 1 1 1 A 63 63 TYR C C 63 172.042 173.879 -1.837 1
1 581 . 1 1 1 A 63 63 TYR CA C 63 56.210 58.486 -2.276 1
1 582 . 1 1 1 A 63 63 TYR CB C 63 36.755 41.730 -4.975 1
1 583 . 1 1 1 A 63 63 TYR N N 63 116.333 115.299 1.034 1
1 584 . 1 1 1 A 64 64 VAL H H 64 8.841 8.819 0.022 1
1 585 . 1 1 1 A 64 64 VAL HA H 64 3.689 3.770 -0.081 1
1 593 . 1 1 1 A 64 64 VAL C C 64 175.531 175.458 0.073 1
1 594 . 1 1 1 A 64 64 VAL CA C 64 61.550 62.272 -0.722 1
1 595 . 1 1 1 A 64 64 VAL CB C 64 30.583 31.823 -1.240 1
1 598 . 1 1 1 A 64 64 VAL N N 64 123.889 126.580 -2.691 1
1 599 . 1 1 1 A 65 65 THR H H 65 8.850 9.129 -0.279 1
1 600 . 1 1 1 A 65 65 THR HA H 65 4.210 4.125 0.085 1
1 605 . 1 1 1 A 65 65 THR C C 65 175.388 175.130 0.258 1
1 606 . 1 1 1 A 65 65 THR CA C 65 60.109 61.581 -1.472 1
1 607 . 1 1 1 A 65 65 THR CB C 65 66.710 69.713 -3.003 1
1 609 . 1 1 1 A 65 65 THR N N 65 119.739 118.864 0.875 1
1 610 . 1 1 1 A 66 66 GLY H H 66 6.907 7.317 -0.410 1
1 611 . 1 1 1 A 66 66 GLY HA2 H 66 3.769 4.230 -0.461 1
1 612 . 1 1 1 A 66 66 GLY HA3 H 66 3.583 4.255 -0.672 1
1 613 . 1 1 1 A 66 66 GLY C C 66 173.131 171.749 1.382 1
1 614 . 1 1 1 A 66 66 GLY CA C 66 42.950 44.669 -1.719 1
1 615 . 1 1 1 A 66 66 GLY N N 66 108.712 108.966 -0.254 1
1 616 . 1 1 1 A 67 67 LEU H H 67 7.723 8.652 -0.929 1
1 617 . 1 1 1 A 67 67 LEU HA H 67 4.628 4.849 -0.221 1
1 626 . 1 1 1 A 67 67 LEU C C 67 167.522 175.756 -8.234 1
1 627 . 1 1 1 A 67 67 LEU CA C 67 51.200 54.351 -3.151 1
1 628 . 1 1 1 A 67 67 LEU CB C 67 42.747 42.677 0.070 1
1 631 . 1 1 1 A 67 67 LEU N N 67 118.448 125.093 -6.645 1
1 632 . 1 1 1 A 68 68 HIS H H 68 8.003 9.135 -1.132 1
1 633 . 1 1 1 A 68 68 HIS HA H 68 4.890 5.071 -0.181 1
1 637 . 1 1 1 A 68 68 HIS C C 68 174.161 173.824 0.337 1
1 638 . 1 1 1 A 68 68 HIS CA C 68 52.180 54.724 -2.544 1
1 639 . 1 1 1 A 68 68 HIS CB C 68 31.877 33.363 -1.486 1
1 640 . 1 1 1 A 68 68 HIS N N 68 116.650 118.555 -1.905 1
1 641 . 1 1 1 A 69 69 THR H H 69 8.515 8.725 -0.210 1
1 642 . 1 1 1 A 69 69 THR HA H 69 4.808 4.281 0.527 1
1 647 . 1 1 1 A 69 69 THR C C 69 172.511 173.912 -1.401 1
1 648 . 1 1 1 A 69 69 THR CA C 69 60.130 62.822 -2.692 1
1 649 . 1 1 1 A 69 69 THR CB C 69 67.840 69.256 -1.416 1
1 651 . 1 1 1 A 69 69 THR N N 69 114.721 118.337 -3.616 1
1 652 . 1 1 1 A 70 70 CYS H H 70 7.731 9.648 -1.917 1
1 653 . 1 1 1 A 70 70 CYS HA H 70 4.786 5.015 -0.229 1
1 656 . 1 1 1 A 70 70 CYS C C 70 172.053 172.858 -0.805 1
1 657 . 1 1 1 A 70 70 CYS CA C 70 51.950 55.064 -3.114 1
1 658 . 1 1 1 A 70 70 CYS CB C 70 43.320 44.108 -0.788 1
1 659 . 1 1 1 A 70 70 CYS N N 70 117.575 126.329 -8.754 1
1 660 . 1 1 1 A 71 71 ASP H H 71 8.370 8.645 -0.275 1
1 661 . 1 1 1 A 71 71 ASP HA H 71 4.993 5.224 -0.231 1
1 664 . 1 1 1 A 71 71 ASP C C 71 169.692 175.146 -5.454 1
1 665 . 1 1 1 A 71 71 ASP CA C 71 48.815 51.604 -2.789 1
1 666 . 1 1 1 A 71 71 ASP CB C 71 40.118 41.950 -1.832 1
1 667 . 1 1 1 A 71 71 ASP N N 71 120.975 123.167 -2.192 1
1 668 . 1 1 1 A 72 72 PRO HA H 72 4.145 4.424 -0.279 1
1 675 . 1 1 1 A 72 72 PRO CA C 72 61.360 62.818 -1.458 1
1 676 . 1 1 1 A 72 72 PRO CB C 72 30.141 30.641 -0.500 1
1 679 . 1 1 1 A 73 73 ALA H H 73 8.169 8.067 0.102 1
1 680 . 1 1 1 A 73 73 ALA HA H 73 4.247 4.651 -0.404 1
1 684 . 1 1 1 A 73 73 ALA C C 73 174.353 175.950 -1.597 1
1 685 . 1 1 1 A 73 73 ALA CA C 73 50.370 51.877 -1.507 1
1 686 . 1 1 1 A 73 73 ALA CB C 73 17.230 19.029 -1.799 1
1 687 . 1 1 1 A 73 73 ALA N N 73 122.390 125.147 -2.757 1
1 688 . 1 1 1 A 74 74 THR H H 74 7.704 8.829 -1.125 1
1 689 . 1 1 1 A 74 74 THR C C 74 175.770 172.904 2.866 1
1 690 . 1 1 1 A 74 74 THR CA C 74 57.794 58.638 -0.844 1
1 691 . 1 1 1 A 74 74 THR CB C 74 67.994 69.410 -1.416 1
1 692 . 1 1 1 A 74 74 THR N N 74 114.834 117.522 -2.688 1
1 693 . 1 1 1 A 75 75 PRO HA H 75 4.386 4.375 0.011 1
1 700 . 1 1 1 A 75 75 PRO CA C 75 61.440 63.664 -2.224 1
1 701 . 1 1 1 A 75 75 PRO CB C 75 30.088 31.251 -1.163 1
1 704 . 1 1 1 A 76 76 SER H H 76 8.209 8.678 -0.469 1
1 705 . 1 1 1 A 76 76 SER HA H 76 4.373 4.118 0.255 1
1 708 . 1 1 1 A 76 76 SER C C 76 175.051 173.992 1.059 1
1 709 . 1 1 1 A 76 76 SER CA C 76 56.360 58.812 -2.452 1
1 710 . 1 1 1 A 76 76 SER CB C 76 61.939 61.773 0.166 1
1 711 . 1 1 1 A 76 76 SER N N 76 115.319 112.683 2.636 1
1 712 . 1 1 1 A 77 77 GLY H H 77 8.124 8.409 -0.285 1
1 713 . 1 1 1 A 77 77 GLY HA2 H 77 4.093 4.021 0.072 1
1 714 . 1 1 1 A 77 77 GLY HA3 H 77 3.577 4.022 -0.445 1
1 715 . 1 1 1 A 77 77 GLY C C 77 173.087 174.860 -1.773 1
1 716 . 1 1 1 A 77 77 GLY CA C 77 43.555 46.757 -3.202 1
1 717 . 1 1 1 A 77 77 GLY N N 77 110.791 112.137 -1.346 1
1 3 . 2 1 1 A 1 1 ALA HA H 5 4.015 4.524 -0.509 1
1 7 . 2 1 1 A 2 2 THR H H 6 7.608 8.602 -0.994 1
1 8 . 2 1 1 A 2 2 THR C C 2 174.815 175.097 -0.282 1
1 9 . 2 1 1 A 2 2 THR CA C 2 56.801 64.290 -7.489 1
1 10 . 2 1 1 A 2 2 THR CB C 2 68.857 69.162 -0.305 1
1 11 . 2 1 1 A 2 2 THR N N 6 113.279 120.991 -7.712 1
1 12 . 2 1 1 A 5 5 PRO HA H 5 4.493 4.524 -0.031 1
1 19 . 2 1 1 A 5 5 PRO CA C 5 61.290 62.200 -0.910 1
1 20 . 2 1 1 A 5 5 PRO CB C 5 30.190 32.462 -2.272 1
1 23 . 2 1 1 A 6 6 VAL H H 6 7.794 8.602 -0.808 1
1 24 . 2 1 1 A 6 6 VAL HA H 6 3.880 4.292 -0.412 1
1 32 . 2 1 1 A 6 6 VAL C C 6 175.059 176.587 -1.528 1
1 33 . 2 1 1 A 6 6 VAL CA C 6 59.560 63.611 -4.051 1
1 34 . 2 1 1 A 6 6 VAL CB C 6 30.680 31.646 -0.966 1
1 37 . 2 1 1 A 6 6 VAL N N 6 118.616 120.991 -2.375 1
1 38 . 2 1 1 A 7 7 ALA H H 7 8.029 8.576 -0.547 1
1 39 . 2 1 1 A 7 7 ALA HA H 7 4.167 4.102 0.065 1
1 43 . 2 1 1 A 7 7 ALA C C 7 173.395 178.030 -4.635 1
1 44 . 2 1 1 A 7 7 ALA CA C 7 50.780 52.166 -1.386 1
1 45 . 2 1 1 A 7 7 ALA CB C 7 18.292 19.248 -0.956 1
1 46 . 2 1 1 A 7 7 ALA N N 7 126.653 129.506 -2.853 1
1 47 . 2 1 1 A 8 8 GLU H H 8 8.587 7.709 0.878 1
1 48 . 2 1 1 A 8 8 GLU HA H 8 4.085 3.753 0.332 1
1 53 . 2 1 1 A 8 8 GLU C C 8 176.717 176.610 0.107 1
1 54 . 2 1 1 A 8 8 GLU CA C 8 56.520 58.590 -2.070 1
1 55 . 2 1 1 A 8 8 GLU CB C 8 27.393 27.106 0.287 1
1 57 . 2 1 1 A 8 8 GLU N N 8 118.049 112.369 5.680 1
1 58 . 2 1 1 A 9 9 CYS H H 9 7.348 8.198 -0.850 1
1 59 . 2 1 1 A 9 9 CYS HA H 9 4.422 4.587 -0.165 1
1 62 . 2 1 1 A 9 9 CYS C C 9 173.399 173.627 -0.228 1
1 63 . 2 1 1 A 9 9 CYS CA C 9 51.850 57.691 -5.841 1
1 64 . 2 1 1 A 9 9 CYS CB C 9 38.617 42.920 -4.303 1
1 65 . 2 1 1 A 9 9 CYS N N 9 109.798 117.076 -7.278 1
1 66 . 2 1 1 A 10 10 VAL H H 10 7.682 7.397 0.285 1
1 67 . 2 1 1 A 10 10 VAL HA H 10 4.483 4.449 0.034 1
1 75 . 2 1 1 A 10 10 VAL C C 10 172.261 174.492 -2.231 1
1 76 . 2 1 1 A 10 10 VAL CA C 10 60.360 60.451 -0.091 1
1 77 . 2 1 1 A 10 10 VAL CB C 10 29.445 33.591 -4.146 1
1 80 . 2 1 1 A 10 10 VAL N N 10 125.088 118.059 7.029 1
1 81 . 2 1 1 A 11 11 GLU H H 11 8.322 8.794 -0.472 1
1 82 . 2 1 1 A 11 11 GLU HA H 11 4.644 4.841 -0.197 1
1 87 . 2 1 1 A 11 11 GLU C C 11 172.004 174.748 -2.744 1
1 88 . 2 1 1 A 11 11 GLU CA C 11 51.852 54.651 -2.799 1
1 89 . 2 1 1 A 11 11 GLU CB C 11 31.925 33.711 -1.786 1
1 91 . 2 1 1 A 11 11 GLU N N 11 124.099 124.902 -0.803 1
1 92 . 2 1 1 A 12 12 TYR H H 12 7.843 8.634 -0.791 1
1 93 . 2 1 1 A 12 12 TYR HA H 12 5.697 6.107 -0.410 1
1 100 . 2 1 1 A 12 12 TYR C C 12 172.281 174.241 -1.960 1
1 101 . 2 1 1 A 12 12 TYR CA C 12 53.160 55.881 -2.721 1
1 102 . 2 1 1 A 12 12 TYR CB C 12 40.610 40.776 -0.166 1
1 103 . 2 1 1 A 12 12 TYR N N 12 115.283 125.836 -10.553 1
1 104 . 2 1 1 A 13 13 PHE H H 13 9.057 8.792 0.265 1
1 105 . 2 1 1 A 13 13 PHE HA H 13 4.750 5.066 -0.316 1
1 106 . 2 1 1 A 13 13 PHE C C 13 170.766 173.221 -2.455 1
1 107 . 2 1 1 A 13 13 PHE CA C 13 54.815 56.974 -2.159 1
1 108 . 2 1 1 A 13 13 PHE CB C 13 39.947 41.346 -1.399 1
1 109 . 2 1 1 A 13 13 PHE N N 13 119.347 120.301 -0.954 1
1 110 . 2 1 1 A 14 14 GLN HA H 14 5.302 4.842 0.460 1
1 113 . 2 1 1 A 14 14 GLN CA C 14 53.700 54.556 -0.856 1
1 114 . 2 1 1 A 14 14 GLN CB C 14 30.685 30.074 0.611 1
1 115 . 2 1 1 A 15 15 SER H H 15 8.657 9.136 -0.479 1
1 116 . 2 1 1 A 15 15 SER HA H 15 4.715 4.600 0.115 1
1 117 . 2 1 1 A 15 15 SER C C 15 172.296 173.375 -1.079 1
1 118 . 2 1 1 A 15 15 SER CA C 15 54.708 57.635 -2.927 1
1 119 . 2 1 1 A 15 15 SER CB C 15 64.456 62.743 1.713 1
1 120 . 2 1 1 A 15 15 SER N N 15 119.667 121.683 -2.016 1
1 121 . 2 1 1 A 17 17 ARG HA H 17 3.413 4.058 -0.645 1
1 124 . 2 1 1 A 17 17 ARG CA C 17 55.648 57.615 -1.967 1
1 125 . 2 1 1 A 17 17 ARG CB C 17 29.496 30.024 -0.528 1
1 126 . 2 1 1 A 18 18 TYR H H 18 6.870 7.837 -0.967 1
1 127 . 2 1 1 A 18 18 TYR HA H 18 5.233 5.014 0.219 1
1 134 . 2 1 1 A 18 18 TYR C C 18 174.107 174.279 -0.172 1
1 135 . 2 1 1 A 18 18 TYR CA C 18 54.231 56.208 -1.977 1
1 136 . 2 1 1 A 18 18 TYR CB C 18 40.725 39.901 0.824 1
1 137 . 2 1 1 A 18 18 TYR N N 18 114.525 118.535 -4.010 1
1 138 . 2 1 1 A 19 19 THR H H 19 8.684 9.146 -0.462 1
1 139 . 2 1 1 A 19 19 THR HA H 19 5.061 5.228 -0.167 1
1 144 . 2 1 1 A 19 19 THR C C 19 173.054 173.371 -0.317 1
1 145 . 2 1 1 A 19 19 THR CA C 19 60.704 62.677 -1.973 1
1 146 . 2 1 1 A 19 19 THR CB C 19 67.997 68.346 -0.349 1
1 148 . 2 1 1 A 19 19 THR N N 19 119.368 123.982 -4.614 1
1 149 . 2 1 1 A 20 20 ASP H H 20 8.975 8.371 0.604 1
1 150 . 2 1 1 A 20 20 ASP HA H 20 5.690 4.764 0.926 1
1 153 . 2 1 1 A 20 20 ASP C C 20 171.832 174.558 -2.726 1
1 154 . 2 1 1 A 20 20 ASP CA C 20 52.039 52.844 -0.805 1
1 155 . 2 1 1 A 20 20 ASP CB C 20 42.292 40.504 1.788 1
1 156 . 2 1 1 A 20 20 ASP N N 20 128.307 126.734 1.573 1
1 157 . 2 1 1 A 21 21 VAL H H 21 9.496 8.314 1.182 1
1 158 . 2 1 1 A 21 21 VAL HA H 21 4.775 4.715 0.060 1
1 166 . 2 1 1 A 21 21 VAL C C 21 173.611 174.063 -0.452 1
1 167 . 2 1 1 A 21 21 VAL CA C 21 59.478 60.569 -1.091 1
1 168 . 2 1 1 A 21 21 VAL CB C 21 32.243 33.727 -1.484 1
1 171 . 2 1 1 A 21 21 VAL N N 21 123.356 125.420 -2.064 1
1 172 . 2 1 1 A 22 22 HIS H H 22 8.973 8.694 0.279 1
1 173 . 2 1 1 A 22 22 HIS HA H 22 4.622 5.746 -1.124 1
1 177 . 2 1 1 A 22 22 HIS C C 22 171.626 173.777 -2.151 1
1 178 . 2 1 1 A 22 22 HIS CA C 22 49.980 54.472 -4.492 1
1 179 . 2 1 1 A 22 22 HIS CB C 22 28.390 30.715 -2.325 1
1 180 . 2 1 1 A 22 22 HIS N N 22 124.534 128.300 -3.766 1
1 181 . 2 1 1 A 23 23 ASN H H 23 8.317 9.107 -0.790 1
1 182 . 2 1 1 A 23 23 ASN HA H 23 4.517 4.913 -0.396 1
1 185 . 2 1 1 A 23 23 ASN C C 23 171.836 176.194 -4.358 1
1 186 . 2 1 1 A 23 23 ASN CA C 23 49.380 53.669 -4.289 1
1 187 . 2 1 1 A 23 23 ASN CB C 23 36.018 40.019 -4.001 1
1 188 . 2 1 1 A 23 23 ASN N N 23 123.095 124.899 -1.804 1
1 189 . 2 1 1 A 24 24 GLY H H 24 7.602 8.565 -0.963 1
1 190 . 2 1 1 A 24 24 GLY HA2 H 24 4.051 4.161 -0.110 1
1 191 . 2 1 1 A 24 24 GLY HA3 H 24 3.381 4.165 -0.784 1
1 192 . 2 1 1 A 24 24 GLY C C 24 171.684 174.141 -2.457 1
1 193 . 2 1 1 A 24 24 GLY CA C 24 42.936 45.579 -2.643 1
1 194 . 2 1 1 A 24 24 GLY N N 24 113.217 110.407 2.810 1
1 195 . 2 1 1 A 25 25 CYS H H 25 8.145 7.837 0.308 1
1 196 . 2 1 1 A 25 25 CYS HA H 25 4.544 4.694 -0.150 1
1 199 . 2 1 1 A 25 25 CYS C C 25 172.305 173.658 -1.353 1
1 200 . 2 1 1 A 25 25 CYS CA C 25 50.790 56.060 -5.270 1
1 201 . 2 1 1 A 25 25 CYS CB C 25 39.528 43.485 -3.957 1
1 202 . 2 1 1 A 25 25 CYS N N 25 119.843 119.007 0.836 1
1 203 . 2 1 1 A 26 26 ALA H H 26 8.111 8.695 -0.584 1
1 204 . 2 1 1 A 26 26 ALA HA H 26 4.084 4.269 -0.185 1
1 208 . 2 1 1 A 26 26 ALA C C 26 172.481 176.659 -4.178 1
1 209 . 2 1 1 A 26 26 ALA CA C 26 50.950 53.542 -2.592 1
1 210 . 2 1 1 A 26 26 ALA CB C 26 17.251 19.274 -2.023 1
1 211 . 2 1 1 A 26 26 ALA N N 26 119.852 124.588 -4.736 1
1 212 . 2 1 1 A 27 27 ASP H H 27 6.938 7.717 -0.779 1
1 213 . 2 1 1 A 27 27 ASP HA H 27 4.787 5.156 -0.369 1
1 216 . 2 1 1 A 27 27 ASP C C 27 174.263 175.255 -0.992 1
1 217 . 2 1 1 A 27 27 ASP CA C 27 49.550 52.450 -2.900 1
1 218 . 2 1 1 A 27 27 ASP CB C 27 42.250 43.449 -1.199 1
1 219 . 2 1 1 A 27 27 ASP N N 27 113.761 117.034 -3.273 1
1 220 . 2 1 1 A 28 28 ALA H H 28 8.454 8.457 -0.003 1
1 221 . 2 1 1 A 28 28 ALA HA H 28 3.986 4.827 -0.841 1
1 225 . 2 1 1 A 28 28 ALA C C 28 173.188 177.593 -4.405 1
1 226 . 2 1 1 A 28 28 ALA CA C 28 50.550 52.279 -1.729 1
1 227 . 2 1 1 A 28 28 ALA CB C 28 16.820 19.077 -2.257 1
1 228 . 2 1 1 A 28 28 ALA N N 28 121.635 123.960 -2.325 1
1 229 . 2 1 1 A 29 29 VAL H H 29 7.742 8.477 -0.735 1
1 230 . 2 1 1 A 29 29 VAL HA H 29 4.553 4.862 -0.309 1
1 238 . 2 1 1 A 29 29 VAL C C 29 174.826 174.308 0.518 1
1 239 . 2 1 1 A 29 29 VAL CA C 29 57.140 59.505 -2.365 1
1 240 . 2 1 1 A 29 29 VAL CB C 29 33.000 34.883 -1.883 1
1 243 . 2 1 1 A 29 29 VAL N N 29 113.732 118.216 -4.484 1
1 244 . 2 1 1 A 30 30 SER H H 30 8.101 8.838 -0.737 1
1 245 . 2 1 1 A 30 30 SER HA H 30 5.338 4.847 0.491 1
1 248 . 2 1 1 A 30 30 SER C C 30 171.613 174.394 -2.781 1
1 249 . 2 1 1 A 30 30 SER CA C 30 54.310 58.380 -4.070 1
1 250 . 2 1 1 A 30 30 SER CB C 30 62.237 63.901 -1.664 1
1 251 . 2 1 1 A 30 30 SER N N 30 118.729 122.201 -3.472 1
1 252 . 2 1 1 A 31 31 VAL H H 31 8.780 9.693 -0.913 1
1 253 . 2 1 1 A 31 31 VAL HA H 31 5.146 5.017 0.129 1
1 261 . 2 1 1 A 31 31 VAL C C 31 172.831 174.311 -1.480 1
1 262 . 2 1 1 A 31 31 VAL CA C 31 56.940 59.235 -2.295 1
1 263 . 2 1 1 A 31 31 VAL CB C 31 35.030 34.820 0.210 1
1 266 . 2 1 1 A 31 31 VAL N N 31 119.018 120.401 -1.383 1
1 267 . 2 1 1 A 32 32 THR H H 32 8.366 9.594 -1.228 1
1 268 . 2 1 1 A 32 32 THR HA H 32 4.498 4.990 -0.492 1
1 273 . 2 1 1 A 32 32 THR C C 32 171.480 172.637 -1.157 1
1 274 . 2 1 1 A 32 32 THR CA C 32 57.100 59.636 -2.536 1
1 275 . 2 1 1 A 32 32 THR CB C 32 67.767 72.349 -4.582 1
1 277 . 2 1 1 A 32 32 THR N N 32 115.885 118.707 -2.822 1
1 278 . 2 1 1 A 33 33 VAL H H 33 6.720 8.597 -1.877 1
1 279 . 2 1 1 A 33 33 VAL HA H 33 3.950 4.943 -0.993 1
1 287 . 2 1 1 A 33 33 VAL C C 33 169.808 173.408 -3.600 1
1 288 . 2 1 1 A 33 33 VAL CA C 33 57.990 59.557 -1.567 1
1 289 . 2 1 1 A 33 33 VAL CB C 33 32.331 34.343 -2.012 1
1 292 . 2 1 1 A 33 33 VAL N N 33 119.716 121.533 -1.817 1
1 293 . 2 1 1 A 34 34 GLU H H 34 7.670 9.273 -1.603 1
1 294 . 2 1 1 A 34 34 GLU HA H 34 4.187 4.571 -0.384 1
1 297 . 2 1 1 A 34 34 GLU C C 34 171.032 174.954 -3.922 1
1 298 . 2 1 1 A 34 34 GLU CA C 34 51.930 54.220 -2.290 1
1 299 . 2 1 1 A 34 34 GLU CB C 34 29.430 30.657 -1.227 1
1 300 . 2 1 1 A 34 34 GLU N N 34 123.182 125.459 -2.277 1
1 301 . 2 1 1 A 35 35 TYR H H 35 8.500 8.803 -0.303 1
1 302 . 2 1 1 A 35 35 TYR HA H 35 4.646 4.981 -0.335 1
1 309 . 2 1 1 A 35 35 TYR C C 35 172.817 177.215 -4.398 1
1 310 . 2 1 1 A 35 35 TYR CA C 35 55.880 58.086 -2.206 1
1 311 . 2 1 1 A 35 35 TYR CB C 35 38.300 40.260 -1.960 1
1 312 . 2 1 1 A 35 35 TYR N N 35 122.953 125.578 -2.625 1
1 313 . 2 1 1 A 36 36 THR H H 36 8.295 9.402 -1.107 1
1 314 . 2 1 1 A 36 36 THR HA H 36 3.731 3.971 -0.240 1
1 319 . 2 1 1 A 36 36 THR C C 36 175.873 174.913 0.960 1
1 320 . 2 1 1 A 36 36 THR CA C 36 65.169 66.455 -1.286 1
1 321 . 2 1 1 A 36 36 THR CB C 36 67.700 68.674 -0.974 1
1 323 . 2 1 1 A 36 36 THR N N 36 119.739 117.063 2.676 1
1 324 . 2 1 1 A 37 37 HIS H H 37 8.755 7.863 0.892 1
1 325 . 2 1 1 A 37 37 HIS HA H 37 4.807 4.714 0.093 1
1 329 . 2 1 1 A 37 37 HIS C C 37 173.381 175.719 -2.338 1
1 330 . 2 1 1 A 37 37 HIS CA C 37 53.412 57.638 -4.226 1
1 331 . 2 1 1 A 37 37 HIS CB C 37 27.137 31.334 -4.197 1
1 332 . 2 1 1 A 37 37 HIS N N 37 115.916 115.138 0.778 1
1 333 . 2 1 1 A 38 38 GLY H H 38 7.856 8.006 -0.150 1
1 334 . 2 1 1 A 38 38 GLY HA2 H 38 4.091 4.084 0.007 1
1 335 . 2 1 1 A 38 38 GLY HA3 H 38 3.795 4.157 -0.362 1
1 336 . 2 1 1 A 38 38 GLY C C 38 174.479 174.548 -0.069 1
1 337 . 2 1 1 A 38 38 GLY CA C 38 43.935 45.500 -1.565 1
1 338 . 2 1 1 A 38 38 GLY N N 38 106.387 104.134 2.253 1
1 339 . 2 1 1 A 39 39 GLN H H 39 8.096 7.901 0.195 1
1 340 . 2 1 1 A 39 39 GLN HA H 39 4.239 4.330 -0.091 1
1 345 . 2 1 1 A 39 39 GLN C C 39 171.748 175.320 -3.572 1
1 346 . 2 1 1 A 39 39 GLN CA C 39 55.050 55.270 -0.220 1
1 347 . 2 1 1 A 39 39 GLN CB C 39 26.580 28.367 -1.787 1
1 349 . 2 1 1 A 39 39 GLN N N 39 119.846 119.149 0.697 1
1 350 . 2 1 1 A 40 40 TRP H H 40 8.286 8.005 0.281 1
1 351 . 2 1 1 A 40 40 TRP HA H 40 4.961 4.294 0.667 1
1 358 . 2 1 1 A 40 40 TRP C C 40 172.966 176.712 -3.746 1
1 359 . 2 1 1 A 40 40 TRP CA C 40 55.210 58.180 -2.970 1
1 360 . 2 1 1 A 40 40 TRP CB C 40 28.161 27.816 0.345 1
1 361 . 2 1 1 A 40 40 TRP N N 40 121.182 118.810 2.372 1
1 363 . 2 1 1 A 41 41 ALA H H 41 7.947 8.025 -0.078 1
1 364 . 2 1 1 A 41 41 ALA HA H 41 4.641 4.879 -0.238 1
1 368 . 2 1 1 A 41 41 ALA C C 41 174.070 176.352 -2.282 1
1 369 . 2 1 1 A 41 41 ALA CA C 41 47.995 51.068 -3.073 1
1 370 . 2 1 1 A 41 41 ALA CB C 41 18.627 19.914 -1.287 1
1 371 . 2 1 1 A 41 41 ALA N N 41 126.752 126.654 0.098 1
1 372 . 2 1 1 A 42 42 PRO HA H 42 4.240 4.447 -0.207 1
1 377 . 2 1 1 A 42 42 PRO CA C 42 60.853 62.796 -1.943 1
1 378 . 2 1 1 A 42 42 PRO CB C 42 30.203 29.334 0.869 1
1 379 . 2 1 1 A 43 43 CYS H H 43 8.229 7.470 0.759 1
1 380 . 2 1 1 A 43 43 CYS HA H 43 4.643 5.036 -0.393 1
1 383 . 2 1 1 A 43 43 CYS C C 43 173.099 171.887 1.212 1
1 384 . 2 1 1 A 43 43 CYS CA C 43 53.574 56.670 -3.096 1
1 385 . 2 1 1 A 43 43 CYS CB C 43 39.464 45.669 -6.205 1
1 386 . 2 1 1 A 43 43 CYS N N 43 119.646 119.371 0.275 1
1 387 . 2 1 1 A 44 44 ARG H H 44 8.931 9.314 -0.383 1
1 388 . 2 1 1 A 44 44 ARG HA H 44 4.653 4.750 -0.097 1
1 395 . 2 1 1 A 44 44 ARG C C 44 172.821 174.447 -1.626 1
1 396 . 2 1 1 A 44 44 ARG CA C 44 51.850 55.544 -3.694 1
1 397 . 2 1 1 A 44 44 ARG CB C 44 30.892 33.977 -3.085 1
1 400 . 2 1 1 A 44 44 ARG N N 44 128.546 125.927 2.619 1
1 401 . 2 1 1 A 45 45 VAL H H 45 8.242 8.592 -0.350 1
1 402 . 2 1 1 A 45 45 VAL HA H 45 4.625 4.428 0.197 1
1 410 . 2 1 1 A 45 45 VAL C C 45 172.339 175.209 -2.870 1
1 411 . 2 1 1 A 45 45 VAL CA C 45 59.800 62.481 -2.681 1
1 412 . 2 1 1 A 45 45 VAL CB C 45 29.914 32.976 -3.062 1
1 415 . 2 1 1 A 45 45 VAL N N 45 123.347 124.750 -1.403 1
1 416 . 2 1 1 A 46 46 ILE H H 46 9.161 9.304 -0.143 1
1 417 . 2 1 1 A 46 46 ILE HA H 46 4.241 4.760 -0.519 1
1 427 . 2 1 1 A 46 46 ILE C C 46 174.656 175.757 -1.101 1
1 428 . 2 1 1 A 46 46 ILE CA C 46 58.660 59.885 -1.225 1
1 429 . 2 1 1 A 46 46 ILE CB C 46 37.551 39.810 -2.259 1
1 432 . 2 1 1 A 46 46 ILE N N 46 128.086 128.663 -0.577 1
1 433 . 2 1 1 A 47 47 GLU H H 47 9.214 8.667 0.547 1
1 434 . 2 1 1 A 47 47 GLU HA H 47 4.182 4.715 -0.533 1
1 439 . 2 1 1 A 47 47 GLU C C 47 174.413 175.034 -0.621 1
1 440 . 2 1 1 A 47 47 GLU CA C 47 53.820 54.505 -0.685 1
1 441 . 2 1 1 A 47 47 GLU CB C 47 25.600 29.339 -3.739 1
1 443 . 2 1 1 A 47 47 GLU N N 47 129.614 126.982 2.632 1
1 444 . 2 1 1 A 48 48 PRO HA H 48 3.872 4.494 -0.622 1
1 451 . 2 1 1 A 48 48 PRO CA C 48 62.770 63.781 -1.011 1
1 452 . 2 1 1 A 48 48 PRO CB C 48 29.241 31.341 -2.100 1
1 455 . 2 1 1 A 49 49 GLY H H 49 8.330 8.646 -0.316 1
1 456 . 2 1 1 A 49 49 GLY HA2 H 49 4.140 3.953 0.187 1
1 457 . 2 1 1 A 49 49 GLY HA3 H 49 3.702 3.989 -0.287 1
1 458 . 2 1 1 A 49 49 GLY C C 49 176.101 174.706 1.395 1
1 459 . 2 1 1 A 49 49 GLY CA C 49 43.930 45.357 -1.427 1
1 460 . 2 1 1 A 49 49 GLY N N 49 115.617 113.097 2.520 1
1 461 . 2 1 1 A 50 50 GLY H H 50 8.496 8.619 -0.123 1
1 462 . 2 1 1 A 50 50 GLY HA2 H 50 4.374 4.109 0.265 1
1 463 . 2 1 1 A 50 50 GLY HA3 H 50 3.614 4.129 -0.515 1
1 464 . 2 1 1 A 50 50 GLY C C 50 172.758 173.749 -0.991 1
1 465 . 2 1 1 A 50 50 GLY CA C 50 42.550 44.245 -1.695 1
1 466 . 2 1 1 A 50 50 GLY N N 50 108.129 108.055 0.074 1
1 467 . 2 1 1 A 51 51 TRP H H 51 8.184 8.714 -0.530 1
1 468 . 2 1 1 A 51 51 TRP HA H 51 5.778 6.440 -0.662 1
1 475 . 2 1 1 A 51 51 TRP C C 51 170.134 175.455 -5.321 1
1 476 . 2 1 1 A 51 51 TRP CA C 51 53.820 55.779 -1.959 1
1 477 . 2 1 1 A 51 51 TRP CB C 51 30.930 33.920 -2.990 1
1 478 . 2 1 1 A 51 51 TRP N N 51 117.328 120.146 -2.818 1
1 480 . 2 1 1 A 52 52 ALA H H 52 9.354 8.914 0.440 1
1 481 . 2 1 1 A 52 52 ALA HA H 52 4.654 4.864 -0.210 1
1 485 . 2 1 1 A 52 52 ALA C C 52 174.350 175.346 -0.996 1
1 486 . 2 1 1 A 52 52 ALA CA C 52 49.250 50.947 -1.697 1
1 487 . 2 1 1 A 52 52 ALA CB C 52 20.971 21.179 -0.208 1
1 488 . 2 1 1 A 52 52 ALA N N 52 122.785 123.071 -0.286 1
1 489 . 2 1 1 A 53 53 THR H H 53 8.059 8.452 -0.393 1
1 490 . 2 1 1 A 53 53 THR HA H 53 5.251 4.427 0.824 1
1 495 . 2 1 1 A 53 53 THR C C 53 173.703 173.850 -0.147 1
1 496 . 2 1 1 A 53 53 THR CA C 53 60.321 62.378 -2.057 1
1 497 . 2 1 1 A 53 53 THR CB C 53 69.150 69.122 0.028 1
1 499 . 2 1 1 A 53 53 THR N N 53 115.813 118.148 -2.335 1
1 500 . 2 1 1 A 54 54 PHE H H 54 9.370 8.721 0.649 1
1 501 . 2 1 1 A 54 54 PHE HA H 54 4.827 4.912 -0.085 1
1 508 . 2 1 1 A 54 54 PHE C C 54 171.593 174.929 -3.336 1
1 509 . 2 1 1 A 54 54 PHE CA C 54 53.813 56.527 -2.714 1
1 510 . 2 1 1 A 54 54 PHE CB C 54 40.556 43.069 -2.513 1
1 511 . 2 1 1 A 54 54 PHE N N 54 125.684 124.520 1.164 1
1 512 . 2 1 1 A 55 55 ALA H H 55 8.706 8.860 -0.154 1
1 513 . 2 1 1 A 55 55 ALA HA H 55 4.362 4.341 0.021 1
1 517 . 2 1 1 A 55 55 ALA C C 55 173.468 177.866 -4.398 1
1 518 . 2 1 1 A 55 55 ALA CA C 55 52.010 52.267 -0.257 1
1 519 . 2 1 1 A 55 55 ALA CB C 55 16.740 18.998 -2.258 1
1 520 . 2 1 1 A 55 55 ALA N N 55 124.175 126.565 -2.390 1
1 521 . 2 1 1 A 56 56 GLY H H 56 7.517 8.841 -1.324 1
1 522 . 2 1 1 A 56 56 GLY HA2 H 56 4.252 4.128 0.124 1
1 523 . 2 1 1 A 56 56 GLY HA3 H 56 3.339 4.197 -0.858 1
1 524 . 2 1 1 A 56 56 GLY C C 56 178.583 172.833 5.750 1
1 525 . 2 1 1 A 56 56 GLY CA C 56 42.282 44.427 -2.145 1
1 526 . 2 1 1 A 56 56 GLY N N 56 110.256 110.869 -0.613 1
1 527 . 2 1 1 A 57 57 TYR H H 57 7.154 8.296 -1.142 1
1 528 . 2 1 1 A 57 57 TYR HA H 57 4.516 5.440 -0.924 1
1 535 . 2 1 1 A 57 57 TYR C C 57 170.587 175.381 -4.794 1
1 536 . 2 1 1 A 57 57 TYR CA C 57 55.130 57.384 -2.254 1
1 537 . 2 1 1 A 57 57 TYR CB C 57 36.127 39.957 -3.830 1
1 538 . 2 1 1 A 57 57 TYR N N 57 113.618 117.730 -4.112 1
1 539 . 2 1 1 A 58 58 GLY H H 58 8.498 8.617 -0.119 1
1 540 . 2 1 1 A 58 58 GLY HA2 H 58 3.946 4.248 -0.302 1
1 541 . 2 1 1 A 58 58 GLY HA3 H 58 3.420 4.252 -0.832 1
1 542 . 2 1 1 A 58 58 GLY C C 58 175.193 171.835 3.358 1
1 543 . 2 1 1 A 58 58 GLY CA C 58 43.806 46.153 -2.347 1
1 544 . 2 1 1 A 58 58 GLY N N 58 109.549 107.228 2.321 1
1 545 . 2 1 1 A 59 59 THR H H 59 8.301 8.560 -0.259 1
1 546 . 2 1 1 A 59 59 THR HA H 59 4.277 4.113 0.164 1
1 547 . 2 1 1 A 59 59 THR C C 59 172.318 175.041 -2.723 1
1 548 . 2 1 1 A 59 59 THR CA C 59 60.637 63.542 -2.905 1
1 549 . 2 1 1 A 59 59 THR CB C 59 67.412 68.870 -1.458 1
1 550 . 2 1 1 A 59 59 THR N N 59 111.031 116.448 -5.417 1
1 551 . 2 1 1 A 60 60 ASP H H 60 8.414 8.975 -0.561 1
1 552 . 2 1 1 A 60 60 ASP HA H 60 4.679 4.309 0.370 1
1 555 . 2 1 1 A 60 60 ASP C C 60 173.345 175.692 -2.347 1
1 556 . 2 1 1 A 60 60 ASP CA C 60 51.030 55.347 -4.317 1
1 557 . 2 1 1 A 60 60 ASP CB C 60 38.608 39.207 -0.599 1
1 558 . 2 1 1 A 60 60 ASP N N 60 120.007 122.435 -2.428 1
1 559 . 2 1 1 A 61 61 GLY H H 61 7.967 7.752 0.215 1
1 560 . 2 1 1 A 61 61 GLY HA2 H 61 3.550 4.116 -0.566 1
1 561 . 2 1 1 A 61 61 GLY HA3 H 61 2.879 4.153 -1.274 1
1 562 . 2 1 1 A 61 61 GLY C C 61 175.339 173.877 1.462 1
1 563 . 2 1 1 A 61 61 GLY CA C 61 44.956 44.721 0.235 1
1 564 . 2 1 1 A 61 61 GLY N N 61 108.692 107.017 1.675 1
1 565 . 2 1 1 A 62 62 ASN H H 62 8.507 8.625 -0.118 1
1 566 . 2 1 1 A 62 62 ASN HA H 62 4.455 5.245 -0.790 1
1 571 . 2 1 1 A 62 62 ASN C C 62 172.217 175.010 -2.793 1
1 572 . 2 1 1 A 62 62 ASN CA C 62 48.627 52.864 -4.237 1
1 573 . 2 1 1 A 62 62 ASN CB C 62 34.339 39.715 -5.376 1
1 574 . 2 1 1 A 62 62 ASN N N 62 120.625 118.623 2.002 1
1 576 . 2 1 1 A 63 63 TYR H H 63 6.994 8.151 -1.157 1
1 577 . 2 1 1 A 63 63 TYR HA H 63 4.477 5.005 -0.528 1
1 580 . 2 1 1 A 63 63 TYR C C 63 172.042 173.899 -1.857 1
1 581 . 2 1 1 A 63 63 TYR CA C 63 56.210 58.682 -2.472 1
1 582 . 2 1 1 A 63 63 TYR CB C 63 36.755 40.957 -4.202 1
1 583 . 2 1 1 A 63 63 TYR N N 63 116.333 117.002 -0.669 1
1 584 . 2 1 1 A 64 64 VAL H H 64 8.841 8.730 0.111 1
1 585 . 2 1 1 A 64 64 VAL HA H 64 3.689 3.845 -0.156 1
1 593 . 2 1 1 A 64 64 VAL C C 64 175.531 174.679 0.852 1
1 594 . 2 1 1 A 64 64 VAL CA C 64 61.550 62.439 -0.889 1
1 595 . 2 1 1 A 64 64 VAL CB C 64 30.583 31.957 -1.374 1
1 598 . 2 1 1 A 64 64 VAL N N 64 123.889 127.155 -3.266 1
1 599 . 2 1 1 A 65 65 THR H H 65 8.850 8.958 -0.108 1
1 600 . 2 1 1 A 65 65 THR HA H 65 4.210 4.178 0.032 1
1 605 . 2 1 1 A 65 65 THR C C 65 175.388 173.557 1.831 1
1 606 . 2 1 1 A 65 65 THR CA C 65 60.109 61.121 -1.012 1
1 607 . 2 1 1 A 65 65 THR CB C 65 66.710 70.311 -3.601 1
1 609 . 2 1 1 A 65 65 THR N N 65 119.739 121.233 -1.494 1
1 610 . 2 1 1 A 66 66 GLY H H 66 6.907 7.415 -0.508 1
1 611 . 2 1 1 A 66 66 GLY HA2 H 66 3.769 4.094 -0.325 1
1 612 . 2 1 1 A 66 66 GLY HA3 H 66 3.583 4.119 -0.536 1
1 613 . 2 1 1 A 66 66 GLY C C 66 173.131 171.658 1.473 1
1 614 . 2 1 1 A 66 66 GLY CA C 66 42.950 45.490 -2.540 1
1 615 . 2 1 1 A 66 66 GLY N N 66 108.712 109.424 -0.712 1
1 616 . 2 1 1 A 67 67 LEU H H 67 7.723 8.707 -0.984 1
1 617 . 2 1 1 A 67 67 LEU HA H 67 4.628 5.051 -0.423 1
1 626 . 2 1 1 A 67 67 LEU C C 67 167.522 176.232 -8.710 1
1 627 . 2 1 1 A 67 67 LEU CA C 67 51.200 54.283 -3.083 1
1 628 . 2 1 1 A 67 67 LEU CB C 67 42.747 42.718 0.029 1
1 631 . 2 1 1 A 67 67 LEU N N 67 118.448 126.834 -8.386 1
1 632 . 2 1 1 A 68 68 HIS H H 68 8.003 9.824 -1.821 1
1 633 . 2 1 1 A 68 68 HIS HA H 68 4.890 5.164 -0.274 1
1 637 . 2 1 1 A 68 68 HIS C C 68 174.161 174.135 0.026 1
1 638 . 2 1 1 A 68 68 HIS CA C 68 52.180 53.826 -1.646 1
1 639 . 2 1 1 A 68 68 HIS CB C 68 31.877 32.915 -1.038 1
1 640 . 2 1 1 A 68 68 HIS N N 68 116.650 122.233 -5.583 1
1 641 . 2 1 1 A 69 69 THR H H 69 8.515 8.748 -0.233 1
1 642 . 2 1 1 A 69 69 THR HA H 69 4.808 4.442 0.366 1
1 647 . 2 1 1 A 69 69 THR C C 69 172.511 174.120 -1.609 1
1 648 . 2 1 1 A 69 69 THR CA C 69 60.130 63.035 -2.905 1
1 649 . 2 1 1 A 69 69 THR CB C 69 67.840 69.001 -1.161 1
1 651 . 2 1 1 A 69 69 THR N N 69 114.721 117.696 -2.975 1
1 652 . 2 1 1 A 70 70 CYS H H 70 7.731 9.584 -1.853 1
1 653 . 2 1 1 A 70 70 CYS HA H 70 4.786 5.012 -0.226 1
1 656 . 2 1 1 A 70 70 CYS C C 70 172.053 172.951 -0.898 1
1 657 . 2 1 1 A 70 70 CYS CA C 70 51.950 55.219 -3.269 1
1 658 . 2 1 1 A 70 70 CYS CB C 70 43.320 44.351 -1.031 1
1 659 . 2 1 1 A 70 70 CYS N N 70 117.575 126.277 -8.702 1
1 660 . 2 1 1 A 71 71 ASP H H 71 8.370 8.644 -0.274 1
1 661 . 2 1 1 A 71 71 ASP HA H 71 4.993 5.202 -0.209 1
1 664 . 2 1 1 A 71 71 ASP C C 71 169.692 175.364 -5.672 1
1 665 . 2 1 1 A 71 71 ASP CA C 71 48.815 51.873 -3.058 1
1 666 . 2 1 1 A 71 71 ASP CB C 71 40.118 41.603 -1.485 1
1 667 . 2 1 1 A 71 71 ASP N N 71 120.975 123.088 -2.113 1
1 668 . 2 1 1 A 72 72 PRO HA H 72 4.145 4.444 -0.299 1
1 675 . 2 1 1 A 72 72 PRO CA C 72 61.360 62.650 -1.290 1
1 676 . 2 1 1 A 72 72 PRO CB C 72 30.141 30.619 -0.478 1
1 679 . 2 1 1 A 73 73 ALA H H 73 8.169 8.197 -0.028 1
1 680 . 2 1 1 A 73 73 ALA HA H 73 4.247 4.683 -0.436 1
1 684 . 2 1 1 A 73 73 ALA C C 73 174.353 175.836 -1.483 1
1 685 . 2 1 1 A 73 73 ALA CA C 73 50.370 52.035 -1.665 1
1 686 . 2 1 1 A 73 73 ALA CB C 73 17.230 19.928 -2.698 1
1 687 . 2 1 1 A 73 73 ALA N N 73 122.390 124.928 -2.538 1
1 688 . 2 1 1 A 74 74 THR H H 74 7.704 8.801 -1.097 1
1 689 . 2 1 1 A 74 74 THR C C 74 175.770 174.160 1.610 1
1 690 . 2 1 1 A 74 74 THR CA C 74 57.794 60.185 -2.391 1
1 691 . 2 1 1 A 74 74 THR CB C 74 67.994 69.161 -1.167 1
1 692 . 2 1 1 A 74 74 THR N N 74 114.834 119.757 -4.923 1
1 693 . 2 1 1 A 75 75 PRO HA H 75 4.386 4.686 -0.300 1
1 700 . 2 1 1 A 75 75 PRO CA C 75 61.440 62.752 -1.312 1
1 701 . 2 1 1 A 75 75 PRO CB C 75 30.088 29.355 0.733 1
1 704 . 2 1 1 A 76 76 SER H H 76 8.209 8.703 -0.494 1
1 705 . 2 1 1 A 76 76 SER HA H 76 4.373 4.812 -0.439 1
1 708 . 2 1 1 A 76 76 SER C C 76 175.051 173.718 1.333 1
1 709 . 2 1 1 A 76 76 SER CA C 76 56.360 57.394 -1.034 1
1 710 . 2 1 1 A 76 76 SER CB C 76 61.939 62.642 -0.703 1
1 711 . 2 1 1 A 76 76 SER N N 76 115.319 114.648 0.671 1
1 712 . 2 1 1 A 77 77 GLY H H 77 8.124 8.365 -0.241 1
1 713 . 2 1 1 A 77 77 GLY HA2 H 77 4.093 4.230 -0.137 1
1 714 . 2 1 1 A 77 77 GLY HA3 H 77 3.577 4.235 -0.658 1
1 715 . 2 1 1 A 77 77 GLY C C 77 173.087 172.453 0.634 1
1 716 . 2 1 1 A 77 77 GLY CA C 77 43.555 44.594 -1.039 1
1 717 . 2 1 1 A 77 77 GLY N N 77 110.791 111.840 -1.049 1
1 3 . 3 1 1 A 1 1 ALA HA H 5 4.015 4.363 -0.348 1
1 7 . 3 1 1 A 2 2 THR H H 6 7.608 7.404 0.204 1
1 8 . 3 1 1 A 2 2 THR C C 2 174.815 174.082 0.733 1
1 9 . 3 1 1 A 2 2 THR CA C 2 56.801 63.398 -6.597 1
1 10 . 3 1 1 A 2 2 THR CB C 2 68.857 71.237 -2.380 1
1 11 . 3 1 1 A 2 2 THR N N 6 113.279 112.042 1.237 1
1 12 . 3 1 1 A 5 5 PRO HA H 5 4.493 4.363 0.130 1
1 19 . 3 1 1 A 5 5 PRO CA C 5 61.290 64.220 -2.930 1
1 20 . 3 1 1 A 5 5 PRO CB C 5 30.190 32.120 -1.930 1
1 23 . 3 1 1 A 6 6 VAL H H 6 7.794 7.404 0.390 1
1 24 . 3 1 1 A 6 6 VAL HA H 6 3.880 4.384 -0.504 1
1 32 . 3 1 1 A 6 6 VAL C C 6 175.059 175.781 -0.722 1
1 33 . 3 1 1 A 6 6 VAL CA C 6 59.560 60.065 -0.505 1
1 34 . 3 1 1 A 6 6 VAL CB C 6 30.680 32.843 -2.163 1
1 37 . 3 1 1 A 6 6 VAL N N 6 118.616 112.042 6.574 1
1 38 . 3 1 1 A 7 7 ALA H H 7 8.029 8.475 -0.446 1
1 39 . 3 1 1 A 7 7 ALA HA H 7 4.167 4.168 -0.001 1
1 43 . 3 1 1 A 7 7 ALA C C 7 173.395 177.935 -4.540 1
1 44 . 3 1 1 A 7 7 ALA CA C 7 50.780 52.355 -1.575 1
1 45 . 3 1 1 A 7 7 ALA CB C 7 18.292 19.162 -0.870 1
1 46 . 3 1 1 A 7 7 ALA N N 7 126.653 123.259 3.394 1
1 47 . 3 1 1 A 8 8 GLU H H 8 8.587 7.929 0.658 1
1 48 . 3 1 1 A 8 8 GLU HA H 8 4.085 3.741 0.344 1
1 53 . 3 1 1 A 8 8 GLU C C 8 176.717 176.679 0.038 1
1 54 . 3 1 1 A 8 8 GLU CA C 8 56.520 58.660 -2.140 1
1 55 . 3 1 1 A 8 8 GLU CB C 8 27.393 27.116 0.277 1
1 57 . 3 1 1 A 8 8 GLU N N 8 118.049 112.113 5.936 1
1 58 . 3 1 1 A 9 9 CYS H H 9 7.348 8.229 -0.881 1
1 59 . 3 1 1 A 9 9 CYS HA H 9 4.422 4.580 -0.158 1
1 62 . 3 1 1 A 9 9 CYS C C 9 173.399 173.658 -0.259 1
1 63 . 3 1 1 A 9 9 CYS CA C 9 51.850 57.649 -5.799 1
1 64 . 3 1 1 A 9 9 CYS CB C 9 38.617 42.638 -4.021 1
1 65 . 3 1 1 A 9 9 CYS N N 9 109.798 117.201 -7.403 1
1 66 . 3 1 1 A 10 10 VAL H H 10 7.682 7.386 0.296 1
1 67 . 3 1 1 A 10 10 VAL HA H 10 4.483 4.669 -0.186 1
1 75 . 3 1 1 A 10 10 VAL C C 10 172.261 174.849 -2.588 1
1 76 . 3 1 1 A 10 10 VAL CA C 10 60.360 60.852 -0.492 1
1 77 . 3 1 1 A 10 10 VAL CB C 10 29.445 33.559 -4.114 1
1 80 . 3 1 1 A 10 10 VAL N N 10 125.088 119.224 5.864 1
1 81 . 3 1 1 A 11 11 GLU H H 11 8.322 8.649 -0.327 1
1 82 . 3 1 1 A 11 11 GLU HA H 11 4.644 4.569 0.075 1
1 87 . 3 1 1 A 11 11 GLU C C 11 172.004 174.453 -2.449 1
1 88 . 3 1 1 A 11 11 GLU CA C 11 51.852 54.566 -2.714 1
1 89 . 3 1 1 A 11 11 GLU CB C 11 31.925 33.276 -1.351 1
1 91 . 3 1 1 A 11 11 GLU N N 11 124.099 126.451 -2.352 1
1 92 . 3 1 1 A 12 12 TYR H H 12 7.843 8.325 -0.482 1
1 93 . 3 1 1 A 12 12 TYR HA H 12 5.697 6.194 -0.497 1
1 100 . 3 1 1 A 12 12 TYR C C 12 172.281 174.001 -1.720 1
1 101 . 3 1 1 A 12 12 TYR CA C 12 53.160 55.656 -2.496 1
1 102 . 3 1 1 A 12 12 TYR CB C 12 40.610 41.541 -0.931 1
1 103 . 3 1 1 A 12 12 TYR N N 12 115.283 124.534 -9.251 1
1 104 . 3 1 1 A 13 13 PHE H H 13 9.057 8.893 0.164 1
1 105 . 3 1 1 A 13 13 PHE HA H 13 4.750 5.179 -0.429 1
1 106 . 3 1 1 A 13 13 PHE C C 13 170.766 173.509 -2.743 1
1 107 . 3 1 1 A 13 13 PHE CA C 13 54.815 57.194 -2.379 1
1 108 . 3 1 1 A 13 13 PHE CB C 13 39.947 43.161 -3.214 1
1 109 . 3 1 1 A 13 13 PHE N N 13 119.347 120.278 -0.931 1
1 110 . 3 1 1 A 14 14 GLN HA H 14 5.302 4.727 0.575 1
1 113 . 3 1 1 A 14 14 GLN CA C 14 53.700 54.698 -0.998 1
1 114 . 3 1 1 A 14 14 GLN CB C 14 30.685 29.789 0.896 1
1 115 . 3 1 1 A 15 15 SER H H 15 8.657 9.194 -0.537 1
1 116 . 3 1 1 A 15 15 SER HA H 15 4.715 4.872 -0.157 1
1 117 . 3 1 1 A 15 15 SER C C 15 172.296 173.617 -1.321 1
1 118 . 3 1 1 A 15 15 SER CA C 15 54.708 57.467 -2.759 1
1 119 . 3 1 1 A 15 15 SER CB C 15 64.456 65.385 -0.929 1
1 120 . 3 1 1 A 15 15 SER N N 15 119.667 120.814 -1.147 1
1 121 . 3 1 1 A 17 17 ARG HA H 17 3.413 3.746 -0.333 1
1 124 . 3 1 1 A 17 17 ARG CA C 17 55.648 57.245 -1.597 1
1 125 . 3 1 1 A 17 17 ARG CB C 17 29.496 26.866 2.630 1
1 126 . 3 1 1 A 18 18 TYR H H 18 6.870 7.613 -0.743 1
1 127 . 3 1 1 A 18 18 TYR HA H 18 5.233 4.932 0.301 1
1 134 . 3 1 1 A 18 18 TYR C C 18 174.107 174.431 -0.324 1
1 135 . 3 1 1 A 18 18 TYR CA C 18 54.231 57.905 -3.674 1
1 136 . 3 1 1 A 18 18 TYR CB C 18 40.725 40.586 0.139 1
1 137 . 3 1 1 A 18 18 TYR N N 18 114.525 119.301 -4.776 1
1 138 . 3 1 1 A 19 19 THR H H 19 8.684 9.092 -0.408 1
1 139 . 3 1 1 A 19 19 THR HA H 19 5.061 5.149 -0.088 1
1 144 . 3 1 1 A 19 19 THR C C 19 173.054 173.331 -0.277 1
1 145 . 3 1 1 A 19 19 THR CA C 19 60.704 62.476 -1.772 1
1 146 . 3 1 1 A 19 19 THR CB C 19 67.997 68.457 -0.460 1
1 148 . 3 1 1 A 19 19 THR N N 19 119.368 123.483 -4.115 1
1 149 . 3 1 1 A 20 20 ASP H H 20 8.975 8.756 0.219 1
1 150 . 3 1 1 A 20 20 ASP HA H 20 5.690 4.740 0.950 1
1 153 . 3 1 1 A 20 20 ASP C C 20 171.832 174.742 -2.910 1
1 154 . 3 1 1 A 20 20 ASP CA C 20 52.039 52.831 -0.792 1
1 155 . 3 1 1 A 20 20 ASP CB C 20 42.292 40.578 1.714 1
1 156 . 3 1 1 A 20 20 ASP N N 20 128.307 126.716 1.591 1
1 157 . 3 1 1 A 21 21 VAL H H 21 9.496 8.323 1.173 1
1 158 . 3 1 1 A 21 21 VAL HA H 21 4.775 4.794 -0.019 1
1 166 . 3 1 1 A 21 21 VAL C C 21 173.611 174.571 -0.960 1
1 167 . 3 1 1 A 21 21 VAL CA C 21 59.478 60.692 -1.214 1
1 168 . 3 1 1 A 21 21 VAL CB C 21 32.243 33.253 -1.010 1
1 171 . 3 1 1 A 21 21 VAL N N 21 123.356 124.960 -1.604 1
1 172 . 3 1 1 A 22 22 HIS H H 22 8.973 8.537 0.436 1
1 173 . 3 1 1 A 22 22 HIS HA H 22 4.622 5.895 -1.273 1
1 177 . 3 1 1 A 22 22 HIS C C 22 171.626 173.824 -2.198 1
1 178 . 3 1 1 A 22 22 HIS CA C 22 49.980 54.483 -4.503 1
1 179 . 3 1 1 A 22 22 HIS CB C 22 28.390 31.530 -3.140 1
1 180 . 3 1 1 A 22 22 HIS N N 22 124.534 126.832 -2.298 1
1 181 . 3 1 1 A 23 23 ASN H H 23 8.317 9.052 -0.735 1
1 182 . 3 1 1 A 23 23 ASN HA H 23 4.517 4.801 -0.284 1
1 185 . 3 1 1 A 23 23 ASN C C 23 171.836 176.048 -4.212 1
1 186 . 3 1 1 A 23 23 ASN CA C 23 49.380 53.390 -4.010 1
1 187 . 3 1 1 A 23 23 ASN CB C 23 36.018 40.059 -4.041 1
1 188 . 3 1 1 A 23 23 ASN N N 23 123.095 124.247 -1.152 1
1 189 . 3 1 1 A 24 24 GLY H H 24 7.602 8.603 -1.001 1
1 190 . 3 1 1 A 24 24 GLY HA2 H 24 4.051 4.242 -0.191 1
1 191 . 3 1 1 A 24 24 GLY HA3 H 24 3.381 4.244 -0.863 1
1 192 . 3 1 1 A 24 24 GLY C C 24 171.684 175.136 -3.452 1
1 193 . 3 1 1 A 24 24 GLY CA C 24 42.936 45.763 -2.827 1
1 194 . 3 1 1 A 24 24 GLY N N 24 113.217 109.531 3.686 1
1 195 . 3 1 1 A 25 25 CYS H H 25 8.145 7.917 0.228 1
1 196 . 3 1 1 A 25 25 CYS HA H 25 4.544 4.704 -0.160 1
1 199 . 3 1 1 A 25 25 CYS C C 25 172.305 173.573 -1.268 1
1 200 . 3 1 1 A 25 25 CYS CA C 25 50.790 56.857 -6.067 1
1 201 . 3 1 1 A 25 25 CYS CB C 25 39.528 42.880 -3.352 1
1 202 . 3 1 1 A 25 25 CYS N N 25 119.843 118.500 1.343 1
1 203 . 3 1 1 A 26 26 ALA H H 26 8.111 7.933 0.178 1
1 204 . 3 1 1 A 26 26 ALA HA H 26 4.084 4.012 0.072 1
1 208 . 3 1 1 A 26 26 ALA C C 26 172.481 175.457 -2.976 1
1 209 . 3 1 1 A 26 26 ALA CA C 26 50.950 54.248 -3.298 1
1 210 . 3 1 1 A 26 26 ALA CB C 26 17.251 18.078 -0.827 1
1 211 . 3 1 1 A 26 26 ALA N N 26 119.852 122.001 -2.149 1
1 212 . 3 1 1 A 27 27 ASP H H 27 6.938 7.684 -0.746 1
1 213 . 3 1 1 A 27 27 ASP HA H 27 4.787 5.231 -0.444 1
1 216 . 3 1 1 A 27 27 ASP C C 27 174.263 174.579 -0.316 1
1 217 . 3 1 1 A 27 27 ASP CA C 27 49.550 52.203 -2.653 1
1 218 . 3 1 1 A 27 27 ASP CB C 27 42.250 44.034 -1.784 1
1 219 . 3 1 1 A 27 27 ASP N N 27 113.761 116.108 -2.347 1
1 220 . 3 1 1 A 28 28 ALA H H 28 8.454 8.373 0.081 1
1 221 . 3 1 1 A 28 28 ALA HA H 28 3.986 4.956 -0.970 1
1 225 . 3 1 1 A 28 28 ALA C C 28 173.188 177.595 -4.407 1
1 226 . 3 1 1 A 28 28 ALA CA C 28 50.550 52.162 -1.612 1
1 227 . 3 1 1 A 28 28 ALA CB C 28 16.820 18.988 -2.168 1
1 228 . 3 1 1 A 28 28 ALA N N 28 121.635 123.306 -1.671 1
1 229 . 3 1 1 A 29 29 VAL H H 29 7.742 8.877 -1.135 1
1 230 . 3 1 1 A 29 29 VAL HA H 29 4.553 4.845 -0.292 1
1 238 . 3 1 1 A 29 29 VAL C C 29 174.826 174.276 0.550 1
1 239 . 3 1 1 A 29 29 VAL CA C 29 57.140 59.387 -2.247 1
1 240 . 3 1 1 A 29 29 VAL CB C 29 33.000 35.095 -2.095 1
1 243 . 3 1 1 A 29 29 VAL N N 29 113.732 118.553 -4.821 1
1 244 . 3 1 1 A 30 30 SER H H 30 8.101 8.846 -0.745 1
1 245 . 3 1 1 A 30 30 SER HA H 30 5.338 4.891 0.447 1
1 248 . 3 1 1 A 30 30 SER C C 30 171.613 174.368 -2.755 1
1 249 . 3 1 1 A 30 30 SER CA C 30 54.310 58.226 -3.916 1
1 250 . 3 1 1 A 30 30 SER CB C 30 62.237 63.912 -1.675 1
1 251 . 3 1 1 A 30 30 SER N N 30 118.729 121.209 -2.480 1
1 252 . 3 1 1 A 31 31 VAL H H 31 8.780 9.687 -0.907 1
1 253 . 3 1 1 A 31 31 VAL HA H 31 5.146 5.076 0.070 1
1 261 . 3 1 1 A 31 31 VAL C C 31 172.831 174.146 -1.315 1
1 262 . 3 1 1 A 31 31 VAL CA C 31 56.940 59.580 -2.640 1
1 263 . 3 1 1 A 31 31 VAL CB C 31 35.030 34.828 0.202 1
1 266 . 3 1 1 A 31 31 VAL N N 31 119.018 120.643 -1.625 1
1 267 . 3 1 1 A 32 32 THR H H 32 8.366 9.026 -0.660 1
1 268 . 3 1 1 A 32 32 THR HA H 32 4.498 4.767 -0.269 1
1 273 . 3 1 1 A 32 32 THR C C 32 171.480 172.556 -1.076 1
1 274 . 3 1 1 A 32 32 THR CA C 32 57.100 60.110 -3.010 1
1 275 . 3 1 1 A 32 32 THR CB C 32 67.767 70.904 -3.137 1
1 277 . 3 1 1 A 32 32 THR N N 32 115.885 117.113 -1.228 1
1 278 . 3 1 1 A 33 33 VAL H H 33 6.720 8.424 -1.704 1
1 279 . 3 1 1 A 33 33 VAL HA H 33 3.950 4.917 -0.967 1
1 287 . 3 1 1 A 33 33 VAL C C 33 169.808 173.307 -3.499 1
1 288 . 3 1 1 A 33 33 VAL CA C 33 57.990 58.743 -0.753 1
1 289 . 3 1 1 A 33 33 VAL CB C 33 32.331 34.824 -2.493 1
1 292 . 3 1 1 A 33 33 VAL N N 33 119.716 120.009 -0.293 1
1 293 . 3 1 1 A 34 34 GLU H H 34 7.670 8.956 -1.286 1
1 294 . 3 1 1 A 34 34 GLU HA H 34 4.187 4.656 -0.469 1
1 297 . 3 1 1 A 34 34 GLU C C 34 171.032 174.919 -3.887 1
1 298 . 3 1 1 A 34 34 GLU CA C 34 51.930 54.213 -2.283 1
1 299 . 3 1 1 A 34 34 GLU CB C 34 29.430 31.350 -1.920 1
1 300 . 3 1 1 A 34 34 GLU N N 34 123.182 123.244 -0.062 1
1 301 . 3 1 1 A 35 35 TYR H H 35 8.500 8.793 -0.293 1
1 302 . 3 1 1 A 35 35 TYR HA H 35 4.646 4.983 -0.337 1
1 309 . 3 1 1 A 35 35 TYR C C 35 172.817 177.331 -4.514 1
1 310 . 3 1 1 A 35 35 TYR CA C 35 55.880 58.054 -2.174 1
1 311 . 3 1 1 A 35 35 TYR CB C 35 38.300 40.250 -1.950 1
1 312 . 3 1 1 A 35 35 TYR N N 35 122.953 125.830 -2.877 1
1 313 . 3 1 1 A 36 36 THR H H 36 8.295 9.251 -0.956 1
1 314 . 3 1 1 A 36 36 THR HA H 36 3.731 3.936 -0.205 1
1 319 . 3 1 1 A 36 36 THR C C 36 175.873 175.534 0.339 1
1 320 . 3 1 1 A 36 36 THR CA C 36 65.169 66.675 -1.506 1
1 321 . 3 1 1 A 36 36 THR CB C 36 67.700 68.777 -1.077 1
1 323 . 3 1 1 A 36 36 THR N N 36 119.739 117.622 2.117 1
1 324 . 3 1 1 A 37 37 HIS H H 37 8.755 7.807 0.948 1
1 325 . 3 1 1 A 37 37 HIS HA H 37 4.807 4.596 0.211 1
1 329 . 3 1 1 A 37 37 HIS C C 37 173.381 176.152 -2.771 1
1 330 . 3 1 1 A 37 37 HIS CA C 37 53.412 58.178 -4.766 1
1 331 . 3 1 1 A 37 37 HIS CB C 37 27.137 30.719 -3.582 1
1 332 . 3 1 1 A 37 37 HIS N N 37 115.916 116.203 -0.287 1
1 333 . 3 1 1 A 38 38 GLY H H 38 7.856 7.890 -0.034 1
1 334 . 3 1 1 A 38 38 GLY HA2 H 38 4.091 4.118 -0.027 1
1 335 . 3 1 1 A 38 38 GLY HA3 H 38 3.795 4.159 -0.364 1
1 336 . 3 1 1 A 38 38 GLY C C 38 174.479 174.580 -0.101 1
1 337 . 3 1 1 A 38 38 GLY CA C 38 43.935 45.315 -1.380 1
1 338 . 3 1 1 A 38 38 GLY N N 38 106.387 104.240 2.147 1
1 339 . 3 1 1 A 39 39 GLN H H 39 8.096 7.584 0.512 1
1 340 . 3 1 1 A 39 39 GLN HA H 39 4.239 4.256 -0.017 1
1 345 . 3 1 1 A 39 39 GLN C C 39 171.748 175.304 -3.556 1
1 346 . 3 1 1 A 39 39 GLN CA C 39 55.050 56.027 -0.977 1
1 347 . 3 1 1 A 39 39 GLN CB C 39 26.580 28.545 -1.965 1
1 349 . 3 1 1 A 39 39 GLN N N 39 119.846 120.772 -0.926 1
1 350 . 3 1 1 A 40 40 TRP H H 40 8.286 8.691 -0.405 1
1 351 . 3 1 1 A 40 40 TRP HA H 40 4.961 4.760 0.201 1
1 358 . 3 1 1 A 40 40 TRP C C 40 172.966 176.289 -3.323 1
1 359 . 3 1 1 A 40 40 TRP CA C 40 55.210 56.806 -1.596 1
1 360 . 3 1 1 A 40 40 TRP CB C 40 28.161 29.059 -0.898 1
1 361 . 3 1 1 A 40 40 TRP N N 40 121.182 128.160 -6.978 1
1 363 . 3 1 1 A 41 41 ALA H H 41 7.947 8.048 -0.101 1
1 364 . 3 1 1 A 41 41 ALA HA H 41 4.641 4.494 0.147 1
1 368 . 3 1 1 A 41 41 ALA C C 41 174.070 176.036 -1.966 1
1 369 . 3 1 1 A 41 41 ALA CA C 41 47.995 51.029 -3.034 1
1 370 . 3 1 1 A 41 41 ALA CB C 41 18.627 20.272 -1.645 1
1 371 . 3 1 1 A 41 41 ALA N N 41 126.752 130.132 -3.380 1
1 372 . 3 1 1 A 42 42 PRO HA H 42 4.240 4.307 -0.067 1
1 377 . 3 1 1 A 42 42 PRO CA C 42 60.853 62.471 -1.618 1
1 378 . 3 1 1 A 42 42 PRO CB C 42 30.203 29.070 1.133 1
1 379 . 3 1 1 A 43 43 CYS H H 43 8.229 7.583 0.646 1
1 380 . 3 1 1 A 43 43 CYS HA H 43 4.643 5.211 -0.568 1
1 383 . 3 1 1 A 43 43 CYS C C 43 173.099 171.652 1.447 1
1 384 . 3 1 1 A 43 43 CYS CA C 43 53.574 56.534 -2.960 1
1 385 . 3 1 1 A 43 43 CYS CB C 43 39.464 45.440 -5.976 1
1 386 . 3 1 1 A 43 43 CYS N N 43 119.646 120.060 -0.414 1
1 387 . 3 1 1 A 44 44 ARG H H 44 8.931 9.520 -0.589 1
1 388 . 3 1 1 A 44 44 ARG HA H 44 4.653 4.775 -0.122 1
1 395 . 3 1 1 A 44 44 ARG C C 44 172.821 174.381 -1.560 1
1 396 . 3 1 1 A 44 44 ARG CA C 44 51.850 55.118 -3.268 1
1 397 . 3 1 1 A 44 44 ARG CB C 44 30.892 34.070 -3.178 1
1 400 . 3 1 1 A 44 44 ARG N N 44 128.546 124.268 4.278 1
1 401 . 3 1 1 A 45 45 VAL H H 45 8.242 8.708 -0.466 1
1 402 . 3 1 1 A 45 45 VAL HA H 45 4.625 4.517 0.108 1
1 410 . 3 1 1 A 45 45 VAL C C 45 172.339 175.008 -2.669 1
1 411 . 3 1 1 A 45 45 VAL CA C 45 59.800 62.099 -2.299 1
1 412 . 3 1 1 A 45 45 VAL CB C 45 29.914 33.210 -3.296 1
1 415 . 3 1 1 A 45 45 VAL N N 45 123.347 125.500 -2.153 1
1 416 . 3 1 1 A 46 46 ILE H H 46 9.161 9.331 -0.170 1
1 417 . 3 1 1 A 46 46 ILE HA H 46 4.241 4.675 -0.434 1
1 427 . 3 1 1 A 46 46 ILE C C 46 174.656 175.710 -1.054 1
1 428 . 3 1 1 A 46 46 ILE CA C 46 58.660 59.874 -1.214 1
1 429 . 3 1 1 A 46 46 ILE CB C 46 37.551 39.739 -2.188 1
1 432 . 3 1 1 A 46 46 ILE N N 46 128.086 128.495 -0.409 1
1 433 . 3 1 1 A 47 47 GLU H H 47 9.214 8.575 0.639 1
1 434 . 3 1 1 A 47 47 GLU HA H 47 4.182 4.747 -0.565 1
1 439 . 3 1 1 A 47 47 GLU C C 47 174.413 174.675 -0.262 1
1 440 . 3 1 1 A 47 47 GLU CA C 47 53.820 54.349 -0.529 1
1 441 . 3 1 1 A 47 47 GLU CB C 47 25.600 29.250 -3.650 1
1 443 . 3 1 1 A 47 47 GLU N N 47 129.614 126.437 3.177 1
1 444 . 3 1 1 A 48 48 PRO HA H 48 3.872 4.300 -0.428 1
1 451 . 3 1 1 A 48 48 PRO CA C 48 62.770 63.880 -1.110 1
1 452 . 3 1 1 A 48 48 PRO CB C 48 29.241 31.374 -2.133 1
1 455 . 3 1 1 A 49 49 GLY H H 49 8.330 8.873 -0.543 1
1 456 . 3 1 1 A 49 49 GLY HA2 H 49 4.140 4.003 0.137 1
1 457 . 3 1 1 A 49 49 GLY HA3 H 49 3.702 4.045 -0.343 1
1 458 . 3 1 1 A 49 49 GLY C C 49 176.101 174.585 1.516 1
1 459 . 3 1 1 A 49 49 GLY CA C 49 43.930 45.473 -1.543 1
1 460 . 3 1 1 A 49 49 GLY N N 49 115.617 113.119 2.498 1
1 461 . 3 1 1 A 50 50 GLY H H 50 8.496 8.680 -0.184 1
1 462 . 3 1 1 A 50 50 GLY HA2 H 50 4.374 4.104 0.270 1
1 463 . 3 1 1 A 50 50 GLY HA3 H 50 3.614 4.128 -0.514 1
1 464 . 3 1 1 A 50 50 GLY C C 50 172.758 173.672 -0.914 1
1 465 . 3 1 1 A 50 50 GLY CA C 50 42.550 44.306 -1.756 1
1 466 . 3 1 1 A 50 50 GLY N N 50 108.129 108.260 -0.131 1
1 467 . 3 1 1 A 51 51 TRP H H 51 8.184 8.766 -0.582 1
1 468 . 3 1 1 A 51 51 TRP HA H 51 5.778 6.474 -0.696 1
1 475 . 3 1 1 A 51 51 TRP C C 51 170.134 175.504 -5.370 1
1 476 . 3 1 1 A 51 51 TRP CA C 51 53.820 55.895 -2.075 1
1 477 . 3 1 1 A 51 51 TRP CB C 51 30.930 33.837 -2.907 1
1 478 . 3 1 1 A 51 51 TRP N N 51 117.328 120.422 -3.094 1
1 480 . 3 1 1 A 52 52 ALA H H 52 9.354 8.996 0.358 1
1 481 . 3 1 1 A 52 52 ALA HA H 52 4.654 4.969 -0.315 1
1 485 . 3 1 1 A 52 52 ALA C C 52 174.350 175.306 -0.956 1
1 486 . 3 1 1 A 52 52 ALA CA C 52 49.250 50.979 -1.729 1
1 487 . 3 1 1 A 52 52 ALA CB C 52 20.971 21.647 -0.676 1
1 488 . 3 1 1 A 52 52 ALA N N 52 122.785 123.012 -0.227 1
1 489 . 3 1 1 A 53 53 THR H H 53 8.059 8.390 -0.331 1
1 490 . 3 1 1 A 53 53 THR HA H 53 5.251 4.437 0.814 1
1 495 . 3 1 1 A 53 53 THR C C 53 173.703 173.574 0.129 1
1 496 . 3 1 1 A 53 53 THR CA C 53 60.321 62.154 -1.833 1
1 497 . 3 1 1 A 53 53 THR CB C 53 69.150 69.215 -0.065 1
1 499 . 3 1 1 A 53 53 THR N N 53 115.813 118.454 -2.641 1
1 500 . 3 1 1 A 54 54 PHE H H 54 9.370 8.720 0.650 1
1 501 . 3 1 1 A 54 54 PHE HA H 54 4.827 4.937 -0.110 1
1 508 . 3 1 1 A 54 54 PHE C C 54 171.593 175.052 -3.459 1
1 509 . 3 1 1 A 54 54 PHE CA C 54 53.813 56.353 -2.540 1
1 510 . 3 1 1 A 54 54 PHE CB C 54 40.556 43.247 -2.691 1
1 511 . 3 1 1 A 54 54 PHE N N 54 125.684 124.477 1.207 1
1 512 . 3 1 1 A 55 55 ALA H H 55 8.706 8.705 0.001 1
1 513 . 3 1 1 A 55 55 ALA HA H 55 4.362 4.375 -0.013 1
1 517 . 3 1 1 A 55 55 ALA C C 55 173.468 177.712 -4.244 1
1 518 . 3 1 1 A 55 55 ALA CA C 55 52.010 51.800 0.210 1
1 519 . 3 1 1 A 55 55 ALA CB C 55 16.740 18.604 -1.864 1
1 520 . 3 1 1 A 55 55 ALA N N 55 124.175 125.774 -1.599 1
1 521 . 3 1 1 A 56 56 GLY H H 56 7.517 8.409 -0.892 1
1 522 . 3 1 1 A 56 56 GLY HA2 H 56 4.252 4.149 0.103 1
1 523 . 3 1 1 A 56 56 GLY HA3 H 56 3.339 4.211 -0.872 1
1 524 . 3 1 1 A 56 56 GLY C C 56 178.583 174.542 4.041 1
1 525 . 3 1 1 A 56 56 GLY CA C 56 42.282 44.653 -2.371 1
1 526 . 3 1 1 A 56 56 GLY N N 56 110.256 110.718 -0.462 1
1 527 . 3 1 1 A 57 57 TYR H H 57 7.154 8.900 -1.746 1
1 528 . 3 1 1 A 57 57 TYR HA H 57 4.516 5.169 -0.653 1
1 535 . 3 1 1 A 57 57 TYR C C 57 170.587 176.513 -5.926 1
1 536 . 3 1 1 A 57 57 TYR CA C 57 55.130 57.344 -2.214 1
1 537 . 3 1 1 A 57 57 TYR CB C 57 36.127 38.449 -2.322 1
1 538 . 3 1 1 A 57 57 TYR N N 57 113.618 118.225 -4.607 1
1 539 . 3 1 1 A 58 58 GLY H H 58 8.498 8.286 0.212 1
1 540 . 3 1 1 A 58 58 GLY HA2 H 58 3.946 3.405 0.541 1
1 541 . 3 1 1 A 58 58 GLY HA3 H 58 3.420 3.524 -0.104 1
1 542 . 3 1 1 A 58 58 GLY C C 58 175.193 174.835 0.358 1
1 543 . 3 1 1 A 58 58 GLY CA C 58 43.806 46.084 -2.278 1
1 544 . 3 1 1 A 58 58 GLY N N 58 109.549 109.901 -0.352 1
1 545 . 3 1 1 A 59 59 THR H H 59 8.301 9.487 -1.186 1
1 546 . 3 1 1 A 59 59 THR HA H 59 4.277 4.052 0.225 1
1 547 . 3 1 1 A 59 59 THR C C 59 172.318 174.144 -1.826 1
1 548 . 3 1 1 A 59 59 THR CA C 59 60.637 62.804 -2.167 1
1 549 . 3 1 1 A 59 59 THR CB C 59 67.412 66.695 0.717 1
1 550 . 3 1 1 A 59 59 THR N N 59 111.031 119.265 -8.234 1
1 551 . 3 1 1 A 60 60 ASP H H 60 8.414 8.346 0.068 1
1 552 . 3 1 1 A 60 60 ASP HA H 60 4.679 4.384 0.295 1
1 555 . 3 1 1 A 60 60 ASP C C 60 173.345 175.524 -2.179 1
1 556 . 3 1 1 A 60 60 ASP CA C 60 51.030 54.928 -3.898 1
1 557 . 3 1 1 A 60 60 ASP CB C 60 38.608 39.325 -0.717 1
1 558 . 3 1 1 A 60 60 ASP N N 60 120.007 119.917 0.090 1
1 559 . 3 1 1 A 61 61 GLY H H 61 7.967 8.239 -0.272 1
1 560 . 3 1 1 A 61 61 GLY HA2 H 61 3.550 4.051 -0.501 1
1 561 . 3 1 1 A 61 61 GLY HA3 H 61 2.879 4.066 -1.187 1
1 562 . 3 1 1 A 61 61 GLY C C 61 175.339 172.673 2.666 1
1 563 . 3 1 1 A 61 61 GLY CA C 61 44.956 45.681 -0.725 1
1 564 . 3 1 1 A 61 61 GLY N N 61 108.692 108.701 -0.009 1
1 565 . 3 1 1 A 62 62 ASN H H 62 8.507 8.501 0.006 1
1 566 . 3 1 1 A 62 62 ASN HA H 62 4.455 5.277 -0.822 1
1 571 . 3 1 1 A 62 62 ASN C C 62 172.217 174.313 -2.096 1
1 572 . 3 1 1 A 62 62 ASN CA C 62 48.627 53.401 -4.774 1
1 573 . 3 1 1 A 62 62 ASN CB C 62 34.339 39.514 -5.175 1
1 574 . 3 1 1 A 62 62 ASN N N 62 120.625 121.598 -0.973 1
1 576 . 3 1 1 A 63 63 TYR H H 63 6.994 9.022 -2.028 1
1 577 . 3 1 1 A 63 63 TYR HA H 63 4.477 5.332 -0.855 1
1 580 . 3 1 1 A 63 63 TYR C C 63 172.042 174.588 -2.546 1
1 581 . 3 1 1 A 63 63 TYR CA C 63 56.210 55.528 0.682 1
1 582 . 3 1 1 A 63 63 TYR CB C 63 36.755 41.463 -4.708 1
1 583 . 3 1 1 A 63 63 TYR N N 63 116.333 124.415 -8.082 1
1 584 . 3 1 1 A 64 64 VAL H H 64 8.841 8.750 0.091 1
1 585 . 3 1 1 A 64 64 VAL HA H 64 3.689 3.707 -0.018 1
1 593 . 3 1 1 A 64 64 VAL C C 64 175.531 175.511 0.020 1
1 594 . 3 1 1 A 64 64 VAL CA C 64 61.550 62.588 -1.038 1
1 595 . 3 1 1 A 64 64 VAL CB C 64 30.583 31.647 -1.064 1
1 598 . 3 1 1 A 64 64 VAL N N 64 123.889 126.903 -3.014 1
1 599 . 3 1 1 A 65 65 THR H H 65 8.850 9.135 -0.285 1
1 600 . 3 1 1 A 65 65 THR HA H 65 4.210 4.238 -0.028 1
1 605 . 3 1 1 A 65 65 THR C C 65 175.388 175.141 0.247 1
1 606 . 3 1 1 A 65 65 THR CA C 65 60.109 61.617 -1.508 1
1 607 . 3 1 1 A 65 65 THR CB C 65 66.710 70.096 -3.386 1
1 609 . 3 1 1 A 65 65 THR N N 65 119.739 119.258 0.481 1
1 610 . 3 1 1 A 66 66 GLY H H 66 6.907 7.380 -0.473 1
1 611 . 3 1 1 A 66 66 GLY HA2 H 66 3.769 4.266 -0.497 1
1 612 . 3 1 1 A 66 66 GLY HA3 H 66 3.583 4.287 -0.704 1
1 613 . 3 1 1 A 66 66 GLY C C 66 173.131 171.871 1.260 1
1 614 . 3 1 1 A 66 66 GLY CA C 66 42.950 44.693 -1.743 1
1 615 . 3 1 1 A 66 66 GLY N N 66 108.712 109.115 -0.403 1
1 616 . 3 1 1 A 67 67 LEU H H 67 7.723 8.805 -1.082 1
1 617 . 3 1 1 A 67 67 LEU HA H 67 4.628 4.687 -0.059 1
1 626 . 3 1 1 A 67 67 LEU C C 67 167.522 175.851 -8.329 1
1 627 . 3 1 1 A 67 67 LEU CA C 67 51.200 54.651 -3.451 1
1 628 . 3 1 1 A 67 67 LEU CB C 67 42.747 42.479 0.268 1
1 631 . 3 1 1 A 67 67 LEU N N 67 118.448 125.836 -7.388 1
1 632 . 3 1 1 A 68 68 HIS H H 68 8.003 9.423 -1.420 1
1 633 . 3 1 1 A 68 68 HIS HA H 68 4.890 5.039 -0.149 1
1 637 . 3 1 1 A 68 68 HIS C C 68 174.161 173.873 0.288 1
1 638 . 3 1 1 A 68 68 HIS CA C 68 52.180 54.496 -2.316 1
1 639 . 3 1 1 A 68 68 HIS CB C 68 31.877 33.640 -1.763 1
1 640 . 3 1 1 A 68 68 HIS N N 68 116.650 118.840 -2.190 1
1 641 . 3 1 1 A 69 69 THR H H 69 8.515 8.741 -0.226 1
1 642 . 3 1 1 A 69 69 THR HA H 69 4.808 4.419 0.389 1
1 647 . 3 1 1 A 69 69 THR C C 69 172.511 173.953 -1.442 1
1 648 . 3 1 1 A 69 69 THR CA C 69 60.130 63.009 -2.879 1
1 649 . 3 1 1 A 69 69 THR CB C 69 67.840 69.035 -1.195 1
1 651 . 3 1 1 A 69 69 THR N N 69 114.721 117.902 -3.181 1
1 652 . 3 1 1 A 70 70 CYS H H 70 7.731 9.837 -2.106 1
1 653 . 3 1 1 A 70 70 CYS HA H 70 4.786 5.112 -0.326 1
1 656 . 3 1 1 A 70 70 CYS C C 70 172.053 173.180 -1.127 1
1 657 . 3 1 1 A 70 70 CYS CA C 70 51.950 54.856 -2.906 1
1 658 . 3 1 1 A 70 70 CYS CB C 70 43.320 44.485 -1.165 1
1 659 . 3 1 1 A 70 70 CYS N N 70 117.575 126.406 -8.831 1
1 660 . 3 1 1 A 71 71 ASP H H 71 8.370 8.849 -0.479 1
1 661 . 3 1 1 A 71 71 ASP HA H 71 4.993 5.314 -0.321 1
1 664 . 3 1 1 A 71 71 ASP C C 71 169.692 174.580 -4.888 1
1 665 . 3 1 1 A 71 71 ASP CA C 71 48.815 51.315 -2.500 1
1 666 . 3 1 1 A 71 71 ASP CB C 71 40.118 42.166 -2.048 1
1 667 . 3 1 1 A 71 71 ASP N N 71 120.975 122.144 -1.169 1
1 668 . 3 1 1 A 72 72 PRO HA H 72 4.145 4.418 -0.273 1
1 675 . 3 1 1 A 72 72 PRO CA C 72 61.360 62.781 -1.421 1
1 676 . 3 1 1 A 72 72 PRO CB C 72 30.141 30.617 -0.476 1
1 679 . 3 1 1 A 73 73 ALA H H 73 8.169 8.140 0.029 1
1 680 . 3 1 1 A 73 73 ALA HA H 73 4.247 4.587 -0.340 1
1 684 . 3 1 1 A 73 73 ALA C C 73 174.353 176.111 -1.758 1
1 685 . 3 1 1 A 73 73 ALA CA C 73 50.370 51.720 -1.350 1
1 686 . 3 1 1 A 73 73 ALA CB C 73 17.230 18.948 -1.718 1
1 687 . 3 1 1 A 73 73 ALA N N 73 122.390 125.196 -2.806 1
1 688 . 3 1 1 A 74 74 THR H H 74 7.704 8.757 -1.053 1
1 689 . 3 1 1 A 74 74 THR C C 74 175.770 173.081 2.689 1
1 690 . 3 1 1 A 74 74 THR CA C 74 57.794 59.274 -1.480 1
1 691 . 3 1 1 A 74 74 THR CB C 74 67.994 69.614 -1.620 1
1 692 . 3 1 1 A 74 74 THR N N 74 114.834 118.200 -3.366 1
1 693 . 3 1 1 A 75 75 PRO HA H 75 4.386 4.769 -0.383 1
1 700 . 3 1 1 A 75 75 PRO CA C 75 61.440 62.879 -1.439 1
1 701 . 3 1 1 A 75 75 PRO CB C 75 30.088 32.785 -2.697 1
1 704 . 3 1 1 A 76 76 SER H H 76 8.209 8.840 -0.631 1
1 705 . 3 1 1 A 76 76 SER HA H 76 4.373 4.829 -0.456 1
1 708 . 3 1 1 A 76 76 SER C C 76 175.051 174.846 0.205 1
1 709 . 3 1 1 A 76 76 SER CA C 76 56.360 57.170 -0.810 1
1 710 . 3 1 1 A 76 76 SER CB C 76 61.939 64.384 -2.445 1
1 711 . 3 1 1 A 76 76 SER N N 76 115.319 117.482 -2.163 1
1 712 . 3 1 1 A 77 77 GLY H H 77 8.124 8.864 -0.740 1
1 713 . 3 1 1 A 77 77 GLY HA2 H 77 4.093 3.844 0.249 1
1 714 . 3 1 1 A 77 77 GLY HA3 H 77 3.577 3.853 -0.276 1
1 715 . 3 1 1 A 77 77 GLY C C 77 173.087 174.483 -1.396 1
1 716 . 3 1 1 A 77 77 GLY CA C 77 43.555 47.410 -3.855 1
1 717 . 3 1 1 A 77 77 GLY N N 77 110.791 114.655 -3.864 1
1 3 . 4 1 1 A 1 1 ALA HA H 5 4.015 4.222 -0.207 1
1 7 . 4 1 1 A 2 2 THR H H 6 7.608 8.876 -1.268 1
1 8 . 4 1 1 A 2 2 THR C C 2 174.815 174.539 0.276 1
1 9 . 4 1 1 A 2 2 THR CA C 2 56.801 61.815 -5.014 1
1 10 . 4 1 1 A 2 2 THR CB C 2 68.857 69.849 -0.992 1
1 11 . 4 1 1 A 2 2 THR N N 6 113.279 123.720 -10.441 1
1 12 . 4 1 1 A 5 5 PRO HA H 5 4.493 4.222 0.271 1
1 19 . 4 1 1 A 5 5 PRO CA C 5 61.290 63.180 -1.890 1
1 20 . 4 1 1 A 5 5 PRO CB C 5 30.190 31.987 -1.797 1
1 23 . 4 1 1 A 6 6 VAL H H 6 7.794 8.876 -1.082 1
1 24 . 4 1 1 A 6 6 VAL HA H 6 3.880 3.632 0.248 1
1 32 . 4 1 1 A 6 6 VAL C C 6 175.059 174.781 0.278 1
1 33 . 4 1 1 A 6 6 VAL CA C 6 59.560 63.041 -3.481 1
1 34 . 4 1 1 A 6 6 VAL CB C 6 30.680 30.858 -0.178 1
1 37 . 4 1 1 A 6 6 VAL N N 6 118.616 123.720 -5.104 1
1 38 . 4 1 1 A 7 7 ALA H H 7 8.029 8.482 -0.453 1
1 39 . 4 1 1 A 7 7 ALA HA H 7 4.167 3.950 0.217 1
1 43 . 4 1 1 A 7 7 ALA C C 7 173.395 176.720 -3.325 1
1 44 . 4 1 1 A 7 7 ALA CA C 7 50.780 54.255 -3.475 1
1 45 . 4 1 1 A 7 7 ALA CB C 7 18.292 17.620 0.672 1
1 46 . 4 1 1 A 7 7 ALA N N 7 126.653 125.966 0.687 1
1 47 . 4 1 1 A 8 8 GLU H H 8 8.587 8.615 -0.028 1
1 48 . 4 1 1 A 8 8 GLU HA H 8 4.085 3.782 0.303 1
1 53 . 4 1 1 A 8 8 GLU C C 8 176.717 176.254 0.463 1
1 54 . 4 1 1 A 8 8 GLU CA C 8 56.520 58.138 -1.618 1
1 55 . 4 1 1 A 8 8 GLU CB C 8 27.393 27.219 0.174 1
1 57 . 4 1 1 A 8 8 GLU N N 8 118.049 112.036 6.013 1
1 58 . 4 1 1 A 9 9 CYS H H 9 7.348 7.883 -0.535 1
1 59 . 4 1 1 A 9 9 CYS HA H 9 4.422 4.570 -0.148 1
1 62 . 4 1 1 A 9 9 CYS C C 9 173.399 173.577 -0.178 1
1 63 . 4 1 1 A 9 9 CYS CA C 9 51.850 57.160 -5.310 1
1 64 . 4 1 1 A 9 9 CYS CB C 9 38.617 43.468 -4.851 1
1 65 . 4 1 1 A 9 9 CYS N N 9 109.798 117.077 -7.279 1
1 66 . 4 1 1 A 10 10 VAL H H 10 7.682 7.460 0.222 1
1 67 . 4 1 1 A 10 10 VAL HA H 10 4.483 4.556 -0.073 1
1 75 . 4 1 1 A 10 10 VAL C C 10 172.261 174.942 -2.681 1
1 76 . 4 1 1 A 10 10 VAL CA C 10 60.360 60.710 -0.350 1
1 77 . 4 1 1 A 10 10 VAL CB C 10 29.445 33.266 -3.821 1
1 80 . 4 1 1 A 10 10 VAL N N 10 125.088 120.610 4.478 1
1 81 . 4 1 1 A 11 11 GLU H H 11 8.322 8.624 -0.302 1
1 82 . 4 1 1 A 11 11 GLU HA H 11 4.644 4.708 -0.064 1
1 87 . 4 1 1 A 11 11 GLU C C 11 172.004 174.440 -2.436 1
1 88 . 4 1 1 A 11 11 GLU CA C 11 51.852 54.705 -2.853 1
1 89 . 4 1 1 A 11 11 GLU CB C 11 31.925 33.219 -1.294 1
1 91 . 4 1 1 A 11 11 GLU N N 11 124.099 126.927 -2.828 1
1 92 . 4 1 1 A 12 12 TYR H H 12 7.843 8.447 -0.604 1
1 93 . 4 1 1 A 12 12 TYR HA H 12 5.697 6.448 -0.751 1
1 100 . 4 1 1 A 12 12 TYR C C 12 172.281 173.949 -1.668 1
1 101 . 4 1 1 A 12 12 TYR CA C 12 53.160 55.501 -2.341 1
1 102 . 4 1 1 A 12 12 TYR CB C 12 40.610 41.733 -1.123 1
1 103 . 4 1 1 A 12 12 TYR N N 12 115.283 124.668 -9.385 1
1 104 . 4 1 1 A 13 13 PHE H H 13 9.057 8.860 0.197 1
1 105 . 4 1 1 A 13 13 PHE HA H 13 4.750 5.170 -0.420 1
1 106 . 4 1 1 A 13 13 PHE C C 13 170.766 173.789 -3.023 1
1 107 . 4 1 1 A 13 13 PHE CA C 13 54.815 57.089 -2.274 1
1 108 . 4 1 1 A 13 13 PHE CB C 13 39.947 43.209 -3.262 1
1 109 . 4 1 1 A 13 13 PHE N N 13 119.347 120.353 -1.006 1
1 110 . 4 1 1 A 14 14 GLN HA H 14 5.302 5.072 0.230 1
1 113 . 4 1 1 A 14 14 GLN CA C 14 53.700 54.032 -0.332 1
1 114 . 4 1 1 A 14 14 GLN CB C 14 30.685 31.037 -0.352 1
1 115 . 4 1 1 A 15 15 SER H H 15 8.657 9.040 -0.383 1
1 116 . 4 1 1 A 15 15 SER HA H 15 4.715 4.800 -0.085 1
1 117 . 4 1 1 A 15 15 SER C C 15 172.296 173.613 -1.317 1
1 118 . 4 1 1 A 15 15 SER CA C 15 54.708 56.709 -2.001 1
1 119 . 4 1 1 A 15 15 SER CB C 15 64.456 65.014 -0.558 1
1 120 . 4 1 1 A 15 15 SER N N 15 119.667 116.995 2.672 1
1 121 . 4 1 1 A 17 17 ARG HA H 17 3.413 3.875 -0.462 1
1 124 . 4 1 1 A 17 17 ARG CA C 17 55.648 57.315 -1.667 1
1 125 . 4 1 1 A 17 17 ARG CB C 17 29.496 26.915 2.581 1
1 126 . 4 1 1 A 18 18 TYR H H 18 6.870 7.996 -1.126 1
1 127 . 4 1 1 A 18 18 TYR HA H 18 5.233 4.919 0.314 1
1 134 . 4 1 1 A 18 18 TYR C C 18 174.107 174.390 -0.283 1
1 135 . 4 1 1 A 18 18 TYR CA C 18 54.231 57.915 -3.684 1
1 136 . 4 1 1 A 18 18 TYR CB C 18 40.725 40.511 0.214 1
1 137 . 4 1 1 A 18 18 TYR N N 18 114.525 119.044 -4.519 1
1 138 . 4 1 1 A 19 19 THR H H 19 8.684 9.255 -0.571 1
1 139 . 4 1 1 A 19 19 THR HA H 19 5.061 5.218 -0.157 1
1 144 . 4 1 1 A 19 19 THR C C 19 173.054 173.511 -0.457 1
1 145 . 4 1 1 A 19 19 THR CA C 19 60.704 62.553 -1.849 1
1 146 . 4 1 1 A 19 19 THR CB C 19 67.997 68.615 -0.618 1
1 148 . 4 1 1 A 19 19 THR N N 19 119.368 123.993 -4.625 1
1 149 . 4 1 1 A 20 20 ASP H H 20 8.975 8.531 0.444 1
1 150 . 4 1 1 A 20 20 ASP HA H 20 5.690 4.806 0.884 1
1 153 . 4 1 1 A 20 20 ASP C C 20 171.832 174.602 -2.770 1
1 154 . 4 1 1 A 20 20 ASP CA C 20 52.039 52.890 -0.851 1
1 155 . 4 1 1 A 20 20 ASP CB C 20 42.292 40.518 1.774 1
1 156 . 4 1 1 A 20 20 ASP N N 20 128.307 126.945 1.362 1
1 157 . 4 1 1 A 21 21 VAL H H 21 9.496 8.349 1.147 1
1 158 . 4 1 1 A 21 21 VAL HA H 21 4.775 4.853 -0.078 1
1 166 . 4 1 1 A 21 21 VAL C C 21 173.611 174.571 -0.960 1
1 167 . 4 1 1 A 21 21 VAL CA C 21 59.478 60.624 -1.146 1
1 168 . 4 1 1 A 21 21 VAL CB C 21 32.243 33.546 -1.303 1
1 171 . 4 1 1 A 21 21 VAL N N 21 123.356 124.821 -1.465 1
1 172 . 4 1 1 A 22 22 HIS H H 22 8.973 8.529 0.444 1
1 173 . 4 1 1 A 22 22 HIS HA H 22 4.622 5.895 -1.273 1
1 177 . 4 1 1 A 22 22 HIS C C 22 171.626 173.948 -2.322 1
1 178 . 4 1 1 A 22 22 HIS CA C 22 49.980 54.390 -4.410 1
1 179 . 4 1 1 A 22 22 HIS CB C 22 28.390 31.548 -3.158 1
1 180 . 4 1 1 A 22 22 HIS N N 22 124.534 127.018 -2.484 1
1 181 . 4 1 1 A 23 23 ASN H H 23 8.317 9.093 -0.776 1
1 182 . 4 1 1 A 23 23 ASN HA H 23 4.517 4.774 -0.257 1
1 185 . 4 1 1 A 23 23 ASN C C 23 171.836 176.234 -4.398 1
1 186 . 4 1 1 A 23 23 ASN CA C 23 49.380 53.626 -4.246 1
1 187 . 4 1 1 A 23 23 ASN CB C 23 36.018 40.029 -4.011 1
1 188 . 4 1 1 A 23 23 ASN N N 23 123.095 124.234 -1.139 1
1 189 . 4 1 1 A 24 24 GLY H H 24 7.602 8.378 -0.776 1
1 190 . 4 1 1 A 24 24 GLY HA2 H 24 4.051 4.158 -0.107 1
1 191 . 4 1 1 A 24 24 GLY HA3 H 24 3.381 4.163 -0.782 1
1 192 . 4 1 1 A 24 24 GLY C C 24 171.684 174.208 -2.524 1
1 193 . 4 1 1 A 24 24 GLY CA C 24 42.936 45.556 -2.620 1
1 194 . 4 1 1 A 24 24 GLY N N 24 113.217 110.402 2.815 1
1 195 . 4 1 1 A 25 25 CYS H H 25 8.145 7.956 0.189 1
1 196 . 4 1 1 A 25 25 CYS HA H 25 4.544 4.703 -0.159 1
1 199 . 4 1 1 A 25 25 CYS C C 25 172.305 173.670 -1.365 1
1 200 . 4 1 1 A 25 25 CYS CA C 25 50.790 56.019 -5.229 1
1 201 . 4 1 1 A 25 25 CYS CB C 25 39.528 43.483 -3.955 1
1 202 . 4 1 1 A 25 25 CYS N N 25 119.843 119.001 0.842 1
1 203 . 4 1 1 A 26 26 ALA H H 26 8.111 8.711 -0.600 1
1 204 . 4 1 1 A 26 26 ALA HA H 26 4.084 4.263 -0.179 1
1 208 . 4 1 1 A 26 26 ALA C C 26 172.481 176.777 -4.296 1
1 209 . 4 1 1 A 26 26 ALA CA C 26 50.950 53.590 -2.640 1
1 210 . 4 1 1 A 26 26 ALA CB C 26 17.251 19.300 -2.049 1
1 211 . 4 1 1 A 26 26 ALA N N 26 119.852 124.673 -4.821 1
1 212 . 4 1 1 A 27 27 ASP H H 27 6.938 7.719 -0.781 1
1 213 . 4 1 1 A 27 27 ASP HA H 27 4.787 5.221 -0.434 1
1 216 . 4 1 1 A 27 27 ASP C C 27 174.263 174.987 -0.724 1
1 217 . 4 1 1 A 27 27 ASP CA C 27 49.550 52.218 -2.668 1
1 218 . 4 1 1 A 27 27 ASP CB C 27 42.250 43.831 -1.581 1
1 219 . 4 1 1 A 27 27 ASP N N 27 113.761 117.047 -3.286 1
1 220 . 4 1 1 A 28 28 ALA H H 28 8.454 8.412 0.042 1
1 221 . 4 1 1 A 28 28 ALA HA H 28 3.986 4.957 -0.971 1
1 225 . 4 1 1 A 28 28 ALA C C 28 173.188 177.492 -4.304 1
1 226 . 4 1 1 A 28 28 ALA CA C 28 50.550 52.024 -1.474 1
1 227 . 4 1 1 A 28 28 ALA CB C 28 16.820 19.173 -2.353 1
1 228 . 4 1 1 A 28 28 ALA N N 28 121.635 123.675 -2.040 1
1 229 . 4 1 1 A 29 29 VAL H H 29 7.742 8.923 -1.181 1
1 230 . 4 1 1 A 29 29 VAL HA H 29 4.553 4.886 -0.333 1
1 238 . 4 1 1 A 29 29 VAL C C 29 174.826 174.477 0.349 1
1 239 . 4 1 1 A 29 29 VAL CA C 29 57.140 59.685 -2.545 1
1 240 . 4 1 1 A 29 29 VAL CB C 29 33.000 34.515 -1.515 1
1 243 . 4 1 1 A 29 29 VAL N N 29 113.732 119.249 -5.517 1
1 244 . 4 1 1 A 30 30 SER H H 30 8.101 8.860 -0.759 1
1 245 . 4 1 1 A 30 30 SER HA H 30 5.338 5.117 0.221 1
1 248 . 4 1 1 A 30 30 SER C C 30 171.613 174.536 -2.923 1
1 249 . 4 1 1 A 30 30 SER CA C 30 54.310 58.115 -3.805 1
1 250 . 4 1 1 A 30 30 SER CB C 30 62.237 63.953 -1.716 1
1 251 . 4 1 1 A 30 30 SER N N 30 118.729 121.958 -3.229 1
1 252 . 4 1 1 A 31 31 VAL H H 31 8.780 9.517 -0.737 1
1 253 . 4 1 1 A 31 31 VAL HA H 31 5.146 5.168 -0.022 1
1 261 . 4 1 1 A 31 31 VAL C C 31 172.831 174.178 -1.347 1
1 262 . 4 1 1 A 31 31 VAL CA C 31 56.940 59.714 -2.774 1
1 263 . 4 1 1 A 31 31 VAL CB C 31 35.030 34.560 0.470 1
1 266 . 4 1 1 A 31 31 VAL N N 31 119.018 120.656 -1.638 1
1 267 . 4 1 1 A 32 32 THR H H 32 8.366 8.855 -0.489 1
1 268 . 4 1 1 A 32 32 THR HA H 32 4.498 4.774 -0.276 1
1 273 . 4 1 1 A 32 32 THR C C 32 171.480 172.604 -1.124 1
1 274 . 4 1 1 A 32 32 THR CA C 32 57.100 60.139 -3.039 1
1 275 . 4 1 1 A 32 32 THR CB C 32 67.767 71.547 -3.780 1
