data_16403_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16403
_Entry.PDB_ID 2KLX
_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 1 . 1 1 1 A 2 2 PRO C C -2 177.005 176.930 0.075 1
1 2 . 1 1 1 A 2 2 PRO CA C -2 63.481 62.642 0.839 1
1 3 . 1 1 1 A 2 2 PRO CB C -2 32.244 32.534 -0.290 1
1 4 . 1 1 1 A 3 3 GLY H H -1 8.665 8.354 0.311 1
1 5 . 1 1 1 A 3 3 GLY HA2 H -1 3.985 4.095 -0.110 1
1 6 . 1 1 1 A 3 3 GLY HA3 H -1 3.985 4.096 -0.111 1
1 7 . 1 1 1 A 3 3 GLY C C -1 173.706 172.980 0.726 1
1 8 . 1 1 1 A 3 3 GLY CA C -1 45.291 44.358 0.933 1
1 9 . 1 1 1 A 3 3 GLY N N -1 109.788 108.327 1.461 1
1 10 . 1 1 1 A 4 4 SER H H 0 8.190 8.856 -0.666 1
1 11 . 1 1 1 A 4 4 SER HA H 0 4.477 5.172 -0.695 1
1 14 . 1 1 1 A 4 4 SER C C 0 175.738 173.187 2.551 1
1 15 . 1 1 1 A 4 4 SER CA C 0 58.322 57.563 0.759 1
1 16 . 1 1 1 A 4 4 SER CB C 0 63.927 65.653 -1.726 1
1 17 . 1 1 1 A 4 4 SER N N 0 115.613 115.597 0.016 1
1 18 . 1 1 1 A 5 5 MET H H 1 8.458 9.073 -0.615 1
1 19 . 1 1 1 A 5 5 MET HA H 1 4.320 5.262 -0.942 1
1 27 . 1 1 1 A 5 5 MET C C 1 173.977 174.637 -0.660 1
1 28 . 1 1 1 A 5 5 MET CA C 1 56.011 53.304 2.707 1
1 29 . 1 1 1 A 5 5 MET CB C 1 33.797 34.955 -1.158 1
1 30 . 1 1 1 A 5 5 MET N N 1 122.334 122.951 -0.617 1
1 31 . 1 1 1 A 6 6 LYS H H 2 8.445 8.695 -0.250 1
1 32 . 1 1 1 A 6 6 LYS HA H 2 4.566 4.680 -0.114 1
1 39 . 1 1 1 A 6 6 LYS C C 2 174.575 175.685 -1.110 1
1 40 . 1 1 1 A 6 6 LYS CA C 2 55.887 55.073 0.814 1
1 41 . 1 1 1 A 6 6 LYS CB C 2 33.848 34.159 -0.311 1
1 42 . 1 1 1 A 6 6 LYS N N 2 122.229 122.642 -0.413 1
1 43 . 1 1 1 A 7 7 GLU H H 3 8.324 9.206 -0.882 1
1 44 . 1 1 1 A 7 7 GLU HA H 3 4.440 5.005 -0.565 1
1 49 . 1 1 1 A 7 7 GLU C C 3 175.491 173.998 1.493 1
1 50 . 1 1 1 A 7 7 GLU CA C 3 55.680 54.585 1.095 1
1 51 . 1 1 1 A 7 7 GLU CB C 3 31.513 33.384 -1.871 1
1 52 . 1 1 1 A 7 7 GLU N N 3 121.539 117.171 4.368 1
1 53 . 1 1 1 A 8 8 ILE H H 4 9.014 8.986 0.028 1
1 54 . 1 1 1 A 8 8 ILE HA H 4 5.025 5.056 -0.031 1
1 64 . 1 1 1 A 8 8 ILE C C 4 174.199 173.696 0.503 1
1 65 . 1 1 1 A 8 8 ILE CA C 4 60.927 59.927 1.000 1
1 66 . 1 1 1 A 8 8 ILE CB C 4 38.759 41.009 -2.250 1
1 69 . 1 1 1 A 8 8 ILE N N 4 127.255 124.127 3.128 1
1 70 . 1 1 1 A 9 9 ILE H H 5 9.104 9.356 -0.252 1