1 277 . 4 1 1 A 32 32 THR N N 32 115.885 116.287 -0.402 1
1 278 . 4 1 1 A 33 33 VAL H H 33 6.720 8.548 -1.828 1
1 279 . 4 1 1 A 33 33 VAL HA H 33 3.950 5.040 -1.090 1
1 287 . 4 1 1 A 33 33 VAL C C 33 169.808 173.267 -3.459 1
1 288 . 4 1 1 A 33 33 VAL CA C 33 57.990 58.994 -1.004 1
1 289 . 4 1 1 A 33 33 VAL CB C 33 32.331 34.647 -2.316 1
1 292 . 4 1 1 A 33 33 VAL N N 33 119.716 121.762 -2.046 1
1 293 . 4 1 1 A 34 34 GLU H H 34 7.670 9.078 -1.408 1
1 294 . 4 1 1 A 34 34 GLU HA H 34 4.187 4.518 -0.331 1
1 297 . 4 1 1 A 34 34 GLU C C 34 171.032 174.991 -3.959 1
1 298 . 4 1 1 A 34 34 GLU CA C 34 51.930 54.310 -2.380 1
1 299 . 4 1 1 A 34 34 GLU CB C 34 29.430 30.847 -1.417 1
1 300 . 4 1 1 A 34 34 GLU N N 34 123.182 124.818 -1.636 1
1 301 . 4 1 1 A 35 35 TYR H H 35 8.500 8.774 -0.274 1
1 302 . 4 1 1 A 35 35 TYR HA H 35 4.646 4.928 -0.282 1
1 309 . 4 1 1 A 35 35 TYR C C 35 172.817 177.352 -4.535 1
1 310 . 4 1 1 A 35 35 TYR CA C 35 55.880 57.860 -1.980 1
1 311 . 4 1 1 A 35 35 TYR CB C 35 38.300 40.308 -2.008 1
1 312 . 4 1 1 A 35 35 TYR N N 35 122.953 125.850 -2.897 1
1 313 . 4 1 1 A 36 36 THR H H 36 8.295 9.288 -0.993 1
1 314 . 4 1 1 A 36 36 THR HA H 36 3.731 3.892 -0.161 1
1 319 . 4 1 1 A 36 36 THR C C 36 175.873 175.503 0.370 1
1 320 . 4 1 1 A 36 36 THR CA C 36 65.169 66.589 -1.420 1
1 321 . 4 1 1 A 36 36 THR CB C 36 67.700 68.584 -0.884 1
1 323 . 4 1 1 A 36 36 THR N N 36 119.739 117.560 2.179 1
1 324 . 4 1 1 A 37 37 HIS H H 37 8.755 7.750 1.005 1
1 325 . 4 1 1 A 37 37 HIS HA H 37 4.807 4.619 0.188 1
1 329 . 4 1 1 A 37 37 HIS C C 37 173.381 175.925 -2.544 1
1 330 . 4 1 1 A 37 37 HIS CA C 37 53.412 57.782 -4.370 1
1 331 . 4 1 1 A 37 37 HIS CB C 37 27.137 30.988 -3.851 1
1 332 . 4 1 1 A 37 37 HIS N N 37 115.916 115.959 -0.043 1
1 333 . 4 1 1 A 38 38 GLY H H 38 7.856 8.181 -0.325 1
1 334 . 4 1 1 A 38 38 GLY HA2 H 38 4.091 4.119 -0.028 1
1 335 . 4 1 1 A 38 38 GLY HA3 H 38 3.795 4.199 -0.404 1
1 336 . 4 1 1 A 38 38 GLY C C 38 174.479 174.684 -0.205 1
1 337 . 4 1 1 A 38 38 GLY CA C 38 43.935 45.424 -1.489 1
1 338 . 4 1 1 A 38 38 GLY N N 38 106.387 104.282 2.105 1
1 339 . 4 1 1 A 39 39 GLN H H 39 8.096 7.597 0.499 1
1 340 . 4 1 1 A 39 39 GLN HA H 39 4.239 4.269 -0.030 1
1 345 . 4 1 1 A 39 39 GLN C C 39 171.748 175.677 -3.929 1
1 346 . 4 1 1 A 39 39 GLN CA C 39 55.050 56.128 -1.078 1
1 347 . 4 1 1 A 39 39 GLN CB C 39 26.580 29.648 -3.068 1
1 349 . 4 1 1 A 39 39 GLN N N 39 119.846 118.028 1.818 1
1 350 . 4 1 1 A 40 40 TRP H H 40 8.286 8.693 -0.407 1
1 351 . 4 1 1 A 40 40 TRP HA H 40 4.961 4.798 0.163 1
1 358 . 4 1 1 A 40 40 TRP C C 40 172.966 176.052 -3.086 1
1 359 . 4 1 1 A 40 40 TRP CA C 40 55.210 57.431 -2.221 1
1 360 . 4 1 1 A 40 40 TRP CB C 40 28.161 29.300 -1.139 1
1 361 . 4 1 1 A 40 40 TRP N N 40 121.182 124.805 -3.623 1
1 363 . 4 1 1 A 41 41 ALA H H 41 7.947 8.501 -0.554 1
1 364 . 4 1 1 A 41 41 ALA HA H 41 4.641 4.296 0.345 1
1 368 . 4 1 1 A 41 41 ALA C C 41 174.070 177.410 -3.340 1
1 369 . 4 1 1 A 41 41 ALA CA C 41 47.995 53.155 -5.160 1
1 370 . 4 1 1 A 41 41 ALA CB C 41 18.627 21.300 -2.673 1
1 371 . 4 1 1 A 41 41 ALA N N 41 126.752 129.298 -2.546 1
1 372 . 4 1 1 A 42 42 PRO HA H 42 4.240 4.075 0.165 1
1 377 . 4 1 1 A 42 42 PRO CA C 42 60.853 62.380 -1.527 1
1 378 . 4 1 1 A 42 42 PRO CB C 42 30.203 29.005 1.198 1
1 379 . 4 1 1 A 43 43 CYS H H 43 8.229 8.622 -0.393 1
1 380 . 4 1 1 A 43 43 CYS HA H 43 4.643 5.133 -0.490 1
1 383 . 4 1 1 A 43 43 CYS C C 43 173.099 171.876 1.223 1
1 384 . 4 1 1 A 43 43 CYS CA C 43 53.574 56.673 -3.099 1
1 385 . 4 1 1 A 43 43 CYS CB C 43 39.464 44.937 -5.473 1
1 386 . 4 1 1 A 43 43 CYS N N 43 119.646 121.483 -1.837 1
1 387 . 4 1 1 A 44 44 ARG H H 44 8.931 9.622 -0.691 1
1 388 . 4 1 1 A 44 44 ARG HA H 44 4.653 4.913 -0.260 1
1 395 . 4 1 1 A 44 44 ARG C C 44 172.821 174.778 -1.957 1
1 396 . 4 1 1 A 44 44 ARG CA C 44 51.850 54.301 -2.451 1
1 397 . 4 1 1 A 44 44 ARG CB C 44 30.892 33.903 -3.011 1
1 400 . 4 1 1 A 44 44 ARG N N 44 128.546 125.058 3.488 1
1 401 . 4 1 1 A 45 45 VAL H H 45 8.242 8.647 -0.405 1
1 402 . 4 1 1 A 45 45 VAL HA H 45 4.625 4.421 0.204 1
1 410 . 4 1 1 A 45 45 VAL C C 45 172.339 174.871 -2.532 1
1 411 . 4 1 1 A 45 45 VAL CA C 45 59.800 62.453 -2.653 1
1 412 . 4 1 1 A 45 45 VAL CB C 45 29.914 33.106 -3.192 1
1 415 . 4 1 1 A 45 45 VAL N N 45 123.347 125.677 -2.330 1
1 416 . 4 1 1 A 46 46 ILE H H 46 9.161 9.379 -0.218 1
1 417 . 4 1 1 A 46 46 ILE HA H 46 4.241 4.734 -0.493 1
1 427 . 4 1 1 A 46 46 ILE C C 46 174.656 175.734 -1.078 1
1 428 . 4 1 1 A 46 46 ILE CA C 46 58.660 59.859 -1.199 1
1 429 . 4 1 1 A 46 46 ILE CB C 46 37.551 39.858 -2.307 1
1 432 . 4 1 1 A 46 46 ILE N N 46 128.086 128.538 -0.452 1
1 433 . 4 1 1 A 47 47 GLU H H 47 9.214 8.636 0.578 1
1 434 . 4 1 1 A 47 47 GLU HA H 47 4.182 4.721 -0.539 1
1 439 . 4 1 1 A 47 47 GLU C C 47 174.413 174.968 -0.555 1
1 440 . 4 1 1 A 47 47 GLU CA C 47 53.820 54.453 -0.633 1
1 441 . 4 1 1 A 47 47 GLU CB C 47 25.600 29.379 -3.779 1
1 443 . 4 1 1 A 47 47 GLU N N 47 129.614 126.644 2.970 1
1 444 . 4 1 1 A 48 48 PRO HA H 48 3.872 4.470 -0.598 1
1 451 . 4 1 1 A 48 48 PRO CA C 48 62.770 63.813 -1.043 1
1 452 . 4 1 1 A 48 48 PRO CB C 48 29.241 31.339 -2.098 1
1 455 . 4 1 1 A 49 49 GLY H H 49 8.330 8.570 -0.240 1
1 456 . 4 1 1 A 49 49 GLY HA2 H 49 4.140 3.969 0.171 1
1 457 . 4 1 1 A 49 49 GLY HA3 H 49 3.702 4.007 -0.305 1
1 458 . 4 1 1 A 49 49 GLY C C 49 176.101 174.449 1.652 1
1 459 . 4 1 1 A 49 49 GLY CA C 49 43.930 45.371 -1.441 1
1 460 . 4 1 1 A 49 49 GLY N N 49 115.617 113.073 2.544 1
1 461 . 4 1 1 A 50 50 GLY H H 50 8.496 8.634 -0.138 1
1 462 . 4 1 1 A 50 50 GLY HA2 H 50 4.374 4.085 0.289 1
1 463 . 4 1 1 A 50 50 GLY HA3 H 50 3.614 4.114 -0.500 1
1 464 . 4 1 1 A 50 50 GLY C C 50 172.758 173.710 -0.952 1
1 465 . 4 1 1 A 50 50 GLY CA C 50 42.550 44.155 -1.605 1
1 466 . 4 1 1 A 50 50 GLY N N 50 108.129 108.274 -0.145 1
1 467 . 4 1 1 A 51 51 TRP H H 51 8.184 8.679 -0.495 1
1 468 . 4 1 1 A 51 51 TRP HA H 51 5.778 6.343 -0.565 1
1 475 . 4 1 1 A 51 51 TRP C C 51 170.134 175.419 -5.285 1
1 476 . 4 1 1 A 51 51 TRP CA C 51 53.820 55.794 -1.974 1
1 477 . 4 1 1 A 51 51 TRP CB C 51 30.930 33.902 -2.972 1
1 478 . 4 1 1 A 51 51 TRP N N 51 117.328 120.152 -2.824 1
1 480 . 4 1 1 A 52 52 ALA H H 52 9.354 9.032 0.322 1
1 481 . 4 1 1 A 52 52 ALA HA H 52 4.654 4.958 -0.304 1
1 485 . 4 1 1 A 52 52 ALA C C 52 174.350 175.551 -1.201 1
1 486 . 4 1 1 A 52 52 ALA CA C 52 49.250 50.892 -1.642 1
1 487 . 4 1 1 A 52 52 ALA CB C 52 20.971 21.159 -0.188 1
1 488 . 4 1 1 A 52 52 ALA N N 52 122.785 123.108 -0.323 1
1 489 . 4 1 1 A 53 53 THR H H 53 8.059 8.498 -0.439 1
1 490 . 4 1 1 A 53 53 THR HA H 53 5.251 4.559 0.692 1
1 495 . 4 1 1 A 53 53 THR C C 53 173.703 174.092 -0.389 1
1 496 . 4 1 1 A 53 53 THR CA C 53 60.321 62.597 -2.276 1
1 497 . 4 1 1 A 53 53 THR CB C 53 69.150 68.750 0.400 1
1 499 . 4 1 1 A 53 53 THR N N 53 115.813 118.271 -2.458 1
1 500 . 4 1 1 A 54 54 PHE H H 54 9.370 8.424 0.946 1
1 501 . 4 1 1 A 54 54 PHE HA H 54 4.827 4.934 -0.107 1
1 508 . 4 1 1 A 54 54 PHE C C 54 171.593 175.142 -3.549 1
1 509 . 4 1 1 A 54 54 PHE CA C 54 53.813 56.444 -2.631 1
1 510 . 4 1 1 A 54 54 PHE CB C 54 40.556 43.024 -2.468 1
1 511 . 4 1 1 A 54 54 PHE N N 54 125.684 124.703 0.981 1
1 512 . 4 1 1 A 55 55 ALA H H 55 8.706 8.743 -0.037 1
1 513 . 4 1 1 A 55 55 ALA HA H 55 4.362 4.333 0.029 1
1 517 . 4 1 1 A 55 55 ALA C C 55 173.468 177.919 -4.451 1
1 518 . 4 1 1 A 55 55 ALA CA C 55 52.010 52.295 -0.285 1
1 519 . 4 1 1 A 55 55 ALA CB C 55 16.740 19.023 -2.283 1
1 520 . 4 1 1 A 55 55 ALA N N 55 124.175 125.883 -1.708 1
1 521 . 4 1 1 A 56 56 GLY H H 56 7.517 8.776 -1.259 1
1 522 . 4 1 1 A 56 56 GLY HA2 H 56 4.252 4.158 0.094 1
1 523 . 4 1 1 A 56 56 GLY HA3 H 56 3.339 4.243 -0.904 1
1 524 . 4 1 1 A 56 56 GLY C C 56 178.583 173.003 5.580 1
1 525 . 4 1 1 A 56 56 GLY CA C 56 42.282 44.745 -2.463 1
1 526 . 4 1 1 A 56 56 GLY N N 56 110.256 110.704 -0.448 1
1 527 . 4 1 1 A 57 57 TYR H H 57 7.154 8.739 -1.585 1
1 528 . 4 1 1 A 57 57 TYR HA H 57 4.516 5.681 -1.165 1
1 535 . 4 1 1 A 57 57 TYR C C 57 170.587 176.137 -5.550 1
1 536 . 4 1 1 A 57 57 TYR CA C 57 55.130 57.407 -2.277 1
1 537 . 4 1 1 A 57 57 TYR CB C 57 36.127 38.594 -2.467 1
1 538 . 4 1 1 A 57 57 TYR N N 57 113.618 118.024 -4.406 1
1 539 . 4 1 1 A 58 58 GLY H H 58 8.498 8.368 0.130 1
1 540 . 4 1 1 A 58 58 GLY HA2 H 58 3.946 4.033 -0.087 1
1 541 . 4 1 1 A 58 58 GLY HA3 H 58 3.420 4.100 -0.680 1
1 542 . 4 1 1 A 58 58 GLY C C 58 175.193 174.785 0.408 1
1 543 . 4 1 1 A 58 58 GLY CA C 58 43.806 44.723 -0.917 1
1 544 . 4 1 1 A 58 58 GLY N N 58 109.549 110.509 -0.960 1
1 545 . 4 1 1 A 59 59 THR H H 59 8.301 8.563 -0.262 1
1 546 . 4 1 1 A 59 59 THR HA H 59 4.277 3.973 0.304 1
1 547 . 4 1 1 A 59 59 THR C C 59 172.318 174.752 -2.434 1
1 548 . 4 1 1 A 59 59 THR CA C 59 60.637 65.846 -5.209 1
1 549 . 4 1 1 A 59 59 THR CB C 59 67.412 68.790 -1.378 1
1 550 . 4 1 1 A 59 59 THR N N 59 111.031 113.025 -1.994 1
1 551 . 4 1 1 A 60 60 ASP H H 60 8.414 7.891 0.523 1
1 552 . 4 1 1 A 60 60 ASP HA H 60 4.679 5.108 -0.429 1
1 555 . 4 1 1 A 60 60 ASP C C 60 173.345 175.007 -1.662 1
1 556 . 4 1 1 A 60 60 ASP CA C 60 51.030 53.139 -2.109 1
1 557 . 4 1 1 A 60 60 ASP CB C 60 38.608 43.270 -4.662 1
1 558 . 4 1 1 A 60 60 ASP N N 60 120.007 118.727 1.280 1
1 559 . 4 1 1 A 61 61 GLY H H 61 7.967 8.465 -0.498 1
1 560 . 4 1 1 A 61 61 GLY HA2 H 61 3.550 4.131 -0.581 1
1 561 . 4 1 1 A 61 61 GLY HA3 H 61 2.879 4.203 -1.324 1
1 562 . 4 1 1 A 61 61 GLY C C 61 175.339 172.004 3.335 1
1 563 . 4 1 1 A 61 61 GLY CA C 61 44.956 45.749 -0.793 1
1 564 . 4 1 1 A 61 61 GLY N N 61 108.692 112.294 -3.602 1
1 565 . 4 1 1 A 62 62 ASN H H 62 8.507 8.450 0.057 1
1 566 . 4 1 1 A 62 62 ASN HA H 62 4.455 5.540 -1.085 1
1 571 . 4 1 1 A 62 62 ASN C C 62 172.217 173.971 -1.754 1
1 572 . 4 1 1 A 62 62 ASN CA C 62 48.627 52.873 -4.246 1
1 573 . 4 1 1 A 62 62 ASN CB C 62 34.339 40.978 -6.639 1
1 574 . 4 1 1 A 62 62 ASN N N 62 120.625 120.963 -0.338 1
1 576 . 4 1 1 A 63 63 TYR H H 63 6.994 9.027 -2.033 1
1 577 . 4 1 1 A 63 63 TYR HA H 63 4.477 5.317 -0.840 1
1 580 . 4 1 1 A 63 63 TYR C C 63 172.042 174.378 -2.336 1
1 581 . 4 1 1 A 63 63 TYR CA C 63 56.210 56.339 -0.129 1
1 582 . 4 1 1 A 63 63 TYR CB C 63 36.755 41.641 -4.886 1
1 583 . 4 1 1 A 63 63 TYR N N 63 116.333 123.168 -6.835 1
1 584 . 4 1 1 A 64 64 VAL H H 64 8.841 8.868 -0.027 1
1 585 . 4 1 1 A 64 64 VAL HA H 64 3.689 3.784 -0.095 1
1 593 . 4 1 1 A 64 64 VAL C C 64 175.531 175.599 -0.068 1
1 594 . 4 1 1 A 64 64 VAL CA C 64 61.550 62.563 -1.013 1
1 595 . 4 1 1 A 64 64 VAL CB C 64 30.583 31.775 -1.192 1
1 598 . 4 1 1 A 64 64 VAL N N 64 123.889 126.888 -2.999 1
1 599 . 4 1 1 A 65 65 THR H H 65 8.850 9.190 -0.340 1
1 600 . 4 1 1 A 65 65 THR HA H 65 4.210 4.296 -0.086 1
1 605 . 4 1 1 A 65 65 THR C C 65 175.388 174.934 0.454 1
1 606 . 4 1 1 A 65 65 THR CA C 65 60.109 61.257 -1.148 1
1 607 . 4 1 1 A 65 65 THR CB C 65 66.710 70.101 -3.391 1
1 609 . 4 1 1 A 65 65 THR N N 65 119.739 119.176 0.563 1
1 610 . 4 1 1 A 66 66 GLY H H 66 6.907 7.322 -0.415 1
1 611 . 4 1 1 A 66 66 GLY HA2 H 66 3.769 4.238 -0.469 1
1 612 . 4 1 1 A 66 66 GLY HA3 H 66 3.583 4.276 -0.693 1
1 613 . 4 1 1 A 66 66 GLY C C 66 173.131 171.734 1.397 1
1 614 . 4 1 1 A 66 66 GLY CA C 66 42.950 44.897 -1.947 1
1 615 . 4 1 1 A 66 66 GLY N N 66 108.712 108.941 -0.229 1
1 616 . 4 1 1 A 67 67 LEU H H 67 7.723 8.682 -0.959 1
1 617 . 4 1 1 A 67 67 LEU HA H 67 4.628 5.100 -0.472 1
1 626 . 4 1 1 A 67 67 LEU C C 67 167.522 175.415 -7.893 1
1 627 . 4 1 1 A 67 67 LEU CA C 67 51.200 53.783 -2.583 1
1 628 . 4 1 1 A 67 67 LEU CB C 67 42.747 43.497 -0.750 1
1 631 . 4 1 1 A 67 67 LEU N N 67 118.448 125.341 -6.893 1
1 632 . 4 1 1 A 68 68 HIS H H 68 8.003 9.250 -1.247 1
1 633 . 4 1 1 A 68 68 HIS HA H 68 4.890 5.024 -0.134 1
1 637 . 4 1 1 A 68 68 HIS C C 68 174.161 173.911 0.250 1
1 638 . 4 1 1 A 68 68 HIS CA C 68 52.180 54.532 -2.352 1
1 639 . 4 1 1 A 68 68 HIS CB C 68 31.877 34.346 -2.469 1
1 640 . 4 1 1 A 68 68 HIS N N 68 116.650 121.174 -4.524 1
1 641 . 4 1 1 A 69 69 THR H H 69 8.515 8.618 -0.103 1
1 642 . 4 1 1 A 69 69 THR HA H 69 4.808 4.459 0.349 1
1 647 . 4 1 1 A 69 69 THR C C 69 172.511 173.804 -1.293 1
1 648 . 4 1 1 A 69 69 THR CA C 69 60.130 62.571 -2.441 1
1 649 . 4 1 1 A 69 69 THR CB C 69 67.840 69.021 -1.181 1
1 651 . 4 1 1 A 69 69 THR N N 69 114.721 114.697 0.024 1
1 652 . 4 1 1 A 70 70 CYS H H 70 7.731 9.903 -2.172 1
1 653 . 4 1 1 A 70 70 CYS HA H 70 4.786 5.116 -0.330 1
1 656 . 4 1 1 A 70 70 CYS C C 70 172.053 172.692 -0.639 1
1 657 . 4 1 1 A 70 70 CYS CA C 70 51.950 55.050 -3.100 1
1 658 . 4 1 1 A 70 70 CYS CB C 70 43.320 44.810 -1.490 1
1 659 . 4 1 1 A 70 70 CYS N N 70 117.575 125.588 -8.013 1
1 660 . 4 1 1 A 71 71 ASP H H 71 8.370 8.978 -0.608 1
1 661 . 4 1 1 A 71 71 ASP HA H 71 4.993 5.252 -0.259 1
1 664 . 4 1 1 A 71 71 ASP C C 71 169.692 174.095 -4.403 1
1 665 . 4 1 1 A 71 71 ASP CA C 71 48.815 51.315 -2.500 1
1 666 . 4 1 1 A 71 71 ASP CB C 71 40.118 43.571 -3.453 1
1 667 . 4 1 1 A 71 71 ASP N N 71 120.975 121.444 -0.469 1
1 668 . 4 1 1 A 72 72 PRO HA H 72 4.145 4.421 -0.276 1
1 675 . 4 1 1 A 72 72 PRO CA C 72 61.360 63.009 -1.649 1
1 676 . 4 1 1 A 72 72 PRO CB C 72 30.141 31.030 -0.889 1
1 679 . 4 1 1 A 73 73 ALA H H 73 8.169 8.059 0.110 1
1 680 . 4 1 1 A 73 73 ALA HA H 73 4.247 4.633 -0.386 1
1 684 . 4 1 1 A 73 73 ALA C C 73 174.353 176.059 -1.706 1
1 685 . 4 1 1 A 73 73 ALA CA C 73 50.370 51.696 -1.326 1
1 686 . 4 1 1 A 73 73 ALA CB C 73 17.230 18.951 -1.721 1
1 687 . 4 1 1 A 73 73 ALA N N 73 122.390 125.323 -2.933 1
1 688 . 4 1 1 A 74 74 THR H H 74 7.704 8.759 -1.055 1
1 689 . 4 1 1 A 74 74 THR C C 74 175.770 173.286 2.484 1
1 690 . 4 1 1 A 74 74 THR CA C 74 57.794 59.153 -1.359 1
1 691 . 4 1 1 A 74 74 THR CB C 74 67.994 69.627 -1.633 1
1 692 . 4 1 1 A 74 74 THR N N 74 114.834 118.299 -3.465 1
1 693 . 4 1 1 A 75 75 PRO HA H 75 4.386 4.775 -0.389 1
1 700 . 4 1 1 A 75 75 PRO CA C 75 61.440 62.340 -0.900 1
1 701 . 4 1 1 A 75 75 PRO CB C 75 30.088 32.398 -2.310 1
1 704 . 4 1 1 A 76 76 SER H H 76 8.209 9.128 -0.919 1
1 705 . 4 1 1 A 76 76 SER HA H 76 4.373 4.686 -0.313 1
1 708 . 4 1 1 A 76 76 SER C C 76 175.051 174.812 0.239 1
1 709 . 4 1 1 A 76 76 SER CA C 76 56.360 59.531 -3.171 1
1 710 . 4 1 1 A 76 76 SER CB C 76 61.939 63.852 -1.913 1
1 711 . 4 1 1 A 76 76 SER N N 76 115.319 118.575 -3.256 1
1 712 . 4 1 1 A 77 77 GLY H H 77 8.124 8.567 -0.443 1
1 713 . 4 1 1 A 77 77 GLY HA2 H 77 4.093 3.949 0.144 1
1 714 . 4 1 1 A 77 77 GLY HA3 H 77 3.577 3.988 -0.411 1
1 715 . 4 1 1 A 77 77 GLY C C 77 173.087 173.575 -0.488 1
1 716 . 4 1 1 A 77 77 GLY CA C 77 43.555 46.755 -3.200 1
1 717 . 4 1 1 A 77 77 GLY N N 77 110.791 113.121 -2.330 1
1 3 . 5 1 1 A 1 1 ALA HA H 5 4.015 4.270 -0.255 1
1 7 . 5 1 1 A 2 2 THR H H 6 7.608 8.121 -0.513 1
1 8 . 5 1 1 A 2 2 THR C C 2 174.815 175.216 -0.401 1
1 9 . 5 1 1 A 2 2 THR CA C 2 56.801 64.550 -7.749 1
1 10 . 5 1 1 A 2 2 THR CB C 2 68.857 67.878 0.979 1
1 11 . 5 1 1 A 2 2 THR N N 6 113.279 121.484 -8.205 1
1 12 . 5 1 1 A 5 5 PRO HA H 5 4.493 4.270 0.223 1
1 19 . 5 1 1 A 5 5 PRO CA C 5 61.290 63.134 -1.844 1
1 20 . 5 1 1 A 5 5 PRO CB C 5 30.190 32.077 -1.887 1
1 23 . 5 1 1 A 6 6 VAL H H 6 7.794 8.121 -0.327 1
1 24 . 5 1 1 A 6 6 VAL HA H 6 3.880 4.364 -0.484 1
1 32 . 5 1 1 A 6 6 VAL C C 6 175.059 176.554 -1.495 1
1 33 . 5 1 1 A 6 6 VAL CA C 6 59.560 63.855 -4.295 1
1 34 . 5 1 1 A 6 6 VAL CB C 6 30.680 31.424 -0.744 1
1 37 . 5 1 1 A 6 6 VAL N N 6 118.616 121.484 -2.868 1
1 38 . 5 1 1 A 7 7 ALA H H 7 8.029 8.528 -0.499 1
1 39 . 5 1 1 A 7 7 ALA HA H 7 4.167 4.178 -0.011 1
1 43 . 5 1 1 A 7 7 ALA C C 7 173.395 177.972 -4.577 1
1 44 . 5 1 1 A 7 7 ALA CA C 7 50.780 52.390 -1.610 1
1 45 . 5 1 1 A 7 7 ALA CB C 7 18.292 19.269 -0.977 1
1 46 . 5 1 1 A 7 7 ALA N N 7 126.653 129.664 -3.011 1
1 47 . 5 1 1 A 8 8 GLU H H 8 8.587 7.920 0.667 1
1 48 . 5 1 1 A 8 8 GLU HA H 8 4.085 3.887 0.198 1
1 53 . 5 1 1 A 8 8 GLU C C 8 176.717 176.302 0.415 1
1 54 . 5 1 1 A 8 8 GLU CA C 8 56.520 58.281 -1.761 1
1 55 . 5 1 1 A 8 8 GLU CB C 8 27.393 27.103 0.290 1
1 57 . 5 1 1 A 8 8 GLU N N 8 118.049 112.650 5.399 1
1 58 . 5 1 1 A 9 9 CYS H H 9 7.348 7.923 -0.575 1
1 59 . 5 1 1 A 9 9 CYS HA H 9 4.422 4.606 -0.184 1
1 62 . 5 1 1 A 9 9 CYS C C 9 173.399 173.464 -0.065 1
1 63 . 5 1 1 A 9 9 CYS CA C 9 51.850 56.334 -4.484 1
1 64 . 5 1 1 A 9 9 CYS CB C 9 38.617 43.035 -4.418 1
1 65 . 5 1 1 A 9 9 CYS N N 9 109.798 116.837 -7.039 1
1 66 . 5 1 1 A 10 10 VAL H H 10 7.682 7.359 0.323 1
1 67 . 5 1 1 A 10 10 VAL HA H 10 4.483 4.371 0.112 1
1 75 . 5 1 1 A 10 10 VAL C C 10 172.261 174.359 -2.098 1
1 76 . 5 1 1 A 10 10 VAL CA C 10 60.360 60.578 -0.218 1
1 77 . 5 1 1 A 10 10 VAL CB C 10 29.445 33.292 -3.847 1
1 80 . 5 1 1 A 10 10 VAL N N 10 125.088 118.076 7.012 1
1 81 . 5 1 1 A 11 11 GLU H H 11 8.322 8.953 -0.631 1
1 82 . 5 1 1 A 11 11 GLU HA H 11 4.644 4.879 -0.235 1
1 87 . 5 1 1 A 11 11 GLU C C 11 172.004 174.770 -2.766 1
1 88 . 5 1 1 A 11 11 GLU CA C 11 51.852 54.527 -2.675 1
1 89 . 5 1 1 A 11 11 GLU CB C 11 31.925 33.407 -1.482 1
1 91 . 5 1 1 A 11 11 GLU N N 11 124.099 124.754 -0.655 1
1 92 . 5 1 1 A 12 12 TYR H H 12 7.843 8.593 -0.750 1
1 93 . 5 1 1 A 12 12 TYR HA H 12 5.697 6.165 -0.468 1
1 100 . 5 1 1 A 12 12 TYR C C 12 172.281 174.095 -1.814 1
1 101 . 5 1 1 A 12 12 TYR CA C 12 53.160 55.908 -2.748 1
1 102 . 5 1 1 A 12 12 TYR CB C 12 40.610 41.015 -0.405 1
1 103 . 5 1 1 A 12 12 TYR N N 12 115.283 125.561 -10.278 1
1 104 . 5 1 1 A 13 13 PHE H H 13 9.057 8.819 0.238 1
1 105 . 5 1 1 A 13 13 PHE HA H 13 4.750 5.097 -0.347 1
1 106 . 5 1 1 A 13 13 PHE C C 13 170.766 173.211 -2.445 1
1 107 . 5 1 1 A 13 13 PHE CA C 13 54.815 56.998 -2.183 1
1 108 . 5 1 1 A 13 13 PHE CB C 13 39.947 43.177 -3.230 1
1 109 . 5 1 1 A 13 13 PHE N N 13 119.347 120.206 -0.859 1
1 110 . 5 1 1 A 14 14 GLN HA H 14 5.302 4.742 0.560 1
1 113 . 5 1 1 A 14 14 GLN CA C 14 53.700 54.396 -0.696 1
1 114 . 5 1 1 A 14 14 GLN CB C 14 30.685 29.871 0.814 1
1 115 . 5 1 1 A 15 15 SER H H 15 8.657 8.971 -0.314 1
1 116 . 5 1 1 A 15 15 SER HA H 15 4.715 4.359 0.356 1
1 117 . 5 1 1 A 15 15 SER C C 15 172.296 173.973 -1.677 1
1 118 . 5 1 1 A 15 15 SER CA C 15 54.708 56.459 -1.751 1
1 119 . 5 1 1 A 15 15 SER CB C 15 64.456 63.186 1.270 1
1 120 . 5 1 1 A 15 15 SER N N 15 119.667 120.827 -1.160 1
1 121 . 5 1 1 A 17 17 ARG HA H 17 3.413 4.543 -1.130 1
1 124 . 5 1 1 A 17 17 ARG CA C 17 55.648 55.531 0.117 1
1 125 . 5 1 1 A 17 17 ARG CB C 17 29.496 30.602 -1.106 1
1 126 . 5 1 1 A 18 18 TYR H H 18 6.870 7.760 -0.890 1
1 127 . 5 1 1 A 18 18 TYR HA H 18 5.233 5.127 0.106 1
1 134 . 5 1 1 A 18 18 TYR C C 18 174.107 174.196 -0.089 1
1 135 . 5 1 1 A 18 18 TYR CA C 18 54.231 56.503 -2.272 1
1 136 . 5 1 1 A 18 18 TYR CB C 18 40.725 39.923 0.802 1
1 137 . 5 1 1 A 18 18 TYR N N 18 114.525 121.395 -6.870 1
1 138 . 5 1 1 A 19 19 THR H H 19 8.684 9.150 -0.466 1
1 139 . 5 1 1 A 19 19 THR HA H 19 5.061 5.273 -0.212 1
1 144 . 5 1 1 A 19 19 THR C C 19 173.054 173.421 -0.367 1
1 145 . 5 1 1 A 19 19 THR CA C 19 60.704 62.791 -2.087 1
1 146 . 5 1 1 A 19 19 THR CB C 19 67.997 68.428 -0.431 1
1 148 . 5 1 1 A 19 19 THR N N 19 119.368 123.814 -4.446 1
1 149 . 5 1 1 A 20 20 ASP H H 20 8.975 8.688 0.287 1
1 150 . 5 1 1 A 20 20 ASP HA H 20 5.690 4.754 0.936 1
1 153 . 5 1 1 A 20 20 ASP C C 20 171.832 174.506 -2.674 1
1 154 . 5 1 1 A 20 20 ASP CA C 20 52.039 52.719 -0.680 1
1 155 . 5 1 1 A 20 20 ASP CB C 20 42.292 40.722 1.570 1
1 156 . 5 1 1 A 20 20 ASP N N 20 128.307 126.941 1.366 1
1 157 . 5 1 1 A 21 21 VAL H H 21 9.496 8.319 1.177 1
1 158 . 5 1 1 A 21 21 VAL HA H 21 4.775 4.705 0.070 1
1 166 . 5 1 1 A 21 21 VAL C C 21 173.611 174.422 -0.811 1
1 167 . 5 1 1 A 21 21 VAL CA C 21 59.478 60.571 -1.093 1
1 168 . 5 1 1 A 21 21 VAL CB C 21 32.243 33.664 -1.421 1
1 171 . 5 1 1 A 21 21 VAL N N 21 123.356 125.246 -1.890 1
1 172 . 5 1 1 A 22 22 HIS H H 22 8.973 8.539 0.434 1
1 173 . 5 1 1 A 22 22 HIS HA H 22 4.622 6.047 -1.425 1
1 177 . 5 1 1 A 22 22 HIS C C 22 171.626 173.728 -2.102 1
1 178 . 5 1 1 A 22 22 HIS CA C 22 49.980 54.488 -4.508 1
1 179 . 5 1 1 A 22 22 HIS CB C 22 28.390 31.687 -3.297 1
1 180 . 5 1 1 A 22 22 HIS N N 22 124.534 127.186 -2.652 1
1 181 . 5 1 1 A 23 23 ASN H H 23 8.317 8.981 -0.664 1
1 182 . 5 1 1 A 23 23 ASN HA H 23 4.517 4.773 -0.256 1
1 185 . 5 1 1 A 23 23 ASN C C 23 171.836 176.067 -4.231 1
1 186 . 5 1 1 A 23 23 ASN CA C 23 49.380 53.498 -4.118 1
1 187 . 5 1 1 A 23 23 ASN CB C 23 36.018 40.034 -4.016 1
1 188 . 5 1 1 A 23 23 ASN N N 23 123.095 123.671 -0.576 1
1 189 . 5 1 1 A 24 24 GLY H H 24 7.602 8.372 -0.770 1
1 190 . 5 1 1 A 24 24 GLY HA2 H 24 4.051 4.230 -0.179 1
1 191 . 5 1 1 A 24 24 GLY HA3 H 24 3.381 4.232 -0.851 1
1 192 . 5 1 1 A 24 24 GLY C C 24 171.684 175.227 -3.543 1
1 193 . 5 1 1 A 24 24 GLY CA C 24 42.936 45.692 -2.756 1
1 194 . 5 1 1 A 24 24 GLY N N 24 113.217 109.905 3.312 1
1 195 . 5 1 1 A 25 25 CYS H H 25 8.145 8.022 0.123 1
1 196 . 5 1 1 A 25 25 CYS HA H 25 4.544 4.624 -0.080 1
1 199 . 5 1 1 A 25 25 CYS C C 25 172.305 173.678 -1.373 1
1 200 . 5 1 1 A 25 25 CYS CA C 25 50.790 57.085 -6.295 1
1 201 . 5 1 1 A 25 25 CYS CB C 25 39.528 42.808 -3.280 1
1 202 . 5 1 1 A 25 25 CYS N N 25 119.843 118.862 0.981 1
1 203 . 5 1 1 A 26 26 ALA H H 26 8.111 7.929 0.182 1
1 204 . 5 1 1 A 26 26 ALA HA H 26 4.084 4.033 0.051 1
1 208 . 5 1 1 A 26 26 ALA C C 26 172.481 175.482 -3.001 1
1 209 . 5 1 1 A 26 26 ALA CA C 26 50.950 54.248 -3.298 1
1 210 . 5 1 1 A 26 26 ALA CB C 26 17.251 18.076 -0.825 1
1 211 . 5 1 1 A 26 26 ALA N N 26 119.852 122.193 -2.341 1
1 212 . 5 1 1 A 27 27 ASP H H 27 6.938 7.622 -0.684 1
1 213 . 5 1 1 A 27 27 ASP HA H 27 4.787 5.240 -0.453 1
1 216 . 5 1 1 A 27 27 ASP C C 27 174.263 174.578 -0.315 1
1 217 . 5 1 1 A 27 27 ASP CA C 27 49.550 52.076 -2.526 1
1 218 . 5 1 1 A 27 27 ASP CB C 27 42.250 44.159 -1.909 1
1 219 . 5 1 1 A 27 27 ASP N N 27 113.761 116.100 -2.339 1
1 220 . 5 1 1 A 28 28 ALA H H 28 8.454 8.381 0.073 1
1 221 . 5 1 1 A 28 28 ALA HA H 28 3.986 5.023 -1.037 1
1 225 . 5 1 1 A 28 28 ALA C C 28 173.188 177.588 -4.400 1
1 226 . 5 1 1 A 28 28 ALA CA C 28 50.550 52.339 -1.789 1
1 227 . 5 1 1 A 28 28 ALA CB C 28 16.820 18.983 -2.163 1
1 228 . 5 1 1 A 28 28 ALA N N 28 121.635 123.163 -1.528 1
1 229 . 5 1 1 A 29 29 VAL H H 29 7.742 8.406 -0.664 1
1 230 . 5 1 1 A 29 29 VAL HA H 29 4.553 4.858 -0.305 1
1 238 . 5 1 1 A 29 29 VAL C C 29 174.826 174.241 0.585 1
1 239 . 5 1 1 A 29 29 VAL CA C 29 57.140 59.168 -2.028 1
1 240 . 5 1 1 A 29 29 VAL CB C 29 33.000 35.187 -2.187 1
1 243 . 5 1 1 A 29 29 VAL N N 29 113.732 118.180 -4.448 1
1 244 . 5 1 1 A 30 30 SER H H 30 8.101 8.841 -0.740 1
1 245 . 5 1 1 A 30 30 SER HA H 30 5.338 4.889 0.449 1
1 248 . 5 1 1 A 30 30 SER C C 30 171.613 174.436 -2.823 1
1 249 . 5 1 1 A 30 30 SER CA C 30 54.310 58.254 -3.944 1
1 250 . 5 1 1 A 30 30 SER CB C 30 62.237 63.886 -1.649 1
1 251 . 5 1 1 A 30 30 SER N N 30 118.729 120.909 -2.180 1
1 252 . 5 1 1 A 31 31 VAL H H 31 8.780 9.648 -0.868 1
1 253 . 5 1 1 A 31 31 VAL HA H 31 5.146 4.970 0.176 1
1 261 . 5 1 1 A 31 31 VAL C C 31 172.831 174.162 -1.331 1
1 262 . 5 1 1 A 31 31 VAL CA C 31 56.940 59.301 -2.361 1
1 263 . 5 1 1 A 31 31 VAL CB C 31 35.030 34.455 0.575 1
1 266 . 5 1 1 A 31 31 VAL N N 31 119.018 120.434 -1.416 1
1 267 . 5 1 1 A 32 32 THR H H 32 8.366 9.680 -1.314 1
1 268 . 5 1 1 A 32 32 THR HA H 32 4.498 4.840 -0.342 1
1 273 . 5 1 1 A 32 32 THR C C 32 171.480 172.606 -1.126 1
1 274 . 5 1 1 A 32 32 THR CA C 32 57.100 59.677 -2.577 1
1 275 . 5 1 1 A 32 32 THR CB C 32 67.767 72.216 -4.449 1
1 277 . 5 1 1 A 32 32 THR N N 32 115.885 119.101 -3.216 1
1 278 . 5 1 1 A 33 33 VAL H H 33 6.720 8.485 -1.765 1
1 279 . 5 1 1 A 33 33 VAL HA H 33 3.950 4.903 -0.953 1
1 287 . 5 1 1 A 33 33 VAL C C 33 169.808 173.253 -3.445 1
1 288 . 5 1 1 A 33 33 VAL CA C 33 57.990 59.450 -1.460 1
1 289 . 5 1 1 A 33 33 VAL CB C 33 32.331 34.392 -2.061 1
1 292 . 5 1 1 A 33 33 VAL N N 33 119.716 121.348 -1.632 1
1 293 . 5 1 1 A 34 34 GLU H H 34 7.670 9.176 -1.506 1
1 294 . 5 1 1 A 34 34 GLU HA H 34 4.187 4.645 -0.458 1
1 297 . 5 1 1 A 34 34 GLU C C 34 171.032 174.968 -3.936 1
1 298 . 5 1 1 A 34 34 GLU CA C 34 51.930 54.222 -2.292 1
1 299 . 5 1 1 A 34 34 GLU CB C 34 29.430 30.987 -1.557 1
1 300 . 5 1 1 A 34 34 GLU N N 34 123.182 125.411 -2.229 1
1 301 . 5 1 1 A 35 35 TYR H H 35 8.500 8.814 -0.314 1
1 302 . 5 1 1 A 35 35 TYR HA H 35 4.646 5.041 -0.395 1
1 309 . 5 1 1 A 35 35 TYR C C 35 172.817 177.283 -4.466 1
1 310 . 5 1 1 A 35 35 TYR CA C 35 55.880 57.923 -2.043 1
1 311 . 5 1 1 A 35 35 TYR CB C 35 38.300 40.318 -2.018 1
1 312 . 5 1 1 A 35 35 TYR N N 35 122.953 125.843 -2.890 1
1 313 . 5 1 1 A 36 36 THR H H 36 8.295 9.303 -1.008 1
1 314 . 5 1 1 A 36 36 THR HA H 36 3.731 3.939 -0.208 1
1 319 . 5 1 1 A 36 36 THR C C 36 175.873 174.750 1.123 1
1 320 . 5 1 1 A 36 36 THR CA C 36 65.169 66.153 -0.984 1
1 321 . 5 1 1 A 36 36 THR CB C 36 67.700 68.997 -1.297 1
1 323 . 5 1 1 A 36 36 THR N N 36 119.739 117.074 2.665 1
1 324 . 5 1 1 A 37 37 HIS H H 37 8.755 8.046 0.709 1
1 325 . 5 1 1 A 37 37 HIS HA H 37 4.807 4.728 0.079 1
1 329 . 5 1 1 A 37 37 HIS C C 37 173.381 176.300 -2.919 1
1 330 . 5 1 1 A 37 37 HIS CA C 37 53.412 57.550 -4.138 1
1 331 . 5 1 1 A 37 37 HIS CB C 37 27.137 31.401 -4.264 1
1 332 . 5 1 1 A 37 37 HIS N N 37 115.916 116.991 -1.075 1
1 333 . 5 1 1 A 38 38 GLY H H 38 7.856 7.645 0.211 1
1 334 . 5 1 1 A 38 38 GLY HA2 H 38 4.091 4.139 -0.048 1
1 335 . 5 1 1 A 38 38 GLY HA3 H 38 3.795 4.196 -0.401 1
1 336 . 5 1 1 A 38 38 GLY C C 38 174.479 174.454 0.025 1
1 337 . 5 1 1 A 38 38 GLY CA C 38 43.935 45.352 -1.417 1
1 338 . 5 1 1 A 38 38 GLY N N 38 106.387 103.952 2.435 1
1 339 . 5 1 1 A 39 39 GLN H H 39 8.096 7.600 0.496 1
1 340 . 5 1 1 A 39 39 GLN HA H 39 4.239 4.273 -0.034 1
1 345 . 5 1 1 A 39 39 GLN C C 39 171.748 175.369 -3.621 1
1 346 . 5 1 1 A 39 39 GLN CA C 39 55.050 56.327 -1.277 1
1 347 . 5 1 1 A 39 39 GLN CB C 39 26.580 28.568 -1.988 1
1 349 . 5 1 1 A 39 39 GLN N N 39 119.846 120.629 -0.783 1
1 350 . 5 1 1 A 40 40 TRP H H 40 8.286 8.703 -0.417 1
1 351 . 5 1 1 A 40 40 TRP HA H 40 4.961 4.681 0.280 1
1 358 . 5 1 1 A 40 40 TRP C C 40 172.966 175.826 -2.860 1
1 359 . 5 1 1 A 40 40 TRP CA C 40 55.210 58.300 -3.090 1
1 360 . 5 1 1 A 40 40 TRP CB C 40 28.161 29.725 -1.564 1
1 361 . 5 1 1 A 40 40 TRP N N 40 121.182 127.525 -6.343 1
1 363 . 5 1 1 A 41 41 ALA H H 41 7.947 8.457 -0.510 1
1 364 . 5 1 1 A 41 41 ALA HA H 41 4.641 4.156 0.485 1
1 368 . 5 1 1 A 41 41 ALA C C 41 174.070 177.114 -3.044 1
1 369 . 5 1 1 A 41 41 ALA CA C 41 47.995 53.078 -5.083 1
1 370 . 5 1 1 A 41 41 ALA CB C 41 18.627 21.085 -2.458 1
1 371 . 5 1 1 A 41 41 ALA N N 41 126.752 128.876 -2.124 1
1 372 . 5 1 1 A 42 42 PRO HA H 42 4.240 4.115 0.125 1
1 377 . 5 1 1 A 42 42 PRO CA C 42 60.853 62.361 -1.508 1
1 378 . 5 1 1 A 42 42 PRO CB C 42 30.203 29.262 0.941 1
1 379 . 5 1 1 A 43 43 CYS H H 43 8.229 8.645 -0.416 1
1 380 . 5 1 1 A 43 43 CYS HA H 43 4.643 5.099 -0.456 1
1 383 . 5 1 1 A 43 43 CYS C C 43 173.099 171.803 1.296 1
1 384 . 5 1 1 A 43 43 CYS CA C 43 53.574 56.066 -2.492 1
1 385 . 5 1 1 A 43 43 CYS CB C 43 39.464 44.773 -5.309 1
1 386 . 5 1 1 A 43 43 CYS N N 43 119.646 121.447 -1.801 1
1 387 . 5 1 1 A 44 44 ARG H H 44 8.931 9.461 -0.530 1
1 388 . 5 1 1 A 44 44 ARG HA H 44 4.653 4.735 -0.082 1
1 395 . 5 1 1 A 44 44 ARG C C 44 172.821 174.720 -1.899 1
1 396 . 5 1 1 A 44 44 ARG CA C 44 51.850 55.225 -3.375 1
1 397 . 5 1 1 A 44 44 ARG CB C 44 30.892 33.682 -2.790 1
1 400 . 5 1 1 A 44 44 ARG N N 44 128.546 128.406 0.140 1
1 401 . 5 1 1 A 45 45 VAL H H 45 8.242 8.626 -0.384 1
1 402 . 5 1 1 A 45 45 VAL HA H 45 4.625 4.584 0.041 1
1 410 . 5 1 1 A 45 45 VAL C C 45 172.339 175.228 -2.889 1
1 411 . 5 1 1 A 45 45 VAL CA C 45 59.800 62.397 -2.597 1
1 412 . 5 1 1 A 45 45 VAL CB C 45 29.914 32.970 -3.056 1
1 415 . 5 1 1 A 45 45 VAL N N 45 123.347 125.199 -1.852 1
1 416 . 5 1 1 A 46 46 ILE H H 46 9.161 9.398 -0.237 1
1 417 . 5 1 1 A 46 46 ILE HA H 46 4.241 4.669 -0.428 1
1 427 . 5 1 1 A 46 46 ILE C C 46 174.656 175.839 -1.183 1
1 428 . 5 1 1 A 46 46 ILE CA C 46 58.660 59.986 -1.326 1
1 429 . 5 1 1 A 46 46 ILE CB C 46 37.551 39.660 -2.109 1
1 432 . 5 1 1 A 46 46 ILE N N 46 128.086 128.931 -0.845 1
1 433 . 5 1 1 A 47 47 GLU H H 47 9.214 8.604 0.610 1
1 434 . 5 1 1 A 47 47 GLU HA H 47 4.182 4.705 -0.523 1
1 439 . 5 1 1 A 47 47 GLU C C 47 174.413 174.801 -0.388 1
1 440 . 5 1 1 A 47 47 GLU CA C 47 53.820 54.535 -0.715 1
1 441 . 5 1 1 A 47 47 GLU CB C 47 25.600 29.186 -3.586 1
1 443 . 5 1 1 A 47 47 GLU N N 47 129.614 126.571 3.043 1
1 444 . 5 1 1 A 48 48 PRO HA H 48 3.872 4.301 -0.429 1
1 451 . 5 1 1 A 48 48 PRO CA C 48 62.770 63.829 -1.059 1
1 452 . 5 1 1 A 48 48 PRO CB C 48 29.241 31.347 -2.106 1
1 455 . 5 1 1 A 49 49 GLY H H 49 8.330 8.548 -0.218 1
1 456 . 5 1 1 A 49 49 GLY HA2 H 49 4.140 3.984 0.156 1
1 457 . 5 1 1 A 49 49 GLY HA3 H 49 3.702 4.025 -0.323 1
1 458 . 5 1 1 A 49 49 GLY C C 49 176.101 174.587 1.514 1
1 459 . 5 1 1 A 49 49 GLY CA C 49 43.930 45.496 -1.566 1
1 460 . 5 1 1 A 49 49 GLY N N 49 115.617 113.059 2.558 1
1 461 . 5 1 1 A 50 50 GLY H H 50 8.496 8.620 -0.124 1
1 462 . 5 1 1 A 50 50 GLY HA2 H 50 4.374 4.108 0.266 1
1 463 . 5 1 1 A 50 50 GLY HA3 H 50 3.614 4.128 -0.514 1
1 464 . 5 1 1 A 50 50 GLY C C 50 172.758 173.667 -0.909 1
1 465 . 5 1 1 A 50 50 GLY CA C 50 42.550 44.295 -1.745 1
1 466 . 5 1 1 A 50 50 GLY N N 50 108.129 108.299 -0.170 1
1 467 . 5 1 1 A 51 51 TRP H H 51 8.184 8.749 -0.565 1
1 468 . 5 1 1 A 51 51 TRP HA H 51 5.778 6.508 -0.730 1
1 475 . 5 1 1 A 51 51 TRP C C 51 170.134 175.580 -5.446 1
1 476 . 5 1 1 A 51 51 TRP CA C 51 53.820 55.867 -2.047 1
1 477 . 5 1 1 A 51 51 TRP CB C 51 30.930 33.765 -2.835 1
1 478 . 5 1 1 A 51 51 TRP N N 51 117.328 120.396 -3.068 1
1 480 . 5 1 1 A 52 52 ALA H H 52 9.354 8.908 0.446 1
1 481 . 5 1 1 A 52 52 ALA HA H 52 4.654 4.931 -0.277 1
1 485 . 5 1 1 A 52 52 ALA C C 52 174.350 175.373 -1.023 1
1 486 . 5 1 1 A 52 52 ALA CA C 52 49.250 50.994 -1.744 1
1 487 . 5 1 1 A 52 52 ALA CB C 52 20.971 21.327 -0.356 1
1 488 . 5 1 1 A 52 52 ALA N N 52 122.785 123.094 -0.309 1
1 489 . 5 1 1 A 53 53 THR H H 53 8.059 8.424 -0.365 1
1 490 . 5 1 1 A 53 53 THR HA H 53 5.251 4.453 0.798 1
1 495 . 5 1 1 A 53 53 THR C C 53 173.703 173.508 0.195 1
1 496 . 5 1 1 A 53 53 THR CA C 53 60.321 62.302 -1.981 1
1 497 . 5 1 1 A 53 53 THR CB C 53 69.150 69.176 -0.026 1
1 499 . 5 1 1 A 53 53 THR N N 53 115.813 117.919 -2.106 1
1 500 . 5 1 1 A 54 54 PHE H H 54 9.370 8.306 1.064 1
1 501 . 5 1 1 A 54 54 PHE HA H 54 4.827 4.905 -0.078 1
1 508 . 5 1 1 A 54 54 PHE C C 54 171.593 174.944 -3.351 1
1 509 . 5 1 1 A 54 54 PHE CA C 54 53.813 56.475 -2.662 1
1 510 . 5 1 1 A 54 54 PHE CB C 54 40.556 43.006 -2.450 1
1 511 . 5 1 1 A 54 54 PHE N N 54 125.684 123.835 1.849 1
1 512 . 5 1 1 A 55 55 ALA H H 55 8.706 8.652 0.054 1
1 513 . 5 1 1 A 55 55 ALA HA H 55 4.362 4.414 -0.052 1
1 517 . 5 1 1 A 55 55 ALA C C 55 173.468 177.641 -4.173 1
1 518 . 5 1 1 A 55 55 ALA CA C 55 52.010 51.994 0.016 1
1 519 . 5 1 1 A 55 55 ALA CB C 55 16.740 18.658 -1.918 1
1 520 . 5 1 1 A 55 55 ALA N N 55 124.175 126.082 -1.907 1
1 521 . 5 1 1 A 56 56 GLY H H 56 7.517 8.694 -1.177 1
1 522 . 5 1 1 A 56 56 GLY HA2 H 56 4.252 4.202 0.050 1
1 523 . 5 1 1 A 56 56 GLY HA3 H 56 3.339 4.237 -0.898 1
1 524 . 5 1 1 A 56 56 GLY C C 56 178.583 173.293 5.290 1
1 525 . 5 1 1 A 56 56 GLY CA C 56 42.282 44.529 -2.247 1
1 526 . 5 1 1 A 56 56 GLY N N 56 110.256 110.685 -0.429 1
1 527 . 5 1 1 A 57 57 TYR H H 57 7.154 9.175 -2.021 1
1 528 . 5 1 1 A 57 57 TYR HA H 57 4.516 5.152 -0.636 1
1 535 . 5 1 1 A 57 57 TYR C C 57 170.587 176.694 -6.107 1
1 536 . 5 1 1 A 57 57 TYR CA C 57 55.130 56.811 -1.681 1
1 537 . 5 1 1 A 57 57 TYR CB C 57 36.127 38.004 -1.877 1
1 538 . 5 1 1 A 57 57 TYR N N 57 113.618 117.929 -4.311 1
1 539 . 5 1 1 A 58 58 GLY H H 58 8.498 8.523 -0.025 1
1 540 . 5 1 1 A 58 58 GLY HA2 H 58 3.946 3.847 0.099 1
1 541 . 5 1 1 A 58 58 GLY HA3 H 58 3.420 3.854 -0.434 1
1 542 . 5 1 1 A 58 58 GLY C C 58 175.193 175.299 -0.106 1
1 543 . 5 1 1 A 58 58 GLY CA C 58 43.806 47.412 -3.606 1
1 544 . 5 1 1 A 58 58 GLY N N 58 109.549 111.318 -1.769 1
1 545 . 5 1 1 A 59 59 THR H H 59 8.301 7.704 0.597 1
1 546 . 5 1 1 A 59 59 THR HA H 59 4.277 4.563 -0.286 1
1 547 . 5 1 1 A 59 59 THR C C 59 172.318 174.439 -2.121 1
1 548 . 5 1 1 A 59 59 THR CA C 59 60.637 62.231 -1.594 1
1 549 . 5 1 1 A 59 59 THR CB C 59 67.412 70.139 -2.727 1
1 550 . 5 1 1 A 59 59 THR N N 59 111.031 108.582 2.449 1
1 551 . 5 1 1 A 60 60 ASP H H 60 8.414 7.922 0.492 1
1 552 . 5 1 1 A 60 60 ASP HA H 60 4.679 5.041 -0.362 1
1 555 . 5 1 1 A 60 60 ASP C C 60 173.345 174.953 -1.608 1
1 556 . 5 1 1 A 60 60 ASP CA C 60 51.030 53.009 -1.979 1
1 557 . 5 1 1 A 60 60 ASP CB C 60 38.608 44.573 -5.965 1
1 558 . 5 1 1 A 60 60 ASP N N 60 120.007 119.640 0.367 1
1 559 . 5 1 1 A 61 61 GLY H H 61 7.967 8.366 -0.399 1
1 560 . 5 1 1 A 61 61 GLY HA2 H 61 3.550 4.036 -0.486 1
1 561 . 5 1 1 A 61 61 GLY HA3 H 61 2.879 4.098 -1.219 1
1 562 . 5 1 1 A 61 61 GLY C C 61 175.339 173.411 1.928 1
1 563 . 5 1 1 A 61 61 GLY CA C 61 44.956 44.434 0.522 1
1 564 . 5 1 1 A 61 61 GLY N N 61 108.692 107.976 0.716 1
1 565 . 5 1 1 A 62 62 ASN H H 62 8.507 8.366 0.141 1
1 566 . 5 1 1 A 62 62 ASN HA H 62 4.455 5.321 -0.866 1
1 571 . 5 1 1 A 62 62 ASN C C 62 172.217 174.058 -1.841 1
1 572 . 5 1 1 A 62 62 ASN CA C 62 48.627 54.170 -5.543 1
1 573 . 5 1 1 A 62 62 ASN CB C 62 34.339 39.036 -4.697 1
1 574 . 5 1 1 A 62 62 ASN N N 62 120.625 121.742 -1.117 1
1 576 . 5 1 1 A 63 63 TYR H H 63 6.994 8.867 -1.873 1
1 577 . 5 1 1 A 63 63 TYR HA H 63 4.477 5.272 -0.795 1
1 580 . 5 1 1 A 63 63 TYR C C 63 172.042 174.369 -2.327 1
1 581 . 5 1 1 A 63 63 TYR CA C 63 56.210 57.081 -0.871 1
1 582 . 5 1 1 A 63 63 TYR CB C 63 36.755 41.330 -4.575 1
1 583 . 5 1 1 A 63 63 TYR N N 63 116.333 123.940 -7.607 1
1 584 . 5 1 1 A 64 64 VAL H H 64 8.841 8.932 -0.091 1
1 585 . 5 1 1 A 64 64 VAL HA H 64 3.689 3.689 0.000 1
1 593 . 5 1 1 A 64 64 VAL C C 64 175.531 174.657 0.874 1
1 594 . 5 1 1 A 64 64 VAL CA C 64 61.550 62.975 -1.425 1
1 595 . 5 1 1 A 64 64 VAL CB C 64 30.583 31.484 -0.901 1
1 598 . 5 1 1 A 64 64 VAL N N 64 123.889 127.533 -3.644 1
1 599 . 5 1 1 A 65 65 THR H H 65 8.850 8.552 0.298 1
1 600 . 5 1 1 A 65 65 THR HA H 65 4.210 4.252 -0.042 1
1 605 . 5 1 1 A 65 65 THR C C 65 175.388 173.547 1.841 1
1 606 . 5 1 1 A 65 65 THR CA C 65 60.109 61.271 -1.162 1
1 607 . 5 1 1 A 65 65 THR CB C 65 66.710 70.560 -3.850 1
1 609 . 5 1 1 A 65 65 THR N N 65 119.739 122.178 -2.439 1
1 610 . 5 1 1 A 66 66 GLY H H 66 6.907 7.108 -0.201 1
1 611 . 5 1 1 A 66 66 GLY HA2 H 66 3.769 4.197 -0.428 1
1 612 . 5 1 1 A 66 66 GLY HA3 H 66 3.583 4.228 -0.645 1
1 613 . 5 1 1 A 66 66 GLY C C 66 173.131 171.949 1.182 1
1 614 . 5 1 1 A 66 66 GLY CA C 66 42.950 45.108 -2.158 1
1 615 . 5 1 1 A 66 66 GLY N N 66 108.712 109.888 -1.176 1
1 616 . 5 1 1 A 67 67 LEU H H 67 7.723 8.818 -1.095 1
1 617 . 5 1 1 A 67 67 LEU HA H 67 4.628 4.841 -0.213 1
1 626 . 5 1 1 A 67 67 LEU C C 67 167.522 176.145 -8.623 1
1 627 . 5 1 1 A 67 67 LEU CA C 67 51.200 54.843 -3.643 1
1 628 . 5 1 1 A 67 67 LEU CB C 67 42.747 42.307 0.440 1
1 631 . 5 1 1 A 67 67 LEU N N 67 118.448 127.504 -9.056 1
1 632 . 5 1 1 A 68 68 HIS H H 68 8.003 9.636 -1.633 1
1 633 . 5 1 1 A 68 68 HIS HA H 68 4.890 4.996 -0.106 1
1 637 . 5 1 1 A 68 68 HIS C C 68 174.161 174.150 0.011 1
1 638 . 5 1 1 A 68 68 HIS CA C 68 52.180 54.119 -1.939 1
1 639 . 5 1 1 A 68 68 HIS CB C 68 31.877 33.483 -1.606 1
1 640 . 5 1 1 A 68 68 HIS N N 68 116.650 121.577 -4.927 1
1 641 . 5 1 1 A 69 69 THR H H 69 8.515 8.726 -0.211 1
1 642 . 5 1 1 A 69 69 THR HA H 69 4.808 4.266 0.542 1
1 647 . 5 1 1 A 69 69 THR C C 69 172.511 174.080 -1.569 1
1 648 . 5 1 1 A 69 69 THR CA C 69 60.130 62.954 -2.824 1
1 649 . 5 1 1 A 69 69 THR CB C 69 67.840 68.853 -1.013 1
1 651 . 5 1 1 A 69 69 THR N N 69 114.721 118.214 -3.493 1
1 652 . 5 1 1 A 70 70 CYS H H 70 7.731 9.488 -1.757 1
1 653 . 5 1 1 A 70 70 CYS HA H 70 4.786 4.677 0.109 1
1 656 . 5 1 1 A 70 70 CYS C C 70 172.053 172.972 -0.919 1
1 657 . 5 1 1 A 70 70 CYS CA C 70 51.950 55.368 -3.418 1
1 658 . 5 1 1 A 70 70 CYS CB C 70 43.320 44.274 -0.954 1
1 659 . 5 1 1 A 70 70 CYS N N 70 117.575 126.446 -8.871 1
1 660 . 5 1 1 A 71 71 ASP H H 71 8.370 8.979 -0.609 1
1 661 . 5 1 1 A 71 71 ASP HA H 71 4.993 5.270 -0.277 1
1 664 . 5 1 1 A 71 71 ASP C C 71 169.692 174.068 -4.376 1
1 665 . 5 1 1 A 71 71 ASP CA C 71 48.815 51.172 -2.357 1
1 666 . 5 1 1 A 71 71 ASP CB C 71 40.118 43.497 -3.379 1
1 667 . 5 1 1 A 71 71 ASP N N 71 120.975 121.530 -0.555 1
1 668 . 5 1 1 A 72 72 PRO HA H 72 4.145 4.426 -0.281 1
1 675 . 5 1 1 A 72 72 PRO CA C 72 61.360 62.776 -1.416 1
1 676 . 5 1 1 A 72 72 PRO CB C 72 30.141 30.653 -0.512 1
1 679 . 5 1 1 A 73 73 ALA H H 73 8.169 8.164 0.005 1
1 680 . 5 1 1 A 73 73 ALA HA H 73 4.247 4.609 -0.362 1
1 684 . 5 1 1 A 73 73 ALA C C 73 174.353 176.141 -1.788 1
1 685 . 5 1 1 A 73 73 ALA CA C 73 50.370 51.891 -1.521 1
1 686 . 5 1 1 A 73 73 ALA CB C 73 17.230 19.189 -1.959 1
1 687 . 5 1 1 A 73 73 ALA N N 73 122.390 125.115 -2.725 1
1 688 . 5 1 1 A 74 74 THR H H 74 7.704 8.631 -0.927 1
1 689 . 5 1 1 A 74 74 THR C C 74 175.770 173.635 2.135 1
1 690 . 5 1 1 A 74 74 THR CA C 74 57.794 60.096 -2.302 1
1 691 . 5 1 1 A 74 74 THR CB C 74 67.994 69.051 -1.057 1
1 692 . 5 1 1 A 74 74 THR N N 74 114.834 115.344 -0.510 1
1 693 . 5 1 1 A 75 75 PRO HA H 75 4.386 4.871 -0.485 1
1 700 . 5 1 1 A 75 75 PRO CA C 75 61.440 62.228 -0.788 1
1 701 . 5 1 1 A 75 75 PRO CB C 75 30.088 29.101 0.987 1
1 704 . 5 1 1 A 76 76 SER H H 76 8.209 8.888 -0.679 1
1 705 . 5 1 1 A 76 76 SER HA H 76 4.373 4.454 -0.081 1
1 708 . 5 1 1 A 76 76 SER C C 76 175.051 174.387 0.664 1
1 709 . 5 1 1 A 76 76 SER CA C 76 56.360 59.294 -2.934 1
1 710 . 5 1 1 A 76 76 SER CB C 76 61.939 64.377 -2.438 1
1 711 . 5 1 1 A 76 76 SER N N 76 115.319 118.785 -3.466 1
1 712 . 5 1 1 A 77 77 GLY H H 77 8.124 7.604 0.520 1
1 713 . 5 1 1 A 77 77 GLY HA2 H 77 4.093 4.103 -0.010 1
1 714 . 5 1 1 A 77 77 GLY HA3 H 77 3.577 4.134 -0.557 1
1 715 . 5 1 1 A 77 77 GLY C C 77 173.087 172.599 0.488 1
1 716 . 5 1 1 A 77 77 GLY CA C 77 43.555 44.573 -1.018 1
1 717 . 5 1 1 A 77 77 GLY N N 77 110.791 108.778 2.013 1
1 3 . 6 1 1 A 1 1 ALA HA H 5 4.015 4.487 -0.472 1
1 7 . 6 1 1 A 2 2 THR H H 6 7.608 8.498 -0.890 1
1 8 . 6 1 1 A 2 2 THR C C 2 174.815 173.793 1.022 1
1 9 . 6 1 1 A 2 2 THR CA C 2 56.801 61.584 -4.783 1
1 10 . 6 1 1 A 2 2 THR CB C 2 68.857 68.157 0.700 1
1 11 . 6 1 1 A 2 2 THR N N 6 113.279 123.063 -9.784 1
1 12 . 6 1 1 A 5 5 PRO HA H 5 4.493 4.487 0.006 1
1 19 . 6 1 1 A 5 5 PRO CA C 5 61.290 62.969 -1.679 1
1 20 . 6 1 1 A 5 5 PRO CB C 5 30.190 31.331 -1.141 1
1 23 . 6 1 1 A 6 6 VAL H H 6 7.794 8.498 -0.704 1
1 24 . 6 1 1 A 6 6 VAL HA H 6 3.880 4.217 -0.337 1
1 32 . 6 1 1 A 6 6 VAL C C 6 175.059 174.485 0.574 1
1 33 . 6 1 1 A 6 6 VAL CA C 6 59.560 63.868 -4.308 1
1 34 . 6 1 1 A 6 6 VAL CB C 6 30.680 30.299 0.381 1
1 37 . 6 1 1 A 6 6 VAL N N 6 118.616 123.063 -4.447 1
1 38 . 6 1 1 A 7 7 ALA H H 7 8.029 8.476 -0.447 1
1 39 . 6 1 1 A 7 7 ALA HA H 7 4.167 4.391 -0.224 1
1 43 . 6 1 1 A 7 7 ALA C C 7 173.395 177.127 -3.732 1
1 44 . 6 1 1 A 7 7 ALA CA C 7 50.780 52.084 -1.304 1
1 45 . 6 1 1 A 7 7 ALA CB C 7 18.292 21.240 -2.948 1
1 46 . 6 1 1 A 7 7 ALA N N 7 126.653 122.332 4.321 1
1 47 . 6 1 1 A 8 8 GLU H H 8 8.587 8.885 -0.298 1
1 48 . 6 1 1 A 8 8 GLU HA H 8 4.085 4.010 0.075 1
1 53 . 6 1 1 A 8 8 GLU C C 8 176.717 178.079 -1.362 1
1 54 . 6 1 1 A 8 8 GLU CA C 8 56.520 58.768 -2.248 1
1 55 . 6 1 1 A 8 8 GLU CB C 8 27.393 28.976 -1.583 1
1 57 . 6 1 1 A 8 8 GLU N N 8 118.049 123.318 -5.269 1
1 58 . 6 1 1 A 9 9 CYS H H 9 7.348 7.864 -0.516 1
1 59 . 6 1 1 A 9 9 CYS HA H 9 4.422 4.652 -0.230 1
1 62 . 6 1 1 A 9 9 CYS C C 9 173.399 173.558 -0.159 1
1 63 . 6 1 1 A 9 9 CYS CA C 9 51.850 56.773 -4.923 1
1 64 . 6 1 1 A 9 9 CYS CB C 9 38.617 43.271 -4.654 1
1 65 . 6 1 1 A 9 9 CYS N N 9 109.798 116.981 -7.183 1
1 66 . 6 1 1 A 10 10 VAL H H 10 7.682 7.639 0.043 1
1 67 . 6 1 1 A 10 10 VAL HA H 10 4.483 4.509 -0.026 1
1 75 . 6 1 1 A 10 10 VAL C C 10 172.261 175.003 -2.742 1
1 76 . 6 1 1 A 10 10 VAL CA C 10 60.360 61.568 -1.208 1
1 77 . 6 1 1 A 10 10 VAL CB C 10 29.445 33.115 -3.670 1
1 80 . 6 1 1 A 10 10 VAL N N 10 125.088 120.612 4.476 1
1 81 . 6 1 1 A 11 11 GLU H H 11 8.322 8.868 -0.546 1
1 82 . 6 1 1 A 11 11 GLU HA H 11 4.644 4.804 -0.160 1
1 87 . 6 1 1 A 11 11 GLU C C 11 172.004 174.656 -2.652 1
1 88 . 6 1 1 A 11 11 GLU CA C 11 51.852 54.604 -2.752 1
1 89 . 6 1 1 A 11 11 GLU CB C 11 31.925 33.244 -1.319 1
1 91 . 6 1 1 A 11 11 GLU N N 11 124.099 126.905 -2.806 1
1 92 . 6 1 1 A 12 12 TYR H H 12 7.843 8.473 -0.630 1
1 93 . 6 1 1 A 12 12 TYR HA H 12 5.697 6.305 -0.608 1
1 100 . 6 1 1 A 12 12 TYR C C 12 172.281 173.953 -1.672 1
1 101 . 6 1 1 A 12 12 TYR CA C 12 53.160 55.753 -2.593 1
1 102 . 6 1 1 A 12 12 TYR CB C 12 40.610 41.296 -0.686 1
1 103 . 6 1 1 A 12 12 TYR N N 12 115.283 125.238 -9.955 1
1 104 . 6 1 1 A 13 13 PHE H H 13 9.057 8.962 0.095 1
1 105 . 6 1 1 A 13 13 PHE HA H 13 4.750 5.363 -0.613 1
1 106 . 6 1 1 A 13 13 PHE C C 13 170.766 173.395 -2.629 1
1 107 . 6 1 1 A 13 13 PHE CA C 13 54.815 56.879 -2.064 1
1 108 . 6 1 1 A 13 13 PHE CB C 13 39.947 43.138 -3.191 1
1 109 . 6 1 1 A 13 13 PHE N N 13 119.347 120.648 -1.301 1
1 110 . 6 1 1 A 14 14 GLN HA H 14 5.302 4.774 0.528 1
1 113 . 6 1 1 A 14 14 GLN CA C 14 53.700 54.521 -0.821 1
1 114 . 6 1 1 A 14 14 GLN CB C 14 30.685 30.350 0.335 1
1 115 . 6 1 1 A 15 15 SER H H 15 8.657 8.862 -0.205 1
1 116 . 6 1 1 A 15 15 SER HA H 15 4.715 4.625 0.090 1
1 117 . 6 1 1 A 15 15 SER C C 15 172.296 174.373 -2.077 1
1 118 . 6 1 1 A 15 15 SER CA C 15 54.708 57.301 -2.593 1
1 119 . 6 1 1 A 15 15 SER CB C 15 64.456 65.493 -1.037 1
1 120 . 6 1 1 A 15 15 SER N N 15 119.667 120.619 -0.952 1
1 121 . 6 1 1 A 17 17 ARG HA H 17 3.413 3.787 -0.374 1
1 124 . 6 1 1 A 17 17 ARG CA C 17 55.648 57.131 -1.483 1
1 125 . 6 1 1 A 17 17 ARG CB C 17 29.496 27.016 2.480 1
1 126 . 6 1 1 A 18 18 TYR H H 18 6.870 7.612 -0.742 1
1 127 . 6 1 1 A 18 18 TYR HA H 18 5.233 4.888 0.345 1
1 134 . 6 1 1 A 18 18 TYR C C 18 174.107 174.446 -0.339 1
1 135 . 6 1 1 A 18 18 TYR CA C 18 54.231 57.902 -3.671 1
1 136 . 6 1 1 A 18 18 TYR CB C 18 40.725 40.197 0.528 1
1 137 . 6 1 1 A 18 18 TYR N N 18 114.525 118.831 -4.306 1
1 138 . 6 1 1 A 19 19 THR H H 19 8.684 9.129 -0.445 1
1 139 . 6 1 1 A 19 19 THR HA H 19 5.061 5.112 -0.051 1
1 144 . 6 1 1 A 19 19 THR C C 19 173.054 173.320 -0.266 1
1 145 . 6 1 1 A 19 19 THR CA C 19 60.704 62.671 -1.967 1
1 146 . 6 1 1 A 19 19 THR CB C 19 67.997 68.324 -0.327 1
1 148 . 6 1 1 A 19 19 THR N N 19 119.368 123.776 -4.408 1
1 149 . 6 1 1 A 20 20 ASP H H 20 8.975 8.579 0.396 1
1 150 . 6 1 1 A 20 20 ASP HA H 20 5.690 4.783 0.907 1
1 153 . 6 1 1 A 20 20 ASP C C 20 171.832 174.641 -2.809 1
1 154 . 6 1 1 A 20 20 ASP CA C 20 52.039 52.669 -0.630 1
1 155 . 6 1 1 A 20 20 ASP CB C 20 42.292 40.650 1.642 1
1 156 . 6 1 1 A 20 20 ASP N N 20 128.307 126.700 1.607 1
1 157 . 6 1 1 A 21 21 VAL H H 21 9.496 8.354 1.142 1
1 158 . 6 1 1 A 21 21 VAL HA H 21 4.775 4.887 -0.112 1
1 166 . 6 1 1 A 21 21 VAL C C 21 173.611 174.579 -0.968 1
1 167 . 6 1 1 A 21 21 VAL CA C 21 59.478 60.652 -1.174 1
1 168 . 6 1 1 A 21 21 VAL CB C 21 32.243 33.446 -1.203 1
1 171 . 6 1 1 A 21 21 VAL N N 21 123.356 124.871 -1.515 1
1 172 . 6 1 1 A 22 22 HIS H H 22 8.973 8.726 0.247 1
1 173 . 6 1 1 A 22 22 HIS HA H 22 4.622 5.934 -1.312 1
1 177 . 6 1 1 A 22 22 HIS C C 22 171.626 173.792 -2.166 1
1 178 . 6 1 1 A 22 22 HIS CA C 22 49.980 54.499 -4.519 1
1 179 . 6 1 1 A 22 22 HIS CB C 22 28.390 31.479 -3.089 1
1 180 . 6 1 1 A 22 22 HIS N N 22 124.534 127.030 -2.496 1
1 181 . 6 1 1 A 23 23 ASN H H 23 8.317 9.126 -0.809 1
1 182 . 6 1 1 A 23 23 ASN HA H 23 4.517 4.878 -0.361 1
1 185 . 6 1 1 A 23 23 ASN C C 23 171.836 175.815 -3.979 1
1 186 . 6 1 1 A 23 23 ASN CA C 23 49.380 53.376 -3.996 1
1 187 . 6 1 1 A 23 23 ASN CB C 23 36.018 39.994 -3.976 1
1 188 . 6 1 1 A 23 23 ASN N N 23 123.095 124.230 -1.135 1
1 189 . 6 1 1 A 24 24 GLY H H 24 7.602 8.613 -1.011 1
1 190 . 6 1 1 A 24 24 GLY HA2 H 24 4.051 4.267 -0.216 1
1 191 . 6 1 1 A 24 24 GLY HA3 H 24 3.381 4.271 -0.890 1
1 192 . 6 1 1 A 24 24 GLY C C 24 171.684 175.063 -3.379 1
1 193 . 6 1 1 A 24 24 GLY CA C 24 42.936 45.760 -2.824 1
1 194 . 6 1 1 A 24 24 GLY N N 24 113.217 109.425 3.792 1
1 195 . 6 1 1 A 25 25 CYS H H 25 8.145 8.040 0.105 1
1 196 . 6 1 1 A 25 25 CYS HA H 25 4.544 4.785 -0.241 1
1 199 . 6 1 1 A 25 25 CYS C C 25 172.305 173.553 -1.248 1
1 200 . 6 1 1 A 25 25 CYS CA C 25 50.790 56.496 -5.706 1
1 201 . 6 1 1 A 25 25 CYS CB C 25 39.528 43.304 -3.776 1
1 202 . 6 1 1 A 25 25 CYS N N 25 119.843 117.307 2.536 1
1 203 . 6 1 1 A 26 26 ALA H H 26 8.111 7.940 0.171 1
1 204 . 6 1 1 A 26 26 ALA HA H 26 4.084 4.033 0.051 1
1 208 . 6 1 1 A 26 26 ALA C C 26 172.481 175.471 -2.990 1
1 209 . 6 1 1 A 26 26 ALA CA C 26 50.950 54.249 -3.299 1
1 210 . 6 1 1 A 26 26 ALA CB C 26 17.251 18.013 -0.762 1
1 211 . 6 1 1 A 26 26 ALA N N 26 119.852 122.195 -2.343 1
1 212 . 6 1 1 A 27 27 ASP H H 27 6.938 7.626 -0.688 1
1 213 . 6 1 1 A 27 27 ASP HA H 27 4.787 5.253 -0.466 1
1 216 . 6 1 1 A 27 27 ASP C C 27 174.263 174.426 -0.163 1
1 217 . 6 1 1 A 27 27 ASP CA C 27 49.550 52.176 -2.626 1
1 218 . 6 1 1 A 27 27 ASP CB C 27 42.250 44.096 -1.846 1
1 219 . 6 1 1 A 27 27 ASP N N 27 113.761 116.129 -2.368 1
1 220 . 6 1 1 A 28 28 ALA H H 28 8.454 8.425 0.029 1
1 221 . 6 1 1 A 28 28 ALA HA H 28 3.986 4.918 -0.932 1
1 225 . 6 1 1 A 28 28 ALA C C 28 173.188 177.655 -4.467 1
1 226 . 6 1 1 A 28 28 ALA CA C 28 50.550 52.365 -1.815 1
1 227 . 6 1 1 A 28 28 ALA CB C 28 16.820 19.105 -2.285 1
1 228 . 6 1 1 A 28 28 ALA N N 28 121.635 123.938 -2.303 1
1 229 . 6 1 1 A 29 29 VAL H H 29 7.742 8.447 -0.705 1
1 230 . 6 1 1 A 29 29 VAL HA H 29 4.553 4.842 -0.289 1
1 238 . 6 1 1 A 29 29 VAL C C 29 174.826 174.139 0.687 1
1 239 . 6 1 1 A 29 29 VAL CA C 29 57.140 59.250 -2.110 1
1 240 . 6 1 1 A 29 29 VAL CB C 29 33.000 35.258 -2.258 1
1 243 . 6 1 1 A 29 29 VAL N N 29 113.732 117.989 -4.257 1
1 244 . 6 1 1 A 30 30 SER H H 30 8.101 8.798 -0.697 1
1 245 . 6 1 1 A 30 30 SER HA H 30 5.338 5.039 0.299 1
1 248 . 6 1 1 A 30 30 SER C C 30 171.613 174.379 -2.766 1
1 249 . 6 1 1 A 30 30 SER CA C 30 54.310 58.047 -3.737 1
1 250 . 6 1 1 A 30 30 SER CB C 30 62.237 63.955 -1.718 1
1 251 . 6 1 1 A 30 30 SER N N 30 118.729 120.772 -2.043 1
1 252 . 6 1 1 A 31 31 VAL H H 31 8.780 9.504 -0.724 1
1 253 . 6 1 1 A 31 31 VAL HA H 31 5.146 5.162 -0.016 1
1 261 . 6 1 1 A 31 31 VAL C C 31 172.831 174.305 -1.474 1
1 262 . 6 1 1 A 31 31 VAL CA C 31 56.940 59.779 -2.839 1
1 263 . 6 1 1 A 31 31 VAL CB C 31 35.030 34.771 0.259 1
1 266 . 6 1 1 A 31 31 VAL N N 31 119.018 120.552 -1.534 1
1 267 . 6 1 1 A 32 32 THR H H 32 8.366 8.869 -0.503 1
1 268 . 6 1 1 A 32 32 THR HA H 32 4.498 4.698 -0.200 1
1 273 . 6 1 1 A 32 32 THR C C 32 171.480 172.537 -1.057 1
1 274 . 6 1 1 A 32 32 THR CA C 32 57.100 60.477 -3.377 1
1 275 . 6 1 1 A 32 32 THR CB C 32 67.767 70.786 -3.019 1
1 277 . 6 1 1 A 32 32 THR N N 32 115.885 116.266 -0.381 1
1 278 . 6 1 1 A 33 33 VAL H H 33 6.720 8.458 -1.738 1
1 279 . 6 1 1 A 33 33 VAL HA H 33 3.950 5.237 -1.287 1
1 287 . 6 1 1 A 33 33 VAL C C 33 169.808 173.235 -3.427 1
1 288 . 6 1 1 A 33 33 VAL CA C 33 57.990 58.814 -0.824 1
1 289 . 6 1 1 A 33 33 VAL CB C 33 32.331 34.757 -2.426 1
1 292 . 6 1 1 A 33 33 VAL N N 33 119.716 120.760 -1.044 1
1 293 . 6 1 1 A 34 34 GLU H H 34 7.670 9.070 -1.400 1
1 294 . 6 1 1 A 34 34 GLU HA H 34 4.187 4.637 -0.450 1
1 297 . 6 1 1 A 34 34 GLU C C 34 171.032 175.009 -3.977 1
1 298 . 6 1 1 A 34 34 GLU CA C 34 51.930 54.162 -2.232 1
1 299 . 6 1 1 A 34 34 GLU CB C 34 29.430 31.871 -2.441 1
1 300 . 6 1 1 A 34 34 GLU N N 34 123.182 123.974 -0.792 1
1 301 . 6 1 1 A 35 35 TYR H H 35 8.500 8.813 -0.313 1
1 302 . 6 1 1 A 35 35 TYR HA H 35 4.646 4.981 -0.335 1
1 309 . 6 1 1 A 35 35 TYR C C 35 172.817 177.361 -4.544 1
1 310 . 6 1 1 A 35 35 TYR CA C 35 55.880 57.886 -2.006 1
1 311 . 6 1 1 A 35 35 TYR CB C 35 38.300 40.411 -2.111 1
1 312 . 6 1 1 A 35 35 TYR N N 35 122.953 125.640 -2.687 1
1 313 . 6 1 1 A 36 36 THR H H 36 8.295 9.280 -0.985 1
1 314 . 6 1 1 A 36 36 THR HA H 36 3.731 3.945 -0.214 1
1 319 . 6 1 1 A 36 36 THR C C 36 175.873 174.994 0.879 1
1 320 . 6 1 1 A 36 36 THR CA C 36 65.169 66.335 -1.166 1
1 321 . 6 1 1 A 36 36 THR CB C 36 67.700 68.930 -1.230 1
1 323 . 6 1 1 A 36 36 THR N N 36 119.739 117.056 2.683 1
1 324 . 6 1 1 A 37 37 HIS H H 37 8.755 7.835 0.920 1
1 325 . 6 1 1 A 37 37 HIS HA H 37 4.807 4.663 0.144 1
1 329 . 6 1 1 A 37 37 HIS C C 37 173.381 176.096 -2.715 1
1 330 . 6 1 1 A 37 37 HIS CA C 37 53.412 57.617 -4.205 1
1 331 . 6 1 1 A 37 37 HIS CB C 37 27.137 30.720 -3.583 1
1 332 . 6 1 1 A 37 37 HIS N N 37 115.916 115.914 0.002 1
1 333 . 6 1 1 A 38 38 GLY H H 38 7.856 7.533 0.323 1
1 334 . 6 1 1 A 38 38 GLY HA2 H 38 4.091 4.131 -0.040 1
1 335 . 6 1 1 A 38 38 GLY HA3 H 38 3.795 4.228 -0.433 1
1 336 . 6 1 1 A 38 38 GLY C C 38 174.479 174.668 -0.189 1
1 337 . 6 1 1 A 38 38 GLY CA C 38 43.935 45.353 -1.418 1
1 338 . 6 1 1 A 38 38 GLY N N 38 106.387 104.173 2.214 1
1 339 . 6 1 1 A 39 39 GLN H H 39 8.096 7.563 0.533 1
1 340 . 6 1 1 A 39 39 GLN HA H 39 4.239 4.289 -0.050 1
1 345 . 6 1 1 A 39 39 GLN C C 39 171.748 175.436 -3.688 1
1 346 . 6 1 1 A 39 39 GLN CA C 39 55.050 56.091 -1.041 1
1 347 . 6 1 1 A 39 39 GLN CB C 39 26.580 28.873 -2.293 1
1 349 . 6 1 1 A 39 39 GLN N N 39 119.846 120.624 -0.778 1
1 350 . 6 1 1 A 40 40 TRP H H 40 8.286 8.669 -0.383 1
1 351 . 6 1 1 A 40 40 TRP HA H 40 4.961 4.667 0.294 1
1 358 . 6 1 1 A 40 40 TRP C C 40 172.966 175.984 -3.018 1
1 359 . 6 1 1 A 40 40 TRP CA C 40 55.210 58.232 -3.022 1
1 360 . 6 1 1 A 40 40 TRP CB C 40 28.161 29.758 -1.597 1
1 361 . 6 1 1 A 40 40 TRP N N 40 121.182 127.334 -6.152 1
1 363 . 6 1 1 A 41 41 ALA H H 41 7.947 8.498 -0.551 1
1 364 . 6 1 1 A 41 41 ALA HA H 41 4.641 4.204 0.437 1
1 368 . 6 1 1 A 41 41 ALA C C 41 174.070 177.157 -3.087 1
1 369 . 6 1 1 A 41 41 ALA CA C 41 47.995 53.130 -5.135 1
1 370 . 6 1 1 A 41 41 ALA CB C 41 18.627 21.167 -2.540 1
1 371 . 6 1 1 A 41 41 ALA N N 41 126.752 129.395 -2.643 1
1 372 . 6 1 1 A 42 42 PRO HA H 42 4.240 4.078 0.162 1
1 377 . 6 1 1 A 42 42 PRO CA C 42 60.853 62.373 -1.520 1
1 378 . 6 1 1 A 42 42 PRO CB C 42 30.203 29.359 0.844 1
1 379 . 6 1 1 A 43 43 CYS H H 43 8.229 8.257 -0.028 1
1 380 . 6 1 1 A 43 43 CYS HA H 43 4.643 5.230 -0.587 1
1 383 . 6 1 1 A 43 43 CYS C C 43 173.099 171.648 1.451 1
1 384 . 6 1 1 A 43 43 CYS CA C 43 53.574 56.874 -3.300 1
1 385 . 6 1 1 A 43 43 CYS CB C 43 39.464 45.758 -6.294 1
1 386 . 6 1 1 A 43 43 CYS N N 43 119.646 121.944 -2.298 1
1 387 . 6 1 1 A 44 44 ARG H H 44 8.931 9.662 -0.731 1
1 388 . 6 1 1 A 44 44 ARG HA H 44 4.653 4.964 -0.311 1
1 395 . 6 1 1 A 44 44 ARG C C 44 172.821 174.753 -1.932 1
1 396 . 6 1 1 A 44 44 ARG CA C 44 51.850 54.450 -2.600 1
1 397 . 6 1 1 A 44 44 ARG CB C 44 30.892 33.943 -3.051 1
1 400 . 6 1 1 A 44 44 ARG N N 44 128.546 124.631 3.915 1
1 401 . 6 1 1 A 45 45 VAL H H 45 8.242 8.625 -0.383 1
1 402 . 6 1 1 A 45 45 VAL HA H 45 4.625 4.583 0.042 1
1 410 . 6 1 1 A 45 45 VAL C C 45 172.339 175.049 -2.710 1
1 411 . 6 1 1 A 45 45 VAL CA C 45 59.800 62.315 -2.515 1
1 412 . 6 1 1 A 45 45 VAL CB C 45 29.914 33.068 -3.154 1
1 415 . 6 1 1 A 45 45 VAL N N 45 123.347 125.684 -2.337 1
1 416 . 6 1 1 A 46 46 ILE H H 46 9.161 9.402 -0.241 1
1 417 . 6 1 1 A 46 46 ILE HA H 46 4.241 4.744 -0.503 1
1 427 . 6 1 1 A 46 46 ILE C C 46 174.656 175.577 -0.921 1
1 428 . 6 1 1 A 46 46 ILE CA C 46 58.660 59.836 -1.176 1
1 429 . 6 1 1 A 46 46 ILE CB C 46 37.551 39.779 -2.228 1
1 432 . 6 1 1 A 46 46 ILE N N 46 128.086 128.537 -0.451 1
1 433 . 6 1 1 A 47 47 GLU H H 47 9.214 8.641 0.573 1
1 434 . 6 1 1 A 47 47 GLU HA H 47 4.182 4.712 -0.530 1
1 439 . 6 1 1 A 47 47 GLU C C 47 174.413 174.863 -0.450 1
1 440 . 6 1 1 A 47 47 GLU CA C 47 53.820 54.426 -0.606 1
1 441 . 6 1 1 A 47 47 GLU CB C 47 25.600 29.319 -3.719 1
1 443 . 6 1 1 A 47 47 GLU N N 47 129.614 126.408 3.206 1
1 444 . 6 1 1 A 48 48 PRO HA H 48 3.872 4.332 -0.460 1
1 451 . 6 1 1 A 48 48 PRO CA C 48 62.770 63.833 -1.063 1
1 452 . 6 1 1 A 48 48 PRO CB C 48 29.241 31.351 -2.110 1
1 455 . 6 1 1 A 49 49 GLY H H 49 8.330 8.515 -0.185 1
1 456 . 6 1 1 A 49 49 GLY HA2 H 49 4.140 3.971 0.169 1
1 457 . 6 1 1 A 49 49 GLY HA3 H 49 3.702 4.014 -0.312 1
1 458 . 6 1 1 A 49 49 GLY C C 49 176.101 174.396 1.705 1
1 459 . 6 1 1 A 49 49 GLY CA C 49 43.930 45.419 -1.489 1
1 460 . 6 1 1 A 49 49 GLY N N 49 115.617 113.075 2.542 1
1 461 . 6 1 1 A 50 50 GLY H H 50 8.496 8.777 -0.281 1
1 462 . 6 1 1 A 50 50 GLY HA2 H 50 4.374 4.096 0.278 1
1 463 . 6 1 1 A 50 50 GLY HA3 H 50 3.614 4.123 -0.509 1
1 464 . 6 1 1 A 50 50 GLY C C 50 172.758 173.664 -0.906 1
1 465 . 6 1 1 A 50 50 GLY CA C 50 42.550 44.289 -1.739 1
1 466 . 6 1 1 A 50 50 GLY N N 50 108.129 108.219 -0.090 1
1 467 . 6 1 1 A 51 51 TRP H H 51 8.184 8.755 -0.571 1
1 468 . 6 1 1 A 51 51 TRP HA H 51 5.778 6.410 -0.632 1
1 475 . 6 1 1 A 51 51 TRP C C 51 170.134 175.507 -5.373 1
1 476 . 6 1 1 A 51 51 TRP CA C 51 53.820 55.872 -2.052 1
1 477 . 6 1 1 A 51 51 TRP CB C 51 30.930 33.734 -2.804 1
1 478 . 6 1 1 A 51 51 TRP N N 51 117.328 120.418 -3.090 1
1 480 . 6 1 1 A 52 52 ALA H H 52 9.354 9.003 0.351 1
1 481 . 6 1 1 A 52 52 ALA HA H 52 4.654 4.887 -0.233 1
1 485 . 6 1 1 A 52 52 ALA C C 52 174.350 175.510 -1.160 1
1 486 . 6 1 1 A 52 52 ALA CA C 52 49.250 50.917 -1.667 1
1 487 . 6 1 1 A 52 52 ALA CB C 52 20.971 21.097 -0.126 1
1 488 . 6 1 1 A 52 52 ALA N N 52 122.785 123.092 -0.307 1
1 489 . 6 1 1 A 53 53 THR H H 53 8.059 8.454 -0.395 1
1 490 . 6 1 1 A 53 53 THR HA H 53 5.251 4.472 0.779 1
1 495 . 6 1 1 A 53 53 THR C C 53 173.703 173.979 -0.276 1
1 496 . 6 1 1 A 53 53 THR CA C 53 60.321 62.504 -2.183 1
1 497 . 6 1 1 A 53 53 THR CB C 53 69.150 69.087 0.063 1
1 499 . 6 1 1 A 53 53 THR N N 53 115.813 118.194 -2.381 1
1 500 . 6 1 1 A 54 54 PHE H H 54 9.370 8.742 0.628 1
1 501 . 6 1 1 A 54 54 PHE HA H 54 4.827 4.887 -0.060 1
1 508 . 6 1 1 A 54 54 PHE C C 54 171.593 175.005 -3.412 1
1 509 . 6 1 1 A 54 54 PHE CA C 54 53.813 56.585 -2.772 1
1 510 . 6 1 1 A 54 54 PHE CB C 54 40.556 43.098 -2.542 1
1 511 . 6 1 1 A 54 54 PHE N N 54 125.684 124.051 1.633 1
1 512 . 6 1 1 A 55 55 ALA H H 55 8.706 8.740 -0.034 1
1 513 . 6 1 1 A 55 55 ALA HA H 55 4.362 4.216 0.146 1
1 517 . 6 1 1 A 55 55 ALA C C 55 173.468 178.086 -4.618 1
1 518 . 6 1 1 A 55 55 ALA CA C 55 52.010 52.428 -0.418 1
1 519 . 6 1 1 A 55 55 ALA CB C 55 16.740 19.208 -2.468 1
1 520 . 6 1 1 A 55 55 ALA N N 55 124.175 126.188 -2.013 1
1 521 . 6 1 1 A 56 56 GLY H H 56 7.517 8.749 -1.232 1
1 522 . 6 1 1 A 56 56 GLY HA2 H 56 4.252 4.102 0.150 1
1 523 . 6 1 1 A 56 56 GLY HA3 H 56 3.339 4.207 -0.868 1
1 524 . 6 1 1 A 56 56 GLY C C 56 178.583 173.148 5.435 1
1 525 . 6 1 1 A 56 56 GLY CA C 56 42.282 44.651 -2.369 1
1 526 . 6 1 1 A 56 56 GLY N N 56 110.256 110.670 -0.414 1
1 527 . 6 1 1 A 57 57 TYR H H 57 7.154 8.932 -1.778 1
1 528 . 6 1 1 A 57 57 TYR HA H 57 4.516 5.415 -0.899 1
1 535 . 6 1 1 A 57 57 TYR C C 57 170.587 175.751 -5.164 1
1 536 . 6 1 1 A 57 57 TYR CA C 57 55.130 57.605 -2.475 1
1 537 . 6 1 1 A 57 57 TYR CB C 57 36.127 37.583 -1.456 1
1 538 . 6 1 1 A 57 57 TYR N N 57 113.618 118.840 -5.222 1
1 539 . 6 1 1 A 58 58 GLY H H 58 8.498 8.257 0.241 1
1 540 . 6 1 1 A 58 58 GLY HA2 H 58 3.946 3.967 -0.021 1
1 541 . 6 1 1 A 58 58 GLY HA3 H 58 3.420 3.993 -0.573 1
1 542 . 6 1 1 A 58 58 GLY C C 58 175.193 174.504 0.689 1
1 543 . 6 1 1 A 58 58 GLY CA C 58 43.806 45.924 -2.118 1
1 544 . 6 1 1 A 58 58 GLY N N 58 109.549 110.119 -0.570 1
1 545 . 6 1 1 A 59 59 THR H H 59 8.301 8.022 0.279 1
1 546 . 6 1 1 A 59 59 THR HA H 59 4.277 4.241 0.036 1
1 547 . 6 1 1 A 59 59 THR C C 59 172.318 174.776 -2.458 1
1 548 . 6 1 1 A 59 59 THR CA C 59 60.637 63.858 -3.221 1
1 549 . 6 1 1 A 59 59 THR CB C 59 67.412 68.427 -1.015 1
1 550 . 6 1 1 A 59 59 THR N N 59 111.031 115.732 -4.701 1
1 551 . 6 1 1 A 60 60 ASP H H 60 8.414 9.532 -1.118 1
1 552 . 6 1 1 A 60 60 ASP HA H 60 4.679 4.286 0.393 1
1 555 . 6 1 1 A 60 60 ASP C C 60 173.345 176.250 -2.905 1
1 556 . 6 1 1 A 60 60 ASP CA C 60 51.030 55.303 -4.273 1
1 557 . 6 1 1 A 60 60 ASP CB C 60 38.608 39.236 -0.628 1
1 558 . 6 1 1 A 60 60 ASP N N 60 120.007 127.757 -7.750 1
1 559 . 6 1 1 A 61 61 GLY H H 61 7.967 8.547 -0.580 1
1 560 . 6 1 1 A 61 61 GLY HA2 H 61 3.550 3.979 -0.429 1
1 561 . 6 1 1 A 61 61 GLY HA3 H 61 2.879 3.984 -1.105 1
1 562 . 6 1 1 A 61 61 GLY C C 61 175.339 174.378 0.961 1
1 563 . 6 1 1 A 61 61 GLY CA C 61 44.956 46.036 -1.080 1
1 564 . 6 1 1 A 61 61 GLY N N 61 108.692 104.993 3.699 1
1 565 . 6 1 1 A 62 62 ASN H H 62 8.507 8.181 0.326 1
1 566 . 6 1 1 A 62 62 ASN HA H 62 4.455 5.103 -0.648 1
1 571 . 6 1 1 A 62 62 ASN C C 62 172.217 174.151 -1.934 1
1 572 . 6 1 1 A 62 62 ASN CA C 62 48.627 53.145 -4.518 1
1 573 . 6 1 1 A 62 62 ASN CB C 62 34.339 39.441 -5.102 1
1 574 . 6 1 1 A 62 62 ASN N N 62 120.625 119.773 0.852 1
1 576 . 6 1 1 A 63 63 TYR H H 63 6.994 9.004 -2.010 1
1 577 . 6 1 1 A 63 63 TYR HA H 63 4.477 5.414 -0.937 1
1 580 . 6 1 1 A 63 63 TYR C C 63 172.042 174.647 -2.605 1
1 581 . 6 1 1 A 63 63 TYR CA C 63 56.210 55.492 0.718 1
1 582 . 6 1 1 A 63 63 TYR CB C 63 36.755 41.708 -4.953 1
1 583 . 6 1 1 A 63 63 TYR N N 63 116.333 125.228 -8.895 1
1 584 . 6 1 1 A 64 64 VAL H H 64 8.841 8.755 0.086 1
1 585 . 6 1 1 A 64 64 VAL HA H 64 3.689 3.748 -0.059 1
1 593 . 6 1 1 A 64 64 VAL C C 64 175.531 175.625 -0.094 1
1 594 . 6 1 1 A 64 64 VAL CA C 64 61.550 62.557 -1.007 1
1 595 . 6 1 1 A 64 64 VAL CB C 64 30.583 31.784 -1.201 1
1 598 . 6 1 1 A 64 64 VAL N N 64 123.889 127.342 -3.453 1
1 599 . 6 1 1 A 65 65 THR H H 65 8.850 9.217 -0.367 1
1 600 . 6 1 1 A 65 65 THR HA H 65 4.210 4.324 -0.114 1
1 605 . 6 1 1 A 65 65 THR C C 65 175.388 174.837 0.551 1
1 606 . 6 1 1 A 65 65 THR CA C 65 60.109 61.081 -0.972 1
1 607 . 6 1 1 A 65 65 THR CB C 65 66.710 70.123 -3.413 1
1 609 . 6 1 1 A 65 65 THR N N 65 119.739 118.617 1.122 1
1 610 . 6 1 1 A 66 66 GLY H H 66 6.907 7.152 -0.245 1
1 611 . 6 1 1 A 66 66 GLY HA2 H 66 3.769 4.089 -0.320 1
1 612 . 6 1 1 A 66 66 GLY HA3 H 66 3.583 4.119 -0.536 1
1 613 . 6 1 1 A 66 66 GLY C C 66 173.131 171.367 1.764 1
1 614 . 6 1 1 A 66 66 GLY CA C 66 42.950 45.040 -2.090 1
1 615 . 6 1 1 A 66 66 GLY N N 66 108.712 108.933 -0.221 1
1 616 . 6 1 1 A 67 67 LEU H H 67 7.723 8.676 -0.953 1
1 617 . 6 1 1 A 67 67 LEU HA H 67 4.628 5.219 -0.591 1
1 626 . 6 1 1 A 67 67 LEU C C 67 167.522 175.761 -8.239 1
1 627 . 6 1 1 A 67 67 LEU CA C 67 51.200 53.170 -1.970 1
1 628 . 6 1 1 A 67 67 LEU CB C 67 42.747 43.349 -0.602 1
1 631 . 6 1 1 A 67 67 LEU N N 67 118.448 123.552 -5.104 1
1 632 . 6 1 1 A 68 68 HIS H H 68 8.003 9.680 -1.677 1
1 633 . 6 1 1 A 68 68 HIS HA H 68 4.890 4.905 -0.015 1
1 637 . 6 1 1 A 68 68 HIS C C 68 174.161 174.367 -0.206 1
1 638 . 6 1 1 A 68 68 HIS CA C 68 52.180 54.367 -2.187 1
1 639 . 6 1 1 A 68 68 HIS CB C 68 31.877 33.694 -1.817 1
1 640 . 6 1 1 A 68 68 HIS N N 68 116.650 120.777 -4.127 1
1 641 . 6 1 1 A 69 69 THR H H 69 8.515 8.754 -0.239 1
1 642 . 6 1 1 A 69 69 THR HA H 69 4.808 4.332 0.476 1
1 647 . 6 1 1 A 69 69 THR C C 69 172.511 173.986 -1.475 1
1 648 . 6 1 1 A 69 69 THR CA C 69 60.130 62.800 -2.670 1
1 649 . 6 1 1 A 69 69 THR CB C 69 67.840 69.166 -1.326 1
1 651 . 6 1 1 A 69 69 THR N N 69 114.721 116.466 -1.745 1
1 652 . 6 1 1 A 70 70 CYS H H 70 7.731 9.999 -2.268 1
1 653 . 6 1 1 A 70 70 CYS HA H 70 4.786 5.152 -0.366 1
1 656 . 6 1 1 A 70 70 CYS C C 70 172.053 173.124 -1.071 1
1 657 . 6 1 1 A 70 70 CYS CA C 70 51.950 54.752 -2.802 1
1 658 . 6 1 1 A 70 70 CYS CB C 70 43.320 44.497 -1.177 1
1 659 . 6 1 1 A 70 70 CYS N N 70 117.575 126.255 -8.680 1
1 660 . 6 1 1 A 71 71 ASP H H 71 8.370 8.867 -0.497 1
1 661 . 6 1 1 A 71 71 ASP HA H 71 4.993 5.303 -0.310 1
1 664 . 6 1 1 A 71 71 ASP C C 71 169.692 174.605 -4.913 1
1 665 . 6 1 1 A 71 71 ASP CA C 71 48.815 51.348 -2.533 1
1 666 . 6 1 1 A 71 71 ASP CB C 71 40.118 42.155 -2.037 1
1 667 . 6 1 1 A 71 71 ASP N N 71 120.975 122.175 -1.200 1
1 668 . 6 1 1 A 72 72 PRO HA H 72 4.145 4.424 -0.279 1
1 675 . 6 1 1 A 72 72 PRO CA C 72 61.360 62.816 -1.456 1
1 676 . 6 1 1 A 72 72 PRO CB C 72 30.141 30.625 -0.484 1
1 679 . 6 1 1 A 73 73 ALA H H 73 8.169 8.048 0.121 1
1 680 . 6 1 1 A 73 73 ALA HA H 73 4.247 4.650 -0.403 1
1 684 . 6 1 1 A 73 73 ALA C C 73 174.353 176.014 -1.661 1
1 685 . 6 1 1 A 73 73 ALA CA C 73 50.370 51.909 -1.539 1
1 686 . 6 1 1 A 73 73 ALA CB C 73 17.230 19.072 -1.842 1
1 687 . 6 1 1 A 73 73 ALA N N 73 122.390 125.233 -2.843 1
1 688 . 6 1 1 A 74 74 THR H H 74 7.704 8.887 -1.183 1
1 689 . 6 1 1 A 74 74 THR C C 74 175.770 172.842 2.928 1
1 690 . 6 1 1 A 74 74 THR CA C 74 57.794 58.686 -0.892 1
1 691 . 6 1 1 A 74 74 THR CB C 74 67.994 69.869 -1.875 1
1 692 . 6 1 1 A 74 74 THR N N 74 114.834 117.729 -2.895 1
1 693 . 6 1 1 A 75 75 PRO HA H 75 4.386 4.525 -0.139 1
1 700 . 6 1 1 A 75 75 PRO CA C 75 61.440 63.958 -2.518 1
1 701 . 6 1 1 A 75 75 PRO CB C 75 30.088 31.467 -1.379 1
1 704 . 6 1 1 A 76 76 SER H H 76 8.209 8.933 -0.724 1
1 705 . 6 1 1 A 76 76 SER HA H 76 4.373 4.447 -0.074 1
1 708 . 6 1 1 A 76 76 SER C C 76 175.051 173.478 1.573 1
1 709 . 6 1 1 A 76 76 SER CA C 76 56.360 58.657 -2.297 1
1 710 . 6 1 1 A 76 76 SER CB C 76 61.939 62.514 -0.575 1
1 711 . 6 1 1 A 76 76 SER N N 76 115.319 119.834 -4.515 1
1 712 . 6 1 1 A 77 77 GLY H H 77 8.124 8.843 -0.719 1
1 713 . 6 1 1 A 77 77 GLY HA2 H 77 4.093 4.006 0.087 1
1 714 . 6 1 1 A 77 77 GLY HA3 H 77 3.577 4.009 -0.432 1
1 715 . 6 1 1 A 77 77 GLY C C 77 173.087 173.237 -0.150 1
1 716 . 6 1 1 A 77 77 GLY CA C 77 43.555 45.919 -2.364 1
1 717 . 6 1 1 A 77 77 GLY N N 77 110.791 110.228 0.563 1
1 3 . 7 1 1 A 1 1 ALA HA H 5 4.015 4.380 -0.365 1
1 7 . 7 1 1 A 2 2 THR H H 6 7.608 7.278 0.330 1
1 8 . 7 1 1 A 2 2 THR C C 2 174.815 173.997 0.818 1
1 9 . 7 1 1 A 2 2 THR CA C 2 56.801 62.201 -5.400 1
1 10 . 7 1 1 A 2 2 THR CB C 2 68.857 67.405 1.452 1
1 11 . 7 1 1 A 2 2 THR N N 6 113.279 111.434 1.845 1
1 12 . 7 1 1 A 5 5 PRO HA H 5 4.493 4.380 0.113 1
1 19 . 7 1 1 A 5 5 PRO CA C 5 61.290 63.686 -2.396 1
1 20 . 7 1 1 A 5 5 PRO CB C 5 30.190 31.950 -1.760 1
1 23 . 7 1 1 A 6 6 VAL H H 6 7.794 7.278 0.516 1
1 24 . 7 1 1 A 6 6 VAL HA H 6 3.880 4.521 -0.641 1
1 32 . 7 1 1 A 6 6 VAL C C 6 175.059 175.597 -0.538 1
1 33 . 7 1 1 A 6 6 VAL CA C 6 59.560 59.830 -0.270 1
1 34 . 7 1 1 A 6 6 VAL CB C 6 30.680 33.521 -2.841 1
1 37 . 7 1 1 A 6 6 VAL N N 6 118.616 111.434 7.182 1
1 38 . 7 1 1 A 7 7 ALA H H 7 8.029 8.428 -0.399 1
1 39 . 7 1 1 A 7 7 ALA HA H 7 4.167 4.323 -0.156 1
1 43 . 7 1 1 A 7 7 ALA C C 7 173.395 178.302 -4.907 1
1 44 . 7 1 1 A 7 7 ALA CA C 7 50.780 51.878 -1.098 1
1 45 . 7 1 1 A 7 7 ALA CB C 7 18.292 18.680 -0.388 1
1 46 . 7 1 1 A 7 7 ALA N N 7 126.653 122.960 3.693 1
1 47 . 7 1 1 A 8 8 GLU H H 8 8.587 8.055 0.532 1
1 48 . 7 1 1 A 8 8 GLU HA H 8 4.085 3.695 0.390 1
1 53 . 7 1 1 A 8 8 GLU C C 8 176.717 177.251 -0.534 1
1 54 . 7 1 1 A 8 8 GLU CA C 8 56.520 59.044 -2.524 1
1 55 . 7 1 1 A 8 8 GLU CB C 8 27.393 27.194 0.199 1
1 57 . 7 1 1 A 8 8 GLU N N 8 118.049 111.681 6.368 1
1 58 . 7 1 1 A 9 9 CYS H H 9 7.348 8.668 -1.320 1
1 59 . 7 1 1 A 9 9 CYS HA H 9 4.422 4.481 -0.059 1
1 62 . 7 1 1 A 9 9 CYS C C 9 173.399 173.512 -0.113 1
1 63 . 7 1 1 A 9 9 CYS CA C 9 51.850 58.515 -6.665 1
1 64 . 7 1 1 A 9 9 CYS CB C 9 38.617 42.453 -3.836 1
1 65 . 7 1 1 A 9 9 CYS N N 9 109.798 118.186 -8.388 1
1 66 . 7 1 1 A 10 10 VAL H H 10 7.682 7.483 0.199 1
1 67 . 7 1 1 A 10 10 VAL HA H 10 4.483 4.411 0.072 1
1 75 . 7 1 1 A 10 10 VAL C C 10 172.261 174.622 -2.361 1
1 76 . 7 1 1 A 10 10 VAL CA C 10 60.360 60.781 -0.421 1
1 77 . 7 1 1 A 10 10 VAL CB C 10 29.445 33.285 -3.840 1
1 80 . 7 1 1 A 10 10 VAL N N 10 125.088 121.179 3.909 1
1 81 . 7 1 1 A 11 11 GLU H H 11 8.322 8.742 -0.420 1
1 82 . 7 1 1 A 11 11 GLU HA H 11 4.644 4.850 -0.206 1
1 87 . 7 1 1 A 11 11 GLU C C 11 172.004 174.806 -2.802 1
1 88 . 7 1 1 A 11 11 GLU CA C 11 51.852 54.645 -2.793 1
1 89 . 7 1 1 A 11 11 GLU CB C 11 31.925 33.278 -1.353 1
1 91 . 7 1 1 A 11 11 GLU N N 11 124.099 129.044 -4.945 1
1 92 . 7 1 1 A 12 12 TYR H H 12 7.843 8.502 -0.659 1
1 93 . 7 1 1 A 12 12 TYR HA H 12 5.697 6.326 -0.629 1
1 100 . 7 1 1 A 12 12 TYR C C 12 172.281 174.166 -1.885 1
1 101 . 7 1 1 A 12 12 TYR CA C 12 53.160 55.787 -2.627 1
1 102 . 7 1 1 A 12 12 TYR CB C 12 40.610 41.467 -0.857 1
1 103 . 7 1 1 A 12 12 TYR N N 12 115.283 125.124 -9.841 1
1 104 . 7 1 1 A 13 13 PHE H H 13 9.057 8.884 0.173 1
1 105 . 7 1 1 A 13 13 PHE HA H 13 4.750 5.119 -0.369 1
1 106 . 7 1 1 A 13 13 PHE C C 13 170.766 173.936 -3.170 1
1 107 . 7 1 1 A 13 13 PHE CA C 13 54.815 57.466 -2.651 1
1 108 . 7 1 1 A 13 13 PHE CB C 13 39.947 42.745 -2.798 1
1 109 . 7 1 1 A 13 13 PHE N N 13 119.347 120.510 -1.163 1
1 110 . 7 1 1 A 14 14 GLN HA H 14 5.302 4.665 0.637 1
1 113 . 7 1 1 A 14 14 GLN CA C 14 53.700 55.360 -1.660 1
1 114 . 7 1 1 A 14 14 GLN CB C 14 30.685 29.237 1.448 1
1 115 . 7 1 1 A 15 15 SER H H 15 8.657 9.331 -0.674 1
1 116 . 7 1 1 A 15 15 SER HA H 15 4.715 5.017 -0.302 1
1 117 . 7 1 1 A 15 15 SER C C 15 172.296 174.573 -2.277 1
1 118 . 7 1 1 A 15 15 SER CA C 15 54.708 57.084 -2.376 1
1 119 . 7 1 1 A 15 15 SER CB C 15 64.456 62.639 1.817 1
1 120 . 7 1 1 A 15 15 SER N N 15 119.667 122.572 -2.905 1
1 121 . 7 1 1 A 17 17 ARG HA H 17 3.413 4.430 -1.017 1
1 124 . 7 1 1 A 17 17 ARG CA C 17 55.648 55.449 0.199 1
1 125 . 7 1 1 A 17 17 ARG CB C 17 29.496 30.952 -1.456 1
1 126 . 7 1 1 A 18 18 TYR H H 18 6.870 7.698 -0.828 1
1 127 . 7 1 1 A 18 18 TYR HA H 18 5.233 5.064 0.169 1
1 134 . 7 1 1 A 18 18 TYR C C 18 174.107 174.308 -0.201 1
1 135 . 7 1 1 A 18 18 TYR CA C 18 54.231 56.918 -2.687 1
1 136 . 7 1 1 A 18 18 TYR CB C 18 40.725 39.954 0.771 1
1 137 . 7 1 1 A 18 18 TYR N N 18 114.525 121.197 -6.672 1
1 138 . 7 1 1 A 19 19 THR H H 19 8.684 9.190 -0.506 1
1 139 . 7 1 1 A 19 19 THR HA H 19 5.061 5.009 0.052 1
1 144 . 7 1 1 A 19 19 THR C C 19 173.054 173.330 -0.276 1
1 145 . 7 1 1 A 19 19 THR CA C 19 60.704 62.407 -1.703 1
1 146 . 7 1 1 A 19 19 THR CB C 19 67.997 68.142 -0.145 1
1 148 . 7 1 1 A 19 19 THR N N 19 119.368 123.891 -4.523 1
1 149 . 7 1 1 A 20 20 ASP H H 20 8.975 8.824 0.151 1
1 150 . 7 1 1 A 20 20 ASP HA H 20 5.690 4.754 0.936 1
1 153 . 7 1 1 A 20 20 ASP C C 20 171.832 174.625 -2.793 1
1 154 . 7 1 1 A 20 20 ASP CA C 20 52.039 52.832 -0.793 1
1 155 . 7 1 1 A 20 20 ASP CB C 20 42.292 40.534 1.758 1
1 156 . 7 1 1 A 20 20 ASP N N 20 128.307 126.622 1.685 1
1 157 . 7 1 1 A 21 21 VAL H H 21 9.496 8.345 1.151 1
1 158 . 7 1 1 A 21 21 VAL HA H 21 4.775 4.929 -0.154 1
1 166 . 7 1 1 A 21 21 VAL C C 21 173.611 174.585 -0.974 1
1 167 . 7 1 1 A 21 21 VAL CA C 21 59.478 60.822 -1.344 1
1 168 . 7 1 1 A 21 21 VAL CB C 21 32.243 33.212 -0.969 1
1 171 . 7 1 1 A 21 21 VAL N N 21 123.356 124.944 -1.588 1
1 172 . 7 1 1 A 22 22 HIS H H 22 8.973 8.738 0.235 1
1 173 . 7 1 1 A 22 22 HIS HA H 22 4.622 5.930 -1.308 1
1 177 . 7 1 1 A 22 22 HIS C C 22 171.626 173.797 -2.171 1
1 178 . 7 1 1 A 22 22 HIS CA C 22 49.980 54.519 -4.539 1
1 179 . 7 1 1 A 22 22 HIS CB C 22 28.390 31.436 -3.046 1
1 180 . 7 1 1 A 22 22 HIS N N 22 124.534 127.039 -2.505 1
1 181 . 7 1 1 A 23 23 ASN H H 23 8.317 9.126 -0.809 1
1 182 . 7 1 1 A 23 23 ASN HA H 23 4.517 4.781 -0.264 1
1 185 . 7 1 1 A 23 23 ASN C C 23 171.836 176.369 -4.533 1
1 186 . 7 1 1 A 23 23 ASN CA C 23 49.380 53.519 -4.139 1
1 187 . 7 1 1 A 23 23 ASN CB C 23 36.018 39.900 -3.882 1
1 188 . 7 1 1 A 23 23 ASN N N 23 123.095 124.595 -1.500 1
1 189 . 7 1 1 A 24 24 GLY H H 24 7.602 8.748 -1.146 1
1 190 . 7 1 1 A 24 24 GLY HA2 H 24 4.051 4.172 -0.121 1
1 191 . 7 1 1 A 24 24 GLY HA3 H 24 3.381 4.175 -0.794 1
1 192 . 7 1 1 A 24 24 GLY C C 24 171.684 174.243 -2.559 1
1 193 . 7 1 1 A 24 24 GLY CA C 24 42.936 45.589 -2.653 1
1 194 . 7 1 1 A 24 24 GLY N N 24 113.217 110.534 2.683 1
1 195 . 7 1 1 A 25 25 CYS H H 25 8.145 8.065 0.080 1
1 196 . 7 1 1 A 25 25 CYS HA H 25 4.544 4.688 -0.144 1
1 199 . 7 1 1 A 25 25 CYS C C 25 172.305 173.737 -1.432 1
1 200 . 7 1 1 A 25 25 CYS CA C 25 50.790 56.054 -5.264 1
1 201 . 7 1 1 A 25 25 CYS CB C 25 39.528 43.483 -3.955 1
1 202 . 7 1 1 A 25 25 CYS N N 25 119.843 118.425 1.418 1
1 203 . 7 1 1 A 26 26 ALA H H 26 8.111 8.678 -0.567 1
1 204 . 7 1 1 A 26 26 ALA HA H 26 4.084 4.211 -0.127 1
1 208 . 7 1 1 A 26 26 ALA C C 26 172.481 176.867 -4.386 1
1 209 . 7 1 1 A 26 26 ALA CA C 26 50.950 53.574 -2.624 1
1 210 . 7 1 1 A 26 26 ALA CB C 26 17.251 19.340 -2.089 1
1 211 . 7 1 1 A 26 26 ALA N N 26 119.852 124.683 -4.831 1
1 212 . 7 1 1 A 27 27 ASP H H 27 6.938 7.770 -0.832 1
1 213 . 7 1 1 A 27 27 ASP HA H 27 4.787 5.305 -0.518 1
1 216 . 7 1 1 A 27 27 ASP C C 27 174.263 175.015 -0.752 1
1 217 . 7 1 1 A 27 27 ASP CA C 27 49.550 52.184 -2.634 1
1 218 . 7 1 1 A 27 27 ASP CB C 27 42.250 44.009 -1.759 1
1 219 . 7 1 1 A 27 27 ASP N N 27 113.761 116.925 -3.164 1
1 220 . 7 1 1 A 28 28 ALA H H 28 8.454 8.389 0.065 1
1 221 . 7 1 1 A 28 28 ALA HA H 28 3.986 4.927 -0.941 1
1 225 . 7 1 1 A 28 28 ALA C C 28 173.188 177.625 -4.437 1
1 226 . 7 1 1 A 28 28 ALA CA C 28 50.550 52.349 -1.799 1
1 227 . 7 1 1 A 28 28 ALA CB C 28 16.820 19.036 -2.216 1
1 228 . 7 1 1 A 28 28 ALA N N 28 121.635 123.477 -1.842 1
1 229 . 7 1 1 A 29 29 VAL H H 29 7.742 8.499 -0.757 1
1 230 . 7 1 1 A 29 29 VAL HA H 29 4.553 4.854 -0.301 1
1 238 . 7 1 1 A 29 29 VAL C C 29 174.826 174.319 0.507 1
1 239 . 7 1 1 A 29 29 VAL CA C 29 57.140 59.506 -2.366 1
1 240 . 7 1 1 A 29 29 VAL CB C 29 33.000 35.071 -2.071 1
1 243 . 7 1 1 A 29 29 VAL N N 29 113.732 118.029 -4.297 1
1 244 . 7 1 1 A 30 30 SER H H 30 8.101 8.887 -0.786 1
1 245 . 7 1 1 A 30 30 SER HA H 30 5.338 4.911 0.427 1
1 248 . 7 1 1 A 30 30 SER C C 30 171.613 174.446 -2.833 1
1 249 . 7 1 1 A 30 30 SER CA C 30 54.310 58.377 -4.067 1
1 250 . 7 1 1 A 30 30 SER CB C 30 62.237 64.061 -1.824 1
1 251 . 7 1 1 A 30 30 SER N N 30 118.729 121.771 -3.042 1
1 252 . 7 1 1 A 31 31 VAL H H 31 8.780 9.746 -0.966 1
1 253 . 7 1 1 A 31 31 VAL HA H 31 5.146 5.047 0.099 1
1 261 . 7 1 1 A 31 31 VAL C C 31 172.831 174.205 -1.374 1
1 262 . 7 1 1 A 31 31 VAL CA C 31 56.940 59.290 -2.350 1
1 263 . 7 1 1 A 31 31 VAL CB C 31 35.030 34.847 0.183 1
1 266 . 7 1 1 A 31 31 VAL N N 31 119.018 120.261 -1.243 1
1 267 . 7 1 1 A 32 32 THR H H 32 8.366 9.601 -1.235 1
1 268 . 7 1 1 A 32 32 THR HA H 32 4.498 5.005 -0.507 1
1 273 . 7 1 1 A 32 32 THR C C 32 171.480 172.841 -1.361 1
1 274 . 7 1 1 A 32 32 THR CA C 32 57.100 59.708 -2.608 1
1 275 . 7 1 1 A 32 32 THR CB C 32 67.767 72.311 -4.544 1
1 277 . 7 1 1 A 32 32 THR N N 32 115.885 118.733 -2.848 1
1 278 . 7 1 1 A 33 33 VAL H H 33 6.720 8.666 -1.946 1
1 279 . 7 1 1 A 33 33 VAL HA H 33 3.950 4.963 -1.013 1
1 287 . 7 1 1 A 33 33 VAL C C 33 169.808 173.475 -3.667 1
1 288 . 7 1 1 A 33 33 VAL CA C 33 57.990 59.040 -1.050 1
1 289 . 7 1 1 A 33 33 VAL CB C 33 32.331 34.730 -2.399 1
1 292 . 7 1 1 A 33 33 VAL N N 33 119.716 121.823 -2.107 1
1 293 . 7 1 1 A 34 34 GLU H H 34 7.670 9.148 -1.478 1
1 294 . 7 1 1 A 34 34 GLU HA H 34 4.187 4.461 -0.274 1
1 297 . 7 1 1 A 34 34 GLU C C 34 171.032 174.771 -3.739 1
1 298 . 7 1 1 A 34 34 GLU CA C 34 51.930 54.372 -2.442 1
1 299 . 7 1 1 A 34 34 GLU CB C 34 29.430 30.701 -1.271 1
1 300 . 7 1 1 A 34 34 GLU N N 34 123.182 125.059 -1.877 1
1 301 . 7 1 1 A 35 35 TYR H H 35 8.500 8.747 -0.247 1
1 302 . 7 1 1 A 35 35 TYR HA H 35 4.646 5.022 -0.376 1
1 309 . 7 1 1 A 35 35 TYR C C 35 172.817 176.960 -4.143 1
1 310 . 7 1 1 A 35 35 TYR CA C 35 55.880 57.844 -1.964 1
1 311 . 7 1 1 A 35 35 TYR CB C 35 38.300 40.030 -1.730 1
1 312 . 7 1 1 A 35 35 TYR N N 35 122.953 125.921 -2.968 1
1 313 . 7 1 1 A 36 36 THR H H 36 8.295 9.185 -0.890 1
1 314 . 7 1 1 A 36 36 THR HA H 36 3.731 3.882 -0.151 1
1 319 . 7 1 1 A 36 36 THR C C 36 175.873 175.080 0.793 1
1 320 . 7 1 1 A 36 36 THR CA C 36 65.169 66.435 -1.266 1
1 321 . 7 1 1 A 36 36 THR CB C 36 67.700 68.439 -0.739 1
1 323 . 7 1 1 A 36 36 THR N N 36 119.739 118.226 1.513 1
1 324 . 7 1 1 A 37 37 HIS H H 37 8.755 7.941 0.814 1
1 325 . 7 1 1 A 37 37 HIS HA H 37 4.807 4.681 0.126 1
1 329 . 7 1 1 A 37 37 HIS C C 37 173.381 175.579 -2.198 1
1 330 . 7 1 1 A 37 37 HIS CA C 37 53.412 57.588 -4.176 1
1 331 . 7 1 1 A 37 37 HIS CB C 37 27.137 31.157 -4.020 1
1 332 . 7 1 1 A 37 37 HIS N N 37 115.916 114.548 1.368 1
1 333 . 7 1 1 A 38 38 GLY H H 38 7.856 7.858 -0.002 1
1 334 . 7 1 1 A 38 38 GLY HA2 H 38 4.091 4.001 0.090 1
1 335 . 7 1 1 A 38 38 GLY HA3 H 38 3.795 4.027 -0.232 1
1 336 . 7 1 1 A 38 38 GLY C C 38 174.479 171.781 2.698 1
1 337 . 7 1 1 A 38 38 GLY CA C 38 43.935 46.090 -2.155 1
1 338 . 7 1 1 A 38 38 GLY N N 38 106.387 103.061 3.326 1
1 339 . 7 1 1 A 39 39 GLN H H 39 8.096 8.990 -0.894 1
1 340 . 7 1 1 A 39 39 GLN HA H 39 4.239 4.684 -0.445 1
1 345 . 7 1 1 A 39 39 GLN C C 39 171.748 175.026 -3.278 1
1 346 . 7 1 1 A 39 39 GLN CA C 39 55.050 53.916 1.134 1
1 347 . 7 1 1 A 39 39 GLN CB C 39 26.580 32.447 -5.867 1
1 349 . 7 1 1 A 39 39 GLN N N 39 119.846 122.152 -2.306 1
1 350 . 7 1 1 A 40 40 TRP H H 40 8.286 8.705 -0.419 1
1 351 . 7 1 1 A 40 40 TRP HA H 40 4.961 4.766 0.195 1
1 358 . 7 1 1 A 40 40 TRP C C 40 172.966 176.017 -3.051 1
1 359 . 7 1 1 A 40 40 TRP CA C 40 55.210 57.160 -1.950 1
1 360 . 7 1 1 A 40 40 TRP CB C 40 28.161 30.762 -2.601 1
1 361 . 7 1 1 A 40 40 TRP N N 40 121.182 122.026 -0.844 1
1 363 . 7 1 1 A 41 41 ALA H H 41 7.947 9.073 -1.126 1
1 364 . 7 1 1 A 41 41 ALA HA H 41 4.641 4.615 0.026 1
1 368 . 7 1 1 A 41 41 ALA C C 41 174.070 177.542 -3.472 1
1 369 . 7 1 1 A 41 41 ALA CA C 41 47.995 53.518 -5.523 1
1 370 . 7 1 1 A 41 41 ALA CB C 41 18.627 21.120 -2.493 1
1 371 . 7 1 1 A 41 41 ALA N N 41 126.752 121.725 5.027 1
1 372 . 7 1 1 A 42 42 PRO HA H 42 4.240 4.169 0.071 1
1 377 . 7 1 1 A 42 42 PRO CA C 42 60.853 62.481 -1.628 1
1 378 . 7 1 1 A 42 42 PRO CB C 42 30.203 29.027 1.176 1
1 379 . 7 1 1 A 43 43 CYS H H 43 8.229 8.964 -0.735 1
1 380 . 7 1 1 A 43 43 CYS HA H 43 4.643 5.031 -0.388 1
1 383 . 7 1 1 A 43 43 CYS C C 43 173.099 171.925 1.174 1
1 384 . 7 1 1 A 43 43 CYS CA C 43 53.574 56.649 -3.075 1
1 385 . 7 1 1 A 43 43 CYS CB C 43 39.464 44.810 -5.346 1
1 386 . 7 1 1 A 43 43 CYS N N 43 119.646 121.060 -1.414 1
1 387 . 7 1 1 A 44 44 ARG H H 44 8.931 9.388 -0.457 1
1 388 . 7 1 1 A 44 44 ARG HA H 44 4.653 4.893 -0.240 1
1 395 . 7 1 1 A 44 44 ARG C C 44 172.821 174.623 -1.802 1
1 396 . 7 1 1 A 44 44 ARG CA C 44 51.850 55.226 -3.376 1
1 397 . 7 1 1 A 44 44 ARG CB C 44 30.892 34.227 -3.335 1
1 400 . 7 1 1 A 44 44 ARG N N 44 128.546 125.967 2.579 1
1 401 . 7 1 1 A 45 45 VAL H H 45 8.242 8.648 -0.406 1
1 402 . 7 1 1 A 45 45 VAL HA H 45 4.625 4.422 0.203 1
1 410 . 7 1 1 A 45 45 VAL C C 45 172.339 175.179 -2.840 1
1 411 . 7 1 1 A 45 45 VAL CA C 45 59.800 62.549 -2.749 1
1 412 . 7 1 1 A 45 45 VAL CB C 45 29.914 32.898 -2.984 1
1 415 . 7 1 1 A 45 45 VAL N N 45 123.347 124.975 -1.628 1
1 416 . 7 1 1 A 46 46 ILE H H 46 9.161 9.382 -0.221 1
1 417 . 7 1 1 A 46 46 ILE HA H 46 4.241 4.865 -0.624 1
1 427 . 7 1 1 A 46 46 ILE C C 46 174.656 175.214 -0.558 1
1 428 . 7 1 1 A 46 46 ILE CA C 46 58.660 59.572 -0.912 1
1 429 . 7 1 1 A 46 46 ILE CB C 46 37.551 40.390 -2.839 1
1 432 . 7 1 1 A 46 46 ILE N N 46 128.086 128.661 -0.575 1
1 433 . 7 1 1 A 47 47 GLU H H 47 9.214 8.634 0.580 1
1 434 . 7 1 1 A 47 47 GLU HA H 47 4.182 4.760 -0.578 1
1 439 . 7 1 1 A 47 47 GLU C C 47 174.413 174.854 -0.441 1
1 440 . 7 1 1 A 47 47 GLU CA C 47 53.820 54.385 -0.565 1
1 441 . 7 1 1 A 47 47 GLU CB C 47 25.600 29.313 -3.713 1
1 443 . 7 1 1 A 47 47 GLU N N 47 129.614 126.980 2.634 1
1 444 . 7 1 1 A 48 48 PRO HA H 48 3.872 4.450 -0.578 1
1 451 . 7 1 1 A 48 48 PRO CA C 48 62.770 63.782 -1.012 1
1 452 . 7 1 1 A 48 48 PRO CB C 48 29.241 31.329 -2.088 1
1 455 . 7 1 1 A 49 49 GLY H H 49 8.330 8.633 -0.303 1
1 456 . 7 1 1 A 49 49 GLY HA2 H 49 4.140 3.983 0.157 1
1 457 . 7 1 1 A 49 49 GLY HA3 H 49 3.702 4.024 -0.322 1
1 458 . 7 1 1 A 49 49 GLY C C 49 176.101 174.816 1.285 1
1 459 . 7 1 1 A 49 49 GLY CA C 49 43.930 45.301 -1.371 1
1 460 . 7 1 1 A 49 49 GLY N N 49 115.617 113.009 2.608 1
1 461 . 7 1 1 A 50 50 GLY H H 50 8.496 8.620 -0.124 1
1 462 . 7 1 1 A 50 50 GLY HA2 H 50 4.374 4.100 0.274 1
1 463 . 7 1 1 A 50 50 GLY HA3 H 50 3.614 4.129 -0.515 1
1 464 . 7 1 1 A 50 50 GLY C C 50 172.758 173.726 -0.968 1
1 465 . 7 1 1 A 50 50 GLY CA C 50 42.550 44.062 -1.512 1
1 466 . 7 1 1 A 50 50 GLY N N 50 108.129 107.956 0.173 1
1 467 . 7 1 1 A 51 51 TRP H H 51 8.184 8.712 -0.528 1
1 468 . 7 1 1 A 51 51 TRP HA H 51 5.778 6.486 -0.708 1
1 475 . 7 1 1 A 51 51 TRP C C 51 170.134 175.485 -5.351 1
1 476 . 7 1 1 A 51 51 TRP CA C 51 53.820 55.689 -1.869 1
1 477 . 7 1 1 A 51 51 TRP CB C 51 30.930 34.039 -3.109 1
1 478 . 7 1 1 A 51 51 TRP N N 51 117.328 120.158 -2.830 1
1 480 . 7 1 1 A 52 52 ALA H H 52 9.354 8.954 0.400 1
1 481 . 7 1 1 A 52 52 ALA HA H 52 4.654 4.839 -0.185 1
1 485 . 7 1 1 A 52 52 ALA C C 52 174.350 175.483 -1.133 1
1 486 . 7 1 1 A 52 52 ALA CA C 52 49.250 51.023 -1.773 1
1 487 . 7 1 1 A 52 52 ALA CB C 52 20.971 21.081 -0.110 1
1 488 . 7 1 1 A 52 52 ALA N N 52 122.785 123.142 -0.357 1
1 489 . 7 1 1 A 53 53 THR H H 53 8.059 8.481 -0.422 1
1 490 . 7 1 1 A 53 53 THR HA H 53 5.251 4.417 0.834 1
1 495 . 7 1 1 A 53 53 THR C C 53 173.703 173.910 -0.207 1
1 496 . 7 1 1 A 53 53 THR CA C 53 60.321 62.427 -2.106 1
1 497 . 7 1 1 A 53 53 THR CB C 53 69.150 68.730 0.420 1
1 499 . 7 1 1 A 53 53 THR N N 53 115.813 118.080 -2.267 1
1 500 . 7 1 1 A 54 54 PHE H H 54 9.370 8.713 0.657 1
1 501 . 7 1 1 A 54 54 PHE HA H 54 4.827 4.934 -0.107 1
1 508 . 7 1 1 A 54 54 PHE C C 54 171.593 174.860 -3.267 1
1 509 . 7 1 1 A 54 54 PHE CA C 54 53.813 56.409 -2.596 1
1 510 . 7 1 1 A 54 54 PHE CB C 54 40.556 42.869 -2.313 1
1 511 . 7 1 1 A 54 54 PHE N N 54 125.684 124.523 1.161 1
1 512 . 7 1 1 A 55 55 ALA H H 55 8.706 8.662 0.044 1
1 513 . 7 1 1 A 55 55 ALA HA H 55 4.362 4.155 0.207 1
1 517 . 7 1 1 A 55 55 ALA C C 55 173.468 178.013 -4.545 1
1 518 . 7 1 1 A 55 55 ALA CA C 55 52.010 52.444 -0.434 1
1 519 . 7 1 1 A 55 55 ALA CB C 55 16.740 19.349 -2.609 1
1 520 . 7 1 1 A 55 55 ALA N N 55 124.175 126.599 -2.424 1
1 521 . 7 1 1 A 56 56 GLY H H 56 7.517 8.546 -1.029 1
1 522 . 7 1 1 A 56 56 GLY HA2 H 56 4.252 4.151 0.101 1
1 523 . 7 1 1 A 56 56 GLY HA3 H 56 3.339 4.230 -0.891 1
1 524 . 7 1 1 A 56 56 GLY C C 56 178.583 173.328 5.255 1
1 525 . 7 1 1 A 56 56 GLY CA C 56 42.282 44.494 -2.212 1
1 526 . 7 1 1 A 56 56 GLY N N 56 110.256 110.670 -0.414 1
1 527 . 7 1 1 A 57 57 TYR H H 57 7.154 8.703 -1.549 1
1 528 . 7 1 1 A 57 57 TYR HA H 57 4.516 5.327 -0.811 1
1 535 . 7 1 1 A 57 57 TYR C C 57 170.587 175.430 -4.843 1
1 536 . 7 1 1 A 57 57 TYR CA C 57 55.130 56.719 -1.589 1
1 537 . 7 1 1 A 57 57 TYR CB C 57 36.127 37.660 -1.533 1
1 538 . 7 1 1 A 57 57 TYR N N 57 113.618 117.582 -3.964 1
1 539 . 7 1 1 A 58 58 GLY H H 58 8.498 8.380 0.118 1
1 540 . 7 1 1 A 58 58 GLY HA2 H 58 3.946 3.879 0.067 1
1 541 . 7 1 1 A 58 58 GLY HA3 H 58 3.420 4.020 -0.600 1
1 542 . 7 1 1 A 58 58 GLY C C 58 175.193 173.727 1.466 1
1 543 . 7 1 1 A 58 58 GLY CA C 58 43.806 43.454 0.352 1
1 544 . 7 1 1 A 58 58 GLY N N 58 109.549 110.166 -0.617 1
1 545 . 7 1 1 A 59 59 THR H H 59 8.301 9.123 -0.822 1
1 546 . 7 1 1 A 59 59 THR HA H 59 4.277 3.975 0.302 1
1 547 . 7 1 1 A 59 59 THR C C 59 172.318 173.631 -1.313 1
1 548 . 7 1 1 A 59 59 THR CA C 59 60.637 63.000 -2.363 1
1 549 . 7 1 1 A 59 59 THR CB C 59 67.412 66.737 0.675 1
1 550 . 7 1 1 A 59 59 THR N N 59 111.031 115.458 -4.427 1
1 551 . 7 1 1 A 60 60 ASP H H 60 8.414 8.419 -0.005 1
1 552 . 7 1 1 A 60 60 ASP HA H 60 4.679 4.260 0.419 1
1 555 . 7 1 1 A 60 60 ASP C C 60 173.345 175.862 -2.517 1
1 556 . 7 1 1 A 60 60 ASP CA C 60 51.030 55.536 -4.506 1
1 557 . 7 1 1 A 60 60 ASP CB C 60 38.608 39.275 -0.667 1
1 558 . 7 1 1 A 60 60 ASP N N 60 120.007 113.596 6.411 1
1 559 . 7 1 1 A 61 61 GLY H H 61 7.967 7.981 -0.014 1
1 560 . 7 1 1 A 61 61 GLY HA2 H 61 3.550 3.743 -0.193 1
1 561 . 7 1 1 A 61 61 GLY HA3 H 61 2.879 3.774 -0.895 1
1 562 . 7 1 1 A 61 61 GLY C C 61 175.339 174.057 1.282 1
1 563 . 7 1 1 A 61 61 GLY CA C 61 44.956 45.770 -0.814 1
1 564 . 7 1 1 A 61 61 GLY N N 61 108.692 106.538 2.154 1
1 565 . 7 1 1 A 62 62 ASN H H 62 8.507 7.875 0.632 1
1 566 . 7 1 1 A 62 62 ASN HA H 62 4.455 5.498 -1.043 1
1 571 . 7 1 1 A 62 62 ASN C C 62 172.217 174.053 -1.836 1
1 572 . 7 1 1 A 62 62 ASN CA C 62 48.627 52.647 -4.020 1
1 573 . 7 1 1 A 62 62 ASN CB C 62 34.339 40.602 -6.263 1
1 574 . 7 1 1 A 62 62 ASN N N 62 120.625 118.564 2.061 1
1 576 . 7 1 1 A 63 63 TYR H H 63 6.994 9.046 -2.052 1
1 577 . 7 1 1 A 63 63 TYR HA H 63 4.477 4.913 -0.436 1
1 580 . 7 1 1 A 63 63 TYR C C 63 172.042 174.078 -2.036 1
1 581 . 7 1 1 A 63 63 TYR CA C 63 56.210 58.711 -2.501 1
1 582 . 7 1 1 A 63 63 TYR CB C 63 36.755 41.378 -4.623 1
1 583 . 7 1 1 A 63 63 TYR N N 63 116.333 121.380 -5.047 1
1 584 . 7 1 1 A 64 64 VAL H H 64 8.841 8.988 -0.147 1
1 585 . 7 1 1 A 64 64 VAL HA H 64 3.689 4.038 -0.349 1
1 593 . 7 1 1 A 64 64 VAL C C 64 175.531 175.579 -0.048 1
1 594 . 7 1 1 A 64 64 VAL CA C 64 61.550 62.440 -0.890 1
1 595 . 7 1 1 A 64 64 VAL CB C 64 30.583 31.780 -1.197 1
1 598 . 7 1 1 A 64 64 VAL N N 64 123.889 126.883 -2.994 1
1 599 . 7 1 1 A 65 65 THR H H 65 8.850 9.218 -0.368 1
1 600 . 7 1 1 A 65 65 THR HA H 65 4.210 4.274 -0.064 1
1 605 . 7 1 1 A 65 65 THR C C 65 175.388 174.924 0.464 1
1 606 . 7 1 1 A 65 65 THR CA C 65 60.109 61.309 -1.200 1
1 607 . 7 1 1 A 65 65 THR CB C 65 66.710 70.256 -3.546 1
1 609 . 7 1 1 A 65 65 THR N N 65 119.739 119.170 0.569 1
1 610 . 7 1 1 A 66 66 GLY H H 66 6.907 7.308 -0.401 1
1 611 . 7 1 1 A 66 66 GLY HA2 H 66 3.769 4.236 -0.467 1
1 612 . 7 1 1 A 66 66 GLY HA3 H 66 3.583 4.238 -0.655 1
1 613 . 7 1 1 A 66 66 GLY C C 66 173.131 171.890 1.241 1
1 614 . 7 1 1 A 66 66 GLY CA C 66 42.950 44.797 -1.847 1
1 615 . 7 1 1 A 66 66 GLY N N 66 108.712 108.866 -0.154 1
1 616 . 7 1 1 A 67 67 LEU H H 67 7.723 8.821 -1.098 1
1 617 . 7 1 1 A 67 67 LEU HA H 67 4.628 4.751 -0.123 1
1 626 . 7 1 1 A 67 67 LEU C C 67 167.522 175.477 -7.955 1
1 627 . 7 1 1 A 67 67 LEU CA C 67 51.200 54.469 -3.269 1
1 628 . 7 1 1 A 67 67 LEU CB C 67 42.747 42.659 0.088 1
1 631 . 7 1 1 A 67 67 LEU N N 67 118.448 126.299 -7.851 1
1 632 . 7 1 1 A 68 68 HIS H H 68 8.003 8.985 -0.982 1
1 633 . 7 1 1 A 68 68 HIS HA H 68 4.890 5.221 -0.331 1
1 637 . 7 1 1 A 68 68 HIS C C 68 174.161 173.878 0.283 1
1 638 . 7 1 1 A 68 68 HIS CA C 68 52.180 54.811 -2.631 1
1 639 . 7 1 1 A 68 68 HIS CB C 68 31.877 33.300 -1.423 1
1 640 . 7 1 1 A 68 68 HIS N N 68 116.650 118.414 -1.764 1
1 641 . 7 1 1 A 69 69 THR H H 69 8.515 8.839 -0.324 1
1 642 . 7 1 1 A 69 69 THR HA H 69 4.808 4.321 0.487 1
1 647 . 7 1 1 A 69 69 THR C C 69 172.511 173.755 -1.244 1
1 648 . 7 1 1 A 69 69 THR CA C 69 60.130 62.855 -2.725 1
1 649 . 7 1 1 A 69 69 THR CB C 69 67.840 69.096 -1.256 1
1 651 . 7 1 1 A 69 69 THR N N 69 114.721 118.855 -4.134 1
1 652 . 7 1 1 A 70 70 CYS H H 70 7.731 9.753 -2.022 1
1 653 . 7 1 1 A 70 70 CYS HA H 70 4.786 5.195 -0.409 1
1 656 . 7 1 1 A 70 70 CYS C C 70 172.053 172.884 -0.831 1
1 657 . 7 1 1 A 70 70 CYS CA C 70 51.950 54.703 -2.753 1
1 658 . 7 1 1 A 70 70 CYS CB C 70 43.320 44.431 -1.111 1
1 659 . 7 1 1 A 70 70 CYS N N 70 117.575 126.171 -8.596 1
1 660 . 7 1 1 A 71 71 ASP H H 71 8.370 8.570 -0.200 1
1 661 . 7 1 1 A 71 71 ASP HA H 71 4.993 5.275 -0.282 1
1 664 . 7 1 1 A 71 71 ASP C C 71 169.692 175.002 -5.310 1
1 665 . 7 1 1 A 71 71 ASP CA C 71 48.815 51.596 -2.781 1
1 666 . 7 1 1 A 71 71 ASP CB C 71 40.118 42.005 -1.887 1
1 667 . 7 1 1 A 71 71 ASP N N 71 120.975 123.179 -2.204 1
1 668 . 7 1 1 A 72 72 PRO HA H 72 4.145 4.426 -0.281 1
1 675 . 7 1 1 A 72 72 PRO CA C 72 61.360 62.820 -1.460 1
1 676 . 7 1 1 A 72 72 PRO CB C 72 30.141 30.788 -0.647 1
1 679 . 7 1 1 A 73 73 ALA H H 73 8.169 8.207 -0.038 1
1 680 . 7 1 1 A 73 73 ALA HA H 73 4.247 4.620 -0.373 1
1 684 . 7 1 1 A 73 73 ALA C C 73 174.353 175.862 -1.509 1
1 685 . 7 1 1 A 73 73 ALA CA C 73 50.370 51.988 -1.618 1
1 686 . 7 1 1 A 73 73 ALA CB C 73 17.230 19.326 -2.096 1
1 687 . 7 1 1 A 73 73 ALA N N 73 122.390 125.007 -2.617 1
1 688 . 7 1 1 A 74 74 THR H H 74 7.704 8.762 -1.058 1
1 689 . 7 1 1 A 74 74 THR C C 74 175.770 174.257 1.513 1
1 690 . 7 1 1 A 74 74 THR CA C 74 57.794 58.945 -1.151 1
1 691 . 7 1 1 A 74 74 THR CB C 74 67.994 69.432 -1.438 1
1 692 . 7 1 1 A 74 74 THR N N 74 114.834 118.257 -3.423 1
1 693 . 7 1 1 A 75 75 PRO HA H 75 4.386 4.420 -0.034 1
1 700 . 7 1 1 A 75 75 PRO CA C 75 61.440 64.864 -3.424 1
1 701 . 7 1 1 A 75 75 PRO CB C 75 30.088 32.106 -2.018 1
1 704 . 7 1 1 A 76 76 SER H H 76 8.209 7.777 0.432 1
1 705 . 7 1 1 A 76 76 SER HA H 76 4.373 4.838 -0.465 1
1 708 . 7 1 1 A 76 76 SER C C 76 175.051 174.110 0.941 1
1 709 . 7 1 1 A 76 76 SER CA C 76 56.360 57.411 -1.051 1
1 710 . 7 1 1 A 76 76 SER CB C 76 61.939 67.379 -5.440 1
1 711 . 7 1 1 A 76 76 SER N N 76 115.319 112.576 2.743 1
1 712 . 7 1 1 A 77 77 GLY H H 77 8.124 8.549 -0.425 1
1 713 . 7 1 1 A 77 77 GLY HA2 H 77 4.093 4.036 0.057 1
1 714 . 7 1 1 A 77 77 GLY HA3 H 77 3.577 4.040 -0.463 1
1 715 . 7 1 1 A 77 77 GLY C C 77 173.087 174.051 -0.964 1
1 716 . 7 1 1 A 77 77 GLY CA C 77 43.555 45.203 -1.648 1
1 717 . 7 1 1 A 77 77 GLY N N 77 110.791 110.674 0.117 1
1 3 . 8 1 1 A 1 1 ALA HA H 5 4.015 4.279 -0.264 1
1 7 . 8 1 1 A 2 2 THR H H 6 7.608 8.493 -0.885 1
1 8 . 8 1 1 A 2 2 THR C C 2 174.815 175.934 -1.119 1
1 9 . 8 1 1 A 2 2 THR CA C 2 56.801 65.595 -8.794 1
1 10 . 8 1 1 A 2 2 THR CB C 2 68.857 66.835 2.022 1
1 11 . 8 1 1 A 2 2 THR N N 6 113.279 121.879 -8.600 1
1 12 . 8 1 1 A 5 5 PRO HA H 5 4.493 4.279 0.214 1
1 19 . 8 1 1 A 5 5 PRO CA C 5 61.290 63.325 -2.035 1
1 20 . 8 1 1 A 5 5 PRO CB C 5 30.190 32.069 -1.879 1
1 23 . 8 1 1 A 6 6 VAL H H 6 7.794 8.493 -0.699 1
1 24 . 8 1 1 A 6 6 VAL HA H 6 3.880 4.237 -0.357 1
1 32 . 8 1 1 A 6 6 VAL C C 6 175.059 176.412 -1.353 1
1 33 . 8 1 1 A 6 6 VAL CA C 6 59.560 63.765 -4.205 1
1 34 . 8 1 1 A 6 6 VAL CB C 6 30.680 31.573 -0.893 1
1 37 . 8 1 1 A 6 6 VAL N N 6 118.616 121.879 -3.263 1
1 38 . 8 1 1 A 7 7 ALA H H 7 8.029 8.536 -0.507 1
1 39 . 8 1 1 A 7 7 ALA HA H 7 4.167 4.088 0.079 1
1 43 . 8 1 1 A 7 7 ALA C C 7 173.395 178.076 -4.681 1
1 44 . 8 1 1 A 7 7 ALA CA C 7 50.780 52.645 -1.865 1
1 45 . 8 1 1 A 7 7 ALA CB C 7 18.292 19.256 -0.964 1
1 46 . 8 1 1 A 7 7 ALA N N 7 126.653 129.607 -2.954 1
1 47 . 8 1 1 A 8 8 GLU H H 8 8.587 7.840 0.747 1
1 48 . 8 1 1 A 8 8 GLU HA H 8 4.085 3.928 0.157 1
1 53 . 8 1 1 A 8 8 GLU C C 8 176.717 176.285 0.432 1
1 54 . 8 1 1 A 8 8 GLU CA C 8 56.520 58.149 -1.629 1
1 55 . 8 1 1 A 8 8 GLU CB C 8 27.393 27.111 0.282 1
1 57 . 8 1 1 A 8 8 GLU N N 8 118.049 112.371 5.678 1
1 58 . 8 1 1 A 9 9 CYS H H 9 7.348 7.918 -0.570 1
1 59 . 8 1 1 A 9 9 CYS HA H 9 4.422 4.611 -0.189 1
1 62 . 8 1 1 A 9 9 CYS C C 9 173.399 173.466 -0.067 1
1 63 . 8 1 1 A 9 9 CYS CA C 9 51.850 56.232 -4.382 1
1 64 . 8 1 1 A 9 9 CYS CB C 9 38.617 42.705 -4.088 1
1 65 . 8 1 1 A 9 9 CYS N N 9 109.798 116.821 -7.023 1
1 66 . 8 1 1 A 10 10 VAL H H 10 7.682 7.326 0.356 1
1 67 . 8 1 1 A 10 10 VAL HA H 10 4.483 4.451 0.032 1
1 75 . 8 1 1 A 10 10 VAL C C 10 172.261 174.353 -2.092 1
1 76 . 8 1 1 A 10 10 VAL CA C 10 60.360 60.417 -0.057 1
1 77 . 8 1 1 A 10 10 VAL CB C 10 29.445 33.354 -3.909 1
1 80 . 8 1 1 A 10 10 VAL N N 10 125.088 118.271 6.817 1
1 81 . 8 1 1 A 11 11 GLU H H 11 8.322 9.047 -0.725 1
1 82 . 8 1 1 A 11 11 GLU HA H 11 4.644 4.862 -0.218 1
1 87 . 8 1 1 A 11 11 GLU C C 11 172.004 174.742 -2.738 1
1 88 . 8 1 1 A 11 11 GLU CA C 11 51.852 54.440 -2.588 1
1 89 . 8 1 1 A 11 11 GLU CB C 11 31.925 33.499 -1.574 1
1 91 . 8 1 1 A 11 11 GLU N N 11 124.099 124.761 -0.662 1
1 92 . 8 1 1 A 12 12 TYR H H 12 7.843 8.569 -0.726 1
1 93 . 8 1 1 A 12 12 TYR HA H 12 5.697 6.342 -0.645 1
1 100 . 8 1 1 A 12 12 TYR C C 12 172.281 174.124 -1.843 1
1 101 . 8 1 1 A 12 12 TYR CA C 12 53.160 55.794 -2.634 1
1 102 . 8 1 1 A 12 12 TYR CB C 12 40.610 41.267 -0.657 1
1 103 . 8 1 1 A 12 12 TYR N N 12 115.283 125.261 -9.978 1
1 104 . 8 1 1 A 13 13 PHE H H 13 9.057 8.644 0.413 1
1 105 . 8 1 1 A 13 13 PHE HA H 13 4.750 5.057 -0.307 1
1 106 . 8 1 1 A 13 13 PHE C C 13 170.766 173.721 -2.955 1
1 107 . 8 1 1 A 13 13 PHE CA C 13 54.815 57.341 -2.526 1
1 108 . 8 1 1 A 13 13 PHE CB C 13 39.947 42.928 -2.981 1
1 109 . 8 1 1 A 13 13 PHE N N 13 119.347 120.394 -1.047 1
1 110 . 8 1 1 A 14 14 GLN HA H 14 5.302 4.627 0.675 1
1 113 . 8 1 1 A 14 14 GLN CA C 14 53.700 54.879 -1.179 1
1 114 . 8 1 1 A 14 14 GLN CB C 14 30.685 29.031 1.654 1
1 115 . 8 1 1 A 15 15 SER H H 15 8.657 9.100 -0.443 1
1 116 . 8 1 1 A 15 15 SER HA H 15 4.715 4.661 0.054 1
1 117 . 8 1 1 A 15 15 SER C C 15 172.296 173.781 -1.485 1
1 118 . 8 1 1 A 15 15 SER CA C 15 54.708 55.996 -1.288 1
1 119 . 8 1 1 A 15 15 SER CB C 15 64.456 65.732 -1.276 1
1 120 . 8 1 1 A 15 15 SER N N 15 119.667 119.741 -0.074 1
1 121 . 8 1 1 A 17 17 ARG HA H 17 3.413 3.851 -0.438 1
1 124 . 8 1 1 A 17 17 ARG CA C 17 55.648 57.394 -1.746 1
1 125 . 8 1 1 A 17 17 ARG CB C 17 29.496 26.917 2.579 1
1 126 . 8 1 1 A 18 18 TYR H H 18 6.870 7.917 -1.047 1
1 127 . 8 1 1 A 18 18 TYR HA H 18 5.233 4.971 0.262 1
1 134 . 8 1 1 A 18 18 TYR C C 18 174.107 174.374 -0.267 1
1 135 . 8 1 1 A 18 18 TYR CA C 18 54.231 57.869 -3.638 1
1 136 . 8 1 1 A 18 18 TYR CB C 18 40.725 40.630 0.095 1
1 137 . 8 1 1 A 18 18 TYR N N 18 114.525 118.698 -4.173 1
1 138 . 8 1 1 A 19 19 THR H H 19 8.684 9.126 -0.442 1
1 139 . 8 1 1 A 19 19 THR HA H 19 5.061 5.379 -0.318 1
1 144 . 8 1 1 A 19 19 THR C C 19 173.054 173.387 -0.333 1
1 145 . 8 1 1 A 19 19 THR CA C 19 60.704 62.506 -1.802 1
1 146 . 8 1 1 A 19 19 THR CB C 19 67.997 68.473 -0.476 1
1 148 . 8 1 1 A 19 19 THR N N 19 119.368 123.992 -4.624 1
1 149 . 8 1 1 A 20 20 ASP H H 20 8.975 8.680 0.295 1
1 150 . 8 1 1 A 20 20 ASP HA H 20 5.690 4.845 0.845 1
1 153 . 8 1 1 A 20 20 ASP C C 20 171.832 174.597 -2.765 1
1 154 . 8 1 1 A 20 20 ASP CA C 20 52.039 52.773 -0.734 1
1 155 . 8 1 1 A 20 20 ASP CB C 20 42.292 40.674 1.618 1
1 156 . 8 1 1 A 20 20 ASP N N 20 128.307 126.756 1.551 1
1 157 . 8 1 1 A 21 21 VAL H H 21 9.496 8.367 1.129 1
1 158 . 8 1 1 A 21 21 VAL HA H 21 4.775 4.760 0.015 1
1 166 . 8 1 1 A 21 21 VAL C C 21 173.611 174.541 -0.930 1
1 167 . 8 1 1 A 21 21 VAL CA C 21 59.478 60.771 -1.293 1
1 168 . 8 1 1 A 21 21 VAL CB C 21 32.243 33.309 -1.066 1
1 171 . 8 1 1 A 21 21 VAL N N 21 123.356 124.888 -1.532 1
1 172 . 8 1 1 A 22 22 HIS H H 22 8.973 8.687 0.286 1
1 173 . 8 1 1 A 22 22 HIS HA H 22 4.622 6.003 -1.381 1
1 177 . 8 1 1 A 22 22 HIS C C 22 171.626 173.643 -2.017 1
1 178 . 8 1 1 A 22 22 HIS CA C 22 49.980 54.456 -4.476 1
1 179 . 8 1 1 A 22 22 HIS CB C 22 28.390 31.575 -3.185 1
1 180 . 8 1 1 A 22 22 HIS N N 22 124.534 126.781 -2.247 1
1 181 . 8 1 1 A 23 23 ASN H H 23 8.317 9.005 -0.688 1
1 182 . 8 1 1 A 23 23 ASN HA H 23 4.517 4.828 -0.311 1
1 185 . 8 1 1 A 23 23 ASN C C 23 171.836 176.062 -4.226 1
1 186 . 8 1 1 A 23 23 ASN CA C 23 49.380 53.565 -4.185 1
1 187 . 8 1 1 A 23 23 ASN CB C 23 36.018 39.990 -3.972 1
1 188 . 8 1 1 A 23 23 ASN N N 23 123.095 123.988 -0.893 1
1 189 . 8 1 1 A 24 24 GLY H H 24 7.602 8.511 -0.909 1
1 190 . 8 1 1 A 24 24 GLY HA2 H 24 4.051 4.236 -0.185 1
1 191 . 8 1 1 A 24 24 GLY HA3 H 24 3.381 4.236 -0.855 1
1 192 . 8 1 1 A 24 24 GLY C C 24 171.684 175.246 -3.562 1
1 193 . 8 1 1 A 24 24 GLY CA C 24 42.936 45.685 -2.749 1
1 194 . 8 1 1 A 24 24 GLY N N 24 113.217 110.004 3.213 1
1 195 . 8 1 1 A 25 25 CYS H H 25 8.145 7.970 0.175 1
1 196 . 8 1 1 A 25 25 CYS HA H 25 4.544 4.574 -0.030 1
1 199 . 8 1 1 A 25 25 CYS C C 25 172.305 173.645 -1.340 1
1 200 . 8 1 1 A 25 25 CYS CA C 25 50.790 57.496 -6.706 1
1 201 . 8 1 1 A 25 25 CYS CB C 25 39.528 43.099 -3.571 1
1 202 . 8 1 1 A 25 25 CYS N N 25 119.843 118.679 1.164 1
1 203 . 8 1 1 A 26 26 ALA H H 26 8.111 7.931 0.180 1
1 204 . 8 1 1 A 26 26 ALA HA H 26 4.084 4.034 0.050 1
1 208 . 8 1 1 A 26 26 ALA C C 26 172.481 175.473 -2.992 1
1 209 . 8 1 1 A 26 26 ALA CA C 26 50.950 54.246 -3.296 1
1 210 . 8 1 1 A 26 26 ALA CB C 26 17.251 18.086 -0.835 1
1 211 . 8 1 1 A 26 26 ALA N N 26 119.852 122.206 -2.354 1
1 212 . 8 1 1 A 27 27 ASP H H 27 6.938 7.623 -0.685 1
1 213 . 8 1 1 A 27 27 ASP HA H 27 4.787 5.251 -0.464 1
1 216 . 8 1 1 A 27 27 ASP C C 27 174.263 174.399 -0.136 1
1 217 . 8 1 1 A 27 27 ASP CA C 27 49.550 52.114 -2.564 1
1 218 . 8 1 1 A 27 27 ASP CB C 27 42.250 44.291 -2.041 1
1 219 . 8 1 1 A 27 27 ASP N N 27 113.761 116.088 -2.327 1
1 220 . 8 1 1 A 28 28 ALA H H 28 8.454 8.384 0.070 1
1 221 . 8 1 1 A 28 28 ALA HA H 28 3.986 4.855 -0.869 1
1 225 . 8 1 1 A 28 28 ALA C C 28 173.188 177.679 -4.491 1
1 226 . 8 1 1 A 28 28 ALA CA C 28 50.550 52.408 -1.858 1
1 227 . 8 1 1 A 28 28 ALA CB C 28 16.820 19.128 -2.308 1
1 228 . 8 1 1 A 28 28 ALA N N 28 121.635 123.529 -1.894 1
1 229 . 8 1 1 A 29 29 VAL H H 29 7.742 8.399 -0.657 1
1 230 . 8 1 1 A 29 29 VAL HA H 29 4.553 4.831 -0.278 1
1 238 . 8 1 1 A 29 29 VAL C C 29 174.826 174.259 0.567 1
1 239 . 8 1 1 A 29 29 VAL CA C 29 57.140 59.366 -2.226 1
1 240 . 8 1 1 A 29 29 VAL CB C 29 33.000 35.321 -2.321 1
1 243 . 8 1 1 A 29 29 VAL N N 29 113.732 117.588 -3.856 1
1 244 . 8 1 1 A 30 30 SER H H 30 8.101 8.869 -0.768 1
1 245 . 8 1 1 A 30 30 SER HA H 30 5.338 4.886 0.452 1
1 248 . 8 1 1 A 30 30 SER C C 30 171.613 174.410 -2.797 1
1 249 . 8 1 1 A 30 30 SER CA C 30 54.310 58.347 -4.037 1
1 250 . 8 1 1 A 30 30 SER CB C 30 62.237 63.876 -1.639 1
1 251 . 8 1 1 A 30 30 SER N N 30 118.729 122.017 -3.288 1
1 252 . 8 1 1 A 31 31 VAL H H 31 8.780 9.557 -0.777 1
1 253 . 8 1 1 A 31 31 VAL HA H 31 5.146 4.994 0.152 1
1 261 . 8 1 1 A 31 31 VAL C C 31 172.831 174.097 -1.266 1
1 262 . 8 1 1 A 31 31 VAL CA C 31 56.940 59.217 -2.277 1
1 263 . 8 1 1 A 31 31 VAL CB C 31 35.030 35.276 -0.246 1
1 266 . 8 1 1 A 31 31 VAL N N 31 119.018 120.057 -1.039 1
1 267 . 8 1 1 A 32 32 THR H H 32 8.366 9.377 -1.011 1
1 268 . 8 1 1 A 32 32 THR HA H 32 4.498 4.883 -0.385 1
1 273 . 8 1 1 A 32 32 THR C C 32 171.480 172.607 -1.127 1
1 274 . 8 1 1 A 32 32 THR CA C 32 57.100 59.721 -2.621 1
1 275 . 8 1 1 A 32 32 THR CB C 32 67.767 72.028 -4.261 1
1 277 . 8 1 1 A 32 32 THR N N 32 115.885 118.335 -2.450 1
1 278 . 8 1 1 A 33 33 VAL H H 33 6.720 8.512 -1.792 1
1 279 . 8 1 1 A 33 33 VAL HA H 33 3.950 5.059 -1.109 1
1 287 . 8 1 1 A 33 33 VAL C C 33 169.808 173.269 -3.461 1
1 288 . 8 1 1 A 33 33 VAL CA C 33 57.990 59.371 -1.381 1
1 289 . 8 1 1 A 33 33 VAL CB C 33 32.331 34.426 -2.095 1
1 292 . 8 1 1 A 33 33 VAL N N 33 119.716 119.797 -0.081 1
1 293 . 8 1 1 A 34 34 GLU H H 34 7.670 9.262 -1.592 1
1 294 . 8 1 1 A 34 34 GLU HA H 34 4.187 4.484 -0.297 1
1 297 . 8 1 1 A 34 34 GLU C C 34 171.032 174.983 -3.951 1
1 298 . 8 1 1 A 34 34 GLU CA C 34 51.930 54.303 -2.373 1
1 299 . 8 1 1 A 34 34 GLU CB C 34 29.430 30.985 -1.555 1
1 300 . 8 1 1 A 34 34 GLU N N 34 123.182 125.345 -2.163 1
1 301 . 8 1 1 A 35 35 TYR H H 35 8.500 8.738 -0.238 1
1 302 . 8 1 1 A 35 35 TYR HA H 35 4.646 5.124 -0.478 1
1 309 . 8 1 1 A 35 35 TYR C C 35 172.817 177.375 -4.558 1
1 310 . 8 1 1 A 35 35 TYR CA C 35 55.880 57.885 -2.005 1
1 311 . 8 1 1 A 35 35 TYR CB C 35 38.300 40.211 -1.911 1
1 312 . 8 1 1 A 35 35 TYR N N 35 122.953 125.627 -2.674 1
1 313 . 8 1 1 A 36 36 THR H H 36 8.295 9.388 -1.093 1
1 314 . 8 1 1 A 36 36 THR HA H 36 3.731 3.922 -0.191 1
1 319 . 8 1 1 A 36 36 THR C C 36 175.873 175.504 0.369 1
1 320 . 8 1 1 A 36 36 THR CA C 36 65.169 66.318 -1.149 1
1 321 . 8 1 1 A 36 36 THR CB C 36 67.700 68.623 -0.923 1
1 323 . 8 1 1 A 36 36 THR N N 36 119.739 117.859 1.880 1
1 324 . 8 1 1 A 37 37 HIS H H 37 8.755 7.712 1.043 1
1 325 . 8 1 1 A 37 37 HIS HA H 37 4.807 4.579 0.228 1
1 329 . 8 1 1 A 37 37 HIS C C 37 173.381 176.237 -2.856 1
1 330 . 8 1 1 A 37 37 HIS CA C 37 53.412 57.880 -4.468 1
1 331 . 8 1 1 A 37 37 HIS CB C 37 27.137 30.662 -3.525 1
1 332 . 8 1 1 A 37 37 HIS N N 37 115.916 116.155 -0.239 1
1 333 . 8 1 1 A 38 38 GLY H H 38 7.856 7.626 0.230 1
1 334 . 8 1 1 A 38 38 GLY HA2 H 38 4.091 4.153 -0.062 1
1 335 . 8 1 1 A 38 38 GLY HA3 H 38 3.795 4.221 -0.426 1
1 336 . 8 1 1 A 38 38 GLY C C 38 174.479 174.412 0.067 1
1 337 . 8 1 1 A 38 38 GLY CA C 38 43.935 45.448 -1.513 1
1 338 . 8 1 1 A 38 38 GLY N N 38 106.387 103.967 2.420 1
1 339 . 8 1 1 A 39 39 GLN H H 39 8.096 7.743 0.353 1
1 340 . 8 1 1 A 39 39 GLN HA H 39 4.239 4.414 -0.175 1
1 345 . 8 1 1 A 39 39 GLN C C 39 171.748 175.937 -4.189 1
1 346 . 8 1 1 A 39 39 GLN CA C 39 55.050 56.051 -1.001 1
1 347 . 8 1 1 A 39 39 GLN CB C 39 26.580 29.560 -2.980 1
1 349 . 8 1 1 A 39 39 GLN N N 39 119.846 118.127 1.719 1
1 350 . 8 1 1 A 40 40 TRP H H 40 8.286 8.715 -0.429 1
1 351 . 8 1 1 A 40 40 TRP HA H 40 4.961 4.687 0.274 1
1 358 . 8 1 1 A 40 40 TRP C C 40 172.966 175.858 -2.892 1
1 359 . 8 1 1 A 40 40 TRP CA C 40 55.210 58.063 -2.853 1
1 360 . 8 1 1 A 40 40 TRP CB C 40 28.161 29.748 -1.587 1
1 361 . 8 1 1 A 40 40 TRP N N 40 121.182 124.332 -3.150 1
1 363 . 8 1 1 A 41 41 ALA H H 41 7.947 8.446 -0.499 1
1 364 . 8 1 1 A 41 41 ALA HA H 41 4.641 4.209 0.432 1
1 368 . 8 1 1 A 41 41 ALA C C 41 174.070 177.404 -3.334 1
1 369 . 8 1 1 A 41 41 ALA CA C 41 47.995 53.117 -5.122 1
1 370 . 8 1 1 A 41 41 ALA CB C 41 18.627 21.208 -2.581 1
1 371 . 8 1 1 A 41 41 ALA N N 41 126.752 129.288 -2.536 1
1 372 . 8 1 1 A 42 42 PRO HA H 42 4.240 4.049 0.191 1
1 377 . 8 1 1 A 42 42 PRO CA C 42 60.853 62.321 -1.468 1
1 378 . 8 1 1 A 42 42 PRO CB C 42 30.203 29.098 1.105 1
1 379 . 8 1 1 A 43 43 CYS H H 43 8.229 8.751 -0.522 1
1 380 . 8 1 1 A 43 43 CYS HA H 43 4.643 5.021 -0.378 1
1 383 . 8 1 1 A 43 43 CYS C C 43 173.099 171.805 1.294 1
1 384 . 8 1 1 A 43 43 CYS CA C 43 53.574 56.059 -2.485 1
1 385 . 8 1 1 A 43 43 CYS CB C 43 39.464 44.710 -5.246 1
1 386 . 8 1 1 A 43 43 CYS N N 43 119.646 121.108 -1.462 1
1 387 . 8 1 1 A 44 44 ARG H H 44 8.931 9.358 -0.427 1
1 388 . 8 1 1 A 44 44 ARG HA H 44 4.653 4.734 -0.081 1
1 395 . 8 1 1 A 44 44 ARG C C 44 172.821 174.511 -1.690 1
1 396 . 8 1 1 A 44 44 ARG CA C 44 51.850 55.465 -3.615 1
1 397 . 8 1 1 A 44 44 ARG CB C 44 30.892 34.026 -3.134 1
1 400 . 8 1 1 A 44 44 ARG N N 44 128.546 127.804 0.742 1
1 401 . 8 1 1 A 45 45 VAL H H 45 8.242 8.549 -0.307 1
1 402 . 8 1 1 A 45 45 VAL HA H 45 4.625 4.414 0.211 1
1 410 . 8 1 1 A 45 45 VAL C C 45 172.339 175.145 -2.806 1
1 411 . 8 1 1 A 45 45 VAL CA C 45 59.800 62.464 -2.664 1
1 412 . 8 1 1 A 45 45 VAL CB C 45 29.914 32.877 -2.963 1
1 415 . 8 1 1 A 45 45 VAL N N 45 123.347 125.148 -1.801 1
1 416 . 8 1 1 A 46 46 ILE H H 46 9.161 9.334 -0.173 1
1 417 . 8 1 1 A 46 46 ILE HA H 46 4.241 4.776 -0.535 1
1 427 . 8 1 1 A 46 46 ILE C C 46 174.656 175.237 -0.581 1
1 428 . 8 1 1 A 46 46 ILE CA C 46 58.660 59.625 -0.965 1
1 429 . 8 1 1 A 46 46 ILE CB C 46 37.551 39.998 -2.447 1
1 432 . 8 1 1 A 46 46 ILE N N 46 128.086 128.438 -0.352 1
1 433 . 8 1 1 A 47 47 GLU H H 47 9.214 8.593 0.621 1
1 434 . 8 1 1 A 47 47 GLU HA H 47 4.182 4.753 -0.571 1
1 439 . 8 1 1 A 47 47 GLU C C 47 174.413 174.676 -0.263 1
1 440 . 8 1 1 A 47 47 GLU CA C 47 53.820 54.329 -0.509 1
1 441 . 8 1 1 A 47 47 GLU CB C 47 25.600 29.256 -3.656 1
1 443 . 8 1 1 A 47 47 GLU N N 47 129.614 125.955 3.659 1
1 444 . 8 1 1 A 48 48 PRO HA H 48 3.872 4.299 -0.427 1
1 451 . 8 1 1 A 48 48 PRO CA C 48 62.770 63.862 -1.092 1
1 452 . 8 1 1 A 48 48 PRO CB C 48 29.241 31.366 -2.125 1
1 455 . 8 1 1 A 49 49 GLY H H 49 8.330 8.884 -0.554 1
1 456 . 8 1 1 A 49 49 GLY HA2 H 49 4.140 3.974 0.166 1
1 457 . 8 1 1 A 49 49 GLY HA3 H 49 3.702 4.015 -0.313 1
1 458 . 8 1 1 A 49 49 GLY C C 49 176.101 174.518 1.583 1
1 459 . 8 1 1 A 49 49 GLY CA C 49 43.930 45.427 -1.497 1
1 460 . 8 1 1 A 49 49 GLY N N 49 115.617 113.135 2.482 1
1 461 . 8 1 1 A 50 50 GLY H H 50 8.496 8.683 -0.187 1
1 462 . 8 1 1 A 50 50 GLY HA2 H 50 4.374 4.115 0.259 1
1 463 . 8 1 1 A 50 50 GLY HA3 H 50 3.614 4.139 -0.525 1
1 464 . 8 1 1 A 50 50 GLY C C 50 172.758 173.567 -0.809 1
1 465 . 8 1 1 A 50 50 GLY CA C 50 42.550 44.362 -1.812 1
1 466 . 8 1 1 A 50 50 GLY N N 50 108.129 108.192 -0.063 1
1 467 . 8 1 1 A 51 51 TRP H H 51 8.184 8.821 -0.637 1
1 468 . 8 1 1 A 51 51 TRP HA H 51 5.778 6.439 -0.661 1
1 475 . 8 1 1 A 51 51 TRP C C 51 170.134 175.464 -5.330 1
1 476 . 8 1 1 A 51 51 TRP CA C 51 53.820 55.877 -2.057 1
1 477 . 8 1 1 A 51 51 TRP CB C 51 30.930 33.770 -2.840 1
1 478 . 8 1 1 A 51 51 TRP N N 51 117.328 120.414 -3.086 1
1 480 . 8 1 1 A 52 52 ALA H H 52 9.354 8.971 0.383 1
1 481 . 8 1 1 A 52 52 ALA HA H 52 4.654 4.900 -0.246 1
1 485 . 8 1 1 A 52 52 ALA C C 52 174.350 175.534 -1.184 1
1 486 . 8 1 1 A 52 52 ALA CA C 52 49.250 50.985 -1.735 1
1 487 . 8 1 1 A 52 52 ALA CB C 52 20.971 21.110 -0.139 1
1 488 . 8 1 1 A 52 52 ALA N N 52 122.785 123.253 -0.468 1
1 489 . 8 1 1 A 53 53 THR H H 53 8.059 8.472 -0.413 1
1 490 . 8 1 1 A 53 53 THR HA H 53 5.251 4.498 0.753 1
1 495 . 8 1 1 A 53 53 THR C C 53 173.703 173.814 -0.111 1
1 496 . 8 1 1 A 53 53 THR CA C 53 60.321 62.527 -2.206 1
1 497 . 8 1 1 A 53 53 THR CB C 53 69.150 69.222 -0.072 1
1 499 . 8 1 1 A 53 53 THR N N 53 115.813 117.910 -2.097 1
1 500 . 8 1 1 A 54 54 PHE H H 54 9.370 8.377 0.993 1
1 501 . 8 1 1 A 54 54 PHE HA H 54 4.827 4.987 -0.160 1
1 508 . 8 1 1 A 54 54 PHE C C 54 171.593 174.892 -3.299 1
1 509 . 8 1 1 A 54 54 PHE CA C 54 53.813 56.429 -2.616 1
1 510 . 8 1 1 A 54 54 PHE CB C 54 40.556 42.822 -2.266 1
1 511 . 8 1 1 A 54 54 PHE N N 54 125.684 124.270 1.414 1
1 512 . 8 1 1 A 55 55 ALA H H 55 8.706 8.711 -0.005 1
1 513 . 8 1 1 A 55 55 ALA HA H 55 4.362 4.180 0.182 1
1 517 . 8 1 1 A 55 55 ALA C C 55 173.468 178.130 -4.662 1
1 518 . 8 1 1 A 55 55 ALA CA C 55 52.010 52.506 -0.496 1
1 519 . 8 1 1 A 55 55 ALA CB C 55 16.740 19.475 -2.735 1
1 520 . 8 1 1 A 55 55 ALA N N 55 124.175 126.699 -2.524 1
1 521 . 8 1 1 A 56 56 GLY H H 56 7.517 8.774 -1.257 1
1 522 . 8 1 1 A 56 56 GLY HA2 H 56 4.252 4.152 0.100 1
1 523 . 8 1 1 A 56 56 GLY HA3 H 56 3.339 4.193 -0.854 1
1 524 . 8 1 1 A 56 56 GLY C C 56 178.583 173.511 5.072 1
1 525 . 8 1 1 A 56 56 GLY CA C 56 42.282 44.709 -2.427 1
1 526 . 8 1 1 A 56 56 GLY N N 56 110.256 110.679 -0.423 1
1 527 . 8 1 1 A 57 57 TYR H H 57 7.154 9.059 -1.905 1
1 528 . 8 1 1 A 57 57 TYR HA H 57 4.516 4.986 -0.470 1
1 535 . 8 1 1 A 57 57 TYR C C 57 170.587 176.159 -5.572 1
1 536 . 8 1 1 A 57 57 TYR CA C 57 55.130 57.161 -2.031 1
1 537 . 8 1 1 A 57 57 TYR CB C 57 36.127 37.792 -1.665 1
1 538 . 8 1 1 A 57 57 TYR N N 57 113.618 119.397 -5.779 1
1 539 . 8 1 1 A 58 58 GLY H H 58 8.498 8.703 -0.205 1
1 540 . 8 1 1 A 58 58 GLY HA2 H 58 3.946 3.745 0.201 1
1 541 . 8 1 1 A 58 58 GLY HA3 H 58 3.420 3.893 -0.473 1
1 542 . 8 1 1 A 58 58 GLY C C 58 175.193 174.862 0.331 1
1 543 . 8 1 1 A 58 58 GLY CA C 58 43.806 46.316 -2.510 1
1 544 . 8 1 1 A 58 58 GLY N N 58 109.549 109.951 -0.402 1
1 545 . 8 1 1 A 59 59 THR H H 59 8.301 7.634 0.667 1
1 546 . 8 1 1 A 59 59 THR HA H 59 4.277 4.410 -0.133 1
1 547 . 8 1 1 A 59 59 THR C C 59 172.318 173.939 -1.621 1
1 548 . 8 1 1 A 59 59 THR CA C 59 60.637 61.272 -0.635 1
1 549 . 8 1 1 A 59 59 THR CB C 59 67.412 68.793 -1.381 1
1 550 . 8 1 1 A 59 59 THR N N 59 111.031 112.724 -1.693 1
1 551 . 8 1 1 A 60 60 ASP H H 60 8.414 8.069 0.345 1
1 552 . 8 1 1 A 60 60 ASP HA H 60 4.679 4.400 0.279 1
1 555 . 8 1 1 A 60 60 ASP C C 60 173.345 175.865 -2.520 1
1 556 . 8 1 1 A 60 60 ASP CA C 60 51.030 55.564 -4.534 1
1 557 . 8 1 1 A 60 60 ASP CB C 60 38.608 39.181 -0.573 1
1 558 . 8 1 1 A 60 60 ASP N N 60 120.007 117.052 2.955 1
1 559 . 8 1 1 A 61 61 GLY H H 61 7.967 8.256 -0.289 1
1 560 . 8 1 1 A 61 61 GLY HA2 H 61 3.550 3.892 -0.342 1
1 561 . 8 1 1 A 61 61 GLY HA3 H 61 2.879 3.987 -1.108 1
1 562 . 8 1 1 A 61 61 GLY C C 61 175.339 174.955 0.384 1
1 563 . 8 1 1 A 61 61 GLY CA C 61 44.956 46.135 -1.179 1
1 564 . 8 1 1 A 61 61 GLY N N 61 108.692 106.656 2.036 1
1 565 . 8 1 1 A 62 62 ASN H H 62 8.507 8.245 0.262 1
1 566 . 8 1 1 A 62 62 ASN HA H 62 4.455 5.086 -0.631 1
1 571 . 8 1 1 A 62 62 ASN C C 62 172.217 174.642 -2.425 1
1 572 . 8 1 1 A 62 62 ASN CA C 62 48.627 53.758 -5.131 1
1 573 . 8 1 1 A 62 62 ASN CB C 62 34.339 39.176 -4.837 1
1 574 . 8 1 1 A 62 62 ASN N N 62 120.625 119.223 1.402 1
1 576 . 8 1 1 A 63 63 TYR H H 63 6.994 9.004 -2.010 1
1 577 . 8 1 1 A 63 63 TYR HA H 63 4.477 5.312 -0.835 1
1 580 . 8 1 1 A 63 63 TYR C C 63 172.042 174.299 -2.257 1
1 581 . 8 1 1 A 63 63 TYR CA C 63 56.210 55.850 0.360 1
1 582 . 8 1 1 A 63 63 TYR CB C 63 36.755 41.342 -4.587 1
1 583 . 8 1 1 A 63 63 TYR N N 63 116.333 125.387 -9.054 1
1 584 . 8 1 1 A 64 64 VAL H H 64 8.841 8.828 0.013 1
1 585 . 8 1 1 A 64 64 VAL HA H 64 3.689 3.967 -0.278 1
1 593 . 8 1 1 A 64 64 VAL C C 64 175.531 174.715 0.816 1
1 594 . 8 1 1 A 64 64 VAL CA C 64 61.550 63.111 -1.561 1
1 595 . 8 1 1 A 64 64 VAL CB C 64 30.583 31.582 -0.999 1
1 598 . 8 1 1 A 64 64 VAL N N 64 123.889 127.962 -4.073 1
1 599 . 8 1 1 A 65 65 THR H H 65 8.850 8.914 -0.064 1
1 600 . 8 1 1 A 65 65 THR HA H 65 4.210 4.263 -0.053 1
1 605 . 8 1 1 A 65 65 THR C C 65 175.388 173.632 1.756 1
1 606 . 8 1 1 A 65 65 THR CA C 65 60.109 61.328 -1.219 1
1 607 . 8 1 1 A 65 65 THR CB C 65 66.710 70.585 -3.875 1
1 609 . 8 1 1 A 65 65 THR N N 65 119.739 122.148 -2.409 1
1 610 . 8 1 1 A 66 66 GLY H H 66 6.907 7.083 -0.176 1
1 611 . 8 1 1 A 66 66 GLY HA2 H 66 3.769 4.101 -0.332 1
1 612 . 8 1 1 A 66 66 GLY HA3 H 66 3.583 4.124 -0.541 1
1 613 . 8 1 1 A 66 66 GLY C C 66 173.131 171.437 1.694 1
1 614 . 8 1 1 A 66 66 GLY CA C 66 42.950 45.091 -2.141 1
1 615 . 8 1 1 A 66 66 GLY N N 66 108.712 109.779 -1.067 1
1 616 . 8 1 1 A 67 67 LEU H H 67 7.723 8.758 -1.035 1
1 617 . 8 1 1 A 67 67 LEU HA H 67 4.628 5.227 -0.599 1
1 626 . 8 1 1 A 67 67 LEU C C 67 167.522 176.072 -8.550 1
1 627 . 8 1 1 A 67 67 LEU CA C 67 51.200 53.381 -2.181 1
1 628 . 8 1 1 A 67 67 LEU CB C 67 42.747 42.940 -0.193 1
1 631 . 8 1 1 A 67 67 LEU N N 67 118.448 125.935 -7.487 1
1 632 . 8 1 1 A 68 68 HIS H H 68 8.003 9.746 -1.743 1
1 633 . 8 1 1 A 68 68 HIS HA H 68 4.890 4.992 -0.102 1
1 637 . 8 1 1 A 68 68 HIS C C 68 174.161 173.759 0.402 1
1 638 . 8 1 1 A 68 68 HIS CA C 68 52.180 54.115 -1.935 1
1 639 . 8 1 1 A 68 68 HIS CB C 68 31.877 33.287 -1.410 1
1 640 . 8 1 1 A 68 68 HIS N N 68 116.650 121.774 -5.124 1
1 641 . 8 1 1 A 69 69 THR H H 69 8.515 8.666 -0.151 1
1 642 . 8 1 1 A 69 69 THR HA H 69 4.808 4.389 0.419 1
1 647 . 8 1 1 A 69 69 THR C C 69 172.511 174.244 -1.733 1
1 648 . 8 1 1 A 69 69 THR CA C 69 60.130 62.957 -2.827 1
1 649 . 8 1 1 A 69 69 THR CB C 69 67.840 69.028 -1.188 1
1 651 . 8 1 1 A 69 69 THR N N 69 114.721 117.543 -2.822 1
1 652 . 8 1 1 A 70 70 CYS H H 70 7.731 9.559 -1.828 1
1 653 . 8 1 1 A 70 70 CYS HA H 70 4.786 4.872 -0.086 1
1 656 . 8 1 1 A 70 70 CYS C C 70 172.053 172.749 -0.696 1
1 657 . 8 1 1 A 70 70 CYS CA C 70 51.950 55.544 -3.594 1
1 658 . 8 1 1 A 70 70 CYS CB C 70 43.320 44.796 -1.476 1
1 659 . 8 1 1 A 70 70 CYS N N 70 117.575 126.554 -8.979 1
1 660 . 8 1 1 A 71 71 ASP H H 71 8.370 8.626 -0.256 1
1 661 . 8 1 1 A 71 71 ASP HA H 71 4.993 5.217 -0.224 1
1 664 . 8 1 1 A 71 71 ASP C C 71 169.692 174.742 -5.050 1
1 665 . 8 1 1 A 71 71 ASP CA C 71 48.815 51.492 -2.677 1
1 666 . 8 1 1 A 71 71 ASP CB C 71 40.118 42.123 -2.005 1
1 667 . 8 1 1 A 71 71 ASP N N 71 120.975 121.146 -0.171 1
1 668 . 8 1 1 A 72 72 PRO HA H 72 4.145 4.440 -0.295 1
1 675 . 8 1 1 A 72 72 PRO CA C 72 61.360 62.638 -1.278 1
1 676 . 8 1 1 A 72 72 PRO CB C 72 30.141 30.544 -0.403 1
1 679 . 8 1 1 A 73 73 ALA H H 73 8.169 7.950 0.219 1
1 680 . 8 1 1 A 73 73 ALA HA H 73 4.247 4.653 -0.406 1
1 684 . 8 1 1 A 73 73 ALA C C 73 174.353 175.948 -1.595 1
1 685 . 8 1 1 A 73 73 ALA CA C 73 50.370 52.040 -1.670 1
1 686 . 8 1 1 A 73 73 ALA CB C 73 17.230 19.919 -2.689 1
1 687 . 8 1 1 A 73 73 ALA N N 73 122.390 124.402 -2.012 1
1 688 . 8 1 1 A 74 74 THR H H 74 7.704 8.872 -1.168 1
1 689 . 8 1 1 A 74 74 THR C C 74 175.770 173.356 2.414 1
1 690 . 8 1 1 A 74 74 THR CA C 74 57.794 60.203 -2.409 1
1 691 . 8 1 1 A 74 74 THR CB C 74 67.994 69.421 -1.427 1
1 692 . 8 1 1 A 74 74 THR N N 74 114.834 119.211 -4.377 1
1 693 . 8 1 1 A 75 75 PRO HA H 75 4.386 4.613 -0.227 1
1 700 . 8 1 1 A 75 75 PRO CA C 75 61.440 63.324 -1.884 1
1 701 . 8 1 1 A 75 75 PRO CB C 75 30.088 31.833 -1.745 1
1 704 . 8 1 1 A 76 76 SER H H 76 8.209 8.854 -0.645 1
1 705 . 8 1 1 A 76 76 SER HA H 76 4.373 4.652 -0.279 1
1 708 . 8 1 1 A 76 76 SER C C 76 175.051 174.968 0.083 1
1 709 . 8 1 1 A 76 76 SER CA C 76 56.360 57.927 -1.567 1
1 710 . 8 1 1 A 76 76 SER CB C 76 61.939 61.670 0.269 1
1 711 . 8 1 1 A 76 76 SER N N 76 115.319 119.767 -4.448 1
1 712 . 8 1 1 A 77 77 GLY H H 77 8.124 8.404 -0.280 1
1 713 . 8 1 1 A 77 77 GLY HA2 H 77 4.093 3.925 0.168 1
1 714 . 8 1 1 A 77 77 GLY HA3 H 77 3.577 3.951 -0.374 1
1 715 . 8 1 1 A 77 77 GLY C C 77 173.087 174.050 -0.963 1
1 716 . 8 1 1 A 77 77 GLY CA C 77 43.555 46.548 -2.993 1
1 717 . 8 1 1 A 77 77 GLY N N 77 110.791 113.388 -2.597 1
1 3 . 9 1 1 A 1 1 ALA HA H 5 4.015 4.543 -0.528 1
1 7 . 9 1 1 A 2 2 THR H H 6 7.608 8.608 -1.000 1
1 8 . 9 1 1 A 2 2 THR C C 2 174.815 174.545 0.270 1
1 9 . 9 1 1 A 2 2 THR CA C 2 56.801 63.361 -6.560 1
1 10 . 9 1 1 A 2 2 THR CB C 2 68.857 70.683 -1.826 1
1 11 . 9 1 1 A 2 2 THR N N 6 113.279 122.128 -8.849 1
1 12 . 9 1 1 A 5 5 PRO HA H 5 4.493 4.543 -0.050 1
1 19 . 9 1 1 A 5 5 PRO CA C 5 61.290 62.462 -1.172 1
1 20 . 9 1 1 A 5 5 PRO CB C 5 30.190 31.989 -1.799 1
1 23 . 9 1 1 A 6 6 VAL H H 6 7.794 8.608 -0.814 1
1 24 . 9 1 1 A 6 6 VAL HA H 6 3.880 4.344 -0.464 1
1 32 . 9 1 1 A 6 6 VAL C C 6 175.059 176.587 -1.528 1
1 33 . 9 1 1 A 6 6 VAL CA C 6 59.560 63.704 -4.144 1
1 34 . 9 1 1 A 6 6 VAL CB C 6 30.680 31.622 -0.942 1
1 37 . 9 1 1 A 6 6 VAL N N 6 118.616 122.128 -3.512 1
1 38 . 9 1 1 A 7 7 ALA H H 7 8.029 8.526 -0.497 1
1 39 . 9 1 1 A 7 7 ALA HA H 7 4.167 4.168 -0.001 1
1 43 . 9 1 1 A 7 7 ALA C C 7 173.395 178.065 -4.670 1
1 44 . 9 1 1 A 7 7 ALA CA C 7 50.780 52.059 -1.279 1
1 45 . 9 1 1 A 7 7 ALA CB C 7 18.292 19.056 -0.764 1
1 46 . 9 1 1 A 7 7 ALA N N 7 126.653 129.573 -2.920 1
1 47 . 9 1 1 A 8 8 GLU H H 8 8.587 7.916 0.671 1
1 48 . 9 1 1 A 8 8 GLU HA H 8 4.085 3.743 0.342 1
1 53 . 9 1 1 A 8 8 GLU C C 8 176.717 176.795 -0.078 1
1 54 . 9 1 1 A 8 8 GLU CA C 8 56.520 58.674 -2.154 1
1 55 . 9 1 1 A 8 8 GLU CB C 8 27.393 27.115 0.278 1
1 57 . 9 1 1 A 8 8 GLU N N 8 118.049 111.778 6.271 1
1 58 . 9 1 1 A 9 9 CYS H H 9 7.348 8.262 -0.914 1
1 59 . 9 1 1 A 9 9 CYS HA H 9 4.422 4.583 -0.161 1
1 62 . 9 1 1 A 9 9 CYS C C 9 173.399 173.549 -0.150 1
1 63 . 9 1 1 A 9 9 CYS CA C 9 51.850 56.803 -4.953 1
1 64 . 9 1 1 A 9 9 CYS CB C 9 38.617 42.507 -3.890 1
1 65 . 9 1 1 A 9 9 CYS N N 9 109.798 116.917 -7.119 1
1 66 . 9 1 1 A 10 10 VAL H H 10 7.682 7.358 0.324 1
1 67 . 9 1 1 A 10 10 VAL HA H 10 4.483 4.569 -0.086 1
1 75 . 9 1 1 A 10 10 VAL C C 10 172.261 174.540 -2.279 1
1 76 . 9 1 1 A 10 10 VAL CA C 10 60.360 60.300 0.060 1
1 77 . 9 1 1 A 10 10 VAL CB C 10 29.445 33.608 -4.163 1
1 80 . 9 1 1 A 10 10 VAL N N 10 125.088 118.807 6.281 1
1 81 . 9 1 1 A 11 11 GLU H H 11 8.322 8.612 -0.290 1
1 82 . 9 1 1 A 11 11 GLU HA H 11 4.644 4.502 0.142 1
1 87 . 9 1 1 A 11 11 GLU C C 11 172.004 174.434 -2.430 1
1 88 . 9 1 1 A 11 11 GLU CA C 11 51.852 54.749 -2.897 1
1 89 . 9 1 1 A 11 11 GLU CB C 11 31.925 33.276 -1.351 1
1 91 . 9 1 1 A 11 11 GLU N N 11 124.099 124.884 -0.785 1
1 92 . 9 1 1 A 12 12 TYR H H 12 7.843 8.348 -0.505 1
1 93 . 9 1 1 A 12 12 TYR HA H 12 5.697 6.228 -0.531 1
1 100 . 9 1 1 A 12 12 TYR C C 12 172.281 173.967 -1.686 1
1 101 . 9 1 1 A 12 12 TYR CA C 12 53.160 55.731 -2.571 1
1 102 . 9 1 1 A 12 12 TYR CB C 12 40.610 41.403 -0.793 1
1 103 . 9 1 1 A 12 12 TYR N N 12 115.283 125.191 -9.908 1
1 104 . 9 1 1 A 13 13 PHE H H 13 9.057 8.811 0.246 1
1 105 . 9 1 1 A 13 13 PHE HA H 13 4.750 5.203 -0.453 1
1 106 . 9 1 1 A 13 13 PHE C C 13 170.766 173.645 -2.879 1
1 107 . 9 1 1 A 13 13 PHE CA C 13 54.815 57.011 -2.196 1
1 108 . 9 1 1 A 13 13 PHE CB C 13 39.947 43.322 -3.375 1
1 109 . 9 1 1 A 13 13 PHE N N 13 119.347 120.223 -0.876 1
1 110 . 9 1 1 A 14 14 GLN HA H 14 5.302 4.777 0.525 1
1 113 . 9 1 1 A 14 14 GLN CA C 14 53.700 54.406 -0.706 1
1 114 . 9 1 1 A 14 14 GLN CB C 14 30.685 29.730 0.955 1
1 115 . 9 1 1 A 15 15 SER H H 15 8.657 9.037 -0.380 1
1 116 . 9 1 1 A 15 15 SER HA H 15 4.715 4.458 0.257 1
1 117 . 9 1 1 A 15 15 SER C C 15 172.296 174.035 -1.739 1
1 118 . 9 1 1 A 15 15 SER CA C 15 54.708 56.427 -1.719 1
1 119 . 9 1 1 A 15 15 SER CB C 15 64.456 62.275 2.181 1
1 120 . 9 1 1 A 15 15 SER N N 15 119.667 120.874 -1.207 1
1 121 . 9 1 1 A 17 17 ARG HA H 17 3.413 4.503 -1.090 1
1 124 . 9 1 1 A 17 17 ARG CA C 17 55.648 55.424 0.224 1
1 125 . 9 1 1 A 17 17 ARG CB C 17 29.496 30.869 -1.373 1
1 126 . 9 1 1 A 18 18 TYR H H 18 6.870 7.706 -0.836 1
1 127 . 9 1 1 A 18 18 TYR HA H 18 5.233 5.061 0.172 1
1 134 . 9 1 1 A 18 18 TYR C C 18 174.107 174.135 -0.028 1
1 135 . 9 1 1 A 18 18 TYR CA C 18 54.231 56.742 -2.511 1
1 136 . 9 1 1 A 18 18 TYR CB C 18 40.725 39.830 0.895 1
1 137 . 9 1 1 A 18 18 TYR N N 18 114.525 121.801 -7.276 1
1 138 . 9 1 1 A 19 19 THR H H 19 8.684 9.347 -0.663 1
1 139 . 9 1 1 A 19 19 THR HA H 19 5.061 5.386 -0.325 1
1 144 . 9 1 1 A 19 19 THR C C 19 173.054 173.366 -0.312 1
1 145 . 9 1 1 A 19 19 THR CA C 19 60.704 62.661 -1.957 1
1 146 . 9 1 1 A 19 19 THR CB C 19 67.997 68.269 -0.272 1
1 148 . 9 1 1 A 19 19 THR N N 19 119.368 124.008 -4.640 1
1 149 . 9 1 1 A 20 20 ASP H H 20 8.975 8.599 0.376 1
1 150 . 9 1 1 A 20 20 ASP HA H 20 5.690 4.785 0.905 1
1 153 . 9 1 1 A 20 20 ASP C C 20 171.832 174.869 -3.037 1
1 154 . 9 1 1 A 20 20 ASP CA C 20 52.039 52.731 -0.692 1
1 155 . 9 1 1 A 20 20 ASP CB C 20 42.292 40.619 1.673 1
1 156 . 9 1 1 A 20 20 ASP N N 20 128.307 126.696 1.611 1
1 157 . 9 1 1 A 21 21 VAL H H 21 9.496 8.323 1.173 1
1 158 . 9 1 1 A 21 21 VAL HA H 21 4.775 4.876 -0.101 1
1 166 . 9 1 1 A 21 21 VAL C C 21 173.611 174.553 -0.942 1
1 167 . 9 1 1 A 21 21 VAL CA C 21 59.478 60.667 -1.189 1
1 168 . 9 1 1 A 21 21 VAL CB C 21 32.243 33.274 -1.031 1
1 171 . 9 1 1 A 21 21 VAL N N 21 123.356 124.772 -1.416 1
1 172 . 9 1 1 A 22 22 HIS H H 22 8.973 8.634 0.339 1
1 173 . 9 1 1 A 22 22 HIS HA H 22 4.622 5.886 -1.264 1
1 177 . 9 1 1 A 22 22 HIS C C 22 171.626 173.802 -2.176 1
1 178 . 9 1 1 A 22 22 HIS CA C 22 49.980 54.480 -4.500 1
1 179 . 9 1 1 A 22 22 HIS CB C 22 28.390 31.501 -3.111 1
1 180 . 9 1 1 A 22 22 HIS N N 22 124.534 127.056 -2.522 1
1 181 . 9 1 1 A 23 23 ASN H H 23 8.317 9.083 -0.766 1
1 182 . 9 1 1 A 23 23 ASN HA H 23 4.517 4.907 -0.390 1
1 185 . 9 1 1 A 23 23 ASN C C 23 171.836 176.035 -4.199 1
1 186 . 9 1 1 A 23 23 ASN CA C 23 49.380 53.396 -4.016 1
1 187 . 9 1 1 A 23 23 ASN CB C 23 36.018 39.753 -3.735 1
1 188 . 9 1 1 A 23 23 ASN N N 23 123.095 124.249 -1.154 1
1 189 . 9 1 1 A 24 24 GLY H H 24 7.602 8.632 -1.030 1
1 190 . 9 1 1 A 24 24 GLY HA2 H 24 4.051 4.241 -0.190 1
1 191 . 9 1 1 A 24 24 GLY HA3 H 24 3.381 4.243 -0.862 1
1 192 . 9 1 1 A 24 24 GLY C C 24 171.684 175.117 -3.433 1
1 193 . 9 1 1 A 24 24 GLY CA C 24 42.936 45.723 -2.787 1
1 194 . 9 1 1 A 24 24 GLY N N 24 113.217 110.314 2.903 1
1 195 . 9 1 1 A 25 25 CYS H H 25 8.145 8.000 0.145 1
1 196 . 9 1 1 A 25 25 CYS HA H 25 4.544 4.654 -0.110 1
1 199 . 9 1 1 A 25 25 CYS C C 25 172.305 173.625 -1.320 1
1 200 . 9 1 1 A 25 25 CYS CA C 25 50.790 56.844 -6.054 1
1 201 . 9 1 1 A 25 25 CYS CB C 25 39.528 43.191 -3.663 1
1 202 . 9 1 1 A 25 25 CYS N N 25 119.843 118.377 1.466 1
1 203 . 9 1 1 A 26 26 ALA H H 26 8.111 7.927 0.184 1
1 204 . 9 1 1 A 26 26 ALA HA H 26 4.084 4.041 0.043 1
1 208 . 9 1 1 A 26 26 ALA C C 26 172.481 175.482 -3.001 1
1 209 . 9 1 1 A 26 26 ALA CA C 26 50.950 54.257 -3.307 1
1 210 . 9 1 1 A 26 26 ALA CB C 26 17.251 18.088 -0.837 1
1 211 . 9 1 1 A 26 26 ALA N N 26 119.852 122.212 -2.360 1
1 212 . 9 1 1 A 27 27 ASP H H 27 6.938 7.657 -0.719 1
1 213 . 9 1 1 A 27 27 ASP HA H 27 4.787 5.245 -0.458 1
1 216 . 9 1 1 A 27 27 ASP C C 27 174.263 174.401 -0.138 1
1 217 . 9 1 1 A 27 27 ASP CA C 27 49.550 52.234 -2.684 1
1 218 . 9 1 1 A 27 27 ASP CB C 27 42.250 44.195 -1.945 1
1 219 . 9 1 1 A 27 27 ASP N N 27 113.761 115.804 -2.043 1
1 220 . 9 1 1 A 28 28 ALA H H 28 8.454 8.384 0.070 1
1 221 . 9 1 1 A 28 28 ALA HA H 28 3.986 4.939 -0.953 1
1 225 . 9 1 1 A 28 28 ALA C C 28 173.188 177.753 -4.565 1
1 226 . 9 1 1 A 28 28 ALA CA C 28 50.550 52.379 -1.829 1
1 227 . 9 1 1 A 28 28 ALA CB C 28 16.820 19.105 -2.285 1
1 228 . 9 1 1 A 28 28 ALA N N 28 121.635 123.494 -1.859 1
1 229 . 9 1 1 A 29 29 VAL H H 29 7.742 8.402 -0.660 1
1 230 . 9 1 1 A 29 29 VAL HA H 29 4.553 4.849 -0.296 1
1 238 . 9 1 1 A 29 29 VAL C C 29 174.826 174.138 0.688 1
1 239 . 9 1 1 A 29 29 VAL CA C 29 57.140 59.328 -2.188 1
1 240 . 9 1 1 A 29 29 VAL CB C 29 33.000 35.426 -2.426 1
1 243 . 9 1 1 A 29 29 VAL N N 29 113.732 117.741 -4.009 1
1 244 . 9 1 1 A 30 30 SER H H 30 8.101 8.876 -0.775 1
1 245 . 9 1 1 A 30 30 SER HA H 30 5.338 4.936 0.402 1
1 248 . 9 1 1 A 30 30 SER C C 30 171.613 174.437 -2.824 1
1 249 . 9 1 1 A 30 30 SER CA C 30 54.310 58.315 -4.005 1
1 250 . 9 1 1 A 30 30 SER CB C 30 62.237 63.884 -1.647 1
1 251 . 9 1 1 A 30 30 SER N N 30 118.729 120.903 -2.174 1
1 252 . 9 1 1 A 31 31 VAL H H 31 8.780 9.693 -0.913 1
1 253 . 9 1 1 A 31 31 VAL HA H 31 5.146 4.964 0.182 1
1 261 . 9 1 1 A 31 31 VAL C C 31 172.831 174.162 -1.331 1
1 262 . 9 1 1 A 31 31 VAL CA C 31 56.940 59.258 -2.318 1
1 263 . 9 1 1 A 31 31 VAL CB C 31 35.030 34.620 0.410 1
1 266 . 9 1 1 A 31 31 VAL N N 31 119.018 120.319 -1.301 1
1 267 . 9 1 1 A 32 32 THR H H 32 8.366 9.623 -1.257 1
1 268 . 9 1 1 A 32 32 THR HA H 32 4.498 4.877 -0.379 1
1 273 . 9 1 1 A 32 32 THR C C 32 171.480 172.389 -0.909 1
1 274 . 9 1 1 A 32 32 THR CA C 32 57.100 59.607 -2.507 1
1 275 . 9 1 1 A 32 32 THR CB C 32 67.767 72.147 -4.380 1
1 277 . 9 1 1 A 32 32 THR N N 32 115.885 118.675 -2.790 1
1 278 . 9 1 1 A 33 33 VAL H H 33 6.720 8.485 -1.765 1
1 279 . 9 1 1 A 33 33 VAL HA H 33 3.950 4.738 -0.788 1
1 287 . 9 1 1 A 33 33 VAL C C 33 169.808 173.592 -3.784 1
1 288 . 9 1 1 A 33 33 VAL CA C 33 57.990 59.514 -1.524 1
1 289 . 9 1 1 A 33 33 VAL CB C 33 32.331 34.544 -2.213 1
1 292 . 9 1 1 A 33 33 VAL N N 33 119.716 120.110 -0.394 1
1 293 . 9 1 1 A 34 34 GLU H H 34 7.670 9.104 -1.434 1
1 294 . 9 1 1 A 34 34 GLU HA H 34 4.187 4.434 -0.247 1
1 297 . 9 1 1 A 34 34 GLU C C 34 171.032 174.946 -3.914 1
1 298 . 9 1 1 A 34 34 GLU CA C 34 51.930 54.312 -2.382 1
1 299 . 9 1 1 A 34 34 GLU CB C 34 29.430 30.585 -1.155 1
1 300 . 9 1 1 A 34 34 GLU N N 34 123.182 125.412 -2.230 1
1 301 . 9 1 1 A 35 35 TYR H H 35 8.500 8.748 -0.248 1
1 302 . 9 1 1 A 35 35 TYR HA H 35 4.646 4.904 -0.258 1
1 309 . 9 1 1 A 35 35 TYR C C 35 172.817 177.237 -4.420 1
1 310 . 9 1 1 A 35 35 TYR CA C 35 55.880 57.983 -2.103 1
1 311 . 9 1 1 A 35 35 TYR CB C 35 38.300 40.196 -1.896 1
1 312 . 9 1 1 A 35 35 TYR N N 35 122.953 125.826 -2.873 1
1 313 . 9 1 1 A 36 36 THR H H 36 8.295 9.157 -0.862 1
1 314 . 9 1 1 A 36 36 THR HA H 36 3.731 3.919 -0.188 1
1 319 . 9 1 1 A 36 36 THR C C 36 175.873 175.143 0.730 1
1 320 . 9 1 1 A 36 36 THR CA C 36 65.169 66.250 -1.081 1
1 321 . 9 1 1 A 36 36 THR CB C 36 67.700 68.587 -0.887 1
1 323 . 9 1 1 A 36 36 THR N N 36 119.739 117.319 2.420 1
1 324 . 9 1 1 A 37 37 HIS H H 37 8.755 7.886 0.869 1
1 325 . 9 1 1 A 37 37 HIS HA H 37 4.807 4.654 0.153 1
1 329 . 9 1 1 A 37 37 HIS C C 37 173.381 176.006 -2.625 1
1 330 . 9 1 1 A 37 37 HIS CA C 37 53.412 57.598 -4.186 1
1 331 . 9 1 1 A 37 37 HIS CB C 37 27.137 30.998 -3.861 1
1 332 . 9 1 1 A 37 37 HIS N N 37 115.916 116.025 -0.109 1
1 333 . 9 1 1 A 38 38 GLY H H 38 7.856 7.784 0.072 1
1 334 . 9 1 1 A 38 38 GLY HA2 H 38 4.091 4.120 -0.029 1
1 335 . 9 1 1 A 38 38 GLY HA3 H 38 3.795 4.186 -0.391 1
1 336 . 9 1 1 A 38 38 GLY C C 38 174.479 174.436 0.043 1
1 337 . 9 1 1 A 38 38 GLY CA C 38 43.935 45.459 -1.524 1
1 338 . 9 1 1 A 38 38 GLY N N 38 106.387 103.967 2.420 1
1 339 . 9 1 1 A 39 39 GLN H H 39 8.096 7.376 0.720 1
1 340 . 9 1 1 A 39 39 GLN HA H 39 4.239 4.271 -0.032 1
1 345 . 9 1 1 A 39 39 GLN C C 39 171.748 175.990 -4.242 1
1 346 . 9 1 1 A 39 39 GLN CA C 39 55.050 56.121 -1.071 1
1 347 . 9 1 1 A 39 39 GLN CB C 39 26.580 29.310 -2.730 1
1 349 . 9 1 1 A 39 39 GLN N N 39 119.846 118.567 1.279 1
1 350 . 9 1 1 A 40 40 TRP H H 40 8.286 8.648 -0.362 1
1 351 . 9 1 1 A 40 40 TRP HA H 40 4.961 4.677 0.284 1
1 358 . 9 1 1 A 40 40 TRP C C 40 172.966 175.984 -3.018 1
1 359 . 9 1 1 A 40 40 TRP CA C 40 55.210 57.911 -2.701 1
1 360 . 9 1 1 A 40 40 TRP CB C 40 28.161 29.560 -1.399 1
1 361 . 9 1 1 A 40 40 TRP N N 40 121.182 124.876 -3.694 1
1 363 . 9 1 1 A 41 41 ALA H H 41 7.947 8.472 -0.525 1
1 364 . 9 1 1 A 41 41 ALA HA H 41 4.641 4.319 0.322 1
1 368 . 9 1 1 A 41 41 ALA C C 41 174.070 177.075 -3.005 1
1 369 . 9 1 1 A 41 41 ALA CA C 41 47.995 53.203 -5.208 1
1 370 . 9 1 1 A 41 41 ALA CB C 41 18.627 21.183 -2.556 1
1 371 . 9 1 1 A 41 41 ALA N N 41 126.752 129.122 -2.370 1
1 372 . 9 1 1 A 42 42 PRO HA H 42 4.240 4.067 0.173 1
1 377 . 9 1 1 A 42 42 PRO CA C 42 60.853 62.444 -1.591 1
1 378 . 9 1 1 A 42 42 PRO CB C 42 30.203 29.601 0.602 1
1 379 . 9 1 1 A 43 43 CYS H H 43 8.229 8.144 0.085 1