1 71 . 1 1 1 A 9 9 ILE HA H 5 4.900 4.862 0.038 1
1 81 . 1 1 1 A 9 9 ILE C C 5 173.906 175.214 -1.308 1
1 82 . 1 1 1 A 9 9 ILE CA C 5 59.727 60.065 -0.338 1
1 83 . 1 1 1 A 9 9 ILE CB C 5 41.627 41.124 0.503 1
1 87 . 1 1 1 A 9 9 ILE N N 5 128.326 129.140 -0.814 1
1 88 . 1 1 1 A 10 10 LEU H H 6 8.891 9.033 -0.142 1
1 89 . 1 1 1 A 10 10 LEU HA H 6 5.157 5.210 -0.053 1
1 96 . 1 1 1 A 10 10 LEU CA C 6 54.076 53.266 0.810 1
1 97 . 1 1 1 A 10 10 LEU CB C 6 44.892 44.086 0.806 1
1 100 . 1 1 1 A 10 10 LEU N N 6 125.779 126.875 -1.096 1
1 101 . 1 1 1 A 11 11 TYR H H 7 9.099 9.124 -0.025 1
1 102 . 1 1 1 A 11 11 TYR HA H 7 4.336 5.268 -0.932 1
1 109 . 1 1 1 A 11 11 TYR C C 7 177.041 175.454 1.587 1
1 110 . 1 1 1 A 11 11 TYR CA C 7 57.379 56.569 0.810 1
1 111 . 1 1 1 A 11 11 TYR CB C 7 40.345 39.741 0.604 1
1 112 . 1 1 1 A 12 12 THR H H 8 9.286 8.608 0.678 1
1 113 . 1 1 1 A 12 12 THR HA H 8 5.105 5.057 0.048 1
1 118 . 1 1 1 A 12 12 THR C C 8 172.005 173.148 -1.143 1
1 119 . 1 1 1 A 12 12 THR CA C 8 60.604 61.050 -0.446 1
1 120 . 1 1 1 A 12 12 THR CB C 8 73.108 71.007 2.101 1
1 122 . 1 1 1 A 12 12 THR N N 8 111.938 115.083 -3.145 1
1 123 . 1 1 1 A 13 13 ARG H H 9 7.513 8.535 -1.022 1
1 124 . 1 1 1 A 13 13 ARG HA H 9 4.826 4.806 0.020 1
1 131 . 1 1 1 A 13 13 ARG CA C 9 52.836 54.179 -1.343 1
1 132 . 1 1 1 A 13 13 ARG CB C 9 31.436 30.941 0.495 1
1 133 . 1 1 1 A 13 13 ARG N N 9 114.036 120.346 -6.310 1
1 134 . 1 1 1 A 14 14 PRO HA H 10 4.294 4.462 -0.168 1
1 141 . 1 1 1 A 14 14 PRO C C 10 176.477 176.439 0.038 1
1 142 . 1 1 1 A 14 14 PRO CA C 10 63.464 64.195 -0.731 1
1 143 . 1 1 1 A 14 14 PRO CB C 10 32.615 31.605 1.010 1
1 144 . 1 1 1 A 15 15 ASN H H 11 8.987 8.309 0.678 1
1 145 . 1 1 1 A 15 15 ASN HA H 11 4.240 4.910 -0.670 1
1 150 . 1 1 1 A 15 15 ASN C C 11 176.266 173.751 2.515 1
1 151 . 1 1 1 A 15 15 ASN CA C 11 54.464 52.584 1.880 1
1 152 . 1 1 1 A 15 15 ASN CB C 11 37.500 37.628 -0.128 1
1 154 . 1 1 1 A 15 15 ASN N N 11 115.463 115.969 -0.506 1
1 156 . 1 1 1 A 16 16 CYS H H 12 7.324 7.793 -0.469 1
1 157 . 1 1 1 A 16 16 CYS HA H 12 4.931 4.705 0.226 1
1 160 . 1 1 1 A 16 16 CYS CA C 12 56.277 56.265 0.012 1
1 161 . 1 1 1 A 16 16 CYS N N 12 123.174 117.700 5.474 1
1 162 . 1 1 1 A 17 17 PRO C C 13 178.555 176.856 1.699 1