1 380 . 9 1 1 A 43 43 CYS HA H 43 4.643 5.099 -0.456 1
1 383 . 9 1 1 A 43 43 CYS C C 43 173.099 171.758 1.341 1
1 384 . 9 1 1 A 43 43 CYS CA C 43 53.574 56.538 -2.964 1
1 385 . 9 1 1 A 43 43 CYS CB C 43 39.464 45.265 -5.801 1
1 386 . 9 1 1 A 43 43 CYS N N 43 119.646 122.251 -2.605 1
1 387 . 9 1 1 A 44 44 ARG H H 44 8.931 9.306 -0.375 1
1 388 . 9 1 1 A 44 44 ARG HA H 44 4.653 4.736 -0.083 1
1 395 . 9 1 1 A 44 44 ARG C C 44 172.821 174.563 -1.742 1
1 396 . 9 1 1 A 44 44 ARG CA C 44 51.850 55.434 -3.584 1
1 397 . 9 1 1 A 44 44 ARG CB C 44 30.892 34.120 -3.228 1
1 400 . 9 1 1 A 44 44 ARG N N 44 128.546 126.014 2.532 1
1 401 . 9 1 1 A 45 45 VAL H H 45 8.242 8.592 -0.350 1
1 402 . 9 1 1 A 45 45 VAL HA H 45 4.625 4.571 0.054 1
1 410 . 9 1 1 A 45 45 VAL C C 45 172.339 174.987 -2.648 1
1 411 . 9 1 1 A 45 45 VAL CA C 45 59.800 62.490 -2.690 1
1 412 . 9 1 1 A 45 45 VAL CB C 45 29.914 32.950 -3.036 1
1 415 . 9 1 1 A 45 45 VAL N N 45 123.347 125.216 -1.869 1
1 416 . 9 1 1 A 46 46 ILE H H 46 9.161 9.261 -0.100 1
1 417 . 9 1 1 A 46 46 ILE HA H 46 4.241 4.721 -0.480 1
1 427 . 9 1 1 A 46 46 ILE C C 46 174.656 175.272 -0.616 1
1 428 . 9 1 1 A 46 46 ILE CA C 46 58.660 59.785 -1.125 1
1 429 . 9 1 1 A 46 46 ILE CB C 46 37.551 39.944 -2.393 1
1 432 . 9 1 1 A 46 46 ILE N N 46 128.086 128.567 -0.481 1
1 433 . 9 1 1 A 47 47 GLU H H 47 9.214 8.610 0.604 1
1 434 . 9 1 1 A 47 47 GLU HA H 47 4.182 4.750 -0.568 1
1 439 . 9 1 1 A 47 47 GLU C C 47 174.413 174.680 -0.267 1
1 440 . 9 1 1 A 47 47 GLU CA C 47 53.820 54.339 -0.519 1
1 441 . 9 1 1 A 47 47 GLU CB C 47 25.600 29.260 -3.660 1
1 443 . 9 1 1 A 47 47 GLU N N 47 129.614 126.333 3.281 1
1 444 . 9 1 1 A 48 48 PRO HA H 48 3.872 4.342 -0.470 1
1 451 . 9 1 1 A 48 48 PRO CA C 48 62.770 63.842 -1.072 1
1 452 . 9 1 1 A 48 48 PRO CB C 48 29.241 31.354 -2.113 1
1 455 . 9 1 1 A 49 49 GLY H H 49 8.330 8.543 -0.213 1
1 456 . 9 1 1 A 49 49 GLY HA2 H 49 4.140 3.982 0.158 1
1 457 . 9 1 1 A 49 49 GLY HA3 H 49 3.702 4.024 -0.322 1
1 458 . 9 1 1 A 49 49 GLY C C 49 176.101 174.583 1.518 1
1 459 . 9 1 1 A 49 49 GLY CA C 49 43.930 45.493 -1.563 1
1 460 . 9 1 1 A 49 49 GLY N N 49 115.617 113.126 2.491 1
1 461 . 9 1 1 A 50 50 GLY H H 50 8.496 8.689 -0.193 1
1 462 . 9 1 1 A 50 50 GLY HA2 H 50 4.374 4.107 0.267 1
1 463 . 9 1 1 A 50 50 GLY HA3 H 50 3.614 4.130 -0.516 1
1 464 . 9 1 1 A 50 50 GLY C C 50 172.758 173.650 -0.892 1
1 465 . 9 1 1 A 50 50 GLY CA C 50 42.550 44.368 -1.818 1
1 466 . 9 1 1 A 50 50 GLY N N 50 108.129 108.309 -0.180 1
1 467 . 9 1 1 A 51 51 TRP H H 51 8.184 8.767 -0.583 1
1 468 . 9 1 1 A 51 51 TRP HA H 51 5.778 6.492 -0.714 1
1 475 . 9 1 1 A 51 51 TRP C C 51 170.134 175.499 -5.365 1
1 476 . 9 1 1 A 51 51 TRP CA C 51 53.820 55.875 -2.055 1
1 477 . 9 1 1 A 51 51 TRP CB C 51 30.930 33.720 -2.790 1
1 478 . 9 1 1 A 51 51 TRP N N 51 117.328 120.410 -3.082 1
1 480 . 9 1 1 A 52 52 ALA H H 52 9.354 8.957 0.397 1
1 481 . 9 1 1 A 52 52 ALA HA H 52 4.654 4.901 -0.247 1
1 485 . 9 1 1 A 52 52 ALA C C 52 174.350 175.413 -1.063 1
1 486 . 9 1 1 A 52 52 ALA CA C 52 49.250 50.918 -1.668 1
1 487 . 9 1 1 A 52 52 ALA CB C 52 20.971 21.390 -0.419 1
1 488 . 9 1 1 A 52 52 ALA N N 52 122.785 123.130 -0.345 1
1 489 . 9 1 1 A 53 53 THR H H 53 8.059 8.457 -0.398 1
1 490 . 9 1 1 A 53 53 THR HA H 53 5.251 4.443 0.808 1
1 495 . 9 1 1 A 53 53 THR C C 53 173.703 173.839 -0.136 1
1 496 . 9 1 1 A 53 53 THR CA C 53 60.321 62.381 -2.060 1
1 497 . 9 1 1 A 53 53 THR CB C 53 69.150 69.105 0.045 1
1 499 . 9 1 1 A 53 53 THR N N 53 115.813 118.115 -2.302 1
1 500 . 9 1 1 A 54 54 PHE H H 54 9.370 8.332 1.038 1
1 501 . 9 1 1 A 54 54 PHE HA H 54 4.827 4.933 -0.106 1
1 508 . 9 1 1 A 54 54 PHE C C 54 171.593 174.944 -3.351 1
1 509 . 9 1 1 A 54 54 PHE CA C 54 53.813 56.568 -2.755 1
1 510 . 9 1 1 A 54 54 PHE CB C 54 40.556 42.932 -2.376 1
1 511 . 9 1 1 A 54 54 PHE N N 54 125.684 124.368 1.316 1
1 512 . 9 1 1 A 55 55 ALA H H 55 8.706 8.750 -0.044 1
1 513 . 9 1 1 A 55 55 ALA HA H 55 4.362 4.335 0.027 1
1 517 . 9 1 1 A 55 55 ALA C C 55 173.468 177.950 -4.482 1
1 518 . 9 1 1 A 55 55 ALA CA C 55 52.010 52.300 -0.290 1
1 519 . 9 1 1 A 55 55 ALA CB C 55 16.740 19.172 -2.432 1
1 520 . 9 1 1 A 55 55 ALA N N 55 124.175 125.989 -1.814 1
1 521 . 9 1 1 A 56 56 GLY H H 56 7.517 8.620 -1.103 1
1 522 . 9 1 1 A 56 56 GLY HA2 H 56 4.252 4.166 0.086 1
1 523 . 9 1 1 A 56 56 GLY HA3 H 56 3.339 4.230 -0.891 1
1 524 . 9 1 1 A 56 56 GLY C C 56 178.583 172.881 5.702 1
1 525 . 9 1 1 A 56 56 GLY CA C 56 42.282 44.835 -2.553 1
1 526 . 9 1 1 A 56 56 GLY N N 56 110.256 110.646 -0.390 1
1 527 . 9 1 1 A 57 57 TYR H H 57 7.154 8.861 -1.707 1
1 528 . 9 1 1 A 57 57 TYR HA H 57 4.516 5.112 -0.596 1
1 535 . 9 1 1 A 57 57 TYR C C 57 170.587 176.371 -5.784 1
1 536 . 9 1 1 A 57 57 TYR CA C 57 55.130 57.578 -2.448 1
1 537 . 9 1 1 A 57 57 TYR CB C 57 36.127 39.210 -3.083 1
1 538 . 9 1 1 A 57 57 TYR N N 57 113.618 118.139 -4.521 1
1 539 . 9 1 1 A 58 58 GLY H H 58 8.498 8.276 0.222 1
1 540 . 9 1 1 A 58 58 GLY HA2 H 58 3.946 4.015 -0.069 1
1 541 . 9 1 1 A 58 58 GLY HA3 H 58 3.420 4.096 -0.676 1
1 542 . 9 1 1 A 58 58 GLY C C 58 175.193 174.896 0.297 1
1 543 . 9 1 1 A 58 58 GLY CA C 58 43.806 44.308 -0.502 1
1 544 . 9 1 1 A 58 58 GLY N N 58 109.549 110.109 -0.560 1
1 545 . 9 1 1 A 59 59 THR H H 59 8.301 8.603 -0.302 1
1 546 . 9 1 1 A 59 59 THR HA H 59 4.277 3.958 0.319 1
1 547 . 9 1 1 A 59 59 THR C C 59 172.318 175.415 -3.097 1
1 548 . 9 1 1 A 59 59 THR CA C 59 60.637 65.969 -5.332 1
1 549 . 9 1 1 A 59 59 THR CB C 59 67.412 68.708 -1.296 1
1 550 . 9 1 1 A 59 59 THR N N 59 111.031 113.127 -2.096 1
1 551 . 9 1 1 A 60 60 ASP H H 60 8.414 8.047 0.367 1
1 552 . 9 1 1 A 60 60 ASP HA H 60 4.679 4.535 0.144 1
1 555 . 9 1 1 A 60 60 ASP C C 60 173.345 175.797 -2.452 1
1 556 . 9 1 1 A 60 60 ASP CA C 60 51.030 53.863 -2.833 1
1 557 . 9 1 1 A 60 60 ASP CB C 60 38.608 41.325 -2.717 1
1 558 . 9 1 1 A 60 60 ASP N N 60 120.007 118.126 1.881 1
1 559 . 9 1 1 A 61 61 GLY H H 61 7.967 7.562 0.405 1
1 560 . 9 1 1 A 61 61 GLY HA2 H 61 3.550 4.147 -0.597 1
1 561 . 9 1 1 A 61 61 GLY HA3 H 61 2.879 4.226 -1.347 1
1 562 . 9 1 1 A 61 61 GLY C C 61 175.339 173.601 1.738 1
1 563 . 9 1 1 A 61 61 GLY CA C 61 44.956 44.435 0.521 1
1 564 . 9 1 1 A 61 61 GLY N N 61 108.692 107.132 1.560 1
1 565 . 9 1 1 A 62 62 ASN H H 62 8.507 8.578 -0.071 1
1 566 . 9 1 1 A 62 62 ASN HA H 62 4.455 4.649 -0.194 1
1 571 . 9 1 1 A 62 62 ASN C C 62 172.217 173.836 -1.619 1
1 572 . 9 1 1 A 62 62 ASN CA C 62 48.627 53.940 -5.313 1
1 573 . 9 1 1 A 62 62 ASN CB C 62 34.339 37.283 -2.944 1
1 574 . 9 1 1 A 62 62 ASN N N 62 120.625 117.684 2.941 1
1 576 . 9 1 1 A 63 63 TYR H H 63 6.994 8.567 -1.573 1
1 577 . 9 1 1 A 63 63 TYR HA H 63 4.477 5.458 -0.981 1
1 580 . 9 1 1 A 63 63 TYR C C 63 172.042 174.557 -2.515 1
1 581 . 9 1 1 A 63 63 TYR CA C 63 56.210 55.777 0.433 1
1 582 . 9 1 1 A 63 63 TYR CB C 63 36.755 40.820 -4.065 1
1 583 . 9 1 1 A 63 63 TYR N N 63 116.333 124.911 -8.578 1
1 584 . 9 1 1 A 64 64 VAL H H 64 8.841 8.665 0.176 1
1 585 . 9 1 1 A 64 64 VAL HA H 64 3.689 3.701 -0.012 1
1 593 . 9 1 1 A 64 64 VAL C C 64 175.531 175.607 -0.076 1
1 594 . 9 1 1 A 64 64 VAL CA C 64 61.550 62.480 -0.930 1
1 595 . 9 1 1 A 64 64 VAL CB C 64 30.583 31.629 -1.046 1
1 598 . 9 1 1 A 64 64 VAL N N 64 123.889 127.239 -3.350 1
1 599 . 9 1 1 A 65 65 THR H H 65 8.850 9.207 -0.357 1
1 600 . 9 1 1 A 65 65 THR HA H 65 4.210 4.349 -0.139 1
1 605 . 9 1 1 A 65 65 THR C C 65 175.388 174.855 0.533 1
1 606 . 9 1 1 A 65 65 THR CA C 65 60.109 61.278 -1.169 1
1 607 . 9 1 1 A 65 65 THR CB C 65 66.710 70.417 -3.707 1
1 609 . 9 1 1 A 65 65 THR N N 65 119.739 118.982 0.757 1
1 610 . 9 1 1 A 66 66 GLY H H 66 6.907 7.352 -0.445 1
1 611 . 9 1 1 A 66 66 GLY HA2 H 66 3.769 4.310 -0.541 1
1 612 . 9 1 1 A 66 66 GLY HA3 H 66 3.583 4.331 -0.748 1
1 613 . 9 1 1 A 66 66 GLY C C 66 173.131 171.759 1.372 1
1 614 . 9 1 1 A 66 66 GLY CA C 66 42.950 44.841 -1.891 1
1 615 . 9 1 1 A 66 66 GLY N N 66 108.712 108.775 -0.063 1
1 616 . 9 1 1 A 67 67 LEU H H 67 7.723 8.914 -1.191 1
1 617 . 9 1 1 A 67 67 LEU HA H 67 4.628 4.976 -0.348 1
1 626 . 9 1 1 A 67 67 LEU C C 67 167.522 176.281 -8.759 1
1 627 . 9 1 1 A 67 67 LEU CA C 67 51.200 54.656 -3.456 1
1 628 . 9 1 1 A 67 67 LEU CB C 67 42.747 42.925 -0.178 1
1 631 . 9 1 1 A 67 67 LEU N N 67 118.448 126.506 -8.058 1
1 632 . 9 1 1 A 68 68 HIS H H 68 8.003 9.756 -1.753 1
1 633 . 9 1 1 A 68 68 HIS HA H 68 4.890 5.071 -0.181 1
1 637 . 9 1 1 A 68 68 HIS C C 68 174.161 173.937 0.224 1
1 638 . 9 1 1 A 68 68 HIS CA C 68 52.180 54.045 -1.865 1
1 639 . 9 1 1 A 68 68 HIS CB C 68 31.877 33.139 -1.262 1
1 640 . 9 1 1 A 68 68 HIS N N 68 116.650 121.945 -5.295 1
1 641 . 9 1 1 A 69 69 THR H H 69 8.515 8.716 -0.201 1
1 642 . 9 1 1 A 69 69 THR HA H 69 4.808 4.361 0.447 1
1 647 . 9 1 1 A 69 69 THR C C 69 172.511 174.055 -1.544 1
1 648 . 9 1 1 A 69 69 THR CA C 69 60.130 63.070 -2.940 1
1 649 . 9 1 1 A 69 69 THR CB C 69 67.840 69.010 -1.170 1
1 651 . 9 1 1 A 69 69 THR N N 69 114.721 117.849 -3.128 1
1 652 . 9 1 1 A 70 70 CYS H H 70 7.731 9.585 -1.854 1
1 653 . 9 1 1 A 70 70 CYS HA H 70 4.786 5.119 -0.333 1
1 656 . 9 1 1 A 70 70 CYS C C 70 172.053 172.980 -0.927 1
1 657 . 9 1 1 A 70 70 CYS CA C 70 51.950 54.771 -2.821 1
1 658 . 9 1 1 A 70 70 CYS CB C 70 43.320 44.251 -0.931 1
1 659 . 9 1 1 A 70 70 CYS N N 70 117.575 126.355 -8.780 1
1 660 . 9 1 1 A 71 71 ASP H H 71 8.370 8.595 -0.225 1
1 661 . 9 1 1 A 71 71 ASP HA H 71 4.993 5.178 -0.185 1
1 664 . 9 1 1 A 71 71 ASP C C 71 169.692 175.017 -5.325 1
1 665 . 9 1 1 A 71 71 ASP CA C 71 48.815 51.713 -2.898 1
1 666 . 9 1 1 A 71 71 ASP CB C 71 40.118 41.925 -1.807 1
1 667 . 9 1 1 A 71 71 ASP N N 71 120.975 123.269 -2.294 1
1 668 . 9 1 1 A 72 72 PRO HA H 72 4.145 4.396 -0.251 1
1 675 . 9 1 1 A 72 72 PRO CA C 72 61.360 62.946 -1.586 1
1 676 . 9 1 1 A 72 72 PRO CB C 72 30.141 31.118 -0.977 1
1 679 . 9 1 1 A 73 73 ALA H H 73 8.169 8.294 -0.125 1
1 680 . 9 1 1 A 73 73 ALA HA H 73 4.247 4.643 -0.396 1
1 684 . 9 1 1 A 73 73 ALA C C 73 174.353 175.879 -1.526 1
1 685 . 9 1 1 A 73 73 ALA CA C 73 50.370 51.896 -1.526 1
1 686 . 9 1 1 A 73 73 ALA CB C 73 17.230 20.377 -3.147 1
1 687 . 9 1 1 A 73 73 ALA N N 73 122.390 124.835 -2.445 1
1 688 . 9 1 1 A 74 74 THR H H 74 7.704 8.893 -1.189 1
1 689 . 9 1 1 A 74 74 THR C C 74 175.770 173.433 2.337 1
1 690 . 9 1 1 A 74 74 THR CA C 74 57.794 60.154 -2.360 1
1 691 . 9 1 1 A 74 74 THR CB C 74 67.994 69.483 -1.489 1
1 692 . 9 1 1 A 74 74 THR N N 74 114.834 118.705 -3.871 1
1 693 . 9 1 1 A 75 75 PRO HA H 75 4.386 4.555 -0.169 1
1 700 . 9 1 1 A 75 75 PRO CA C 75 61.440 63.168 -1.728 1
1 701 . 9 1 1 A 75 75 PRO CB C 75 30.088 31.899 -1.811 1
1 704 . 9 1 1 A 76 76 SER H H 76 8.209 8.641 -0.432 1
1 705 . 9 1 1 A 76 76 SER HA H 76 4.373 4.952 -0.579 1
1 708 . 9 1 1 A 76 76 SER C C 76 175.051 174.774 0.277 1
1 709 . 9 1 1 A 76 76 SER CA C 76 56.360 58.033 -1.673 1
1 710 . 9 1 1 A 76 76 SER CB C 76 61.939 65.113 -3.174 1
1 711 . 9 1 1 A 76 76 SER N N 76 115.319 112.957 2.362 1
1 712 . 9 1 1 A 77 77 GLY H H 77 8.124 8.038 0.086 1
1 713 . 9 1 1 A 77 77 GLY HA2 H 77 4.093 3.860 0.233 1
1 714 . 9 1 1 A 77 77 GLY HA3 H 77 3.577 3.884 -0.307 1
1 715 . 9 1 1 A 77 77 GLY C C 77 173.087 174.959 -1.872 1
1 716 . 9 1 1 A 77 77 GLY CA C 77 43.555 46.366 -2.811 1
1 717 . 9 1 1 A 77 77 GLY N N 77 110.791 110.294 0.497 1
1 3 . 10 1 1 A 1 1 ALA HA H 5 4.015 4.497 -0.482 1
1 7 . 10 1 1 A 2 2 THR H H 6 7.608 8.882 -1.274 1
1 8 . 10 1 1 A 2 2 THR C C 2 174.815 174.935 -0.120 1
1 9 . 10 1 1 A 2 2 THR CA C 2 56.801 66.515 -9.714 1
1 10 . 10 1 1 A 2 2 THR CB C 2 68.857 68.532 0.325 1
1 11 . 10 1 1 A 2 2 THR N N 6 113.279 124.086 -10.807 1
1 12 . 10 1 1 A 5 5 PRO HA H 5 4.493 4.497 -0.004 1
1 19 . 10 1 1 A 5 5 PRO CA C 5 61.290 62.340 -1.050 1
1 20 . 10 1 1 A 5 5 PRO CB C 5 30.190 30.752 -0.562 1
1 23 . 10 1 1 A 6 6 VAL H H 6 7.794 8.882 -1.088 1
1 24 . 10 1 1 A 6 6 VAL HA H 6 3.880 3.613 0.267 1
1 32 . 10 1 1 A 6 6 VAL C C 6 175.059 175.206 -0.147 1
1 33 . 10 1 1 A 6 6 VAL CA C 6 59.560 62.926 -3.366 1
1 34 . 10 1 1 A 6 6 VAL CB C 6 30.680 30.799 -0.119 1
1 37 . 10 1 1 A 6 6 VAL N N 6 118.616 124.086 -5.470 1
1 38 . 10 1 1 A 7 7 ALA H H 7 8.029 8.691 -0.662 1
1 39 . 10 1 1 A 7 7 ALA HA H 7 4.167 3.895 0.272 1
1 43 . 10 1 1 A 7 7 ALA C C 7 173.395 177.414 -4.019 1
1 44 . 10 1 1 A 7 7 ALA CA C 7 50.780 52.750 -1.970 1
1 45 . 10 1 1 A 7 7 ALA CB C 7 18.292 17.623 0.669 1
1 46 . 10 1 1 A 7 7 ALA N N 7 126.653 127.479 -0.826 1
1 47 . 10 1 1 A 8 8 GLU H H 8 8.587 8.223 0.364 1
1 48 . 10 1 1 A 8 8 GLU HA H 8 4.085 4.064 0.021 1
1 53 . 10 1 1 A 8 8 GLU C C 8 176.717 177.606 -0.889 1
1 54 . 10 1 1 A 8 8 GLU CA C 8 56.520 58.356 -1.836 1
1 55 . 10 1 1 A 8 8 GLU CB C 8 27.393 28.976 -1.583 1
1 57 . 10 1 1 A 8 8 GLU N N 8 118.049 123.668 -5.619 1
1 58 . 10 1 1 A 9 9 CYS H H 9 7.348 7.877 -0.529 1
1 59 . 10 1 1 A 9 9 CYS HA H 9 4.422 4.621 -0.199 1
1 62 . 10 1 1 A 9 9 CYS C C 9 173.399 173.609 -0.210 1
1 63 . 10 1 1 A 9 9 CYS CA C 9 51.850 58.303 -6.453 1
1 64 . 10 1 1 A 9 9 CYS CB C 9 38.617 43.203 -4.586 1
1 65 . 10 1 1 A 9 9 CYS N N 9 109.798 116.283 -6.485 1
1 66 . 10 1 1 A 10 10 VAL H H 10 7.682 7.950 -0.268 1
1 67 . 10 1 1 A 10 10 VAL HA H 10 4.483 4.371 0.112 1
1 75 . 10 1 1 A 10 10 VAL C C 10 172.261 174.983 -2.722 1
1 76 . 10 1 1 A 10 10 VAL CA C 10 60.360 61.308 -0.948 1
1 77 . 10 1 1 A 10 10 VAL CB C 10 29.445 33.080 -3.635 1
1 80 . 10 1 1 A 10 10 VAL N N 10 125.088 120.192 4.896 1
1 81 . 10 1 1 A 11 11 GLU H H 11 8.322 8.703 -0.381 1
1 82 . 10 1 1 A 11 11 GLU HA H 11 4.644 4.733 -0.089 1
1 87 . 10 1 1 A 11 11 GLU C C 11 172.004 174.734 -2.730 1
1 88 . 10 1 1 A 11 11 GLU CA C 11 51.852 54.743 -2.891 1
1 89 . 10 1 1 A 11 11 GLU CB C 11 31.925 33.391 -1.466 1
1 91 . 10 1 1 A 11 11 GLU N N 11 124.099 126.409 -2.310 1
1 92 . 10 1 1 A 12 12 TYR H H 12 7.843 8.538 -0.695 1
1 93 . 10 1 1 A 12 12 TYR HA H 12 5.697 6.281 -0.584 1
1 100 . 10 1 1 A 12 12 TYR C C 12 172.281 173.952 -1.671 1
1 101 . 10 1 1 A 12 12 TYR CA C 12 53.160 55.710 -2.550 1
1 102 . 10 1 1 A 12 12 TYR CB C 12 40.610 41.313 -0.703 1
1 103 . 10 1 1 A 12 12 TYR N N 12 115.283 125.175 -9.892 1
1 104 . 10 1 1 A 13 13 PHE H H 13 9.057 8.703 0.354 1
1 105 . 10 1 1 A 13 13 PHE HA H 13 4.750 5.280 -0.530 1
1 106 . 10 1 1 A 13 13 PHE C C 13 170.766 173.597 -2.831 1
1 107 . 10 1 1 A 13 13 PHE CA C 13 54.815 56.814 -1.999 1
1 108 . 10 1 1 A 13 13 PHE CB C 13 39.947 43.418 -3.471 1
1 109 . 10 1 1 A 13 13 PHE N N 13 119.347 120.302 -0.955 1
1 110 . 10 1 1 A 14 14 GLN HA H 14 5.302 4.927 0.375 1
1 113 . 10 1 1 A 14 14 GLN CA C 14 53.700 54.236 -0.536 1
1 114 . 10 1 1 A 14 14 GLN CB C 14 30.685 29.850 0.835 1
1 115 . 10 1 1 A 15 15 SER H H 15 8.657 9.218 -0.561 1
1 116 . 10 1 1 A 15 15 SER HA H 15 4.715 4.470 0.245 1
1 117 . 10 1 1 A 15 15 SER C C 15 172.296 172.636 -0.340 1
1 118 . 10 1 1 A 15 15 SER CA C 15 54.708 55.058 -0.350 1
1 119 . 10 1 1 A 15 15 SER CB C 15 64.456 64.992 -0.536 1
1 120 . 10 1 1 A 15 15 SER N N 15 119.667 120.430 -0.763 1
1 121 . 10 1 1 A 17 17 ARG HA H 17 3.413 3.982 -0.569 1
1 124 . 10 1 1 A 17 17 ARG CA C 17 55.648 57.371 -1.723 1
1 125 . 10 1 1 A 17 17 ARG CB C 17 29.496 29.371 0.125 1
1 126 . 10 1 1 A 18 18 TYR H H 18 6.870 7.401 -0.531 1
1 127 . 10 1 1 A 18 18 TYR HA H 18 5.233 4.982 0.251 1
1 134 . 10 1 1 A 18 18 TYR C C 18 174.107 174.251 -0.144 1
1 135 . 10 1 1 A 18 18 TYR CA C 18 54.231 57.651 -3.420 1
1 136 . 10 1 1 A 18 18 TYR CB C 18 40.725 41.190 -0.465 1
1 137 . 10 1 1 A 18 18 TYR N N 18 114.525 117.730 -3.205 1
1 138 . 10 1 1 A 19 19 THR H H 19 8.684 9.207 -0.523 1
1 139 . 10 1 1 A 19 19 THR HA H 19 5.061 5.623 -0.562 1
1 144 . 10 1 1 A 19 19 THR C C 19 173.054 173.342 -0.288 1
1 145 . 10 1 1 A 19 19 THR CA C 19 60.704 62.189 -1.485 1
1 146 . 10 1 1 A 19 19 THR CB C 19 67.997 68.553 -0.556 1
1 148 . 10 1 1 A 19 19 THR N N 19 119.368 123.179 -3.811 1
1 149 . 10 1 1 A 20 20 ASP H H 20 8.975 8.441 0.534 1
1 150 . 10 1 1 A 20 20 ASP HA H 20 5.690 4.725 0.965 1
1 153 . 10 1 1 A 20 20 ASP C C 20 171.832 174.527 -2.695 1
1 154 . 10 1 1 A 20 20 ASP CA C 20 52.039 52.701 -0.662 1
1 155 . 10 1 1 A 20 20 ASP CB C 20 42.292 40.548 1.744 1
1 156 . 10 1 1 A 20 20 ASP N N 20 128.307 126.643 1.664 1
1 157 . 10 1 1 A 21 21 VAL H H 21 9.496 8.331 1.165 1
1 158 . 10 1 1 A 21 21 VAL HA H 21 4.775 4.840 -0.065 1
1 166 . 10 1 1 A 21 21 VAL C C 21 173.611 174.533 -0.922 1
1 167 . 10 1 1 A 21 21 VAL CA C 21 59.478 60.586 -1.108 1
1 168 . 10 1 1 A 21 21 VAL CB C 21 32.243 33.584 -1.341 1
1 171 . 10 1 1 A 21 21 VAL N N 21 123.356 125.415 -2.059 1
1 172 . 10 1 1 A 22 22 HIS H H 22 8.973 8.485 0.488 1
1 173 . 10 1 1 A 22 22 HIS HA H 22 4.622 5.936 -1.314 1
1 177 . 10 1 1 A 22 22 HIS C C 22 171.626 173.945 -2.319 1
1 178 . 10 1 1 A 22 22 HIS CA C 22 49.980 54.455 -4.475 1
1 179 . 10 1 1 A 22 22 HIS CB C 22 28.390 31.541 -3.151 1
1 180 . 10 1 1 A 22 22 HIS N N 22 124.534 126.999 -2.465 1
1 181 . 10 1 1 A 23 23 ASN H H 23 8.317 9.146 -0.829 1
1 182 . 10 1 1 A 23 23 ASN HA H 23 4.517 4.886 -0.369 1
1 185 . 10 1 1 A 23 23 ASN C C 23 171.836 176.029 -4.193 1
1 186 . 10 1 1 A 23 23 ASN CA C 23 49.380 53.325 -3.945 1
1 187 . 10 1 1 A 23 23 ASN CB C 23 36.018 39.907 -3.889 1
1 188 . 10 1 1 A 23 23 ASN N N 23 123.095 124.165 -1.070 1
1 189 . 10 1 1 A 24 24 GLY H H 24 7.602 8.511 -0.909 1
1 190 . 10 1 1 A 24 24 GLY HA2 H 24 4.051 4.240 -0.189 1
1 191 . 10 1 1 A 24 24 GLY HA3 H 24 3.381 4.241 -0.860 1
1 192 . 10 1 1 A 24 24 GLY C C 24 171.684 174.963 -3.279 1
1 193 . 10 1 1 A 24 24 GLY CA C 24 42.936 45.731 -2.795 1
1 194 . 10 1 1 A 24 24 GLY N N 24 113.217 109.960 3.257 1
1 195 . 10 1 1 A 25 25 CYS H H 25 8.145 8.191 -0.046 1
1 196 . 10 1 1 A 25 25 CYS HA H 25 4.544 4.720 -0.176 1
1 199 . 10 1 1 A 25 25 CYS C C 25 172.305 173.742 -1.437 1
1 200 . 10 1 1 A 25 25 CYS CA C 25 50.790 56.697 -5.907 1
1 201 . 10 1 1 A 25 25 CYS CB C 25 39.528 43.183 -3.655 1
1 202 . 10 1 1 A 25 25 CYS N N 25 119.843 117.890 1.953 1
1 203 . 10 1 1 A 26 26 ALA H H 26 8.111 7.942 0.169 1
1 204 . 10 1 1 A 26 26 ALA HA H 26 4.084 4.044 0.040 1
1 208 . 10 1 1 A 26 26 ALA C C 26 172.481 175.520 -3.039 1
1 209 . 10 1 1 A 26 26 ALA CA C 26 50.950 54.563 -3.613 1
1 210 . 10 1 1 A 26 26 ALA CB C 26 17.251 17.880 -0.629 1
1 211 . 10 1 1 A 26 26 ALA N N 26 119.852 122.180 -2.328 1
1 212 . 10 1 1 A 27 27 ASP H H 27 6.938 7.626 -0.688 1
1 213 . 10 1 1 A 27 27 ASP HA H 27 4.787 5.227 -0.440 1
1 216 . 10 1 1 A 27 27 ASP C C 27 174.263 174.699 -0.436 1
1 217 . 10 1 1 A 27 27 ASP CA C 27 49.550 52.286 -2.736 1
1 218 . 10 1 1 A 27 27 ASP CB C 27 42.250 43.972 -1.722 1
1 219 . 10 1 1 A 27 27 ASP N N 27 113.761 116.310 -2.549 1
1 220 . 10 1 1 A 28 28 ALA H H 28 8.454 8.393 0.061 1
1 221 . 10 1 1 A 28 28 ALA HA H 28 3.986 5.010 -1.024 1
1 225 . 10 1 1 A 28 28 ALA C C 28 173.188 177.725 -4.537 1
1 226 . 10 1 1 A 28 28 ALA CA C 28 50.550 52.369 -1.819 1
1 227 . 10 1 1 A 28 28 ALA CB C 28 16.820 19.029 -2.209 1
1 228 . 10 1 1 A 28 28 ALA N N 28 121.635 123.682 -2.047 1
1 229 . 10 1 1 A 29 29 VAL H H 29 7.742 8.856 -1.114 1
1 230 . 10 1 1 A 29 29 VAL HA H 29 4.553 4.855 -0.302 1
1 238 . 10 1 1 A 29 29 VAL C C 29 174.826 174.333 0.493 1
1 239 . 10 1 1 A 29 29 VAL CA C 29 57.140 59.403 -2.263 1
1 240 . 10 1 1 A 29 29 VAL CB C 29 33.000 35.062 -2.062 1
1 243 . 10 1 1 A 29 29 VAL N N 29 113.732 118.254 -4.522 1
1 244 . 10 1 1 A 30 30 SER H H 30 8.101 8.875 -0.774 1
1 245 . 10 1 1 A 30 30 SER HA H 30 5.338 4.941 0.397 1
1 248 . 10 1 1 A 30 30 SER C C 30 171.613 174.461 -2.848 1
1 249 . 10 1 1 A 30 30 SER CA C 30 54.310 58.230 -3.920 1
1 250 . 10 1 1 A 30 30 SER CB C 30 62.237 63.947 -1.710 1
1 251 . 10 1 1 A 30 30 SER N N 30 118.729 121.901 -3.172 1
1 252 . 10 1 1 A 31 31 VAL H H 31 8.780 9.515 -0.735 1
1 253 . 10 1 1 A 31 31 VAL HA H 31 5.146 5.326 -0.180 1
1 261 . 10 1 1 A 31 31 VAL C C 31 172.831 174.260 -1.429 1
1 262 . 10 1 1 A 31 31 VAL CA C 31 56.940 59.717 -2.777 1
1 263 . 10 1 1 A 31 31 VAL CB C 31 35.030 34.870 0.160 1
1 266 . 10 1 1 A 31 31 VAL N N 31 119.018 120.659 -1.641 1
1 267 . 10 1 1 A 32 32 THR H H 32 8.366 8.873 -0.507 1
1 268 . 10 1 1 A 32 32 THR HA H 32 4.498 4.722 -0.224 1
1 273 . 10 1 1 A 32 32 THR C C 32 171.480 172.326 -0.846 1
1 274 . 10 1 1 A 32 32 THR CA C 32 57.100 60.292 -3.192 1
1 275 . 10 1 1 A 32 32 THR CB C 32 67.767 70.649 -2.882 1
1 277 . 10 1 1 A 32 32 THR N N 32 115.885 116.586 -0.701 1
1 278 . 10 1 1 A 33 33 VAL H H 33 6.720 8.421 -1.701 1
1 279 . 10 1 1 A 33 33 VAL HA H 33 3.950 4.984 -1.034 1
1 287 . 10 1 1 A 33 33 VAL C C 33 169.808 173.222 -3.414 1
1 288 . 10 1 1 A 33 33 VAL CA C 33 57.990 58.958 -0.968 1
1 289 . 10 1 1 A 33 33 VAL CB C 33 32.331 34.904 -2.573 1
1 292 . 10 1 1 A 33 33 VAL N N 33 119.716 120.685 -0.969 1
1 293 . 10 1 1 A 34 34 GLU H H 34 7.670 9.105 -1.435 1
1 294 . 10 1 1 A 34 34 GLU HA H 34 4.187 4.625 -0.438 1
1 297 . 10 1 1 A 34 34 GLU C C 34 171.032 174.982 -3.950 1
1 298 . 10 1 1 A 34 34 GLU CA C 34 51.930 54.123 -2.193 1
1 299 . 10 1 1 A 34 34 GLU CB C 34 29.430 31.358 -1.928 1
1 300 . 10 1 1 A 34 34 GLU N N 34 123.182 124.359 -1.177 1
1 301 . 10 1 1 A 35 35 TYR H H 35 8.500 8.763 -0.263 1
1 302 . 10 1 1 A 35 35 TYR HA H 35 4.646 4.922 -0.276 1
1 309 . 10 1 1 A 35 35 TYR C C 35 172.817 177.178 -4.361 1
1 310 . 10 1 1 A 35 35 TYR CA C 35 55.880 57.912 -2.032 1
1 311 . 10 1 1 A 35 35 TYR CB C 35 38.300 40.354 -2.054 1
1 312 . 10 1 1 A 35 35 TYR N N 35 122.953 126.299 -3.346 1
1 313 . 10 1 1 A 36 36 THR H H 36 8.295 9.208 -0.913 1
1 314 . 10 1 1 A 36 36 THR HA H 36 3.731 3.996 -0.265 1
1 319 . 10 1 1 A 36 36 THR C C 36 175.873 174.813 1.060 1
1 320 . 10 1 1 A 36 36 THR CA C 36 65.169 66.237 -1.068 1
1 321 . 10 1 1 A 36 36 THR CB C 36 67.700 68.742 -1.042 1
1 323 . 10 1 1 A 36 36 THR N N 36 119.739 117.328 2.411 1
1 324 . 10 1 1 A 37 37 HIS H H 37 8.755 7.937 0.818 1
1 325 . 10 1 1 A 37 37 HIS HA H 37 4.807 4.712 0.095 1
1 329 . 10 1 1 A 37 37 HIS C C 37 173.381 176.267 -2.886 1
1 330 . 10 1 1 A 37 37 HIS CA C 37 53.412 57.565 -4.153 1
1 331 . 10 1 1 A 37 37 HIS CB C 37 27.137 30.927 -3.790 1
1 332 . 10 1 1 A 37 37 HIS N N 37 115.916 116.933 -1.017 1
1 333 . 10 1 1 A 38 38 GLY H H 38 7.856 7.494 0.362 1
1 334 . 10 1 1 A 38 38 GLY HA2 H 38 4.091 4.149 -0.058 1
1 335 . 10 1 1 A 38 38 GLY HA3 H 38 3.795 4.217 -0.422 1
1 336 . 10 1 1 A 38 38 GLY C C 38 174.479 174.306 0.173 1
1 337 . 10 1 1 A 38 38 GLY CA C 38 43.935 45.405 -1.470 1
1 338 . 10 1 1 A 38 38 GLY N N 38 106.387 103.971 2.416 1
1 339 . 10 1 1 A 39 39 GLN H H 39 8.096 7.801 0.295 1
1 340 . 10 1 1 A 39 39 GLN HA H 39 4.239 4.326 -0.087 1
1 345 . 10 1 1 A 39 39 GLN C C 39 171.748 175.886 -4.138 1
1 346 . 10 1 1 A 39 39 GLN CA C 39 55.050 56.430 -1.380 1
1 347 . 10 1 1 A 39 39 GLN CB C 39 26.580 29.374 -2.794 1
1 349 . 10 1 1 A 39 39 GLN N N 39 119.846 118.723 1.123 1
1 350 . 10 1 1 A 40 40 TRP H H 40 8.286 8.726 -0.440 1
1 351 . 10 1 1 A 40 40 TRP HA H 40 4.961 4.697 0.264 1
1 358 . 10 1 1 A 40 40 TRP C C 40 172.966 175.935 -2.969 1
1 359 . 10 1 1 A 40 40 TRP CA C 40 55.210 58.299 -3.089 1
1 360 . 10 1 1 A 40 40 TRP CB C 40 28.161 29.853 -1.692 1
1 361 . 10 1 1 A 40 40 TRP N N 40 121.182 125.571 -4.389 1
1 363 . 10 1 1 A 41 41 ALA H H 41 7.947 8.387 -0.440 1
1 364 . 10 1 1 A 41 41 ALA HA H 41 4.641 4.198 0.443 1
1 368 . 10 1 1 A 41 41 ALA C C 41 174.070 177.398 -3.328 1
1 369 . 10 1 1 A 41 41 ALA CA C 41 47.995 52.961 -4.966 1
1 370 . 10 1 1 A 41 41 ALA CB C 41 18.627 21.226 -2.599 1
1 371 . 10 1 1 A 41 41 ALA N N 41 126.752 129.107 -2.355 1
1 372 . 10 1 1 A 42 42 PRO HA H 42 4.240 4.060 0.180 1
1 377 . 10 1 1 A 42 42 PRO CA C 42 60.853 62.319 -1.466 1
1 378 . 10 1 1 A 42 42 PRO CB C 42 30.203 29.110 1.093 1
1 379 . 10 1 1 A 43 43 CYS H H 43 8.229 8.774 -0.545 1
1 380 . 10 1 1 A 43 43 CYS HA H 43 4.643 5.255 -0.612 1
1 383 . 10 1 1 A 43 43 CYS C C 43 173.099 172.070 1.029 1
1 384 . 10 1 1 A 43 43 CYS CA C 43 53.574 56.059 -2.485 1
1 385 . 10 1 1 A 43 43 CYS CB C 43 39.464 44.746 -5.282 1
1 386 . 10 1 1 A 43 43 CYS N N 43 119.646 121.322 -1.676 1
1 387 . 10 1 1 A 44 44 ARG H H 44 8.931 9.574 -0.643 1
1 388 . 10 1 1 A 44 44 ARG HA H 44 4.653 5.025 -0.372 1
1 395 . 10 1 1 A 44 44 ARG C C 44 172.821 174.745 -1.924 1
1 396 . 10 1 1 A 44 44 ARG CA C 44 51.850 54.377 -2.527 1
1 397 . 10 1 1 A 44 44 ARG CB C 44 30.892 33.801 -2.909 1
1 400 . 10 1 1 A 44 44 ARG N N 44 128.546 127.920 0.626 1
1 401 . 10 1 1 A 45 45 VAL H H 45 8.242 8.623 -0.381 1
1 402 . 10 1 1 A 45 45 VAL HA H 45 4.625 4.584 0.041 1
1 410 . 10 1 1 A 45 45 VAL C C 45 172.339 175.408 -3.069 1
1 411 . 10 1 1 A 45 45 VAL CA C 45 59.800 62.502 -2.702 1
1 412 . 10 1 1 A 45 45 VAL CB C 45 29.914 32.964 -3.050 1
1 415 . 10 1 1 A 45 45 VAL N N 45 123.347 126.320 -2.973 1
1 416 . 10 1 1 A 46 46 ILE H H 46 9.161 9.361 -0.200 1
1 417 . 10 1 1 A 46 46 ILE HA H 46 4.241 4.648 -0.407 1
1 427 . 10 1 1 A 46 46 ILE C C 46 174.656 175.761 -1.105 1
1 428 . 10 1 1 A 46 46 ILE CA C 46 58.660 60.258 -1.598 1
1 429 . 10 1 1 A 46 46 ILE CB C 46 37.551 39.767 -2.216 1
1 432 . 10 1 1 A 46 46 ILE N N 46 128.086 129.173 -1.087 1
1 433 . 10 1 1 A 47 47 GLU H H 47 9.214 8.678 0.536 1
1 434 . 10 1 1 A 47 47 GLU HA H 47 4.182 4.720 -0.538 1
1 439 . 10 1 1 A 47 47 GLU C C 47 174.413 174.832 -0.419 1
1 440 . 10 1 1 A 47 47 GLU CA C 47 53.820 54.375 -0.555 1
1 441 . 10 1 1 A 47 47 GLU CB C 47 25.600 29.368 -3.768 1
1 443 . 10 1 1 A 47 47 GLU N N 47 129.614 126.511 3.103 1
1 444 . 10 1 1 A 48 48 PRO HA H 48 3.872 4.303 -0.431 1
1 451 . 10 1 1 A 48 48 PRO CA C 48 62.770 63.846 -1.076 1
1 452 . 10 1 1 A 48 48 PRO CB C 48 29.241 31.357 -2.116 1
1 455 . 10 1 1 A 49 49 GLY H H 49 8.330 8.462 -0.132 1
1 456 . 10 1 1 A 49 49 GLY HA2 H 49 4.140 3.978 0.162 1
1 457 . 10 1 1 A 49 49 GLY HA3 H 49 3.702 4.018 -0.316 1
1 458 . 10 1 1 A 49 49 GLY C C 49 176.101 174.414 1.687 1
1 459 . 10 1 1 A 49 49 GLY CA C 49 43.930 45.489 -1.559 1
1 460 . 10 1 1 A 49 49 GLY N N 49 115.617 113.059 2.558 1
1 461 . 10 1 1 A 50 50 GLY H H 50 8.496 8.759 -0.263 1
1 462 . 10 1 1 A 50 50 GLY HA2 H 50 4.374 4.094 0.280 1
1 463 . 10 1 1 A 50 50 GLY HA3 H 50 3.614 4.118 -0.504 1
1 464 . 10 1 1 A 50 50 GLY C C 50 172.758 173.751 -0.993 1
1 465 . 10 1 1 A 50 50 GLY CA C 50 42.550 44.132 -1.582 1
1 466 . 10 1 1 A 50 50 GLY N N 50 108.129 108.250 -0.121 1
1 467 . 10 1 1 A 51 51 TRP H H 51 8.184 8.703 -0.519 1
1 468 . 10 1 1 A 51 51 TRP HA H 51 5.778 6.345 -0.567 1
1 475 . 10 1 1 A 51 51 TRP C C 51 170.134 175.518 -5.384 1
1 476 . 10 1 1 A 51 51 TRP CA C 51 53.820 55.717 -1.897 1
1 477 . 10 1 1 A 51 51 TRP CB C 51 30.930 34.094 -3.164 1
1 478 . 10 1 1 A 51 51 TRP N N 51 117.328 120.131 -2.803 1
1 480 . 10 1 1 A 52 52 ALA H H 52 9.354 8.906 0.448 1
1 481 . 10 1 1 A 52 52 ALA HA H 52 4.654 4.820 -0.166 1
1 485 . 10 1 1 A 52 52 ALA C C 52 174.350 175.492 -1.142 1
1 486 . 10 1 1 A 52 52 ALA CA C 52 49.250 50.951 -1.701 1
1 487 . 10 1 1 A 52 52 ALA CB C 52 20.971 21.047 -0.076 1
1 488 . 10 1 1 A 52 52 ALA N N 52 122.785 123.155 -0.370 1
1 489 . 10 1 1 A 53 53 THR H H 53 8.059 8.455 -0.396 1
1 490 . 10 1 1 A 53 53 THR HA H 53 5.251 4.436 0.815 1
1 495 . 10 1 1 A 53 53 THR C C 53 173.703 173.753 -0.050 1
1 496 . 10 1 1 A 53 53 THR CA C 53 60.321 62.594 -2.273 1
1 497 . 10 1 1 A 53 53 THR CB C 53 69.150 69.093 0.057 1
1 499 . 10 1 1 A 53 53 THR N N 53 115.813 117.738 -1.925 1
1 500 . 10 1 1 A 54 54 PHE H H 54 9.370 8.720 0.650 1
1 501 . 10 1 1 A 54 54 PHE HA H 54 4.827 4.940 -0.113 1
1 508 . 10 1 1 A 54 54 PHE C C 54 171.593 175.106 -3.513 1
1 509 . 10 1 1 A 54 54 PHE CA C 54 53.813 56.431 -2.618 1
1 510 . 10 1 1 A 54 54 PHE CB C 54 40.556 43.169 -2.613 1
1 511 . 10 1 1 A 54 54 PHE N N 54 125.684 124.460 1.224 1
1 512 . 10 1 1 A 55 55 ALA H H 55 8.706 8.307 0.399 1
1 513 . 10 1 1 A 55 55 ALA HA H 55 4.362 4.409 -0.047 1
1 517 . 10 1 1 A 55 55 ALA C C 55 173.468 177.591 -4.123 1
1 518 . 10 1 1 A 55 55 ALA CA C 55 52.010 51.840 0.170 1
1 519 . 10 1 1 A 55 55 ALA CB C 55 16.740 18.599 -1.859 1
1 520 . 10 1 1 A 55 55 ALA N N 55 124.175 125.806 -1.631 1
1 521 . 10 1 1 A 56 56 GLY H H 56 7.517 8.406 -0.889 1
1 522 . 10 1 1 A 56 56 GLY HA2 H 56 4.252 4.131 0.121 1
1 523 . 10 1 1 A 56 56 GLY HA3 H 56 3.339 4.210 -0.871 1
1 524 . 10 1 1 A 56 56 GLY C C 56 178.583 173.133 5.450 1
1 525 . 10 1 1 A 56 56 GLY CA C 56 42.282 44.663 -2.381 1
1 526 . 10 1 1 A 56 56 GLY N N 56 110.256 110.614 -0.358 1
1 527 . 10 1 1 A 57 57 TYR H H 57 7.154 9.064 -1.910 1
1 528 . 10 1 1 A 57 57 TYR HA H 57 4.516 5.354 -0.838 1
1 535 . 10 1 1 A 57 57 TYR C C 57 170.587 176.336 -5.749 1
1 536 . 10 1 1 A 57 57 TYR CA C 57 55.130 57.507 -2.377 1
1 537 . 10 1 1 A 57 57 TYR CB C 57 36.127 37.986 -1.859 1
1 538 . 10 1 1 A 57 57 TYR N N 57 113.618 118.712 -5.094 1
1 539 . 10 1 1 A 58 58 GLY H H 58 8.498 8.147 0.351 1
1 540 . 10 1 1 A 58 58 GLY HA2 H 58 3.946 4.017 -0.071 1
1 541 . 10 1 1 A 58 58 GLY HA3 H 58 3.420 4.036 -0.616 1
1 542 . 10 1 1 A 58 58 GLY C C 58 175.193 173.791 1.402 1
1 543 . 10 1 1 A 58 58 GLY CA C 58 43.806 45.638 -1.832 1
1 544 . 10 1 1 A 58 58 GLY N N 58 109.549 109.785 -0.236 1
1 545 . 10 1 1 A 59 59 THR H H 59 8.301 7.340 0.961 1
1 546 . 10 1 1 A 59 59 THR HA H 59 4.277 4.661 -0.384 1
1 547 . 10 1 1 A 59 59 THR C C 59 172.318 173.533 -1.215 1
1 548 . 10 1 1 A 59 59 THR CA C 59 60.637 59.952 0.685 1
1 549 . 10 1 1 A 59 59 THR CB C 59 67.412 71.550 -4.138 1
1 550 . 10 1 1 A 59 59 THR N N 59 111.031 114.609 -3.578 1
1 551 . 10 1 1 A 60 60 ASP H H 60 8.414 9.375 -0.961 1
1 552 . 10 1 1 A 60 60 ASP HA H 60 4.679 4.255 0.424 1
1 555 . 10 1 1 A 60 60 ASP C C 60 173.345 176.287 -2.942 1
1 556 . 10 1 1 A 60 60 ASP CA C 60 51.030 55.337 -4.307 1
1 557 . 10 1 1 A 60 60 ASP CB C 60 38.608 39.217 -0.609 1
1 558 . 10 1 1 A 60 60 ASP N N 60 120.007 128.536 -8.529 1
1 559 . 10 1 1 A 61 61 GLY H H 61 7.967 8.623 -0.656 1
1 560 . 10 1 1 A 61 61 GLY HA2 H 61 3.550 3.859 -0.309 1
1 561 . 10 1 1 A 61 61 GLY HA3 H 61 2.879 3.919 -1.040 1
1 562 . 10 1 1 A 61 61 GLY C C 61 175.339 174.310 1.029 1
1 563 . 10 1 1 A 61 61 GLY CA C 61 44.956 45.660 -0.704 1
1 564 . 10 1 1 A 61 61 GLY N N 61 108.692 104.950 3.742 1
1 565 . 10 1 1 A 62 62 ASN H H 62 8.507 8.058 0.449 1
1 566 . 10 1 1 A 62 62 ASN HA H 62 4.455 5.105 -0.650 1
1 571 . 10 1 1 A 62 62 ASN C C 62 172.217 174.133 -1.916 1
1 572 . 10 1 1 A 62 62 ASN CA C 62 48.627 53.609 -4.982 1
1 573 . 10 1 1 A 62 62 ASN CB C 62 34.339 39.270 -4.931 1
1 574 . 10 1 1 A 62 62 ASN N N 62 120.625 119.063 1.562 1
1 576 . 10 1 1 A 63 63 TYR H H 63 6.994 9.019 -2.025 1
1 577 . 10 1 1 A 63 63 TYR HA H 63 4.477 5.323 -0.846 1
1 580 . 10 1 1 A 63 63 TYR C C 63 172.042 174.543 -2.501 1
1 581 . 10 1 1 A 63 63 TYR CA C 63 56.210 56.043 0.167 1
1 582 . 10 1 1 A 63 63 TYR CB C 63 36.755 41.663 -4.908 1
1 583 . 10 1 1 A 63 63 TYR N N 63 116.333 124.576 -8.243 1
1 584 . 10 1 1 A 64 64 VAL H H 64 8.841 8.823 0.018 1
1 585 . 10 1 1 A 64 64 VAL HA H 64 3.689 3.815 -0.126 1
1 593 . 10 1 1 A 64 64 VAL C C 64 175.531 175.567 -0.036 1
1 594 . 10 1 1 A 64 64 VAL CA C 64 61.550 62.629 -1.079 1
1 595 . 10 1 1 A 64 64 VAL CB C 64 30.583 31.728 -1.145 1
1 598 . 10 1 1 A 64 64 VAL N N 64 123.889 126.948 -3.059 1
1 599 . 10 1 1 A 65 65 THR H H 65 8.850 9.296 -0.446 1
1 600 . 10 1 1 A 65 65 THR HA H 65 4.210 4.336 -0.126 1
1 605 . 10 1 1 A 65 65 THR C C 65 175.388 175.240 0.148 1
1 606 . 10 1 1 A 65 65 THR CA C 65 60.109 61.450 -1.341 1
1 607 . 10 1 1 A 65 65 THR CB C 65 66.710 70.262 -3.552 1
1 609 . 10 1 1 A 65 65 THR N N 65 119.739 119.314 0.425 1
1 610 . 10 1 1 A 66 66 GLY H H 66 6.907 7.442 -0.535 1
1 611 . 10 1 1 A 66 66 GLY HA2 H 66 3.769 4.223 -0.454 1
1 612 . 10 1 1 A 66 66 GLY HA3 H 66 3.583 4.240 -0.657 1
1 613 . 10 1 1 A 66 66 GLY C C 66 173.131 171.818 1.313 1
1 614 . 10 1 1 A 66 66 GLY CA C 66 42.950 44.691 -1.741 1
1 615 . 10 1 1 A 66 66 GLY N N 66 108.712 108.969 -0.257 1
1 616 . 10 1 1 A 67 67 LEU H H 67 7.723 8.819 -1.096 1
1 617 . 10 1 1 A 67 67 LEU HA H 67 4.628 4.813 -0.185 1
1 626 . 10 1 1 A 67 67 LEU C C 67 167.522 175.592 -8.070 1
1 627 . 10 1 1 A 67 67 LEU CA C 67 51.200 54.638 -3.438 1
1 628 . 10 1 1 A 67 67 LEU CB C 67 42.747 42.415 0.332 1
1 631 . 10 1 1 A 67 67 LEU N N 67 118.448 126.444 -7.996 1
1 632 . 10 1 1 A 68 68 HIS H H 68 8.003 9.219 -1.216 1
1 633 . 10 1 1 A 68 68 HIS HA H 68 4.890 4.984 -0.094 1
1 637 . 10 1 1 A 68 68 HIS C C 68 174.161 174.211 -0.050 1
1 638 . 10 1 1 A 68 68 HIS CA C 68 52.180 54.471 -2.291 1
1 639 . 10 1 1 A 68 68 HIS CB C 68 31.877 33.644 -1.767 1
1 640 . 10 1 1 A 68 68 HIS N N 68 116.650 119.304 -2.654 1
1 641 . 10 1 1 A 69 69 THR H H 69 8.515 8.787 -0.272 1
1 642 . 10 1 1 A 69 69 THR HA H 69 4.808 4.429 0.379 1
1 647 . 10 1 1 A 69 69 THR C C 69 172.511 174.072 -1.561 1
1 648 . 10 1 1 A 69 69 THR CA C 69 60.130 62.929 -2.799 1
1 649 . 10 1 1 A 69 69 THR CB C 69 67.840 69.027 -1.187 1
1 651 . 10 1 1 A 69 69 THR N N 69 114.721 116.809 -2.088 1
1 652 . 10 1 1 A 70 70 CYS H H 70 7.731 10.043 -2.312 1
1 653 . 10 1 1 A 70 70 CYS HA H 70 4.786 5.144 -0.358 1
1 656 . 10 1 1 A 70 70 CYS C C 70 172.053 172.685 -0.632 1
1 657 . 10 1 1 A 70 70 CYS CA C 70 51.950 55.060 -3.110 1
1 658 . 10 1 1 A 70 70 CYS CB C 70 43.320 44.942 -1.622 1
1 659 . 10 1 1 A 70 70 CYS N N 70 117.575 126.343 -8.768 1
1 660 . 10 1 1 A 71 71 ASP H H 71 8.370 8.973 -0.603 1
1 661 . 10 1 1 A 71 71 ASP HA H 71 4.993 5.250 -0.257 1
1 664 . 10 1 1 A 71 71 ASP C C 71 169.692 174.130 -4.438 1
1 665 . 10 1 1 A 71 71 ASP CA C 71 48.815 51.320 -2.505 1
1 666 . 10 1 1 A 71 71 ASP CB C 71 40.118 43.533 -3.415 1
1 667 . 10 1 1 A 71 71 ASP N N 71 120.975 121.300 -0.325 1
1 668 . 10 1 1 A 72 72 PRO HA H 72 4.145 4.412 -0.267 1
1 675 . 10 1 1 A 72 72 PRO CA C 72 61.360 63.245 -1.885 1
1 676 . 10 1 1 A 72 72 PRO CB C 72 30.141 31.523 -1.382 1
1 679 . 10 1 1 A 73 73 ALA H H 73 8.169 8.236 -0.067 1
1 680 . 10 1 1 A 73 73 ALA HA H 73 4.247 4.661 -0.414 1
1 684 . 10 1 1 A 73 73 ALA C C 73 174.353 175.693 -1.340 1
1 685 . 10 1 1 A 73 73 ALA CA C 73 50.370 51.750 -1.380 1
1 686 . 10 1 1 A 73 73 ALA CB C 73 17.230 18.910 -1.680 1
1 687 . 10 1 1 A 73 73 ALA N N 73 122.390 125.355 -2.965 1
1 688 . 10 1 1 A 74 74 THR H H 74 7.704 8.629 -0.925 1
1 689 . 10 1 1 A 74 74 THR C C 74 175.770 173.608 2.162 1
1 690 . 10 1 1 A 74 74 THR CA C 74 57.794 59.996 -2.202 1
1 691 . 10 1 1 A 74 74 THR CB C 74 67.994 69.098 -1.104 1
1 692 . 10 1 1 A 74 74 THR N N 74 114.834 114.065 0.769 1
1 693 . 10 1 1 A 75 75 PRO HA H 75 4.386 4.837 -0.451 1
1 700 . 10 1 1 A 75 75 PRO CA C 75 61.440 62.458 -1.018 1
1 701 . 10 1 1 A 75 75 PRO CB C 75 30.088 32.579 -2.491 1
1 704 . 10 1 1 A 76 76 SER H H 76 8.209 8.759 -0.550 1
1 705 . 10 1 1 A 76 76 SER HA H 76 4.373 4.787 -0.414 1
1 708 . 10 1 1 A 76 76 SER C C 76 175.051 174.535 0.516 1
1 709 . 10 1 1 A 76 76 SER CA C 76 56.360 58.545 -2.185 1
1 710 . 10 1 1 A 76 76 SER CB C 76 61.939 64.165 -2.226 1
1 711 . 10 1 1 A 76 76 SER N N 76 115.319 117.335 -2.016 1
1 712 . 10 1 1 A 77 77 GLY H H 77 8.124 8.683 -0.559 1
1 713 . 10 1 1 A 77 77 GLY HA2 H 77 4.093 4.086 0.007 1
1 714 . 10 1 1 A 77 77 GLY HA3 H 77 3.577 4.094 -0.517 1
1 715 . 10 1 1 A 77 77 GLY C C 77 173.087 173.043 0.044 1
1 716 . 10 1 1 A 77 77 GLY CA C 77 43.555 44.561 -1.006 1
1 717 . 10 1 1 A 77 77 GLY N N 77 110.791 117.062 -6.271 1
1 3 . 11 1 1 A 1 1 ALA HA H 5 4.015 4.437 -0.422 1
1 7 . 11 1 1 A 2 2 THR H H 6 7.608 8.655 -1.047 1
1 8 . 11 1 1 A 2 2 THR C C 2 174.815 172.961 1.854 1
1 9 . 11 1 1 A 2 2 THR CA C 2 56.801 60.157 -3.356 1
1 10 . 11 1 1 A 2 2 THR CB C 2 68.857 70.726 -1.869 1
1 11 . 11 1 1 A 2 2 THR N N 6 113.279 121.586 -8.307 1
1 12 . 11 1 1 A 5 5 PRO HA H 5 4.493 4.437 0.056 1
1 19 . 11 1 1 A 5 5 PRO CA C 5 61.290 62.710 -1.420 1
1 20 . 11 1 1 A 5 5 PRO CB C 5 30.190 32.104 -1.914 1
1 23 . 11 1 1 A 6 6 VAL H H 6 7.794 8.655 -0.861 1
1 24 . 11 1 1 A 6 6 VAL HA H 6 3.880 4.470 -0.590 1
1 32 . 11 1 1 A 6 6 VAL C C 6 175.059 176.586 -1.527 1
1 33 . 11 1 1 A 6 6 VAL CA C 6 59.560 63.709 -4.149 1
1 34 . 11 1 1 A 6 6 VAL CB C 6 30.680 31.644 -0.964 1
1 37 . 11 1 1 A 6 6 VAL N N 6 118.616 121.586 -2.970 1
1 38 . 11 1 1 A 7 7 ALA H H 7 8.029 8.548 -0.519 1
1 39 . 11 1 1 A 7 7 ALA HA H 7 4.167 4.086 0.081 1
1 43 . 11 1 1 A 7 7 ALA C C 7 173.395 177.907 -4.512 1
1 44 . 11 1 1 A 7 7 ALA CA C 7 50.780 52.198 -1.418 1
1 45 . 11 1 1 A 7 7 ALA CB C 7 18.292 19.235 -0.943 1
1 46 . 11 1 1 A 7 7 ALA N N 7 126.653 129.562 -2.909 1
1 47 . 11 1 1 A 8 8 GLU H H 8 8.587 7.764 0.823 1
1 48 . 11 1 1 A 8 8 GLU HA H 8 4.085 3.772 0.313 1
1 53 . 11 1 1 A 8 8 GLU C C 8 176.717 176.480 0.237 1
1 54 . 11 1 1 A 8 8 GLU CA C 8 56.520 58.527 -2.007 1
1 55 . 11 1 1 A 8 8 GLU CB C 8 27.393 27.067 0.326 1
1 57 . 11 1 1 A 8 8 GLU N N 8 118.049 112.423 5.626 1
1 58 . 11 1 1 A 9 9 CYS H H 9 7.348 8.233 -0.885 1
1 59 . 11 1 1 A 9 9 CYS HA H 9 4.422 4.577 -0.155 1
1 62 . 11 1 1 A 9 9 CYS C C 9 173.399 173.562 -0.163 1
1 63 . 11 1 1 A 9 9 CYS CA C 9 51.850 57.669 -5.819 1
1 64 . 11 1 1 A 9 9 CYS CB C 9 38.617 42.797 -4.180 1
1 65 . 11 1 1 A 9 9 CYS N N 9 109.798 116.583 -6.785 1
1 66 . 11 1 1 A 10 10 VAL H H 10 7.682 7.424 0.258 1
1 67 . 11 1 1 A 10 10 VAL HA H 10 4.483 4.468 0.015 1
1 75 . 11 1 1 A 10 10 VAL C C 10 172.261 174.300 -2.039 1
1 76 . 11 1 1 A 10 10 VAL CA C 10 60.360 60.449 -0.089 1
1 77 . 11 1 1 A 10 10 VAL CB C 10 29.445 33.454 -4.009 1
1 80 . 11 1 1 A 10 10 VAL N N 10 125.088 118.030 7.058 1
1 81 . 11 1 1 A 11 11 GLU H H 11 8.322 8.917 -0.595 1
1 82 . 11 1 1 A 11 11 GLU HA H 11 4.644 4.852 -0.208 1
1 87 . 11 1 1 A 11 11 GLU C C 11 172.004 174.716 -2.712 1
1 88 . 11 1 1 A 11 11 GLU CA C 11 51.852 54.477 -2.625 1
1 89 . 11 1 1 A 11 11 GLU CB C 11 31.925 33.426 -1.501 1
1 91 . 11 1 1 A 11 11 GLU N N 11 124.099 124.775 -0.676 1
1 92 . 11 1 1 A 12 12 TYR H H 12 7.843 8.606 -0.763 1
1 93 . 11 1 1 A 12 12 TYR HA H 12 5.697 6.360 -0.663 1
1 100 . 11 1 1 A 12 12 TYR C C 12 172.281 174.057 -1.776 1
1 101 . 11 1 1 A 12 12 TYR CA C 12 53.160 55.839 -2.679 1
1 102 . 11 1 1 A 12 12 TYR CB C 12 40.610 41.070 -0.460 1
1 103 . 11 1 1 A 12 12 TYR N N 12 115.283 125.581 -10.298 1
1 104 . 11 1 1 A 13 13 PHE H H 13 9.057 8.812 0.245 1
1 105 . 11 1 1 A 13 13 PHE HA H 13 4.750 5.155 -0.405 1
1 106 . 11 1 1 A 13 13 PHE C C 13 170.766 173.421 -2.655 1
1 107 . 11 1 1 A 13 13 PHE CA C 13 54.815 56.727 -1.912 1
1 108 . 11 1 1 A 13 13 PHE CB C 13 39.947 43.206 -3.259 1
1 109 . 11 1 1 A 13 13 PHE N N 13 119.347 120.760 -1.413 1
1 110 . 11 1 1 A 14 14 GLN HA H 14 5.302 4.971 0.331 1
1 113 . 11 1 1 A 14 14 GLN CA C 14 53.700 54.302 -0.602 1
1 114 . 11 1 1 A 14 14 GLN CB C 14 30.685 30.487 0.198 1
1 115 . 11 1 1 A 15 15 SER H H 15 8.657 8.504 0.153 1
1 116 . 11 1 1 A 15 15 SER HA H 15 4.715 4.270 0.445 1
1 117 . 11 1 1 A 15 15 SER C C 15 172.296 174.070 -1.774 1
1 118 . 11 1 1 A 15 15 SER CA C 15 54.708 55.091 -0.383 1
1 119 . 11 1 1 A 15 15 SER CB C 15 64.456 65.419 -0.963 1
1 120 . 11 1 1 A 15 15 SER N N 15 119.667 117.320 2.347 1
1 121 . 11 1 1 A 17 17 ARG HA H 17 3.413 4.547 -1.134 1
1 124 . 11 1 1 A 17 17 ARG CA C 17 55.648 55.305 0.343 1
1 125 . 11 1 1 A 17 17 ARG CB C 17 29.496 30.935 -1.439 1
1 126 . 11 1 1 A 18 18 TYR H H 18 6.870 7.665 -0.795 1
1 127 . 11 1 1 A 18 18 TYR HA H 18 5.233 5.073 0.160 1
1 134 . 11 1 1 A 18 18 TYR C C 18 174.107 174.180 -0.073 1
1 135 . 11 1 1 A 18 18 TYR CA C 18 54.231 57.606 -3.375 1
1 136 . 11 1 1 A 18 18 TYR CB C 18 40.725 40.853 -0.128 1
1 137 . 11 1 1 A 18 18 TYR N N 18 114.525 121.609 -7.084 1
1 138 . 11 1 1 A 19 19 THR H H 19 8.684 9.385 -0.701 1
1 139 . 11 1 1 A 19 19 THR HA H 19 5.061 5.345 -0.284 1
1 144 . 11 1 1 A 19 19 THR C C 19 173.054 173.446 -0.392 1
1 145 . 11 1 1 A 19 19 THR CA C 19 60.704 62.403 -1.699 1
1 146 . 11 1 1 A 19 19 THR CB C 19 67.997 68.666 -0.669 1
1 148 . 11 1 1 A 19 19 THR N N 19 119.368 123.776 -4.408 1
1 149 . 11 1 1 A 20 20 ASP H H 20 8.975 8.807 0.168 1
1 150 . 11 1 1 A 20 20 ASP HA H 20 5.690 4.817 0.873 1
1 153 . 11 1 1 A 20 20 ASP C C 20 171.832 174.541 -2.709 1
1 154 . 11 1 1 A 20 20 ASP CA C 20 52.039 52.652 -0.613 1
1 155 . 11 1 1 A 20 20 ASP CB C 20 42.292 40.600 1.692 1
1 156 . 11 1 1 A 20 20 ASP N N 20 128.307 126.910 1.397 1
1 157 . 11 1 1 A 21 21 VAL H H 21 9.496 8.355 1.141 1
1 158 . 11 1 1 A 21 21 VAL HA H 21 4.775 4.783 -0.008 1
1 166 . 11 1 1 A 21 21 VAL C C 21 173.611 174.549 -0.938 1
1 167 . 11 1 1 A 21 21 VAL CA C 21 59.478 60.618 -1.140 1
1 168 . 11 1 1 A 21 21 VAL CB C 21 32.243 33.678 -1.435 1
1 171 . 11 1 1 A 21 21 VAL N N 21 123.356 125.272 -1.916 1
1 172 . 11 1 1 A 22 22 HIS H H 22 8.973 8.579 0.394 1
1 173 . 11 1 1 A 22 22 HIS HA H 22 4.622 5.910 -1.288 1
1 177 . 11 1 1 A 22 22 HIS C C 22 171.626 173.776 -2.150 1
1 178 . 11 1 1 A 22 22 HIS CA C 22 49.980 54.458 -4.478 1
1 179 . 11 1 1 A 22 22 HIS CB C 22 28.390 31.486 -3.096 1
1 180 . 11 1 1 A 22 22 HIS N N 22 124.534 126.818 -2.284 1
1 181 . 11 1 1 A 23 23 ASN H H 23 8.317 9.082 -0.765 1
1 182 . 11 1 1 A 23 23 ASN HA H 23 4.517 4.791 -0.274 1
1 185 . 11 1 1 A 23 23 ASN C C 23 171.836 176.106 -4.270 1
1 186 . 11 1 1 A 23 23 ASN CA C 23 49.380 53.521 -4.141 1
1 187 . 11 1 1 A 23 23 ASN CB C 23 36.018 39.937 -3.919 1
1 188 . 11 1 1 A 23 23 ASN N N 23 123.095 124.271 -1.176 1
1 189 . 11 1 1 A 24 24 GLY H H 24 7.602 8.696 -1.094 1
1 190 . 11 1 1 A 24 24 GLY HA2 H 24 4.051 4.242 -0.191 1
1 191 . 11 1 1 A 24 24 GLY HA3 H 24 3.381 4.242 -0.861 1
1 192 . 11 1 1 A 24 24 GLY C C 24 171.684 175.224 -3.540 1
1 193 . 11 1 1 A 24 24 GLY CA C 24 42.936 45.724 -2.788 1
1 194 . 11 1 1 A 24 24 GLY N N 24 113.217 110.383 2.834 1
1 195 . 11 1 1 A 25 25 CYS H H 25 8.145 7.985 0.160 1
1 196 . 11 1 1 A 25 25 CYS HA H 25 4.544 4.607 -0.063 1
1 199 . 11 1 1 A 25 25 CYS C C 25 172.305 173.687 -1.382 1
1 200 . 11 1 1 A 25 25 CYS CA C 25 50.790 57.285 -6.495 1
1 201 . 11 1 1 A 25 25 CYS CB C 25 39.528 43.250 -3.722 1
1 202 . 11 1 1 A 25 25 CYS N N 25 119.843 118.110 1.733 1
1 203 . 11 1 1 A 26 26 ALA H H 26 8.111 7.928 0.183 1
1 204 . 11 1 1 A 26 26 ALA HA H 26 4.084 4.044 0.040 1
1 208 . 11 1 1 A 26 26 ALA C C 26 172.481 175.480 -2.999 1
1 209 . 11 1 1 A 26 26 ALA CA C 26 50.950 54.559 -3.609 1
1 210 . 11 1 1 A 26 26 ALA CB C 26 17.251 17.888 -0.637 1
1 211 . 11 1 1 A 26 26 ALA N N 26 119.852 122.041 -2.189 1
1 212 . 11 1 1 A 27 27 ASP H H 27 6.938 7.581 -0.643 1
1 213 . 11 1 1 A 27 27 ASP HA H 27 4.787 5.249 -0.462 1
1 216 . 11 1 1 A 27 27 ASP C C 27 174.263 174.516 -0.253 1
1 217 . 11 1 1 A 27 27 ASP CA C 27 49.550 52.116 -2.566 1
1 218 . 11 1 1 A 27 27 ASP CB C 27 42.250 44.109 -1.859 1
1 219 . 11 1 1 A 27 27 ASP N N 27 113.761 116.099 -2.338 1
1 220 . 11 1 1 A 28 28 ALA H H 28 8.454 8.370 0.084 1
1 221 . 11 1 1 A 28 28 ALA HA H 28 3.986 4.897 -0.911 1
1 225 . 11 1 1 A 28 28 ALA C C 28 173.188 177.665 -4.477 1
1 226 . 11 1 1 A 28 28 ALA CA C 28 50.550 52.348 -1.798 1
1 227 . 11 1 1 A 28 28 ALA CB C 28 16.820 18.947 -2.127 1
1 228 . 11 1 1 A 28 28 ALA N N 28 121.635 123.177 -1.542 1
1 229 . 11 1 1 A 29 29 VAL H H 29 7.742 8.888 -1.146 1
1 230 . 11 1 1 A 29 29 VAL HA H 29 4.553 4.847 -0.294 1
1 238 . 11 1 1 A 29 29 VAL C C 29 174.826 174.161 0.665 1
1 239 . 11 1 1 A 29 29 VAL CA C 29 57.140 59.344 -2.204 1
1 240 . 11 1 1 A 29 29 VAL CB C 29 33.000 35.163 -2.163 1
1 243 . 11 1 1 A 29 29 VAL N N 29 113.732 118.211 -4.479 1
1 244 . 11 1 1 A 30 30 SER H H 30 8.101 8.747 -0.646 1
1 245 . 11 1 1 A 30 30 SER HA H 30 5.338 5.125 0.213 1
1 248 . 11 1 1 A 30 30 SER C C 30 171.613 174.251 -2.638 1
1 249 . 11 1 1 A 30 30 SER CA C 30 54.310 58.067 -3.757 1
1 250 . 11 1 1 A 30 30 SER CB C 30 62.237 64.035 -1.798 1
1 251 . 11 1 1 A 30 30 SER N N 30 118.729 120.733 -2.004 1
1 252 . 11 1 1 A 31 31 VAL H H 31 8.780 9.775 -0.995 1
1 253 . 11 1 1 A 31 31 VAL HA H 31 5.146 4.948 0.198 1
1 261 . 11 1 1 A 31 31 VAL C C 31 172.831 174.165 -1.334 1
1 262 . 11 1 1 A 31 31 VAL CA C 31 56.940 59.234 -2.294 1
1 263 . 11 1 1 A 31 31 VAL CB C 31 35.030 34.971 0.059 1
1 266 . 11 1 1 A 31 31 VAL N N 31 119.018 119.999 -0.981 1
1 267 . 11 1 1 A 32 32 THR H H 32 8.366 9.689 -1.323 1
1 268 . 11 1 1 A 32 32 THR HA H 32 4.498 5.059 -0.561 1
1 273 . 11 1 1 A 32 32 THR C C 32 171.480 172.619 -1.139 1
1 274 . 11 1 1 A 32 32 THR CA C 32 57.100 59.316 -2.216 1
1 275 . 11 1 1 A 32 32 THR CB C 32 67.767 72.235 -4.468 1
1 277 . 11 1 1 A 32 32 THR N N 32 115.885 118.134 -2.249 1
1 278 . 11 1 1 A 33 33 VAL H H 33 6.720 8.483 -1.763 1
1 279 . 11 1 1 A 33 33 VAL HA H 33 3.950 4.958 -1.008 1
1 287 . 11 1 1 A 33 33 VAL C C 33 169.808 173.124 -3.316 1
1 288 . 11 1 1 A 33 33 VAL CA C 33 57.990 58.748 -0.758 1
1 289 . 11 1 1 A 33 33 VAL CB C 33 32.331 34.661 -2.330 1
1 292 . 11 1 1 A 33 33 VAL N N 33 119.716 120.001 -0.285 1
1 293 . 11 1 1 A 34 34 GLU H H 34 7.670 9.007 -1.337 1
1 294 . 11 1 1 A 34 34 GLU HA H 34 4.187 4.483 -0.296 1
1 297 . 11 1 1 A 34 34 GLU C C 34 171.032 174.748 -3.716 1
1 298 . 11 1 1 A 34 34 GLU CA C 34 51.930 54.126 -2.196 1
1 299 . 11 1 1 A 34 34 GLU CB C 34 29.430 30.694 -1.264 1
1 300 . 11 1 1 A 34 34 GLU N N 34 123.182 123.953 -0.771 1
1 301 . 11 1 1 A 35 35 TYR H H 35 8.500 8.813 -0.313 1
1 302 . 11 1 1 A 35 35 TYR HA H 35 4.646 4.933 -0.287 1
1 309 . 11 1 1 A 35 35 TYR C C 35 172.817 177.246 -4.429 1
1 310 . 11 1 1 A 35 35 TYR CA C 35 55.880 57.936 -2.056 1
1 311 . 11 1 1 A 35 35 TYR CB C 35 38.300 40.376 -2.076 1
1 312 . 11 1 1 A 35 35 TYR N N 35 122.953 125.430 -2.477 1
1 313 . 11 1 1 A 36 36 THR H H 36 8.295 9.302 -1.007 1
1 314 . 11 1 1 A 36 36 THR HA H 36 3.731 3.917 -0.186 1
1 319 . 11 1 1 A 36 36 THR C C 36 175.873 175.486 0.387 1
1 320 . 11 1 1 A 36 36 THR CA C 36 65.169 66.568 -1.399 1
1 321 . 11 1 1 A 36 36 THR CB C 36 67.700 68.614 -0.914 1
1 323 . 11 1 1 A 36 36 THR N N 36 119.739 117.838 1.901 1
1 324 . 11 1 1 A 37 37 HIS H H 37 8.755 7.840 0.915 1
1 325 . 11 1 1 A 37 37 HIS HA H 37 4.807 4.620 0.187 1
1 329 . 11 1 1 A 37 37 HIS C C 37 173.381 176.511 -3.130 1
1 330 . 11 1 1 A 37 37 HIS CA C 37 53.412 57.792 -4.380 1
1 331 . 11 1 1 A 37 37 HIS CB C 37 27.137 30.872 -3.735 1
1 332 . 11 1 1 A 37 37 HIS N N 37 115.916 115.487 0.429 1
1 333 . 11 1 1 A 38 38 GLY H H 38 7.856 7.535 0.321 1
1 334 . 11 1 1 A 38 38 GLY HA2 H 38 4.091 4.123 -0.032 1
1 335 . 11 1 1 A 38 38 GLY HA3 H 38 3.795 4.167 -0.372 1
1 336 . 11 1 1 A 38 38 GLY C C 38 174.479 174.109 0.370 1
1 337 . 11 1 1 A 38 38 GLY CA C 38 43.935 45.562 -1.627 1
1 338 . 11 1 1 A 38 38 GLY N N 38 106.387 103.830 2.557 1
1 339 . 11 1 1 A 39 39 GLN H H 39 8.096 8.384 -0.288 1
1 340 . 11 1 1 A 39 39 GLN HA H 39 4.239 4.290 -0.051 1
1 345 . 11 1 1 A 39 39 GLN C C 39 171.748 175.432 -3.684 1
1 346 . 11 1 1 A 39 39 GLN CA C 39 55.050 55.480 -0.430 1
1 347 . 11 1 1 A 39 39 GLN CB C 39 26.580 29.027 -2.447 1
1 349 . 11 1 1 A 39 39 GLN N N 39 119.846 120.199 -0.353 1
1 350 . 11 1 1 A 40 40 TRP H H 40 8.286 8.741 -0.455 1
1 351 . 11 1 1 A 40 40 TRP HA H 40 4.961 4.788 0.173 1
1 358 . 11 1 1 A 40 40 TRP C C 40 172.966 176.306 -3.340 1
1 359 . 11 1 1 A 40 40 TRP CA C 40 55.210 56.811 -1.601 1
1 360 . 11 1 1 A 40 40 TRP CB C 40 28.161 29.141 -0.980 1
1 361 . 11 1 1 A 40 40 TRP N N 40 121.182 127.464 -6.282 1
1 363 . 11 1 1 A 41 41 ALA H H 41 7.947 8.370 -0.423 1
1 364 . 11 1 1 A 41 41 ALA HA H 41 4.641 4.391 0.250 1
1 368 . 11 1 1 A 41 41 ALA C C 41 174.070 176.379 -2.309 1
1 369 . 11 1 1 A 41 41 ALA CA C 41 47.995 51.432 -3.437 1
1 370 . 11 1 1 A 41 41 ALA CB C 41 18.627 20.410 -1.783 1
1 371 . 11 1 1 A 41 41 ALA N N 41 126.752 129.933 -3.181 1
1 372 . 11 1 1 A 42 42 PRO HA H 42 4.240 4.325 -0.085 1
1 377 . 11 1 1 A 42 42 PRO CA C 42 60.853 62.325 -1.472 1
1 378 . 11 1 1 A 42 42 PRO CB C 42 30.203 28.935 1.268 1
1 379 . 11 1 1 A 43 43 CYS H H 43 8.229 7.907 0.322 1
1 380 . 11 1 1 A 43 43 CYS HA H 43 4.643 4.963 -0.320 1
1 383 . 11 1 1 A 43 43 CYS C C 43 173.099 171.542 1.557 1
1 384 . 11 1 1 A 43 43 CYS CA C 43 53.574 56.566 -2.992 1
1 385 . 11 1 1 A 43 43 CYS CB C 43 39.464 45.437 -5.973 1
1 386 . 11 1 1 A 43 43 CYS N N 43 119.646 121.654 -2.008 1
1 387 . 11 1 1 A 44 44 ARG H H 44 8.931 9.184 -0.253 1
1 388 . 11 1 1 A 44 44 ARG HA H 44 4.653 4.740 -0.087 1
1 395 . 11 1 1 A 44 44 ARG C C 44 172.821 174.580 -1.759 1
1 396 . 11 1 1 A 44 44 ARG CA C 44 51.850 55.464 -3.614 1
1 397 . 11 1 1 A 44 44 ARG CB C 44 30.892 33.881 -2.989 1
1 400 . 11 1 1 A 44 44 ARG N N 44 128.546 125.798 2.748 1
1 401 . 11 1 1 A 45 45 VAL H H 45 8.242 8.607 -0.365 1
1 402 . 11 1 1 A 45 45 VAL HA H 45 4.625 4.380 0.245 1
1 410 . 11 1 1 A 45 45 VAL C C 45 172.339 175.215 -2.876 1
1 411 . 11 1 1 A 45 45 VAL CA C 45 59.800 62.471 -2.671 1
1 412 . 11 1 1 A 45 45 VAL CB C 45 29.914 32.879 -2.965 1
1 415 . 11 1 1 A 45 45 VAL N N 45 123.347 125.120 -1.773 1
1 416 . 11 1 1 A 46 46 ILE H H 46 9.161 9.283 -0.122 1
1 417 . 11 1 1 A 46 46 ILE HA H 46 4.241 4.745 -0.504 1
1 427 . 11 1 1 A 46 46 ILE C C 46 174.656 175.559 -0.903 1
1 428 . 11 1 1 A 46 46 ILE CA C 46 58.660 59.785 -1.125 1
1 429 . 11 1 1 A 46 46 ILE CB C 46 37.551 39.968 -2.417 1
1 432 . 11 1 1 A 46 46 ILE N N 46 128.086 128.606 -0.520 1
1 433 . 11 1 1 A 47 47 GLU H H 47 9.214 8.627 0.587 1
1 434 . 11 1 1 A 47 47 GLU HA H 47 4.182 4.713 -0.531 1
1 439 . 11 1 1 A 47 47 GLU C C 47 174.413 174.923 -0.510 1
1 440 . 11 1 1 A 47 47 GLU CA C 47 53.820 54.481 -0.661 1
1 441 . 11 1 1 A 47 47 GLU CB C 47 25.600 29.274 -3.674 1
1 443 . 11 1 1 A 47 47 GLU N N 47 129.614 126.811 2.803 1
1 444 . 11 1 1 A 48 48 PRO HA H 48 3.872 4.400 -0.528 1
1 451 . 11 1 1 A 48 48 PRO CA C 48 62.770 63.831 -1.061 1
1 452 . 11 1 1 A 48 48 PRO CB C 48 29.241 31.349 -2.108 1
1 455 . 11 1 1 A 49 49 GLY H H 49 8.330 8.608 -0.278 1
1 456 . 11 1 1 A 49 49 GLY HA2 H 49 4.140 3.974 0.166 1
1 457 . 11 1 1 A 49 49 GLY HA3 H 49 3.702 4.015 -0.313 1
1 458 . 11 1 1 A 49 49 GLY C C 49 176.101 174.423 1.678 1
1 459 . 11 1 1 A 49 49 GLY CA C 49 43.930 45.396 -1.466 1
1 460 . 11 1 1 A 49 49 GLY N N 49 115.617 113.065 2.552 1
1 461 . 11 1 1 A 50 50 GLY H H 50 8.496 8.702 -0.206 1
1 462 . 11 1 1 A 50 50 GLY HA2 H 50 4.374 4.101 0.273 1
1 463 . 11 1 1 A 50 50 GLY HA3 H 50 3.614 4.123 -0.509 1
1 464 . 11 1 1 A 50 50 GLY C C 50 172.758 173.694 -0.936 1
1 465 . 11 1 1 A 50 50 GLY CA C 50 42.550 44.222 -1.672 1
1 466 . 11 1 1 A 50 50 GLY N N 50 108.129 108.254 -0.125 1
1 467 . 11 1 1 A 51 51 TRP H H 51 8.184 8.705 -0.521 1
1 468 . 11 1 1 A 51 51 TRP HA H 51 5.778 6.392 -0.614 1
1 475 . 11 1 1 A 51 51 TRP C C 51 170.134 175.411 -5.277 1
1 476 . 11 1 1 A 51 51 TRP CA C 51 53.820 55.866 -2.046 1
1 477 . 11 1 1 A 51 51 TRP CB C 51 30.930 33.718 -2.788 1
1 478 . 11 1 1 A 51 51 TRP N N 51 117.328 120.224 -2.896 1
1 480 . 11 1 1 A 52 52 ALA H H 52 9.354 9.005 0.349 1
1 481 . 11 1 1 A 52 52 ALA HA H 52 4.654 4.939 -0.285 1
1 485 . 11 1 1 A 52 52 ALA C C 52 174.350 175.433 -1.083 1
1 486 . 11 1 1 A 52 52 ALA CA C 52 49.250 50.895 -1.645 1
1 487 . 11 1 1 A 52 52 ALA CB C 52 20.971 21.157 -0.186 1
1 488 . 11 1 1 A 52 52 ALA N N 52 122.785 123.095 -0.310 1
1 489 . 11 1 1 A 53 53 THR H H 53 8.059 8.469 -0.410 1
1 490 . 11 1 1 A 53 53 THR HA H 53 5.251 4.564 0.687 1
1 495 . 11 1 1 A 53 53 THR C C 53 173.703 173.998 -0.295 1
1 496 . 11 1 1 A 53 53 THR CA C 53 60.321 62.494 -2.173 1
1 497 . 11 1 1 A 53 53 THR CB C 53 69.150 68.800 0.350 1
1 499 . 11 1 1 A 53 53 THR N N 53 115.813 118.077 -2.264 1
1 500 . 11 1 1 A 54 54 PHE H H 54 9.370 8.372 0.998 1
1 501 . 11 1 1 A 54 54 PHE HA H 54 4.827 4.954 -0.127 1
1 508 . 11 1 1 A 54 54 PHE C C 54 171.593 175.001 -3.408 1
1 509 . 11 1 1 A 54 54 PHE CA C 54 53.813 56.364 -2.551 1
1 510 . 11 1 1 A 54 54 PHE CB C 54 40.556 42.821 -2.265 1
1 511 . 11 1 1 A 54 54 PHE N N 54 125.684 124.572 1.112 1
1 512 . 11 1 1 A 55 55 ALA H H 55 8.706 8.727 -0.021 1
1 513 . 11 1 1 A 55 55 ALA HA H 55 4.362 4.237 0.125 1
1 517 . 11 1 1 A 55 55 ALA C C 55 173.468 178.159 -4.691 1
1 518 . 11 1 1 A 55 55 ALA CA C 55 52.010 52.451 -0.441 1
1 519 . 11 1 1 A 55 55 ALA CB C 55 16.740 19.128 -2.388 1
1 520 . 11 1 1 A 55 55 ALA N N 55 124.175 126.360 -2.185 1
1 521 . 11 1 1 A 56 56 GLY H H 56 7.517 8.770 -1.253 1
1 522 . 11 1 1 A 56 56 GLY HA2 H 56 4.252 4.138 0.114 1
1 523 . 11 1 1 A 56 56 GLY HA3 H 56 3.339 4.194 -0.855 1
1 524 . 11 1 1 A 56 56 GLY C C 56 178.583 173.108 5.475 1
1 525 . 11 1 1 A 56 56 GLY CA C 56 42.282 44.552 -2.270 1
1 526 . 11 1 1 A 56 56 GLY N N 56 110.256 110.689 -0.433 1
1 527 . 11 1 1 A 57 57 TYR H H 57 7.154 8.808 -1.654 1
1 528 . 11 1 1 A 57 57 TYR HA H 57 4.516 5.758 -1.242 1
1 535 . 11 1 1 A 57 57 TYR C C 57 170.587 176.085 -5.498 1
1 536 . 11 1 1 A 57 57 TYR CA C 57 55.130 57.107 -1.977 1
1 537 . 11 1 1 A 57 57 TYR CB C 57 36.127 38.153 -2.026 1
1 538 . 11 1 1 A 57 57 TYR N N 57 113.618 118.022 -4.404 1
1 539 . 11 1 1 A 58 58 GLY H H 58 8.498 8.414 0.084 1
1 540 . 11 1 1 A 58 58 GLY HA2 H 58 3.946 4.065 -0.119 1
1 541 . 11 1 1 A 58 58 GLY HA3 H 58 3.420 4.106 -0.686 1
1 542 . 11 1 1 A 58 58 GLY C C 58 175.193 175.019 0.174 1
1 543 . 11 1 1 A 58 58 GLY CA C 58 43.806 44.598 -0.792 1
1 544 . 11 1 1 A 58 58 GLY N N 58 109.549 110.436 -0.887 1
1 545 . 11 1 1 A 59 59 THR H H 59 8.301 8.552 -0.251 1
1 546 . 11 1 1 A 59 59 THR HA H 59 4.277 4.137 0.140 1
1 547 . 11 1 1 A 59 59 THR C C 59 172.318 174.602 -2.284 1
1 548 . 11 1 1 A 59 59 THR CA C 59 60.637 64.697 -4.060 1
1 549 . 11 1 1 A 59 59 THR CB C 59 67.412 68.945 -1.533 1
1 550 . 11 1 1 A 59 59 THR N N 59 111.031 113.603 -2.572 1
1 551 . 11 1 1 A 60 60 ASP H H 60 8.414 7.783 0.631 1
1 552 . 11 1 1 A 60 60 ASP HA H 60 4.679 4.929 -0.250 1
1 555 . 11 1 1 A 60 60 ASP C C 60 173.345 175.272 -1.927 1
1 556 . 11 1 1 A 60 60 ASP CA C 60 51.030 53.085 -2.055 1
1 557 . 11 1 1 A 60 60 ASP CB C 60 38.608 41.982 -3.374 1
1 558 . 11 1 1 A 60 60 ASP N N 60 120.007 120.020 -0.013 1
1 559 . 11 1 1 A 61 61 GLY H H 61 7.967 8.249 -0.282 1
1 560 . 11 1 1 A 61 61 GLY HA2 H 61 3.550 4.165 -0.615 1
1 561 . 11 1 1 A 61 61 GLY HA3 H 61 2.879 4.251 -1.372 1
1 562 . 11 1 1 A 61 61 GLY C C 61 175.339 171.617 3.722 1
1 563 . 11 1 1 A 61 61 GLY CA C 61 44.956 45.936 -0.980 1
1 564 . 11 1 1 A 61 61 GLY N N 61 108.692 109.660 -0.968 1
1 565 . 11 1 1 A 62 62 ASN H H 62 8.507 8.670 -0.163 1
1 566 . 11 1 1 A 62 62 ASN HA H 62 4.455 5.824 -1.369 1
1 571 . 11 1 1 A 62 62 ASN C C 62 172.217 173.697 -1.480 1
1 572 . 11 1 1 A 62 62 ASN CA C 62 48.627 51.875 -3.248 1
1 573 . 11 1 1 A 62 62 ASN CB C 62 34.339 41.878 -7.539 1
1 574 . 11 1 1 A 62 62 ASN N N 62 120.625 120.147 0.478 1
1 576 . 11 1 1 A 63 63 TYR H H 63 6.994 9.054 -2.060 1
1 577 . 11 1 1 A 63 63 TYR HA H 63 4.477 5.332 -0.855 1
1 580 . 11 1 1 A 63 63 TYR C C 63 172.042 174.438 -2.396 1
1 581 . 11 1 1 A 63 63 TYR CA C 63 56.210 56.102 0.108 1
1 582 . 11 1 1 A 63 63 TYR CB C 63 36.755 41.869 -5.114 1
1 583 . 11 1 1 A 63 63 TYR N N 63 116.333 123.080 -6.747 1
1 584 . 11 1 1 A 64 64 VAL H H 64 8.841 8.704 0.137 1
1 585 . 11 1 1 A 64 64 VAL HA H 64 3.689 3.695 -0.006 1
1 593 . 11 1 1 A 64 64 VAL C C 64 175.531 175.608 -0.077 1
1 594 . 11 1 1 A 64 64 VAL CA C 64 61.550 62.226 -0.676 1
1 595 . 11 1 1 A 64 64 VAL CB C 64 30.583 31.613 -1.030 1
1 598 . 11 1 1 A 64 64 VAL N N 64 123.889 126.663 -2.774 1
1 599 . 11 1 1 A 65 65 THR H H 65 8.850 9.378 -0.528 1
1 600 . 11 1 1 A 65 65 THR HA H 65 4.210 4.288 -0.078 1
1 605 . 11 1 1 A 65 65 THR C C 65 175.388 175.196 0.192 1
1 606 . 11 1 1 A 65 65 THR CA C 65 60.109 61.462 -1.353 1
1 607 . 11 1 1 A 65 65 THR CB C 65 66.710 70.090 -3.380 1
1 609 . 11 1 1 A 65 65 THR N N 65 119.739 118.674 1.065 1
1 610 . 11 1 1 A 66 66 GLY H H 66 6.907 7.325 -0.418 1
1 611 . 11 1 1 A 66 66 GLY HA2 H 66 3.769 4.264 -0.495 1
1 612 . 11 1 1 A 66 66 GLY HA3 H 66 3.583 4.283 -0.700 1
1 613 . 11 1 1 A 66 66 GLY C C 66 173.131 171.523 1.608 1
1 614 . 11 1 1 A 66 66 GLY CA C 66 42.950 44.824 -1.874 1
1 615 . 11 1 1 A 66 66 GLY N N 66 108.712 108.987 -0.275 1
1 616 . 11 1 1 A 67 67 LEU H H 67 7.723 8.750 -1.027 1
1 617 . 11 1 1 A 67 67 LEU HA H 67 4.628 5.123 -0.495 1
1 626 . 11 1 1 A 67 67 LEU C C 67 167.522 176.266 -8.744 1
1 627 . 11 1 1 A 67 67 LEU CA C 67 51.200 53.557 -2.357 1
1 628 . 11 1 1 A 67 67 LEU CB C 67 42.747 43.137 -0.390 1
1 631 . 11 1 1 A 67 67 LEU N N 67 118.448 125.525 -7.077 1
1 632 . 11 1 1 A 68 68 HIS H H 68 8.003 9.788 -1.785 1
1 633 . 11 1 1 A 68 68 HIS HA H 68 4.890 5.222 -0.332 1
1 637 . 11 1 1 A 68 68 HIS C C 68 174.161 174.320 -0.159 1
1 638 . 11 1 1 A 68 68 HIS CA C 68 52.180 53.920 -1.740 1
1 639 . 11 1 1 A 68 68 HIS CB C 68 31.877 33.006 -1.129 1
1 640 . 11 1 1 A 68 68 HIS N N 68 116.650 122.389 -5.739 1
1 641 . 11 1 1 A 69 69 THR H H 69 8.515 8.730 -0.215 1
1 642 . 11 1 1 A 69 69 THR HA H 69 4.808 4.287 0.521 1
1 647 . 11 1 1 A 69 69 THR C C 69 172.511 174.150 -1.639 1
1 648 . 11 1 1 A 69 69 THR CA C 69 60.130 62.860 -2.730 1
1 649 . 11 1 1 A 69 69 THR CB C 69 67.840 69.003 -1.163 1
1 651 . 11 1 1 A 69 69 THR N N 69 114.721 118.085 -3.364 1
1 652 . 11 1 1 A 70 70 CYS H H 70 7.731 9.654 -1.923 1
1 653 . 11 1 1 A 70 70 CYS HA H 70 4.786 4.873 -0.087 1
1 656 . 11 1 1 A 70 70 CYS C C 70 172.053 172.667 -0.614 1
1 657 . 11 1 1 A 70 70 CYS CA C 70 51.950 55.056 -3.106 1
1 658 . 11 1 1 A 70 70 CYS CB C 70 43.320 44.838 -1.518 1
1 659 . 11 1 1 A 70 70 CYS N N 70 117.575 126.186 -8.611 1
1 660 . 11 1 1 A 71 71 ASP H H 71 8.370 8.964 -0.594 1
1 661 . 11 1 1 A 71 71 ASP HA H 71 4.993 5.202 -0.209 1
1 664 . 11 1 1 A 71 71 ASP C C 71 169.692 173.873 -4.181 1
1 665 . 11 1 1 A 71 71 ASP CA C 71 48.815 51.486 -2.671 1
1 666 . 11 1 1 A 71 71 ASP CB C 71 40.118 43.680 -3.562 1
1 667 . 11 1 1 A 71 71 ASP N N 71 120.975 120.865 0.110 1
1 668 . 11 1 1 A 72 72 PRO HA H 72 4.145 4.411 -0.266 1
1 675 . 11 1 1 A 72 72 PRO CA C 72 61.360 63.359 -1.999 1
1 676 . 11 1 1 A 72 72 PRO CB C 72 30.141 31.671 -1.530 1
1 679 . 11 1 1 A 73 73 ALA H H 73 8.169 8.295 -0.126 1
1 680 . 11 1 1 A 73 73 ALA HA H 73 4.247 4.593 -0.346 1
1 684 . 11 1 1 A 73 73 ALA C C 73 174.353 176.305 -1.952 1
1 685 . 11 1 1 A 73 73 ALA CA C 73 50.370 51.907 -1.537 1
1 686 . 11 1 1 A 73 73 ALA CB C 73 17.230 20.342 -3.112 1
1 687 . 11 1 1 A 73 73 ALA N N 73 122.390 125.690 -3.300 1
1 688 . 11 1 1 A 74 74 THR H H 74 7.704 8.671 -0.967 1
1 689 . 11 1 1 A 74 74 THR C C 74 175.770 174.434 1.336 1
1 690 . 11 1 1 A 74 74 THR CA C 74 57.794 60.226 -2.432 1
1 691 . 11 1 1 A 74 74 THR CB C 74 67.994 69.098 -1.104 1
1 692 . 11 1 1 A 74 74 THR N N 74 114.834 115.837 -1.003 1
1 693 . 11 1 1 A 75 75 PRO HA H 75 4.386 4.522 -0.136 1
1 700 . 11 1 1 A 75 75 PRO CA C 75 61.440 65.205 -3.765 1
1 701 . 11 1 1 A 75 75 PRO CB C 75 30.088 31.686 -1.598 1
1 704 . 11 1 1 A 76 76 SER H H 76 8.209 8.386 -0.177 1
1 705 . 11 1 1 A 76 76 SER HA H 76 4.373 4.803 -0.430 1
1 708 . 11 1 1 A 76 76 SER C C 76 175.051 175.615 -0.564 1
1 709 . 11 1 1 A 76 76 SER CA C 76 56.360 59.268 -2.908 1
1 710 . 11 1 1 A 76 76 SER CB C 76 61.939 66.119 -4.180 1
1 711 . 11 1 1 A 76 76 SER N N 76 115.319 111.173 4.146 1
1 712 . 11 1 1 A 77 77 GLY H H 77 8.124 7.653 0.471 1
1 713 . 11 1 1 A 77 77 GLY HA2 H 77 4.093 4.079 0.014 1
1 714 . 11 1 1 A 77 77 GLY HA3 H 77 3.577 4.083 -0.506 1
1 715 . 11 1 1 A 77 77 GLY C C 77 173.087 174.629 -1.542 1
1 716 . 11 1 1 A 77 77 GLY CA C 77 43.555 45.973 -2.418 1
1 717 . 11 1 1 A 77 77 GLY N N 77 110.791 105.520 5.271 1
1 3 . 12 1 1 A 1 1 ALA HA H 5 4.015 4.488 -0.473 1
1 7 . 12 1 1 A 2 2 THR H H 6 7.608 8.563 -0.955 1
1 8 . 12 1 1 A 2 2 THR C C 2 174.815 173.989 0.826 1
1 9 . 12 1 1 A 2 2 THR CA C 2 56.801 61.197 -4.396 1
1 10 . 12 1 1 A 2 2 THR CB C 2 68.857 70.873 -2.016 1
1 11 . 12 1 1 A 2 2 THR N N 6 113.279 121.588 -8.309 1
1 12 . 12 1 1 A 5 5 PRO HA H 5 4.493 4.488 0.005 1
1 19 . 12 1 1 A 5 5 PRO CA C 5 61.290 62.747 -1.457 1
1 20 . 12 1 1 A 5 5 PRO CB C 5 30.190 32.092 -1.902 1
1 23 . 12 1 1 A 6 6 VAL H H 6 7.794 8.563 -0.769 1
1 24 . 12 1 1 A 6 6 VAL HA H 6 3.880 4.327 -0.447 1
1 32 . 12 1 1 A 6 6 VAL C C 6 175.059 176.580 -1.521 1
1 33 . 12 1 1 A 6 6 VAL CA C 6 59.560 63.650 -4.090 1
1 34 . 12 1 1 A 6 6 VAL CB C 6 30.680 31.685 -1.005 1
1 37 . 12 1 1 A 6 6 VAL N N 6 118.616 121.588 -2.972 1
1 38 . 12 1 1 A 7 7 ALA H H 7 8.029 8.526 -0.497 1
1 39 . 12 1 1 A 7 7 ALA HA H 7 4.167 4.154 0.013 1
1 43 . 12 1 1 A 7 7 ALA C C 7 173.395 177.949 -4.554 1
1 44 . 12 1 1 A 7 7 ALA CA C 7 50.780 52.064 -1.284 1
1 45 . 12 1 1 A 7 7 ALA CB C 7 18.292 19.054 -0.762 1
1 46 . 12 1 1 A 7 7 ALA N N 7 126.653 129.218 -2.565 1
1 47 . 12 1 1 A 8 8 GLU H H 8 8.587 7.665 0.922 1
1 48 . 12 1 1 A 8 8 GLU HA H 8 4.085 3.740 0.345 1
1 53 . 12 1 1 A 8 8 GLU C C 8 176.717 176.700 0.017 1
1 54 . 12 1 1 A 8 8 GLU CA C 8 56.520 58.687 -2.167 1
1 55 . 12 1 1 A 8 8 GLU CB C 8 27.393 27.127 0.266 1
1 57 . 12 1 1 A 8 8 GLU N N 8 118.049 111.805 6.244 1
1 58 . 12 1 1 A 9 9 CYS H H 9 7.348 8.392 -1.044 1
1 59 . 12 1 1 A 9 9 CYS HA H 9 4.422 4.553 -0.131 1
1 62 . 12 1 1 A 9 9 CYS C C 9 173.399 173.617 -0.218 1
1 63 . 12 1 1 A 9 9 CYS CA C 9 51.850 57.947 -6.097 1
1 64 . 12 1 1 A 9 9 CYS CB C 9 38.617 42.570 -3.953 1
1 65 . 12 1 1 A 9 9 CYS N N 9 109.798 117.237 -7.439 1
1 66 . 12 1 1 A 10 10 VAL H H 10 7.682 7.361 0.321 1
1 67 . 12 1 1 A 10 10 VAL HA H 10 4.483 4.759 -0.276 1
1 75 . 12 1 1 A 10 10 VAL C C 10 172.261 174.728 -2.467 1
1 76 . 12 1 1 A 10 10 VAL CA C 10 60.360 60.318 0.042 1
1 77 . 12 1 1 A 10 10 VAL CB C 10 29.445 33.669 -4.224 1
1 80 . 12 1 1 A 10 10 VAL N N 10 125.088 118.975 6.113 1
1 81 . 12 1 1 A 11 11 GLU H H 11 8.322 8.717 -0.395 1
1 82 . 12 1 1 A 11 11 GLU HA H 11 4.644 4.552 0.092 1
1 87 . 12 1 1 A 11 11 GLU C C 11 172.004 174.491 -2.487 1
1 88 . 12 1 1 A 11 11 GLU CA C 11 51.852 54.638 -2.786 1
1 89 . 12 1 1 A 11 11 GLU CB C 11 31.925 33.287 -1.362 1
1 91 . 12 1 1 A 11 11 GLU N N 11 124.099 126.089 -1.990 1
1 92 . 12 1 1 A 12 12 TYR H H 12 7.843 8.360 -0.517 1
1 93 . 12 1 1 A 12 12 TYR HA H 12 5.697 6.307 -0.610 1
1 100 . 12 1 1 A 12 12 TYR C C 12 172.281 174.031 -1.750 1
1 101 . 12 1 1 A 12 12 TYR CA C 12 53.160 55.778 -2.618 1
1 102 . 12 1 1 A 12 12 TYR CB C 12 40.610 41.315 -0.705 1
1 103 . 12 1 1 A 12 12 TYR N N 12 115.283 125.241 -9.958 1
1 104 . 12 1 1 A 13 13 PHE H H 13 9.057 8.840 0.217 1
1 105 . 12 1 1 A 13 13 PHE HA H 13 4.750 5.236 -0.486 1
1 106 . 12 1 1 A 13 13 PHE C C 13 170.766 173.668 -2.902 1
1 107 . 12 1 1 A 13 13 PHE CA C 13 54.815 57.105 -2.290 1
1 108 . 12 1 1 A 13 13 PHE CB C 13 39.947 43.318 -3.371 1
1 109 . 12 1 1 A 13 13 PHE N N 13 119.347 120.521 -1.174 1
1 110 . 12 1 1 A 14 14 GLN HA H 14 5.302 5.116 0.186 1
1 113 . 12 1 1 A 14 14 GLN CA C 14 53.700 54.504 -0.804 1
1 114 . 12 1 1 A 14 14 GLN CB C 14 30.685 30.279 0.406 1
1 115 . 12 1 1 A 15 15 SER H H 15 8.657 9.005 -0.348 1
1 116 . 12 1 1 A 15 15 SER HA H 15 4.715 4.824 -0.109 1
1 117 . 12 1 1 A 15 15 SER C C 15 172.296 173.772 -1.476 1
1 118 . 12 1 1 A 15 15 SER CA C 15 54.708 56.816 -2.108 1
1 119 . 12 1 1 A 15 15 SER CB C 15 64.456 64.067 0.389 1
1 120 . 12 1 1 A 15 15 SER N N 15 119.667 118.810 0.857 1
1 121 . 12 1 1 A 17 17 ARG HA H 17 3.413 3.859 -0.446 1
1 124 . 12 1 1 A 17 17 ARG CA C 17 55.648 57.344 -1.696 1
1 125 . 12 1 1 A 17 17 ARG CB C 17 29.496 29.602 -0.106 1
1 126 . 12 1 1 A 18 18 TYR H H 18 6.870 7.812 -0.942 1
1 127 . 12 1 1 A 18 18 TYR HA H 18 5.233 4.900 0.333 1
1 134 . 12 1 1 A 18 18 TYR C C 18 174.107 174.216 -0.109 1
1 135 . 12 1 1 A 18 18 TYR CA C 18 54.231 55.905 -1.674 1
1 136 . 12 1 1 A 18 18 TYR CB C 18 40.725 40.093 0.632 1
1 137 . 12 1 1 A 18 18 TYR N N 18 114.525 118.996 -4.471 1
1 138 . 12 1 1 A 19 19 THR H H 19 8.684 9.262 -0.578 1
1 139 . 12 1 1 A 19 19 THR HA H 19 5.061 5.297 -0.236 1
1 144 . 12 1 1 A 19 19 THR C C 19 173.054 173.481 -0.427 1
1 145 . 12 1 1 A 19 19 THR CA C 19 60.704 62.626 -1.922 1
1 146 . 12 1 1 A 19 19 THR CB C 19 67.997 68.582 -0.585 1
1 148 . 12 1 1 A 19 19 THR N N 19 119.368 123.731 -4.363 1
1 149 . 12 1 1 A 20 20 ASP H H 20 8.975 8.811 0.164 1
1 150 . 12 1 1 A 20 20 ASP HA H 20 5.690 4.811 0.879 1
1 153 . 12 1 1 A 20 20 ASP C C 20 171.832 174.928 -3.096 1
1 154 . 12 1 1 A 20 20 ASP CA C 20 52.039 52.754 -0.715 1
1 155 . 12 1 1 A 20 20 ASP CB C 20 42.292 40.651 1.641 1
1 156 . 12 1 1 A 20 20 ASP N N 20 128.307 126.968 1.339 1
1 157 . 12 1 1 A 21 21 VAL H H 21 9.496 8.310 1.186 1
1 158 . 12 1 1 A 21 21 VAL HA H 21 4.775 4.829 -0.054 1
1 166 . 12 1 1 A 21 21 VAL C C 21 173.611 174.530 -0.919 1
1 167 . 12 1 1 A 21 21 VAL CA C 21 59.478 60.764 -1.286 1
1 168 . 12 1 1 A 21 21 VAL CB C 21 32.243 33.080 -0.837 1
1 171 . 12 1 1 A 21 21 VAL N N 21 123.356 124.799 -1.443 1
1 172 . 12 1 1 A 22 22 HIS H H 22 8.973 8.576 0.397 1
1 173 . 12 1 1 A 22 22 HIS HA H 22 4.622 5.875 -1.253 1
1 177 . 12 1 1 A 22 22 HIS C C 22 171.626 173.748 -2.122 1
1 178 . 12 1 1 A 22 22 HIS CA C 22 49.980 54.601 -4.621 1
1 179 . 12 1 1 A 22 22 HIS CB C 22 28.390 31.445 -3.055 1
1 180 . 12 1 1 A 22 22 HIS N N 22 124.534 126.809 -2.275 1
1 181 . 12 1 1 A 23 23 ASN H H 23 8.317 9.192 -0.875 1
1 182 . 12 1 1 A 23 23 ASN HA H 23 4.517 4.808 -0.291 1
1 185 . 12 1 1 A 23 23 ASN C C 23 171.836 176.326 -4.490 1
1 186 . 12 1 1 A 23 23 ASN CA C 23 49.380 53.526 -4.146 1
1 187 . 12 1 1 A 23 23 ASN CB C 23 36.018 39.949 -3.931 1
1 188 . 12 1 1 A 23 23 ASN N N 23 123.095 124.271 -1.176 1
1 189 . 12 1 1 A 24 24 GLY H H 24 7.602 8.802 -1.200 1
1 190 . 12 1 1 A 24 24 GLY HA2 H 24 4.051 4.171 -0.120 1
1 191 . 12 1 1 A 24 24 GLY HA3 H 24 3.381 4.172 -0.791 1
1 192 . 12 1 1 A 24 24 GLY C C 24 171.684 174.232 -2.548 1
1 193 . 12 1 1 A 24 24 GLY CA C 24 42.936 45.610 -2.674 1
1 194 . 12 1 1 A 24 24 GLY N N 24 113.217 110.681 2.536 1
1 195 . 12 1 1 A 25 25 CYS H H 25 8.145 7.878 0.267 1
1 196 . 12 1 1 A 25 25 CYS HA H 25 4.544 4.685 -0.141 1
1 199 . 12 1 1 A 25 25 CYS C C 25 172.305 173.831 -1.526 1
1 200 . 12 1 1 A 25 25 CYS CA C 25 50.790 55.883 -5.093 1
1 201 . 12 1 1 A 25 25 CYS CB C 25 39.528 43.790 -4.262 1
1 202 . 12 1 1 A 25 25 CYS N N 25 119.843 118.552 1.291 1
1 203 . 12 1 1 A 26 26 ALA H H 26 8.111 8.749 -0.638 1
1 204 . 12 1 1 A 26 26 ALA HA H 26 4.084 4.267 -0.183 1
1 208 . 12 1 1 A 26 26 ALA C C 26 172.481 176.795 -4.314 1
1 209 . 12 1 1 A 26 26 ALA CA C 26 50.950 53.602 -2.652 1
1 210 . 12 1 1 A 26 26 ALA CB C 26 17.251 19.604 -2.353 1
1 211 . 12 1 1 A 26 26 ALA N N 26 119.852 124.547 -4.695 1
1 212 . 12 1 1 A 27 27 ASP H H 27 6.938 7.723 -0.785 1
1 213 . 12 1 1 A 27 27 ASP HA H 27 4.787 5.260 -0.473 1
1 216 . 12 1 1 A 27 27 ASP C C 27 174.263 174.947 -0.684 1
1 217 . 12 1 1 A 27 27 ASP CA C 27 49.550 52.266 -2.716 1
1 218 . 12 1 1 A 27 27 ASP CB C 27 42.250 44.326 -2.076 1
1 219 . 12 1 1 A 27 27 ASP N N 27 113.761 116.868 -3.107 1
1 220 . 12 1 1 A 28 28 ALA H H 28 8.454 8.377 0.077 1
1 221 . 12 1 1 A 28 28 ALA HA H 28 3.986 4.800 -0.814 1
1 225 . 12 1 1 A 28 28 ALA C C 28 173.188 177.767 -4.579 1
1 226 . 12 1 1 A 28 28 ALA CA C 28 50.550 52.389 -1.839 1
1 227 . 12 1 1 A 28 28 ALA CB C 28 16.820 19.184 -2.364 1
1 228 . 12 1 1 A 28 28 ALA N N 28 121.635 123.220 -1.585 1
1 229 . 12 1 1 A 29 29 VAL H H 29 7.742 8.459 -0.717 1
1 230 . 12 1 1 A 29 29 VAL HA H 29 4.553 4.843 -0.290 1
1 238 . 12 1 1 A 29 29 VAL C C 29 174.826 174.169 0.657 1
1 239 . 12 1 1 A 29 29 VAL CA C 29 57.140 59.182 -2.042 1
1 240 . 12 1 1 A 29 29 VAL CB C 29 33.000 35.275 -2.275 1
1 243 . 12 1 1 A 29 29 VAL N N 29 113.732 117.899 -4.167 1
1 244 . 12 1 1 A 30 30 SER H H 30 8.101 8.819 -0.718 1
1 245 . 12 1 1 A 30 30 SER HA H 30 5.338 4.949 0.389 1
1 248 . 12 1 1 A 30 30 SER C C 30 171.613 174.295 -2.682 1
1 249 . 12 1 1 A 30 30 SER CA C 30 54.310 58.272 -3.962 1
1 250 . 12 1 1 A 30 30 SER CB C 30 62.237 63.937 -1.700 1
1 251 . 12 1 1 A 30 30 SER N N 30 118.729 120.744 -2.015 1
1 252 . 12 1 1 A 31 31 VAL H H 31 8.780 9.615 -0.835 1
1 253 . 12 1 1 A 31 31 VAL HA H 31 5.146 4.973 0.173 1
1 261 . 12 1 1 A 31 31 VAL C C 31 172.831 173.949 -1.118 1
1 262 . 12 1 1 A 31 31 VAL CA C 31 56.940 59.264 -2.324 1
1 263 . 12 1 1 A 31 31 VAL CB C 31 35.030 34.953 0.077 1
1 266 . 12 1 1 A 31 31 VAL N N 31 119.018 120.259 -1.241 1
1 267 . 12 1 1 A 32 32 THR H H 32 8.366 9.431 -1.065 1
1 268 . 12 1 1 A 32 32 THR HA H 32 4.498 4.793 -0.295 1
1 273 . 12 1 1 A 32 32 THR C C 32 171.480 172.404 -0.924 1
1 274 . 12 1 1 A 32 32 THR CA C 32 57.100 59.628 -2.528 1
1 275 . 12 1 1 A 32 32 THR CB C 32 67.767 71.754 -3.987 1
1 277 . 12 1 1 A 32 32 THR N N 32 115.885 117.930 -2.045 1
1 278 . 12 1 1 A 33 33 VAL H H 33 6.720 8.401 -1.681 1
1 279 . 12 1 1 A 33 33 VAL HA H 33 3.950 4.887 -0.937 1
1 287 . 12 1 1 A 33 33 VAL C C 33 169.808 173.020 -3.212 1
1 288 . 12 1 1 A 33 33 VAL CA C 33 57.990 58.684 -0.694 1
1 289 . 12 1 1 A 33 33 VAL CB C 33 32.331 34.852 -2.521 1
1 292 . 12 1 1 A 33 33 VAL N N 33 119.716 120.449 -0.733 1
1 293 . 12 1 1 A 34 34 GLU H H 34 7.670 8.647 -0.977 1
1 294 . 12 1 1 A 34 34 GLU HA H 34 4.187 4.569 -0.382 1
1 297 . 12 1 1 A 34 34 GLU C C 34 171.032 174.790 -3.758 1
1 298 . 12 1 1 A 34 34 GLU CA C 34 51.930 53.975 -2.045 1
1 299 . 12 1 1 A 34 34 GLU CB C 34 29.430 32.184 -2.754 1
1 300 . 12 1 1 A 34 34 GLU N N 34 123.182 123.056 0.126 1
1 301 . 12 1 1 A 35 35 TYR H H 35 8.500 8.827 -0.327 1
1 302 . 12 1 1 A 35 35 TYR HA H 35 4.646 5.087 -0.441 1
1 309 . 12 1 1 A 35 35 TYR C C 35 172.817 177.209 -4.392 1
1 310 . 12 1 1 A 35 35 TYR CA C 35 55.880 57.908 -2.028 1
1 311 . 12 1 1 A 35 35 TYR CB C 35 38.300 40.359 -2.059 1
1 312 . 12 1 1 A 35 35 TYR N N 35 122.953 125.659 -2.706 1
1 313 . 12 1 1 A 36 36 THR H H 36 8.295 9.266 -0.971 1
1 314 . 12 1 1 A 36 36 THR HA H 36 3.731 3.932 -0.201 1
1 319 . 12 1 1 A 36 36 THR C C 36 175.873 175.428 0.445 1
1 320 . 12 1 1 A 36 36 THR CA C 36 65.169 66.364 -1.195 1
1 321 . 12 1 1 A 36 36 THR CB C 36 67.700 68.604 -0.904 1
1 323 . 12 1 1 A 36 36 THR N N 36 119.739 117.619 2.120 1
1 324 . 12 1 1 A 37 37 HIS H H 37 8.755 7.725 1.030 1
1 325 . 12 1 1 A 37 37 HIS HA H 37 4.807 4.641 0.166 1
1 329 . 12 1 1 A 37 37 HIS C C 37 173.381 175.982 -2.601 1
1 330 . 12 1 1 A 37 37 HIS CA C 37 53.412 57.593 -4.181 1
1 331 . 12 1 1 A 37 37 HIS CB C 37 27.137 30.984 -3.847 1
1 332 . 12 1 1 A 37 37 HIS N N 37 115.916 116.066 -0.150 1
1 333 . 12 1 1 A 38 38 GLY H H 38 7.856 7.886 -0.030 1
1 334 . 12 1 1 A 38 38 GLY HA2 H 38 4.091 4.120 -0.029 1
1 335 . 12 1 1 A 38 38 GLY HA3 H 38 3.795 4.165 -0.370 1
1 336 . 12 1 1 A 38 38 GLY C C 38 174.479 174.337 0.142 1
1 337 . 12 1 1 A 38 38 GLY CA C 38 43.935 45.467 -1.532 1
1 338 . 12 1 1 A 38 38 GLY N N 38 106.387 103.963 2.424 1
1 339 . 12 1 1 A 39 39 GLN H H 39 8.096 7.536 0.560 1
1 340 . 12 1 1 A 39 39 GLN HA H 39 4.239 4.340 -0.101 1
1 345 . 12 1 1 A 39 39 GLN C C 39 171.748 175.595 -3.847 1
1 346 . 12 1 1 A 39 39 GLN CA C 39 55.050 55.767 -0.717 1
1 347 . 12 1 1 A 39 39 GLN CB C 39 26.580 29.283 -2.703 1
1 349 . 12 1 1 A 39 39 GLN N N 39 119.846 118.445 1.401 1
1 350 . 12 1 1 A 40 40 TRP H H 40 8.286 8.754 -0.468 1
1 351 . 12 1 1 A 40 40 TRP HA H 40 4.961 4.791 0.170 1
1 358 . 12 1 1 A 40 40 TRP C C 40 172.966 176.159 -3.193 1
1 359 . 12 1 1 A 40 40 TRP CA C 40 55.210 56.605 -1.395 1
1 360 . 12 1 1 A 40 40 TRP CB C 40 28.161 29.163 -1.002 1
1 361 . 12 1 1 A 40 40 TRP N N 40 121.182 124.968 -3.786 1
1 363 . 12 1 1 A 41 41 ALA H H 41 7.947 7.955 -0.008 1
1 364 . 12 1 1 A 41 41 ALA HA H 41 4.641 4.630 0.011 1
1 368 . 12 1 1 A 41 41 ALA C C 41 174.070 175.963 -1.893 1
1 369 . 12 1 1 A 41 41 ALA CA C 41 47.995 51.082 -3.087 1
1 370 . 12 1 1 A 41 41 ALA CB C 41 18.627 20.285 -1.658 1
1 371 . 12 1 1 A 41 41 ALA N N 41 126.752 130.218 -3.466 1
1 372 . 12 1 1 A 42 42 PRO HA H 42 4.240 4.302 -0.062 1
1 377 . 12 1 1 A 42 42 PRO CA C 42 60.853 62.389 -1.536 1
1 378 . 12 1 1 A 42 42 PRO CB C 42 30.203 28.923 1.280 1
1 379 . 12 1 1 A 43 43 CYS H H 43 8.229 7.791 0.438 1
1 380 . 12 1 1 A 43 43 CYS HA H 43 4.643 5.071 -0.428 1
1 383 . 12 1 1 A 43 43 CYS C C 43 173.099 171.839 1.260 1
1 384 . 12 1 1 A 43 43 CYS CA C 43 53.574 56.619 -3.045 1
1 385 . 12 1 1 A 43 43 CYS CB C 43 39.464 45.635 -6.171 1
1 386 . 12 1 1 A 43 43 CYS N N 43 119.646 120.700 -1.054 1
1 387 . 12 1 1 A 44 44 ARG H H 44 8.931 9.388 -0.457 1
1 388 . 12 1 1 A 44 44 ARG HA H 44 4.653 4.737 -0.084 1
1 395 . 12 1 1 A 44 44 ARG C C 44 172.821 174.323 -1.502 1
1 396 . 12 1 1 A 44 44 ARG CA C 44 51.850 55.505 -3.655 1
1 397 . 12 1 1 A 44 44 ARG CB C 44 30.892 34.076 -3.184 1
1 400 . 12 1 1 A 44 44 ARG N N 44 128.546 125.592 2.954 1
1 401 . 12 1 1 A 45 45 VAL H H 45 8.242 8.563 -0.321 1
1 402 . 12 1 1 A 45 45 VAL HA H 45 4.625 4.518 0.107 1
1 410 . 12 1 1 A 45 45 VAL C C 45 172.339 174.963 -2.624 1
1 411 . 12 1 1 A 45 45 VAL CA C 45 59.800 62.285 -2.485 1
1 412 . 12 1 1 A 45 45 VAL CB C 45 29.914 33.269 -3.355 1
1 415 . 12 1 1 A 45 45 VAL N N 45 123.347 124.889 -1.542 1
1 416 . 12 1 1 A 46 46 ILE H H 46 9.161 9.386 -0.225 1
1 417 . 12 1 1 A 46 46 ILE HA H 46 4.241 4.816 -0.575 1
1 427 . 12 1 1 A 46 46 ILE C C 46 174.656 175.138 -0.482 1
1 428 . 12 1 1 A 46 46 ILE CA C 46 58.660 59.597 -0.937 1
1 429 . 12 1 1 A 46 46 ILE CB C 46 37.551 40.054 -2.503 1
1 432 . 12 1 1 A 46 46 ILE N N 46 128.086 128.229 -0.143 1
1 433 . 12 1 1 A 47 47 GLU H H 47 9.214 8.609 0.605 1
1 434 . 12 1 1 A 47 47 GLU HA H 47 4.182 4.783 -0.601 1
1 439 . 12 1 1 A 47 47 GLU C C 47 174.413 174.693 -0.280 1
1 440 . 12 1 1 A 47 47 GLU CA C 47 53.820 53.984 -0.164 1
1 441 . 12 1 1 A 47 47 GLU CB C 47 25.600 29.426 -3.826 1
1 443 . 12 1 1 A 47 47 GLU N N 47 129.614 125.953 3.661 1
1 444 . 12 1 1 A 48 48 PRO HA H 48 3.872 4.509 -0.637 1
1 451 . 12 1 1 A 48 48 PRO CA C 48 62.770 63.840 -1.070 1
1 452 . 12 1 1 A 48 48 PRO CB C 48 29.241 31.356 -2.115 1
1 455 . 12 1 1 A 49 49 GLY H H 49 8.330 8.617 -0.287 1
1 456 . 12 1 1 A 49 49 GLY HA2 H 49 4.140 3.973 0.167 1
1 457 . 12 1 1 A 49 49 GLY HA3 H 49 3.702 4.014 -0.312 1
1 458 . 12 1 1 A 49 49 GLY C C 49 176.101 174.430 1.671 1
1 459 . 12 1 1 A 49 49 GLY CA C 49 43.930 45.376 -1.446 1
1 460 . 12 1 1 A 49 49 GLY N N 49 115.617 113.081 2.536 1
1 461 . 12 1 1 A 50 50 GLY H H 50 8.496 8.747 -0.251 1
1 462 . 12 1 1 A 50 50 GLY HA2 H 50 4.374 4.101 0.273 1
1 463 . 12 1 1 A 50 50 GLY HA3 H 50 3.614 4.127 -0.513 1
1 464 . 12 1 1 A 50 50 GLY C C 50 172.758 173.665 -0.907 1
1 465 . 12 1 1 A 50 50 GLY CA C 50 42.550 44.157 -1.607 1
1 466 . 12 1 1 A 50 50 GLY N N 50 108.129 108.246 -0.117 1
1 467 . 12 1 1 A 51 51 TRP H H 51 8.184 8.709 -0.525 1
1 468 . 12 1 1 A 51 51 TRP HA H 51 5.778 6.421 -0.643 1
1 475 . 12 1 1 A 51 51 TRP C C 51 170.134 175.533 -5.399 1
1 476 . 12 1 1 A 51 51 TRP CA C 51 53.820 55.739 -1.919 1
1 477 . 12 1 1 A 51 51 TRP CB C 51 30.930 34.255 -3.325 1
1 478 . 12 1 1 A 51 51 TRP N N 51 117.328 120.137 -2.809 1
1 480 . 12 1 1 A 52 52 ALA H H 52 9.354 8.929 0.425 1
1 481 . 12 1 1 A 52 52 ALA HA H 52 4.654 4.876 -0.222 1
1 485 . 12 1 1 A 52 52 ALA C C 52 174.350 175.476 -1.126 1
1 486 . 12 1 1 A 52 52 ALA CA C 52 49.250 50.939 -1.689 1
1 487 . 12 1 1 A 52 52 ALA CB C 52 20.971 21.175 -0.204 1
1 488 . 12 1 1 A 52 52 ALA N N 52 122.785 123.159 -0.374 1
1 489 . 12 1 1 A 53 53 THR H H 53 8.059 8.457 -0.398 1
1 490 . 12 1 1 A 53 53 THR HA H 53 5.251 4.448 0.803 1
1 495 . 12 1 1 A 53 53 THR C C 53 173.703 173.775 -0.072 1
1 496 . 12 1 1 A 53 53 THR CA C 53 60.321 62.450 -2.129 1
1 497 . 12 1 1 A 53 53 THR CB C 53 69.150 69.029 0.121 1
1 499 . 12 1 1 A 53 53 THR N N 53 115.813 118.193 -2.380 1
1 500 . 12 1 1 A 54 54 PHE H H 54 9.370 8.727 0.643 1
1 501 . 12 1 1 A 54 54 PHE HA H 54 4.827 4.927 -0.100 1
1 508 . 12 1 1 A 54 54 PHE C C 54 171.593 174.950 -3.357 1
1 509 . 12 1 1 A 54 54 PHE CA C 54 53.813 56.561 -2.748 1
1 510 . 12 1 1 A 54 54 PHE CB C 54 40.556 42.984 -2.428 1
1 511 . 12 1 1 A 54 54 PHE N N 54 125.684 123.656 2.028 1
1 512 . 12 1 1 A 55 55 ALA H H 55 8.706 8.647 0.059 1
1 513 . 12 1 1 A 55 55 ALA HA H 55 4.362 4.166 0.196 1
1 517 . 12 1 1 A 55 55 ALA C C 55 173.468 178.003 -4.535 1
1 518 . 12 1 1 A 55 55 ALA CA C 55 52.010 52.454 -0.444 1
1 519 . 12 1 1 A 55 55 ALA CB C 55 16.740 19.310 -2.570 1
1 520 . 12 1 1 A 55 55 ALA N N 55 124.175 126.094 -1.919 1
1 521 . 12 1 1 A 56 56 GLY H H 56 7.517 8.726 -1.209 1
1 522 . 12 1 1 A 56 56 GLY HA2 H 56 4.252 4.120 0.132 1
1 523 . 12 1 1 A 56 56 GLY HA3 H 56 3.339 4.237 -0.898 1
1 524 . 12 1 1 A 56 56 GLY C C 56 178.583 172.782 5.801 1
1 525 . 12 1 1 A 56 56 GLY CA C 56 42.282 44.485 -2.203 1
1 526 . 12 1 1 A 56 56 GLY N N 56 110.256 110.723 -0.467 1
1 527 . 12 1 1 A 57 57 TYR H H 57 7.154 8.763 -1.609 1
1 528 . 12 1 1 A 57 57 TYR HA H 57 4.516 5.234 -0.718 1
1 535 . 12 1 1 A 57 57 TYR C C 57 170.587 175.300 -4.713 1
1 536 . 12 1 1 A 57 57 TYR CA C 57 55.130 57.714 -2.584 1
1 537 . 12 1 1 A 57 57 TYR CB C 57 36.127 39.023 -2.896 1
1 538 . 12 1 1 A 57 57 TYR N N 57 113.618 117.731 -4.113 1
1 539 . 12 1 1 A 58 58 GLY H H 58 8.498 8.537 -0.039 1
1 540 . 12 1 1 A 58 58 GLY HA2 H 58 3.946 4.059 -0.113 1
1 541 . 12 1 1 A 58 58 GLY HA3 H 58 3.420 4.186 -0.766 1
1 542 . 12 1 1 A 58 58 GLY C C 58 175.193 172.094 3.099 1
1 543 . 12 1 1 A 58 58 GLY CA C 58 43.806 45.110 -1.304 1
1 544 . 12 1 1 A 58 58 GLY N N 58 109.549 107.866 1.683 1
1 545 . 12 1 1 A 59 59 THR H H 59 8.301 8.430 -0.129 1
1 546 . 12 1 1 A 59 59 THR HA H 59 4.277 3.856 0.421 1
1 547 . 12 1 1 A 59 59 THR C C 59 172.318 174.873 -2.555 1
1 548 . 12 1 1 A 59 59 THR CA C 59 60.637 64.482 -3.845 1
1 549 . 12 1 1 A 59 59 THR CB C 59 67.412 68.452 -1.040 1
1 550 . 12 1 1 A 59 59 THR N N 59 111.031 117.910 -6.879 1
1 551 . 12 1 1 A 60 60 ASP H H 60 8.414 9.105 -0.691 1
1 552 . 12 1 1 A 60 60 ASP HA H 60 4.679 4.154 0.525 1
1 555 . 12 1 1 A 60 60 ASP C C 60 173.345 175.978 -2.633 1
1 556 . 12 1 1 A 60 60 ASP CA C 60 51.030 55.514 -4.484 1
1 557 . 12 1 1 A 60 60 ASP CB C 60 38.608 39.391 -0.783 1
1 558 . 12 1 1 A 60 60 ASP N N 60 120.007 124.345 -4.338 1
1 559 . 12 1 1 A 61 61 GLY H H 61 7.967 8.314 -0.347 1
1 560 . 12 1 1 A 61 61 GLY HA2 H 61 3.550 3.834 -0.284 1
1 561 . 12 1 1 A 61 61 GLY HA3 H 61 2.879 3.904 -1.025 1
1 562 . 12 1 1 A 61 61 GLY C C 61 175.339 174.742 0.597 1
1 563 . 12 1 1 A 61 61 GLY CA C 61 44.956 45.313 -0.357 1
1 564 . 12 1 1 A 61 61 GLY N N 61 108.692 106.001 2.691 1
1 565 . 12 1 1 A 62 62 ASN H H 62 8.507 8.029 0.478 1
1 566 . 12 1 1 A 62 62 ASN HA H 62 4.455 4.516 -0.061 1
1 571 . 12 1 1 A 62 62 ASN C C 62 172.217 174.118 -1.901 1
1 572 . 12 1 1 A 62 62 ASN CA C 62 48.627 55.450 -6.823 1
1 573 . 12 1 1 A 62 62 ASN CB C 62 34.339 37.274 -2.935 1
1 574 . 12 1 1 A 62 62 ASN N N 62 120.625 114.971 5.654 1
1 576 . 12 1 1 A 63 63 TYR H H 63 6.994 8.239 -1.245 1
1 577 . 12 1 1 A 63 63 TYR HA H 63 4.477 4.952 -0.475 1
1 580 . 12 1 1 A 63 63 TYR C C 63 172.042 174.016 -1.974 1
1 581 . 12 1 1 A 63 63 TYR CA C 63 56.210 58.517 -2.307 1
1 582 . 12 1 1 A 63 63 TYR CB C 63 36.755 41.593 -4.838 1
1 583 . 12 1 1 A 63 63 TYR N N 63 116.333 117.158 -0.825 1
1 584 . 12 1 1 A 64 64 VAL H H 64 8.841 8.926 -0.085 1
1 585 . 12 1 1 A 64 64 VAL HA H 64 3.689 3.661 0.028 1
1 593 . 12 1 1 A 64 64 VAL C C 64 175.531 175.585 -0.054 1
1 594 . 12 1 1 A 64 64 VAL CA C 64 61.550 63.083 -1.533 1
1 595 . 12 1 1 A 64 64 VAL CB C 64 30.583 31.668 -1.085 1
1 598 . 12 1 1 A 64 64 VAL N N 64 123.889 127.137 -3.248 1
1 599 . 12 1 1 A 65 65 THR H H 65 8.850 8.983 -0.133 1
1 600 . 12 1 1 A 65 65 THR HA H 65 4.210 4.188 0.022 1
1 605 . 12 1 1 A 65 65 THR C C 65 175.388 175.141 0.247 1
1 606 . 12 1 1 A 65 65 THR CA C 65 60.109 61.420 -1.311 1
1 607 . 12 1 1 A 65 65 THR CB C 65 66.710 70.016 -3.306 1
1 609 . 12 1 1 A 65 65 THR N N 65 119.739 119.055 0.684 1
1 610 . 12 1 1 A 66 66 GLY H H 66 6.907 7.309 -0.402 1
1 611 . 12 1 1 A 66 66 GLY HA2 H 66 3.769 4.251 -0.482 1
1 612 . 12 1 1 A 66 66 GLY HA3 H 66 3.583 4.272 -0.689 1
1 613 . 12 1 1 A 66 66 GLY C C 66 173.131 171.657 1.474 1
1 614 . 12 1 1 A 66 66 GLY CA C 66 42.950 44.752 -1.802 1
1 615 . 12 1 1 A 66 66 GLY N N 66 108.712 108.946 -0.234 1
1 616 . 12 1 1 A 67 67 LEU H H 67 7.723 8.895 -1.172 1
1 617 . 12 1 1 A 67 67 LEU HA H 67 4.628 4.933 -0.305 1
1 626 . 12 1 1 A 67 67 LEU C C 67 167.522 176.351 -8.829 1
1 627 . 12 1 1 A 67 67 LEU CA C 67 51.200 54.768 -3.568 1
1 628 . 12 1 1 A 67 67 LEU CB C 67 42.747 42.892 -0.145 1
1 631 . 12 1 1 A 67 67 LEU N N 67 118.448 126.227 -7.779 1
1 632 . 12 1 1 A 68 68 HIS H H 68 8.003 9.803 -1.800 1
1 633 . 12 1 1 A 68 68 HIS HA H 68 4.890 5.133 -0.243 1
1 637 . 12 1 1 A 68 68 HIS C C 68 174.161 173.974 0.187 1
1 638 . 12 1 1 A 68 68 HIS CA C 68 52.180 53.814 -1.634 1
1 639 . 12 1 1 A 68 68 HIS CB C 68 31.877 32.844 -0.967 1
1 640 . 12 1 1 A 68 68 HIS N N 68 116.650 121.976 -5.326 1
1 641 . 12 1 1 A 69 69 THR H H 69 8.515 8.684 -0.169 1
1 642 . 12 1 1 A 69 69 THR HA H 69 4.808 4.389 0.419 1
1 647 . 12 1 1 A 69 69 THR C C 69 172.511 173.881 -1.370 1
1 648 . 12 1 1 A 69 69 THR CA C 69 60.130 62.879 -2.749 1
1 649 . 12 1 1 A 69 69 THR CB C 69 67.840 69.123 -1.283 1
1 651 . 12 1 1 A 69 69 THR N N 69 114.721 117.740 -3.019 1
1 652 . 12 1 1 A 70 70 CYS H H 70 7.731 9.594 -1.863 1
1 653 . 12 1 1 A 70 70 CYS HA H 70 4.786 5.071 -0.285 1
1 656 . 12 1 1 A 70 70 CYS C C 70 172.053 172.826 -0.773 1
1 657 . 12 1 1 A 70 70 CYS CA C 70 51.950 55.004 -3.054 1
1 658 . 12 1 1 A 70 70 CYS CB C 70 43.320 44.572 -1.252 1
1 659 . 12 1 1 A 70 70 CYS N N 70 117.575 126.039 -8.464 1
1 660 . 12 1 1 A 71 71 ASP H H 71 8.370 8.581 -0.211 1
1 661 . 12 1 1 A 71 71 ASP HA H 71 4.993 5.213 -0.220 1
1 664 . 12 1 1 A 71 71 ASP C C 71 169.692 175.014 -5.322 1
1 665 . 12 1 1 A 71 71 ASP CA C 71 48.815 51.566 -2.751 1
1 666 . 12 1 1 A 71 71 ASP CB C 71 40.118 42.036 -1.918 1
1 667 . 12 1 1 A 71 71 ASP N N 71 120.975 122.282 -1.307 1
1 668 . 12 1 1 A 72 72 PRO HA H 72 4.145 4.412 -0.267 1
1 675 . 12 1 1 A 72 72 PRO CA C 72 61.360 62.761 -1.401 1
1 676 . 12 1 1 A 72 72 PRO CB C 72 30.141 30.641 -0.500 1
1 679 . 12 1 1 A 73 73 ALA H H 73 8.169 8.241 -0.072 1
1 680 . 12 1 1 A 73 73 ALA HA H 73 4.247 4.612 -0.365 1
1 684 . 12 1 1 A 73 73 ALA C C 73 174.353 175.804 -1.451 1
1 685 . 12 1 1 A 73 73 ALA CA C 73 50.370 52.045 -1.675 1
1 686 . 12 1 1 A 73 73 ALA CB C 73 17.230 19.416 -2.186 1
1 687 . 12 1 1 A 73 73 ALA N N 73 122.390 125.079 -2.689 1
1 688 . 12 1 1 A 74 74 THR H H 74 7.704 8.895 -1.191 1
1 689 . 12 1 1 A 74 74 THR C C 74 175.770 174.635 1.135 1
1 690 . 12 1 1 A 74 74 THR CA C 74 57.794 60.379 -2.585 1
1 691 . 12 1 1 A 74 74 THR CB C 74 67.994 69.263 -1.269 1
1 692 . 12 1 1 A 74 74 THR N N 74 114.834 119.118 -4.284 1
1 693 . 12 1 1 A 75 75 PRO HA H 75 4.386 4.648 -0.262 1
1 700 . 12 1 1 A 75 75 PRO CA C 75 61.440 64.320 -2.880 1
1 701 . 12 1 1 A 75 75 PRO CB C 75 30.088 31.660 -1.572 1
1 704 . 12 1 1 A 76 76 SER H H 76 8.209 8.143 0.066 1
1 705 . 12 1 1 A 76 76 SER HA H 76 4.373 4.710 -0.337 1
1 708 . 12 1 1 A 76 76 SER C C 76 175.051 174.009 1.042 1
1 709 . 12 1 1 A 76 76 SER CA C 76 56.360 57.824 -1.464 1
1 710 . 12 1 1 A 76 76 SER CB C 76 61.939 61.824 0.115 1
1 711 . 12 1 1 A 76 76 SER N N 76 115.319 114.814 0.505 1
1 712 . 12 1 1 A 77 77 GLY H H 77 8.124 8.459 -0.335 1
1 713 . 12 1 1 A 77 77 GLY HA2 H 77 4.093 4.055 0.038 1
1 714 . 12 1 1 A 77 77 GLY HA3 H 77 3.577 4.056 -0.479 1
1 715 . 12 1 1 A 77 77 GLY C C 77 173.087 172.307 0.780 1
1 716 . 12 1 1 A 77 77 GLY CA C 77 43.555 45.894 -2.339 1
1 717 . 12 1 1 A 77 77 GLY N N 77 110.791 112.736 -1.945 1
1 3 . 13 1 1 A 1 1 ALA HA H 5 4.015 4.283 -0.268 1
1 7 . 13 1 1 A 2 2 THR H H 6 7.608 8.537 -0.929 1
1 8 . 13 1 1 A 2 2 THR C C 2 174.815 174.681 0.134 1
1 9 . 13 1 1 A 2 2 THR CA C 2 56.801 63.152 -6.351 1
1 10 . 13 1 1 A 2 2 THR CB C 2 68.857 71.284 -2.427 1
1 11 . 13 1 1 A 2 2 THR N N 6 113.279 121.820 -8.541 1
1 12 . 13 1 1 A 5 5 PRO HA H 5 4.493 4.283 0.210 1
1 19 . 13 1 1 A 5 5 PRO CA C 5 61.290 63.337 -2.047 1
1 20 . 13 1 1 A 5 5 PRO CB C 5 30.190 31.964 -1.774 1
1 23 . 13 1 1 A 6 6 VAL H H 6 7.794 8.537 -0.743 1
1 24 . 13 1 1 A 6 6 VAL HA H 6 3.880 4.388 -0.508 1
1 32 . 13 1 1 A 6 6 VAL C C 6 175.059 176.440 -1.381 1
1 33 . 13 1 1 A 6 6 VAL CA C 6 59.560 63.790 -4.230 1
1 34 . 13 1 1 A 6 6 VAL CB C 6 30.680 31.486 -0.806 1
1 37 . 13 1 1 A 6 6 VAL N N 6 118.616 121.820 -3.204 1
1 38 . 13 1 1 A 7 7 ALA H H 7 8.029 8.582 -0.553 1
1 39 . 13 1 1 A 7 7 ALA HA H 7 4.167 4.103 0.064 1
1 43 . 13 1 1 A 7 7 ALA C C 7 173.395 178.048 -4.653 1
1 44 . 13 1 1 A 7 7 ALA CA C 7 50.780 52.595 -1.815 1
1 45 . 13 1 1 A 7 7 ALA CB C 7 18.292 19.326 -1.034 1
1 46 . 13 1 1 A 7 7 ALA N N 7 126.653 129.650 -2.997 1
1 47 . 13 1 1 A 8 8 GLU H H 8 8.587 7.874 0.713 1
1 48 . 13 1 1 A 8 8 GLU HA H 8 4.085 3.907 0.178 1
1 53 . 13 1 1 A 8 8 GLU C C 8 176.717 176.415 0.302 1
1 54 . 13 1 1 A 8 8 GLU CA C 8 56.520 58.295 -1.775 1
1 55 . 13 1 1 A 8 8 GLU CB C 8 27.393 27.169 0.224 1
1 57 . 13 1 1 A 8 8 GLU N N 8 118.049 112.376 5.673 1
1 58 . 13 1 1 A 9 9 CYS H H 9 7.348 8.095 -0.747 1
1 59 . 13 1 1 A 9 9 CYS HA H 9 4.422 4.538 -0.116 1
1 62 . 13 1 1 A 9 9 CYS C C 9 173.399 173.171 0.228 1
1 63 . 13 1 1 A 9 9 CYS CA C 9 51.850 56.287 -4.437 1
1 64 . 13 1 1 A 9 9 CYS CB C 9 38.617 41.992 -3.375 1
1 65 . 13 1 1 A 9 9 CYS N N 9 109.798 114.892 -5.094 1
1 66 . 13 1 1 A 10 10 VAL H H 10 7.682 7.296 0.386 1
1 67 . 13 1 1 A 10 10 VAL HA H 10 4.483 4.837 -0.354 1
1 75 . 13 1 1 A 10 10 VAL C C 10 172.261 174.250 -1.989 1
1 76 . 13 1 1 A 10 10 VAL CA C 10 60.360 59.489 0.871 1
1 77 . 13 1 1 A 10 10 VAL CB C 10 29.445 34.731 -5.286 1
1 80 . 13 1 1 A 10 10 VAL N N 10 125.088 117.772 7.316 1
1 81 . 13 1 1 A 11 11 GLU H H 11 8.322 8.933 -0.611 1
1 82 . 13 1 1 A 11 11 GLU HA H 11 4.644 4.828 -0.184 1
1 87 . 13 1 1 A 11 11 GLU C C 11 172.004 174.749 -2.745 1
1 88 . 13 1 1 A 11 11 GLU CA C 11 51.852 54.692 -2.840 1
1 89 . 13 1 1 A 11 11 GLU CB C 11 31.925 33.384 -1.459 1
1 91 . 13 1 1 A 11 11 GLU N N 11 124.099 125.727 -1.628 1
1 92 . 13 1 1 A 12 12 TYR H H 12 7.843 8.579 -0.736 1
1 93 . 13 1 1 A 12 12 TYR HA H 12 5.697 6.145 -0.448 1
1 100 . 13 1 1 A 12 12 TYR C C 12 172.281 174.062 -1.781 1
1 101 . 13 1 1 A 12 12 TYR CA C 12 53.160 55.937 -2.777 1
1 102 . 13 1 1 A 12 12 TYR CB C 12 40.610 41.167 -0.557 1
1 103 . 13 1 1 A 12 12 TYR N N 12 115.283 125.516 -10.233 1
1 104 . 13 1 1 A 13 13 PHE H H 13 9.057 8.914 0.143 1
1 105 . 13 1 1 A 13 13 PHE HA H 13 4.750 5.151 -0.401 1
1 106 . 13 1 1 A 13 13 PHE C C 13 170.766 173.588 -2.822 1
1 107 . 13 1 1 A 13 13 PHE CA C 13 54.815 57.472 -2.657 1
1 108 . 13 1 1 A 13 13 PHE CB C 13 39.947 42.107 -2.160 1
1 109 . 13 1 1 A 13 13 PHE N N 13 119.347 120.516 -1.169 1
1 110 . 13 1 1 A 14 14 GLN HA H 14 5.302 5.161 0.141 1
1 113 . 13 1 1 A 14 14 GLN CA C 14 53.700 54.289 -0.589 1
1 114 . 13 1 1 A 14 14 GLN CB C 14 30.685 30.337 0.348 1
1 115 . 13 1 1 A 15 15 SER H H 15 8.657 9.115 -0.458 1
1 116 . 13 1 1 A 15 15 SER HA H 15 4.715 4.948 -0.233 1
1 117 . 13 1 1 A 15 15 SER C C 15 172.296 174.807 -2.511 1
1 118 . 13 1 1 A 15 15 SER CA C 15 54.708 57.138 -2.430 1
1 119 . 13 1 1 A 15 15 SER CB C 15 64.456 63.068 1.388 1
1 120 . 13 1 1 A 15 15 SER N N 15 119.667 116.215 3.452 1
1 121 . 13 1 1 A 17 17 ARG HA H 17 3.413 4.141 -0.728 1
1 124 . 13 1 1 A 17 17 ARG CA C 17 55.648 55.729 -0.081 1
1 125 . 13 1 1 A 17 17 ARG CB C 17 29.496 29.753 -0.257 1
1 126 . 13 1 1 A 18 18 TYR H H 18 6.870 7.634 -0.764 1
1 127 . 13 1 1 A 18 18 TYR HA H 18 5.233 4.924 0.309 1
1 134 . 13 1 1 A 18 18 TYR C C 18 174.107 174.318 -0.211 1
1 135 . 13 1 1 A 18 18 TYR CA C 18 54.231 58.196 -3.965 1
1 136 . 13 1 1 A 18 18 TYR CB C 18 40.725 40.865 -0.140 1
1 137 . 13 1 1 A 18 18 TYR N N 18 114.525 120.265 -5.740 1
1 138 . 13 1 1 A 19 19 THR H H 19 8.684 9.071 -0.387 1
1 139 . 13 1 1 A 19 19 THR HA H 19 5.061 5.129 -0.068 1
1 144 . 13 1 1 A 19 19 THR C C 19 173.054 173.309 -0.255 1
1 145 . 13 1 1 A 19 19 THR CA C 19 60.704 62.489 -1.785 1
1 146 . 13 1 1 A 19 19 THR CB C 19 67.997 68.589 -0.592 1
1 148 . 13 1 1 A 19 19 THR N N 19 119.368 123.980 -4.612 1
1 149 . 13 1 1 A 20 20 ASP H H 20 8.975 8.493 0.482 1
1 150 . 13 1 1 A 20 20 ASP HA H 20 5.690 4.748 0.942 1
1 153 . 13 1 1 A 20 20 ASP C C 20 171.832 174.620 -2.788 1
1 154 . 13 1 1 A 20 20 ASP CA C 20 52.039 52.870 -0.831 1
1 155 . 13 1 1 A 20 20 ASP CB C 20 42.292 40.593 1.699 1
1 156 . 13 1 1 A 20 20 ASP N N 20 128.307 127.092 1.215 1
1 157 . 13 1 1 A 21 21 VAL H H 21 9.496 8.359 1.137 1
1 158 . 13 1 1 A 21 21 VAL HA H 21 4.775 4.738 0.037 1
1 166 . 13 1 1 A 21 21 VAL C C 21 173.611 174.435 -0.824 1
1 167 . 13 1 1 A 21 21 VAL CA C 21 59.478 60.614 -1.136 1
1 168 . 13 1 1 A 21 21 VAL CB C 21 32.243 33.725 -1.482 1
1 171 . 13 1 1 A 21 21 VAL N N 21 123.356 125.491 -2.135 1
1 172 . 13 1 1 A 22 22 HIS H H 22 8.973 8.582 0.391 1
1 173 . 13 1 1 A 22 22 HIS HA H 22 4.622 5.894 -1.272 1
1 177 . 13 1 1 A 22 22 HIS C C 22 171.626 173.960 -2.334 1
1 178 . 13 1 1 A 22 22 HIS CA C 22 49.980 54.613 -4.633 1
1 179 . 13 1 1 A 22 22 HIS CB C 22 28.390 31.665 -3.275 1
1 180 . 13 1 1 A 22 22 HIS N N 22 124.534 127.194 -2.660 1
1 181 . 13 1 1 A 23 23 ASN H H 23 8.317 9.261 -0.944 1
1 182 . 13 1 1 A 23 23 ASN HA H 23 4.517 4.760 -0.243 1
1 185 . 13 1 1 A 23 23 ASN C C 23 171.836 176.338 -4.502 1
1 186 . 13 1 1 A 23 23 ASN CA C 23 49.380 53.599 -4.219 1
1 187 . 13 1 1 A 23 23 ASN CB C 23 36.018 39.978 -3.960 1
1 188 . 13 1 1 A 23 23 ASN N N 23 123.095 123.621 -0.526 1
1 189 . 13 1 1 A 24 24 GLY H H 24 7.602 9.268 -1.666 1
1 190 . 13 1 1 A 24 24 GLY HA2 H 24 4.051 4.167 -0.116 1
1 191 . 13 1 1 A 24 24 GLY HA3 H 24 3.381 4.172 -0.791 1
1 192 . 13 1 1 A 24 24 GLY C C 24 171.684 174.207 -2.523 1
1 193 . 13 1 1 A 24 24 GLY CA C 24 42.936 45.642 -2.706 1
1 194 . 13 1 1 A 24 24 GLY N N 24 113.217 110.430 2.787 1
1 195 . 13 1 1 A 25 25 CYS H H 25 8.145 7.778 0.367 1
1 196 . 13 1 1 A 25 25 CYS HA H 25 4.544 4.659 -0.115 1
1 199 . 13 1 1 A 25 25 CYS C C 25 172.305 173.683 -1.378 1
1 200 . 13 1 1 A 25 25 CYS CA C 25 50.790 55.912 -5.122 1
1 201 . 13 1 1 A 25 25 CYS CB C 25 39.528 43.540 -4.012 1
1 202 . 13 1 1 A 25 25 CYS N N 25 119.843 118.588 1.255 1
1 203 . 13 1 1 A 26 26 ALA H H 26 8.111 8.698 -0.587 1
1 204 . 13 1 1 A 26 26 ALA HA H 26 4.084 4.296 -0.212 1
1 208 . 13 1 1 A 26 26 ALA C C 26 172.481 176.778 -4.297 1
1 209 . 13 1 1 A 26 26 ALA CA C 26 50.950 53.416 -2.466 1
1 210 . 13 1 1 A 26 26 ALA CB C 26 17.251 19.648 -2.397 1
1 211 . 13 1 1 A 26 26 ALA N N 26 119.852 124.529 -4.677 1
1 212 . 13 1 1 A 27 27 ASP H H 27 6.938 7.780 -0.842 1
1 213 . 13 1 1 A 27 27 ASP HA H 27 4.787 5.282 -0.495 1
1 216 . 13 1 1 A 27 27 ASP C C 27 174.263 174.802 -0.539 1
1 217 . 13 1 1 A 27 27 ASP CA C 27 49.550 52.243 -2.693 1
1 218 . 13 1 1 A 27 27 ASP CB C 27 42.250 44.352 -2.102 1
1 219 . 13 1 1 A 27 27 ASP N N 27 113.761 116.849 -3.088 1
1 220 . 13 1 1 A 28 28 ALA H H 28 8.454 8.378 0.076 1
1 221 . 13 1 1 A 28 28 ALA HA H 28 3.986 4.855 -0.869 1
1 225 . 13 1 1 A 28 28 ALA C C 28 173.188 177.660 -4.472 1
1 226 . 13 1 1 A 28 28 ALA CA C 28 50.550 52.189 -1.639 1
1 227 . 13 1 1 A 28 28 ALA CB C 28 16.820 19.060 -2.240 1
1 228 . 13 1 1 A 28 28 ALA N N 28 121.635 123.415 -1.780 1
1 229 . 13 1 1 A 29 29 VAL H H 29 7.742 8.472 -0.730 1
1 230 . 13 1 1 A 29 29 VAL HA H 29 4.553 4.861 -0.308 1
1 238 . 13 1 1 A 29 29 VAL C C 29 174.826 174.243 0.583 1
1 239 . 13 1 1 A 29 29 VAL CA C 29 57.140 59.246 -2.106 1
1 240 . 13 1 1 A 29 29 VAL CB C 29 33.000 35.215 -2.215 1
1 243 . 13 1 1 A 29 29 VAL N N 29 113.732 118.007 -4.275 1
1 244 . 13 1 1 A 30 30 SER H H 30 8.101 8.760 -0.659 1
1 245 . 13 1 1 A 30 30 SER HA H 30 5.338 4.992 0.346 1
1 248 . 13 1 1 A 30 30 SER C C 30 171.613 174.342 -2.729 1
1 249 . 13 1 1 A 30 30 SER CA C 30 54.310 58.222 -3.912 1
1 250 . 13 1 1 A 30 30 SER CB C 30 62.237 63.939 -1.702 1
1 251 . 13 1 1 A 30 30 SER N N 30 118.729 120.565 -1.836 1
1 252 . 13 1 1 A 31 31 VAL H H 31 8.780 9.702 -0.922 1
1 253 . 13 1 1 A 31 31 VAL HA H 31 5.146 4.932 0.214 1
1 261 . 13 1 1 A 31 31 VAL C C 31 172.831 174.141 -1.310 1
1 262 . 13 1 1 A 31 31 VAL CA C 31 56.940 59.321 -2.381 1
1 263 . 13 1 1 A 31 31 VAL CB C 31 35.030 34.424 0.606 1
1 266 . 13 1 1 A 31 31 VAL N N 31 119.018 120.469 -1.451 1
1 267 . 13 1 1 A 32 32 THR H H 32 8.366 9.715 -1.349 1
1 268 . 13 1 1 A 32 32 THR HA H 32 4.498 5.050 -0.552 1
1 273 . 13 1 1 A 32 32 THR C C 32 171.480 172.926 -1.446 1
1 274 . 13 1 1 A 32 32 THR CA C 32 57.100 59.458 -2.358 1
1 275 . 13 1 1 A 32 32 THR CB C 32 67.767 72.301 -4.534 1
1 277 . 13 1 1 A 32 32 THR N N 32 115.885 119.403 -3.518 1
1 278 . 13 1 1 A 33 33 VAL H H 33 6.720 8.536 -1.816 1
1 279 . 13 1 1 A 33 33 VAL HA H 33 3.950 4.993 -1.043 1
1 287 . 13 1 1 A 33 33 VAL C C 33 169.808 173.349 -3.541 1
1 288 . 13 1 1 A 33 33 VAL CA C 33 57.990 58.877 -0.887 1
1 289 . 13 1 1 A 33 33 VAL CB C 33 32.331 34.696 -2.365 1
1 292 . 13 1 1 A 33 33 VAL N N 33 119.716 120.989 -1.273 1
1 293 . 13 1 1 A 34 34 GLU H H 34 7.670 9.038 -1.368 1
1 294 . 13 1 1 A 34 34 GLU HA H 34 4.187 4.603 -0.416 1
1 297 . 13 1 1 A 34 34 GLU C C 34 171.032 174.791 -3.759 1
1 298 . 13 1 1 A 34 34 GLU CA C 34 51.930 54.164 -2.234 1
1 299 . 13 1 1 A 34 34 GLU CB C 34 29.430 31.384 -1.954 1
1 300 . 13 1 1 A 34 34 GLU N N 34 123.182 123.907 -0.725 1
1 301 . 13 1 1 A 35 35 TYR H H 35 8.500 8.701 -0.201 1
1 302 . 13 1 1 A 35 35 TYR HA H 35 4.646 4.986 -0.340 1
1 309 . 13 1 1 A 35 35 TYR C C 35 172.817 177.147 -4.330 1
1 310 . 13 1 1 A 35 35 TYR CA C 35 55.880 58.030 -2.150 1
1 311 . 13 1 1 A 35 35 TYR CB C 35 38.300 40.141 -1.841 1
1 312 . 13 1 1 A 35 35 TYR N N 35 122.953 126.155 -3.202 1
1 313 . 13 1 1 A 36 36 THR H H 36 8.295 9.459 -1.164 1
1 314 . 13 1 1 A 36 36 THR HA H 36 3.731 3.824 -0.093 1
1 319 . 13 1 1 A 36 36 THR C C 36 175.873 175.320 0.553 1
1 320 . 13 1 1 A 36 36 THR CA C 36 65.169 66.747 -1.578 1
1 321 . 13 1 1 A 36 36 THR CB C 36 67.700 68.873 -1.173 1
1 323 . 13 1 1 A 36 36 THR N N 36 119.739 118.254 1.485 1
1 324 . 13 1 1 A 37 37 HIS H H 37 8.755 7.800 0.955 1
1 325 . 13 1 1 A 37 37 HIS HA H 37 4.807 4.585 0.222 1
1 329 . 13 1 1 A 37 37 HIS C C 37 173.381 175.695 -2.314 1
1 330 . 13 1 1 A 37 37 HIS CA C 37 53.412 57.797 -4.385 1
1 331 . 13 1 1 A 37 37 HIS CB C 37 27.137 30.864 -3.727 1
1 332 . 13 1 1 A 37 37 HIS N N 37 115.916 115.341 0.575 1
1 333 . 13 1 1 A 38 38 GLY H H 38 7.856 7.602 0.254 1
1 334 . 13 1 1 A 38 38 GLY HA2 H 38 4.091 4.029 0.062 1
1 335 . 13 1 1 A 38 38 GLY HA3 H 38 3.795 4.064 -0.269 1
1 336 . 13 1 1 A 38 38 GLY C C 38 174.479 171.988 2.491 1
1 337 . 13 1 1 A 38 38 GLY CA C 38 43.935 45.956 -2.021 1
1 338 . 13 1 1 A 38 38 GLY N N 38 106.387 103.193 3.194 1
1 339 . 13 1 1 A 39 39 GLN H H 39 8.096 8.974 -0.878 1
1 340 . 13 1 1 A 39 39 GLN HA H 39 4.239 4.715 -0.476 1
1 345 . 13 1 1 A 39 39 GLN C C 39 171.748 175.251 -3.503 1
1 346 . 13 1 1 A 39 39 GLN CA C 39 55.050 53.821 1.229 1
1 347 . 13 1 1 A 39 39 GLN CB C 39 26.580 32.476 -5.896 1
1 349 . 13 1 1 A 39 39 GLN N N 39 119.846 122.186 -2.340 1
1 350 . 13 1 1 A 40 40 TRP H H 40 8.286 8.628 -0.342 1
1 351 . 13 1 1 A 40 40 TRP HA H 40 4.961 4.862 0.099 1
1 358 . 13 1 1 A 40 40 TRP C C 40 172.966 175.878 -2.912 1
1 359 . 13 1 1 A 40 40 TRP CA C 40 55.210 57.163 -1.953 1
1 360 . 13 1 1 A 40 40 TRP CB C 40 28.161 30.822 -2.661 1
1 361 . 13 1 1 A 40 40 TRP N N 40 121.182 121.822 -0.640 1
1 363 . 13 1 1 A 41 41 ALA H H 41 7.947 9.117 -1.170 1
1 364 . 13 1 1 A 41 41 ALA HA H 41 4.641 4.607 0.034 1
1 368 . 13 1 1 A 41 41 ALA C C 41 174.070 177.343 -3.273 1
1 369 . 13 1 1 A 41 41 ALA CA C 41 47.995 53.557 -5.562 1
1 370 . 13 1 1 A 41 41 ALA CB C 41 18.627 21.064 -2.437 1
1 371 . 13 1 1 A 41 41 ALA N N 41 126.752 121.775 4.977 1
1 372 . 13 1 1 A 42 42 PRO HA H 42 4.240 4.126 0.114 1
1 377 . 13 1 1 A 42 42 PRO CA C 42 60.853 62.505 -1.652 1
1 378 . 13 1 1 A 42 42 PRO CB C 42 30.203 29.068 1.135 1
1 379 . 13 1 1 A 43 43 CYS H H 43 8.229 8.749 -0.520 1
1 380 . 13 1 1 A 43 43 CYS HA H 43 4.643 5.035 -0.392 1
1 383 . 13 1 1 A 43 43 CYS C C 43 173.099 172.062 1.037 1
1 384 . 13 1 1 A 43 43 CYS CA C 43 53.574 56.740 -3.166 1
1 385 . 13 1 1 A 43 43 CYS CB C 43 39.464 45.121 -5.657 1
1 386 . 13 1 1 A 43 43 CYS N N 43 119.646 121.943 -2.297 1
1 387 . 13 1 1 A 44 44 ARG H H 44 8.931 9.422 -0.491 1
1 388 . 13 1 1 A 44 44 ARG HA H 44 4.653 4.868 -0.215 1
1 395 . 13 1 1 A 44 44 ARG C C 44 172.821 174.564 -1.743 1
1 396 . 13 1 1 A 44 44 ARG CA C 44 51.850 55.198 -3.348 1
1 397 . 13 1 1 A 44 44 ARG CB C 44 30.892 34.300 -3.408 1
1 400 . 13 1 1 A 44 44 ARG N N 44 128.546 125.994 2.552 1
1 401 . 13 1 1 A 45 45 VAL H H 45 8.242 8.635 -0.393 1
1 402 . 13 1 1 A 45 45 VAL HA H 45 4.625 4.629 -0.004 1
1 410 . 13 1 1 A 45 45 VAL C C 45 172.339 175.116 -2.777 1
1 411 . 13 1 1 A 45 45 VAL CA C 45 59.800 62.366 -2.566 1
1 412 . 13 1 1 A 45 45 VAL CB C 45 29.914 33.139 -3.225 1
1 415 . 13 1 1 A 45 45 VAL N N 45 123.347 124.931 -1.584 1
1 416 . 13 1 1 A 46 46 ILE H H 46 9.161 9.425 -0.264 1
1 417 . 13 1 1 A 46 46 ILE HA H 46 4.241 4.725 -0.484 1
1 427 . 13 1 1 A 46 46 ILE C C 46 174.656 175.354 -0.698 1
1 428 . 13 1 1 A 46 46 ILE CA C 46 58.660 59.809 -1.149 1
1 429 . 13 1 1 A 46 46 ILE CB C 46 37.551 39.915 -2.364 1
1 432 . 13 1 1 A 46 46 ILE N N 46 128.086 128.329 -0.243 1
1 433 . 13 1 1 A 47 47 GLU H H 47 9.214 8.623 0.591 1
1 434 . 13 1 1 A 47 47 GLU HA H 47 4.182 4.740 -0.558 1
1 439 . 13 1 1 A 47 47 GLU C C 47 174.413 174.743 -0.330 1
1 440 . 13 1 1 A 47 47 GLU CA C 47 53.820 54.345 -0.525 1
1 441 . 13 1 1 A 47 47 GLU CB C 47 25.600 29.348 -3.748 1
1 443 . 13 1 1 A 47 47 GLU N N 47 129.614 125.769 3.845 1
1 444 . 13 1 1 A 48 48 PRO HA H 48 3.872 4.624 -0.752 1
1 451 . 13 1 1 A 48 48 PRO CA C 48 62.770 63.879 -1.109 1
1 452 . 13 1 1 A 48 48 PRO CB C 48 29.241 31.377 -2.136 1
1 455 . 13 1 1 A 49 49 GLY H H 49 8.330 8.891 -0.561 1
1 456 . 13 1 1 A 49 49 GLY HA2 H 49 4.140 3.965 0.175 1
1 457 . 13 1 1 A 49 49 GLY HA3 H 49 3.702 4.002 -0.300 1
1 458 . 13 1 1 A 49 49 GLY C C 49 176.101 174.759 1.342 1
1 459 . 13 1 1 A 49 49 GLY CA C 49 43.930 45.339 -1.409 1
1 460 . 13 1 1 A 49 49 GLY N N 49 115.617 113.098 2.519 1
1 461 . 13 1 1 A 50 50 GLY H H 50 8.496 8.754 -0.258 1
1 462 . 13 1 1 A 50 50 GLY HA2 H 50 4.374 4.093 0.281 1
1 463 . 13 1 1 A 50 50 GLY HA3 H 50 3.614 4.122 -0.508 1
1 464 . 13 1 1 A 50 50 GLY C C 50 172.758 173.740 -0.982 1
1 465 . 13 1 1 A 50 50 GLY CA C 50 42.550 44.194 -1.644 1
1 466 . 13 1 1 A 50 50 GLY N N 50 108.129 107.968 0.161 1
1 467 . 13 1 1 A 51 51 TRP H H 51 8.184 8.717 -0.533 1
1 468 . 13 1 1 A 51 51 TRP HA H 51 5.778 6.392 -0.614 1
1 475 . 13 1 1 A 51 51 TRP C C 51 170.134 175.411 -5.277 1
1 476 . 13 1 1 A 51 51 TRP CA C 51 53.820 55.834 -2.014 1
1 477 . 13 1 1 A 51 51 TRP CB C 51 30.930 33.922 -2.992 1
1 478 . 13 1 1 A 51 51 TRP N N 51 117.328 120.160 -2.832 1
1 480 . 13 1 1 A 52 52 ALA H H 52 9.354 8.530 0.824 1
1 481 . 13 1 1 A 52 52 ALA HA H 52 4.654 4.958 -0.304 1
1 485 . 13 1 1 A 52 52 ALA C C 52 174.350 175.449 -1.099 1
1 486 . 13 1 1 A 52 52 ALA CA C 52 49.250 50.907 -1.657 1
1 487 . 13 1 1 A 52 52 ALA CB C 52 20.971 21.447 -0.476 1
1 488 . 13 1 1 A 52 52 ALA N N 52 122.785 123.012 -0.227 1
1 489 . 13 1 1 A 53 53 THR H H 53 8.059 8.469 -0.410 1
1 490 . 13 1 1 A 53 53 THR HA H 53 5.251 4.437 0.814 1
1 495 . 13 1 1 A 53 53 THR C C 53 173.703 173.757 -0.054 1
1 496 . 13 1 1 A 53 53 THR CA C 53 60.321 62.376 -2.055 1
1 497 . 13 1 1 A 53 53 THR CB C 53 69.150 69.150 0.000 1
1 499 . 13 1 1 A 53 53 THR N N 53 115.813 117.978 -2.165 1
1 500 . 13 1 1 A 54 54 PHE H H 54 9.370 8.298 1.072 1
1 501 . 13 1 1 A 54 54 PHE HA H 54 4.827 4.880 -0.053 1
1 508 . 13 1 1 A 54 54 PHE C C 54 171.593 174.911 -3.318 1
1 509 . 13 1 1 A 54 54 PHE CA C 54 53.813 56.423 -2.610 1
1 510 . 13 1 1 A 54 54 PHE CB C 54 40.556 42.972 -2.416 1
1 511 . 13 1 1 A 54 54 PHE N N 54 125.684 124.607 1.077 1
1 512 . 13 1 1 A 55 55 ALA H H 55 8.706 8.664 0.042 1
1 513 . 13 1 1 A 55 55 ALA HA H 55 4.362 4.253 0.109 1
1 517 . 13 1 1 A 55 55 ALA C C 55 173.468 177.765 -4.297 1
1 518 . 13 1 1 A 55 55 ALA CA C 55 52.010 52.138 -0.128 1
1 519 . 13 1 1 A 55 55 ALA CB C 55 16.740 18.723 -1.983 1
1 520 . 13 1 1 A 55 55 ALA N N 55 124.175 125.986 -1.811 1
1 521 . 13 1 1 A 56 56 GLY H H 56 7.517 8.698 -1.181 1
1 522 . 13 1 1 A 56 56 GLY HA2 H 56 4.252 4.135 0.117 1
1 523 . 13 1 1 A 56 56 GLY HA3 H 56 3.339 4.229 -0.890 1
1 524 . 13 1 1 A 56 56 GLY C C 56 178.583 173.488 5.095 1
1 525 . 13 1 1 A 56 56 GLY CA C 56 42.282 44.565 -2.283 1
1 526 . 13 1 1 A 56 56 GLY N N 56 110.256 110.563 -0.307 1
1 527 . 13 1 1 A 57 57 TYR H H 57 7.154 8.755 -1.601 1
1 528 . 13 1 1 A 57 57 TYR HA H 57 4.516 5.546 -1.030 1
1 535 . 13 1 1 A 57 57 TYR C C 57 170.587 175.283 -4.696 1
1 536 . 13 1 1 A 57 57 TYR CA C 57 55.130 56.849 -1.719 1
1 537 . 13 1 1 A 57 57 TYR CB C 57 36.127 37.679 -1.552 1
1 538 . 13 1 1 A 57 57 TYR N N 57 113.618 117.800 -4.182 1
1 539 . 13 1 1 A 58 58 GLY H H 58 8.498 8.401 0.097 1
1 540 . 13 1 1 A 58 58 GLY HA2 H 58 3.946 3.102 0.844 1
1 541 . 13 1 1 A 58 58 GLY HA3 H 58 3.420 3.713 -0.293 1
1 542 . 13 1 1 A 58 58 GLY C C 58 175.193 172.071 3.122 1
1 543 . 13 1 1 A 58 58 GLY CA C 58 43.806 43.839 -0.033 1
1 544 . 13 1 1 A 58 58 GLY N N 58 109.549 110.260 -0.711 1
1 545 . 13 1 1 A 59 59 THR H H 59 8.301 8.165 0.136 1
1 546 . 13 1 1 A 59 59 THR HA H 59 4.277 4.157 0.120 1
1 547 . 13 1 1 A 59 59 THR C C 59 172.318 174.788 -2.470 1
1 548 . 13 1 1 A 59 59 THR CA C 59 60.637 63.005 -2.368 1
1 549 . 13 1 1 A 59 59 THR CB C 59 67.412 68.917 -1.505 1
1 550 . 13 1 1 A 59 59 THR N N 59 111.031 114.968 -3.937 1
1 551 . 13 1 1 A 60 60 ASP H H 60 8.414 8.908 -0.494 1
1 552 . 13 1 1 A 60 60 ASP HA H 60 4.679 4.186 0.493 1
1 555 . 13 1 1 A 60 60 ASP C C 60 173.345 175.591 -2.246 1
1 556 . 13 1 1 A 60 60 ASP CA C 60 51.030 55.239 -4.209 1
1 557 . 13 1 1 A 60 60 ASP CB C 60 38.608 39.477 -0.869 1
1 558 . 13 1 1 A 60 60 ASP N N 60 120.007 122.760 -2.753 1
1 559 . 13 1 1 A 61 61 GLY H H 61 7.967 7.767 0.200 1
1 560 . 13 1 1 A 61 61 GLY HA2 H 61 3.550 3.968 -0.418 1
1 561 . 13 1 1 A 61 61 GLY HA3 H 61 2.879 3.970 -1.091 1
1 562 . 13 1 1 A 61 61 GLY C C 61 175.339 173.465 1.874 1
1 563 . 13 1 1 A 61 61 GLY CA C 61 44.956 44.402 0.554 1
1 564 . 13 1 1 A 61 61 GLY N N 61 108.692 107.022 1.670 1
1 565 . 13 1 1 A 62 62 ASN H H 62 8.507 8.585 -0.078 1
1 566 . 13 1 1 A 62 62 ASN HA H 62 4.455 5.653 -1.198 1
1 571 . 13 1 1 A 62 62 ASN C C 62 172.217 173.907 -1.690 1
1 572 . 13 1 1 A 62 62 ASN CA C 62 48.627 52.013 -3.386 1
1 573 . 13 1 1 A 62 62 ASN CB C 62 34.339 41.376 -7.037 1
1 574 . 13 1 1 A 62 62 ASN N N 62 120.625 119.283 1.342 1
1 576 . 13 1 1 A 63 63 TYR H H 63 6.994 8.961 -1.967 1
1 577 . 13 1 1 A 63 63 TYR HA H 63 4.477 4.901 -0.424 1
1 580 . 13 1 1 A 63 63 TYR C C 63 172.042 174.247 -2.205 1
1 581 . 13 1 1 A 63 63 TYR CA C 63 56.210 58.542 -2.332 1
1 582 . 13 1 1 A 63 63 TYR CB C 63 36.755 41.388 -4.633 1
1 583 . 13 1 1 A 63 63 TYR N N 63 116.333 120.932 -4.599 1
1 584 . 13 1 1 A 64 64 VAL H H 64 8.841 8.841 0.000 1
1 585 . 13 1 1 A 64 64 VAL HA H 64 3.689 3.738 -0.049 1
1 593 . 13 1 1 A 64 64 VAL C C 64 175.531 175.713 -0.182 1
1 594 . 13 1 1 A 64 64 VAL CA C 64 61.550 62.683 -1.133 1
1 595 . 13 1 1 A 64 64 VAL CB C 64 30.583 31.738 -1.155 1
1 598 . 13 1 1 A 64 64 VAL N N 64 123.889 126.331 -2.442 1
1 599 . 13 1 1 A 65 65 THR H H 65 8.850 9.157 -0.307 1
1 600 . 13 1 1 A 65 65 THR HA H 65 4.210 4.271 -0.061 1
1 605 . 13 1 1 A 65 65 THR C C 65 175.388 174.996 0.392 1
1 606 . 13 1 1 A 65 65 THR CA C 65 60.109 61.323 -1.214 1
1 607 . 13 1 1 A 65 65 THR CB C 65 66.710 70.306 -3.596 1
1 609 . 13 1 1 A 65 65 THR N N 65 119.739 119.195 0.544 1
1 610 . 13 1 1 A 66 66 GLY H H 66 6.907 7.318 -0.411 1
1 611 . 13 1 1 A 66 66 GLY HA2 H 66 3.769 4.224 -0.455 1
1 612 . 13 1 1 A 66 66 GLY HA3 H 66 3.583 4.259 -0.676 1
1 613 . 13 1 1 A 66 66 GLY C C 66 173.131 171.715 1.416 1
1 614 . 13 1 1 A 66 66 GLY CA C 66 42.950 44.783 -1.833 1
1 615 . 13 1 1 A 66 66 GLY N N 66 108.712 108.667 0.045 1
1 616 . 13 1 1 A 67 67 LEU H H 67 7.723 8.828 -1.105 1
1 617 . 13 1 1 A 67 67 LEU HA H 67 4.628 4.863 -0.235 1
1 626 . 13 1 1 A 67 67 LEU C C 67 167.522 176.288 -8.766 1
1 627 . 13 1 1 A 67 67 LEU CA C 67 51.200 54.534 -3.334 1
1 628 . 13 1 1 A 67 67 LEU CB C 67 42.747 42.679 0.068 1
1 631 . 13 1 1 A 67 67 LEU N N 67 118.448 126.307 -7.859 1
1 632 . 13 1 1 A 68 68 HIS H H 68 8.003 9.596 -1.593 1
1 633 . 13 1 1 A 68 68 HIS HA H 68 4.890 4.972 -0.082 1
1 637 . 13 1 1 A 68 68 HIS C C 68 174.161 174.168 -0.007 1
1 638 . 13 1 1 A 68 68 HIS CA C 68 52.180 54.106 -1.926 1
1 639 . 13 1 1 A 68 68 HIS CB C 68 31.877 33.475 -1.598 1
1 640 . 13 1 1 A 68 68 HIS N N 68 116.650 120.999 -4.349 1
1 641 . 13 1 1 A 69 69 THR H H 69 8.515 8.774 -0.259 1
1 642 . 13 1 1 A 69 69 THR HA H 69 4.808 4.293 0.515 1
1 647 . 13 1 1 A 69 69 THR C C 69 172.511 174.075 -1.564 1
1 648 . 13 1 1 A 69 69 THR CA C 69 60.130 62.941 -2.811 1
1 649 . 13 1 1 A 69 69 THR CB C 69 67.840 69.033 -1.193 1
1 651 . 13 1 1 A 69 69 THR N N 69 114.721 118.368 -3.647 1
1 652 . 13 1 1 A 70 70 CYS H H 70 7.731 9.734 -2.003 1
1 653 . 13 1 1 A 70 70 CYS HA H 70 4.786 5.148 -0.362 1
1 656 . 13 1 1 A 70 70 CYS C C 70 172.053 172.986 -0.933 1
1 657 . 13 1 1 A 70 70 CYS CA C 70 51.950 54.898 -2.948 1
1 658 . 13 1 1 A 70 70 CYS CB C 70 43.320 44.256 -0.936 1
1 659 . 13 1 1 A 70 70 CYS N N 70 117.575 126.118 -8.543 1
1 660 . 13 1 1 A 71 71 ASP H H 71 8.370 8.724 -0.354 1
1 661 . 13 1 1 A 71 71 ASP HA H 71 4.993 5.266 -0.273 1
1 664 . 13 1 1 A 71 71 ASP C C 71 169.692 174.763 -5.071 1
1 665 . 13 1 1 A 71 71 ASP CA C 71 48.815 51.492 -2.677 1
1 666 . 13 1 1 A 71 71 ASP CB C 71 40.118 42.081 -1.963 1
1 667 . 13 1 1 A 71 71 ASP N N 71 120.975 122.513 -1.538 1
1 668 . 13 1 1 A 72 72 PRO HA H 72 4.145 4.407 -0.262 1
1 675 . 13 1 1 A 72 72 PRO CA C 72 61.360 62.950 -1.590 1
1 676 . 13 1 1 A 72 72 PRO CB C 72 30.141 31.267 -1.126 1
1 679 . 13 1 1 A 73 73 ALA H H 73 8.169 8.306 -0.137 1
1 680 . 13 1 1 A 73 73 ALA HA H 73 4.247 4.582 -0.335 1
1 684 . 13 1 1 A 73 73 ALA C C 73 174.353 175.958 -1.605 1
1 685 . 13 1 1 A 73 73 ALA CA C 73 50.370 52.004 -1.634 1
1 686 . 13 1 1 A 73 73 ALA CB C 73 17.230 20.320 -3.090 1
1 687 . 13 1 1 A 73 73 ALA N N 73 122.390 124.675 -2.285 1
1 688 . 13 1 1 A 74 74 THR H H 74 7.704 8.824 -1.120 1
1 689 . 13 1 1 A 74 74 THR C C 74 175.770 173.231 2.539 1
1 690 . 13 1 1 A 74 74 THR CA C 74 57.794 60.497 -2.703 1
1 691 . 13 1 1 A 74 74 THR CB C 74 67.994 69.329 -1.335 1
1 692 . 13 1 1 A 74 74 THR N N 74 114.834 118.886 -4.052 1
1 693 . 13 1 1 A 75 75 PRO HA H 75 4.386 4.561 -0.175 1
1 700 . 13 1 1 A 75 75 PRO CA C 75 61.440 62.870 -1.430 1
1 701 . 13 1 1 A 75 75 PRO CB C 75 30.088 31.986 -1.898 1
1 704 . 13 1 1 A 76 76 SER H H 76 8.209 8.799 -0.590 1
1 705 . 13 1 1 A 76 76 SER HA H 76 4.373 4.681 -0.308 1
1 708 . 13 1 1 A 76 76 SER C C 76 175.051 175.403 -0.352 1
1 709 . 13 1 1 A 76 76 SER CA C 76 56.360 57.237 -0.877 1
1 710 . 13 1 1 A 76 76 SER CB C 76 61.939 65.616 -3.677 1
1 711 . 13 1 1 A 76 76 SER N N 76 115.319 118.586 -3.267 1
1 712 . 13 1 1 A 77 77 GLY H H 77 8.124 8.206 -0.082 1
1 713 . 13 1 1 A 77 77 GLY HA2 H 77 4.093 3.845 0.248 1
1 714 . 13 1 1 A 77 77 GLY HA3 H 77 3.577 3.857 -0.280 1
1 715 . 13 1 1 A 77 77 GLY C C 77 173.087 173.871 -0.784 1
1 716 . 13 1 1 A 77 77 GLY CA C 77 43.555 45.563 -2.008 1
1 717 . 13 1 1 A 77 77 GLY N N 77 110.791 108.718 2.073 1
1 3 . 14 1 1 A 1 1 ALA HA H 5 4.015 4.291 -0.276 1
1 7 . 14 1 1 A 2 2 THR H H 6 7.608 8.419 -0.811 1
1 8 . 14 1 1 A 2 2 THR C C 2 174.815 174.548 0.267 1
1 9 . 14 1 1 A 2 2 THR CA C 2 56.801 62.824 -6.023 1
1 10 . 14 1 1 A 2 2 THR CB C 2 68.857 68.849 0.008 1
1 11 . 14 1 1 A 2 2 THR N N 6 113.279 121.455 -8.176 1
1 12 . 14 1 1 A 5 5 PRO HA H 5 4.493 4.291 0.202 1
1 19 . 14 1 1 A 5 5 PRO CA C 5 61.290 63.391 -2.101 1
1 20 . 14 1 1 A 5 5 PRO CB C 5 30.190 31.873 -1.683 1
1 23 . 14 1 1 A 6 6 VAL H H 6 7.794 8.419 -0.625 1
1 24 . 14 1 1 A 6 6 VAL HA H 6 3.880 4.655 -0.775 1
1 32 . 14 1 1 A 6 6 VAL C C 6 175.059 176.482 -1.423 1
1 33 . 14 1 1 A 6 6 VAL CA C 6 59.560 63.581 -4.021 1
1 34 . 14 1 1 A 6 6 VAL CB C 6 30.680 31.581 -0.901 1
1 37 . 14 1 1 A 6 6 VAL N N 6 118.616 121.455 -2.839 1
1 38 . 14 1 1 A 7 7 ALA H H 7 8.029 8.579 -0.550 1
1 39 . 14 1 1 A 7 7 ALA HA H 7 4.167 4.100 0.067 1
1 43 . 14 1 1 A 7 7 ALA C C 7 173.395 178.028 -4.633 1
1 44 . 14 1 1 A 7 7 ALA CA C 7 50.780 52.447 -1.667 1
1 45 . 14 1 1 A 7 7 ALA CB C 7 18.292 19.212 -0.920 1
1 46 . 14 1 1 A 7 7 ALA N N 7 126.653 129.174 -2.521 1
1 47 . 14 1 1 A 8 8 GLU H H 8 8.587 7.685 0.902 1
1 48 . 14 1 1 A 8 8 GLU HA H 8 4.085 3.800 0.285 1
1 53 . 14 1 1 A 8 8 GLU C C 8 176.717 176.523 0.194 1
1 54 . 14 1 1 A 8 8 GLU CA C 8 56.520 58.423 -1.903 1
1 55 . 14 1 1 A 8 8 GLU CB C 8 27.393 27.097 0.296 1
1 57 . 14 1 1 A 8 8 GLU N N 8 118.049 112.672 5.377 1
1 58 . 14 1 1 A 9 9 CYS H H 9 7.348 7.951 -0.603 1
1 59 . 14 1 1 A 9 9 CYS HA H 9 4.422 4.590 -0.168 1
1 62 . 14 1 1 A 9 9 CYS C C 9 173.399 173.632 -0.233 1
1 63 . 14 1 1 A 9 9 CYS CA C 9 51.850 57.091 -5.241 1
1 64 . 14 1 1 A 9 9 CYS CB C 9 38.617 43.590 -4.973 1
1 65 . 14 1 1 A 9 9 CYS N N 9 109.798 116.556 -6.758 1
1 66 . 14 1 1 A 10 10 VAL H H 10 7.682 7.451 0.231 1
1 67 . 14 1 1 A 10 10 VAL HA H 10 4.483 4.357 0.126 1
1 75 . 14 1 1 A 10 10 VAL C C 10 172.261 174.642 -2.381 1
1 76 . 14 1 1 A 10 10 VAL CA C 10 60.360 60.634 -0.274 1
1 77 . 14 1 1 A 10 10 VAL CB C 10 29.445 33.356 -3.911 1
1 80 . 14 1 1 A 10 10 VAL N N 10 125.088 118.445 6.643 1
1 81 . 14 1 1 A 11 11 GLU H H 11 8.322 8.738 -0.416 1
1 82 . 14 1 1 A 11 11 GLU HA H 11 4.644 4.747 -0.103 1
1 87 . 14 1 1 A 11 11 GLU C C 11 172.004 174.624 -2.620 1
1 88 . 14 1 1 A 11 11 GLU CA C 11 51.852 54.827 -2.975 1
1 89 . 14 1 1 A 11 11 GLU CB C 11 31.925 33.257 -1.332 1
1 91 . 14 1 1 A 11 11 GLU N N 11 124.099 125.011 -0.912 1
1 92 . 14 1 1 A 12 12 TYR H H 12 7.843 8.591 -0.748 1
1 93 . 14 1 1 A 12 12 TYR HA H 12 5.697 6.211 -0.514 1
1 100 . 14 1 1 A 12 12 TYR C C 12 172.281 173.944 -1.663 1
1 101 . 14 1 1 A 12 12 TYR CA C 12 53.160 55.633 -2.473 1
1 102 . 14 1 1 A 12 12 TYR CB C 12 40.610 41.497 -0.887 1
1 103 . 14 1 1 A 12 12 TYR N N 12 115.283 125.546 -10.263 1
1 104 . 14 1 1 A 13 13 PHE H H 13 9.057 8.924 0.133 1
1 105 . 14 1 1 A 13 13 PHE HA H 13 4.750 4.856 -0.106 1
1 106 . 14 1 1 A 13 13 PHE C C 13 170.766 173.633 -2.867 1
1 107 . 14 1 1 A 13 13 PHE CA C 13 54.815 57.446 -2.631 1
1 108 . 14 1 1 A 13 13 PHE CB C 13 39.947 40.786 -0.839 1
1 109 . 14 1 1 A 13 13 PHE N N 13 119.347 120.048 -0.701 1
1 110 . 14 1 1 A 14 14 GLN HA H 14 5.302 5.115 0.187 1
1 113 . 14 1 1 A 14 14 GLN CA C 14 53.700 53.999 -0.299 1
1 114 . 14 1 1 A 14 14 GLN CB C 14 30.685 30.861 -0.176 1
1 115 . 14 1 1 A 15 15 SER H H 15 8.657 9.056 -0.399 1
1 116 . 14 1 1 A 15 15 SER HA H 15 4.715 4.751 -0.036 1
1 117 . 14 1 1 A 15 15 SER C C 15 172.296 174.358 -2.062 1
1 118 . 14 1 1 A 15 15 SER CA C 15 54.708 56.702 -1.994 1
1 119 . 14 1 1 A 15 15 SER CB C 15 64.456 64.373 0.083 1
1 120 . 14 1 1 A 15 15 SER N N 15 119.667 120.019 -0.352 1
1 121 . 14 1 1 A 17 17 ARG HA H 17 3.413 4.598 -1.185 1
1 124 . 14 1 1 A 17 17 ARG CA C 17 55.648 55.918 -0.270 1
1 125 . 14 1 1 A 17 17 ARG CB C 17 29.496 30.832 -1.336 1
1 126 . 14 1 1 A 18 18 TYR H H 18 6.870 7.720 -0.850 1
1 127 . 14 1 1 A 18 18 TYR HA H 18 5.233 5.179 0.054 1
1 134 . 14 1 1 A 18 18 TYR C C 18 174.107 174.063 0.044 1
1 135 . 14 1 1 A 18 18 TYR CA C 18 54.231 56.042 -1.811 1
1 136 . 14 1 1 A 18 18 TYR CB C 18 40.725 39.930 0.795 1
1 137 . 14 1 1 A 18 18 TYR N N 18 114.525 121.075 -6.550 1
1 138 . 14 1 1 A 19 19 THR H H 19 8.684 9.274 -0.590 1
1 139 . 14 1 1 A 19 19 THR HA H 19 5.061 5.255 -0.194 1
1 144 . 14 1 1 A 19 19 THR C C 19 173.054 173.414 -0.360 1
1 145 . 14 1 1 A 19 19 THR CA C 19 60.704 62.780 -2.076 1
1 146 . 14 1 1 A 19 19 THR CB C 19 67.997 68.559 -0.562 1
1 148 . 14 1 1 A 19 19 THR N N 19 119.368 123.767 -4.399 1
1 149 . 14 1 1 A 20 20 ASP H H 20 8.975 8.345 0.630 1
1 150 . 14 1 1 A 20 20 ASP HA H 20 5.690 4.849 0.841 1
1 153 . 14 1 1 A 20 20 ASP C C 20 171.832 174.473 -2.641 1
1 154 . 14 1 1 A 20 20 ASP CA C 20 52.039 52.685 -0.646 1
1 155 . 14 1 1 A 20 20 ASP CB C 20 42.292 40.535 1.757 1
1 156 . 14 1 1 A 20 20 ASP N N 20 128.307 126.962 1.345 1
1 157 . 14 1 1 A 21 21 VAL H H 21 9.496 8.292 1.204 1
1 158 . 14 1 1 A 21 21 VAL HA H 21 4.775 4.747 0.028 1
1 166 . 14 1 1 A 21 21 VAL C C 21 173.611 174.502 -0.891 1
1 167 . 14 1 1 A 21 21 VAL CA C 21 59.478 61.104 -1.626 1
1 168 . 14 1 1 A 21 21 VAL CB C 21 32.243 33.269 -1.026 1
1 171 . 14 1 1 A 21 21 VAL N N 21 123.356 125.842 -2.486 1
1 172 . 14 1 1 A 22 22 HIS H H 22 8.973 8.600 0.373 1
1 173 . 14 1 1 A 22 22 HIS HA H 22 4.622 5.822 -1.200 1
1 177 . 14 1 1 A 22 22 HIS C C 22 171.626 173.792 -2.166 1
1 178 . 14 1 1 A 22 22 HIS CA C 22 49.980 54.483 -4.503 1
1 179 . 14 1 1 A 22 22 HIS CB C 22 28.390 31.480 -3.090 1
1 180 . 14 1 1 A 22 22 HIS N N 22 124.534 126.809 -2.275 1
1 181 . 14 1 1 A 23 23 ASN H H 23 8.317 9.052 -0.735 1
1 182 . 14 1 1 A 23 23 ASN HA H 23 4.517 4.744 -0.227 1
1 185 . 14 1 1 A 23 23 ASN C C 23 171.836 176.351 -4.515 1
1 186 . 14 1 1 A 23 23 ASN CA C 23 49.380 53.605 -4.225 1
1 187 . 14 1 1 A 23 23 ASN CB C 23 36.018 39.794 -3.776 1
1 188 . 14 1 1 A 23 23 ASN N N 23 123.095 124.393 -1.298 1
1 189 . 14 1 1 A 24 24 GLY H H 24 7.602 8.712 -1.110 1
1 190 . 14 1 1 A 24 24 GLY HA2 H 24 4.051 4.182 -0.131 1
1 191 . 14 1 1 A 24 24 GLY HA3 H 24 3.381 4.186 -0.805 1
1 192 . 14 1 1 A 24 24 GLY C C 24 171.684 174.245 -2.561 1
1 193 . 14 1 1 A 24 24 GLY CA C 24 42.936 45.558 -2.622 1
1 194 . 14 1 1 A 24 24 GLY N N 24 113.217 110.631 2.586 1
1 195 . 14 1 1 A 25 25 CYS H H 25 8.145 7.968 0.177 1
1 196 . 14 1 1 A 25 25 CYS HA H 25 4.544 4.688 -0.144 1
1 199 . 14 1 1 A 25 25 CYS C C 25 172.305 173.660 -1.355 1
1 200 . 14 1 1 A 25 25 CYS CA C 25 50.790 56.066 -5.276 1
1 201 . 14 1 1 A 25 25 CYS CB C 25 39.528 43.494 -3.966 1
1 202 . 14 1 1 A 25 25 CYS N N 25 119.843 118.657 1.186 1
1 203 . 14 1 1 A 26 26 ALA H H 26 8.111 8.705 -0.594 1
1 204 . 14 1 1 A 26 26 ALA HA H 26 4.084 4.269 -0.185 1
1 208 . 14 1 1 A 26 26 ALA C C 26 172.481 176.775 -4.294 1
1 209 . 14 1 1 A 26 26 ALA CA C 26 50.950 53.548 -2.598 1
1 210 . 14 1 1 A 26 26 ALA CB C 26 17.251 19.287 -2.036 1
1 211 . 14 1 1 A 26 26 ALA N N 26 119.852 124.690 -4.838 1
1 212 . 14 1 1 A 27 27 ASP H H 27 6.938 7.751 -0.813 1
1 213 . 14 1 1 A 27 27 ASP HA H 27 4.787 5.282 -0.495 1
1 216 . 14 1 1 A 27 27 ASP C C 27 174.263 174.790 -0.527 1
1 217 . 14 1 1 A 27 27 ASP CA C 27 49.550 52.094 -2.544 1
1 218 . 14 1 1 A 27 27 ASP CB C 27 42.250 44.295 -2.045 1
1 219 . 14 1 1 A 27 27 ASP N N 27 113.761 117.260 -3.499 1
1 220 . 14 1 1 A 28 28 ALA H H 28 8.454 8.382 0.072 1
1 221 . 14 1 1 A 28 28 ALA HA H 28 3.986 4.976 -0.990 1
1 225 . 14 1 1 A 28 28 ALA C C 28 173.188 177.654 -4.466 1
1 226 . 14 1 1 A 28 28 ALA CA C 28 50.550 52.248 -1.698 1
1 227 . 14 1 1 A 28 28 ALA CB C 28 16.820 19.030 -2.210 1
1 228 . 14 1 1 A 28 28 ALA N N 28 121.635 123.337 -1.702 1
1 229 . 14 1 1 A 29 29 VAL H H 29 7.742 8.496 -0.754 1
1 230 . 14 1 1 A 29 29 VAL HA H 29 4.553 4.871 -0.318 1
1 238 . 14 1 1 A 29 29 VAL C C 29 174.826 174.266 0.560 1
1 239 . 14 1 1 A 29 29 VAL CA C 29 57.140 59.465 -2.325 1
1 240 . 14 1 1 A 29 29 VAL CB C 29 33.000 35.095 -2.095 1
1 243 . 14 1 1 A 29 29 VAL N N 29 113.732 118.244 -4.512 1
1 244 . 14 1 1 A 30 30 SER H H 30 8.101 8.825 -0.724 1
1 245 . 14 1 1 A 30 30 SER HA H 30 5.338 5.148 0.190 1
1 248 . 14 1 1 A 30 30 SER C C 30 171.613 174.419 -2.806 1
1 249 . 14 1 1 A 30 30 SER CA C 30 54.310 58.330 -4.020 1
1 250 . 14 1 1 A 30 30 SER CB C 30 62.237 63.958 -1.721 1
1 251 . 14 1 1 A 30 30 SER N N 30 118.729 121.095 -2.366 1
1 252 . 14 1 1 A 31 31 VAL H H 31 8.780 9.750 -0.970 1
1 253 . 14 1 1 A 31 31 VAL HA H 31 5.146 5.082 0.064 1
1 261 . 14 1 1 A 31 31 VAL C C 31 172.831 174.117 -1.286 1
1 262 . 14 1 1 A 31 31 VAL CA C 31 56.940 59.316 -2.376 1
1 263 . 14 1 1 A 31 31 VAL CB C 31 35.030 34.881 0.149 1
1 266 . 14 1 1 A 31 31 VAL N N 31 119.018 120.310 -1.292 1
1 267 . 14 1 1 A 32 32 THR H H 32 8.366 9.492 -1.126 1
1 268 . 14 1 1 A 32 32 THR HA H 32 4.498 5.062 -0.564 1
1 273 . 14 1 1 A 32 32 THR C C 32 171.480 172.492 -1.012 1
1 274 . 14 1 1 A 32 32 THR CA C 32 57.100 59.674 -2.574 1
1 275 . 14 1 1 A 32 32 THR CB C 32 67.767 72.178 -4.411 1
1 277 . 14 1 1 A 32 32 THR N N 32 115.885 117.842 -1.957 1
1 278 . 14 1 1 A 33 33 VAL H H 33 6.720 8.559 -1.839 1
1 279 . 14 1 1 A 33 33 VAL HA H 33 3.950 5.066 -1.116 1
1 287 . 14 1 1 A 33 33 VAL C C 33 169.808 173.364 -3.556 1
1 288 . 14 1 1 A 33 33 VAL CA C 33 57.990 58.859 -0.869 1
1 289 . 14 1 1 A 33 33 VAL CB C 33 32.331 34.703 -2.372 1
1 292 . 14 1 1 A 33 33 VAL N N 33 119.716 120.001 -0.285 1
1 293 . 14 1 1 A 34 34 GLU H H 34 7.670 9.041 -1.371 1
1 294 . 14 1 1 A 34 34 GLU HA H 34 4.187 4.557 -0.370 1
1 297 . 14 1 1 A 34 34 GLU C C 34 171.032 174.810 -3.778 1
1 298 . 14 1 1 A 34 34 GLU CA C 34 51.930 54.209 -2.279 1
1 299 . 14 1 1 A 34 34 GLU CB C 34 29.430 31.333 -1.903 1
1 300 . 14 1 1 A 34 34 GLU N N 34 123.182 124.127 -0.945 1
1 301 . 14 1 1 A 35 35 TYR H H 35 8.500 8.657 -0.157 1
1 302 . 14 1 1 A 35 35 TYR HA H 35 4.646 4.955 -0.309 1
1 309 . 14 1 1 A 35 35 TYR C C 35 172.817 177.246 -4.429 1
1 310 . 14 1 1 A 35 35 TYR CA C 35 55.880 57.975 -2.095 1
1 311 . 14 1 1 A 35 35 TYR CB C 35 38.300 40.150 -1.850 1
1 312 . 14 1 1 A 35 35 TYR N N 35 122.953 125.615 -2.662 1
1 313 . 14 1 1 A 36 36 THR H H 36 8.295 9.267 -0.972 1
1 314 . 14 1 1 A 36 36 THR HA H 36 3.731 3.862 -0.131 1
1 319 . 14 1 1 A 36 36 THR C C 36 175.873 175.354 0.519 1
1 320 . 14 1 1 A 36 36 THR CA C 36 65.169 66.791 -1.622 1
1 321 . 14 1 1 A 36 36 THR CB C 36 67.700 68.866 -1.166 1
1 323 . 14 1 1 A 36 36 THR N N 36 119.739 118.028 1.711 1
1 324 . 14 1 1 A 37 37 HIS H H 37 8.755 7.833 0.922 1
1 325 . 14 1 1 A 37 37 HIS HA H 37 4.807 4.561 0.246 1
1 329 . 14 1 1 A 37 37 HIS C C 37 173.381 175.694 -2.313 1
1 330 . 14 1 1 A 37 37 HIS CA C 37 53.412 57.819 -4.407 1
1 331 . 14 1 1 A 37 37 HIS CB C 37 27.137 30.501 -3.364 1
1 332 . 14 1 1 A 37 37 HIS N N 37 115.916 116.090 -0.174 1
1 333 . 14 1 1 A 38 38 GLY H H 38 7.856 7.612 0.244 1
1 334 . 14 1 1 A 38 38 GLY HA2 H 38 4.091 4.003 0.088 1
1 335 . 14 1 1 A 38 38 GLY HA3 H 38 3.795 4.042 -0.247 1
1 336 . 14 1 1 A 38 38 GLY C C 38 174.479 171.650 2.829 1
1 337 . 14 1 1 A 38 38 GLY CA C 38 43.935 46.092 -2.157 1
1 338 . 14 1 1 A 38 38 GLY N N 38 106.387 102.871 3.516 1
1 339 . 14 1 1 A 39 39 GLN H H 39 8.096 8.872 -0.776 1
1 340 . 14 1 1 A 39 39 GLN HA H 39 4.239 4.454 -0.215 1
1 345 . 14 1 1 A 39 39 GLN C C 39 171.748 174.886 -3.138 1
1 346 . 14 1 1 A 39 39 GLN CA C 39 55.050 54.720 0.330 1
1 347 . 14 1 1 A 39 39 GLN CB C 39 26.580 32.717 -6.137 1
1 349 . 14 1 1 A 39 39 GLN N N 39 119.846 122.045 -2.199 1
1 350 . 14 1 1 A 40 40 TRP H H 40 8.286 8.464 -0.178 1
1 351 . 14 1 1 A 40 40 TRP HA H 40 4.961 4.808 0.153 1
1 358 . 14 1 1 A 40 40 TRP C C 40 172.966 176.140 -3.174 1
1 359 . 14 1 1 A 40 40 TRP CA C 40 55.210 57.154 -1.944 1
1 360 . 14 1 1 A 40 40 TRP CB C 40 28.161 30.830 -2.669 1
1 361 . 14 1 1 A 40 40 TRP N N 40 121.182 121.485 -0.303 1
1 363 . 14 1 1 A 41 41 ALA H H 41 7.947 9.085 -1.138 1
1 364 . 14 1 1 A 41 41 ALA HA H 41 4.641 4.679 -0.038 1
1 368 . 14 1 1 A 41 41 ALA C C 41 174.070 177.754 -3.684 1
1 369 . 14 1 1 A 41 41 ALA CA C 41 47.995 53.416 -5.421 1
1 370 . 14 1 1 A 41 41 ALA CB C 41 18.627 21.173 -2.546 1
1 371 . 14 1 1 A 41 41 ALA N N 41 126.752 121.815 4.937 1
1 372 . 14 1 1 A 42 42 PRO HA H 42 4.240 4.162 0.078 1
1 377 . 14 1 1 A 42 42 PRO CA C 42 60.853 62.535 -1.682 1
1 378 . 14 1 1 A 42 42 PRO CB C 42 30.203 29.050 1.153 1
1 379 . 14 1 1 A 43 43 CYS H H 43 8.229 9.244 -1.015 1
1 380 . 14 1 1 A 43 43 CYS HA H 43 4.643 5.173 -0.530 1
1 383 . 14 1 1 A 43 43 CYS C C 43 173.099 172.235 0.864 1
1 384 . 14 1 1 A 43 43 CYS CA C 43 53.574 56.292 -2.718 1
1 385 . 14 1 1 A 43 43 CYS CB C 43 39.464 44.384 -4.920 1
1 386 . 14 1 1 A 43 43 CYS N N 43 119.646 120.807 -1.161 1
1 387 . 14 1 1 A 44 44 ARG H H 44 8.931 9.677 -0.746 1
1 388 . 14 1 1 A 44 44 ARG HA H 44 4.653 5.073 -0.420 1
1 395 . 14 1 1 A 44 44 ARG C C 44 172.821 174.961 -2.140 1
1 396 . 14 1 1 A 44 44 ARG CA C 44 51.850 54.221 -2.371 1
1 397 . 14 1 1 A 44 44 ARG CB C 44 30.892 33.795 -2.903 1
1 400 . 14 1 1 A 44 44 ARG N N 44 128.546 128.250 0.296 1
1 401 . 14 1 1 A 45 45 VAL H H 45 8.242 8.683 -0.441 1
1 402 . 14 1 1 A 45 45 VAL HA H 45 4.625 4.650 -0.025 1
1 410 . 14 1 1 A 45 45 VAL C C 45 172.339 175.280 -2.941 1
1 411 . 14 1 1 A 45 45 VAL CA C 45 59.800 62.334 -2.534 1
1 412 . 14 1 1 A 45 45 VAL CB C 45 29.914 33.072 -3.158 1
1 415 . 14 1 1 A 45 45 VAL N N 45 123.347 126.042 -2.695 1
1 416 . 14 1 1 A 46 46 ILE H H 46 9.161 9.457 -0.296 1
1 417 . 14 1 1 A 46 46 ILE HA H 46 4.241 4.650 -0.409 1
1 427 . 14 1 1 A 46 46 ILE C C 46 174.656 175.738 -1.082 1
1 428 . 14 1 1 A 46 46 ILE CA C 46 58.660 60.005 -1.345 1
1 429 . 14 1 1 A 46 46 ILE CB C 46 37.551 39.710 -2.159 1
1 432 . 14 1 1 A 46 46 ILE N N 46 128.086 129.238 -1.152 1
1 433 . 14 1 1 A 47 47 GLU H H 47 9.214 8.686 0.528 1
1 434 . 14 1 1 A 47 47 GLU HA H 47 4.182 4.718 -0.536 1