1 163 . 1 1 1 A 17 17 PRO CA C 13 64.409 64.162 0.247 1
1 164 . 1 1 1 A 17 17 PRO CB C 13 33.538 31.807 1.731 1
1 165 . 1 1 1 A 18 18 TYR H H 14 9.325 7.543 1.782 1
1 166 . 1 1 1 A 18 18 TYR HA H 14 4.404 4.563 -0.159 1
1 173 . 1 1 1 A 18 18 TYR CA C 14 60.921 59.382 1.539 1
1 174 . 1 1 1 A 18 18 TYR N N 14 127.149 116.014 11.135 1
1 175 . 1 1 1 A 19 19 CYS H H 15 9.687 7.646 2.041 1
1 176 . 1 1 1 A 19 19 CYS HA H 15 4.725 4.272 0.453 1
1 177 . 1 1 1 A 19 19 CYS C C 15 174.998 176.931 -1.933 1
1 178 . 1 1 1 A 19 19 CYS CA C 15 64.573 61.517 3.056 1
1 179 . 1 1 1 A 19 19 CYS CB C 15 29.227 26.967 2.260 1
1 180 . 1 1 1 A 19 19 CYS N N 15 127.652 119.823 7.829 1
1 181 . 1 1 1 A 20 20 LYS H H 16 7.706 8.007 -0.301 1
1 182 . 1 1 1 A 20 20 LYS HA H 16 3.946 3.915 0.031 1
1 191 . 1 1 1 A 20 20 LYS C C 16 177.252 179.549 -2.297 1
1 192 . 1 1 1 A 20 20 LYS CA C 16 59.857 59.697 0.160 1
1 193 . 1 1 1 A 20 20 LYS CB C 16 32.542 32.298 0.244 1
1 194 . 1 1 1 A 20 20 LYS N N 16 119.200 120.944 -1.744 1
1 195 . 1 1 1 A 21 21 ARG H H 17 7.839 8.138 -0.299 1
1 196 . 1 1 1 A 21 21 ARG HA H 17 4.176 4.095 0.081 1
1 203 . 1 1 1 A 21 21 ARG C C 17 179.858 179.134 0.724 1
1 204 . 1 1 1 A 21 21 ARG CA C 17 59.647 59.225 0.422 1
1 205 . 1 1 1 A 21 21 ARG CB C 17 30.340 30.318 0.022 1
1 206 . 1 1 1 A 21 21 ARG N N 17 117.964 119.876 -1.912 1
1 207 . 1 1 1 A 22 22 ALA H H 18 8.084 7.998 0.086 1
1 208 . 1 1 1 A 22 22 ALA HA H 18 4.168 4.155 0.013 1
1 212 . 1 1 1 A 22 22 ALA C C 18 177.322 179.574 -2.252 1
1 213 . 1 1 1 A 22 22 ALA CA C 18 55.859 55.419 0.440 1
1 214 . 1 1 1 A 22 22 ALA CB C 18 19.047 18.400 0.647 1
1 215 . 1 1 1 A 22 22 ALA N N 18 124.839 121.837 3.002 1
1 216 . 1 1 1 A 23 23 ARG H H 19 7.811 7.947 -0.136 1
1 217 . 1 1 1 A 23 23 ARG HA H 19 3.320 3.564 -0.244 1
1 224 . 1 1 1 A 23 23 ARG C C 19 177.217 178.007 -0.790 1
1 225 . 1 1 1 A 23 23 ARG CA C 19 60.780 58.767 2.013 1
1 226 . 1 1 1 A 23 23 ARG CB C 19 30.828 29.916 0.912 1
1 227 . 1 1 1 A 23 23 ARG N N 19 116.980 117.248 -0.268 1
1 228 . 1 1 1 A 24 24 ASP H H 20 8.710 8.052 0.658 1
1 229 . 1 1 1 A 24 24 ASP HA H 20 4.299 4.387 -0.088 1
1 232 . 1 1 1 A 24 24 ASP C C 20 178.625 178.313 0.312 1
1 233 . 1 1 1 A 24 24 ASP CA C 20 57.477 57.729 -0.252 1