1 439 . 14 1 1 A 47 47 GLU C C 47 174.413 174.845 -0.432 1
1 440 . 14 1 1 A 47 47 GLU CA C 47 53.820 54.557 -0.737 1
1 441 . 14 1 1 A 47 47 GLU CB C 47 25.600 29.271 -3.671 1
1 443 . 14 1 1 A 47 47 GLU N N 47 129.614 126.980 2.634 1
1 444 . 14 1 1 A 48 48 PRO HA H 48 3.872 4.456 -0.584 1
1 451 . 14 1 1 A 48 48 PRO CA C 48 62.770 63.841 -1.071 1
1 452 . 14 1 1 A 48 48 PRO CB C 48 29.241 31.357 -2.116 1
1 455 . 14 1 1 A 49 49 GLY H H 49 8.330 8.926 -0.596 1
1 456 . 14 1 1 A 49 49 GLY HA2 H 49 4.140 3.953 0.187 1
1 457 . 14 1 1 A 49 49 GLY HA3 H 49 3.702 3.994 -0.292 1
1 458 . 14 1 1 A 49 49 GLY C C 49 176.101 174.716 1.385 1
1 459 . 14 1 1 A 49 49 GLY CA C 49 43.930 45.347 -1.417 1
1 460 . 14 1 1 A 49 49 GLY N N 49 115.617 113.101 2.516 1
1 461 . 14 1 1 A 50 50 GLY H H 50 8.496 8.656 -0.160 1
1 462 . 14 1 1 A 50 50 GLY HA2 H 50 4.374 4.106 0.268 1
1 463 . 14 1 1 A 50 50 GLY HA3 H 50 3.614 4.135 -0.521 1
1 464 . 14 1 1 A 50 50 GLY C C 50 172.758 173.638 -0.880 1
1 465 . 14 1 1 A 50 50 GLY CA C 50 42.550 44.234 -1.684 1
1 466 . 14 1 1 A 50 50 GLY N N 50 108.129 108.055 0.074 1
1 467 . 14 1 1 A 51 51 TRP H H 51 8.184 8.819 -0.635 1
1 468 . 14 1 1 A 51 51 TRP HA H 51 5.778 6.470 -0.692 1
1 475 . 14 1 1 A 51 51 TRP C C 51 170.134 175.427 -5.293 1
1 476 . 14 1 1 A 51 51 TRP CA C 51 53.820 55.998 -2.178 1
1 477 . 14 1 1 A 51 51 TRP CB C 51 30.930 33.725 -2.795 1
1 478 . 14 1 1 A 51 51 TRP N N 51 117.328 120.428 -3.100 1
1 480 . 14 1 1 A 52 52 ALA H H 52 9.354 8.631 0.723 1
1 481 . 14 1 1 A 52 52 ALA HA H 52 4.654 5.044 -0.390 1
1 485 . 14 1 1 A 52 52 ALA C C 52 174.350 175.355 -1.005 1
1 486 . 14 1 1 A 52 52 ALA CA C 52 49.250 50.765 -1.515 1
1 487 . 14 1 1 A 52 52 ALA CB C 52 20.971 21.251 -0.280 1
1 488 . 14 1 1 A 52 52 ALA N N 52 122.785 123.076 -0.291 1
1 489 . 14 1 1 A 53 53 THR H H 53 8.059 8.484 -0.425 1
1 490 . 14 1 1 A 53 53 THR HA H 53 5.251 4.631 0.620 1
1 495 . 14 1 1 A 53 53 THR C C 53 173.703 173.991 -0.288 1
1 496 . 14 1 1 A 53 53 THR CA C 53 60.321 62.569 -2.248 1
1 497 . 14 1 1 A 53 53 THR CB C 53 69.150 69.167 -0.017 1
1 499 . 14 1 1 A 53 53 THR N N 53 115.813 118.022 -2.209 1
1 500 . 14 1 1 A 54 54 PHE H H 54 9.370 8.868 0.502 1
1 501 . 14 1 1 A 54 54 PHE HA H 54 4.827 5.018 -0.191 1
1 508 . 14 1 1 A 54 54 PHE C C 54 171.593 175.029 -3.436 1
1 509 . 14 1 1 A 54 54 PHE CA C 54 53.813 56.573 -2.760 1
1 510 . 14 1 1 A 54 54 PHE CB C 54 40.556 43.072 -2.516 1
1 511 . 14 1 1 A 54 54 PHE N N 54 125.684 124.748 0.936 1
1 512 . 14 1 1 A 55 55 ALA H H 55 8.706 8.725 -0.019 1
1 513 . 14 1 1 A 55 55 ALA HA H 55 4.362 4.204 0.158 1
1 517 . 14 1 1 A 55 55 ALA C C 55 173.468 178.232 -4.764 1
1 518 . 14 1 1 A 55 55 ALA CA C 55 52.010 52.442 -0.432 1
1 519 . 14 1 1 A 55 55 ALA CB C 55 16.740 19.222 -2.482 1
1 520 . 14 1 1 A 55 55 ALA N N 55 124.175 126.574 -2.399 1
1 521 . 14 1 1 A 56 56 GLY H H 56 7.517 8.715 -1.198 1
1 522 . 14 1 1 A 56 56 GLY HA2 H 56 4.252 4.250 0.002 1
1 523 . 14 1 1 A 56 56 GLY HA3 H 56 3.339 4.292 -0.953 1
1 524 . 14 1 1 A 56 56 GLY C C 56 178.583 174.583 4.000 1
1 525 . 14 1 1 A 56 56 GLY CA C 56 42.282 44.704 -2.422 1
1 526 . 14 1 1 A 56 56 GLY N N 56 110.256 110.738 -0.482 1
1 527 . 14 1 1 A 57 57 TYR H H 57 7.154 8.900 -1.746 1
1 528 . 14 1 1 A 57 57 TYR HA H 57 4.516 5.301 -0.785 1
1 535 . 14 1 1 A 57 57 TYR C C 57 170.587 176.031 -5.444 1
1 536 . 14 1 1 A 57 57 TYR CA C 57 55.130 57.207 -2.077 1
1 537 . 14 1 1 A 57 57 TYR CB C 57 36.127 38.106 -1.979 1
1 538 . 14 1 1 A 57 57 TYR N N 57 113.618 118.075 -4.457 1
1 539 . 14 1 1 A 58 58 GLY H H 58 8.498 8.614 -0.116 1
1 540 . 14 1 1 A 58 58 GLY HA2 H 58 3.946 3.808 0.138 1
1 541 . 14 1 1 A 58 58 GLY HA3 H 58 3.420 3.944 -0.524 1
1 542 . 14 1 1 A 58 58 GLY C C 58 175.193 174.978 0.215 1
1 543 . 14 1 1 A 58 58 GLY CA C 58 43.806 45.565 -1.759 1
1 544 . 14 1 1 A 58 58 GLY N N 58 109.549 109.801 -0.252 1
1 545 . 14 1 1 A 59 59 THR H H 59 8.301 9.428 -1.127 1
1 546 . 14 1 1 A 59 59 THR HA H 59 4.277 4.048 0.229 1
1 547 . 14 1 1 A 59 59 THR C C 59 172.318 173.634 -1.316 1
1 548 . 14 1 1 A 59 59 THR CA C 59 60.637 63.014 -2.377 1
1 549 . 14 1 1 A 59 59 THR CB C 59 67.412 66.741 0.671 1
1 550 . 14 1 1 A 59 59 THR N N 59 111.031 117.220 -6.189 1
1 551 . 14 1 1 A 60 60 ASP H H 60 8.414 8.519 -0.105 1
1 552 . 14 1 1 A 60 60 ASP HA H 60 4.679 4.323 0.356 1
1 555 . 14 1 1 A 60 60 ASP C C 60 173.345 175.823 -2.478 1
1 556 . 14 1 1 A 60 60 ASP CA C 60 51.030 55.652 -4.622 1
1 557 . 14 1 1 A 60 60 ASP CB C 60 38.608 39.229 -0.621 1
1 558 . 14 1 1 A 60 60 ASP N N 60 120.007 113.408 6.599 1
1 559 . 14 1 1 A 61 61 GLY H H 61 7.967 7.787 0.180 1
1 560 . 14 1 1 A 61 61 GLY HA2 H 61 3.550 3.853 -0.303 1
1 561 . 14 1 1 A 61 61 GLY HA3 H 61 2.879 3.863 -0.984 1
1 562 . 14 1 1 A 61 61 GLY C C 61 175.339 174.021 1.318 1
1 563 . 14 1 1 A 61 61 GLY CA C 61 44.956 45.717 -0.761 1
1 564 . 14 1 1 A 61 61 GLY N N 61 108.692 106.169 2.523 1
1 565 . 14 1 1 A 62 62 ASN H H 62 8.507 8.041 0.466 1
1 566 . 14 1 1 A 62 62 ASN HA H 62 4.455 5.581 -1.126 1
1 571 . 14 1 1 A 62 62 ASN C C 62 172.217 173.940 -1.723 1
1 572 . 14 1 1 A 62 62 ASN CA C 62 48.627 52.464 -3.837 1
1 573 . 14 1 1 A 62 62 ASN CB C 62 34.339 40.789 -6.450 1
1 574 . 14 1 1 A 62 62 ASN N N 62 120.625 118.716 1.909 1
1 576 . 14 1 1 A 63 63 TYR H H 63 6.994 8.997 -2.003 1
1 577 . 14 1 1 A 63 63 TYR HA H 63 4.477 5.443 -0.966 1
1 580 . 14 1 1 A 63 63 TYR C C 63 172.042 174.646 -2.604 1
1 581 . 14 1 1 A 63 63 TYR CA C 63 56.210 55.611 0.599 1
1 582 . 14 1 1 A 63 63 TYR CB C 63 36.755 41.737 -4.982 1
1 583 . 14 1 1 A 63 63 TYR N N 63 116.333 124.618 -8.285 1
1 584 . 14 1 1 A 64 64 VAL H H 64 8.841 8.773 0.068 1
1 585 . 14 1 1 A 64 64 VAL HA H 64 3.689 3.992 -0.303 1
1 593 . 14 1 1 A 64 64 VAL C C 64 175.531 175.522 0.009 1
1 594 . 14 1 1 A 64 64 VAL CA C 64 61.550 62.497 -0.947 1
1 595 . 14 1 1 A 64 64 VAL CB C 64 30.583 31.788 -1.205 1
1 598 . 14 1 1 A 64 64 VAL N N 64 123.889 126.740 -2.851 1
1 599 . 14 1 1 A 65 65 THR H H 65 8.850 9.143 -0.293 1
1 600 . 14 1 1 A 65 65 THR HA H 65 4.210 4.248 -0.038 1
1 605 . 14 1 1 A 65 65 THR C C 65 175.388 175.090 0.298 1
1 606 . 14 1 1 A 65 65 THR CA C 65 60.109 61.499 -1.390 1
1 607 . 14 1 1 A 65 65 THR CB C 65 66.710 70.344 -3.634 1
1 609 . 14 1 1 A 65 65 THR N N 65 119.739 118.655 1.084 1
1 610 . 14 1 1 A 66 66 GLY H H 66 6.907 7.380 -0.473 1
1 611 . 14 1 1 A 66 66 GLY HA2 H 66 3.769 4.218 -0.449 1
1 612 . 14 1 1 A 66 66 GLY HA3 H 66 3.583 4.225 -0.642 1
1 613 . 14 1 1 A 66 66 GLY C C 66 173.131 171.631 1.500 1
1 614 . 14 1 1 A 66 66 GLY CA C 66 42.950 44.714 -1.764 1
1 615 . 14 1 1 A 66 66 GLY N N 66 108.712 109.013 -0.301 1
1 616 . 14 1 1 A 67 67 LEU H H 67 7.723 8.805 -1.082 1
1 617 . 14 1 1 A 67 67 LEU HA H 67 4.628 5.068 -0.440 1
1 626 . 14 1 1 A 67 67 LEU C C 67 167.522 176.105 -8.583 1
1 627 . 14 1 1 A 67 67 LEU CA C 67 51.200 54.398 -3.198 1
1 628 . 14 1 1 A 67 67 LEU CB C 67 42.747 42.820 -0.073 1
1 631 . 14 1 1 A 67 67 LEU N N 67 118.448 126.192 -7.744 1
1 632 . 14 1 1 A 68 68 HIS H H 68 8.003 9.501 -1.498 1
1 633 . 14 1 1 A 68 68 HIS HA H 68 4.890 4.931 -0.041 1
1 637 . 14 1 1 A 68 68 HIS C C 68 174.161 174.047 0.114 1
1 638 . 14 1 1 A 68 68 HIS CA C 68 52.180 54.441 -2.261 1
1 639 . 14 1 1 A 68 68 HIS CB C 68 31.877 33.572 -1.695 1
1 640 . 14 1 1 A 68 68 HIS N N 68 116.650 120.524 -3.874 1
1 641 . 14 1 1 A 69 69 THR H H 69 8.515 8.758 -0.243 1
1 642 . 14 1 1 A 69 69 THR HA H 69 4.808 4.360 0.448 1
1 647 . 14 1 1 A 69 69 THR C C 69 172.511 174.157 -1.646 1
1 648 . 14 1 1 A 69 69 THR CA C 69 60.130 62.860 -2.730 1
1 649 . 14 1 1 A 69 69 THR CB C 69 67.840 69.251 -1.411 1
1 651 . 14 1 1 A 69 69 THR N N 69 114.721 117.979 -3.258 1
1 652 . 14 1 1 A 70 70 CYS H H 70 7.731 9.821 -2.090 1
1 653 . 14 1 1 A 70 70 CYS HA H 70 4.786 5.133 -0.347 1
1 656 . 14 1 1 A 70 70 CYS C C 70 172.053 172.693 -0.640 1
1 657 . 14 1 1 A 70 70 CYS CA C 70 51.950 55.146 -3.196 1
1 658 . 14 1 1 A 70 70 CYS CB C 70 43.320 44.650 -1.330 1
1 659 . 14 1 1 A 70 70 CYS N N 70 117.575 126.354 -8.779 1
1 660 . 14 1 1 A 71 71 ASP H H 71 8.370 9.041 -0.671 1
1 661 . 14 1 1 A 71 71 ASP HA H 71 4.993 5.240 -0.247 1
1 664 . 14 1 1 A 71 71 ASP C C 71 169.692 173.808 -4.116 1
1 665 . 14 1 1 A 71 71 ASP CA C 71 48.815 51.396 -2.581 1
1 666 . 14 1 1 A 71 71 ASP CB C 71 40.118 43.713 -3.595 1
1 667 . 14 1 1 A 71 71 ASP N N 71 120.975 121.061 -0.086 1
1 668 . 14 1 1 A 72 72 PRO HA H 72 4.145 4.434 -0.289 1
1 675 . 14 1 1 A 72 72 PRO CA C 72 61.360 62.621 -1.261 1
1 676 . 14 1 1 A 72 72 PRO CB C 72 30.141 30.360 -0.219 1
1 679 . 14 1 1 A 73 73 ALA H H 73 8.169 8.182 -0.013 1
1 680 . 14 1 1 A 73 73 ALA HA H 73 4.247 4.527 -0.280 1
1 684 . 14 1 1 A 73 73 ALA C C 73 174.353 175.568 -1.215 1
1 685 . 14 1 1 A 73 73 ALA CA C 73 50.370 51.644 -1.274 1
1 686 . 14 1 1 A 73 73 ALA CB C 73 17.230 18.845 -1.615 1
1 687 . 14 1 1 A 73 73 ALA N N 73 122.390 124.660 -2.270 1
1 688 . 14 1 1 A 74 74 THR H H 74 7.704 8.413 -0.709 1
1 689 . 14 1 1 A 74 74 THR C C 74 175.770 173.701 2.069 1
1 690 . 14 1 1 A 74 74 THR CA C 74 57.794 60.286 -2.492 1
1 691 . 14 1 1 A 74 74 THR CB C 74 67.994 68.927 -0.933 1
1 692 . 14 1 1 A 74 74 THR N N 74 114.834 113.540 1.294 1
1 693 . 14 1 1 A 75 75 PRO HA H 75 4.386 4.844 -0.458 1
1 700 . 14 1 1 A 75 75 PRO CA C 75 61.440 62.325 -0.885 1
1 701 . 14 1 1 A 75 75 PRO CB C 75 30.088 32.034 -1.946 1
1 704 . 14 1 1 A 76 76 SER H H 76 8.209 8.608 -0.399 1
1 705 . 14 1 1 A 76 76 SER HA H 76 4.373 4.660 -0.287 1
1 708 . 14 1 1 A 76 76 SER C C 76 175.051 175.888 -0.837 1
1 709 . 14 1 1 A 76 76 SER CA C 76 56.360 57.203 -0.843 1
1 710 . 14 1 1 A 76 76 SER CB C 76 61.939 65.010 -3.071 1
1 711 . 14 1 1 A 76 76 SER N N 76 115.319 118.218 -2.899 1
1 712 . 14 1 1 A 77 77 GLY H H 77 8.124 8.282 -0.158 1
1 713 . 14 1 1 A 77 77 GLY HA2 H 77 4.093 3.449 0.644 1
1 714 . 14 1 1 A 77 77 GLY HA3 H 77 3.577 3.532 0.045 1
1 715 . 14 1 1 A 77 77 GLY C C 77 173.087 173.949 -0.862 1
1 716 . 14 1 1 A 77 77 GLY CA C 77 43.555 47.386 -3.831 1
1 717 . 14 1 1 A 77 77 GLY N N 77 110.791 111.376 -0.585 1
1 3 . 15 1 1 A 1 1 ALA HA H 5 4.015 4.303 -0.288 1
1 7 . 15 1 1 A 2 2 THR H H 6 7.608 8.588 -0.980 1
1 8 . 15 1 1 A 2 2 THR C C 2 174.815 174.414 0.401 1
1 9 . 15 1 1 A 2 2 THR CA C 2 56.801 61.301 -4.500 1
1 10 . 15 1 1 A 2 2 THR CB C 2 68.857 67.473 1.384 1
1 11 . 15 1 1 A 2 2 THR N N 6 113.279 121.311 -8.032 1
1 12 . 15 1 1 A 5 5 PRO HA H 5 4.493 4.303 0.190 1
1 19 . 15 1 1 A 5 5 PRO CA C 5 61.290 63.145 -1.855 1
1 20 . 15 1 1 A 5 5 PRO CB C 5 30.190 32.078 -1.888 1
1 23 . 15 1 1 A 6 6 VAL H H 6 7.794 8.588 -0.794 1
1 24 . 15 1 1 A 6 6 VAL HA H 6 3.880 4.505 -0.625 1
1 32 . 15 1 1 A 6 6 VAL C C 6 175.059 176.585 -1.526 1
1 33 . 15 1 1 A 6 6 VAL CA C 6 59.560 63.761 -4.201 1
1 34 . 15 1 1 A 6 6 VAL CB C 6 30.680 31.611 -0.931 1
1 37 . 15 1 1 A 6 6 VAL N N 6 118.616 121.311 -2.695 1
1 38 . 15 1 1 A 7 7 ALA H H 7 8.029 8.550 -0.521 1
1 39 . 15 1 1 A 7 7 ALA HA H 7 4.167 4.088 0.079 1
1 43 . 15 1 1 A 7 7 ALA C C 7 173.395 177.951 -4.556 1
1 44 . 15 1 1 A 7 7 ALA CA C 7 50.780 52.209 -1.429 1
1 45 . 15 1 1 A 7 7 ALA CB C 7 18.292 19.180 -0.888 1
1 46 . 15 1 1 A 7 7 ALA N N 7 126.653 129.594 -2.941 1
1 47 . 15 1 1 A 8 8 GLU H H 8 8.587 7.817 0.770 1
1 48 . 15 1 1 A 8 8 GLU HA H 8 4.085 3.832 0.253 1
1 53 . 15 1 1 A 8 8 GLU C C 8 176.717 176.272 0.445 1
1 54 . 15 1 1 A 8 8 GLU CA C 8 56.520 58.123 -1.603 1
1 55 . 15 1 1 A 8 8 GLU CB C 8 27.393 27.120 0.273 1
1 57 . 15 1 1 A 8 8 GLU N N 8 118.049 112.457 5.592 1
1 58 . 15 1 1 A 9 9 CYS H H 9 7.348 8.054 -0.706 1
1 59 . 15 1 1 A 9 9 CYS HA H 9 4.422 4.592 -0.170 1
1 62 . 15 1 1 A 9 9 CYS C C 9 173.399 173.459 -0.060 1
1 63 . 15 1 1 A 9 9 CYS CA C 9 51.850 57.637 -5.787 1
1 64 . 15 1 1 A 9 9 CYS CB C 9 38.617 43.013 -4.396 1
1 65 . 15 1 1 A 9 9 CYS N N 9 109.798 117.291 -7.493 1
1 66 . 15 1 1 A 10 10 VAL H H 10 7.682 7.431 0.251 1
1 67 . 15 1 1 A 10 10 VAL HA H 10 4.483 4.661 -0.178 1
1 75 . 15 1 1 A 10 10 VAL C C 10 172.261 174.384 -2.123 1
1 76 . 15 1 1 A 10 10 VAL CA C 10 60.360 60.230 0.130 1
1 77 . 15 1 1 A 10 10 VAL CB C 10 29.445 33.749 -4.304 1
1 80 . 15 1 1 A 10 10 VAL N N 10 125.088 118.572 6.516 1
1 81 . 15 1 1 A 11 11 GLU H H 11 8.322 8.785 -0.463 1
1 82 . 15 1 1 A 11 11 GLU HA H 11 4.644 4.642 0.002 1
1 87 . 15 1 1 A 11 11 GLU C C 11 172.004 174.530 -2.526 1
1 88 . 15 1 1 A 11 11 GLU CA C 11 51.852 54.737 -2.885 1
1 89 . 15 1 1 A 11 11 GLU CB C 11 31.925 33.276 -1.351 1
1 91 . 15 1 1 A 11 11 GLU N N 11 124.099 124.292 -0.193 1
1 92 . 15 1 1 A 12 12 TYR H H 12 7.843 8.445 -0.602 1
1 93 . 15 1 1 A 12 12 TYR HA H 12 5.697 6.295 -0.598 1
1 100 . 15 1 1 A 12 12 TYR C C 12 172.281 174.067 -1.786 1
1 101 . 15 1 1 A 12 12 TYR CA C 12 53.160 55.646 -2.486 1
1 102 . 15 1 1 A 12 12 TYR CB C 12 40.610 41.551 -0.941 1
1 103 . 15 1 1 A 12 12 TYR N N 12 115.283 124.857 -9.574 1
1 104 . 15 1 1 A 13 13 PHE H H 13 9.057 8.944 0.113 1
1 105 . 15 1 1 A 13 13 PHE HA H 13 4.750 5.178 -0.428 1
1 106 . 15 1 1 A 13 13 PHE C C 13 170.766 173.557 -2.791 1
1 107 . 15 1 1 A 13 13 PHE CA C 13 54.815 57.133 -2.318 1
1 108 . 15 1 1 A 13 13 PHE CB C 13 39.947 42.900 -2.953 1
1 109 . 15 1 1 A 13 13 PHE N N 13 119.347 120.815 -1.468 1
1 110 . 15 1 1 A 14 14 GLN HA H 14 5.302 4.908 0.394 1
1 113 . 15 1 1 A 14 14 GLN CA C 14 53.700 54.812 -1.112 1
1 114 . 15 1 1 A 14 14 GLN CB C 14 30.685 30.244 0.441 1
1 115 . 15 1 1 A 15 15 SER H H 15 8.657 8.964 -0.307 1
1 116 . 15 1 1 A 15 15 SER HA H 15 4.715 5.009 -0.294 1
1 117 . 15 1 1 A 15 15 SER C C 15 172.296 173.039 -0.743 1
1 118 . 15 1 1 A 15 15 SER CA C 15 54.708 57.156 -2.448 1
1 119 . 15 1 1 A 15 15 SER CB C 15 64.456 66.724 -2.268 1
1 120 . 15 1 1 A 15 15 SER N N 15 119.667 118.243 1.424 1
1 121 . 15 1 1 A 17 17 ARG HA H 17 3.413 3.667 -0.254 1
1 124 . 15 1 1 A 17 17 ARG CA C 17 55.648 57.117 -1.469 1
1 125 . 15 1 1 A 17 17 ARG CB C 17 29.496 26.628 2.868 1
1 126 . 15 1 1 A 18 18 TYR H H 18 6.870 7.833 -0.963 1
1 127 . 15 1 1 A 18 18 TYR HA H 18 5.233 4.914 0.319 1
1 134 . 15 1 1 A 18 18 TYR C C 18 174.107 174.378 -0.271 1
1 135 . 15 1 1 A 18 18 TYR CA C 18 54.231 57.938 -3.707 1
1 136 . 15 1 1 A 18 18 TYR CB C 18 40.725 41.183 -0.458 1
1 137 . 15 1 1 A 18 18 TYR N N 18 114.525 119.196 -4.671 1
1 138 . 15 1 1 A 19 19 THR H H 19 8.684 9.097 -0.413 1
1 139 . 15 1 1 A 19 19 THR HA H 19 5.061 5.091 -0.030 1
1 144 . 15 1 1 A 19 19 THR C C 19 173.054 173.375 -0.321 1
1 145 . 15 1 1 A 19 19 THR CA C 19 60.704 62.253 -1.549 1
1 146 . 15 1 1 A 19 19 THR CB C 19 67.997 68.791 -0.794 1
1 148 . 15 1 1 A 19 19 THR N N 19 119.368 123.414 -4.046 1
1 149 . 15 1 1 A 20 20 ASP H H 20 8.975 8.889 0.086 1
1 150 . 15 1 1 A 20 20 ASP HA H 20 5.690 4.788 0.902 1
1 153 . 15 1 1 A 20 20 ASP C C 20 171.832 174.533 -2.701 1
1 154 . 15 1 1 A 20 20 ASP CA C 20 52.039 52.646 -0.607 1
1 155 . 15 1 1 A 20 20 ASP CB C 20 42.292 40.750 1.542 1
1 156 . 15 1 1 A 20 20 ASP N N 20 128.307 126.944 1.363 1
1 157 . 15 1 1 A 21 21 VAL H H 21 9.496 8.335 1.161 1
1 158 . 15 1 1 A 21 21 VAL HA H 21 4.775 4.818 -0.043 1
1 166 . 15 1 1 A 21 21 VAL C C 21 173.611 174.554 -0.943 1
1 167 . 15 1 1 A 21 21 VAL CA C 21 59.478 60.618 -1.140 1
1 168 . 15 1 1 A 21 21 VAL CB C 21 32.243 33.531 -1.288 1
1 171 . 15 1 1 A 21 21 VAL N N 21 123.356 124.848 -1.492 1
1 172 . 15 1 1 A 22 22 HIS H H 22 8.973 8.582 0.391 1
1 173 . 15 1 1 A 22 22 HIS HA H 22 4.622 5.890 -1.268 1
1 177 . 15 1 1 A 22 22 HIS C C 22 171.626 173.788 -2.162 1
1 178 . 15 1 1 A 22 22 HIS CA C 22 49.980 54.599 -4.619 1
1 179 . 15 1 1 A 22 22 HIS CB C 22 28.390 31.452 -3.062 1
1 180 . 15 1 1 A 22 22 HIS N N 22 124.534 126.832 -2.298 1
1 181 . 15 1 1 A 23 23 ASN H H 23 8.317 9.102 -0.785 1
1 182 . 15 1 1 A 23 23 ASN HA H 23 4.517 4.783 -0.266 1
1 185 . 15 1 1 A 23 23 ASN C C 23 171.836 176.269 -4.433 1
1 186 . 15 1 1 A 23 23 ASN CA C 23 49.380 53.585 -4.205 1
1 187 . 15 1 1 A 23 23 ASN CB C 23 36.018 40.036 -4.018 1
1 188 . 15 1 1 A 23 23 ASN N N 23 123.095 124.262 -1.167 1
1 189 . 15 1 1 A 24 24 GLY H H 24 7.602 8.799 -1.197 1
1 190 . 15 1 1 A 24 24 GLY HA2 H 24 4.051 4.180 -0.129 1
1 191 . 15 1 1 A 24 24 GLY HA3 H 24 3.381 4.183 -0.802 1
1 192 . 15 1 1 A 24 24 GLY C C 24 171.684 174.199 -2.515 1
1 193 . 15 1 1 A 24 24 GLY CA C 24 42.936 45.655 -2.719 1
1 194 . 15 1 1 A 24 24 GLY N N 24 113.217 110.595 2.622 1
1 195 . 15 1 1 A 25 25 CYS H H 25 8.145 7.978 0.167 1
1 196 . 15 1 1 A 25 25 CYS HA H 25 4.544 4.703 -0.159 1
1 199 . 15 1 1 A 25 25 CYS C C 25 172.305 173.887 -1.582 1
1 200 . 15 1 1 A 25 25 CYS CA C 25 50.790 55.642 -4.852 1
1 201 . 15 1 1 A 25 25 CYS CB C 25 39.528 43.926 -4.398 1
1 202 . 15 1 1 A 25 25 CYS N N 25 119.843 118.672 1.171 1
1 203 . 15 1 1 A 26 26 ALA H H 26 8.111 8.741 -0.630 1
1 204 . 15 1 1 A 26 26 ALA HA H 26 4.084 4.230 -0.146 1
1 208 . 15 1 1 A 26 26 ALA C C 26 172.481 176.872 -4.391 1
1 209 . 15 1 1 A 26 26 ALA CA C 26 50.950 53.477 -2.527 1
1 210 . 15 1 1 A 26 26 ALA CB C 26 17.251 19.727 -2.476 1
1 211 . 15 1 1 A 26 26 ALA N N 26 119.852 124.816 -4.964 1
1 212 . 15 1 1 A 27 27 ASP H H 27 6.938 7.712 -0.774 1
1 213 . 15 1 1 A 27 27 ASP HA H 27 4.787 5.264 -0.477 1
1 216 . 15 1 1 A 27 27 ASP C C 27 174.263 175.080 -0.817 1
1 217 . 15 1 1 A 27 27 ASP CA C 27 49.550 52.244 -2.694 1
1 218 . 15 1 1 A 27 27 ASP CB C 27 42.250 44.166 -1.916 1
1 219 . 15 1 1 A 27 27 ASP N N 27 113.761 116.616 -2.855 1
1 220 . 15 1 1 A 28 28 ALA H H 28 8.454 8.346 0.108 1
1 221 . 15 1 1 A 28 28 ALA HA H 28 3.986 4.796 -0.810 1
1 225 . 15 1 1 A 28 28 ALA C C 28 173.188 177.703 -4.515 1
1 226 . 15 1 1 A 28 28 ALA CA C 28 50.550 52.449 -1.899 1
1 227 . 15 1 1 A 28 28 ALA CB C 28 16.820 19.117 -2.297 1
1 228 . 15 1 1 A 28 28 ALA N N 28 121.635 123.170 -1.535 1
1 229 . 15 1 1 A 29 29 VAL H H 29 7.742 8.916 -1.174 1
1 230 . 15 1 1 A 29 29 VAL HA H 29 4.553 4.845 -0.292 1
1 238 . 15 1 1 A 29 29 VAL C C 29 174.826 174.225 0.601 1
1 239 . 15 1 1 A 29 29 VAL CA C 29 57.140 59.382 -2.242 1
1 240 . 15 1 1 A 29 29 VAL CB C 29 33.000 35.096 -2.096 1
1 243 . 15 1 1 A 29 29 VAL N N 29 113.732 118.220 -4.488 1
1 244 . 15 1 1 A 30 30 SER H H 30 8.101 8.750 -0.649 1
1 245 . 15 1 1 A 30 30 SER HA H 30 5.338 5.049 0.289 1
1 248 . 15 1 1 A 30 30 SER C C 30 171.613 174.140 -2.527 1
1 249 . 15 1 1 A 30 30 SER CA C 30 54.310 57.920 -3.610 1
1 250 . 15 1 1 A 30 30 SER CB C 30 62.237 64.108 -1.871 1
1 251 . 15 1 1 A 30 30 SER N N 30 118.729 120.472 -1.743 1
1 252 . 15 1 1 A 31 31 VAL H H 31 8.780 9.566 -0.786 1
1 253 . 15 1 1 A 31 31 VAL HA H 31 5.146 4.983 0.163 1
1 261 . 15 1 1 A 31 31 VAL C C 31 172.831 174.098 -1.267 1
1 262 . 15 1 1 A 31 31 VAL CA C 31 56.940 59.233 -2.293 1
1 263 . 15 1 1 A 31 31 VAL CB C 31 35.030 35.275 -0.245 1
1 266 . 15 1 1 A 31 31 VAL N N 31 119.018 119.947 -0.929 1
1 267 . 15 1 1 A 32 32 THR H H 32 8.366 9.461 -1.095 1
1 268 . 15 1 1 A 32 32 THR HA H 32 4.498 4.866 -0.368 1
1 273 . 15 1 1 A 32 32 THR C C 32 171.480 172.514 -1.034 1
1 274 . 15 1 1 A 32 32 THR CA C 32 57.100 59.550 -2.450 1
1 275 . 15 1 1 A 32 32 THR CB C 32 67.767 71.964 -4.197 1
1 277 . 15 1 1 A 32 32 THR N N 32 115.885 118.305 -2.420 1
1 278 . 15 1 1 A 33 33 VAL H H 33 6.720 8.413 -1.693 1
1 279 . 15 1 1 A 33 33 VAL HA H 33 3.950 4.895 -0.945 1
1 287 . 15 1 1 A 33 33 VAL C C 33 169.808 173.338 -3.530 1
1 288 . 15 1 1 A 33 33 VAL CA C 33 57.990 59.611 -1.621 1
1 289 . 15 1 1 A 33 33 VAL CB C 33 32.331 34.218 -1.887 1
1 292 . 15 1 1 A 33 33 VAL N N 33 119.716 118.704 1.012 1
1 293 . 15 1 1 A 34 34 GLU H H 34 7.670 9.203 -1.533 1
1 294 . 15 1 1 A 34 34 GLU HA H 34 4.187 4.448 -0.261 1
1 297 . 15 1 1 A 34 34 GLU C C 34 171.032 175.009 -3.977 1
1 298 . 15 1 1 A 34 34 GLU CA C 34 51.930 54.205 -2.275 1
1 299 . 15 1 1 A 34 34 GLU CB C 34 29.430 30.884 -1.454 1
1 300 . 15 1 1 A 34 34 GLU N N 34 123.182 125.790 -2.608 1
1 301 . 15 1 1 A 35 35 TYR H H 35 8.500 8.660 -0.160 1
1 302 . 15 1 1 A 35 35 TYR HA H 35 4.646 4.872 -0.226 1
1 309 . 15 1 1 A 35 35 TYR C C 35 172.817 177.261 -4.444 1
1 310 . 15 1 1 A 35 35 TYR CA C 35 55.880 57.999 -2.119 1
1 311 . 15 1 1 A 35 35 TYR CB C 35 38.300 40.035 -1.735 1
1 312 . 15 1 1 A 35 35 TYR N N 35 122.953 125.888 -2.935 1
1 313 . 15 1 1 A 36 36 THR H H 36 8.295 9.097 -0.802 1
1 314 . 15 1 1 A 36 36 THR HA H 36 3.731 3.923 -0.192 1
1 319 . 15 1 1 A 36 36 THR C C 36 175.873 174.800 1.073 1
1 320 . 15 1 1 A 36 36 THR CA C 36 65.169 66.112 -0.943 1
1 321 . 15 1 1 A 36 36 THR CB C 36 67.700 68.903 -1.203 1
1 323 . 15 1 1 A 36 36 THR N N 36 119.739 116.936 2.803 1
1 324 . 15 1 1 A 37 37 HIS H H 37 8.755 7.969 0.786 1
1 325 . 15 1 1 A 37 37 HIS HA H 37 4.807 4.730 0.077 1
1 329 . 15 1 1 A 37 37 HIS C C 37 173.381 175.481 -2.100 1
1 330 . 15 1 1 A 37 37 HIS CA C 37 53.412 57.490 -4.078 1
1 331 . 15 1 1 A 37 37 HIS CB C 37 27.137 31.489 -4.352 1
1 332 . 15 1 1 A 37 37 HIS N N 37 115.916 114.184 1.732 1
1 333 . 15 1 1 A 38 38 GLY H H 38 7.856 7.812 0.044 1
1 334 . 15 1 1 A 38 38 GLY HA2 H 38 4.091 4.097 -0.006 1
1 335 . 15 1 1 A 38 38 GLY HA3 H 38 3.795 4.177 -0.382 1
1 336 . 15 1 1 A 38 38 GLY C C 38 174.479 172.628 1.851 1
1 337 . 15 1 1 A 38 38 GLY CA C 38 43.935 45.756 -1.821 1
1 338 . 15 1 1 A 38 38 GLY N N 38 106.387 103.690 2.697 1
1 339 . 15 1 1 A 39 39 GLN H H 39 8.096 8.734 -0.638 1
1 340 . 15 1 1 A 39 39 GLN HA H 39 4.239 4.568 -0.329 1
1 345 . 15 1 1 A 39 39 GLN C C 39 171.748 175.435 -3.687 1
1 346 . 15 1 1 A 39 39 GLN CA C 39 55.050 54.739 0.311 1
1 347 . 15 1 1 A 39 39 GLN CB C 39 26.580 29.297 -2.717 1
1 349 . 15 1 1 A 39 39 GLN N N 39 119.846 122.341 -2.495 1
1 350 . 15 1 1 A 40 40 TRP H H 40 8.286 8.144 0.142 1
1 351 . 15 1 1 A 40 40 TRP HA H 40 4.961 4.355 0.606 1
1 358 . 15 1 1 A 40 40 TRP C C 40 172.966 175.977 -3.011 1
1 359 . 15 1 1 A 40 40 TRP CA C 40 55.210 58.141 -2.931 1
1 360 . 15 1 1 A 40 40 TRP CB C 40 28.161 28.025 0.136 1
1 361 . 15 1 1 A 40 40 TRP N N 40 121.182 120.996 0.186 1
1 363 . 15 1 1 A 41 41 ALA H H 41 7.947 7.994 -0.047 1
1 364 . 15 1 1 A 41 41 ALA HA H 41 4.641 4.165 0.476 1
1 368 . 15 1 1 A 41 41 ALA C C 41 174.070 177.136 -3.066 1
1 369 . 15 1 1 A 41 41 ALA CA C 41 47.995 53.197 -5.202 1
1 370 . 15 1 1 A 41 41 ALA CB C 41 18.627 21.133 -2.506 1
1 371 . 15 1 1 A 41 41 ALA N N 41 126.752 129.500 -2.748 1
1 372 . 15 1 1 A 42 42 PRO HA H 42 4.240 4.048 0.192 1
1 377 . 15 1 1 A 42 42 PRO CA C 42 60.853 63.658 -2.805 1
1 378 . 15 1 1 A 42 42 PRO CB C 42 30.203 31.065 -0.862 1
1 379 . 15 1 1 A 43 43 CYS H H 43 8.229 8.234 -0.005 1
1 380 . 15 1 1 A 43 43 CYS HA H 43 4.643 4.823 -0.180 1
1 383 . 15 1 1 A 43 43 CYS C C 43 173.099 171.843 1.256 1
1 384 . 15 1 1 A 43 43 CYS CA C 43 53.574 56.799 -3.225 1
1 385 . 15 1 1 A 43 43 CYS CB C 43 39.464 43.431 -3.967 1
1 386 . 15 1 1 A 43 43 CYS N N 43 119.646 115.828 3.818 1
1 387 . 15 1 1 A 44 44 ARG H H 44 8.931 9.333 -0.402 1
1 388 . 15 1 1 A 44 44 ARG HA H 44 4.653 4.829 -0.176 1
1 395 . 15 1 1 A 44 44 ARG C C 44 172.821 174.356 -1.535 1
1 396 . 15 1 1 A 44 44 ARG CA C 44 51.850 55.379 -3.529 1
1 397 . 15 1 1 A 44 44 ARG CB C 44 30.892 34.443 -3.551 1
1 400 . 15 1 1 A 44 44 ARG N N 44 128.546 125.491 3.055 1
1 401 . 15 1 1 A 45 45 VAL H H 45 8.242 8.707 -0.465 1
1 402 . 15 1 1 A 45 45 VAL HA H 45 4.625 4.659 -0.034 1
1 410 . 15 1 1 A 45 45 VAL C C 45 172.339 174.834 -2.495 1
1 411 . 15 1 1 A 45 45 VAL CA C 45 59.800 62.067 -2.267 1
1 412 . 15 1 1 A 45 45 VAL CB C 45 29.914 33.331 -3.417 1
1 415 . 15 1 1 A 45 45 VAL N N 45 123.347 124.843 -1.496 1
1 416 . 15 1 1 A 46 46 ILE H H 46 9.161 9.396 -0.235 1
1 417 . 15 1 1 A 46 46 ILE HA H 46 4.241 4.772 -0.531 1
1 427 . 15 1 1 A 46 46 ILE C C 46 174.656 175.216 -0.560 1
1 428 . 15 1 1 A 46 46 ILE CA C 46 58.660 59.619 -0.959 1
1 429 . 15 1 1 A 46 46 ILE CB C 46 37.551 40.114 -2.563 1
1 432 . 15 1 1 A 46 46 ILE N N 46 128.086 128.299 -0.213 1
1 433 . 15 1 1 A 47 47 GLU H H 47 9.214 8.576 0.638 1
1 434 . 15 1 1 A 47 47 GLU HA H 47 4.182 4.764 -0.582 1
1 439 . 15 1 1 A 47 47 GLU C C 47 174.413 174.693 -0.280 1
1 440 . 15 1 1 A 47 47 GLU CA C 47 53.820 54.113 -0.293 1
1 441 . 15 1 1 A 47 47 GLU CB C 47 25.600 29.257 -3.657 1
1 443 . 15 1 1 A 47 47 GLU N N 47 129.614 125.904 3.710 1
1 444 . 15 1 1 A 48 48 PRO HA H 48 3.872 4.492 -0.620 1
1 451 . 15 1 1 A 48 48 PRO CA C 48 62.770 63.812 -1.042 1
1 452 . 15 1 1 A 48 48 PRO CB C 48 29.241 31.340 -2.099 1
1 455 . 15 1 1 A 49 49 GLY H H 49 8.330 8.628 -0.298 1
1 456 . 15 1 1 A 49 49 GLY HA2 H 49 4.140 3.972 0.168 1
1 457 . 15 1 1 A 49 49 GLY HA3 H 49 3.702 4.014 -0.312 1
1 458 . 15 1 1 A 49 49 GLY C C 49 176.101 174.457 1.644 1
1 459 . 15 1 1 A 49 49 GLY CA C 49 43.930 45.374 -1.444 1
1 460 . 15 1 1 A 49 49 GLY N N 49 115.617 113.075 2.542 1
1 461 . 15 1 1 A 50 50 GLY H H 50 8.496 8.651 -0.155 1
1 462 . 15 1 1 A 50 50 GLY HA2 H 50 4.374 4.086 0.288 1
1 463 . 15 1 1 A 50 50 GLY HA3 H 50 3.614 4.110 -0.496 1
1 464 . 15 1 1 A 50 50 GLY C C 50 172.758 173.731 -0.973 1
1 465 . 15 1 1 A 50 50 GLY CA C 50 42.550 44.234 -1.684 1
1 466 . 15 1 1 A 50 50 GLY N N 50 108.129 108.272 -0.143 1
1 467 . 15 1 1 A 51 51 TRP H H 51 8.184 8.663 -0.479 1
1 468 . 15 1 1 A 51 51 TRP HA H 51 5.778 6.385 -0.607 1
1 475 . 15 1 1 A 51 51 TRP C C 51 170.134 175.491 -5.357 1
1 476 . 15 1 1 A 51 51 TRP CA C 51 53.820 55.858 -2.038 1
1 477 . 15 1 1 A 51 51 TRP CB C 51 30.930 34.010 -3.080 1
1 478 . 15 1 1 A 51 51 TRP N N 51 117.328 120.385 -3.057 1
1 480 . 15 1 1 A 52 52 ALA H H 52 9.354 8.938 0.416 1
1 481 . 15 1 1 A 52 52 ALA HA H 52 4.654 4.849 -0.195 1
1 485 . 15 1 1 A 52 52 ALA C C 52 174.350 175.355 -1.005 1
1 486 . 15 1 1 A 52 52 ALA CA C 52 49.250 50.975 -1.725 1
1 487 . 15 1 1 A 52 52 ALA CB C 52 20.971 21.304 -0.333 1
1 488 . 15 1 1 A 52 52 ALA N N 52 122.785 123.129 -0.344 1
1 489 . 15 1 1 A 53 53 THR H H 53 8.059 8.397 -0.338 1
1 490 . 15 1 1 A 53 53 THR HA H 53 5.251 4.501 0.750 1
1 495 . 15 1 1 A 53 53 THR C C 53 173.703 173.538 0.165 1
1 496 . 15 1 1 A 53 53 THR CA C 53 60.321 62.329 -2.008 1
1 497 . 15 1 1 A 53 53 THR CB C 53 69.150 69.234 -0.084 1
1 499 . 15 1 1 A 53 53 THR N N 53 115.813 117.824 -2.011 1
1 500 . 15 1 1 A 54 54 PHE H H 54 9.370 8.322 1.048 1
1 501 . 15 1 1 A 54 54 PHE HA H 54 4.827 4.897 -0.070 1
1 508 . 15 1 1 A 54 54 PHE C C 54 171.593 174.986 -3.393 1
1 509 . 15 1 1 A 54 54 PHE CA C 54 53.813 56.538 -2.725 1
1 510 . 15 1 1 A 54 54 PHE CB C 54 40.556 42.974 -2.418 1
1 511 . 15 1 1 A 54 54 PHE N N 54 125.684 123.672 2.012 1
1 512 . 15 1 1 A 55 55 ALA H H 55 8.706 8.207 0.499 1
1 513 . 15 1 1 A 55 55 ALA HA H 55 4.362 4.203 0.159 1
1 517 . 15 1 1 A 55 55 ALA C C 55 173.468 178.004 -4.536 1
1 518 . 15 1 1 A 55 55 ALA CA C 55 52.010 52.236 -0.226 1
1 519 . 15 1 1 A 55 55 ALA CB C 55 16.740 19.096 -2.356 1
1 520 . 15 1 1 A 55 55 ALA N N 55 124.175 126.133 -1.958 1
1 521 . 15 1 1 A 56 56 GLY H H 56 7.517 8.708 -1.191 1
1 522 . 15 1 1 A 56 56 GLY HA2 H 56 4.252 4.133 0.119 1
1 523 . 15 1 1 A 56 56 GLY HA3 H 56 3.339 4.187 -0.848 1
1 524 . 15 1 1 A 56 56 GLY C C 56 178.583 174.084 4.499 1
1 525 . 15 1 1 A 56 56 GLY CA C 56 42.282 44.683 -2.401 1
1 526 . 15 1 1 A 56 56 GLY N N 56 110.256 110.642 -0.386 1
1 527 . 15 1 1 A 57 57 TYR H H 57 7.154 9.173 -2.019 1
1 528 . 15 1 1 A 57 57 TYR HA H 57 4.516 4.919 -0.403 1
1 535 . 15 1 1 A 57 57 TYR C C 57 170.587 176.385 -5.798 1
1 536 . 15 1 1 A 57 57 TYR CA C 57 55.130 56.886 -1.756 1
1 537 . 15 1 1 A 57 57 TYR CB C 57 36.127 37.920 -1.793 1
1 538 . 15 1 1 A 57 57 TYR N N 57 113.618 119.194 -5.576 1
1 539 . 15 1 1 A 58 58 GLY H H 58 8.498 8.552 -0.054 1
1 540 . 15 1 1 A 58 58 GLY HA2 H 58 3.946 3.426 0.520 1
1 541 . 15 1 1 A 58 58 GLY HA3 H 58 3.420 3.477 -0.057 1
1 542 . 15 1 1 A 58 58 GLY C C 58 175.193 173.865 1.328 1
1 543 . 15 1 1 A 58 58 GLY CA C 58 43.806 45.050 -1.244 1
1 544 . 15 1 1 A 58 58 GLY N N 58 109.549 109.218 0.331 1
1 545 . 15 1 1 A 59 59 THR H H 59 8.301 7.588 0.713 1
1 546 . 15 1 1 A 59 59 THR HA H 59 4.277 4.473 -0.196 1
1 547 . 15 1 1 A 59 59 THR C C 59 172.318 173.725 -1.407 1
1 548 . 15 1 1 A 59 59 THR CA C 59 60.637 60.718 -0.081 1
1 549 . 15 1 1 A 59 59 THR CB C 59 67.412 69.594 -2.182 1
1 550 . 15 1 1 A 59 59 THR N N 59 111.031 112.722 -1.691 1
1 551 . 15 1 1 A 60 60 ASP H H 60 8.414 8.230 0.184 1
1 552 . 15 1 1 A 60 60 ASP HA H 60 4.679 4.359 0.320 1
1 555 . 15 1 1 A 60 60 ASP C C 60 173.345 176.754 -3.409 1
1 556 . 15 1 1 A 60 60 ASP CA C 60 51.030 56.433 -5.403 1
1 557 . 15 1 1 A 60 60 ASP CB C 60 38.608 39.406 -0.798 1
1 558 . 15 1 1 A 60 60 ASP N N 60 120.007 117.517 2.490 1
1 559 . 15 1 1 A 61 61 GLY H H 61 7.967 7.990 -0.023 1
1 560 . 15 1 1 A 61 61 GLY HA2 H 61 3.550 3.732 -0.182 1
1 561 . 15 1 1 A 61 61 GLY HA3 H 61 2.879 3.768 -0.889 1
1 562 . 15 1 1 A 61 61 GLY C C 61 175.339 173.902 1.437 1
1 563 . 15 1 1 A 61 61 GLY CA C 61 44.956 47.170 -2.214 1
1 564 . 15 1 1 A 61 61 GLY N N 61 108.692 107.359 1.333 1
1 565 . 15 1 1 A 62 62 ASN H H 62 8.507 8.617 -0.110 1
1 566 . 15 1 1 A 62 62 ASN HA H 62 4.455 5.444 -0.989 1
1 571 . 15 1 1 A 62 62 ASN C C 62 172.217 173.971 -1.754 1
1 572 . 15 1 1 A 62 62 ASN CA C 62 48.627 52.682 -4.055 1
1 573 . 15 1 1 A 62 62 ASN CB C 62 34.339 39.639 -5.300 1
1 574 . 15 1 1 A 62 62 ASN N N 62 120.625 122.915 -2.290 1
1 576 . 15 1 1 A 63 63 TYR H H 63 6.994 8.957 -1.963 1
1 577 . 15 1 1 A 63 63 TYR HA H 63 4.477 5.373 -0.896 1
1 580 . 15 1 1 A 63 63 TYR C C 63 172.042 174.420 -2.378 1
1 581 . 15 1 1 A 63 63 TYR CA C 63 56.210 55.340 0.870 1
1 582 . 15 1 1 A 63 63 TYR CB C 63 36.755 41.505 -4.750 1
1 583 . 15 1 1 A 63 63 TYR N N 63 116.333 124.656 -8.323 1
1 584 . 15 1 1 A 64 64 VAL H H 64 8.841 8.686 0.155 1
1 585 . 15 1 1 A 64 64 VAL HA H 64 3.689 3.712 -0.023 1
1 593 . 15 1 1 A 64 64 VAL C C 64 175.531 174.606 0.925 1
1 594 . 15 1 1 A 64 64 VAL CA C 64 61.550 63.202 -1.652 1
1 595 . 15 1 1 A 64 64 VAL CB C 64 30.583 31.475 -0.892 1
1 598 . 15 1 1 A 64 64 VAL N N 64 123.889 127.199 -3.310 1
1 599 . 15 1 1 A 65 65 THR H H 65 8.850 8.780 0.070 1
1 600 . 15 1 1 A 65 65 THR HA H 65 4.210 4.301 -0.091 1
1 605 . 15 1 1 A 65 65 THR C C 65 175.388 173.721 1.667 1
1 606 . 15 1 1 A 65 65 THR CA C 65 60.109 61.355 -1.246 1
1 607 . 15 1 1 A 65 65 THR CB C 65 66.710 70.703 -3.993 1
1 609 . 15 1 1 A 65 65 THR N N 65 119.739 122.550 -2.811 1
1 610 . 15 1 1 A 66 66 GLY H H 66 6.907 7.128 -0.221 1
1 611 . 15 1 1 A 66 66 GLY HA2 H 66 3.769 4.247 -0.478 1
1 612 . 15 1 1 A 66 66 GLY HA3 H 66 3.583 4.265 -0.682 1
1 613 . 15 1 1 A 66 66 GLY C C 66 173.131 171.850 1.281 1
1 614 . 15 1 1 A 66 66 GLY CA C 66 42.950 45.064 -2.114 1
1 615 . 15 1 1 A 66 66 GLY N N 66 108.712 109.662 -0.950 1
1 616 . 15 1 1 A 67 67 LEU H H 67 7.723 8.906 -1.183 1
1 617 . 15 1 1 A 67 67 LEU HA H 67 4.628 4.976 -0.348 1
1 626 . 15 1 1 A 67 67 LEU C C 67 167.522 176.119 -8.597 1
1 627 . 15 1 1 A 67 67 LEU CA C 67 51.200 54.761 -3.561 1
1 628 . 15 1 1 A 67 67 LEU CB C 67 42.747 42.599 0.148 1
1 631 . 15 1 1 A 67 67 LEU N N 67 118.448 127.576 -9.128 1
1 632 . 15 1 1 A 68 68 HIS H H 68 8.003 9.616 -1.613 1
1 633 . 15 1 1 A 68 68 HIS HA H 68 4.890 5.028 -0.138 1
1 637 . 15 1 1 A 68 68 HIS C C 68 174.161 174.241 -0.080 1
1 638 . 15 1 1 A 68 68 HIS CA C 68 52.180 54.018 -1.838 1
1 639 . 15 1 1 A 68 68 HIS CB C 68 31.877 33.512 -1.635 1
1 640 . 15 1 1 A 68 68 HIS N N 68 116.650 122.082 -5.432 1
1 641 . 15 1 1 A 69 69 THR H H 69 8.515 8.718 -0.203 1
1 642 . 15 1 1 A 69 69 THR HA H 69 4.808 4.240 0.568 1
1 647 . 15 1 1 A 69 69 THR C C 69 172.511 173.861 -1.350 1
1 648 . 15 1 1 A 69 69 THR CA C 69 60.130 62.963 -2.833 1
1 649 . 15 1 1 A 69 69 THR CB C 69 67.840 68.950 -1.110 1
1 651 . 15 1 1 A 69 69 THR N N 69 114.721 118.122 -3.401 1
1 652 . 15 1 1 A 70 70 CYS H H 70 7.731 9.706 -1.975 1
1 653 . 15 1 1 A 70 70 CYS HA H 70 4.786 5.330 -0.544 1
1 656 . 15 1 1 A 70 70 CYS C C 70 172.053 172.819 -0.766 1
1 657 . 15 1 1 A 70 70 CYS CA C 70 51.950 54.682 -2.732 1
1 658 . 15 1 1 A 70 70 CYS CB C 70 43.320 45.099 -1.779 1
1 659 . 15 1 1 A 70 70 CYS N N 70 117.575 126.204 -8.629 1
1 660 . 15 1 1 A 71 71 ASP H H 71 8.370 8.508 -0.138 1
1 661 . 15 1 1 A 71 71 ASP HA H 71 4.993 5.225 -0.232 1
1 664 . 15 1 1 A 71 71 ASP C C 71 169.692 175.020 -5.328 1
1 665 . 15 1 1 A 71 71 ASP CA C 71 48.815 51.591 -2.776 1
1 666 . 15 1 1 A 71 71 ASP CB C 71 40.118 42.080 -1.962 1
1 667 . 15 1 1 A 71 71 ASP N N 71 120.975 122.572 -1.597 1
1 668 . 15 1 1 A 72 72 PRO HA H 72 4.145 4.429 -0.284 1
1 675 . 15 1 1 A 72 72 PRO CA C 72 61.360 62.814 -1.454 1
1 676 . 15 1 1 A 72 72 PRO CB C 72 30.141 30.973 -0.832 1
1 679 . 15 1 1 A 73 73 ALA H H 73 8.169 8.079 0.090 1
1 680 . 15 1 1 A 73 73 ALA HA H 73 4.247 4.746 -0.499 1
1 684 . 15 1 1 A 73 73 ALA C C 73 174.353 175.442 -1.089 1
1 685 . 15 1 1 A 73 73 ALA CA C 73 50.370 51.791 -1.421 1
1 686 . 15 1 1 A 73 73 ALA CB C 73 17.230 21.185 -3.955 1
1 687 . 15 1 1 A 73 73 ALA N N 73 122.390 124.371 -1.981 1
1 688 . 15 1 1 A 74 74 THR H H 74 7.704 8.764 -1.060 1
1 689 . 15 1 1 A 74 74 THR C C 74 175.770 171.690 4.080 1
1 690 . 15 1 1 A 74 74 THR CA C 74 57.794 58.233 -0.439 1
1 691 . 15 1 1 A 74 74 THR CB C 74 67.994 72.549 -4.555 1
1 692 . 15 1 1 A 74 74 THR N N 74 114.834 116.233 -1.399 1
1 693 . 15 1 1 A 75 75 PRO HA H 75 4.386 4.603 -0.217 1
1 700 . 15 1 1 A 75 75 PRO CA C 75 61.440 62.819 -1.379 1
1 701 . 15 1 1 A 75 75 PRO CB C 75 30.088 31.323 -1.235 1
1 704 . 15 1 1 A 76 76 SER H H 76 8.209 8.660 -0.451 1
1 705 . 15 1 1 A 76 76 SER HA H 76 4.373 4.716 -0.343 1
1 708 . 15 1 1 A 76 76 SER C C 76 175.051 174.136 0.915 1
1 709 . 15 1 1 A 76 76 SER CA C 76 56.360 57.894 -1.534 1
1 710 . 15 1 1 A 76 76 SER CB C 76 61.939 61.374 0.565 1
1 711 . 15 1 1 A 76 76 SER N N 76 115.319 120.236 -4.917 1
1 712 . 15 1 1 A 77 77 GLY H H 77 8.124 8.341 -0.217 1
1 713 . 15 1 1 A 77 77 GLY HA2 H 77 4.093 4.160 -0.067 1
1 714 . 15 1 1 A 77 77 GLY HA3 H 77 3.577 4.380 -0.803 1
1 715 . 15 1 1 A 77 77 GLY C C 77 173.087 174.309 -1.222 1
1 716 . 15 1 1 A 77 77 GLY CA C 77 43.555 45.738 -2.183 1
1 717 . 15 1 1 A 77 77 GLY N N 77 110.791 113.272 -2.481 1
1 3 . 16 1 1 A 1 1 ALA HA H 5 4.015 4.441 -0.426 1
1 7 . 16 1 1 A 2 2 THR H H 6 7.608 8.584 -0.976 1
1 8 . 16 1 1 A 2 2 THR C C 2 174.815 173.831 0.984 1
1 9 . 16 1 1 A 2 2 THR CA C 2 56.801 63.084 -6.283 1
1 10 . 16 1 1 A 2 2 THR CB C 2 68.857 71.177 -2.320 1
1 11 . 16 1 1 A 2 2 THR N N 6 113.279 121.758 -8.479 1
1 12 . 16 1 1 A 5 5 PRO HA H 5 4.493 4.441 0.052 1
1 19 . 16 1 1 A 5 5 PRO CA C 5 61.290 62.908 -1.618 1
1 20 . 16 1 1 A 5 5 PRO CB C 5 30.190 31.985 -1.795 1
1 23 . 16 1 1 A 6 6 VAL H H 6 7.794 8.584 -0.790 1
1 24 . 16 1 1 A 6 6 VAL HA H 6 3.880 4.458 -0.578 1
1 32 . 16 1 1 A 6 6 VAL C C 6 175.059 176.525 -1.466 1
1 33 . 16 1 1 A 6 6 VAL CA C 6 59.560 63.638 -4.078 1
1 34 . 16 1 1 A 6 6 VAL CB C 6 30.680 31.657 -0.977 1
1 37 . 16 1 1 A 6 6 VAL N N 6 118.616 121.758 -3.142 1
1 38 . 16 1 1 A 7 7 ALA H H 7 8.029 8.523 -0.494 1
1 39 . 16 1 1 A 7 7 ALA HA H 7 4.167 4.199 -0.032 1
1 43 . 16 1 1 A 7 7 ALA C C 7 173.395 178.123 -4.728 1
1 44 . 16 1 1 A 7 7 ALA CA C 7 50.780 51.999 -1.219 1
1 45 . 16 1 1 A 7 7 ALA CB C 7 18.292 18.898 -0.606 1
1 46 . 16 1 1 A 7 7 ALA N N 7 126.653 128.910 -2.257 1
1 47 . 16 1 1 A 8 8 GLU H H 8 8.587 7.803 0.784 1
1 48 . 16 1 1 A 8 8 GLU HA H 8 4.085 3.724 0.361 1
1 53 . 16 1 1 A 8 8 GLU C C 8 176.717 177.162 -0.445 1
1 54 . 16 1 1 A 8 8 GLU CA C 8 56.520 59.010 -2.490 1
1 55 . 16 1 1 A 8 8 GLU CB C 8 27.393 27.179 0.214 1
1 57 . 16 1 1 A 8 8 GLU N N 8 118.049 112.153 5.896 1
1 58 . 16 1 1 A 9 9 CYS H H 9 7.348 8.350 -1.002 1
1 59 . 16 1 1 A 9 9 CYS HA H 9 4.422 4.561 -0.139 1
1 62 . 16 1 1 A 9 9 CYS C C 9 173.399 173.576 -0.177 1
1 63 . 16 1 1 A 9 9 CYS CA C 9 51.850 57.801 -5.951 1
1 64 . 16 1 1 A 9 9 CYS CB C 9 38.617 42.506 -3.889 1
1 65 . 16 1 1 A 9 9 CYS N N 9 109.798 117.917 -8.119 1
1 66 . 16 1 1 A 10 10 VAL H H 10 7.682 7.337 0.345 1
1 67 . 16 1 1 A 10 10 VAL HA H 10 4.483 4.634 -0.151 1
1 75 . 16 1 1 A 10 10 VAL C C 10 172.261 174.788 -2.527 1
1 76 . 16 1 1 A 10 10 VAL CA C 10 60.360 60.660 -0.300 1
1 77 . 16 1 1 A 10 10 VAL CB C 10 29.445 33.685 -4.240 1
1 80 . 16 1 1 A 10 10 VAL N N 10 125.088 119.798 5.290 1
1 81 . 16 1 1 A 11 11 GLU H H 11 8.322 8.629 -0.307 1
1 82 . 16 1 1 A 11 11 GLU HA H 11 4.644 4.691 -0.047 1
1 87 . 16 1 1 A 11 11 GLU C C 11 172.004 174.759 -2.755 1
1 88 . 16 1 1 A 11 11 GLU CA C 11 51.852 54.576 -2.724 1
1 89 . 16 1 1 A 11 11 GLU CB C 11 31.925 33.437 -1.512 1
1 91 . 16 1 1 A 11 11 GLU N N 11 124.099 126.810 -2.711 1
1 92 . 16 1 1 A 12 12 TYR H H 12 7.843 8.436 -0.593 1
1 93 . 16 1 1 A 12 12 TYR HA H 12 5.697 6.162 -0.465 1
1 100 . 16 1 1 A 12 12 TYR C C 12 172.281 174.071 -1.790 1
1 101 . 16 1 1 A 12 12 TYR CA C 12 53.160 55.869 -2.709 1
1 102 . 16 1 1 A 12 12 TYR CB C 12 40.610 40.990 -0.380 1
1 103 . 16 1 1 A 12 12 TYR N N 12 115.283 125.453 -10.170 1
1 104 . 16 1 1 A 13 13 PHE H H 13 9.057 8.826 0.231 1
1 105 . 16 1 1 A 13 13 PHE HA H 13 4.750 5.263 -0.513 1
1 106 . 16 1 1 A 13 13 PHE C C 13 170.766 173.667 -2.901 1
1 107 . 16 1 1 A 13 13 PHE CA C 13 54.815 56.944 -2.129 1
1 108 . 16 1 1 A 13 13 PHE CB C 13 39.947 43.534 -3.587 1
1 109 . 16 1 1 A 13 13 PHE N N 13 119.347 120.265 -0.918 1
1 110 . 16 1 1 A 14 14 GLN HA H 14 5.302 4.848 0.454 1
1 113 . 16 1 1 A 14 14 GLN CA C 14 53.700 54.704 -1.004 1
1 114 . 16 1 1 A 14 14 GLN CB C 14 30.685 29.012 1.673 1
1 115 . 16 1 1 A 15 15 SER H H 15 8.657 9.252 -0.595 1
1 116 . 16 1 1 A 15 15 SER HA H 15 4.715 4.936 -0.221 1
1 117 . 16 1 1 A 15 15 SER C C 15 172.296 174.399 -2.103 1
1 118 . 16 1 1 A 15 15 SER CA C 15 54.708 57.225 -2.517 1
1 119 . 16 1 1 A 15 15 SER CB C 15 64.456 61.273 3.183 1
1 120 . 16 1 1 A 15 15 SER N N 15 119.667 121.042 -1.375 1
1 121 . 16 1 1 A 17 17 ARG HA H 17 3.413 4.267 -0.854 1
1 124 . 16 1 1 A 17 17 ARG CA C 17 55.648 55.035 0.613 1
1 125 . 16 1 1 A 17 17 ARG CB C 17 29.496 30.544 -1.048 1
1 126 . 16 1 1 A 18 18 TYR H H 18 6.870 7.777 -0.907 1
1 127 . 16 1 1 A 18 18 TYR HA H 18 5.233 5.006 0.227 1
1 134 . 16 1 1 A 18 18 TYR C C 18 174.107 174.306 -0.199 1
1 135 . 16 1 1 A 18 18 TYR CA C 18 54.231 58.166 -3.935 1
1 136 . 16 1 1 A 18 18 TYR CB C 18 40.725 40.415 0.310 1
1 137 . 16 1 1 A 18 18 TYR N N 18 114.525 123.671 -9.146 1
1 138 . 16 1 1 A 19 19 THR H H 19 8.684 9.081 -0.397 1
1 139 . 16 1 1 A 19 19 THR HA H 19 5.061 5.158 -0.097 1
1 144 . 16 1 1 A 19 19 THR C C 19 173.054 173.350 -0.296 1
1 145 . 16 1 1 A 19 19 THR CA C 19 60.704 62.702 -1.998 1
1 146 . 16 1 1 A 19 19 THR CB C 19 67.997 68.393 -0.396 1
1 148 . 16 1 1 A 19 19 THR N N 19 119.368 124.354 -4.986 1
1 149 . 16 1 1 A 20 20 ASP H H 20 8.975 8.668 0.307 1
1 150 . 16 1 1 A 20 20 ASP HA H 20 5.690 4.853 0.837 1
1 153 . 16 1 1 A 20 20 ASP C C 20 171.832 174.452 -2.620 1
1 154 . 16 1 1 A 20 20 ASP CA C 20 52.039 52.554 -0.515 1
1 155 . 16 1 1 A 20 20 ASP CB C 20 42.292 40.578 1.714 1
1 156 . 16 1 1 A 20 20 ASP N N 20 128.307 126.942 1.365 1
1 157 . 16 1 1 A 21 21 VAL H H 21 9.496 8.299 1.197 1
1 158 . 16 1 1 A 21 21 VAL HA H 21 4.775 4.764 0.011 1
1 166 . 16 1 1 A 21 21 VAL C C 21 173.611 174.578 -0.967 1
1 167 . 16 1 1 A 21 21 VAL CA C 21 59.478 61.219 -1.741 1
1 168 . 16 1 1 A 21 21 VAL CB C 21 32.243 33.264 -1.021 1
1 171 . 16 1 1 A 21 21 VAL N N 21 123.356 125.827 -2.471 1
1 172 . 16 1 1 A 22 22 HIS H H 22 8.973 8.502 0.471 1
1 173 . 16 1 1 A 22 22 HIS HA H 22 4.622 5.877 -1.255 1
1 177 . 16 1 1 A 22 22 HIS C C 22 171.626 173.827 -2.201 1
1 178 . 16 1 1 A 22 22 HIS CA C 22 49.980 54.612 -4.632 1
1 179 . 16 1 1 A 22 22 HIS CB C 22 28.390 31.379 -2.989 1
1 180 . 16 1 1 A 22 22 HIS N N 22 124.534 126.986 -2.452 1
1 181 . 16 1 1 A 23 23 ASN H H 23 8.317 9.221 -0.904 1
1 182 . 16 1 1 A 23 23 ASN HA H 23 4.517 4.975 -0.458 1
1 185 . 16 1 1 A 23 23 ASN C C 23 171.836 176.330 -4.494 1
1 186 . 16 1 1 A 23 23 ASN CA C 23 49.380 53.524 -4.144 1
1 187 . 16 1 1 A 23 23 ASN CB C 23 36.018 39.912 -3.894 1
1 188 . 16 1 1 A 23 23 ASN N N 23 123.095 124.279 -1.184 1
1 189 . 16 1 1 A 24 24 GLY H H 24 7.602 8.791 -1.189 1
1 190 . 16 1 1 A 24 24 GLY HA2 H 24 4.051 4.181 -0.130 1
1 191 . 16 1 1 A 24 24 GLY HA3 H 24 3.381 4.182 -0.801 1
1 192 . 16 1 1 A 24 24 GLY C C 24 171.684 174.227 -2.543 1
1 193 . 16 1 1 A 24 24 GLY CA C 24 42.936 45.651 -2.715 1
1 194 . 16 1 1 A 24 24 GLY N N 24 113.217 110.903 2.314 1
1 195 . 16 1 1 A 25 25 CYS H H 25 8.145 7.828 0.317 1
1 196 . 16 1 1 A 25 25 CYS HA H 25 4.544 4.715 -0.171 1
1 199 . 16 1 1 A 25 25 CYS C C 25 172.305 173.891 -1.586 1
1 200 . 16 1 1 A 25 25 CYS CA C 25 50.790 55.739 -4.949 1
1 201 . 16 1 1 A 25 25 CYS CB C 25 39.528 44.048 -4.520 1
1 202 . 16 1 1 A 25 25 CYS N N 25 119.843 118.325 1.518 1
1 203 . 16 1 1 A 26 26 ALA H H 26 8.111 8.691 -0.580 1
1 204 . 16 1 1 A 26 26 ALA HA H 26 4.084 4.260 -0.176 1
1 208 . 16 1 1 A 26 26 ALA C C 26 172.481 176.846 -4.365 1
1 209 . 16 1 1 A 26 26 ALA CA C 26 50.950 53.503 -2.553 1
1 210 . 16 1 1 A 26 26 ALA CB C 26 17.251 19.635 -2.384 1
1 211 . 16 1 1 A 26 26 ALA N N 26 119.852 124.548 -4.696 1
1 212 . 16 1 1 A 27 27 ASP H H 27 6.938 7.702 -0.764 1
1 213 . 16 1 1 A 27 27 ASP HA H 27 4.787 5.213 -0.426 1
1 216 . 16 1 1 A 27 27 ASP C C 27 174.263 175.079 -0.816 1
1 217 . 16 1 1 A 27 27 ASP CA C 27 49.550 52.272 -2.722 1
1 218 . 16 1 1 A 27 27 ASP CB C 27 42.250 43.724 -1.474 1
1 219 . 16 1 1 A 27 27 ASP N N 27 113.761 116.722 -2.961 1
1 220 . 16 1 1 A 28 28 ALA H H 28 8.454 8.438 0.016 1
1 221 . 16 1 1 A 28 28 ALA HA H 28 3.986 4.952 -0.966 1
1 225 . 16 1 1 A 28 28 ALA C C 28 173.188 177.675 -4.487 1
1 226 . 16 1 1 A 28 28 ALA CA C 28 50.550 52.205 -1.655 1
1 227 . 16 1 1 A 28 28 ALA CB C 28 16.820 18.942 -2.122 1
1 228 . 16 1 1 A 28 28 ALA N N 28 121.635 123.892 -2.257 1
1 229 . 16 1 1 A 29 29 VAL H H 29 7.742 8.926 -1.184 1
1 230 . 16 1 1 A 29 29 VAL HA H 29 4.553 4.868 -0.315 1
1 238 . 16 1 1 A 29 29 VAL C C 29 174.826 174.446 0.380 1
1 239 . 16 1 1 A 29 29 VAL CA C 29 57.140 59.517 -2.377 1
1 240 . 16 1 1 A 29 29 VAL CB C 29 33.000 34.722 -1.722 1
1 243 . 16 1 1 A 29 29 VAL N N 29 113.732 119.199 -5.467 1
1 244 . 16 1 1 A 30 30 SER H H 30 8.101 8.866 -0.765 1
1 245 . 16 1 1 A 30 30 SER HA H 30 5.338 5.053 0.285 1
1 248 . 16 1 1 A 30 30 SER C C 30 171.613 174.354 -2.741 1
1 249 . 16 1 1 A 30 30 SER CA C 30 54.310 58.333 -4.023 1
1 250 . 16 1 1 A 30 30 SER CB C 30 62.237 63.928 -1.691 1
1 251 . 16 1 1 A 30 30 SER N N 30 118.729 121.854 -3.125 1
1 252 . 16 1 1 A 31 31 VAL H H 31 8.780 9.772 -0.992 1
1 253 . 16 1 1 A 31 31 VAL HA H 31 5.146 5.042 0.104 1
1 261 . 16 1 1 A 31 31 VAL C C 31 172.831 174.222 -1.391 1
1 262 . 16 1 1 A 31 31 VAL CA C 31 56.940 59.280 -2.340 1
1 263 . 16 1 1 A 31 31 VAL CB C 31 35.030 34.886 0.144 1
1 266 . 16 1 1 A 31 31 VAL N N 31 119.018 120.287 -1.269 1
1 267 . 16 1 1 A 32 32 THR H H 32 8.366 9.488 -1.122 1
1 268 . 16 1 1 A 32 32 THR HA H 32 4.498 5.021 -0.523 1
1 273 . 16 1 1 A 32 32 THR C C 32 171.480 172.468 -0.988 1
1 274 . 16 1 1 A 32 32 THR CA C 32 57.100 59.524 -2.424 1
1 275 . 16 1 1 A 32 32 THR CB C 32 67.767 72.174 -4.407 1
1 277 . 16 1 1 A 32 32 THR N N 32 115.885 117.570 -1.685 1
1 278 . 16 1 1 A 33 33 VAL H H 33 6.720 8.517 -1.797 1
1 279 . 16 1 1 A 33 33 VAL HA H 33 3.950 4.968 -1.018 1
1 287 . 16 1 1 A 33 33 VAL C C 33 169.808 173.352 -3.544 1
1 288 . 16 1 1 A 33 33 VAL CA C 33 57.990 59.407 -1.417 1
1 289 . 16 1 1 A 33 33 VAL CB C 33 32.331 34.284 -1.953 1
1 292 . 16 1 1 A 33 33 VAL N N 33 119.716 119.979 -0.263 1
1 293 . 16 1 1 A 34 34 GLU H H 34 7.670 9.287 -1.617 1
1 294 . 16 1 1 A 34 34 GLU HA H 34 4.187 4.551 -0.364 1
1 297 . 16 1 1 A 34 34 GLU C C 34 171.032 175.063 -4.031 1
1 298 . 16 1 1 A 34 34 GLU CA C 34 51.930 54.328 -2.398 1
1 299 . 16 1 1 A 34 34 GLU CB C 34 29.430 30.958 -1.528 1
1 300 . 16 1 1 A 34 34 GLU N N 34 123.182 125.266 -2.084 1
1 301 . 16 1 1 A 35 35 TYR H H 35 8.500 8.777 -0.277 1
1 302 . 16 1 1 A 35 35 TYR HA H 35 4.646 4.781 -0.135 1
1 309 . 16 1 1 A 35 35 TYR C C 35 172.817 177.249 -4.432 1
1 310 . 16 1 1 A 35 35 TYR CA C 35 55.880 58.102 -2.222 1
1 311 . 16 1 1 A 35 35 TYR CB C 35 38.300 40.271 -1.971 1
1 312 . 16 1 1 A 35 35 TYR N N 35 122.953 125.829 -2.876 1
1 313 . 16 1 1 A 36 36 THR H H 36 8.295 9.395 -1.100 1
1 314 . 16 1 1 A 36 36 THR HA H 36 3.731 3.944 -0.213 1
1 319 . 16 1 1 A 36 36 THR C C 36 175.873 175.351 0.522 1
1 320 . 16 1 1 A 36 36 THR CA C 36 65.169 66.643 -1.474 1
1 321 . 16 1 1 A 36 36 THR CB C 36 67.700 68.520 -0.820 1
1 323 . 16 1 1 A 36 36 THR N N 36 119.739 117.143 2.596 1
1 324 . 16 1 1 A 37 37 HIS H H 37 8.755 7.664 1.091 1
1 325 . 16 1 1 A 37 37 HIS HA H 37 4.807 4.630 0.177 1
1 329 . 16 1 1 A 37 37 HIS C C 37 173.381 176.366 -2.985 1
1 330 . 16 1 1 A 37 37 HIS CA C 37 53.412 57.721 -4.309 1
1 331 . 16 1 1 A 37 37 HIS CB C 37 27.137 30.714 -3.577 1
1 332 . 16 1 1 A 37 37 HIS N N 37 115.916 116.341 -0.425 1
1 333 . 16 1 1 A 38 38 GLY H H 38 7.856 7.551 0.305 1
1 334 . 16 1 1 A 38 38 GLY HA2 H 38 4.091 4.135 -0.044 1
1 335 . 16 1 1 A 38 38 GLY HA3 H 38 3.795 4.192 -0.397 1
1 336 . 16 1 1 A 38 38 GLY C C 38 174.479 174.254 0.225 1
1 337 . 16 1 1 A 38 38 GLY CA C 38 43.935 45.379 -1.444 1
1 338 . 16 1 1 A 38 38 GLY N N 38 106.387 103.917 2.470 1
1 339 . 16 1 1 A 39 39 GLN H H 39 8.096 7.582 0.514 1
1 340 . 16 1 1 A 39 39 GLN HA H 39 4.239 4.299 -0.060 1
1 345 . 16 1 1 A 39 39 GLN C C 39 171.748 175.767 -4.019 1
1 346 . 16 1 1 A 39 39 GLN CA C 39 55.050 56.316 -1.266 1
1 347 . 16 1 1 A 39 39 GLN CB C 39 26.580 29.120 -2.540 1
1 349 . 16 1 1 A 39 39 GLN N N 39 119.846 118.913 0.933 1
1 350 . 16 1 1 A 40 40 TRP H H 40 8.286 8.710 -0.424 1
1 351 . 16 1 1 A 40 40 TRP HA H 40 4.961 4.682 0.279 1
1 358 . 16 1 1 A 40 40 TRP C C 40 172.966 176.031 -3.065 1
1 359 . 16 1 1 A 40 40 TRP CA C 40 55.210 57.589 -2.379 1
1 360 . 16 1 1 A 40 40 TRP CB C 40 28.161 29.273 -1.112 1
1 361 . 16 1 1 A 40 40 TRP N N 40 121.182 125.985 -4.803 1
1 363 . 16 1 1 A 41 41 ALA H H 41 7.947 8.562 -0.615 1
1 364 . 16 1 1 A 41 41 ALA HA H 41 4.641 4.207 0.434 1
1 368 . 16 1 1 A 41 41 ALA C C 41 174.070 177.458 -3.388 1
1 369 . 16 1 1 A 41 41 ALA CA C 41 47.995 53.079 -5.084 1
1 370 . 16 1 1 A 41 41 ALA CB C 41 18.627 21.121 -2.494 1
1 371 . 16 1 1 A 41 41 ALA N N 41 126.752 129.314 -2.562 1
1 372 . 16 1 1 A 42 42 PRO HA H 42 4.240 4.114 0.126 1
1 377 . 16 1 1 A 42 42 PRO CA C 42 60.853 62.420 -1.567 1
1 378 . 16 1 1 A 42 42 PRO CB C 42 30.203 29.255 0.948 1
1 379 . 16 1 1 A 43 43 CYS H H 43 8.229 8.756 -0.527 1
1 380 . 16 1 1 A 43 43 CYS HA H 43 4.643 5.170 -0.527 1
1 383 . 16 1 1 A 43 43 CYS C C 43 173.099 172.055 1.044 1
1 384 . 16 1 1 A 43 43 CYS CA C 43 53.574 56.108 -2.534 1
1 385 . 16 1 1 A 43 43 CYS CB C 43 39.464 44.745 -5.281 1
1 386 . 16 1 1 A 43 43 CYS N N 43 119.646 121.420 -1.774 1
1 387 . 16 1 1 A 44 44 ARG H H 44 8.931 9.581 -0.650 1
1 388 . 16 1 1 A 44 44 ARG HA H 44 4.653 4.981 -0.328 1
1 395 . 16 1 1 A 44 44 ARG C C 44 172.821 174.833 -2.012 1
1 396 . 16 1 1 A 44 44 ARG CA C 44 51.850 54.379 -2.529 1
1 397 . 16 1 1 A 44 44 ARG CB C 44 30.892 33.867 -2.975 1
1 400 . 16 1 1 A 44 44 ARG N N 44 128.546 127.870 0.676 1
1 401 . 16 1 1 A 45 45 VAL H H 45 8.242 8.619 -0.377 1
1 402 . 16 1 1 A 45 45 VAL HA H 45 4.625 4.608 0.017 1
1 410 . 16 1 1 A 45 45 VAL C C 45 172.339 175.293 -2.954 1
1 411 . 16 1 1 A 45 45 VAL CA C 45 59.800 62.457 -2.657 1
1 412 . 16 1 1 A 45 45 VAL CB C 45 29.914 32.923 -3.009 1
1 415 . 16 1 1 A 45 45 VAL N N 45 123.347 126.167 -2.820 1
1 416 . 16 1 1 A 46 46 ILE H H 46 9.161 9.354 -0.193 1
1 417 . 16 1 1 A 46 46 ILE HA H 46 4.241 4.618 -0.377 1
1 427 . 16 1 1 A 46 46 ILE C C 46 174.656 175.654 -0.998 1
1 428 . 16 1 1 A 46 46 ILE CA C 46 58.660 60.209 -1.549 1
1 429 . 16 1 1 A 46 46 ILE CB C 46 37.551 39.740 -2.189 1
1 432 . 16 1 1 A 46 46 ILE N N 46 128.086 129.247 -1.161 1
1 433 . 16 1 1 A 47 47 GLU H H 47 9.214 8.680 0.534 1
1 434 . 16 1 1 A 47 47 GLU HA H 47 4.182 4.755 -0.573 1
1 439 . 16 1 1 A 47 47 GLU C C 47 174.413 174.749 -0.336 1
1 440 . 16 1 1 A 47 47 GLU CA C 47 53.820 53.944 -0.124 1
1 441 . 16 1 1 A 47 47 GLU CB C 47 25.600 29.583 -3.983 1
1 443 . 16 1 1 A 47 47 GLU N N 47 129.614 125.723 3.891 1
1 444 . 16 1 1 A 48 48 PRO HA H 48 3.872 4.619 -0.747 1
1 451 . 16 1 1 A 48 48 PRO CA C 48 62.770 63.844 -1.074 1
1 452 . 16 1 1 A 48 48 PRO CB C 48 29.241 31.357 -2.116 1
1 455 . 16 1 1 A 49 49 GLY H H 49 8.330 8.670 -0.340 1
1 456 . 16 1 1 A 49 49 GLY HA2 H 49 4.140 3.942 0.198 1
1 457 . 16 1 1 A 49 49 GLY HA3 H 49 3.702 3.980 -0.278 1
1 458 . 16 1 1 A 49 49 GLY C C 49 176.101 174.400 1.701 1
1 459 . 16 1 1 A 49 49 GLY CA C 49 43.930 45.370 -1.440 1
1 460 . 16 1 1 A 49 49 GLY N N 49 115.617 113.093 2.524 1
1 461 . 16 1 1 A 50 50 GLY H H 50 8.496 8.761 -0.265 1
1 462 . 16 1 1 A 50 50 GLY HA2 H 50 4.374 4.095 0.279 1
1 463 . 16 1 1 A 50 50 GLY HA3 H 50 3.614 4.122 -0.508 1
1 464 . 16 1 1 A 50 50 GLY C C 50 172.758 173.796 -1.038 1
1 465 . 16 1 1 A 50 50 GLY CA C 50 42.550 44.160 -1.610 1
1 466 . 16 1 1 A 50 50 GLY N N 50 108.129 108.110 0.019 1
1 467 . 16 1 1 A 51 51 TRP H H 51 8.184 8.675 -0.491 1
1 468 . 16 1 1 A 51 51 TRP HA H 51 5.778 6.494 -0.716 1
1 475 . 16 1 1 A 51 51 TRP C C 51 170.134 175.483 -5.349 1
1 476 . 16 1 1 A 51 51 TRP CA C 51 53.820 55.863 -2.043 1
1 477 . 16 1 1 A 51 51 TRP CB C 51 30.930 34.024 -3.094 1
1 478 . 16 1 1 A 51 51 TRP N N 51 117.328 120.210 -2.882 1
1 480 . 16 1 1 A 52 52 ALA H H 52 9.354 8.958 0.396 1
1 481 . 16 1 1 A 52 52 ALA HA H 52 4.654 4.947 -0.293 1
1 485 . 16 1 1 A 52 52 ALA C C 52 174.350 175.413 -1.063 1
1 486 . 16 1 1 A 52 52 ALA CA C 52 49.250 50.920 -1.670 1
1 487 . 16 1 1 A 52 52 ALA CB C 52 20.971 21.342 -0.371 1
1 488 . 16 1 1 A 52 52 ALA N N 52 122.785 123.027 -0.242 1
1 489 . 16 1 1 A 53 53 THR H H 53 8.059 8.449 -0.390 1
1 490 . 16 1 1 A 53 53 THR HA H 53 5.251 4.526 0.725 1
1 495 . 16 1 1 A 53 53 THR C C 53 173.703 173.570 0.133 1
1 496 . 16 1 1 A 53 53 THR CA C 53 60.321 62.394 -2.073 1
1 497 . 16 1 1 A 53 53 THR CB C 53 69.150 69.232 -0.082 1
1 499 . 16 1 1 A 53 53 THR N N 53 115.813 117.967 -2.154 1
1 500 . 16 1 1 A 54 54 PHE H H 54 9.370 8.355 1.015 1
1 501 . 16 1 1 A 54 54 PHE HA H 54 4.827 4.911 -0.084 1
1 508 . 16 1 1 A 54 54 PHE C C 54 171.593 174.944 -3.351 1
1 509 . 16 1 1 A 54 54 PHE CA C 54 53.813 56.520 -2.707 1
1 510 . 16 1 1 A 54 54 PHE CB C 54 40.556 42.983 -2.427 1
1 511 . 16 1 1 A 54 54 PHE N N 54 125.684 124.345 1.339 1
1 512 . 16 1 1 A 55 55 ALA H H 55 8.706 8.641 0.065 1
1 513 . 16 1 1 A 55 55 ALA HA H 55 4.362 4.303 0.059 1
1 517 . 16 1 1 A 55 55 ALA C C 55 173.468 177.839 -4.371 1
1 518 . 16 1 1 A 55 55 ALA CA C 55 52.010 52.172 -0.162 1
1 519 . 16 1 1 A 55 55 ALA CB C 55 16.740 18.640 -1.900 1
1 520 . 16 1 1 A 55 55 ALA N N 55 124.175 125.929 -1.754 1
1 521 . 16 1 1 A 56 56 GLY H H 56 7.517 8.712 -1.195 1
1 522 . 16 1 1 A 56 56 GLY HA2 H 56 4.252 4.099 0.153 1
1 523 . 16 1 1 A 56 56 GLY HA3 H 56 3.339 4.130 -0.791 1
1 524 . 16 1 1 A 56 56 GLY C C 56 178.583 173.125 5.458 1
1 525 . 16 1 1 A 56 56 GLY CA C 56 42.282 44.402 -2.120 1
1 526 . 16 1 1 A 56 56 GLY N N 56 110.256 110.567 -0.311 1
1 527 . 16 1 1 A 57 57 TYR H H 57 7.154 8.587 -1.433 1
1 528 . 16 1 1 A 57 57 TYR HA H 57 4.516 5.346 -0.830 1
1 535 . 16 1 1 A 57 57 TYR C C 57 170.587 175.226 -4.639 1
1 536 . 16 1 1 A 57 57 TYR CA C 57 55.130 56.854 -1.724 1
1 537 . 16 1 1 A 57 57 TYR CB C 57 36.127 38.124 -1.997 1
1 538 . 16 1 1 A 57 57 TYR N N 57 113.618 117.903 -4.285 1
1 539 . 16 1 1 A 58 58 GLY H H 58 8.498 8.029 0.469 1
1 540 . 16 1 1 A 58 58 GLY HA2 H 58 3.946 3.341 0.605 1
1 541 . 16 1 1 A 58 58 GLY HA3 H 58 3.420 3.479 -0.059 1
1 542 . 16 1 1 A 58 58 GLY C C 58 175.193 173.870 1.323 1
1 543 . 16 1 1 A 58 58 GLY CA C 58 43.806 45.474 -1.668 1
1 544 . 16 1 1 A 58 58 GLY N N 58 109.549 110.142 -0.593 1
1 545 . 16 1 1 A 59 59 THR H H 59 8.301 8.087 0.214 1
1 546 . 16 1 1 A 59 59 THR HA H 59 4.277 4.314 -0.037 1
1 547 . 16 1 1 A 59 59 THR C C 59 172.318 174.375 -2.057 1
1 548 . 16 1 1 A 59 59 THR CA C 59 60.637 62.524 -1.887 1
1 549 . 16 1 1 A 59 59 THR CB C 59 67.412 68.197 -0.785 1
1 550 . 16 1 1 A 59 59 THR N N 59 111.031 115.018 -3.987 1
1 551 . 16 1 1 A 60 60 ASP H H 60 8.414 9.369 -0.955 1
1 552 . 16 1 1 A 60 60 ASP HA H 60 4.679 4.336 0.343 1
1 555 . 16 1 1 A 60 60 ASP C C 60 173.345 176.546 -3.201 1
1 556 . 16 1 1 A 60 60 ASP CA C 60 51.030 55.355 -4.325 1
1 557 . 16 1 1 A 60 60 ASP CB C 60 38.608 39.167 -0.559 1
1 558 . 16 1 1 A 60 60 ASP N N 60 120.007 128.015 -8.008 1
1 559 . 16 1 1 A 61 61 GLY H H 61 7.967 8.428 -0.461 1
1 560 . 16 1 1 A 61 61 GLY HA2 H 61 3.550 3.975 -0.425 1
1 561 . 16 1 1 A 61 61 GLY HA3 H 61 2.879 4.025 -1.146 1
1 562 . 16 1 1 A 61 61 GLY C C 61 175.339 175.168 0.171 1
1 563 . 16 1 1 A 61 61 GLY CA C 61 44.956 47.075 -2.119 1
1 564 . 16 1 1 A 61 61 GLY N N 61 108.692 105.296 3.396 1
1 565 . 16 1 1 A 62 62 ASN H H 62 8.507 8.595 -0.088 1
1 566 . 16 1 1 A 62 62 ASN HA H 62 4.455 4.612 -0.157 1
1 571 . 16 1 1 A 62 62 ASN C C 62 172.217 174.106 -1.889 1
1 572 . 16 1 1 A 62 62 ASN CA C 62 48.627 54.750 -6.123 1
1 573 . 16 1 1 A 62 62 ASN CB C 62 34.339 37.007 -2.668 1
1 574 . 16 1 1 A 62 62 ASN N N 62 120.625 119.407 1.218 1
1 576 . 16 1 1 A 63 63 TYR H H 63 6.994 8.114 -1.120 1
1 577 . 16 1 1 A 63 63 TYR HA H 63 4.477 4.418 0.059 1
1 580 . 16 1 1 A 63 63 TYR C C 63 172.042 174.801 -2.759 1
1 581 . 16 1 1 A 63 63 TYR CA C 63 56.210 58.509 -2.299 1
1 582 . 16 1 1 A 63 63 TYR CB C 63 36.755 38.513 -1.758 1
1 583 . 16 1 1 A 63 63 TYR N N 63 116.333 119.750 -3.417 1
1 584 . 16 1 1 A 64 64 VAL H H 64 8.841 8.326 0.515 1
1 585 . 16 1 1 A 64 64 VAL HA H 64 3.689 3.815 -0.126 1
1 593 . 16 1 1 A 64 64 VAL C C 64 175.531 174.974 0.557 1
1 594 . 16 1 1 A 64 64 VAL CA C 64 61.550 62.877 -1.327 1
1 595 . 16 1 1 A 64 64 VAL CB C 64 30.583 31.793 -1.210 1
1 598 . 16 1 1 A 64 64 VAL N N 64 123.889 126.902 -3.013 1
1 599 . 16 1 1 A 65 65 THR H H 65 8.850 8.885 -0.035 1
1 600 . 16 1 1 A 65 65 THR HA H 65 4.210 4.333 -0.123 1
1 605 . 16 1 1 A 65 65 THR C C 65 175.388 173.605 1.783 1
1 606 . 16 1 1 A 65 65 THR CA C 65 60.109 61.378 -1.269 1
1 607 . 16 1 1 A 65 65 THR CB C 65 66.710 70.632 -3.922 1
1 609 . 16 1 1 A 65 65 THR N N 65 119.739 121.135 -1.396 1
1 610 . 16 1 1 A 66 66 GLY H H 66 6.907 7.122 -0.215 1
1 611 . 16 1 1 A 66 66 GLY HA2 H 66 3.769 4.156 -0.387 1
1 612 . 16 1 1 A 66 66 GLY HA3 H 66 3.583 4.181 -0.598 1
1 613 . 16 1 1 A 66 66 GLY C C 66 173.131 171.854 1.277 1
1 614 . 16 1 1 A 66 66 GLY CA C 66 42.950 45.156 -2.206 1
1 615 . 16 1 1 A 66 66 GLY N N 66 108.712 109.789 -1.077 1
1 616 . 16 1 1 A 67 67 LEU H H 67 7.723 8.856 -1.133 1
1 617 . 16 1 1 A 67 67 LEU HA H 67 4.628 4.943 -0.315 1
1 626 . 16 1 1 A 67 67 LEU C C 67 167.522 176.048 -8.526 1
1 627 . 16 1 1 A 67 67 LEU CA C 67 51.200 54.732 -3.532 1
1 628 . 16 1 1 A 67 67 LEU CB C 67 42.747 42.573 0.174 1
1 631 . 16 1 1 A 67 67 LEU N N 67 118.448 127.479 -9.031 1
1 632 . 16 1 1 A 68 68 HIS H H 68 8.003 9.683 -1.680 1
1 633 . 16 1 1 A 68 68 HIS HA H 68 4.890 4.989 -0.099 1
1 637 . 16 1 1 A 68 68 HIS C C 68 174.161 173.987 0.174 1
1 638 . 16 1 1 A 68 68 HIS CA C 68 52.180 54.107 -1.927 1
1 639 . 16 1 1 A 68 68 HIS CB C 68 31.877 33.327 -1.450 1
1 640 . 16 1 1 A 68 68 HIS N N 68 116.650 121.398 -4.748 1
1 641 . 16 1 1 A 69 69 THR H H 69 8.515 8.687 -0.172 1
1 642 . 16 1 1 A 69 69 THR HA H 69 4.808 4.396 0.412 1
1 647 . 16 1 1 A 69 69 THR C C 69 172.511 173.987 -1.476 1
1 648 . 16 1 1 A 69 69 THR CA C 69 60.130 62.779 -2.649 1
1 649 . 16 1 1 A 69 69 THR CB C 69 67.840 69.402 -1.562 1
1 651 . 16 1 1 A 69 69 THR N N 69 114.721 117.706 -2.985 1
1 652 . 16 1 1 A 70 70 CYS H H 70 7.731 9.816 -2.085 1
1 653 . 16 1 1 A 70 70 CYS HA H 70 4.786 4.994 -0.208 1
1 656 . 16 1 1 A 70 70 CYS C C 70 172.053 172.779 -0.726 1
1 657 . 16 1 1 A 70 70 CYS CA C 70 51.950 55.104 -3.154 1
1 658 . 16 1 1 A 70 70 CYS CB C 70 43.320 44.855 -1.535 1
1 659 . 16 1 1 A 70 70 CYS N N 70 117.575 126.453 -8.878 1
1 660 . 16 1 1 A 71 71 ASP H H 71 8.370 8.970 -0.600 1
1 661 . 16 1 1 A 71 71 ASP HA H 71 4.993 5.226 -0.233 1
1 664 . 16 1 1 A 71 71 ASP C C 71 169.692 174.092 -4.400 1
1 665 . 16 1 1 A 71 71 ASP CA C 71 48.815 51.288 -2.473 1
1 666 . 16 1 1 A 71 71 ASP CB C 71 40.118 43.416 -3.298 1
1 667 . 16 1 1 A 71 71 ASP N N 71 120.975 121.124 -0.149 1
1 668 . 16 1 1 A 72 72 PRO HA H 72 4.145 4.417 -0.272 1
1 675 . 16 1 1 A 72 72 PRO CA C 72 61.360 62.973 -1.613 1
1 676 . 16 1 1 A 72 72 PRO CB C 72 30.141 30.954 -0.813 1
1 679 . 16 1 1 A 73 73 ALA H H 73 8.169 8.107 0.062 1
1 680 . 16 1 1 A 73 73 ALA HA H 73 4.247 4.548 -0.301 1
1 684 . 16 1 1 A 73 73 ALA C C 73 174.353 176.131 -1.778 1
1 685 . 16 1 1 A 73 73 ALA CA C 73 50.370 51.643 -1.273 1
1 686 . 16 1 1 A 73 73 ALA CB C 73 17.230 18.931 -1.701 1
1 687 . 16 1 1 A 73 73 ALA N N 73 122.390 125.484 -3.094 1
1 688 . 16 1 1 A 74 74 THR H H 74 7.704 8.532 -0.828 1
1 689 . 16 1 1 A 74 74 THR C C 74 175.770 173.025 2.745 1
1 690 . 16 1 1 A 74 74 THR CA C 74 57.794 60.918 -3.124 1
1 691 . 16 1 1 A 74 74 THR CB C 74 67.994 69.468 -1.474 1
1 692 . 16 1 1 A 74 74 THR N N 74 114.834 116.100 -1.266 1
1 693 . 16 1 1 A 75 75 PRO HA H 75 4.386 4.438 -0.052 1
1 700 . 16 1 1 A 75 75 PRO CA C 75 61.440 63.294 -1.854 1
1 701 . 16 1 1 A 75 75 PRO CB C 75 30.088 31.745 -1.657 1
1 704 . 16 1 1 A 76 76 SER H H 76 8.209 9.026 -0.817 1
1 705 . 16 1 1 A 76 76 SER HA H 76 4.373 4.948 -0.575 1
1 708 . 16 1 1 A 76 76 SER C C 76 175.051 175.215 -0.164 1
1 709 . 16 1 1 A 76 76 SER CA C 76 56.360 58.574 -2.214 1
1 710 . 16 1 1 A 76 76 SER CB C 76 61.939 66.013 -4.074 1
1 711 . 16 1 1 A 76 76 SER N N 76 115.319 118.337 -3.018 1
1 712 . 16 1 1 A 77 77 GLY H H 77 8.124 8.362 -0.238 1
1 713 . 16 1 1 A 77 77 GLY HA2 H 77 4.093 3.934 0.159 1
1 714 . 16 1 1 A 77 77 GLY HA3 H 77 3.577 3.979 -0.402 1
1 715 . 16 1 1 A 77 77 GLY C C 77 173.087 174.834 -1.747 1
1 716 . 16 1 1 A 77 77 GLY CA C 77 43.555 46.183 -2.628 1
1 717 . 16 1 1 A 77 77 GLY N N 77 110.791 109.259 1.532 1
1 3 . 17 1 1 A 1 1 ALA HA H 5 4.015 4.337 -0.322 1
1 7 . 17 1 1 A 2 2 THR H H 6 7.608 7.681 -0.073 1
1 8 . 17 1 1 A 2 2 THR C C 2 174.815 174.293 0.522 1
1 9 . 17 1 1 A 2 2 THR CA C 2 56.801 63.799 -6.998 1
1 10 . 17 1 1 A 2 2 THR CB C 2 68.857 69.078 -0.221 1
1 11 . 17 1 1 A 2 2 THR N N 6 113.279 116.066 -2.787 1
1 12 . 17 1 1 A 5 5 PRO HA H 5 4.493 4.337 0.156 1
1 19 . 17 1 1 A 5 5 PRO CA C 5 61.290 64.414 -3.124 1
1 20 . 17 1 1 A 5 5 PRO CB C 5 30.190 31.974 -1.784 1
1 23 . 17 1 1 A 6 6 VAL H H 6 7.794 7.681 0.113 1
1 24 . 17 1 1 A 6 6 VAL HA H 6 3.880 4.225 -0.345 1
1 32 . 17 1 1 A 6 6 VAL C C 6 175.059 174.961 0.098 1
1 33 . 17 1 1 A 6 6 VAL CA C 6 59.560 60.506 -0.946 1
1 34 . 17 1 1 A 6 6 VAL CB C 6 30.680 34.481 -3.801 1
1 37 . 17 1 1 A 6 6 VAL N N 6 118.616 116.066 2.550 1
1 38 . 17 1 1 A 7 7 ALA H H 7 8.029 9.220 -1.191 1
1 39 . 17 1 1 A 7 7 ALA HA H 7 4.167 4.033 0.134 1
1 43 . 17 1 1 A 7 7 ALA C C 7 173.395 176.765 -3.370 1
1 44 . 17 1 1 A 7 7 ALA CA C 7 50.780 54.134 -3.354 1
1 45 . 17 1 1 A 7 7 ALA CB C 7 18.292 17.733 0.559 1
1 46 . 17 1 1 A 7 7 ALA N N 7 126.653 131.999 -5.346 1
1 47 . 17 1 1 A 8 8 GLU H H 8 8.587 8.806 -0.219 1
1 48 . 17 1 1 A 8 8 GLU HA H 8 4.085 3.775 0.310 1
1 53 . 17 1 1 A 8 8 GLU C C 8 176.717 176.381 0.336 1
1 54 . 17 1 1 A 8 8 GLU CA C 8 56.520 58.280 -1.760 1
1 55 . 17 1 1 A 8 8 GLU CB C 8 27.393 27.145 0.248 1
1 57 . 17 1 1 A 8 8 GLU N N 8 118.049 111.720 6.329 1
1 58 . 17 1 1 A 9 9 CYS H H 9 7.348 8.029 -0.681 1
1 59 . 17 1 1 A 9 9 CYS HA H 9 4.422 4.625 -0.203 1
1 62 . 17 1 1 A 9 9 CYS C C 9 173.399 173.516 -0.117 1
1 63 . 17 1 1 A 9 9 CYS CA C 9 51.850 56.321 -4.471 1
1 64 . 17 1 1 A 9 9 CYS CB C 9 38.617 42.991 -4.374 1
1 65 . 17 1 1 A 9 9 CYS N N 9 109.798 116.815 -7.017 1
1 66 . 17 1 1 A 10 10 VAL H H 10 7.682 7.398 0.284 1
1 67 . 17 1 1 A 10 10 VAL HA H 10 4.483 4.597 -0.114 1
1 75 . 17 1 1 A 10 10 VAL C C 10 172.261 174.702 -2.441 1
1 76 . 17 1 1 A 10 10 VAL CA C 10 60.360 60.702 -0.342 1
1 77 . 17 1 1 A 10 10 VAL CB C 10 29.445 33.180 -3.735 1
1 80 . 17 1 1 A 10 10 VAL N N 10 125.088 120.953 4.135 1
1 81 . 17 1 1 A 11 11 GLU H H 11 8.322 8.831 -0.509 1
1 82 . 17 1 1 A 11 11 GLU HA H 11 4.644 4.916 -0.272 1
1 87 . 17 1 1 A 11 11 GLU C C 11 172.004 174.484 -2.480 1
1 88 . 17 1 1 A 11 11 GLU CA C 11 51.852 54.665 -2.813 1
1 89 . 17 1 1 A 11 11 GLU CB C 11 31.925 33.406 -1.481 1
1 91 . 17 1 1 A 11 11 GLU N N 11 124.099 126.260 -2.161 1
1 92 . 17 1 1 A 12 12 TYR H H 12 7.843 8.485 -0.642 1
1 93 . 17 1 1 A 12 12 TYR HA H 12 5.697 6.492 -0.795 1
1 100 . 17 1 1 A 12 12 TYR C C 12 172.281 173.972 -1.691 1
1 101 . 17 1 1 A 12 12 TYR CA C 12 53.160 55.530 -2.370 1
1 102 . 17 1 1 A 12 12 TYR CB C 12 40.610 41.675 -1.065 1
1 103 . 17 1 1 A 12 12 TYR N N 12 115.283 124.677 -9.394 1
1 104 . 17 1 1 A 13 13 PHE H H 13 9.057 8.887 0.170 1
1 105 . 17 1 1 A 13 13 PHE HA H 13 4.750 5.114 -0.364 1
1 106 . 17 1 1 A 13 13 PHE C C 13 170.766 173.712 -2.946 1
1 107 . 17 1 1 A 13 13 PHE CA C 13 54.815 57.237 -2.422 1
1 108 . 17 1 1 A 13 13 PHE CB C 13 39.947 43.104 -3.157 1
1 109 . 17 1 1 A 13 13 PHE N N 13 119.347 120.416 -1.069 1
1 110 . 17 1 1 A 14 14 GLN HA H 14 5.302 5.224 0.078 1
1 113 . 17 1 1 A 14 14 GLN CA C 14 53.700 54.289 -0.589 1
1 114 . 17 1 1 A 14 14 GLN CB C 14 30.685 30.755 -0.070 1
1 115 . 17 1 1 A 15 15 SER H H 15 8.657 9.152 -0.495 1
1 116 . 17 1 1 A 15 15 SER HA H 15 4.715 4.862 -0.147 1
1 117 . 17 1 1 A 15 15 SER C C 15 172.296 173.798 -1.502 1
1 118 . 17 1 1 A 15 15 SER CA C 15 54.708 56.807 -2.099 1
1 119 . 17 1 1 A 15 15 SER CB C 15 64.456 64.042 0.414 1
1 120 . 17 1 1 A 15 15 SER N N 15 119.667 118.179 1.488 1
1 121 . 17 1 1 A 17 17 ARG HA H 17 3.413 3.766 -0.353 1
1 124 . 17 1 1 A 17 17 ARG CA C 17 55.648 57.407 -1.759 1
1 125 . 17 1 1 A 17 17 ARG CB C 17 29.496 27.773 1.723 1
1 126 . 17 1 1 A 18 18 TYR H H 18 6.870 7.785 -0.915 1
1 127 . 17 1 1 A 18 18 TYR HA H 18 5.233 5.023 0.210 1
1 134 . 17 1 1 A 18 18 TYR C C 18 174.107 174.390 -0.283 1
1 135 . 17 1 1 A 18 18 TYR CA C 18 54.231 57.066 -2.835 1
1 136 . 17 1 1 A 18 18 TYR CB C 18 40.725 39.901 0.824 1
1 137 . 17 1 1 A 18 18 TYR N N 18 114.525 119.490 -4.965 1
1 138 . 17 1 1 A 19 19 THR H H 19 8.684 9.169 -0.485 1
1 139 . 17 1 1 A 19 19 THR HA H 19 5.061 5.298 -0.237 1
1 144 . 17 1 1 A 19 19 THR C C 19 173.054 173.521 -0.467 1
1 145 . 17 1 1 A 19 19 THR CA C 19 60.704 62.732 -2.028 1
1 146 . 17 1 1 A 19 19 THR CB C 19 67.997 68.551 -0.554 1
1 148 . 17 1 1 A 19 19 THR N N 19 119.368 123.921 -4.553 1
1 149 . 17 1 1 A 20 20 ASP H H 20 8.975 8.762 0.213 1
1 150 . 17 1 1 A 20 20 ASP HA H 20 5.690 4.819 0.871 1
1 153 . 17 1 1 A 20 20 ASP C C 20 171.832 174.627 -2.795 1
1 154 . 17 1 1 A 20 20 ASP CA C 20 52.039 52.905 -0.866 1
1 155 . 17 1 1 A 20 20 ASP CB C 20 42.292 40.541 1.751 1
1 156 . 17 1 1 A 20 20 ASP N N 20 128.307 126.959 1.348 1
1 157 . 17 1 1 A 21 21 VAL H H 21 9.496 8.373 1.123 1
1 158 . 17 1 1 A 21 21 VAL HA H 21 4.775 4.818 -0.043 1
1 166 . 17 1 1 A 21 21 VAL C C 21 173.611 174.562 -0.951 1
1 167 . 17 1 1 A 21 21 VAL CA C 21 59.478 60.606 -1.128 1
1 168 . 17 1 1 A 21 21 VAL CB C 21 32.243 33.859 -1.616 1
1 171 . 17 1 1 A 21 21 VAL N N 21 123.356 124.948 -1.592 1
1 172 . 17 1 1 A 22 22 HIS H H 22 8.973 8.498 0.475 1
1 173 . 17 1 1 A 22 22 HIS HA H 22 4.622 5.869 -1.247 1
1 177 . 17 1 1 A 22 22 HIS C C 22 171.626 173.948 -2.322 1
1 178 . 17 1 1 A 22 22 HIS CA C 22 49.980 54.379 -4.399 1
1 179 . 17 1 1 A 22 22 HIS CB C 22 28.390 31.546 -3.156 1
1 180 . 17 1 1 A 22 22 HIS N N 22 124.534 127.016 -2.482 1
1 181 . 17 1 1 A 23 23 ASN H H 23 8.317 9.069 -0.752 1
1 182 . 17 1 1 A 23 23 ASN HA H 23 4.517 4.852 -0.335 1
1 185 . 17 1 1 A 23 23 ASN C C 23 171.836 176.164 -4.328 1
1 186 . 17 1 1 A 23 23 ASN CA C 23 49.380 53.535 -4.155 1
1 187 . 17 1 1 A 23 23 ASN CB C 23 36.018 40.064 -4.046 1
1 188 . 17 1 1 A 23 23 ASN N N 23 123.095 124.025 -0.930 1
1 189 . 17 1 1 A 24 24 GLY H H 24 7.602 8.439 -0.837 1
1 190 . 17 1 1 A 24 24 GLY HA2 H 24 4.051 4.273 -0.222 1
1 191 . 17 1 1 A 24 24 GLY HA3 H 24 3.381 4.275 -0.894 1
1 192 . 17 1 1 A 24 24 GLY C C 24 171.684 175.180 -3.496 1
1 193 . 17 1 1 A 24 24 GLY CA C 24 42.936 45.777 -2.841 1
1 194 . 17 1 1 A 24 24 GLY N N 24 113.217 109.303 3.914 1
1 195 . 17 1 1 A 25 25 CYS H H 25 8.145 7.980 0.165 1
1 196 . 17 1 1 A 25 25 CYS HA H 25 4.544 4.704 -0.160 1
1 199 . 17 1 1 A 25 25 CYS C C 25 172.305 173.717 -1.412 1
1 200 . 17 1 1 A 25 25 CYS CA C 25 50.790 57.038 -6.248 1
1 201 . 17 1 1 A 25 25 CYS CB C 25 39.528 43.196 -3.668 1
1 202 . 17 1 1 A 25 25 CYS N N 25 119.843 118.509 1.334 1
1 203 . 17 1 1 A 26 26 ALA H H 26 8.111 7.929 0.182 1
1 204 . 17 1 1 A 26 26 ALA HA H 26 4.084 4.036 0.048 1
1 208 . 17 1 1 A 26 26 ALA C C 26 172.481 175.475 -2.994 1
1 209 . 17 1 1 A 26 26 ALA CA C 26 50.950 54.254 -3.304 1
1 210 . 17 1 1 A 26 26 ALA CB C 26 17.251 18.011 -0.760 1
1 211 . 17 1 1 A 26 26 ALA N N 26 119.852 122.198 -2.346 1
1 212 . 17 1 1 A 27 27 ASP H H 27 6.938 7.632 -0.694 1
1 213 . 17 1 1 A 27 27 ASP HA H 27 4.787 5.252 -0.465 1
1 216 . 17 1 1 A 27 27 ASP C C 27 174.263 174.539 -0.276 1
1 217 . 17 1 1 A 27 27 ASP CA C 27 49.550 52.290 -2.740 1
1 218 . 17 1 1 A 27 27 ASP CB C 27 42.250 43.945 -1.695 1
1 219 . 17 1 1 A 27 27 ASP N N 27 113.761 116.156 -2.395 1
1 220 . 17 1 1 A 28 28 ALA H H 28 8.454 8.384 0.070 1
1 221 . 17 1 1 A 28 28 ALA HA H 28 3.986 4.880 -0.894 1
1 225 . 17 1 1 A 28 28 ALA C C 28 173.188 177.649 -4.461 1
1 226 . 17 1 1 A 28 28 ALA CA C 28 50.550 52.330 -1.780 1
1 227 . 17 1 1 A 28 28 ALA CB C 28 16.820 19.046 -2.226 1
1 228 . 17 1 1 A 28 28 ALA N N 28 121.635 123.426 -1.791 1
1 229 . 17 1 1 A 29 29 VAL H H 29 7.742 8.884 -1.142 1
1 230 . 17 1 1 A 29 29 VAL HA H 29 4.553 4.856 -0.303 1
1 238 . 17 1 1 A 29 29 VAL C C 29 174.826 174.326 0.500 1
1 239 . 17 1 1 A 29 29 VAL CA C 29 57.140 59.398 -2.258 1
1 240 . 17 1 1 A 29 29 VAL CB C 29 33.000 35.071 -2.071 1
1 243 . 17 1 1 A 29 29 VAL N N 29 113.732 118.258 -4.526 1
1 244 . 17 1 1 A 30 30 SER H H 30 8.101 8.872 -0.771 1
1 245 . 17 1 1 A 30 30 SER HA H 30 5.338 4.931 0.407 1
1 248 . 17 1 1 A 30 30 SER C C 30 171.613 174.337 -2.724 1
1 249 . 17 1 1 A 30 30 SER CA C 30 54.310 58.223 -3.913 1
1 250 . 17 1 1 A 30 30 SER CB C 30 62.237 63.957 -1.720 1
1 251 . 17 1 1 A 30 30 SER N N 30 118.729 121.544 -2.815 1
1 252 . 17 1 1 A 31 31 VAL H H 31 8.780 9.524 -0.744 1
1 253 . 17 1 1 A 31 31 VAL HA H 31 5.146 5.292 -0.146 1
1 261 . 17 1 1 A 31 31 VAL C C 31 172.831 174.150 -1.319 1
1 262 . 17 1 1 A 31 31 VAL CA C 31 56.940 59.618 -2.678 1
1 263 . 17 1 1 A 31 31 VAL CB C 31 35.030 35.100 -0.070 1
1 266 . 17 1 1 A 31 31 VAL N N 31 119.018 120.617 -1.599 1
1 267 . 17 1 1 A 32 32 THR H H 32 8.366 8.868 -0.502 1
1 268 . 17 1 1 A 32 32 THR HA H 32 4.498 4.716 -0.218 1
1 273 . 17 1 1 A 32 32 THR C C 32 171.480 172.470 -0.990 1
1 274 . 17 1 1 A 32 32 THR CA C 32 57.100 60.377 -3.277 1
1 275 . 17 1 1 A 32 32 THR CB C 32 67.767 70.955 -3.188 1
1 277 . 17 1 1 A 32 32 THR N N 32 115.885 116.268 -0.383 1
1 278 . 17 1 1 A 33 33 VAL H H 33 6.720 8.449 -1.729 1
1 279 . 17 1 1 A 33 33 VAL HA H 33 3.950 5.001 -1.051 1
1 287 . 17 1 1 A 33 33 VAL C C 33 169.808 173.141 -3.333 1
1 288 . 17 1 1 A 33 33 VAL CA C 33 57.990 59.195 -1.205 1
1 289 . 17 1 1 A 33 33 VAL CB C 33 32.331 34.804 -2.473 1
1 292 . 17 1 1 A 33 33 VAL N N 33 119.716 119.353 0.363 1
1 293 . 17 1 1 A 34 34 GLU H H 34 7.670 9.263 -1.593 1
1 294 . 17 1 1 A 34 34 GLU HA H 34 4.187 4.587 -0.400 1
1 297 . 17 1 1 A 34 34 GLU C C 34 171.032 175.097 -4.065 1
1 298 . 17 1 1 A 34 34 GLU CA C 34 51.930 54.375 -2.445 1
1 299 . 17 1 1 A 34 34 GLU CB C 34 29.430 31.929 -2.499 1
1 300 . 17 1 1 A 34 34 GLU N N 34 123.182 124.750 -1.568 1
1 301 . 17 1 1 A 35 35 TYR H H 35 8.500 8.851 -0.351 1
1 302 . 17 1 1 A 35 35 TYR HA H 35 4.646 4.721 -0.075 1
1 309 . 17 1 1 A 35 35 TYR C C 35 172.817 177.296 -4.479 1
1 310 . 17 1 1 A 35 35 TYR CA C 35 55.880 57.846 -1.966 1
1 311 . 17 1 1 A 35 35 TYR CB C 35 38.300 40.575 -2.275 1
1 312 . 17 1 1 A 35 35 TYR N N 35 122.953 125.480 -2.527 1
1 313 . 17 1 1 A 36 36 THR H H 36 8.295 9.175 -0.880 1
1 314 . 17 1 1 A 36 36 THR HA H 36 3.731 3.965 -0.234 1
1 319 . 17 1 1 A 36 36 THR C C 36 175.873 175.262 0.611 1
1 320 . 17 1 1 A 36 36 THR CA C 36 65.169 65.970 -0.801 1
1 321 . 17 1 1 A 36 36 THR CB C 36 67.700 68.943 -1.243 1
1 323 . 17 1 1 A 36 36 THR N N 36 119.739 116.962 2.777 1
1 324 . 17 1 1 A 37 37 HIS H H 37 8.755 7.822 0.933 1
1 325 . 17 1 1 A 37 37 HIS HA H 37 4.807 4.644 0.163 1
1 329 . 17 1 1 A 37 37 HIS C C 37 173.381 175.862 -2.481 1
1 330 . 17 1 1 A 37 37 HIS CA C 37 53.412 57.562 -4.150 1
1 331 . 17 1 1 A 37 37 HIS CB C 37 27.137 31.146 -4.009 1
1 332 . 17 1 1 A 37 37 HIS N N 37 115.916 116.539 -0.623 1
1 333 . 17 1 1 A 38 38 GLY H H 38 7.856 7.956 -0.100 1
1 334 . 17 1 1 A 38 38 GLY HA2 H 38 4.091 4.064 0.027 1
1 335 . 17 1 1 A 38 38 GLY HA3 H 38 3.795 4.148 -0.353 1
1 336 . 17 1 1 A 38 38 GLY C C 38 174.479 174.718 -0.239 1
1 337 . 17 1 1 A 38 38 GLY CA C 38 43.935 45.423 -1.488 1
1 338 . 17 1 1 A 38 38 GLY N N 38 106.387 105.362 1.025 1
1 339 . 17 1 1 A 39 39 GLN H H 39 8.096 7.864 0.232 1
1 340 . 17 1 1 A 39 39 GLN HA H 39 4.239 4.452 -0.213 1
1 345 . 17 1 1 A 39 39 GLN C C 39 171.748 175.914 -4.166 1
1 346 . 17 1 1 A 39 39 GLN CA C 39 55.050 55.854 -0.804 1
1 347 . 17 1 1 A 39 39 GLN CB C 39 26.580 29.815 -3.235 1
1 349 . 17 1 1 A 39 39 GLN N N 39 119.846 118.654 1.192 1
1 350 . 17 1 1 A 40 40 TRP H H 40 8.286 8.724 -0.438 1
1 351 . 17 1 1 A 40 40 TRP HA H 40 4.961 4.632 0.329 1
1 358 . 17 1 1 A 40 40 TRP C C 40 172.966 175.978 -3.012 1
1 359 . 17 1 1 A 40 40 TRP CA C 40 55.210 58.258 -3.048 1
1 360 . 17 1 1 A 40 40 TRP CB C 40 28.161 29.905 -1.744 1
1 361 . 17 1 1 A 40 40 TRP N N 40 121.182 124.076 -2.894 1
1 363 . 17 1 1 A 41 41 ALA H H 41 7.947 8.563 -0.616 1
1 364 . 17 1 1 A 41 41 ALA HA H 41 4.641 4.372 0.269 1
1 368 . 17 1 1 A 41 41 ALA C C 41 174.070 177.164 -3.094 1
1 369 . 17 1 1 A 41 41 ALA CA C 41 47.995 53.285 -5.290 1
1 370 . 17 1 1 A 41 41 ALA CB C 41 18.627 21.169 -2.542 1
1 371 . 17 1 1 A 41 41 ALA N N 41 126.752 128.970 -2.218 1
1 372 . 17 1 1 A 42 42 PRO HA H 42 4.240 3.987 0.253 1
1 377 . 17 1 1 A 42 42 PRO CA C 42 60.853 63.474 -2.621 1
1 378 . 17 1 1 A 42 42 PRO CB C 42 30.203 31.000 -0.797 1
1 379 . 17 1 1 A 43 43 CYS H H 43 8.229 8.251 -0.022 1
1 380 . 17 1 1 A 43 43 CYS HA H 43 4.643 5.194 -0.551 1
1 383 . 17 1 1 A 43 43 CYS C C 43 173.099 171.857 1.242 1
1 384 . 17 1 1 A 43 43 CYS CA C 43 53.574 56.716 -3.142 1
1 385 . 17 1 1 A 43 43 CYS CB C 43 39.464 44.531 -5.067 1
1 386 . 17 1 1 A 43 43 CYS N N 43 119.646 117.171 2.475 1
1 387 . 17 1 1 A 44 44 ARG H H 44 8.931 9.595 -0.664 1
1 388 . 17 1 1 A 44 44 ARG HA H 44 4.653 4.786 -0.133 1
1 395 . 17 1 1 A 44 44 ARG C C 44 172.821 174.538 -1.717 1
1 396 . 17 1 1 A 44 44 ARG CA C 44 51.850 55.579 -3.729 1
1 397 . 17 1 1 A 44 44 ARG CB C 44 30.892 34.486 -3.594 1
1 400 . 17 1 1 A 44 44 ARG N N 44 128.546 125.522 3.024 1
1 401 . 17 1 1 A 45 45 VAL H H 45 8.242 8.612 -0.370 1
1 402 . 17 1 1 A 45 45 VAL HA H 45 4.625 4.649 -0.024 1
1 410 . 17 1 1 A 45 45 VAL C C 45 172.339 175.093 -2.754 1
1 411 . 17 1 1 A 45 45 VAL CA C 45 59.800 62.173 -2.373 1
1 412 . 17 1 1 A 45 45 VAL CB C 45 29.914 33.201 -3.287 1
1 415 . 17 1 1 A 45 45 VAL N N 45 123.347 124.626 -1.279 1
1 416 . 17 1 1 A 46 46 ILE H H 46 9.161 9.393 -0.232 1
1 417 . 17 1 1 A 46 46 ILE HA H 46 4.241 4.697 -0.456 1
1 427 . 17 1 1 A 46 46 ILE C C 46 174.656 175.646 -0.990 1
1 428 . 17 1 1 A 46 46 ILE CA C 46 58.660 59.899 -1.239 1
1 429 . 17 1 1 A 46 46 ILE CB C 46 37.551 39.646 -2.095 1
1 432 . 17 1 1 A 46 46 ILE N N 46 128.086 128.570 -0.484 1
1 433 . 17 1 1 A 47 47 GLU H H 47 9.214 8.635 0.579 1
1 434 . 17 1 1 A 47 47 GLU HA H 47 4.182 4.770 -0.588 1
1 439 . 17 1 1 A 47 47 GLU C C 47 174.413 174.679 -0.266 1
1 440 . 17 1 1 A 47 47 GLU CA C 47 53.820 54.090 -0.270 1
1 441 . 17 1 1 A 47 47 GLU CB C 47 25.600 29.331 -3.731 1
1 443 . 17 1 1 A 47 47 GLU N N 47 129.614 125.150 4.464 1
1 444 . 17 1 1 A 48 48 PRO HA H 48 3.872 4.322 -0.450 1
1 451 . 17 1 1 A 48 48 PRO CA C 48 62.770 63.936 -1.166 1
1 452 . 17 1 1 A 48 48 PRO CB C 48 29.241 31.381 -2.140 1
1 455 . 17 1 1 A 49 49 GLY H H 49 8.330 8.530 -0.200 1
1 456 . 17 1 1 A 49 49 GLY HA2 H 49 4.140 4.003 0.137 1
1 457 . 17 1 1 A 49 49 GLY HA3 H 49 3.702 4.046 -0.344 1
1 458 . 17 1 1 A 49 49 GLY C C 49 176.101 174.584 1.517 1
1 459 . 17 1 1 A 49 49 GLY CA C 49 43.930 45.526 -1.596 1
1 460 . 17 1 1 A 49 49 GLY N N 49 115.617 113.121 2.496 1
1 461 . 17 1 1 A 50 50 GLY H H 50 8.496 8.810 -0.314 1
1 462 . 17 1 1 A 50 50 GLY HA2 H 50 4.374 4.101 0.273 1
1 463 . 17 1 1 A 50 50 GLY HA3 H 50 3.614 4.129 -0.515 1
1 464 . 17 1 1 A 50 50 GLY C C 50 172.758 173.682 -0.924 1
1 465 . 17 1 1 A 50 50 GLY CA C 50 42.550 44.364 -1.814 1
1 466 . 17 1 1 A 50 50 GLY N N 50 108.129 108.286 -0.157 1
1 467 . 17 1 1 A 51 51 TRP H H 51 8.184 8.762 -0.578 1
1 468 . 17 1 1 A 51 51 TRP HA H 51 5.778 6.473 -0.695 1
1 475 . 17 1 1 A 51 51 TRP C C 51 170.134 175.450 -5.316 1
1 476 . 17 1 1 A 51 51 TRP CA C 51 53.820 55.883 -2.063 1
1 477 . 17 1 1 A 51 51 TRP CB C 51 30.930 33.730 -2.800 1
1 478 . 17 1 1 A 51 51 TRP N N 51 117.328 120.421 -3.093 1
1 480 . 17 1 1 A 52 52 ALA H H 52 9.354 9.037 0.317 1
1 481 . 17 1 1 A 52 52 ALA HA H 52 4.654 5.039 -0.385 1
1 485 . 17 1 1 A 52 52 ALA C C 52 174.350 175.268 -0.918 1
1 486 . 17 1 1 A 52 52 ALA CA C 52 49.250 50.777 -1.527 1
1 487 . 17 1 1 A 52 52 ALA CB C 52 20.971 21.484 -0.513 1
1 488 . 17 1 1 A 52 52 ALA N N 52 122.785 123.041 -0.256 1
1 489 . 17 1 1 A 53 53 THR H H 53 8.059 8.387 -0.328 1
1 490 . 17 1 1 A 53 53 THR HA H 53 5.251 4.523 0.728 1
1 495 . 17 1 1 A 53 53 THR C C 53 173.703 173.883 -0.180 1
1 496 . 17 1 1 A 53 53 THR CA C 53 60.321 62.343 -2.022 1
1 497 . 17 1 1 A 53 53 THR CB C 53 69.150 69.195 -0.045 1
1 499 . 17 1 1 A 53 53 THR N N 53 115.813 117.993 -2.180 1
1 500 . 17 1 1 A 54 54 PHE H H 54 9.370 8.366 1.004 1
1 501 . 17 1 1 A 54 54 PHE HA H 54 4.827 4.954 -0.127 1
1 508 . 17 1 1 A 54 54 PHE C C 54 171.593 174.988 -3.395 1
1 509 . 17 1 1 A 54 54 PHE CA C 54 53.813 56.525 -2.712 1
1 510 . 17 1 1 A 54 54 PHE CB C 54 40.556 43.026 -2.470 1
1 511 . 17 1 1 A 54 54 PHE N N 54 125.684 124.661 1.023 1
1 512 . 17 1 1 A 55 55 ALA H H 55 8.706 8.736 -0.030 1
1 513 . 17 1 1 A 55 55 ALA HA H 55 4.362 4.223 0.139 1
1 517 . 17 1 1 A 55 55 ALA C C 55 173.468 177.991 -4.523 1
1 518 . 17 1 1 A 55 55 ALA CA C 55 52.010 52.348 -0.338 1
1 519 . 17 1 1 A 55 55 ALA CB C 55 16.740 19.204 -2.464 1
1 520 . 17 1 1 A 55 55 ALA N N 55 124.175 126.479 -2.304 1
1 521 . 17 1 1 A 56 56 GLY H H 56 7.517 8.736 -1.219 1
1 522 . 17 1 1 A 56 56 GLY HA2 H 56 4.252 4.161 0.091 1
1 523 . 17 1 1 A 56 56 GLY HA3 H 56 3.339 4.244 -0.905 1
1 524 . 17 1 1 A 56 56 GLY C C 56 178.583 173.176 5.407 1
1 525 . 17 1 1 A 56 56 GLY CA C 56 42.282 44.703 -2.421 1
1 526 . 17 1 1 A 56 56 GLY N N 56 110.256 110.664 -0.408 1
1 527 . 17 1 1 A 57 57 TYR H H 57 7.154 9.031 -1.877 1
1 528 . 17 1 1 A 57 57 TYR HA H 57 4.516 4.768 -0.252 1
1 535 . 17 1 1 A 57 57 TYR C C 57 170.587 176.046 -5.459 1
1 536 . 17 1 1 A 57 57 TYR CA C 57 55.130 56.943 -1.813 1
1 537 . 17 1 1 A 57 57 TYR CB C 57 36.127 37.916 -1.789 1
1 538 . 17 1 1 A 57 57 TYR N N 57 113.618 119.482 -5.864 1
1 539 . 17 1 1 A 58 58 GLY H H 58 8.498 8.345 0.153 1
1 540 . 17 1 1 A 58 58 GLY HA2 H 58 3.946 2.978 0.968 1
1 541 . 17 1 1 A 58 58 GLY HA3 H 58 3.420 3.311 0.109 1
1 542 . 17 1 1 A 58 58 GLY C C 58 175.193 174.112 1.081 1
1 543 . 17 1 1 A 58 58 GLY CA C 58 43.806 46.588 -2.782 1
1 544 . 17 1 1 A 58 58 GLY N N 58 109.549 110.324 -0.775 1
1 545 . 17 1 1 A 59 59 THR H H 59 8.301 7.516 0.785 1
1 546 . 17 1 1 A 59 59 THR HA H 59 4.277 4.498 -0.221 1
1 547 . 17 1 1 A 59 59 THR C C 59 172.318 173.516 -1.198 1
1 548 . 17 1 1 A 59 59 THR CA C 59 60.637 60.513 0.124 1
1 549 . 17 1 1 A 59 59 THR CB C 59 67.412 68.449 -1.037 1
1 550 . 17 1 1 A 59 59 THR N N 59 111.031 110.389 0.642 1
1 551 . 17 1 1 A 60 60 ASP H H 60 8.414 8.196 0.218 1
1 552 . 17 1 1 A 60 60 ASP HA H 60 4.679 4.500 0.179 1
1 555 . 17 1 1 A 60 60 ASP C C 60 173.345 176.004 -2.659 1
1 556 . 17 1 1 A 60 60 ASP CA C 60 51.030 55.573 -4.543 1
1 557 . 17 1 1 A 60 60 ASP CB C 60 38.608 39.204 -0.596 1
1 558 . 17 1 1 A 60 60 ASP N N 60 120.007 116.130 3.877 1
1 559 . 17 1 1 A 61 61 GLY H H 61 7.967 8.111 -0.144 1
1 560 . 17 1 1 A 61 61 GLY HA2 H 61 3.550 3.761 -0.211 1
1 561 . 17 1 1 A 61 61 GLY HA3 H 61 2.879 3.848 -0.969 1
1 562 . 17 1 1 A 61 61 GLY C C 61 175.339 174.848 0.491 1
1 563 . 17 1 1 A 61 61 GLY CA C 61 44.956 46.986 -2.030 1
1 564 . 17 1 1 A 61 61 GLY N N 61 108.692 106.279 2.413 1
1 565 . 17 1 1 A 62 62 ASN H H 62 8.507 8.053 0.454 1
1 566 . 17 1 1 A 62 62 ASN HA H 62 4.455 5.255 -0.800 1
1 571 . 17 1 1 A 62 62 ASN C C 62 172.217 174.082 -1.865 1
1 572 . 17 1 1 A 62 62 ASN CA C 62 48.627 52.968 -4.341 1
1 573 . 17 1 1 A 62 62 ASN CB C 62 34.339 38.959 -4.620 1
1 574 . 17 1 1 A 62 62 ASN N N 62 120.625 117.769 2.856 1
1 576 . 17 1 1 A 63 63 TYR H H 63 6.994 9.041 -2.047 1
1 577 . 17 1 1 A 63 63 TYR HA H 63 4.477 5.437 -0.960 1
1 580 . 17 1 1 A 63 63 TYR C C 63 172.042 174.563 -2.521 1
1 581 . 17 1 1 A 63 63 TYR CA C 63 56.210 55.565 0.645 1
1 582 . 17 1 1 A 63 63 TYR CB C 63 36.755 40.942 -4.187 1
1 583 . 17 1 1 A 63 63 TYR N N 63 116.333 126.042 -9.709 1
1 584 . 17 1 1 A 64 64 VAL H H 64 8.841 8.685 0.156 1
1 585 . 17 1 1 A 64 64 VAL HA H 64 3.689 4.083 -0.394 1
1 593 . 17 1 1 A 64 64 VAL C C 64 175.531 175.680 -0.149 1
1 594 . 17 1 1 A 64 64 VAL CA C 64 61.550 62.591 -1.041 1
1 595 . 17 1 1 A 64 64 VAL CB C 64 30.583 31.777 -1.194 1
1 598 . 17 1 1 A 64 64 VAL N N 64 123.889 127.077 -3.188 1
1 599 . 17 1 1 A 65 65 THR H H 65 8.850 9.366 -0.516 1
1 600 . 17 1 1 A 65 65 THR HA H 65 4.210 4.369 -0.159 1
1 605 . 17 1 1 A 65 65 THR C C 65 175.388 174.678 0.710 1
1 606 . 17 1 1 A 65 65 THR CA C 65 60.109 61.292 -1.183 1
1 607 . 17 1 1 A 65 65 THR CB C 65 66.710 70.376 -3.666 1
1 609 . 17 1 1 A 65 65 THR N N 65 119.739 119.123 0.616 1
1 610 . 17 1 1 A 66 66 GLY H H 66 6.907 7.440 -0.533 1
1 611 . 17 1 1 A 66 66 GLY HA2 H 66 3.769 4.301 -0.532 1
1 612 . 17 1 1 A 66 66 GLY HA3 H 66 3.583 4.318 -0.735 1
1 613 . 17 1 1 A 66 66 GLY C C 66 173.131 171.950 1.181 1
1 614 . 17 1 1 A 66 66 GLY CA C 66 42.950 44.723 -1.773 1
1 615 . 17 1 1 A 66 66 GLY N N 66 108.712 108.763 -0.051 1
1 616 . 17 1 1 A 67 67 LEU H H 67 7.723 8.889 -1.166 1
1 617 . 17 1 1 A 67 67 LEU HA H 67 4.628 4.748 -0.120 1
1 626 . 17 1 1 A 67 67 LEU C C 67 167.522 175.272 -7.750 1
1 627 . 17 1 1 A 67 67 LEU CA C 67 51.200 54.753 -3.553 1
1 628 . 17 1 1 A 67 67 LEU CB C 67 42.747 42.442 0.305 1
1 631 . 17 1 1 A 67 67 LEU N N 67 118.448 127.236 -8.788 1
1 632 . 17 1 1 A 68 68 HIS H H 68 8.003 9.050 -1.047 1
1 633 . 17 1 1 A 68 68 HIS HA H 68 4.890 5.021 -0.131 1
1 637 . 17 1 1 A 68 68 HIS C C 68 174.161 174.102 0.059 1
1 638 . 17 1 1 A 68 68 HIS CA C 68 52.180 54.457 -2.277 1
1 639 . 17 1 1 A 68 68 HIS CB C 68 31.877 33.637 -1.760 1
1 640 . 17 1 1 A 68 68 HIS N N 68 116.650 118.446 -1.796 1
1 641 . 17 1 1 A 69 69 THR H H 69 8.515 8.637 -0.122 1
1 642 . 17 1 1 A 69 69 THR HA H 69 4.808 4.466 0.342 1
1 647 . 17 1 1 A 69 69 THR C C 69 172.511 173.755 -1.244 1
1 648 . 17 1 1 A 69 69 THR CA C 69 60.130 62.858 -2.728 1
1 649 . 17 1 1 A 69 69 THR CB C 69 67.840 68.995 -1.155 1
1 651 . 17 1 1 A 69 69 THR N N 69 114.721 115.532 -0.811 1
1 652 . 17 1 1 A 70 70 CYS H H 70 7.731 9.857 -2.126 1
1 653 . 17 1 1 A 70 70 CYS HA H 70 4.786 5.114 -0.328 1
1 656 . 17 1 1 A 70 70 CYS C C 70 172.053 172.800 -0.747 1
1 657 . 17 1 1 A 70 70 CYS CA C 70 51.950 55.068 -3.118 1
1 658 . 17 1 1 A 70 70 CYS CB C 70 43.320 44.990 -1.670 1
1 659 . 17 1 1 A 70 70 CYS N N 70 117.575 125.952 -8.377 1
1 660 . 17 1 1 A 71 71 ASP H H 71 8.370 8.918 -0.548 1
1 661 . 17 1 1 A 71 71 ASP HA H 71 4.993 5.279 -0.286 1
1 664 . 17 1 1 A 71 71 ASP C C 71 169.692 174.190 -4.498 1
1 665 . 17 1 1 A 71 71 ASP CA C 71 48.815 51.051 -2.236 1
1 666 . 17 1 1 A 71 71 ASP CB C 71 40.118 43.273 -3.155 1
1 667 . 17 1 1 A 71 71 ASP N N 71 120.975 121.514 -0.539 1
1 668 . 17 1 1 A 72 72 PRO HA H 72 4.145 4.405 -0.260 1
1 675 . 17 1 1 A 72 72 PRO CA C 72 61.360 63.275 -1.915 1
1 676 . 17 1 1 A 72 72 PRO CB C 72 30.141 31.513 -1.372 1
1 679 . 17 1 1 A 73 73 ALA H H 73 8.169 8.170 -0.001 1
1 680 . 17 1 1 A 73 73 ALA HA H 73 4.247 4.655 -0.408 1
1 684 . 17 1 1 A 73 73 ALA C C 73 174.353 175.665 -1.312 1
1 685 . 17 1 1 A 73 73 ALA CA C 73 50.370 52.080 -1.710 1
1 686 . 17 1 1 A 73 73 ALA CB C 73 17.230 19.840 -2.610 1
1 687 . 17 1 1 A 73 73 ALA N N 73 122.390 124.857 -2.467 1
1 688 . 17 1 1 A 74 74 THR H H 74 7.704 8.942 -1.238 1
1 689 . 17 1 1 A 74 74 THR C C 74 175.770 173.608 2.162 1
1 690 . 17 1 1 A 74 74 THR CA C 74 57.794 59.683 -1.889 1
1 691 . 17 1 1 A 74 74 THR CB C 74 67.994 69.760 -1.766 1
1 692 . 17 1 1 A 74 74 THR N N 74 114.834 118.031 -3.197 1
1 693 . 17 1 1 A 75 75 PRO HA H 75 4.386 4.494 -0.108 1
1 700 . 17 1 1 A 75 75 PRO CA C 75 61.440 63.828 -2.388 1
1 701 . 17 1 1 A 75 75 PRO CB C 75 30.088 31.084 -0.996 1
1 704 . 17 1 1 A 76 76 SER H H 76 8.209 8.840 -0.631 1
1 705 . 17 1 1 A 76 76 SER HA H 76 4.373 4.102 0.271 1
1 708 . 17 1 1 A 76 76 SER C C 76 175.051 174.041 1.010 1
1 709 . 17 1 1 A 76 76 SER CA C 76 56.360 59.143 -2.783 1
1 710 . 17 1 1 A 76 76 SER CB C 76 61.939 61.969 -0.030 1
1 711 . 17 1 1 A 76 76 SER N N 76 115.319 112.726 2.593 1
1 712 . 17 1 1 A 77 77 GLY H H 77 8.124 8.246 -0.122 1
1 713 . 17 1 1 A 77 77 GLY HA2 H 77 4.093 4.114 -0.021 1
1 714 . 17 1 1 A 77 77 GLY HA3 H 77 3.577 4.117 -0.540 1
1 715 . 17 1 1 A 77 77 GLY C C 77 173.087 173.893 -0.806 1
1 716 . 17 1 1 A 77 77 GLY CA C 77 43.555 44.366 -0.811 1
1 717 . 17 1 1 A 77 77 GLY N N 77 110.791 109.944 0.847 1
1 3 . 18 1 1 A 1 1 ALA HA H 5 4.015 4.354 -0.339 1
1 7 . 18 1 1 A 2 2 THR H H 6 7.608 7.733 -0.125 1
1 8 . 18 1 1 A 2 2 THR C C 2 174.815 175.395 -0.580 1
1 9 . 18 1 1 A 2 2 THR CA C 2 56.801 62.881 -6.080 1
1 10 . 18 1 1 A 2 2 THR CB C 2 68.857 71.400 -2.543 1
1 11 . 18 1 1 A 2 2 THR N N 6 113.279 116.034 -2.755 1
1 12 . 18 1 1 A 5 5 PRO HA H 5 4.493 4.354 0.139 1
1 19 . 18 1 1 A 5 5 PRO CA C 5 61.290 64.685 -3.395 1
1 20 . 18 1 1 A 5 5 PRO CB C 5 30.190 31.784 -1.594 1
1 23 . 18 1 1 A 6 6 VAL H H 6 7.794 7.733 0.061 1
1 24 . 18 1 1 A 6 6 VAL HA H 6 3.880 4.249 -0.369 1
1 32 . 18 1 1 A 6 6 VAL C C 6 175.059 174.981 0.078 1
1 33 . 18 1 1 A 6 6 VAL CA C 6 59.560 60.407 -0.847 1
1 34 . 18 1 1 A 6 6 VAL CB C 6 30.680 34.736 -4.056 1
1 37 . 18 1 1 A 6 6 VAL N N 6 118.616 116.034 2.582 1
1 38 . 18 1 1 A 7 7 ALA H H 7 8.029 9.233 -1.204 1
1 39 . 18 1 1 A 7 7 ALA HA H 7 4.167 4.031 0.136 1
1 43 . 18 1 1 A 7 7 ALA C C 7 173.395 176.812 -3.417 1
1 44 . 18 1 1 A 7 7 ALA CA C 7 50.780 54.199 -3.419 1
1 45 . 18 1 1 A 7 7 ALA CB C 7 18.292 17.723 0.569 1
1 46 . 18 1 1 A 7 7 ALA N N 7 126.653 131.605 -4.952 1
1 47 . 18 1 1 A 8 8 GLU H H 8 8.587 9.045 -0.458 1
1 48 . 18 1 1 A 8 8 GLU HA H 8 4.085 3.793 0.292 1
1 53 . 18 1 1 A 8 8 GLU C C 8 176.717 176.256 0.461 1
1 54 . 18 1 1 A 8 8 GLU CA C 8 56.520 58.225 -1.705 1
1 55 . 18 1 1 A 8 8 GLU CB C 8 27.393 27.197 0.196 1
1 57 . 18 1 1 A 8 8 GLU N N 8 118.049 112.306 5.743 1
1 58 . 18 1 1 A 9 9 CYS H H 9 7.348 7.890 -0.542 1
1 59 . 18 1 1 A 9 9 CYS HA H 9 4.422 4.573 -0.151 1
1 62 . 18 1 1 A 9 9 CYS C C 9 173.399 173.531 -0.132 1
1 63 . 18 1 1 A 9 9 CYS CA C 9 51.850 56.968 -5.118 1
1 64 . 18 1 1 A 9 9 CYS CB C 9 38.617 43.453 -4.836 1
1 65 . 18 1 1 A 9 9 CYS N N 9 109.798 117.470 -7.672 1
1 66 . 18 1 1 A 10 10 VAL H H 10 7.682 7.402 0.280 1
1 67 . 18 1 1 A 10 10 VAL HA H 10 4.483 4.449 0.034 1
1 75 . 18 1 1 A 10 10 VAL C C 10 172.261 174.870 -2.609 1
1 76 . 18 1 1 A 10 10 VAL CA C 10 60.360 60.931 -0.571 1
1 77 . 18 1 1 A 10 10 VAL CB C 10 29.445 33.298 -3.853 1
1 80 . 18 1 1 A 10 10 VAL N N 10 125.088 119.516 5.572 1
1 81 . 18 1 1 A 11 11 GLU H H 11 8.322 8.997 -0.675 1
1 82 . 18 1 1 A 11 11 GLU HA H 11 4.644 4.894 -0.250 1
1 87 . 18 1 1 A 11 11 GLU C C 11 172.004 174.641 -2.637 1
1 88 . 18 1 1 A 11 11 GLU CA C 11 51.852 54.695 -2.843 1
1 89 . 18 1 1 A 11 11 GLU CB C 11 31.925 33.271 -1.346 1
1 91 . 18 1 1 A 11 11 GLU N N 11 124.099 126.537 -2.438 1
1 92 . 18 1 1 A 12 12 TYR H H 12 7.843 8.483 -0.640 1
1 93 . 18 1 1 A 12 12 TYR HA H 12 5.697 6.306 -0.609 1
1 100 . 18 1 1 A 12 12 TYR C C 12 172.281 173.848 -1.567 1
1 101 . 18 1 1 A 12 12 TYR CA C 12 53.160 55.557 -2.397 1
1 102 . 18 1 1 A 12 12 TYR CB C 12 40.610 41.526 -0.916 1
1 103 . 18 1 1 A 12 12 TYR N N 12 115.283 125.087 -9.804 1
1 104 . 18 1 1 A 13 13 PHE H H 13 9.057 8.802 0.255 1
1 105 . 18 1 1 A 13 13 PHE HA H 13 4.750 4.922 -0.172 1
1 106 . 18 1 1 A 13 13 PHE C C 13 170.766 173.713 -2.947 1
1 107 . 18 1 1 A 13 13 PHE CA C 13 54.815 57.183 -2.368 1
1 108 . 18 1 1 A 13 13 PHE CB C 13 39.947 41.113 -1.166 1
1 109 . 18 1 1 A 13 13 PHE N N 13 119.347 120.296 -0.949 1
1 110 . 18 1 1 A 14 14 GLN HA H 14 5.302 4.932 0.370 1
1 113 . 18 1 1 A 14 14 GLN CA C 14 53.700 53.677 0.023 1
1 114 . 18 1 1 A 14 14 GLN CB C 14 30.685 30.926 -0.241 1
1 115 . 18 1 1 A 15 15 SER H H 15 8.657 8.783 -0.126 1
1 116 . 18 1 1 A 15 15 SER HA H 15 4.715 4.943 -0.228 1
1 117 . 18 1 1 A 15 15 SER C C 15 172.296 174.491 -2.195 1
1 118 . 18 1 1 A 15 15 SER CA C 15 54.708 56.621 -1.913 1
1 119 . 18 1 1 A 15 15 SER CB C 15 64.456 63.780 0.676 1
1 120 . 18 1 1 A 15 15 SER N N 15 119.667 116.329 3.338 1
1 121 . 18 1 1 A 17 17 ARG HA H 17 3.413 4.505 -1.092 1
1 124 . 18 1 1 A 17 17 ARG CA C 17 55.648 55.644 0.004 1
1 125 . 18 1 1 A 17 17 ARG CB C 17 29.496 30.875 -1.379 1
1 126 . 18 1 1 A 18 18 TYR H H 18 6.870 7.480 -0.610 1
1 127 . 18 1 1 A 18 18 TYR HA H 18 5.233 5.070 0.163 1
1 134 . 18 1 1 A 18 18 TYR C C 18 174.107 174.229 -0.122 1
1 135 . 18 1 1 A 18 18 TYR CA C 18 54.231 56.526 -2.295 1
1 136 . 18 1 1 A 18 18 TYR CB C 18 40.725 39.928 0.797 1
1 137 . 18 1 1 A 18 18 TYR N N 18 114.525 121.134 -6.609 1
1 138 . 18 1 1 A 19 19 THR H H 19 8.684 9.199 -0.515 1
1 139 . 18 1 1 A 19 19 THR HA H 19 5.061 5.122 -0.061 1
1 144 . 18 1 1 A 19 19 THR C C 19 173.054 173.399 -0.345 1
1 145 . 18 1 1 A 19 19 THR CA C 19 60.704 62.694 -1.990 1
1 146 . 18 1 1 A 19 19 THR CB C 19 67.997 68.464 -0.467 1
1 148 . 18 1 1 A 19 19 THR N N 19 119.368 123.927 -4.559 1
1 149 . 18 1 1 A 20 20 ASP H H 20 8.975 8.354 0.621 1
1 150 . 18 1 1 A 20 20 ASP HA H 20 5.690 4.785 0.905 1
1 153 . 18 1 1 A 20 20 ASP C C 20 171.832 174.486 -2.654 1
1 154 . 18 1 1 A 20 20 ASP CA C 20 52.039 52.765 -0.726 1
1 155 . 18 1 1 A 20 20 ASP CB C 20 42.292 40.671 1.621 1
1 156 . 18 1 1 A 20 20 ASP N N 20 128.307 126.891 1.416 1
1 157 . 18 1 1 A 21 21 VAL H H 21 9.496 8.304 1.192 1
1 158 . 18 1 1 A 21 21 VAL HA H 21 4.775 4.747 0.028 1
1 166 . 18 1 1 A 21 21 VAL C C 21 173.611 174.456 -0.845 1
1 167 . 18 1 1 A 21 21 VAL CA C 21 59.478 60.571 -1.093 1
1 168 . 18 1 1 A 21 21 VAL CB C 21 32.243 33.566 -1.323 1
1 171 . 18 1 1 A 21 21 VAL N N 21 123.356 124.771 -1.415 1
1 172 . 18 1 1 A 22 22 HIS H H 22 8.973 8.557 0.416 1
1 173 . 18 1 1 A 22 22 HIS HA H 22 4.622 5.955 -1.333 1
1 177 . 18 1 1 A 22 22 HIS C C 22 171.626 173.867 -2.241 1
1 178 . 18 1 1 A 22 22 HIS CA C 22 49.980 54.473 -4.493 1
1 179 . 18 1 1 A 22 22 HIS CB C 22 28.390 31.643 -3.253 1
1 180 . 18 1 1 A 22 22 HIS N N 22 124.534 126.756 -2.222 1
1 181 . 18 1 1 A 23 23 ASN H H 23 8.317 9.203 -0.886 1
1 182 . 18 1 1 A 23 23 ASN HA H 23 4.517 4.998 -0.481 1
1 185 . 18 1 1 A 23 23 ASN C C 23 171.836 176.049 -4.213 1
1 186 . 18 1 1 A 23 23 ASN CA C 23 49.380 53.561 -4.181 1
1 187 . 18 1 1 A 23 23 ASN CB C 23 36.018 39.737 -3.719 1
1 188 . 18 1 1 A 23 23 ASN N N 23 123.095 123.737 -0.642 1
1 189 . 18 1 1 A 24 24 GLY H H 24 7.602 8.720 -1.118 1
1 190 . 18 1 1 A 24 24 GLY HA2 H 24 4.051 4.258 -0.207 1
1 191 . 18 1 1 A 24 24 GLY HA3 H 24 3.381 4.259 -0.878 1
1 192 . 18 1 1 A 24 24 GLY C C 24 171.684 175.244 -3.560 1
1 193 . 18 1 1 A 24 24 GLY CA C 24 42.936 45.736 -2.800 1
1 194 . 18 1 1 A 24 24 GLY N N 24 113.217 110.064 3.153 1
1 195 . 18 1 1 A 25 25 CYS H H 25 8.145 8.238 -0.093 1
1 196 . 18 1 1 A 25 25 CYS HA H 25 4.544 4.492 0.052 1
1 199 . 18 1 1 A 25 25 CYS C C 25 172.305 173.652 -1.347 1
1 200 . 18 1 1 A 25 25 CYS CA C 25 50.790 59.646 -8.856 1
1 201 . 18 1 1 A 25 25 CYS CB C 25 39.528 42.889 -3.361 1
1 202 . 18 1 1 A 25 25 CYS N N 25 119.843 118.431 1.412 1
1 203 . 18 1 1 A 26 26 ALA H H 26 8.111 7.553 0.558 1
1 204 . 18 1 1 A 26 26 ALA HA H 26 4.084 4.417 -0.333 1
1 208 . 18 1 1 A 26 26 ALA C C 26 172.481 176.219 -3.738 1
1 209 . 18 1 1 A 26 26 ALA CA C 26 50.950 54.330 -3.380 1
1 210 . 18 1 1 A 26 26 ALA CB C 26 17.251 18.524 -1.273 1
1 211 . 18 1 1 A 26 26 ALA N N 26 119.852 118.804 1.048 1
1 212 . 18 1 1 A 27 27 ASP H H 27 6.938 7.870 -0.932 1
1 213 . 18 1 1 A 27 27 ASP HA H 27 4.787 5.217 -0.430 1
1 216 . 18 1 1 A 27 27 ASP C C 27 174.263 175.179 -0.916 1
1 217 . 18 1 1 A 27 27 ASP CA C 27 49.550 52.398 -2.848 1
1 218 . 18 1 1 A 27 27 ASP CB C 27 42.250 43.722 -1.472 1
1 219 . 18 1 1 A 27 27 ASP N N 27 113.761 116.453 -2.692 1
1 220 . 18 1 1 A 28 28 ALA H H 28 8.454 8.400 0.054 1
1 221 . 18 1 1 A 28 28 ALA HA H 28 3.986 4.811 -0.825 1
1 225 . 18 1 1 A 28 28 ALA C C 28 173.188 177.743 -4.555 1
1 226 . 18 1 1 A 28 28 ALA CA C 28 50.550 52.388 -1.838 1
1 227 . 18 1 1 A 28 28 ALA CB C 28 16.820 19.117 -2.297 1
1 228 . 18 1 1 A 28 28 ALA N N 28 121.635 123.706 -2.071 1
1 229 . 18 1 1 A 29 29 VAL H H 29 7.742 8.886 -1.144 1
1 230 . 18 1 1 A 29 29 VAL HA H 29 4.553 4.867 -0.314 1
1 238 . 18 1 1 A 29 29 VAL C C 29 174.826 174.266 0.560 1
1 239 . 18 1 1 A 29 29 VAL CA C 29 57.140 59.410 -2.270 1
1 240 . 18 1 1 A 29 29 VAL CB C 29 33.000 35.072 -2.072 1
1 243 . 18 1 1 A 29 29 VAL N N 29 113.732 118.010 -4.278 1
1 244 . 18 1 1 A 30 30 SER H H 30 8.101 8.857 -0.756 1
1 245 . 18 1 1 A 30 30 SER HA H 30 5.338 4.947 0.391 1
1 248 . 18 1 1 A 30 30 SER C C 30 171.613 174.431 -2.818 1
1 249 . 18 1 1 A 30 30 SER CA C 30 54.310 58.246 -3.936 1
1 250 . 18 1 1 A 30 30 SER CB C 30 62.237 63.949 -1.712 1
1 251 . 18 1 1 A 30 30 SER N N 30 118.729 121.730 -3.001 1
1 252 . 18 1 1 A 31 31 VAL H H 31 8.780 9.552 -0.772 1
1 253 . 18 1 1 A 31 31 VAL HA H 31 5.146 5.148 -0.002 1
1 261 . 18 1 1 A 31 31 VAL C C 31 172.831 174.273 -1.442 1
1 262 . 18 1 1 A 31 31 VAL CA C 31 56.940 59.317 -2.377 1
1 263 . 18 1 1 A 31 31 VAL CB C 31 35.030 34.569 0.461 1
1 266 . 18 1 1 A 31 31 VAL N N 31 119.018 120.527 -1.509 1
1 267 . 18 1 1 A 32 32 THR H H 32 8.366 9.579 -1.213 1
1 268 . 18 1 1 A 32 32 THR HA H 32 4.498 4.925 -0.427 1
1 273 . 18 1 1 A 32 32 THR C C 32 171.480 172.603 -1.123 1
1 274 . 18 1 1 A 32 32 THR CA C 32 57.100 59.780 -2.680 1
1 275 . 18 1 1 A 32 32 THR CB C 32 67.767 72.266 -4.499 1
1 277 . 18 1 1 A 32 32 THR N N 32 115.885 118.684 -2.799 1
1 278 . 18 1 1 A 33 33 VAL H H 33 6.720 8.534 -1.814 1
1 279 . 18 1 1 A 33 33 VAL HA H 33 3.950 4.911 -0.961 1
1 287 . 18 1 1 A 33 33 VAL C C 33 169.808 173.406 -3.598 1
1 288 . 18 1 1 A 33 33 VAL CA C 33 57.990 58.983 -0.993 1
1 289 . 18 1 1 A 33 33 VAL CB C 33 32.331 34.885 -2.554 1
1 292 . 18 1 1 A 33 33 VAL N N 33 119.716 120.620 -0.904 1
1 293 . 18 1 1 A 34 34 GLU H H 34 7.670 9.174 -1.504 1
1 294 . 18 1 1 A 34 34 GLU HA H 34 4.187 4.582 -0.395 1
1 297 . 18 1 1 A 34 34 GLU C C 34 171.032 174.920 -3.888 1
1 298 . 18 1 1 A 34 34 GLU CA C 34 51.930 54.389 -2.459 1
1 299 . 18 1 1 A 34 34 GLU CB C 34 29.430 31.360 -1.930 1
1 300 . 18 1 1 A 34 34 GLU N N 34 123.182 124.347 -1.165 1
1 301 . 18 1 1 A 35 35 TYR H H 35 8.500 8.895 -0.395 1
1 302 . 18 1 1 A 35 35 TYR HA H 35 4.646 5.098 -0.452 1
1 309 . 18 1 1 A 35 35 TYR C C 35 172.817 177.233 -4.416 1
1 310 . 18 1 1 A 35 35 TYR CA C 35 55.880 57.681 -1.801 1
1 311 . 18 1 1 A 35 35 TYR CB C 35 38.300 40.790 -2.490 1
1 312 . 18 1 1 A 35 35 TYR N N 35 122.953 125.771 -2.818 1
1 313 . 18 1 1 A 36 36 THR H H 36 8.295 9.427 -1.132 1
1 314 . 18 1 1 A 36 36 THR HA H 36 3.731 3.939 -0.208 1
1 319 . 18 1 1 A 36 36 THR C C 36 175.873 175.586 0.287 1
1 320 . 18 1 1 A 36 36 THR CA C 36 65.169 66.594 -1.425 1
1 321 . 18 1 1 A 36 36 THR CB C 36 67.700 68.709 -1.009 1
1 323 . 18 1 1 A 36 36 THR N N 36 119.739 118.253 1.486 1
1 324 . 18 1 1 A 37 37 HIS H H 37 8.755 7.761 0.994 1
1 325 . 18 1 1 A 37 37 HIS HA H 37 4.807 4.578 0.229 1
1 329 . 18 1 1 A 37 37 HIS C C 37 173.381 176.058 -2.677 1
1 330 . 18 1 1 A 37 37 HIS CA C 37 53.412 58.007 -4.595 1
1 331 . 18 1 1 A 37 37 HIS CB C 37 27.137 30.609 -3.472 1
1 332 . 18 1 1 A 37 37 HIS N N 37 115.916 116.186 -0.270 1
1 333 . 18 1 1 A 38 38 GLY H H 38 7.856 7.825 0.031 1
1 334 . 18 1 1 A 38 38 GLY HA2 H 38 4.091 4.137 -0.046 1
1 335 . 18 1 1 A 38 38 GLY HA3 H 38 3.795 4.203 -0.408 1
1 336 . 18 1 1 A 38 38 GLY C C 38 174.479 174.604 -0.125 1
1 337 . 18 1 1 A 38 38 GLY CA C 38 43.935 45.328 -1.393 1
1 338 . 18 1 1 A 38 38 GLY N N 38 106.387 103.922 2.465 1
1 339 . 18 1 1 A 39 39 GLN H H 39 8.096 7.576 0.520 1
1 340 . 18 1 1 A 39 39 GLN HA H 39 4.239 4.288 -0.049 1
1 345 . 18 1 1 A 39 39 GLN C C 39 171.748 175.940 -4.192 1
1 346 . 18 1 1 A 39 39 GLN CA C 39 55.050 56.056 -1.006 1
1 347 . 18 1 1 A 39 39 GLN CB C 39 26.580 29.573 -2.993 1
1 349 . 18 1 1 A 39 39 GLN N N 39 119.846 119.017 0.829 1
1 350 . 18 1 1 A 40 40 TRP H H 40 8.286 8.690 -0.404 1
1 351 . 18 1 1 A 40 40 TRP HA H 40 4.961 4.860 0.101 1
1 358 . 18 1 1 A 40 40 TRP C C 40 172.966 175.972 -3.006 1
1 359 . 18 1 1 A 40 40 TRP CA C 40 55.210 57.209 -1.999 1
1 360 . 18 1 1 A 40 40 TRP CB C 40 28.161 30.714 -2.553 1
1 361 . 18 1 1 A 40 40 TRP N N 40 121.182 122.148 -0.966 1
1 363 . 18 1 1 A 41 41 ALA H H 41 7.947 9.102 -1.155 1
1 364 . 18 1 1 A 41 41 ALA HA H 41 4.641 4.599 0.042 1
1 368 . 18 1 1 A 41 41 ALA C C 41 174.070 177.393 -3.323 1
1 369 . 18 1 1 A 41 41 ALA CA C 41 47.995 53.490 -5.495 1
1 370 . 18 1 1 A 41 41 ALA CB C 41 18.627 21.002 -2.375 1
1 371 . 18 1 1 A 41 41 ALA N N 41 126.752 121.996 4.756 1
1 372 . 18 1 1 A 42 42 PRO HA H 42 4.240 4.207 0.033 1
1 377 . 18 1 1 A 42 42 PRO CA C 42 60.853 62.424 -1.571 1
1 378 . 18 1 1 A 42 42 PRO CB C 42 30.203 29.310 0.893 1
1 379 . 18 1 1 A 43 43 CYS H H 43 8.229 8.817 -0.588 1
1 380 . 18 1 1 A 43 43 CYS HA H 43 4.643 4.968 -0.325 1
1 383 . 18 1 1 A 43 43 CYS C C 43 173.099 171.810 1.289 1
1 384 . 18 1 1 A 43 43 CYS CA C 43 53.574 56.838 -3.264 1
1 385 . 18 1 1 A 43 43 CYS CB C 43 39.464 45.218 -5.754 1
1 386 . 18 1 1 A 43 43 CYS N N 43 119.646 121.936 -2.290 1
1 387 . 18 1 1 A 44 44 ARG H H 44 8.931 9.481 -0.550 1
1 388 . 18 1 1 A 44 44 ARG HA H 44 4.653 4.839 -0.186 1
1 395 . 18 1 1 A 44 44 ARG C C 44 172.821 174.567 -1.746 1
1 396 . 18 1 1 A 44 44 ARG CA C 44 51.850 55.414 -3.564 1
1 397 . 18 1 1 A 44 44 ARG CB C 44 30.892 34.319 -3.427 1
1 400 . 18 1 1 A 44 44 ARG N N 44 128.546 125.871 2.675 1
1 401 . 18 1 1 A 45 45 VAL H H 45 8.242 8.680 -0.438 1
1 402 . 18 1 1 A 45 45 VAL HA H 45 4.625 4.430 0.195 1
1 410 . 18 1 1 A 45 45 VAL C C 45 172.339 175.115 -2.776 1
1 411 . 18 1 1 A 45 45 VAL CA C 45 59.800 62.524 -2.724 1
1 412 . 18 1 1 A 45 45 VAL CB C 45 29.914 32.982 -3.068 1
1 415 . 18 1 1 A 45 45 VAL N N 45 123.347 125.467 -2.120 1
1 416 . 18 1 1 A 46 46 ILE H H 46 9.161 9.387 -0.226 1
1 417 . 18 1 1 A 46 46 ILE HA H 46 4.241 4.765 -0.524 1
1 427 . 18 1 1 A 46 46 ILE C C 46 174.656 175.175 -0.519 1
1 428 . 18 1 1 A 46 46 ILE CA C 46 58.660 59.910 -1.250 1
1 429 . 18 1 1 A 46 46 ILE CB C 46 37.551 39.798 -2.247 1
1 432 . 18 1 1 A 46 46 ILE N N 46 128.086 128.405 -0.319 1
1 433 . 18 1 1 A 47 47 GLU H H 47 9.214 8.651 0.563 1
1 434 . 18 1 1 A 47 47 GLU HA H 47 4.182 4.779 -0.597 1
1 439 . 18 1 1 A 47 47 GLU C C 47 174.413 174.700 -0.287 1
1 440 . 18 1 1 A 47 47 GLU CA C 47 53.820 54.095 -0.275 1
1 441 . 18 1 1 A 47 47 GLU CB C 47 25.600 29.385 -3.785 1
1 443 . 18 1 1 A 47 47 GLU N N 47 129.614 126.789 2.825 1
1 444 . 18 1 1 A 48 48 PRO HA H 48 3.872 4.389 -0.517 1
1 451 . 18 1 1 A 48 48 PRO CA C 48 62.770 63.848 -1.078 1
1 452 . 18 1 1 A 48 48 PRO CB C 48 29.241 31.361 -2.120 1
1 455 . 18 1 1 A 49 49 GLY H H 49 8.330 8.550 -0.220 1
1 456 . 18 1 1 A 49 49 GLY HA2 H 49 4.140 3.950 0.190 1
1 457 . 18 1 1 A 49 49 GLY HA3 H 49 3.702 3.987 -0.285 1
1 458 . 18 1 1 A 49 49 GLY C C 49 176.101 174.675 1.426 1
1 459 . 18 1 1 A 49 49 GLY CA C 49 43.930 45.368 -1.438 1
1 460 . 18 1 1 A 49 49 GLY N N 49 115.617 113.093 2.524 1
1 461 . 18 1 1 A 50 50 GLY H H 50 8.496 8.709 -0.213 1
1 462 . 18 1 1 A 50 50 GLY HA2 H 50 4.374 4.099 0.275 1
1 463 . 18 1 1 A 50 50 GLY HA3 H 50 3.614 4.128 -0.514 1
1 464 . 18 1 1 A 50 50 GLY C C 50 172.758 173.741 -0.983 1
1 465 . 18 1 1 A 50 50 GLY CA C 50 42.550 44.236 -1.686 1
1 466 . 18 1 1 A 50 50 GLY N N 50 108.129 108.046 0.083 1
1 467 . 18 1 1 A 51 51 TRP H H 51 8.184 8.714 -0.530 1
1 468 . 18 1 1 A 51 51 TRP HA H 51 5.778 6.412 -0.634 1
1 475 . 18 1 1 A 51 51 TRP C C 51 170.134 175.421 -5.287 1
1 476 . 18 1 1 A 51 51 TRP CA C 51 53.820 55.788 -1.968 1
1 477 . 18 1 1 A 51 51 TRP CB C 51 30.930 34.035 -3.105 1
1 478 . 18 1 1 A 51 51 TRP N N 51 117.328 120.160 -2.832 1
1 480 . 18 1 1 A 52 52 ALA H H 52 9.354 8.953 0.401 1
1 481 . 18 1 1 A 52 52 ALA HA H 52 4.654 4.939 -0.285 1
1 485 . 18 1 1 A 52 52 ALA C C 52 174.350 175.433 -1.083 1
1 486 . 18 1 1 A 52 52 ALA CA C 52 49.250 50.934 -1.684 1
1 487 . 18 1 1 A 52 52 ALA CB C 52 20.971 21.366 -0.395 1
1 488 . 18 1 1 A 52 52 ALA N N 52 122.785 123.040 -0.255 1
1 489 . 18 1 1 A 53 53 THR H H 53 8.059 8.494 -0.435 1
1 490 . 18 1 1 A 53 53 THR HA H 53 5.251 4.597 0.654 1
1 495 . 18 1 1 A 53 53 THR C C 53 173.703 173.852 -0.149 1
1 496 . 18 1 1 A 53 53 THR CA C 53 60.321 62.471 -2.150 1
1 497 . 18 1 1 A 53 53 THR CB C 53 69.150 69.115 0.035 1
1 499 . 18 1 1 A 53 53 THR N N 53 115.813 118.065 -2.252 1
1 500 . 18 1 1 A 54 54 PHE H H 54 9.370 8.402 0.968 1
1 501 . 18 1 1 A 54 54 PHE HA H 54 4.827 4.907 -0.080 1
1 508 . 18 1 1 A 54 54 PHE C C 54 171.593 174.983 -3.390 1
1 509 . 18 1 1 A 54 54 PHE CA C 54 53.813 56.542 -2.729 1
1 510 . 18 1 1 A 54 54 PHE CB C 54 40.556 42.986 -2.430 1
1 511 . 18 1 1 A 54 54 PHE N N 54 125.684 124.776 0.908 1
1 512 . 18 1 1 A 55 55 ALA H H 55 8.706 8.669 0.037 1
1 513 . 18 1 1 A 55 55 ALA HA H 55 4.362 4.157 0.205 1
1 517 . 18 1 1 A 55 55 ALA C C 55 173.468 177.907 -4.439 1
1 518 . 18 1 1 A 55 55 ALA CA C 55 52.010 52.368 -0.358 1
1 519 . 18 1 1 A 55 55 ALA CB C 55 16.740 19.126 -2.386 1
1 520 . 18 1 1 A 55 55 ALA N N 55 124.175 126.256 -2.081 1
1 521 . 18 1 1 A 56 56 GLY H H 56 7.517 8.730 -1.213 1
1 522 . 18 1 1 A 56 56 GLY HA2 H 56 4.252 4.110 0.142 1
1 523 . 18 1 1 A 56 56 GLY HA3 H 56 3.339 4.128 -0.789 1
1 524 . 18 1 1 A 56 56 GLY C C 56 178.583 173.791 4.792 1
1 525 . 18 1 1 A 56 56 GLY CA C 56 42.282 44.489 -2.207 1
1 526 . 18 1 1 A 56 56 GLY N N 56 110.256 110.929 -0.673 1
1 527 . 18 1 1 A 57 57 TYR H H 57 7.154 8.736 -1.582 1
1 528 . 18 1 1 A 57 57 TYR HA H 57 4.516 5.760 -1.244 1
1 535 . 18 1 1 A 57 57 TYR C C 57 170.587 175.714 -5.127 1
1 536 . 18 1 1 A 57 57 TYR CA C 57 55.130 57.128 -1.998 1
1 537 . 18 1 1 A 57 57 TYR CB C 57 36.127 37.955 -1.828 1
1 538 . 18 1 1 A 57 57 TYR N N 57 113.618 118.072 -4.454 1
1 539 . 18 1 1 A 58 58 GLY H H 58 8.498 8.579 -0.081 1
1 540 . 18 1 1 A 58 58 GLY HA2 H 58 3.946 4.006 -0.060 1
1 541 . 18 1 1 A 58 58 GLY HA3 H 58 3.420 4.064 -0.644 1
1 542 . 18 1 1 A 58 58 GLY C C 58 175.193 172.593 2.600 1
1 543 . 18 1 1 A 58 58 GLY CA C 58 43.806 44.764 -0.958 1
1 544 . 18 1 1 A 58 58 GLY N N 58 109.549 110.248 -0.699 1
1 545 . 18 1 1 A 59 59 THR H H 59 8.301 8.486 -0.185 1
1 546 . 18 1 1 A 59 59 THR HA H 59 4.277 4.097 0.180 1
1 547 . 18 1 1 A 59 59 THR C C 59 172.318 174.932 -2.614 1
1 548 . 18 1 1 A 59 59 THR CA C 59 60.637 63.493 -2.856 1
1 549 . 18 1 1 A 59 59 THR CB C 59 67.412 68.691 -1.279 1
1 550 . 18 1 1 A 59 59 THR N N 59 111.031 115.341 -4.310 1
1 551 . 18 1 1 A 60 60 ASP H H 60 8.414 9.033 -0.619 1
1 552 . 18 1 1 A 60 60 ASP HA H 60 4.679 4.267 0.412 1
1 555 . 18 1 1 A 60 60 ASP C C 60 173.345 175.636 -2.291 1
1 556 . 18 1 1 A 60 60 ASP CA C 60 51.030 55.465 -4.435 1
1 557 . 18 1 1 A 60 60 ASP CB C 60 38.608 39.550 -0.942 1
1 558 . 18 1 1 A 60 60 ASP N N 60 120.007 122.383 -2.376 1
1 559 . 18 1 1 A 61 61 GLY H H 61 7.967 8.191 -0.224 1
1 560 . 18 1 1 A 61 61 GLY HA2 H 61 3.550 3.921 -0.371 1
1 561 . 18 1 1 A 61 61 GLY HA3 H 61 2.879 3.988 -1.109 1
1 562 . 18 1 1 A 61 61 GLY C C 61 175.339 173.696 1.643 1
1 563 . 18 1 1 A 61 61 GLY CA C 61 44.956 44.383 0.573 1
1 564 . 18 1 1 A 61 61 GLY N N 61 108.692 107.464 1.228 1
1 565 . 18 1 1 A 62 62 ASN H H 62 8.507 8.520 -0.013 1
1 566 . 18 1 1 A 62 62 ASN HA H 62 4.455 5.697 -1.242 1
1 571 . 18 1 1 A 62 62 ASN C C 62 172.217 174.033 -1.816 1
1 572 . 18 1 1 A 62 62 ASN CA C 62 48.627 52.074 -3.447 1
1 573 . 18 1 1 A 62 62 ASN CB C 62 34.339 41.242 -6.903 1
1 574 . 18 1 1 A 62 62 ASN N N 62 120.625 118.891 1.734 1
1 576 . 18 1 1 A 63 63 TYR H H 63 6.994 9.047 -2.053 1
1 577 . 18 1 1 A 63 63 TYR HA H 63 4.477 4.940 -0.463 1
1 580 . 18 1 1 A 63 63 TYR C C 63 172.042 173.955 -1.913 1
1 581 . 18 1 1 A 63 63 TYR CA C 63 56.210 58.953 -2.743 1
1 582 . 18 1 1 A 63 63 TYR CB C 63 36.755 41.027 -4.272 1
1 583 . 18 1 1 A 63 63 TYR N N 63 116.333 121.016 -4.683 1
1 584 . 18 1 1 A 64 64 VAL H H 64 8.841 8.748 0.093 1
1 585 . 18 1 1 A 64 64 VAL HA H 64 3.689 4.131 -0.442 1
1 593 . 18 1 1 A 64 64 VAL C C 64 175.531 176.047 -0.516 1
1 594 . 18 1 1 A 64 64 VAL CA C 64 61.550 62.416 -0.866 1
1 595 . 18 1 1 A 64 64 VAL CB C 64 30.583 31.876 -1.293 1
1 598 . 18 1 1 A 64 64 VAL N N 64 123.889 126.944 -3.055 1
1 599 . 18 1 1 A 65 65 THR H H 65 8.850 9.657 -0.807 1
1 600 . 18 1 1 A 65 65 THR HA H 65 4.210 4.677 -0.467 1
1 605 . 18 1 1 A 65 65 THR C C 65 175.388 175.356 0.032 1
1 606 . 18 1 1 A 65 65 THR CA C 65 60.109 61.729 -1.620 1
1 607 . 18 1 1 A 65 65 THR CB C 65 66.710 70.364 -3.654 1
1 609 . 18 1 1 A 65 65 THR N N 65 119.739 119.163 0.576 1
1 610 . 18 1 1 A 66 66 GLY H H 66 6.907 7.464 -0.557 1
1 611 . 18 1 1 A 66 66 GLY HA2 H 66 3.769 4.377 -0.608 1
1 612 . 18 1 1 A 66 66 GLY HA3 H 66 3.583 4.387 -0.804 1
1 613 . 18 1 1 A 66 66 GLY C C 66 173.131 172.026 1.105 1
1 614 . 18 1 1 A 66 66 GLY CA C 66 42.950 44.781 -1.831 1
1 615 . 18 1 1 A 66 66 GLY N N 66 108.712 108.920 -0.208 1
1 616 . 18 1 1 A 67 67 LEU H H 67 7.723 8.916 -1.193 1
1 617 . 18 1 1 A 67 67 LEU HA H 67 4.628 4.652 -0.024 1
1 626 . 18 1 1 A 67 67 LEU C C 67 167.522 175.625 -8.103 1
1 627 . 18 1 1 A 67 67 LEU CA C 67 51.200 55.148 -3.948 1
1 628 . 18 1 1 A 67 67 LEU CB C 67 42.747 42.312 0.435 1
1 631 . 18 1 1 A 67 67 LEU N N 67 118.448 126.918 -8.470 1
1 632 . 18 1 1 A 68 68 HIS H H 68 8.003 9.188 -1.185 1
1 633 . 18 1 1 A 68 68 HIS HA H 68 4.890 4.976 -0.086 1
1 637 . 18 1 1 A 68 68 HIS C C 68 174.161 173.968 0.193 1
1 638 . 18 1 1 A 68 68 HIS CA C 68 52.180 54.410 -2.230 1
1 639 . 18 1 1 A 68 68 HIS CB C 68 31.877 33.668 -1.791 1
1 640 . 18 1 1 A 68 68 HIS N N 68 116.650 118.913 -2.263 1
1 641 . 18 1 1 A 69 69 THR H H 69 8.515 8.703 -0.188 1
1 642 . 18 1 1 A 69 69 THR HA H 69 4.808 4.428 0.380 1
1 647 . 18 1 1 A 69 69 THR C C 69 172.511 174.083 -1.572 1
1 648 . 18 1 1 A 69 69 THR CA C 69 60.130 63.074 -2.944 1
1 649 . 18 1 1 A 69 69 THR CB C 69 67.840 68.907 -1.067 1
1 651 . 18 1 1 A 69 69 THR N N 69 114.721 116.330 -1.609 1
1 652 . 18 1 1 A 70 70 CYS H H 70 7.731 9.835 -2.104 1
1 653 . 18 1 1 A 70 70 CYS HA H 70 4.786 5.158 -0.372 1
1 656 . 18 1 1 A 70 70 CYS C C 70 172.053 172.872 -0.819 1
1 657 . 18 1 1 A 70 70 CYS CA C 70 51.950 55.093 -3.143 1
1 658 . 18 1 1 A 70 70 CYS CB C 70 43.320 44.470 -1.150 1
1 659 . 18 1 1 A 70 70 CYS N N 70 117.575 126.608 -9.033 1
1 660 . 18 1 1 A 71 71 ASP H H 71 8.370 8.995 -0.625 1
1 661 . 18 1 1 A 71 71 ASP HA H 71 4.993 5.253 -0.260 1
1 664 . 18 1 1 A 71 71 ASP C C 71 169.692 174.087 -4.395 1
1 665 . 18 1 1 A 71 71 ASP CA C 71 48.815 51.348 -2.533 1
1 666 . 18 1 1 A 71 71 ASP CB C 71 40.118 43.668 -3.550 1
1 667 . 18 1 1 A 71 71 ASP N N 71 120.975 121.504 -0.529 1
1 668 . 18 1 1 A 72 72 PRO HA H 72 4.145 4.414 -0.269 1
1 675 . 18 1 1 A 72 72 PRO CA C 72 61.360 63.142 -1.782 1
1 676 . 18 1 1 A 72 72 PRO CB C 72 30.141 31.344 -1.203 1
1 679 . 18 1 1 A 73 73 ALA H H 73 8.169 8.199 -0.030 1
1 680 . 18 1 1 A 73 73 ALA HA H 73 4.247 4.571 -0.324 1
1 684 . 18 1 1 A 73 73 ALA C C 73 174.353 176.020 -1.667 1
1 685 . 18 1 1 A 73 73 ALA CA C 73 50.370 51.698 -1.328 1
1 686 . 18 1 1 A 73 73 ALA CB C 73 17.230 18.865 -1.635 1
1 687 . 18 1 1 A 73 73 ALA N N 73 122.390 125.303 -2.913 1
1 688 . 18 1 1 A 74 74 THR H H 74 7.704 8.951 -1.247 1
1 689 . 18 1 1 A 74 74 THR C C 74 175.770 174.932 0.838 1
1 690 . 18 1 1 A 74 74 THR CA C 74 57.794 60.777 -2.983 1
1 691 . 18 1 1 A 74 74 THR CB C 74 67.994 69.188 -1.194 1
1 692 . 18 1 1 A 74 74 THR N N 74 114.834 117.815 -2.981 1
1 693 . 18 1 1 A 75 75 PRO HA H 75 4.386 4.401 -0.015 1
1 700 . 18 1 1 A 75 75 PRO CA C 75 61.440 66.023 -4.583 1
1 701 . 18 1 1 A 75 75 PRO CB C 75 30.088 31.788 -1.700 1
1 704 . 18 1 1 A 76 76 SER H H 76 8.209 7.984 0.225 1
1 705 . 18 1 1 A 76 76 SER HA H 76 4.373 4.653 -0.280 1
1 708 . 18 1 1 A 76 76 SER C C 76 175.051 174.120 0.931 1
1 709 . 18 1 1 A 76 76 SER CA C 76 56.360 58.285 -1.925 1
1 710 . 18 1 1 A 76 76 SER CB C 76 61.939 64.107 -2.168 1
1 711 . 18 1 1 A 76 76 SER N N 76 115.319 110.247 5.072 1
1 712 . 18 1 1 A 77 77 GLY H H 77 8.124 8.333 -0.209 1
1 713 . 18 1 1 A 77 77 GLY HA2 H 77 4.093 4.215 -0.122 1
1 714 . 18 1 1 A 77 77 GLY HA3 H 77 3.577 4.223 -0.646 1
1 715 . 18 1 1 A 77 77 GLY C C 77 173.087 172.346 0.741 1
1 716 . 18 1 1 A 77 77 GLY CA C 77 43.555 45.675 -2.120 1
1 717 . 18 1 1 A 77 77 GLY N N 77 110.791 111.051 -0.260 1
1 3 . 19 1 1 A 1 1 ALA HA H 5 4.015 4.287 -0.272 1
1 7 . 19 1 1 A 2 2 THR H H 6 7.608 8.921 -1.313 1
1 8 . 19 1 1 A 2 2 THR C C 2 174.815 174.689 0.126 1
1 9 . 19 1 1 A 2 2 THR CA C 2 56.801 63.593 -6.792 1
1 10 . 19 1 1 A 2 2 THR CB C 2 68.857 69.808 -0.951 1
1 11 . 19 1 1 A 2 2 THR N N 6 113.279 123.982 -10.703 1
1 12 . 19 1 1 A 5 5 PRO HA H 5 4.493 4.287 0.206 1
1 19 . 19 1 1 A 5 5 PRO CA C 5 61.290 63.306 -2.016 1
1 20 . 19 1 1 A 5 5 PRO CB C 5 30.190 31.550 -1.360 1
1 23 . 19 1 1 A 6 6 VAL H H 6 7.794 8.921 -1.127 1
1 24 . 19 1 1 A 6 6 VAL HA H 6 3.880 3.646 0.234 1
1 32 . 19 1 1 A 6 6 VAL C C 6 175.059 174.810 0.249 1
1 33 . 19 1 1 A 6 6 VAL CA C 6 59.560 63.034 -3.474 1
1 34 . 19 1 1 A 6 6 VAL CB C 6 30.680 30.911 -0.231 1
1 37 . 19 1 1 A 6 6 VAL N N 6 118.616 123.982 -5.366 1
1 38 . 19 1 1 A 7 7 ALA H H 7 8.029 8.696 -0.667 1
1 39 . 19 1 1 A 7 7 ALA HA H 7 4.167 3.973 0.194 1
1 43 . 19 1 1 A 7 7 ALA C C 7 173.395 176.675 -3.280 1
1 44 . 19 1 1 A 7 7 ALA CA C 7 50.780 54.170 -3.390 1
1 45 . 19 1 1 A 7 7 ALA CB C 7 18.292 17.630 0.662 1
1 46 . 19 1 1 A 7 7 ALA N N 7 126.653 127.651 -0.998 1
1 47 . 19 1 1 A 8 8 GLU H H 8 8.587 8.631 -0.044 1
1 48 . 19 1 1 A 8 8 GLU HA H 8 4.085 3.745 0.340 1
1 53 . 19 1 1 A 8 8 GLU C C 8 176.717 176.865 -0.148 1
1 54 . 19 1 1 A 8 8 GLU CA C 8 56.520 58.659 -2.139 1
1 55 . 19 1 1 A 8 8 GLU CB C 8 27.393 27.126 0.267 1
1 57 . 19 1 1 A 8 8 GLU N N 8 118.049 111.705 6.344 1
1 58 . 19 1 1 A 9 9 CYS H H 9 7.348 8.248 -0.900 1
1 59 . 19 1 1 A 9 9 CYS HA H 9 4.422 4.574 -0.152 1
1 62 . 19 1 1 A 9 9 CYS C C 9 173.399 173.745 -0.346 1
1 63 . 19 1 1 A 9 9 CYS CA C 9 51.850 57.669 -5.819 1
1 64 . 19 1 1 A 9 9 CYS CB C 9 38.617 43.008 -4.391 1
1 65 . 19 1 1 A 9 9 CYS N N 9 109.798 117.018 -7.220 1
1 66 . 19 1 1 A 10 10 VAL H H 10 7.682 7.420 0.262 1
1 67 . 19 1 1 A 10 10 VAL HA H 10 4.483 4.404 0.079 1
1 75 . 19 1 1 A 10 10 VAL C C 10 172.261 174.845 -2.584 1
1 76 . 19 1 1 A 10 10 VAL CA C 10 60.360 61.526 -1.166 1
1 77 . 19 1 1 A 10 10 VAL CB C 10 29.445 33.128 -3.683 1
1 80 . 19 1 1 A 10 10 VAL N N 10 125.088 121.234 3.854 1
1 81 . 19 1 1 A 11 11 GLU H H 11 8.322 8.956 -0.634 1
1 82 . 19 1 1 A 11 11 GLU HA H 11 4.644 4.843 -0.199 1
1 87 . 19 1 1 A 11 11 GLU C C 11 172.004 174.815 -2.811 1
1 88 . 19 1 1 A 11 11 GLU CA C 11 51.852 54.454 -2.602 1
1 89 . 19 1 1 A 11 11 GLU CB C 11 31.925 33.804 -1.879 1
1 91 . 19 1 1 A 11 11 GLU N N 11 124.099 126.735 -2.636 1
1 92 . 19 1 1 A 12 12 TYR H H 12 7.843 8.638 -0.795 1
1 93 . 19 1 1 A 12 12 TYR HA H 12 5.697 6.120 -0.423 1
1 100 . 19 1 1 A 12 12 TYR C C 12 172.281 174.278 -1.997 1
1 101 . 19 1 1 A 12 12 TYR CA C 12 53.160 55.871 -2.711 1
1 102 . 19 1 1 A 12 12 TYR CB C 12 40.610 40.912 -0.302 1
1 103 . 19 1 1 A 12 12 TYR N N 12 115.283 125.600 -10.317 1
1 104 . 19 1 1 A 13 13 PHE H H 13 9.057 8.813 0.244 1
1 105 . 19 1 1 A 13 13 PHE HA H 13 4.750 5.136 -0.386 1
1 106 . 19 1 1 A 13 13 PHE C C 13 170.766 173.512 -2.746 1
1 107 . 19 1 1 A 13 13 PHE CA C 13 54.815 57.021 -2.206 1
1 108 . 19 1 1 A 13 13 PHE CB C 13 39.947 42.973 -3.026 1
1 109 . 19 1 1 A 13 13 PHE N N 13 119.347 120.478 -1.131 1
1 110 . 19 1 1 A 14 14 GLN HA H 14 5.302 4.682 0.620 1
1 113 . 19 1 1 A 14 14 GLN CA C 14 53.700 54.642 -0.942 1
1 114 . 19 1 1 A 14 14 GLN CB C 14 30.685 29.149 1.536 1
1 115 . 19 1 1 A 15 15 SER H H 15 8.657 8.762 -0.105 1
1 116 . 19 1 1 A 15 15 SER HA H 15 4.715 4.615 0.100 1
1 117 . 19 1 1 A 15 15 SER C C 15 172.296 173.657 -1.361 1
1 118 . 19 1 1 A 15 15 SER CA C 15 54.708 56.600 -1.892 1
1 119 . 19 1 1 A 15 15 SER CB C 15 64.456 63.924 0.532 1
1 120 . 19 1 1 A 15 15 SER N N 15 119.667 117.725 1.942 1
1 121 . 19 1 1 A 17 17 ARG HA H 17 3.413 3.925 -0.512 1
1 124 . 19 1 1 A 17 17 ARG CA C 17 55.648 57.308 -1.660 1
1 125 . 19 1 1 A 17 17 ARG CB C 17 29.496 26.865 2.631 1
1 126 . 19 1 1 A 18 18 TYR H H 18 6.870 7.868 -0.998 1
1 127 . 19 1 1 A 18 18 TYR HA H 18 5.233 4.905 0.328 1
1 134 . 19 1 1 A 18 18 TYR C C 18 174.107 174.359 -0.252 1
1 135 . 19 1 1 A 18 18 TYR CA C 18 54.231 58.024 -3.793 1
1 136 . 19 1 1 A 18 18 TYR CB C 18 40.725 40.617 0.108 1
1 137 . 19 1 1 A 18 18 TYR N N 18 114.525 118.784 -4.259 1
1 138 . 19 1 1 A 19 19 THR H H 19 8.684 9.244 -0.560 1
1 139 . 19 1 1 A 19 19 THR HA H 19 5.061 5.030 0.031 1
1 144 . 19 1 1 A 19 19 THR C C 19 173.054 173.375 -0.321 1
1 145 . 19 1 1 A 19 19 THR CA C 19 60.704 62.349 -1.645 1
1 146 . 19 1 1 A 19 19 THR CB C 19 67.997 68.194 -0.197 1
1 148 . 19 1 1 A 19 19 THR N N 19 119.368 123.822 -4.454 1
1 149 . 19 1 1 A 20 20 ASP H H 20 8.975 8.553 0.422 1
1 150 . 19 1 1 A 20 20 ASP HA H 20 5.690 4.774 0.916 1
1 153 . 19 1 1 A 20 20 ASP C C 20 171.832 174.521 -2.689 1
1 154 . 19 1 1 A 20 20 ASP CA C 20 52.039 52.836 -0.797 1
1 155 . 19 1 1 A 20 20 ASP CB C 20 42.292 40.429 1.863 1
1 156 . 19 1 1 A 20 20 ASP N N 20 128.307 126.536 1.771 1
1 157 . 19 1 1 A 21 21 VAL H H 21 9.496 8.334 1.162 1
1 158 . 19 1 1 A 21 21 VAL HA H 21 4.775 4.705 0.070 1
1 166 . 19 1 1 A 21 21 VAL C C 21 173.611 174.537 -0.926 1
1 167 . 19 1 1 A 21 21 VAL CA C 21 59.478 60.742 -1.264 1
1 168 . 19 1 1 A 21 21 VAL CB C 21 32.243 33.419 -1.176 1
1 171 . 19 1 1 A 21 21 VAL N N 21 123.356 125.262 -1.906 1
1 172 . 19 1 1 A 22 22 HIS H H 22 8.973 8.578 0.395 1
1 173 . 19 1 1 A 22 22 HIS HA H 22 4.622 5.914 -1.292 1
1 177 . 19 1 1 A 22 22 HIS C C 22 171.626 173.684 -2.058 1
1 178 . 19 1 1 A 22 22 HIS CA C 22 49.980 54.374 -4.394 1
1 179 . 19 1 1 A 22 22 HIS CB C 22 28.390 31.574 -3.184 1
1 180 . 19 1 1 A 22 22 HIS N N 22 124.534 127.318 -2.784 1
1 181 . 19 1 1 A 23 23 ASN H H 23 8.317 9.022 -0.705 1
1 182 . 19 1 1 A 23 23 ASN HA H 23 4.517 4.743 -0.226 1
1 185 . 19 1 1 A 23 23 ASN C C 23 171.836 176.243 -4.407 1
1 186 . 19 1 1 A 23 23 ASN CA C 23 49.380 53.535 -4.155 1
1 187 . 19 1 1 A 23 23 ASN CB C 23 36.018 39.780 -3.762 1
1 188 . 19 1 1 A 23 23 ASN N N 23 123.095 124.245 -1.150 1
1 189 . 19 1 1 A 24 24 GLY H H 24 7.602 8.685 -1.083 1
1 190 . 19 1 1 A 24 24 GLY HA2 H 24 4.051 4.148 -0.097 1
1 191 . 19 1 1 A 24 24 GLY HA3 H 24 3.381 4.153 -0.772 1
1 192 . 19 1 1 A 24 24 GLY C C 24 171.684 174.209 -2.525 1
1 193 . 19 1 1 A 24 24 GLY CA C 24 42.936 45.466 -2.530 1
1 194 . 19 1 1 A 24 24 GLY N N 24 113.217 110.686 2.531 1
1 195 . 19 1 1 A 25 25 CYS H H 25 8.145 7.952 0.193 1
1 196 . 19 1 1 A 25 25 CYS HA H 25 4.544 4.684 -0.140 1
1 199 . 19 1 1 A 25 25 CYS C C 25 172.305 173.666 -1.361 1
1 200 . 19 1 1 A 25 25 CYS CA C 25 50.790 56.054 -5.264 1
1 201 . 19 1 1 A 25 25 CYS CB C 25 39.528 43.485 -3.957 1
1 202 . 19 1 1 A 25 25 CYS N N 25 119.843 119.055 0.788 1
1 203 . 19 1 1 A 26 26 ALA H H 26 8.111 8.697 -0.586 1
1 204 . 19 1 1 A 26 26 ALA HA H 26 4.084 4.214 -0.130 1
1 208 . 19 1 1 A 26 26 ALA C C 26 172.481 176.852 -4.371 1
1 209 . 19 1 1 A 26 26 ALA CA C 26 50.950 53.734 -2.784 1
1 210 . 19 1 1 A 26 26 ALA CB C 26 17.251 19.253 -2.002 1
1 211 . 19 1 1 A 26 26 ALA N N 26 119.852 124.861 -5.009 1
1 212 . 19 1 1 A 27 27 ASP H H 27 6.938 7.725 -0.787 1
1 213 . 19 1 1 A 27 27 ASP HA H 27 4.787 5.303 -0.516 1
1 216 . 19 1 1 A 27 27 ASP C C 27 174.263 174.979 -0.716 1
1 217 . 19 1 1 A 27 27 ASP CA C 27 49.550 52.096 -2.546 1
1 218 . 19 1 1 A 27 27 ASP CB C 27 42.250 44.240 -1.990 1
1 219 . 19 1 1 A 27 27 ASP N N 27 113.761 116.971 -3.210 1
1 220 . 19 1 1 A 28 28 ALA H H 28 8.454 8.375 0.079 1
1 221 . 19 1 1 A 28 28 ALA HA H 28 3.986 4.766 -0.780 1
1 225 . 19 1 1 A 28 28 ALA C C 28 173.188 177.704 -4.516 1
1 226 . 19 1 1 A 28 28 ALA CA C 28 50.550 52.364 -1.814 1
1 227 . 19 1 1 A 28 28 ALA CB C 28 16.820 18.992 -2.172 1
1 228 . 19 1 1 A 28 28 ALA N N 28 121.635 123.170 -1.535 1
1 229 . 19 1 1 A 29 29 VAL H H 29 7.742 8.857 -1.115 1
1 230 . 19 1 1 A 29 29 VAL HA H 29 4.553 4.855 -0.302 1
1 238 . 19 1 1 A 29 29 VAL C C 29 174.826 174.279 0.547 1
1 239 . 19 1 1 A 29 29 VAL CA C 29 57.140 59.485 -2.345 1
1 240 . 19 1 1 A 29 29 VAL CB C 29 33.000 34.987 -1.987 1
1 243 . 19 1 1 A 29 29 VAL N N 29 113.732 118.199 -4.467 1
1 244 . 19 1 1 A 30 30 SER H H 30 8.101 8.849 -0.748 1
1 245 . 19 1 1 A 30 30 SER HA H 30 5.338 4.878 0.460 1
1 248 . 19 1 1 A 30 30 SER C C 30 171.613 174.389 -2.776 1
1 249 . 19 1 1 A 30 30 SER CA C 30 54.310 58.267 -3.957 1
1 250 . 19 1 1 A 30 30 SER CB C 30 62.237 63.916 -1.679 1
1 251 . 19 1 1 A 30 30 SER N N 30 118.729 122.146 -3.417 1
1 252 . 19 1 1 A 31 31 VAL H H 31 8.780 9.523 -0.743 1
1 253 . 19 1 1 A 31 31 VAL HA H 31 5.146 5.319 -0.173 1
1 261 . 19 1 1 A 31 31 VAL C C 31 172.831 174.261 -1.430 1
1 262 . 19 1 1 A 31 31 VAL CA C 31 56.940 59.615 -2.675 1
1 263 . 19 1 1 A 31 31 VAL CB C 31 35.030 34.932 0.098 1
1 266 . 19 1 1 A 31 31 VAL N N 31 119.018 120.664 -1.646 1
1 267 . 19 1 1 A 32 32 THR H H 32 8.366 8.874 -0.508 1
1 268 . 19 1 1 A 32 32 THR HA H 32 4.498 4.751 -0.253 1
1 273 . 19 1 1 A 32 32 THR C C 32 171.480 172.414 -0.934 1
1 274 . 19 1 1 A 32 32 THR CA C 32 57.100 60.320 -3.220 1
1 275 . 19 1 1 A 32 32 THR CB C 32 67.767 70.824 -3.057 1
1 277 . 19 1 1 A 32 32 THR N N 32 115.885 116.666 -0.781 1
1 278 . 19 1 1 A 33 33 VAL H H 33 6.720 8.414 -1.694 1
1 279 . 19 1 1 A 33 33 VAL HA H 33 3.950 4.988 -1.038 1
1 287 . 19 1 1 A 33 33 VAL C C 33 169.808 173.222 -3.414 1
1 288 . 19 1 1 A 33 33 VAL CA C 33 57.990 58.751 -0.761 1
1 289 . 19 1 1 A 33 33 VAL CB C 33 32.331 35.051 -2.720 1
1 292 . 19 1 1 A 33 33 VAL N N 33 119.716 120.038 -0.322 1
1 293 . 19 1 1 A 34 34 GLU H H 34 7.670 8.665 -0.995 1
1 294 . 19 1 1 A 34 34 GLU HA H 34 4.187 4.757 -0.570 1
1 297 . 19 1 1 A 34 34 GLU C C 34 171.032 174.935 -3.903 1
1 298 . 19 1 1 A 34 34 GLU CA C 34 51.930 54.145 -2.215 1
1 299 . 19 1 1 A 34 34 GLU CB C 34 29.430 32.324 -2.894 1
1 300 . 19 1 1 A 34 34 GLU N N 34 123.182 123.119 0.063 1
1 301 . 19 1 1 A 35 35 TYR H H 35 8.500 8.786 -0.286 1
1 302 . 19 1 1 A 35 35 TYR HA H 35 4.646 4.919 -0.273 1
1 309 . 19 1 1 A 35 35 TYR C C 35 172.817 177.309 -4.492 1
1 310 . 19 1 1 A 35 35 TYR CA C 35 55.880 57.961 -2.081 1
1 311 . 19 1 1 A 35 35 TYR CB C 35 38.300 40.306 -2.006 1
1 312 . 19 1 1 A 35 35 TYR N N 35 122.953 125.937 -2.984 1
1 313 . 19 1 1 A 36 36 THR H H 36 8.295 9.352 -1.057 1
1 314 . 19 1 1 A 36 36 THR HA H 36 3.731 3.932 -0.201 1
1 319 . 19 1 1 A 36 36 THR C C 36 175.873 175.668 0.205 1
1 320 . 19 1 1 A 36 36 THR CA C 36 65.169 67.106 -1.937 1
1 321 . 19 1 1 A 36 36 THR CB C 36 67.700 68.990 -1.290 1
1 323 . 19 1 1 A 36 36 THR N N 36 119.739 117.807 1.932 1
1 324 . 19 1 1 A 37 37 HIS H H 37 8.755 7.918 0.837 1
1 325 . 19 1 1 A 37 37 HIS HA H 37 4.807 4.516 0.291 1
1 329 . 19 1 1 A 37 37 HIS C C 37 173.381 176.135 -2.754 1
1 330 . 19 1 1 A 37 37 HIS CA C 37 53.412 58.534 -5.122 1
1 331 . 19 1 1 A 37 37 HIS CB C 37 27.137 30.650 -3.513 1
1 332 . 19 1 1 A 37 37 HIS N N 37 115.916 115.892 0.024 1
1 333 . 19 1 1 A 38 38 GLY H H 38 7.856 7.964 -0.108 1
1 334 . 19 1 1 A 38 38 GLY HA2 H 38 4.091 4.112 -0.021 1
1 335 . 19 1 1 A 38 38 GLY HA3 H 38 3.795 4.145 -0.350 1
1 336 . 19 1 1 A 38 38 GLY C C 38 174.479 174.589 -0.110 1
1 337 . 19 1 1 A 38 38 GLY CA C 38 43.935 45.229 -1.294 1
1 338 . 19 1 1 A 38 38 GLY N N 38 106.387 104.038 2.349 1
1 339 . 19 1 1 A 39 39 GLN H H 39 8.096 7.603 0.493 1
1 340 . 19 1 1 A 39 39 GLN HA H 39 4.239 4.316 -0.077 1
1 345 . 19 1 1 A 39 39 GLN C C 39 171.748 175.446 -3.698 1
1 346 . 19 1 1 A 39 39 GLN CA C 39 55.050 56.008 -0.958 1
1 347 . 19 1 1 A 39 39 GLN CB C 39 26.580 29.560 -2.980 1
1 349 . 19 1 1 A 39 39 GLN N N 39 119.846 119.060 0.786 1
1 350 . 19 1 1 A 40 40 TRP H H 40 8.286 8.810 -0.524 1
1 351 . 19 1 1 A 40 40 TRP HA H 40 4.961 4.726 0.235 1
1 358 . 19 1 1 A 40 40 TRP C C 40 172.966 176.166 -3.200 1
1 359 . 19 1 1 A 40 40 TRP CA C 40 55.210 56.538 -1.328 1
1 360 . 19 1 1 A 40 40 TRP CB C 40 28.161 29.367 -1.206 1
1 361 . 19 1 1 A 40 40 TRP N N 40 121.182 124.888 -3.706 1
1 363 . 19 1 1 A 41 41 ALA H H 41 7.947 8.419 -0.472 1
1 364 . 19 1 1 A 41 41 ALA HA H 41 4.641 4.290 0.351 1
1 368 . 19 1 1 A 41 41 ALA C C 41 174.070 175.887 -1.817 1
1 369 . 19 1 1 A 41 41 ALA CA C 41 47.995 50.717 -2.722 1
1 370 . 19 1 1 A 41 41 ALA CB C 41 18.627 19.701 -1.074 1
1 371 . 19 1 1 A 41 41 ALA N N 41 126.752 130.020 -3.268 1
1 372 . 19 1 1 A 42 42 PRO HA H 42 4.240 4.312 -0.072 1
1 377 . 19 1 1 A 42 42 PRO CA C 42 60.853 62.575 -1.722 1
1 378 . 19 1 1 A 42 42 PRO CB C 42 30.203 29.202 1.001 1
1 379 . 19 1 1 A 43 43 CYS H H 43 8.229 7.366 0.863 1
1 380 . 19 1 1 A 43 43 CYS HA H 43 4.643 5.162 -0.519 1
1 383 . 19 1 1 A 43 43 CYS C C 43 173.099 171.886 1.213 1
1 384 . 19 1 1 A 43 43 CYS CA C 43 53.574 56.591 -3.017 1
1 385 . 19 1 1 A 43 43 CYS CB C 43 39.464 45.880 -6.416 1
1 386 . 19 1 1 A 43 43 CYS N N 43 119.646 119.416 0.230 1
1 387 . 19 1 1 A 44 44 ARG H H 44 8.931 9.439 -0.508 1
1 388 . 19 1 1 A 44 44 ARG HA H 44 4.653 4.750 -0.097 1
1 395 . 19 1 1 A 44 44 ARG C C 44 172.821 174.364 -1.543 1
1 396 . 19 1 1 A 44 44 ARG CA C 44 51.850 55.669 -3.819 1
1 397 . 19 1 1 A 44 44 ARG CB C 44 30.892 34.114 -3.222 1
1 400 . 19 1 1 A 44 44 ARG N N 44 128.546 125.858 2.688 1
1 401 . 19 1 1 A 45 45 VAL H H 45 8.242 8.684 -0.442 1
1 402 . 19 1 1 A 45 45 VAL HA H 45 4.625 4.489 0.136 1
1 410 . 19 1 1 A 45 45 VAL C C 45 172.339 174.812 -2.473 1
1 411 . 19 1 1 A 45 45 VAL CA C 45 59.800 62.292 -2.492 1
1 412 . 19 1 1 A 45 45 VAL CB C 45 29.914 33.235 -3.321 1
1 415 . 19 1 1 A 45 45 VAL N N 45 123.347 125.558 -2.211 1
1 416 . 19 1 1 A 46 46 ILE H H 46 9.161 9.346 -0.185 1
1 417 . 19 1 1 A 46 46 ILE HA H 46 4.241 4.941 -0.700 1
1 427 . 19 1 1 A 46 46 ILE C C 46 174.656 174.814 -0.158 1
1 428 . 19 1 1 A 46 46 ILE CA C 46 58.660 59.580 -0.920 1
1 429 . 19 1 1 A 46 46 ILE CB C 46 37.551 40.250 -2.699 1
1 432 . 19 1 1 A 46 46 ILE N N 46 128.086 128.432 -0.346 1
1 433 . 19 1 1 A 47 47 GLU H H 47 9.214 8.577 0.637 1
1 434 . 19 1 1 A 47 47 GLU HA H 47 4.182 4.777 -0.595 1
1 439 . 19 1 1 A 47 47 GLU C C 47 174.413 174.670 -0.257 1
1 440 . 19 1 1 A 47 47 GLU CA C 47 53.820 53.997 -0.177 1
1 441 . 19 1 1 A 47 47 GLU CB C 47 25.600 29.347 -3.747 1
1 443 . 19 1 1 A 47 47 GLU N N 47 129.614 126.410 3.204 1
1 444 . 19 1 1 A 48 48 PRO HA H 48 3.872 4.406 -0.534 1
1 451 . 19 1 1 A 48 48 PRO CA C 48 62.770 63.810 -1.040 1
1 452 . 19 1 1 A 48 48 PRO CB C 48 29.241 31.340 -2.099 1
1 455 . 19 1 1 A 49 49 GLY H H 49 8.330 8.919 -0.589 1
1 456 . 19 1 1 A 49 49 GLY HA2 H 49 4.140 3.997 0.143 1
1 457 . 19 1 1 A 49 49 GLY HA3 H 49 3.702 4.039 -0.337 1
1 458 . 19 1 1 A 49 49 GLY C C 49 176.101 174.465 1.636 1
1 459 . 19 1 1 A 49 49 GLY CA C 49 43.930 45.397 -1.467 1
1 460 . 19 1 1 A 49 49 GLY N N 49 115.617 113.090 2.527 1
1 461 . 19 1 1 A 50 50 GLY H H 50 8.496 8.659 -0.163 1
1 462 . 19 1 1 A 50 50 GLY HA2 H 50 4.374 4.112 0.262 1
1 463 . 19 1 1 A 50 50 GLY HA3 H 50 3.614 4.138 -0.524 1
1 464 . 19 1 1 A 50 50 GLY C C 50 172.758 173.668 -0.910 1
1 465 . 19 1 1 A 50 50 GLY CA C 50 42.550 44.296 -1.746 1
1 466 . 19 1 1 A 50 50 GLY N N 50 108.129 108.213 -0.084 1
1 467 . 19 1 1 A 51 51 TRP H H 51 8.184 8.733 -0.549 1
1 468 . 19 1 1 A 51 51 TRP HA H 51 5.778 6.432 -0.654 1