1 234 . 1 1 1 A 24 24 ASP CB C 20 40.551 41.457 -0.906 1
1 235 . 1 1 1 A 24 24 ASP N N 20 116.717 119.816 -3.099 1
1 236 . 1 1 1 A 25 25 LEU H H 21 7.114 8.044 -0.930 1
1 237 . 1 1 1 A 25 25 LEU HA H 21 4.131 4.097 0.034 1
1 246 . 1 1 1 A 25 25 LEU C C 21 177.580 178.529 -0.949 1
1 247 . 1 1 1 A 25 25 LEU CA C 21 57.857 58.353 -0.496 1
1 248 . 1 1 1 A 25 25 LEU CB C 21 41.654 41.402 0.252 1
1 251 . 1 1 1 A 25 25 LEU N N 21 119.808 120.594 -0.786 1
1 252 . 1 1 1 A 26 26 LEU H H 22 7.294 8.183 -0.889 1
1 253 . 1 1 1 A 26 26 LEU HA H 22 3.767 3.852 -0.085 1
1 262 . 1 1 1 A 26 26 LEU C C 22 178.696 178.806 -0.110 1
1 263 . 1 1 1 A 26 26 LEU CA C 22 58.107 58.205 -0.098 1
1 264 . 1 1 1 A 26 26 LEU CB C 22 40.750 41.910 -1.160 1
1 267 . 1 1 1 A 26 26 LEU N N 22 117.901 118.901 -1.000 1
1 268 . 1 1 1 A 27 27 ASP H H 23 9.446 8.334 1.112 1
1 269 . 1 1 1 A 27 27 ASP HA H 23 4.608 4.523 0.085 1
1 272 . 1 1 1 A 27 27 ASP C C 23 180.104 178.587 1.517 1
1 273 . 1 1 1 A 27 27 ASP CA C 23 57.406 57.418 -0.012 1
1 274 . 1 1 1 A 27 27 ASP CB C 23 39.839 42.023 -2.184 1
1 275 . 1 1 1 A 27 27 ASP N N 23 119.946 118.651 1.295 1
1 276 . 1 1 1 A 28 28 LYS H H 24 7.915 8.036 -0.121 1
1 277 . 1 1 1 A 28 28 LYS HA H 24 4.079 3.975 0.104 1
1 286 . 1 1 1 A 28 28 LYS C C 24 178.414 179.296 -0.882 1
1 287 . 1 1 1 A 28 28 LYS CA C 24 59.295 59.430 -0.135 1
1 288 . 1 1 1 A 28 28 LYS CB C 24 32.342 32.218 0.124 1
1 289 . 1 1 1 A 28 28 LYS N N 24 122.484 118.929 3.555 1
1 290 . 1 1 1 A 29 29 LYS H H 25 7.763 7.715 0.048 1
1 291 . 1 1 1 A 29 29 LYS HA H 25 4.195 4.182 0.013 1
1 300 . 1 1 1 A 29 29 LYS C C 25 176.583 177.014 -0.431 1
1 301 . 1 1 1 A 29 29 LYS CA C 25 56.122 56.730 -0.608 1
1 302 . 1 1 1 A 29 29 LYS CB C 25 32.771 32.833 -0.062 1
1 303 . 1 1 1 A 29 29 LYS N N 25 116.683 115.978 0.705 1
1 304 . 1 1 1 A 30 30 GLY H H 26 7.961 8.066 -0.105 1
1 305 . 1 1 1 A 30 30 GLY HA2 H 26 4.005 4.037 -0.032 1
1 306 . 1 1 1 A 30 30 GLY HA3 H 26 3.894 4.043 -0.149 1
1 307 . 1 1 1 A 30 30 GLY C C 26 174.223 173.991 0.232 1
1 308 . 1 1 1 A 30 30 GLY CA C 26 46.265 46.244 0.021 1
1 309 . 1 1 1 A 30 30 GLY N N 26 108.209 106.901 1.308 1
1 310 . 1 1 1 A 31 31 VAL H H 27 7.440 7.382 0.058 1
1 311 . 1 1 1 A 31 31 VAL HA H 27 4.355 4.867 -0.512 1