1 475 . 19 1 1 A 51 51 TRP C C 51 170.134 175.451 -5.317 1
1 476 . 19 1 1 A 51 51 TRP CA C 51 53.820 55.781 -1.961 1
1 477 . 19 1 1 A 51 51 TRP CB C 51 30.930 34.023 -3.093 1
1 478 . 19 1 1 A 51 51 TRP N N 51 117.328 120.388 -3.060 1
1 480 . 19 1 1 A 52 52 ALA H H 52 9.354 8.913 0.441 1
1 481 . 19 1 1 A 52 52 ALA HA H 52 4.654 4.845 -0.191 1
1 485 . 19 1 1 A 52 52 ALA C C 52 174.350 175.491 -1.141 1
1 486 . 19 1 1 A 52 52 ALA CA C 52 49.250 50.986 -1.736 1
1 487 . 19 1 1 A 52 52 ALA CB C 52 20.971 21.116 -0.145 1
1 488 . 19 1 1 A 52 52 ALA N N 52 122.785 123.193 -0.408 1
1 489 . 19 1 1 A 53 53 THR H H 53 8.059 8.478 -0.419 1
1 490 . 19 1 1 A 53 53 THR HA H 53 5.251 4.482 0.769 1
1 495 . 19 1 1 A 53 53 THR C C 53 173.703 173.900 -0.197 1
1 496 . 19 1 1 A 53 53 THR CA C 53 60.321 62.494 -2.173 1
1 497 . 19 1 1 A 53 53 THR CB C 53 69.150 69.116 0.034 1
1 499 . 19 1 1 A 53 53 THR N N 53 115.813 117.748 -1.935 1
1 500 . 19 1 1 A 54 54 PHE H H 54 9.370 8.758 0.612 1
1 501 . 19 1 1 A 54 54 PHE HA H 54 4.827 4.900 -0.073 1
1 508 . 19 1 1 A 54 54 PHE C C 54 171.593 174.975 -3.382 1
1 509 . 19 1 1 A 54 54 PHE CA C 54 53.813 56.597 -2.784 1
1 510 . 19 1 1 A 54 54 PHE CB C 54 40.556 43.117 -2.561 1
1 511 . 19 1 1 A 54 54 PHE N N 54 125.684 123.854 1.830 1
1 512 . 19 1 1 A 55 55 ALA H H 55 8.706 8.705 0.001 1
1 513 . 19 1 1 A 55 55 ALA HA H 55 4.362 4.308 0.054 1
1 517 . 19 1 1 A 55 55 ALA C C 55 173.468 178.038 -4.570 1
1 518 . 19 1 1 A 55 55 ALA CA C 55 52.010 52.255 -0.245 1
1 519 . 19 1 1 A 55 55 ALA CB C 55 16.740 19.155 -2.415 1
1 520 . 19 1 1 A 55 55 ALA N N 55 124.175 126.181 -2.006 1
1 521 . 19 1 1 A 56 56 GLY H H 56 7.517 8.749 -1.232 1
1 522 . 19 1 1 A 56 56 GLY HA2 H 56 4.252 4.139 0.113 1
1 523 . 19 1 1 A 56 56 GLY HA3 H 56 3.339 4.232 -0.893 1
1 524 . 19 1 1 A 56 56 GLY C C 56 178.583 173.115 5.468 1
1 525 . 19 1 1 A 56 56 GLY CA C 56 42.282 44.542 -2.260 1
1 526 . 19 1 1 A 56 56 GLY N N 56 110.256 110.677 -0.421 1
1 527 . 19 1 1 A 57 57 TYR H H 57 7.154 8.610 -1.456 1
1 528 . 19 1 1 A 57 57 TYR HA H 57 4.516 5.721 -1.205 1
1 535 . 19 1 1 A 57 57 TYR C C 57 170.587 176.093 -5.506 1
1 536 . 19 1 1 A 57 57 TYR CA C 57 55.130 57.010 -1.880 1
1 537 . 19 1 1 A 57 57 TYR CB C 57 36.127 38.150 -2.023 1
1 538 . 19 1 1 A 57 57 TYR N N 57 113.618 117.123 -3.505 1
1 539 . 19 1 1 A 58 58 GLY H H 58 8.498 8.565 -0.067 1
1 540 . 19 1 1 A 58 58 GLY HA2 H 58 3.946 4.026 -0.080 1
1 541 . 19 1 1 A 58 58 GLY HA3 H 58 3.420 4.105 -0.685 1
1 542 . 19 1 1 A 58 58 GLY C C 58 175.193 172.970 2.223 1
1 543 . 19 1 1 A 58 58 GLY CA C 58 43.806 44.525 -0.719 1
1 544 . 19 1 1 A 58 58 GLY N N 58 109.549 111.004 -1.455 1
1 545 . 19 1 1 A 59 59 THR H H 59 8.301 8.437 -0.136 1
1 546 . 19 1 1 A 59 59 THR HA H 59 4.277 3.899 0.378 1
1 547 . 19 1 1 A 59 59 THR C C 59 172.318 175.142 -2.824 1
1 548 . 19 1 1 A 59 59 THR CA C 59 60.637 64.007 -3.370 1
1 549 . 19 1 1 A 59 59 THR CB C 59 67.412 68.406 -0.994 1
1 550 . 19 1 1 A 59 59 THR N N 59 111.031 114.930 -3.899 1
1 551 . 19 1 1 A 60 60 ASP H H 60 8.414 9.060 -0.646 1
1 552 . 19 1 1 A 60 60 ASP HA H 60 4.679 4.235 0.444 1
1 555 . 19 1 1 A 60 60 ASP C C 60 173.345 175.120 -1.775 1
1 556 . 19 1 1 A 60 60 ASP CA C 60 51.030 54.902 -3.872 1
1 557 . 19 1 1 A 60 60 ASP CB C 60 38.608 39.441 -0.833 1
1 558 . 19 1 1 A 60 60 ASP N N 60 120.007 125.201 -5.194 1
1 559 . 19 1 1 A 61 61 GLY H H 61 7.967 7.947 0.020 1
1 560 . 19 1 1 A 61 61 GLY HA2 H 61 3.550 4.000 -0.450 1
1 561 . 19 1 1 A 61 61 GLY HA3 H 61 2.879 4.095 -1.216 1
1 562 . 19 1 1 A 61 61 GLY C C 61 175.339 172.700 2.639 1
1 563 . 19 1 1 A 61 61 GLY CA C 61 44.956 45.658 -0.702 1
1 564 . 19 1 1 A 61 61 GLY N N 61 108.692 105.281 3.411 1
1 565 . 19 1 1 A 62 62 ASN H H 62 8.507 8.576 -0.069 1
1 566 . 19 1 1 A 62 62 ASN HA H 62 4.455 5.625 -1.170 1
1 571 . 19 1 1 A 62 62 ASN C C 62 172.217 174.213 -1.996 1
1 572 . 19 1 1 A 62 62 ASN CA C 62 48.627 52.678 -4.051 1
1 573 . 19 1 1 A 62 62 ASN CB C 62 34.339 41.335 -6.996 1
1 574 . 19 1 1 A 62 62 ASN N N 62 120.625 120.078 0.547 1
1 576 . 19 1 1 A 63 63 TYR H H 63 6.994 8.997 -2.003 1
1 577 . 19 1 1 A 63 63 TYR HA H 63 4.477 5.159 -0.682 1
1 580 . 19 1 1 A 63 63 TYR C C 63 172.042 174.407 -2.365 1
1 581 . 19 1 1 A 63 63 TYR CA C 63 56.210 57.999 -1.789 1
1 582 . 19 1 1 A 63 63 TYR CB C 63 36.755 41.312 -4.557 1
1 583 . 19 1 1 A 63 63 TYR N N 63 116.333 122.321 -5.988 1
1 584 . 19 1 1 A 64 64 VAL H H 64 8.841 8.912 -0.071 1
1 585 . 19 1 1 A 64 64 VAL HA H 64 3.689 3.723 -0.034 1
1 593 . 19 1 1 A 64 64 VAL C C 64 175.531 175.399 0.132 1
1 594 . 19 1 1 A 64 64 VAL CA C 64 61.550 62.414 -0.864 1
1 595 . 19 1 1 A 64 64 VAL CB C 64 30.583 31.826 -1.243 1
1 598 . 19 1 1 A 64 64 VAL N N 64 123.889 127.106 -3.217 1
1 599 . 19 1 1 A 65 65 THR H H 65 8.850 8.972 -0.122 1
1 600 . 19 1 1 A 65 65 THR HA H 65 4.210 4.235 -0.025 1
1 605 . 19 1 1 A 65 65 THR C C 65 175.388 175.096 0.292 1
1 606 . 19 1 1 A 65 65 THR CA C 65 60.109 61.674 -1.565 1
1 607 . 19 1 1 A 65 65 THR CB C 65 66.710 70.040 -3.330 1
1 609 . 19 1 1 A 65 65 THR N N 65 119.739 118.752 0.987 1
1 610 . 19 1 1 A 66 66 GLY H H 66 6.907 7.377 -0.470 1
1 611 . 19 1 1 A 66 66 GLY HA2 H 66 3.769 4.225 -0.456 1
1 612 . 19 1 1 A 66 66 GLY HA3 H 66 3.583 4.256 -0.673 1
1 613 . 19 1 1 A 66 66 GLY C C 66 173.131 171.829 1.302 1
1 614 . 19 1 1 A 66 66 GLY CA C 66 42.950 44.721 -1.771 1
1 615 . 19 1 1 A 66 66 GLY N N 66 108.712 109.317 -0.605 1
1 616 . 19 1 1 A 67 67 LEU H H 67 7.723 8.781 -1.058 1
1 617 . 19 1 1 A 67 67 LEU HA H 67 4.628 4.905 -0.277 1
1 626 . 19 1 1 A 67 67 LEU C C 67 167.522 175.556 -8.034 1
1 627 . 19 1 1 A 67 67 LEU CA C 67 51.200 54.528 -3.328 1
1 628 . 19 1 1 A 67 67 LEU CB C 67 42.747 42.555 0.192 1
1 631 . 19 1 1 A 67 67 LEU N N 67 118.448 126.326 -7.878 1
1 632 . 19 1 1 A 68 68 HIS H H 68 8.003 9.354 -1.351 1
1 633 . 19 1 1 A 68 68 HIS HA H 68 4.890 4.987 -0.097 1
1 637 . 19 1 1 A 68 68 HIS C C 68 174.161 174.277 -0.116 1
1 638 . 19 1 1 A 68 68 HIS CA C 68 52.180 54.379 -2.199 1
1 639 . 19 1 1 A 68 68 HIS CB C 68 31.877 33.914 -2.037 1
1 640 . 19 1 1 A 68 68 HIS N N 68 116.650 120.408 -3.758 1
1 641 . 19 1 1 A 69 69 THR H H 69 8.515 8.700 -0.185 1
1 642 . 19 1 1 A 69 69 THR HA H 69 4.808 4.550 0.258 1
1 647 . 19 1 1 A 69 69 THR C C 69 172.511 173.959 -1.448 1
1 648 . 19 1 1 A 69 69 THR CA C 69 60.130 62.725 -2.595 1
1 649 . 19 1 1 A 69 69 THR CB C 69 67.840 69.010 -1.170 1
1 651 . 19 1 1 A 69 69 THR N N 69 114.721 115.887 -1.166 1
1 652 . 19 1 1 A 70 70 CYS H H 70 7.731 9.820 -2.089 1
1 653 . 19 1 1 A 70 70 CYS HA H 70 4.786 4.871 -0.085 1
1 656 . 19 1 1 A 70 70 CYS C C 70 172.053 172.753 -0.700 1
1 657 . 19 1 1 A 70 70 CYS CA C 70 51.950 55.300 -3.350 1
1 658 . 19 1 1 A 70 70 CYS CB C 70 43.320 44.510 -1.190 1
1 659 . 19 1 1 A 70 70 CYS N N 70 117.575 126.776 -9.201 1
1 660 . 19 1 1 A 71 71 ASP H H 71 8.370 8.983 -0.613 1
1 661 . 19 1 1 A 71 71 ASP HA H 71 4.993 5.224 -0.231 1
1 664 . 19 1 1 A 71 71 ASP C C 71 169.692 174.046 -4.354 1
1 665 . 19 1 1 A 71 71 ASP CA C 71 48.815 51.340 -2.525 1
1 666 . 19 1 1 A 71 71 ASP CB C 71 40.118 43.635 -3.517 1
1 667 . 19 1 1 A 71 71 ASP N N 71 120.975 121.283 -0.308 1
1 668 . 19 1 1 A 72 72 PRO HA H 72 4.145 4.416 -0.271 1
1 675 . 19 1 1 A 72 72 PRO CA C 72 61.360 63.268 -1.908 1
1 676 . 19 1 1 A 72 72 PRO CB C 72 30.141 31.660 -1.519 1
1 679 . 19 1 1 A 73 73 ALA H H 73 8.169 8.213 -0.044 1
1 680 . 19 1 1 A 73 73 ALA HA H 73 4.247 4.669 -0.422 1
1 684 . 19 1 1 A 73 73 ALA C C 73 174.353 176.585 -2.232 1
1 685 . 19 1 1 A 73 73 ALA CA C 73 50.370 51.812 -1.442 1
1 686 . 19 1 1 A 73 73 ALA CB C 73 17.230 20.178 -2.948 1
1 687 . 19 1 1 A 73 73 ALA N N 73 122.390 125.565 -3.175 1
1 688 . 19 1 1 A 74 74 THR H H 74 7.704 8.739 -1.035 1
1 689 . 19 1 1 A 74 74 THR C C 74 175.770 173.637 2.133 1
1 690 . 19 1 1 A 74 74 THR CA C 74 57.794 60.214 -2.420 1
1 691 . 19 1 1 A 74 74 THR CB C 74 67.994 69.075 -1.081 1
1 692 . 19 1 1 A 74 74 THR N N 74 114.834 116.806 -1.972 1
1 693 . 19 1 1 A 75 75 PRO HA H 75 4.386 4.723 -0.337 1
1 700 . 19 1 1 A 75 75 PRO CA C 75 61.440 62.976 -1.536 1
1 701 . 19 1 1 A 75 75 PRO CB C 75 30.088 31.889 -1.801 1
1 704 . 19 1 1 A 76 76 SER H H 76 8.209 9.153 -0.944 1
1 705 . 19 1 1 A 76 76 SER HA H 76 4.373 4.829 -0.456 1
1 708 . 19 1 1 A 76 76 SER C C 76 175.051 174.242 0.809 1
1 709 . 19 1 1 A 76 76 SER CA C 76 56.360 57.776 -1.416 1
1 710 . 19 1 1 A 76 76 SER CB C 76 61.939 63.248 -1.309 1
1 711 . 19 1 1 A 76 76 SER N N 76 115.319 118.153 -2.834 1
1 712 . 19 1 1 A 77 77 GLY H H 77 8.124 8.604 -0.480 1
1 713 . 19 1 1 A 77 77 GLY HA2 H 77 4.093 4.508 -0.415 1
1 714 . 19 1 1 A 77 77 GLY HA3 H 77 3.577 4.529 -0.952 1
1 715 . 19 1 1 A 77 77 GLY C C 77 173.087 173.470 -0.383 1
1 716 . 19 1 1 A 77 77 GLY CA C 77 43.555 44.792 -1.237 1
1 717 . 19 1 1 A 77 77 GLY N N 77 110.791 114.262 -3.471 1
1 3 . 20 1 1 A 1 1 ALA HA H 5 4.015 4.560 -0.545 1
1 7 . 20 1 1 A 2 2 THR H H 6 7.608 8.566 -0.958 1
1 8 . 20 1 1 A 2 2 THR C C 2 174.815 175.196 -0.381 1
1 9 . 20 1 1 A 2 2 THR CA C 2 56.801 65.240 -8.439 1
1 10 . 20 1 1 A 2 2 THR CB C 2 68.857 68.509 0.348 1
1 11 . 20 1 1 A 2 2 THR N N 6 113.279 121.383 -8.104 1
1 12 . 20 1 1 A 5 5 PRO HA H 5 4.493 4.560 -0.067 1
1 19 . 20 1 1 A 5 5 PRO CA C 5 61.290 61.944 -0.654 1
1 20 . 20 1 1 A 5 5 PRO CB C 5 30.190 32.459 -2.269 1
1 23 . 20 1 1 A 6 6 VAL H H 6 7.794 8.566 -0.772 1
1 24 . 20 1 1 A 6 6 VAL HA H 6 3.880 4.541 -0.661 1
1 32 . 20 1 1 A 6 6 VAL C C 6 175.059 176.434 -1.375 1
1 33 . 20 1 1 A 6 6 VAL CA C 6 59.560 63.726 -4.166 1
1 34 . 20 1 1 A 6 6 VAL CB C 6 30.680 31.627 -0.947 1
1 37 . 20 1 1 A 6 6 VAL N N 6 118.616 121.383 -2.767 1
1 38 . 20 1 1 A 7 7 ALA H H 7 8.029 8.587 -0.558 1
1 39 . 20 1 1 A 7 7 ALA HA H 7 4.167 4.097 0.070 1
1 43 . 20 1 1 A 7 7 ALA C C 7 173.395 177.942 -4.547 1
1 44 . 20 1 1 A 7 7 ALA CA C 7 50.780 52.668 -1.888 1
1 45 . 20 1 1 A 7 7 ALA CB C 7 18.292 19.308 -1.016 1
1 46 . 20 1 1 A 7 7 ALA N N 7 126.653 129.572 -2.919 1
1 47 . 20 1 1 A 8 8 GLU H H 8 8.587 7.914 0.673 1
1 48 . 20 1 1 A 8 8 GLU HA H 8 4.085 3.923 0.162 1
1 53 . 20 1 1 A 8 8 GLU C C 8 176.717 176.265 0.452 1
1 54 . 20 1 1 A 8 8 GLU CA C 8 56.520 58.114 -1.594 1
1 55 . 20 1 1 A 8 8 GLU CB C 8 27.393 27.116 0.277 1
1 57 . 20 1 1 A 8 8 GLU N N 8 118.049 112.827 5.222 1
1 58 . 20 1 1 A 9 9 CYS H H 9 7.348 7.989 -0.641 1
1 59 . 20 1 1 A 9 9 CYS HA H 9 4.422 4.565 -0.143 1
1 62 . 20 1 1 A 9 9 CYS C C 9 173.399 173.723 -0.324 1
1 63 . 20 1 1 A 9 9 CYS CA C 9 51.850 57.611 -5.761 1
1 64 . 20 1 1 A 9 9 CYS CB C 9 38.617 43.445 -4.828 1
1 65 . 20 1 1 A 9 9 CYS N N 9 109.798 117.227 -7.429 1
1 66 . 20 1 1 A 10 10 VAL H H 10 7.682 7.444 0.238 1
1 67 . 20 1 1 A 10 10 VAL HA H 10 4.483 4.285 0.198 1
1 75 . 20 1 1 A 10 10 VAL C C 10 172.261 174.691 -2.430 1
1 76 . 20 1 1 A 10 10 VAL CA C 10 60.360 60.994 -0.634 1
1 77 . 20 1 1 A 10 10 VAL CB C 10 29.445 33.076 -3.631 1
1 80 . 20 1 1 A 10 10 VAL N N 10 125.088 118.895 6.193 1
1 81 . 20 1 1 A 11 11 GLU H H 11 8.322 8.838 -0.516 1
1 82 . 20 1 1 A 11 11 GLU HA H 11 4.644 4.832 -0.188 1
1 87 . 20 1 1 A 11 11 GLU C C 11 172.004 174.526 -2.522 1
1 88 . 20 1 1 A 11 11 GLU CA C 11 51.852 54.728 -2.876 1
1 89 . 20 1 1 A 11 11 GLU CB C 11 31.925 33.360 -1.435 1
1 91 . 20 1 1 A 11 11 GLU N N 11 124.099 124.465 -0.366 1
1 92 . 20 1 1 A 12 12 TYR H H 12 7.843 8.486 -0.643 1
1 93 . 20 1 1 A 12 12 TYR HA H 12 5.697 6.379 -0.682 1
1 100 . 20 1 1 A 12 12 TYR C C 12 172.281 173.977 -1.696 1
1 101 . 20 1 1 A 12 12 TYR CA C 12 53.160 55.739 -2.579 1
1 102 . 20 1 1 A 12 12 TYR CB C 12 40.610 41.515 -0.905 1
1 103 . 20 1 1 A 12 12 TYR N N 12 115.283 125.490 -10.207 1
1 104 . 20 1 1 A 13 13 PHE H H 13 9.057 8.728 0.329 1
1 105 . 20 1 1 A 13 13 PHE HA H 13 4.750 4.985 -0.235 1
1 106 . 20 1 1 A 13 13 PHE C C 13 170.766 173.726 -2.960 1
1 107 . 20 1 1 A 13 13 PHE CA C 13 54.815 57.587 -2.772 1
1 108 . 20 1 1 A 13 13 PHE CB C 13 39.947 41.124 -1.177 1
1 109 . 20 1 1 A 13 13 PHE N N 13 119.347 120.379 -1.032 1
1 110 . 20 1 1 A 14 14 GLN HA H 14 5.302 5.113 0.189 1
1 113 . 20 1 1 A 14 14 GLN CA C 14 53.700 53.840 -0.140 1
1 114 . 20 1 1 A 14 14 GLN CB C 14 30.685 31.705 -1.020 1
1 115 . 20 1 1 A 15 15 SER H H 15 8.657 8.832 -0.175 1
1 116 . 20 1 1 A 15 15 SER HA H 15 4.715 4.784 -0.069 1
1 117 . 20 1 1 A 15 15 SER C C 15 172.296 173.779 -1.483 1
1 118 . 20 1 1 A 15 15 SER CA C 15 54.708 57.169 -2.461 1
1 119 . 20 1 1 A 15 15 SER CB C 15 64.456 64.440 0.016 1
1 120 . 20 1 1 A 15 15 SER N N 15 119.667 116.507 3.160 1
1 121 . 20 1 1 A 17 17 ARG HA H 17 3.413 4.282 -0.869 1
1 124 . 20 1 1 A 17 17 ARG CA C 17 55.648 57.395 -1.747 1
1 125 . 20 1 1 A 17 17 ARG CB C 17 29.496 29.261 0.235 1
1 126 . 20 1 1 A 18 18 TYR H H 18 6.870 7.697 -0.827 1
1 127 . 20 1 1 A 18 18 TYR HA H 18 5.233 4.919 0.314 1
1 134 . 20 1 1 A 18 18 TYR C C 18 174.107 174.281 -0.174 1
1 135 . 20 1 1 A 18 18 TYR CA C 18 54.231 56.979 -2.748 1
1 136 . 20 1 1 A 18 18 TYR CB C 18 40.725 39.939 0.786 1
1 137 . 20 1 1 A 18 18 TYR N N 18 114.525 118.325 -3.800 1
1 138 . 20 1 1 A 19 19 THR H H 19 8.684 9.137 -0.453 1
1 139 . 20 1 1 A 19 19 THR HA H 19 5.061 5.312 -0.251 1
1 144 . 20 1 1 A 19 19 THR C C 19 173.054 173.447 -0.393 1
1 145 . 20 1 1 A 19 19 THR CA C 19 60.704 62.599 -1.895 1
1 146 . 20 1 1 A 19 19 THR CB C 19 67.997 68.484 -0.487 1
1 148 . 20 1 1 A 19 19 THR N N 19 119.368 123.559 -4.191 1
1 149 . 20 1 1 A 20 20 ASP H H 20 8.975 8.403 0.572 1
1 150 . 20 1 1 A 20 20 ASP HA H 20 5.690 4.778 0.912 1
1 153 . 20 1 1 A 20 20 ASP C C 20 171.832 174.539 -2.707 1
1 154 . 20 1 1 A 20 20 ASP CA C 20 52.039 52.824 -0.785 1
1 155 . 20 1 1 A 20 20 ASP CB C 20 42.292 40.649 1.643 1
1 156 . 20 1 1 A 20 20 ASP N N 20 128.307 126.936 1.371 1
1 157 . 20 1 1 A 21 21 VAL H H 21 9.496 8.364 1.132 1
1 158 . 20 1 1 A 21 21 VAL HA H 21 4.775 4.779 -0.004 1
1 166 . 20 1 1 A 21 21 VAL C C 21 173.611 174.460 -0.849 1
1 167 . 20 1 1 A 21 21 VAL CA C 21 59.478 60.618 -1.140 1
1 168 . 20 1 1 A 21 21 VAL CB C 21 32.243 34.078 -1.835 1
1 171 . 20 1 1 A 21 21 VAL N N 21 123.356 124.958 -1.602 1
1 172 . 20 1 1 A 22 22 HIS H H 22 8.973 8.663 0.310 1
1 173 . 20 1 1 A 22 22 HIS HA H 22 4.622 6.022 -1.400 1
1 177 . 20 1 1 A 22 22 HIS C C 22 171.626 173.771 -2.145 1
1 178 . 20 1 1 A 22 22 HIS CA C 22 49.980 54.492 -4.512 1
1 179 . 20 1 1 A 22 22 HIS CB C 22 28.390 31.695 -3.305 1
1 180 . 20 1 1 A 22 22 HIS N N 22 124.534 127.206 -2.672 1
1 181 . 20 1 1 A 23 23 ASN H H 23 8.317 9.047 -0.730 1
1 182 . 20 1 1 A 23 23 ASN HA H 23 4.517 4.816 -0.299 1
1 185 . 20 1 1 A 23 23 ASN C C 23 171.836 176.100 -4.264 1
1 186 . 20 1 1 A 23 23 ASN CA C 23 49.380 53.569 -4.189 1
1 187 . 20 1 1 A 23 23 ASN CB C 23 36.018 39.928 -3.910 1
1 188 . 20 1 1 A 23 23 ASN N N 23 123.095 123.743 -0.648 1
1 189 . 20 1 1 A 24 24 GLY H H 24 7.602 8.477 -0.875 1
1 190 . 20 1 1 A 24 24 GLY HA2 H 24 4.051 4.243 -0.192 1
1 191 . 20 1 1 A 24 24 GLY HA3 H 24 3.381 4.245 -0.864 1
1 192 . 20 1 1 A 24 24 GLY C C 24 171.684 175.239 -3.555 1
1 193 . 20 1 1 A 24 24 GLY CA C 24 42.936 45.717 -2.781 1
1 194 . 20 1 1 A 24 24 GLY N N 24 113.217 110.351 2.866 1
1 195 . 20 1 1 A 25 25 CYS H H 25 8.145 8.040 0.105 1
1 196 . 20 1 1 A 25 25 CYS HA H 25 4.544 4.680 -0.136 1
1 199 . 20 1 1 A 25 25 CYS C C 25 172.305 173.664 -1.359 1
1 200 . 20 1 1 A 25 25 CYS CA C 25 50.790 57.134 -6.344 1
1 201 . 20 1 1 A 25 25 CYS CB C 25 39.528 42.780 -3.252 1
1 202 . 20 1 1 A 25 25 CYS N N 25 119.843 118.118 1.725 1
1 203 . 20 1 1 A 26 26 ALA H H 26 8.111 7.960 0.151 1
1 204 . 20 1 1 A 26 26 ALA HA H 26 4.084 4.050 0.034 1
1 208 . 20 1 1 A 26 26 ALA C C 26 172.481 175.636 -3.155 1
1 209 . 20 1 1 A 26 26 ALA CA C 26 50.950 54.589 -3.639 1
1 210 . 20 1 1 A 26 26 ALA CB C 26 17.251 17.487 -0.236 1
1 211 . 20 1 1 A 26 26 ALA N N 26 119.852 122.168 -2.316 1
1 212 . 20 1 1 A 27 27 ASP H H 27 6.938 7.732 -0.794 1
1 213 . 20 1 1 A 27 27 ASP HA H 27 4.787 5.218 -0.431 1
1 216 . 20 1 1 A 27 27 ASP C C 27 174.263 174.676 -0.413 1
1 217 . 20 1 1 A 27 27 ASP CA C 27 49.550 52.341 -2.791 1
1 218 . 20 1 1 A 27 27 ASP CB C 27 42.250 43.867 -1.617 1
1 219 . 20 1 1 A 27 27 ASP N N 27 113.761 116.600 -2.839 1
1 220 . 20 1 1 A 28 28 ALA H H 28 8.454 8.374 0.080 1
1 221 . 20 1 1 A 28 28 ALA HA H 28 3.986 4.907 -0.921 1
1 225 . 20 1 1 A 28 28 ALA C C 28 173.188 177.663 -4.475 1
1 226 . 20 1 1 A 28 28 ALA CA C 28 50.550 52.468 -1.918 1
1 227 . 20 1 1 A 28 28 ALA CB C 28 16.820 19.120 -2.300 1
1 228 . 20 1 1 A 28 28 ALA N N 28 121.635 122.975 -1.340 1
1 229 . 20 1 1 A 29 29 VAL H H 29 7.742 8.838 -1.096 1
1 230 . 20 1 1 A 29 29 VAL HA H 29 4.553 4.852 -0.299 1
1 238 . 20 1 1 A 29 29 VAL C C 29 174.826 174.266 0.560 1
1 239 . 20 1 1 A 29 29 VAL CA C 29 57.140 59.496 -2.356 1
1 240 . 20 1 1 A 29 29 VAL CB C 29 33.000 35.063 -2.063 1
1 243 . 20 1 1 A 29 29 VAL N N 29 113.732 118.263 -4.531 1
1 244 . 20 1 1 A 30 30 SER H H 30 8.101 8.877 -0.776 1
1 245 . 20 1 1 A 30 30 SER HA H 30 5.338 5.104 0.234 1
1 248 . 20 1 1 A 30 30 SER C C 30 171.613 174.529 -2.916 1
1 249 . 20 1 1 A 30 30 SER CA C 30 54.310 58.272 -3.962 1
1 250 . 20 1 1 A 30 30 SER CB C 30 62.237 63.999 -1.762 1
1 251 . 20 1 1 A 30 30 SER N N 30 118.729 121.754 -3.025 1
1 252 . 20 1 1 A 31 31 VAL H H 31 8.780 9.763 -0.983 1
1 253 . 20 1 1 A 31 31 VAL HA H 31 5.146 5.008 0.138 1
1 261 . 20 1 1 A 31 31 VAL C C 31 172.831 174.236 -1.405 1
1 262 . 20 1 1 A 31 31 VAL CA C 31 56.940 59.581 -2.641 1
1 263 . 20 1 1 A 31 31 VAL CB C 31 35.030 34.484 0.546 1
1 266 . 20 1 1 A 31 31 VAL N N 31 119.018 120.814 -1.796 1
1 267 . 20 1 1 A 32 32 THR H H 32 8.366 9.380 -1.014 1
1 268 . 20 1 1 A 32 32 THR HA H 32 4.498 4.912 -0.414 1
1 273 . 20 1 1 A 32 32 THR C C 32 171.480 172.615 -1.135 1
1 274 . 20 1 1 A 32 32 THR CA C 32 57.100 60.011 -2.911 1
1 275 . 20 1 1 A 32 32 THR CB C 32 67.767 71.693 -3.926 1
1 277 . 20 1 1 A 32 32 THR N N 32 115.885 118.134 -2.249 1
1 278 . 20 1 1 A 33 33 VAL H H 33 6.720 8.575 -1.855 1
1 279 . 20 1 1 A 33 33 VAL HA H 33 3.950 5.056 -1.106 1
1 287 . 20 1 1 A 33 33 VAL C C 33 169.808 173.306 -3.498 1
1 288 . 20 1 1 A 33 33 VAL CA C 33 57.990 58.885 -0.895 1
1 289 . 20 1 1 A 33 33 VAL CB C 33 32.331 34.900 -2.569 1
1 292 . 20 1 1 A 33 33 VAL N N 33 119.716 121.016 -1.300 1
1 293 . 20 1 1 A 34 34 GLU H H 34 7.670 8.944 -1.274 1
1 294 . 20 1 1 A 34 34 GLU HA H 34 4.187 4.833 -0.646 1
1 297 . 20 1 1 A 34 34 GLU C C 34 171.032 175.199 -4.167 1
1 298 . 20 1 1 A 34 34 GLU CA C 34 51.930 54.211 -2.281 1
1 299 . 20 1 1 A 34 34 GLU CB C 34 29.430 32.281 -2.851 1
1 300 . 20 1 1 A 34 34 GLU N N 34 123.182 123.322 -0.140 1
1 301 . 20 1 1 A 35 35 TYR H H 35 8.500 8.956 -0.456 1
1 302 . 20 1 1 A 35 35 TYR HA H 35 4.646 4.919 -0.273 1
1 309 . 20 1 1 A 35 35 TYR C C 35 172.817 177.192 -4.375 1
1 310 . 20 1 1 A 35 35 TYR CA C 35 55.880 57.846 -1.966 1
1 311 . 20 1 1 A 35 35 TYR CB C 35 38.300 40.571 -2.271 1
1 312 . 20 1 1 A 35 35 TYR N N 35 122.953 124.802 -1.849 1
1 313 . 20 1 1 A 36 36 THR H H 36 8.295 9.298 -1.003 1
1 314 . 20 1 1 A 36 36 THR HA H 36 3.731 3.922 -0.191 1
1 319 . 20 1 1 A 36 36 THR C C 36 175.873 175.096 0.777 1
1 320 . 20 1 1 A 36 36 THR CA C 36 65.169 66.123 -0.954 1
1 321 . 20 1 1 A 36 36 THR CB C 36 67.700 68.532 -0.832 1
1 323 . 20 1 1 A 36 36 THR N N 36 119.739 117.316 2.423 1
1 324 . 20 1 1 A 37 37 HIS H H 37 8.755 7.727 1.028 1
1 325 . 20 1 1 A 37 37 HIS HA H 37 4.807 4.630 0.177 1
1 329 . 20 1 1 A 37 37 HIS C C 37 173.381 176.325 -2.944 1
1 330 . 20 1 1 A 37 37 HIS CA C 37 53.412 57.657 -4.245 1
1 331 . 20 1 1 A 37 37 HIS CB C 37 27.137 30.738 -3.601 1
1 332 . 20 1 1 A 37 37 HIS N N 37 115.916 116.026 -0.110 1
1 333 . 20 1 1 A 38 38 GLY H H 38 7.856 7.531 0.325 1
1 334 . 20 1 1 A 38 38 GLY HA2 H 38 4.091 4.081 0.010 1
1 335 . 20 1 1 A 38 38 GLY HA3 H 38 3.795 4.109 -0.314 1
1 336 . 20 1 1 A 38 38 GLY C C 38 174.479 174.352 0.127 1
1 337 . 20 1 1 A 38 38 GLY CA C 38 43.935 45.277 -1.342 1
1 338 . 20 1 1 A 38 38 GLY N N 38 106.387 103.706 2.681 1
1 339 . 20 1 1 A 39 39 GLN H H 39 8.096 7.687 0.409 1
1 340 . 20 1 1 A 39 39 GLN HA H 39 4.239 4.250 -0.011 1
1 345 . 20 1 1 A 39 39 GLN C C 39 171.748 176.090 -4.342 1
1 346 . 20 1 1 A 39 39 GLN CA C 39 55.050 55.889 -0.839 1
1 347 . 20 1 1 A 39 39 GLN CB C 39 26.580 29.345 -2.765 1
1 349 . 20 1 1 A 39 39 GLN N N 39 119.846 118.560 1.286 1
1 350 . 20 1 1 A 40 40 TRP H H 40 8.286 8.575 -0.289 1
1 351 . 20 1 1 A 40 40 TRP HA H 40 4.961 4.848 0.113 1
1 358 . 20 1 1 A 40 40 TRP C C 40 172.966 175.945 -2.979 1
1 359 . 20 1 1 A 40 40 TRP CA C 40 55.210 57.337 -2.127 1
1 360 . 20 1 1 A 40 40 TRP CB C 40 28.161 30.673 -2.512 1
1 361 . 20 1 1 A 40 40 TRP N N 40 121.182 122.377 -1.195 1
1 363 . 20 1 1 A 41 41 ALA H H 41 7.947 9.094 -1.147 1
1 364 . 20 1 1 A 41 41 ALA HA H 41 4.641 4.603 0.038 1
1 368 . 20 1 1 A 41 41 ALA C C 41 174.070 177.575 -3.505 1
1 369 . 20 1 1 A 41 41 ALA CA C 41 47.995 53.526 -5.531 1
1 370 . 20 1 1 A 41 41 ALA CB C 41 18.627 21.038 -2.411 1
1 371 . 20 1 1 A 41 41 ALA N N 41 126.752 121.726 5.026 1
1 372 . 20 1 1 A 42 42 PRO HA H 42 4.240 4.201 0.039 1
1 377 . 20 1 1 A 42 42 PRO CA C 42 60.853 62.523 -1.670 1
1 378 . 20 1 1 A 42 42 PRO CB C 42 30.203 29.091 1.112 1
1 379 . 20 1 1 A 43 43 CYS H H 43 8.229 8.770 -0.541 1
1 380 . 20 1 1 A 43 43 CYS HA H 43 4.643 5.224 -0.581 1
1 383 . 20 1 1 A 43 43 CYS C C 43 173.099 172.103 0.996 1
1 384 . 20 1 1 A 43 43 CYS CA C 43 53.574 56.698 -3.124 1
1 385 . 20 1 1 A 43 43 CYS CB C 43 39.464 45.239 -5.775 1
1 386 . 20 1 1 A 43 43 CYS N N 43 119.646 121.984 -2.338 1
1 387 . 20 1 1 A 44 44 ARG H H 44 8.931 9.631 -0.700 1
1 388 . 20 1 1 A 44 44 ARG HA H 44 4.653 5.035 -0.382 1
1 395 . 20 1 1 A 44 44 ARG C C 44 172.821 174.894 -2.073 1
1 396 . 20 1 1 A 44 44 ARG CA C 44 51.850 54.194 -2.344 1
1 397 . 20 1 1 A 44 44 ARG CB C 44 30.892 33.911 -3.019 1
1 400 . 20 1 1 A 44 44 ARG N N 44 128.546 125.242 3.304 1
1 401 . 20 1 1 A 45 45 VAL H H 45 8.242 8.663 -0.421 1
1 402 . 20 1 1 A 45 45 VAL HA H 45 4.625 4.474 0.151 1
1 410 . 20 1 1 A 45 45 VAL C C 45 172.339 175.346 -3.007 1
1 411 . 20 1 1 A 45 45 VAL CA C 45 59.800 62.408 -2.608 1
1 412 . 20 1 1 A 45 45 VAL CB C 45 29.914 33.135 -3.221 1
1 415 . 20 1 1 A 45 45 VAL N N 45 123.347 125.726 -2.379 1
1 416 . 20 1 1 A 46 46 ILE H H 46 9.161 9.376 -0.215 1
1 417 . 20 1 1 A 46 46 ILE HA H 46 4.241 4.691 -0.450 1
1 427 . 20 1 1 A 46 46 ILE C C 46 174.656 175.807 -1.151 1
1 428 . 20 1 1 A 46 46 ILE CA C 46 58.660 59.945 -1.285 1
1 429 . 20 1 1 A 46 46 ILE CB C 46 37.551 39.603 -2.052 1
1 432 . 20 1 1 A 46 46 ILE N N 46 128.086 128.913 -0.827 1
1 433 . 20 1 1 A 47 47 GLU H H 47 9.214 8.624 0.590 1
1 434 . 20 1 1 A 47 47 GLU HA H 47 4.182 4.721 -0.539 1
1 439 . 20 1 1 A 47 47 GLU C C 47 174.413 174.812 -0.399 1
1 440 . 20 1 1 A 47 47 GLU CA C 47 53.820 54.504 -0.684 1
1 441 . 20 1 1 A 47 47 GLU CB C 47 25.600 29.211 -3.611 1
1 443 . 20 1 1 A 47 47 GLU N N 47 129.614 126.640 2.974 1
1 444 . 20 1 1 A 48 48 PRO HA H 48 3.872 4.308 -0.436 1
1 451 . 20 1 1 A 48 48 PRO CA C 48 62.770 63.843 -1.073 1
1 452 . 20 1 1 A 48 48 PRO CB C 48 29.241 31.357 -2.116 1
1 455 . 20 1 1 A 49 49 GLY H H 49 8.330 8.890 -0.560 1
1 456 . 20 1 1 A 49 49 GLY HA2 H 49 4.140 3.991 0.149 1
1 457 . 20 1 1 A 49 49 GLY HA3 H 49 3.702 4.031 -0.329 1
1 458 . 20 1 1 A 49 49 GLY C C 49 176.101 174.436 1.665 1
1 459 . 20 1 1 A 49 49 GLY CA C 49 43.930 45.426 -1.496 1
1 460 . 20 1 1 A 49 49 GLY N N 49 115.617 113.070 2.547 1
1 461 . 20 1 1 A 50 50 GLY H H 50 8.496 8.605 -0.109 1
1 462 . 20 1 1 A 50 50 GLY HA2 H 50 4.374 4.116 0.258 1
1 463 . 20 1 1 A 50 50 GLY HA3 H 50 3.614 4.138 -0.524 1
1 464 . 20 1 1 A 50 50 GLY C C 50 172.758 173.716 -0.958 1
1 465 . 20 1 1 A 50 50 GLY CA C 50 42.550 44.245 -1.695 1
1 466 . 20 1 1 A 50 50 GLY N N 50 108.129 108.305 -0.176 1
1 467 . 20 1 1 A 51 51 TRP H H 51 8.184 8.723 -0.539 1
1 468 . 20 1 1 A 51 51 TRP HA H 51 5.778 6.539 -0.761 1
1 475 . 20 1 1 A 51 51 TRP C C 51 170.134 175.534 -5.400 1
1 476 . 20 1 1 A 51 51 TRP CA C 51 53.820 55.881 -2.061 1
1 477 . 20 1 1 A 51 51 TRP CB C 51 30.930 33.911 -2.981 1
1 478 . 20 1 1 A 51 51 TRP N N 51 117.328 120.402 -3.074 1
1 480 . 20 1 1 A 52 52 ALA H H 52 9.354 8.945 0.409 1
1 481 . 20 1 1 A 52 52 ALA HA H 52 4.654 4.988 -0.334 1
1 485 . 20 1 1 A 52 52 ALA C C 52 174.350 175.286 -0.936 1
1 486 . 20 1 1 A 52 52 ALA CA C 52 49.250 50.997 -1.747 1
1 487 . 20 1 1 A 52 52 ALA CB C 52 20.971 21.656 -0.685 1
1 488 . 20 1 1 A 52 52 ALA N N 52 122.785 122.988 -0.203 1
1 489 . 20 1 1 A 53 53 THR H H 53 8.059 8.370 -0.311 1
1 490 . 20 1 1 A 53 53 THR HA H 53 5.251 4.477 0.774 1
1 495 . 20 1 1 A 53 53 THR C C 53 173.703 173.521 0.182 1
1 496 . 20 1 1 A 53 53 THR CA C 53 60.321 62.140 -1.819 1
1 497 . 20 1 1 A 53 53 THR CB C 53 69.150 69.344 -0.194 1
1 499 . 20 1 1 A 53 53 THR N N 53 115.813 118.472 -2.659 1
1 500 . 20 1 1 A 54 54 PHE H H 54 9.370 8.730 0.640 1
1 501 . 20 1 1 A 54 54 PHE HA H 54 4.827 4.905 -0.078 1
1 508 . 20 1 1 A 54 54 PHE C C 54 171.593 175.113 -3.520 1
1 509 . 20 1 1 A 54 54 PHE CA C 54 53.813 56.511 -2.698 1
1 510 . 20 1 1 A 54 54 PHE CB C 54 40.556 42.981 -2.425 1
1 511 . 20 1 1 A 54 54 PHE N N 54 125.684 124.339 1.345 1
1 512 . 20 1 1 A 55 55 ALA H H 55 8.706 8.614 0.092 1
1 513 . 20 1 1 A 55 55 ALA HA H 55 4.362 4.192 0.170 1
1 517 . 20 1 1 A 55 55 ALA C C 55 173.468 177.751 -4.283 1
1 518 . 20 1 1 A 55 55 ALA CA C 55 52.010 52.069 -0.059 1
1 519 . 20 1 1 A 55 55 ALA CB C 55 16.740 18.591 -1.851 1
1 520 . 20 1 1 A 55 55 ALA N N 55 124.175 126.026 -1.851 1
1 521 . 20 1 1 A 56 56 GLY H H 56 7.517 8.362 -0.845 1
1 522 . 20 1 1 A 56 56 GLY HA2 H 56 4.252 4.132 0.120 1
1 523 . 20 1 1 A 56 56 GLY HA3 H 56 3.339 4.211 -0.872 1
1 524 . 20 1 1 A 56 56 GLY C C 56 178.583 173.173 5.410 1
1 525 . 20 1 1 A 56 56 GLY CA C 56 42.282 44.802 -2.520 1
1 526 . 20 1 1 A 56 56 GLY N N 56 110.256 110.615 -0.359 1
1 527 . 20 1 1 A 57 57 TYR H H 57 7.154 9.067 -1.913 1
1 528 . 20 1 1 A 57 57 TYR HA H 57 4.516 4.931 -0.415 1
1 535 . 20 1 1 A 57 57 TYR C C 57 170.587 175.583 -4.996 1
1 536 . 20 1 1 A 57 57 TYR CA C 57 55.130 57.015 -1.885 1
1 537 . 20 1 1 A 57 57 TYR CB C 57 36.127 38.105 -1.978 1
1 538 . 20 1 1 A 57 57 TYR N N 57 113.618 119.042 -5.424 1
1 539 . 20 1 1 A 58 58 GLY H H 58 8.498 8.213 0.285 1
1 540 . 20 1 1 A 58 58 GLY HA2 H 58 3.946 3.790 0.156 1
1 541 . 20 1 1 A 58 58 GLY HA3 H 58 3.420 3.836 -0.416 1
1 542 . 20 1 1 A 58 58 GLY C C 58 175.193 173.765 1.428 1
1 543 . 20 1 1 A 58 58 GLY CA C 58 43.806 46.144 -2.338 1
1 544 . 20 1 1 A 58 58 GLY N N 58 109.549 110.434 -0.885 1
1 545 . 20 1 1 A 59 59 THR H H 59 8.301 7.843 0.458 1
1 546 . 20 1 1 A 59 59 THR HA H 59 4.277 4.604 -0.327 1
1 547 . 20 1 1 A 59 59 THR C C 59 172.318 174.869 -2.551 1
1 548 . 20 1 1 A 59 59 THR CA C 59 60.637 60.502 0.135 1
1 549 . 20 1 1 A 59 59 THR CB C 59 67.412 70.706 -3.294 1
1 550 . 20 1 1 A 59 59 THR N N 59 111.031 114.160 -3.129 1
1 551 . 20 1 1 A 60 60 ASP H H 60 8.414 9.368 -0.954 1
1 552 . 20 1 1 A 60 60 ASP HA H 60 4.679 4.238 0.441 1
1 555 . 20 1 1 A 60 60 ASP C C 60 173.345 175.784 -2.439 1
1 556 . 20 1 1 A 60 60 ASP CA C 60 51.030 56.247 -5.217 1
1 557 . 20 1 1 A 60 60 ASP CB C 60 38.608 38.619 -0.011 1
1 558 . 20 1 1 A 60 60 ASP N N 60 120.007 124.903 -4.896 1
1 559 . 20 1 1 A 61 61 GLY H H 61 7.967 8.928 -0.961 1
1 560 . 20 1 1 A 61 61 GLY HA2 H 61 3.550 4.224 -0.674 1
1 561 . 20 1 1 A 61 61 GLY HA3 H 61 2.879 4.254 -1.375 1
1 562 . 20 1 1 A 61 61 GLY C C 61 175.339 173.879 1.460 1
1 563 . 20 1 1 A 61 61 GLY CA C 61 44.956 45.124 -0.168 1
1 564 . 20 1 1 A 61 61 GLY N N 61 108.692 105.984 2.708 1
1 565 . 20 1 1 A 62 62 ASN H H 62 8.507 9.158 -0.651 1
1 566 . 20 1 1 A 62 62 ASN HA H 62 4.455 4.470 -0.015 1
1 571 . 20 1 1 A 62 62 ASN C C 62 172.217 173.998 -1.781 1
1 572 . 20 1 1 A 62 62 ASN CA C 62 48.627 54.290 -5.663 1
1 573 . 20 1 1 A 62 62 ASN CB C 62 34.339 37.033 -2.694 1
1 574 . 20 1 1 A 62 62 ASN N N 62 120.625 119.498 1.127 1
1 576 . 20 1 1 A 63 63 TYR H H 63 6.994 8.196 -1.202 1
1 577 . 20 1 1 A 63 63 TYR HA H 63 4.477 4.505 -0.028 1
1 580 . 20 1 1 A 63 63 TYR C C 63 172.042 174.935 -2.893 1
1 581 . 20 1 1 A 63 63 TYR CA C 63 56.210 58.569 -2.359 1
1 582 . 20 1 1 A 63 63 TYR CB C 63 36.755 38.756 -2.001 1
1 583 . 20 1 1 A 63 63 TYR N N 63 116.333 118.889 -2.556 1
1 584 . 20 1 1 A 64 64 VAL H H 64 8.841 8.488 0.353 1
1 585 . 20 1 1 A 64 64 VAL HA H 64 3.689 3.721 -0.032 1
1 593 . 20 1 1 A 64 64 VAL C C 64 175.531 175.650 -0.119 1
1 594 . 20 1 1 A 64 64 VAL CA C 64 61.550 62.407 -0.857 1
1 595 . 20 1 1 A 64 64 VAL CB C 64 30.583 31.694 -1.111 1
1 598 . 20 1 1 A 64 64 VAL N N 64 123.889 126.479 -2.590 1
1 599 . 20 1 1 A 65 65 THR H H 65 8.850 8.929 -0.079 1
1 600 . 20 1 1 A 65 65 THR HA H 65 4.210 4.313 -0.103 1
1 605 . 20 1 1 A 65 65 THR C C 65 175.388 174.985 0.403 1
1 606 . 20 1 1 A 65 65 THR CA C 65 60.109 61.381 -1.272 1
1 607 . 20 1 1 A 65 65 THR CB C 65 66.710 70.066 -3.356 1
1 609 . 20 1 1 A 65 65 THR N N 65 119.739 118.957 0.782 1
1 610 . 20 1 1 A 66 66 GLY H H 66 6.907 7.300 -0.393 1
1 611 . 20 1 1 A 66 66 GLY HA2 H 66 3.769 4.217 -0.448 1
1 612 . 20 1 1 A 66 66 GLY HA3 H 66 3.583 4.217 -0.634 1
1 613 . 20 1 1 A 66 66 GLY C C 66 173.131 171.736 1.395 1
1 614 . 20 1 1 A 66 66 GLY CA C 66 42.950 44.770 -1.820 1
1 615 . 20 1 1 A 66 66 GLY N N 66 108.712 108.601 0.111 1
1 616 . 20 1 1 A 67 67 LEU H H 67 7.723 8.777 -1.054 1
1 617 . 20 1 1 A 67 67 LEU HA H 67 4.628 4.934 -0.306 1
1 626 . 20 1 1 A 67 67 LEU C C 67 167.522 176.163 -8.641 1
1 627 . 20 1 1 A 67 67 LEU CA C 67 51.200 54.366 -3.166 1
1 628 . 20 1 1 A 67 67 LEU CB C 67 42.747 42.864 -0.117 1
1 631 . 20 1 1 A 67 67 LEU N N 67 118.448 126.162 -7.714 1
1 632 . 20 1 1 A 68 68 HIS H H 68 8.003 9.633 -1.630 1
1 633 . 20 1 1 A 68 68 HIS HA H 68 4.890 4.953 -0.063 1
1 637 . 20 1 1 A 68 68 HIS C C 68 174.161 174.248 -0.087 1
1 638 . 20 1 1 A 68 68 HIS CA C 68 52.180 54.267 -2.087 1
1 639 . 20 1 1 A 68 68 HIS CB C 68 31.877 33.720 -1.843 1
1 640 . 20 1 1 A 68 68 HIS N N 68 116.650 120.500 -3.850 1
1 641 . 20 1 1 A 69 69 THR H H 69 8.515 8.771 -0.256 1
1 642 . 20 1 1 A 69 69 THR HA H 69 4.808 4.307 0.501 1
1 647 . 20 1 1 A 69 69 THR C C 69 172.511 174.125 -1.614 1
1 648 . 20 1 1 A 69 69 THR CA C 69 60.130 62.887 -2.757 1
1 649 . 20 1 1 A 69 69 THR CB C 69 67.840 68.995 -1.155 1
1 651 . 20 1 1 A 69 69 THR N N 69 114.721 118.355 -3.634 1
1 652 . 20 1 1 A 70 70 CYS H H 70 7.731 9.502 -1.771 1
1 653 . 20 1 1 A 70 70 CYS HA H 70 4.786 4.898 -0.112 1
1 656 . 20 1 1 A 70 70 CYS C C 70 172.053 173.031 -0.978 1
1 657 . 20 1 1 A 70 70 CYS CA C 70 51.950 55.547 -3.597 1
1 658 . 20 1 1 A 70 70 CYS CB C 70 43.320 43.850 -0.530 1
1 659 . 20 1 1 A 70 70 CYS N N 70 117.575 126.228 -8.653 1
1 660 . 20 1 1 A 71 71 ASP H H 71 8.370 9.084 -0.714 1
1 661 . 20 1 1 A 71 71 ASP HA H 71 4.993 5.222 -0.229 1
1 664 . 20 1 1 A 71 71 ASP C C 71 169.692 174.099 -4.407 1
1 665 . 20 1 1 A 71 71 ASP CA C 71 48.815 51.295 -2.480 1
1 666 . 20 1 1 A 71 71 ASP CB C 71 40.118 43.660 -3.542 1
1 667 . 20 1 1 A 71 71 ASP N N 71 120.975 121.578 -0.603 1
1 668 . 20 1 1 A 72 72 PRO HA H 72 4.145 4.410 -0.265 1
1 675 . 20 1 1 A 72 72 PRO CA C 72 61.360 63.016 -1.656 1
1 676 . 20 1 1 A 72 72 PRO CB C 72 30.141 30.936 -0.795 1
1 679 . 20 1 1 A 73 73 ALA H H 73 8.169 7.972 0.197 1
1 680 . 20 1 1 A 73 73 ALA HA H 73 4.247 4.562 -0.315 1
1 684 . 20 1 1 A 73 73 ALA C C 73 174.353 175.479 -1.126 1
1 685 . 20 1 1 A 73 73 ALA CA C 73 50.370 51.678 -1.308 1
1 686 . 20 1 1 A 73 73 ALA CB C 73 17.230 18.862 -1.632 1
1 687 . 20 1 1 A 73 73 ALA N N 73 122.390 125.167 -2.777 1
1 688 . 20 1 1 A 74 74 THR H H 74 7.704 8.309 -0.605 1
1 689 . 20 1 1 A 74 74 THR C C 74 175.770 173.052 2.718 1
1 690 . 20 1 1 A 74 74 THR CA C 74 57.794 60.211 -2.417 1
1 691 . 20 1 1 A 74 74 THR CB C 74 67.994 68.791 -0.797 1
1 692 . 20 1 1 A 74 74 THR N N 74 114.834 113.151 1.683 1
1 693 . 20 1 1 A 75 75 PRO HA H 75 4.386 4.445 -0.059 1
1 700 . 20 1 1 A 75 75 PRO CA C 75 61.440 63.375 -1.935 1
1 701 . 20 1 1 A 75 75 PRO CB C 75 30.088 31.326 -1.238 1
1 704 . 20 1 1 A 76 76 SER H H 76 8.209 9.014 -0.805 1
1 705 . 20 1 1 A 76 76 SER HA H 76 4.373 4.259 0.114 1
1 708 . 20 1 1 A 76 76 SER C C 76 175.051 174.383 0.668 1
1 709 . 20 1 1 A 76 76 SER CA C 76 56.360 60.404 -4.044 1
1 710 . 20 1 1 A 76 76 SER CB C 76 61.939 61.931 0.008 1
1 711 . 20 1 1 A 76 76 SER N N 76 115.319 113.996 1.323 1
1 712 . 20 1 1 A 77 77 GLY H H 77 8.124 8.641 -0.517 1
1 713 . 20 1 1 A 77 77 GLY HA2 H 77 4.093 4.029 0.064 1
1 714 . 20 1 1 A 77 77 GLY HA3 H 77 3.577 4.031 -0.454 1
1 715 . 20 1 1 A 77 77 GLY C C 77 173.087 173.441 -0.354 1
1 716 . 20 1 1 A 77 77 GLY CA C 77 43.555 45.273 -1.718 1
1 717 . 20 1 1 A 77 77 GLY N N 77 110.791 110.611 0.180 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 66 2.737 1
2 1 1 1 "RMS(OBS, PRED)" CA 73 2.712 1
3 1 1 1 "RMS(OBS, PRED)" CB 64 2.460 1
4 1 1 1 "RMS(OBS, PRED)" H 66 0.714 1
5 1 1 1 "RMS(OBS, PRED)" HA 81 0.487 1
6 1 1 1 "RMS(OBS, PRED)" N 66 3.313 1
7 1 2 1 "RMS(OBS, PRED)" C 66 2.821 1
8 1 2 1 "RMS(OBS, PRED)" CA 73 2.699 1
9 1 2 1 "RMS(OBS, PRED)" CB 64 2.397 1
10 1 2 1 "RMS(OBS, PRED)" H 66 0.773 1
11 1 2 1 "RMS(OBS, PRED)" HA 81 0.471 1
12 1 2 1 "RMS(OBS, PRED)" N 66 3.625 1
13 1 3 1 "RMS(OBS, PRED)" C 66 2.713 1
14 1 3 1 "RMS(OBS, PRED)" CA 73 2.670 1
15 1 3 1 "RMS(OBS, PRED)" CB 64 2.421 1
16 1 3 1 "RMS(OBS, PRED)" H 66 0.778 1
17 1 3 1 "RMS(OBS, PRED)" HA 81 0.460 1
18 1 3 1 "RMS(OBS, PRED)" N 66 3.677 1
19 1 4 1 "RMS(OBS, PRED)" C 66 2.731 1
20 1 4 1 "RMS(OBS, PRED)" CA 73 2.641 1
21 1 4 1 "RMS(OBS, PRED)" CB 64 2.614 1
22 1 4 1 "RMS(OBS, PRED)" H 66 0.804 1
23 1 4 1 "RMS(OBS, PRED)" HA 81 0.483 1
24 1 4 1 "RMS(OBS, PRED)" N 66 3.635 1
25 1 5 1 "RMS(OBS, PRED)" C 66 2.755 1
26 1 5 1 "RMS(OBS, PRED)" CA 73 2.714 1
27 1 5 1 "RMS(OBS, PRED)" CB 64 2.516 1
28 1 5 1 "RMS(OBS, PRED)" H 66 0.782 1
29 1 5 1 "RMS(OBS, PRED)" HA 81 0.483 1
30 1 5 1 "RMS(OBS, PRED)" N 66 3.745 1
31 1 6 1 "RMS(OBS, PRED)" C 66 2.756 1
32 1 6 1 "RMS(OBS, PRED)" CA 73 2.654 1
33 1 6 1 "RMS(OBS, PRED)" CB 64 2.437 1
34 1 6 1 "RMS(OBS, PRED)" H 66 0.795 1
35 1 6 1 "RMS(OBS, PRED)" HA 81 0.474 1
36 1 6 1 "RMS(OBS, PRED)" N 66 3.851 1
37 1 7 1 "RMS(OBS, PRED)" C 66 2.748 1
38 1 7 1 "RMS(OBS, PRED)" CA 73 2.645 1
39 1 7 1 "RMS(OBS, PRED)" CB 64 2.660 1
40 1 7 1 "RMS(OBS, PRED)" H 66 0.802 1
41 1 7 1 "RMS(OBS, PRED)" HA 81 0.479 1
42 1 7 1 "RMS(OBS, PRED)" N 66 3.731 1
43 1 8 1 "RMS(OBS, PRED)" C 66 2.784 1
44 1 8 1 "RMS(OBS, PRED)" CA 73 2.826 1
45 1 8 1 "RMS(OBS, PRED)" CB 64 2.406 1
46 1 8 1 "RMS(OBS, PRED)" H 66 0.807 1
47 1 8 1 "RMS(OBS, PRED)" HA 81 0.450 1
48 1 8 1 "RMS(OBS, PRED)" N 66 3.715 1
49 1 9 1 "RMS(OBS, PRED)" C 66 2.832 1
50 1 9 1 "RMS(OBS, PRED)" CA 73 2.735 1
51 1 9 1 "RMS(OBS, PRED)" CB 64 2.429 1
52 1 9 1 "RMS(OBS, PRED)" H 66 0.779 1
53 1 9 1 "RMS(OBS, PRED)" HA 81 0.477 1
54 1 9 1 "RMS(OBS, PRED)" N 66 3.737 1
55 1 10 1 "RMS(OBS, PRED)" C 66 2.722 1
56 1 10 1 "RMS(OBS, PRED)" CA 73 2.823 1
57 1 10 1 "RMS(OBS, PRED)" CB 64 2.451 1
58 1 10 1 "RMS(OBS, PRED)" H 66 0.814 1
59 1 10 1 "RMS(OBS, PRED)" HA 81 0.471 1
60 1 10 1 "RMS(OBS, PRED)" N 66 3.846 1
61 1 11 1 "RMS(OBS, PRED)" C 66 2.776 1
62 1 11 1 "RMS(OBS, PRED)" CA 73 2.556 1
63 1 11 1 "RMS(OBS, PRED)" CB 64 2.635 1
64 1 11 1 "RMS(OBS, PRED)" H 66 0.812 1
65 1 11 1 "RMS(OBS, PRED)" HA 81 0.514 1
66 1 11 1 "RMS(OBS, PRED)" N 66 3.695 1
67 1 12 1 "RMS(OBS, PRED)" C 66 2.781 1
68 1 12 1 "RMS(OBS, PRED)" CA 73 2.668 1
69 1 12 1 "RMS(OBS, PRED)" CB 64 2.422 1
70 1 12 1 "RMS(OBS, PRED)" H 66 0.767 1
71 1 12 1 "RMS(OBS, PRED)" HA 81 0.439 1
72 1 12 1 "RMS(OBS, PRED)" N 66 3.676 1
73 1 13 1 "RMS(OBS, PRED)" C 66 2.790 1
74 1 13 1 "RMS(OBS, PRED)" CA 73 2.636 1
75 1 13 1 "RMS(OBS, PRED)" CB 64 2.686 1
76 1 13 1 "RMS(OBS, PRED)" H 66 0.846 1
77 1 13 1 "RMS(OBS, PRED)" HA 81 0.471 1
78 1 13 1 "RMS(OBS, PRED)" N 66 3.637 1
79 1 14 1 "RMS(OBS, PRED)" C 66 2.734 1
80 1 14 1 "RMS(OBS, PRED)" CA 73 2.631 1
81 1 14 1 "RMS(OBS, PRED)" CB 64 2.582 1
82 1 14 1 "RMS(OBS, PRED)" H 66 0.832 1
83 1 14 1 "RMS(OBS, PRED)" HA 81 0.484 1
84 1 14 1 "RMS(OBS, PRED)" N 66 3.777 1
85 1 15 1 "RMS(OBS, PRED)" C 66 2.808 1
86 1 15 1 "RMS(OBS, PRED)" CA 73 2.626 1
87 1 15 1 "RMS(OBS, PRED)" CB 64 2.567 1
88 1 15 1 "RMS(OBS, PRED)" H 66 0.805 1
89 1 15 1 "RMS(OBS, PRED)" HA 81 0.454 1
90 1 15 1 "RMS(OBS, PRED)" N 66 3.759 1
91 1 16 1 "RMS(OBS, PRED)" C 66 2.813 1
92 1 16 1 "RMS(OBS, PRED)" CA 73 2.755 1
93 1 16 1 "RMS(OBS, PRED)" CB 64 2.397 1
94 1 16 1 "RMS(OBS, PRED)" H 66 0.818 1
95 1 16 1 "RMS(OBS, PRED)" HA 81 0.450 1
96 1 16 1 "RMS(OBS, PRED)" N 66 3.921 1
97 1 17 1 "RMS(OBS, PRED)" C 66 2.670 1
98 1 17 1 "RMS(OBS, PRED)" CA 73 2.745 1
99 1 17 1 "RMS(OBS, PRED)" CB 64 2.445 1
100 1 17 1 "RMS(OBS, PRED)" H 66 0.790 1
101 1 17 1 "RMS(OBS, PRED)" HA 81 0.452 1
102 1 17 1 "RMS(OBS, PRED)" N 66 3.523 1
103 1 18 1 "RMS(OBS, PRED)" C 66 2.704 1
104 1 18 1 "RMS(OBS, PRED)" CA 73 2.857 1
105 1 18 1 "RMS(OBS, PRED)" CB 64 2.574 1
106 1 18 1 "RMS(OBS, PRED)" H 66 0.826 1
107 1 18 1 "RMS(OBS, PRED)" HA 81 0.494 1
108 1 18 1 "RMS(OBS, PRED)" N 66 3.485 1
109 1 19 1 "RMS(OBS, PRED)" C 66 2.713 1
110 1 19 1 "RMS(OBS, PRED)" CA 73 2.679 1
111 1 19 1 "RMS(OBS, PRED)" CB 64 2.561 1
112 1 19 1 "RMS(OBS, PRED)" H 66 0.799 1
113 1 19 1 "RMS(OBS, PRED)" HA 81 0.493 1
114 1 19 1 "RMS(OBS, PRED)" N 66 3.740 1
115 1 20 1 "RMS(OBS, PRED)" C 66 2.792 1
116 1 20 1 "RMS(OBS, PRED)" CA 73 2.884 1
117 1 20 1 "RMS(OBS, PRED)" CB 64 2.300 1
118 1 20 1 "RMS(OBS, PRED)" H 66 0.795 1
119 1 20 1 "RMS(OBS, PRED)" HA 81 0.463 1
120 1 20 1 "RMS(OBS, PRED)" N 66 3.496 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 3 . 1 1 A 1 1 ALA HA H 5 4.015 4.386 -0.371 2
1 7 . 1 1 A 2 2 THR H H 6 7.608 8.315 -0.707 2
1 8 . 1 1 A 2 2 THR C C 2 174.815 174.583 0.232 2
1 9 . 1 1 A 2 2 THR CA C 2 56.801 63.284 -6.483 2
1 10 . 1 1 A 2 2 THR CB C 2 68.857 69.352 -0.495 2
1 11 . 1 1 A 2 2 THR N N 6 113.279 120.041 -6.762 2
1 12 . 1 1 A 5 5 PRO HA H 5 4.493 4.386 0.107 2
1 19 . 1 1 A 5 5 PRO CA C 5 61.290 63.195 -1.905 2
1 20 . 1 1 A 5 5 PRO CB C 5 30.190 31.927 -1.737 2
1 23 . 1 1 A 6 6 VAL H H 6 7.794 8.315 -0.521 2
1 24 . 1 1 A 6 6 VAL HA H 6 3.880 4.285 -0.405 2
1 32 . 1 1 A 6 6 VAL C C 6 175.059 175.901 -0.842 2
1 33 . 1 1 A 6 6 VAL CA C 6 59.560 62.711 -3.151 2
1 34 . 1 1 A 6 6 VAL CB C 6 30.680 31.961 -1.281 2
1 37 . 1 1 A 6 6 VAL N N 6 118.616 120.041 -1.425 2
1 38 . 1 1 A 7 7 ALA H H 7 8.029 8.610 -0.581 2
1 39 . 1 1 A 7 7 ALA HA H 7 4.167 4.121 0.046 2
1 43 . 1 1 A 7 7 ALA C C 7 173.395 177.694 -4.299 2
1 44 . 1 1 A 7 7 ALA CA C 7 50.780 52.669 -1.889 2
1 45 . 1 1 A 7 7 ALA CB C 7 18.292 18.870 -0.578 2
1 46 . 1 1 A 7 7 ALA N N 7 126.653 128.018 -1.365 2
1 47 . 1 1 A 8 8 GLU H H 8 8.587 8.104 0.483 2
1 48 . 1 1 A 8 8 GLU HA H 8 4.085 3.817 0.268 2
1 53 . 1 1 A 8 8 GLU C C 8 176.717 176.720 -0.003 2
1 54 . 1 1 A 8 8 GLU CA C 8 56.520 58.501 -1.981 2
1 55 . 1 1 A 8 8 GLU CB C 8 27.393 27.322 0.071 2
1 57 . 1 1 A 8 8 GLU N N 8 118.049 113.320 4.729 2
1 58 . 1 1 A 9 9 CYS H H 9 7.348 8.130 -0.781 2
1 59 . 1 1 A 9 9 CYS HA H 9 4.422 4.580 -0.158 2
1 62 . 1 1 A 9 9 CYS C C 9 173.399 173.557 -0.158 2
1 63 . 1 1 A 9 9 CYS CA C 9 51.850 57.297 -5.447 2
1 64 . 1 1 A 9 9 CYS CB C 9 38.617 42.906 -4.289 2
1 65 . 1 1 A 9 9 CYS N N 9 109.798 117.014 -7.216 2
1 66 . 1 1 A 10 10 VAL H H 10 7.682 7.438 0.244 2
1 67 . 1 1 A 10 10 VAL HA H 10 4.483 4.512 -0.029 2
1 75 . 1 1 A 10 10 VAL C C 10 172.261 174.649 -2.387 2
1 76 . 1 1 A 10 10 VAL CA C 10 60.360 60.669 -0.309 2
1 77 . 1 1 A 10 10 VAL CB C 10 29.445 33.440 -3.995 2
1 80 . 1 1 A 10 10 VAL N N 10 125.088 119.412 5.676 2
1 81 . 1 1 A 11 11 GLU H H 11 8.322 8.818 -0.496 2
1 82 . 1 1 A 11 11 GLU HA H 11 4.644 4.771 -0.127 2
1 87 . 1 1 A 11 11 GLU C C 11 172.004 174.649 -2.645 2
1 88 . 1 1 A 11 11 GLU CA C 11 51.852 54.630 -2.778 2
1 89 . 1 1 A 11 11 GLU CB C 11 31.925 33.394 -1.469 2
1 91 . 1 1 A 11 11 GLU N N 11 124.099 125.928 -1.829 2
1 92 . 1 1 A 12 12 TYR H H 12 7.843 8.510 -0.667 2
1 93 . 1 1 A 12 12 TYR HA H 12 5.697 6.267 -0.570 2
1 100 . 1 1 A 12 12 TYR C C 12 172.281 174.046 -1.764 2
1 101 . 1 1 A 12 12 TYR CA C 12 53.160 55.749 -2.589 2
1 102 . 1 1 A 12 12 TYR CB C 12 40.610 41.292 -0.682 2
1 103 . 1 1 A 12 12 TYR N N 12 115.283 125.263 -9.980 2
1 104 . 1 1 A 13 13 PHE H H 13 9.057 8.835 0.222 2
1 105 . 1 1 A 13 13 PHE HA H 13 4.750 5.139 -0.389 2
1 106 . 1 1 A 13 13 PHE C C 13 170.766 173.592 -2.826 2
1 107 . 1 1 A 13 13 PHE CA C 13 54.815 57.104 -2.289 2
1 108 . 1 1 A 13 13 PHE CB C 13 39.947 42.702 -2.755 2
1 109 . 1 1 A 13 13 PHE N N 13 119.347 120.471 -1.124 2
1 110 . 1 1 A 14 14 GLN HA H 14 5.302 4.909 0.393 2
1 113 . 1 1 A 14 14 GLN CA C 14 53.700 54.436 -0.736 2
1 114 . 1 1 A 14 14 GLN CB C 14 30.685 30.131 0.554 2
1 115 . 1 1 A 15 15 SER H H 15 8.657 9.016 -0.359 2
1 116 . 1 1 A 15 15 SER HA H 15 4.715 4.721 -0.006 2
1 117 . 1 1 A 15 15 SER C C 15 172.296 173.940 -1.644 2
1 118 . 1 1 A 15 15 SER CA C 15 54.708 56.716 -2.008 2
1 119 . 1 1 A 15 15 SER CB C 15 64.456 64.099 0.357 2
1 120 . 1 1 A 15 15 SER N N 15 119.667 119.102 0.565 2
1 121 . 1 1 A 17 17 ARG HA H 17 3.413 4.140 -0.727 2
1 124 . 1 1 A 17 17 ARG CA C 17 55.648 56.511 -0.863 2
1 125 . 1 1 A 17 17 ARG CB C 17 29.496 29.191 0.305 2
1 126 . 1 1 A 18 18 TYR H H 18 6.870 7.725 -0.855 2
1 127 . 1 1 A 18 18 TYR HA H 18 5.233 4.995 0.238 2
1 134 . 1 1 A 18 18 TYR C C 18 174.107 174.292 -0.185 2
1 135 . 1 1 A 18 18 TYR CA C 18 54.231 57.248 -3.017 2
1 136 . 1 1 A 18 18 TYR CB C 18 40.725 40.331 0.394 2
1 137 . 1 1 A 18 18 TYR N N 18 114.525 119.979 -5.454 2
1 138 . 1 1 A 19 19 THR H H 19 8.684 9.179 -0.495 2
1 139 . 1 1 A 19 19 THR HA H 19 5.061 5.228 -0.167 2
1 144 . 1 1 A 19 19 THR C C 19 173.054 173.391 -0.337 2
1 145 . 1 1 A 19 19 THR CA C 19 60.704 62.548 -1.844 2
1 146 . 1 1 A 19 19 THR CB C 19 67.997 68.465 -0.468 2
1 148 . 1 1 A 19 19 THR N N 19 119.368 123.800 -4.432 2
1 149 . 1 1 A 20 20 ASP H H 20 8.975 8.609 0.366 2
1 150 . 1 1 A 20 20 ASP HA H 20 5.690 4.785 0.905 2
1 153 . 1 1 A 20 20 ASP C C 20 171.832 174.597 -2.765 2
1 154 . 1 1 A 20 20 ASP CA C 20 52.039 52.765 -0.726 2
1 155 . 1 1 A 20 20 ASP CB C 20 42.292 40.592 1.700 2
1 156 . 1 1 A 20 20 ASP N N 20 128.307 126.829 1.478 2
1 157 . 1 1 A 21 21 VAL H H 21 9.496 8.332 1.164 2
1 158 . 1 1 A 21 21 VAL HA H 21 4.775 4.790 -0.015 2
1 166 . 1 1 A 21 21 VAL C C 21 173.611 174.506 -0.895 2
1 167 . 1 1 A 21 21 VAL CA C 21 59.478 60.707 -1.229 2
1 168 . 1 1 A 21 21 VAL CB C 21 32.243 33.490 -1.247 2
1 171 . 1 1 A 21 21 VAL N N 21 123.356 125.111 -1.755 2
1 172 . 1 1 A 22 22 HIS H H 22 8.973 8.594 0.379 2
1 173 . 1 1 A 22 22 HIS HA H 22 4.622 5.914 -1.292 2
1 177 . 1 1 A 22 22 HIS C C 22 171.626 173.805 -2.179 2
1 178 . 1 1 A 22 22 HIS CA C 22 49.980 54.484 -4.504 2
1 179 . 1 1 A 22 22 HIS CB C 22 28.390 31.497 -3.107 2
1 180 . 1 1 A 22 22 HIS N N 22 124.534 127.038 -2.504 2
1 181 . 1 1 A 23 23 ASN H H 23 8.317 9.101 -0.784 2
1 182 . 1 1 A 23 23 ASN HA H 23 4.517 4.841 -0.324 2
1 185 . 1 1 A 23 23 ASN C C 23 171.836 176.160 -4.324 2
1 186 . 1 1 A 23 23 ASN CA C 23 49.380 53.517 -4.136 2
1 187 . 1 1 A 23 23 ASN CB C 23 36.018 39.942 -3.924 2
1 188 . 1 1 A 23 23 ASN N N 23 123.095 124.155 -1.060 2
1 189 . 1 1 A 24 24 GLY H H 24 7.602 8.637 -1.035 2
1 190 . 1 1 A 24 24 GLY HA2 H 24 4.051 4.211 -0.160 2
1 191 . 1 1 A 24 24 GLY HA3 H 24 3.381 4.214 -0.833 2
1 192 . 1 1 A 24 24 GLY C C 24 171.684 174.737 -3.053 2
1 193 . 1 1 A 24 24 GLY CA C 24 42.936 45.666 -2.730 2
1 194 . 1 1 A 24 24 GLY N N 24 113.217 110.227 2.990 2
1 195 . 1 1 A 25 25 CYS H H 25 8.145 7.981 0.164 2
1 196 . 1 1 A 25 25 CYS HA H 25 4.544 4.670 -0.126 2
1 199 . 1 1 A 25 25 CYS C C 25 172.305 173.690 -1.385 2
1 200 . 1 1 A 25 25 CYS CA C 25 50.790 56.655 -5.865 2
1 201 . 1 1 A 25 25 CYS CB C 25 39.528 43.306 -3.778 2
1 202 . 1 1 A 25 25 CYS N N 25 119.843 118.498 1.346 2
1 203 . 1 1 A 26 26 ALA H H 26 8.111 8.263 -0.152 2
1 204 . 1 1 A 26 26 ALA HA H 26 4.084 4.153 -0.069 2
1 208 . 1 1 A 26 26 ALA C C 26 172.481 176.120 -3.639 2
1 209 . 1 1 A 26 26 ALA CA C 26 50.950 53.989 -3.039 2
1 210 . 1 1 A 26 26 ALA CB C 26 17.251 18.664 -1.413 2
1 211 . 1 1 A 26 26 ALA N N 26 119.852 123.117 -3.265 2
1 212 . 1 1 A 27 27 ASP H H 27 6.938 7.697 -0.759 2
1 213 . 1 1 A 27 27 ASP HA H 27 4.787 5.246 -0.459 2
1 216 . 1 1 A 27 27 ASP C C 27 174.263 174.761 -0.498 2
1 217 . 1 1 A 27 27 ASP CA C 27 49.550 52.221 -2.671 2
1 218 . 1 1 A 27 27 ASP CB C 27 42.250 44.043 -1.793 2
1 219 . 1 1 A 27 27 ASP N N 27 113.761 116.511 -2.750 2
1 220 . 1 1 A 28 28 ALA H H 28 8.454 8.390 0.064 2
1 221 . 1 1 A 28 28 ALA HA H 28 3.986 4.897 -0.911 2
1 225 . 1 1 A 28 28 ALA C C 28 173.188 177.664 -4.476 2
1 226 . 1 1 A 28 28 ALA CA C 28 50.550 52.313 -1.763 2
1 227 . 1 1 A 28 28 ALA CB C 28 16.820 19.061 -2.241 2
1 228 . 1 1 A 28 28 ALA N N 28 121.635 123.458 -1.823 2
1 229 . 1 1 A 29 29 VAL H H 29 7.742 8.666 -0.924 2
1 230 . 1 1 A 29 29 VAL HA H 29 4.553 4.855 -0.302 2
1 238 . 1 1 A 29 29 VAL C C 29 174.826 174.264 0.562 2
1 239 . 1 1 A 29 29 VAL CA C 29 57.140 59.392 -2.252 2
1 240 . 1 1 A 29 29 VAL CB C 29 33.000 35.098 -2.098 2
1 243 . 1 1 A 29 29 VAL N N 29 113.732 118.204 -4.472 2
1 244 . 1 1 A 30 30 SER H H 30 8.101 8.838 -0.737 2
1 245 . 1 1 A 30 30 SER HA H 30 5.338 4.977 0.361 2
1 248 . 1 1 A 30 30 SER C C 30 171.613 174.389 -2.776 2
1 249 . 1 1 A 30 30 SER CA C 30 54.310 58.239 -3.929 2
1 250 . 1 1 A 30 30 SER CB C 30 62.237 63.950 -1.714 2
1 251 . 1 1 A 30 30 SER N N 30 118.729 121.359 -2.630 2
1 252 . 1 1 A 31 31 VAL H H 31 8.780 9.638 -0.858 2
1 253 . 1 1 A 31 31 VAL HA H 31 5.146 5.071 0.075 2
1 261 . 1 1 A 31 31 VAL C C 31 172.831 174.180 -1.349 2
1 262 . 1 1 A 31 31 VAL CA C 31 56.940 59.405 -2.465 2
1 263 . 1 1 A 31 31 VAL CB C 31 35.030 34.809 0.221 2
1 266 . 1 1 A 31 31 VAL N N 31 119.018 120.406 -1.389 2
1 267 . 1 1 A 32 32 THR H H 32 8.366 9.354 -0.988 2
1 268 . 1 1 A 32 32 THR HA H 32 4.498 4.883 -0.386 2
1 273 . 1 1 A 32 32 THR C C 32 171.480 172.571 -1.091 2
1 274 . 1 1 A 32 32 THR CA C 32 57.100 59.830 -2.730 2
1 275 . 1 1 A 32 32 THR CB C 32 67.767 71.781 -4.014 2
1 277 . 1 1 A 32 32 THR N N 32 115.885 117.895 -2.010 2
1 278 . 1 1 A 33 33 VAL H H 33 6.720 8.500 -1.780 2
1 279 . 1 1 A 33 33 VAL HA H 33 3.950 4.972 -1.022 2
1 287 . 1 1 A 33 33 VAL C C 33 169.808 173.294 -3.486 2
1 288 . 1 1 A 33 33 VAL CA C 33 57.990 59.067 -1.077 2
1 289 . 1 1 A 33 33 VAL CB C 33 32.331 34.663 -2.332 2
1 292 . 1 1 A 33 33 VAL N N 33 119.716 120.521 -0.805 2
1 293 . 1 1 A 34 34 GLU H H 34 7.670 9.076 -1.406 2
1 294 . 1 1 A 34 34 GLU HA H 34 4.187 4.581 -0.394 2
1 297 . 1 1 A 34 34 GLU C C 34 171.032 174.944 -3.912 2
1 298 . 1 1 A 34 34 GLU CA C 34 51.930 54.227 -2.297 2
1 299 . 1 1 A 34 34 GLU CB C 34 29.430 31.301 -1.871 2
1 300 . 1 1 A 34 34 GLU N N 34 123.182 124.463 -1.281 2
1 301 . 1 1 A 35 35 TYR H H 35 8.500 8.786 -0.286 2
1 302 . 1 1 A 35 35 TYR HA H 35 4.646 4.959 -0.313 2
1 309 . 1 1 A 35 35 TYR C C 35 172.817 177.244 -4.427 2
1 310 . 1 1 A 35 35 TYR CA C 35 55.880 57.928 -2.048 2
1 311 . 1 1 A 35 35 TYR CB C 35 38.300 40.317 -2.017 2
1 312 . 1 1 A 35 35 TYR N N 35 122.953 125.731 -2.778 2
1 313 . 1 1 A 36 36 THR H H 36 8.295 9.297 -1.002 2
1 314 . 1 1 A 36 36 THR HA H 36 3.731 3.925 -0.194 2
1 319 . 1 1 A 36 36 THR C C 36 175.873 175.224 0.649 2
1 320 . 1 1 A 36 36 THR CA C 36 65.169 66.432 -1.263 2
1 321 . 1 1 A 36 36 THR CB C 36 67.700 68.745 -1.045 2
1 323 . 1 1 A 36 36 THR N N 36 119.739 117.501 2.239 2
1 324 . 1 1 A 37 37 HIS H H 37 8.755 7.837 0.918 2
1 325 . 1 1 A 37 37 HIS HA H 37 4.807 4.643 0.164 2
1 329 . 1 1 A 37 37 HIS C C 37 173.381 176.001 -2.620 2
1 330 . 1 1 A 37 37 HIS CA C 37 53.412 57.751 -4.339 2
1 331 . 1 1 A 37 37 HIS CB C 37 27.137 30.959 -3.822 2
1 332 . 1 1 A 37 37 HIS N N 37 115.916 115.895 0.021 2
1 333 . 1 1 A 38 38 GLY H H 38 7.856 7.770 0.086 2
1 334 . 1 1 A 38 38 GLY HA2 H 38 4.091 4.103 -0.012 2
1 335 . 1 1 A 38 38 GLY HA3 H 38 3.795 4.161 -0.366 2
1 336 . 1 1 A 38 38 GLY C C 38 174.479 173.987 0.492 2
1 337 . 1 1 A 38 38 GLY CA C 38 43.935 45.516 -1.581 2
1 338 . 1 1 A 38 38 GLY N N 38 106.387 103.911 2.476 2
1 339 . 1 1 A 39 39 GLN H H 39 8.096 7.954 0.142 2
1 340 . 1 1 A 39 39 GLN HA H 39 4.239 4.371 -0.132 2
1 345 . 1 1 A 39 39 GLN C C 39 171.748 175.545 -3.797 2
1 346 . 1 1 A 39 39 GLN CA C 39 55.050 55.615 -0.565 2
1 347 . 1 1 A 39 39 GLN CB C 39 26.580 29.664 -3.084 2
1 349 . 1 1 A 39 39 GLN N N 39 119.846 119.808 0.038 2
1 350 . 1 1 A 40 40 TRP H H 40 8.286 8.592 -0.306 2
1 351 . 1 1 A 40 40 TRP HA H 40 4.961 4.684 0.277 2
1 358 . 1 1 A 40 40 TRP C C 40 172.966 176.095 -3.129 2
1 359 . 1 1 A 40 40 TRP CA C 40 55.210 57.568 -2.358 2
1 360 . 1 1 A 40 40 TRP CB C 40 28.161 29.567 -1.406 2
1 361 . 1 1 A 40 40 TRP N N 40 121.182 123.924 -2.741 2
1 363 . 1 1 A 41 41 ALA H H 41 7.947 8.504 -0.557 2
1 364 . 1 1 A 41 41 ALA HA H 41 4.641 4.418 0.223 2
1 368 . 1 1 A 41 41 ALA C C 41 174.070 176.982 -2.912 2
1 369 . 1 1 A 41 41 ALA CA C 41 47.995 52.590 -4.595 2
1 370 . 1 1 A 41 41 ALA CB C 41 18.627 20.809 -2.182 2
1 371 . 1 1 A 41 41 ALA N N 41 126.752 127.270 -0.518 2
1 372 . 1 1 A 42 42 PRO HA H 42 4.240 4.175 0.065 2
1 377 . 1 1 A 42 42 PRO CA C 42 60.853 62.578 -1.725 2
1 378 . 1 1 A 42 42 PRO CB C 42 30.203 29.358 0.845 2
1 379 . 1 1 A 43 43 CYS H H 43 8.229 8.327 -0.098 2
1 380 . 1 1 A 43 43 CYS HA H 43 4.643 5.096 -0.453 2
1 383 . 1 1 A 43 43 CYS C C 43 173.099 171.877 1.222 2
1 384 . 1 1 A 43 43 CYS CA C 43 53.574 56.535 -2.961 2
1 385 . 1 1 A 43 43 CYS CB C 43 39.464 45.064 -5.600 2
1 386 . 1 1 A 43 43 CYS N N 43 119.646 120.588 -0.942 2
1 387 . 1 1 A 44 44 ARG H H 44 8.931 9.464 -0.533 2
1 388 . 1 1 A 44 44 ARG HA H 44 4.653 4.845 -0.192 2
1 395 . 1 1 A 44 44 ARG C C 44 172.821 174.590 -1.769 2
1 396 . 1 1 A 44 44 ARG CA C 44 51.850 55.076 -3.226 2
1 397 . 1 1 A 44 44 ARG CB C 44 30.892 34.065 -3.173 2
1 400 . 1 1 A 44 44 ARG N N 44 128.546 126.175 2.371 2
1 401 . 1 1 A 45 45 VAL H H 45 8.242 8.630 -0.388 2
1 402 . 1 1 A 45 45 VAL HA H 45 4.625 4.522 0.103 2
1 410 . 1 1 A 45 45 VAL C C 45 172.339 175.112 -2.773 2
1 411 . 1 1 A 45 45 VAL CA C 45 59.800 62.379 -2.579 2
1 412 . 1 1 A 45 45 VAL CB C 45 29.914 33.056 -3.142 2
1 415 . 1 1 A 45 45 VAL N N 45 123.347 125.347 -2.000 2
1 416 . 1 1 A 46 46 ILE H H 46 9.161 9.360 -0.199 2
1 417 . 1 1 A 46 46 ILE HA H 46 4.241 4.745 -0.504 2
1 427 . 1 1 A 46 46 ILE C C 46 174.656 175.470 -0.813 2
1 428 . 1 1 A 46 46 ILE CA C 46 58.660 59.831 -1.171 2
1 429 . 1 1 A 46 46 ILE CB C 46 37.551 39.905 -2.354 2
1 432 . 1 1 A 46 46 ILE N N 46 128.086 128.634 -0.548 2
1 433 . 1 1 A 47 47 GLU H H 47 9.214 8.625 0.589 2
1 434 . 1 1 A 47 47 GLU HA H 47 4.182 4.743 -0.561 2
1 439 . 1 1 A 47 47 GLU C C 47 174.413 174.778 -0.365 2
1 440 . 1 1 A 47 47 GLU CA C 47 53.820 54.303 -0.483 2
1 441 . 1 1 A 47 47 GLU CB C 47 25.600 29.318 -3.718 2
1 443 . 1 1 A 47 47 GLU N N 47 129.614 126.374 3.240 2
1 444 . 1 1 A 48 48 PRO HA H 48 3.872 4.406 -0.534 2
1 451 . 1 1 A 48 48 PRO CA C 48 62.770 63.840 -1.070 2
1 452 . 1 1 A 48 48 PRO CB C 48 29.241 31.355 -2.114 2
1 455 . 1 1 A 49 49 GLY H H 49 8.330 8.690 -0.360 2
1 456 . 1 1 A 49 49 GLY HA2 H 49 4.140 3.975 0.165 2
1 457 . 1 1 A 49 49 GLY HA3 H 49 3.702 4.016 -0.314 2
1 458 . 1 1 A 49 49 GLY C C 49 176.101 174.565 1.536 2
1 459 . 1 1 A 49 49 GLY CA C 49 43.930 45.408 -1.478 2
1 460 . 1 1 A 49 49 GLY N N 49 115.617 113.086 2.531 2
1 461 . 1 1 A 50 50 GLY H H 50 8.496 8.692 -0.196 2
1 462 . 1 1 A 50 50 GLY HA2 H 50 4.374 4.102 0.272 2
1 463 . 1 1 A 50 50 GLY HA3 H 50 3.614 4.127 -0.513 2
1 464 . 1 1 A 50 50 GLY C C 50 172.758 173.695 -0.937 2
1 465 . 1 1 A 50 50 GLY CA C 50 42.550 44.241 -1.691 2
1 466 . 1 1 A 50 50 GLY N N 50 108.129 108.183 -0.053 2
1 467 . 1 1 A 51 51 TRP H H 51 8.184 8.732 -0.548 2
1 468 . 1 1 A 51 51 TRP HA H 51 5.778 6.440 -0.662 2
1 475 . 1 1 A 51 51 TRP C C 51 170.134 175.479 -5.345 2
1 476 . 1 1 A 51 51 TRP CA C 51 53.820 55.831 -2.011 2
1 477 . 1 1 A 51 51 TRP CB C 51 30.930 33.908 -2.978 2
1 478 . 1 1 A 51 51 TRP N N 51 117.328 120.289 -2.961 2
1 480 . 1 1 A 52 52 ALA H H 52 9.354 8.920 0.434 2
1 481 . 1 1 A 52 52 ALA HA H 52 4.654 4.915 -0.261 2
1 485 . 1 1 A 52 52 ALA C C 52 174.350 175.427 -1.077 2
1 486 . 1 1 A 52 52 ALA CA C 52 49.250 50.935 -1.685 2
1 487 . 1 1 A 52 52 ALA CB C 52 20.971 21.272 -0.301 2
1 488 . 1 1 A 52 52 ALA N N 52 122.785 123.104 -0.319 2
1 489 . 1 1 A 53 53 THR H H 53 8.059 8.447 -0.388 2
1 490 . 1 1 A 53 53 THR HA H 53 5.251 4.486 0.765 2
1 495 . 1 1 A 53 53 THR C C 53 173.703 173.797 -0.094 2
1 496 . 1 1 A 53 53 THR CA C 53 60.321 62.425 -2.104 2
1 497 . 1 1 A 53 53 THR CB C 53 69.150 69.098 0.052 2
1 499 . 1 1 A 53 53 THR N N 53 115.813 118.073 -2.260 2
1 500 . 1 1 A 54 54 PHE H H 54 9.370 8.548 0.822 2
1 501 . 1 1 A 54 54 PHE HA H 54 4.827 4.929 -0.102 2
1 508 . 1 1 A 54 54 PHE C C 54 171.593 174.983 -3.390 2
1 509 . 1 1 A 54 54 PHE CA C 54 53.813 56.485 -2.672 2
1 510 . 1 1 A 54 54 PHE CB C 54 40.556 42.997 -2.441 2
1 511 . 1 1 A 54 54 PHE N N 54 125.684 124.335 1.349 2
1 512 . 1 1 A 55 55 ALA H H 55 8.706 8.659 0.046 2
1 513 . 1 1 A 55 55 ALA HA H 55 4.362 4.261 0.101 2
1 517 . 1 1 A 55 55 ALA C C 55 173.468 177.929 -4.461 2
1 518 . 1 1 A 55 55 ALA CA C 55 52.010 52.269 -0.259 2
1 519 . 1 1 A 55 55 ALA CB C 55 16.740 19.031 -2.291 2
1 520 . 1 1 A 55 55 ALA N N 55 124.175 126.224 -2.049 2
1 521 . 1 1 A 56 56 GLY H H 56 7.517 8.667 -1.150 2
1 522 . 1 1 A 56 56 GLY HA2 H 56 4.252 4.144 0.108 2
1 523 . 1 1 A 56 56 GLY HA3 H 56 3.339 4.214 -0.875 2
1 524 . 1 1 A 56 56 GLY C C 56 178.583 173.452 5.131 2
1 525 . 1 1 A 56 56 GLY CA C 56 42.282 44.609 -2.327 2
1 526 . 1 1 A 56 56 GLY N N 56 110.256 110.707 -0.452 2
1 527 . 1 1 A 57 57 TYR H H 57 7.154 8.818 -1.664 2
1 528 . 1 1 A 57 57 TYR HA H 57 4.516 5.316 -0.800 2
1 535 . 1 1 A 57 57 TYR C C 57 170.587 175.938 -5.351 2
1 536 . 1 1 A 57 57 TYR CA C 57 55.130 57.188 -2.058 2
1 537 . 1 1 A 57 57 TYR CB C 57 36.127 38.239 -2.112 2
1 538 . 1 1 A 57 57 TYR N N 57 113.618 118.276 -4.658 2
1 539 . 1 1 A 58 58 GLY H H 58 8.498 8.416 0.082 2
1 540 . 1 1 A 58 58 GLY HA2 H 58 3.946 3.793 0.153 2
1 541 . 1 1 A 58 58 GLY HA3 H 58 3.420 3.906 -0.486 2
1 542 . 1 1 A 58 58 GLY C C 58 175.193 173.932 1.261 2
1 543 . 1 1 A 58 58 GLY CA C 58 43.806 45.336 -1.530 2
1 544 . 1 1 A 58 58 GLY N N 58 109.549 109.915 -0.366 2
1 545 . 1 1 A 59 59 THR H H 59 8.301 8.323 -0.022 2
1 546 . 1 1 A 59 59 THR HA H 59 4.277 4.209 0.068 2
1 547 . 1 1 A 59 59 THR C C 59 172.318 174.431 -2.113 2
1 548 . 1 1 A 59 59 THR CA C 59 60.637 63.020 -2.383 2
1 549 . 1 1 A 59 59 THR CB C 59 67.412 68.736 -1.324 2
1 550 . 1 1 A 59 59 THR N N 59 111.031 114.519 -3.488 2
1 551 . 1 1 A 60 60 ASP H H 60 8.414 8.615 -0.201 2
1 552 . 1 1 A 60 60 ASP HA H 60 4.679 4.440 0.239 2
1 555 . 1 1 A 60 60 ASP C C 60 173.345 175.788 -2.443 2
1 556 . 1 1 A 60 60 ASP CA C 60 51.030 54.948 -3.918 2
1 557 . 1 1 A 60 60 ASP CB C 60 38.608 40.023 -1.415 2
1 558 . 1 1 A 60 60 ASP N N 60 120.007 121.022 -1.015 2
1 559 . 1 1 A 61 61 GLY H H 61 7.967 8.175 -0.208 2
1 560 . 1 1 A 61 61 GLY HA2 H 61 3.550 3.973 -0.423 2
1 561 . 1 1 A 61 61 GLY HA3 H 61 2.879 4.024 -1.145 2
1 562 . 1 1 A 61 61 GLY C C 61 175.339 173.753 1.586 2
1 563 . 1 1 A 61 61 GLY CA C 61 44.956 45.569 -0.613 2
1 564 . 1 1 A 61 61 GLY N N 61 108.692 107.091 1.601 2
1 565 . 1 1 A 62 62 ASN H H 62 8.507 8.390 0.117 2
1 566 . 1 1 A 62 62 ASN HA H 62 4.455 5.236 -0.781 2
1 571 . 1 1 A 62 62 ASN C C 62 172.217 174.171 -1.954 2
1 572 . 1 1 A 62 62 ASN CA C 62 48.627 53.251 -4.624 2
1 573 . 1 1 A 62 62 ASN CB C 62 34.339 39.580 -5.241 2
1 574 . 1 1 A 62 62 ASN N N 62 120.625 119.418 1.207 2
1 576 . 1 1 A 63 63 TYR H H 63 6.994 8.763 -1.769 2
1 577 . 1 1 A 63 63 TYR HA H 63 4.477 5.143 -0.666 2
1 580 . 1 1 A 63 63 TYR C C 63 172.042 174.383 -2.341 2
1 581 . 1 1 A 63 63 TYR CA C 63 56.210 57.085 -0.875 2
1 582 . 1 1 A 63 63 TYR CB C 63 36.755 41.134 -4.379 2
1 583 . 1 1 A 63 63 TYR N N 63 116.333 122.188 -5.855 2
1 584 . 1 1 A 64 64 VAL H H 64 8.841 8.762 0.079 2
1 585 . 1 1 A 64 64 VAL HA H 64 3.689 3.817 -0.128 2
1 593 . 1 1 A 64 64 VAL C C 64 175.531 175.389 0.142 2
1 594 . 1 1 A 64 64 VAL CA C 64 61.550 62.623 -1.072 2
1 595 . 1 1 A 64 64 VAL CB C 64 30.583 31.722 -1.139 2
1 598 . 1 1 A 64 64 VAL N N 64 123.889 127.001 -3.112 2
1 599 . 1 1 A 65 65 THR H H 65 8.850 9.103 -0.253 2
1 600 . 1 1 A 65 65 THR HA H 65 4.210 4.293 -0.083 2
1 605 . 1 1 A 65 65 THR C C 65 175.388 174.683 0.705 2
1 606 . 1 1 A 65 65 THR CA C 65 60.109 61.390 -1.281 2
1 607 . 1 1 A 65 65 THR CB C 65 66.710 70.268 -3.558 2
1 609 . 1 1 A 65 65 THR N N 65 119.739 119.710 0.029 2
1 610 . 1 1 A 66 66 GLY H H 66 6.907 7.302 -0.395 2
1 611 . 1 1 A 66 66 GLY HA2 H 66 3.769 4.223 -0.454 2
1 612 . 1 1 A 66 66 GLY HA3 H 66 3.583 4.244 -0.661 2
1 613 . 1 1 A 66 66 GLY C C 66 173.131 171.750 1.381 2
1 614 . 1 1 A 66 66 GLY CA C 66 42.950 44.880 -1.930 2
1 615 . 1 1 A 66 66 GLY N N 66 108.712 109.116 -0.404 2
1 616 . 1 1 A 67 67 LEU H H 67 7.723 8.803 -1.080 2
1 617 . 1 1 A 67 67 LEU HA H 67 4.628 4.933 -0.305 2
1 626 . 1 1 A 67 67 LEU C C 67 167.522 175.919 -8.397 2
1 627 . 1 1 A 67 67 LEU CA C 67 51.200 54.389 -3.188 2
1 628 . 1 1 A 67 67 LEU CB C 67 42.747 42.742 0.005 2
1 631 . 1 1 A 67 67 LEU N N 67 118.448 126.265 -7.817 2
1 632 . 1 1 A 68 68 HIS H H 68 8.003 9.493 -1.490 2
1 633 . 1 1 A 68 68 HIS HA H 68 4.890 5.034 -0.144 2
1 637 . 1 1 A 68 68 HIS C C 68 174.161 174.069 0.092 2
1 638 . 1 1 A 68 68 HIS CA C 68 52.180 54.271 -2.091 2
1 639 . 1 1 A 68 68 HIS CB C 68 31.877 33.474 -1.597 2
1 640 . 1 1 A 68 68 HIS N N 68 116.650 120.611 -3.961 2
1 641 . 1 1 A 69 69 THR H H 69 8.515 8.724 -0.209 2
1 642 . 1 1 A 69 69 THR HA H 69 4.808 4.371 0.437 2
1 647 . 1 1 A 69 69 THR C C 69 172.511 174.001 -1.490 2
1 648 . 1 1 A 69 69 THR CA C 69 60.130 62.891 -2.761 2
1 649 . 1 1 A 69 69 THR CB C 69 67.840 69.058 -1.218 2
1 651 . 1 1 A 69 69 THR N N 69 114.721 117.424 -2.703 2
1 652 . 1 1 A 70 70 CYS H H 70 7.731 9.737 -2.006 2
1 653 . 1 1 A 70 70 CYS HA H 70 4.786 5.050 -0.264 2
1 656 . 1 1 A 70 70 CYS C C 70 172.053 172.865 -0.812 2
1 657 . 1 1 A 70 70 CYS CA C 70 51.950 55.064 -3.114 2
1 658 . 1 1 A 70 70 CYS CB C 70 43.320 44.552 -1.232 2
1 659 . 1 1 A 70 70 CYS N N 70 117.575 126.282 -8.707 2
1 660 . 1 1 A 71 71 ASP H H 71 8.370 8.825 -0.455 2
1 661 . 1 1 A 71 71 ASP HA H 71 4.993 5.242 -0.249 2
1 664 . 1 1 A 71 71 ASP C C 71 169.692 174.487 -4.795 2
1 665 . 1 1 A 71 71 ASP CA C 71 48.815 51.430 -2.615 2
1 666 . 1 1 A 71 71 ASP CB C 71 40.118 42.788 -2.671 2
1 667 . 1 1 A 71 71 ASP N N 71 120.975 121.937 -0.962 2
1 668 . 1 1 A 72 72 PRO HA H 72 4.145 4.419 -0.274 2
1 675 . 1 1 A 72 72 PRO CA C 72 61.360 62.934 -1.574 2
1 676 . 1 1 A 72 72 PRO CB C 72 30.141 30.974 -0.833 2
1 679 . 1 1 A 73 73 ALA H H 73 8.169 8.156 0.013 2
1 680 . 1 1 A 73 73 ALA HA H 73 4.247 4.623 -0.376 2
1 684 . 1 1 A 73 73 ALA C C 73 174.353 175.923 -1.569 2
1 685 . 1 1 A 73 73 ALA CA C 73 50.370 51.855 -1.485 2
1 686 . 1 1 A 73 73 ALA CB C 73 17.230 19.522 -2.292 2
1 687 . 1 1 A 73 73 ALA N N 73 122.390 125.070 -2.680 2
1 688 . 1 1 A 74 74 THR H H 74 7.704 8.743 -1.039 2
1 689 . 1 1 A 74 74 THR C C 74 175.770 173.525 2.245 2
1 690 . 1 1 A 74 74 THR CA C 74 57.794 59.838 -2.044 2
1 691 . 1 1 A 74 74 THR CB C 74 67.994 69.481 -1.487 2
1 692 . 1 1 A 74 74 THR N N 74 114.834 117.130 -2.296 2
1 693 . 1 1 A 75 75 PRO HA H 75 4.386 4.605 -0.219 2
1 700 . 1 1 A 75 75 PRO CA C 75 61.440 63.434 -1.994 2
1 701 . 1 1 A 75 75 PRO CB C 75 30.088 31.565 -1.477 2
1 704 . 1 1 A 76 76 SER H H 76 8.209 8.691 -0.482 2
1 705 . 1 1 A 76 76 SER HA H 76 4.373 4.647 -0.274 2
1 708 . 1 1 A 76 76 SER C C 76 175.051 174.534 0.517 2
1 709 . 1 1 A 76 76 SER CA C 76 56.360 58.319 -1.959 2
1 710 . 1 1 A 76 76 SER CB C 76 61.939 63.754 -1.815 2
1 711 . 1 1 A 76 76 SER N N 76 115.319 116.056 -0.737 2
1 712 . 1 1 A 77 77 GLY H H 77 8.124 8.373 -0.249 2
1 713 . 1 1 A 77 77 GLY HA2 H 77 4.093 4.022 0.071 2
1 714 . 1 1 A 77 77 GLY HA3 H 77 3.577 4.050 -0.473 2
1 715 . 1 1 A 77 77 GLY C C 77 173.087 173.718 -0.631 2
1 716 . 1 1 A 77 77 GLY CA C 77 43.555 45.776 -2.221 2
1 717 . 1 1 A 77 77 GLY N N 77 110.791 111.446 -0.655 2
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