1 319 . 1 1 1 A 31 31 VAL C C 27 174.294 174.551 -0.257 1
1 320 . 1 1 1 A 31 31 VAL CA C 27 60.115 59.386 0.729 1
1 321 . 1 1 1 A 31 31 VAL CB C 27 33.737 35.679 -1.942 1
1 323 . 1 1 1 A 31 31 VAL N N 27 114.927 114.616 0.311 1
1 324 . 1 1 1 A 32 32 LYS H H 28 8.408 8.577 -0.169 1
1 325 . 1 1 1 A 32 32 LYS HA H 28 4.268 4.870 -0.602 1
1 334 . 1 1 1 A 32 32 LYS C C 28 175.385 174.904 0.481 1
1 335 . 1 1 1 A 32 32 LYS CA C 28 55.441 54.991 0.450 1
1 336 . 1 1 1 A 32 32 LYS CB C 28 33.269 33.773 -0.504 1
1 337 . 1 1 1 A 32 32 LYS N N 28 124.540 120.839 3.701 1
1 338 . 1 1 1 A 33 33 TYR H H 29 7.451 8.761 -1.310 1
1 339 . 1 1 1 A 33 33 TYR HA H 29 5.149 5.748 -0.599 1
1 346 . 1 1 1 A 33 33 TYR C C 29 173.730 174.781 -1.051 1
1 347 . 1 1 1 A 33 33 TYR CA C 29 57.198 55.484 1.714 1
1 348 . 1 1 1 A 33 33 TYR CB C 29 41.499 41.026 0.473 1
1 353 . 1 1 1 A 33 33 TYR N N 29 117.090 122.271 -5.181 1
1 354 . 1 1 1 A 34 34 THR H H 30 9.106 9.033 0.073 1
1 355 . 1 1 1 A 34 34 THR HA H 30 4.368 4.808 -0.440 1
1 360 . 1 1 1 A 34 34 THR C C 30 171.336 173.289 -1.953 1
1 361 . 1 1 1 A 34 34 THR CA C 30 62.096 61.841 0.255 1
1 362 . 1 1 1 A 34 34 THR CB C 30 70.603 69.579 1.024 1
1 364 . 1 1 1 A 34 34 THR N N 30 119.343 117.754 1.589 1
1 365 . 1 1 1 A 35 35 ASP H H 31 8.772 8.861 -0.089 1
1 366 . 1 1 1 A 35 35 ASP HA H 31 5.283 5.043 0.240 1
1 369 . 1 1 1 A 35 35 ASP C C 31 175.245 175.138 0.107 1
1 370 . 1 1 1 A 35 35 ASP CA C 31 52.549 53.165 -0.616 1
1 371 . 1 1 1 A 35 35 ASP CB C 31 42.286 41.610 0.676 1
1 372 . 1 1 1 A 35 35 ASP N N 31 129.184 126.655 2.529 1
1 373 . 1 1 1 A 36 36 ILE H H 32 9.283 9.036 0.247 1
1 374 . 1 1 1 A 36 36 ILE HA H 32 4.081 4.404 -0.323 1
1 384 . 1 1 1 A 36 36 ILE C C 32 175.854 175.547 0.307 1
1 385 . 1 1 1 A 36 36 ILE CA C 32 60.226 60.318 -0.092 1
1 386 . 1 1 1 A 36 36 ILE CB C 32 39.998 38.271 1.727 1
1 388 . 1 1 1 A 36 36 ILE N N 32 129.240 125.804 3.436 1
1 389 . 1 1 1 A 37 37 ASP H H 33 8.298 8.829 -0.531 1
1 390 . 1 1 1 A 37 37 ASP HA H 33 4.648 4.591 0.057 1
1 393 . 1 1 1 A 37 37 ASP CA C 33 54.101 54.726 -0.625 1
1 394 . 1 1 1 A 37 37 ASP CB C 33 40.536 41.344 -0.808 1
1 395 . 1 1 1 A 37 37 ASP N N 33 125.570 127.762 -2.192 1
1 396 . 1 1 1 A 38 38 ALA H H 34 9.840 8.712 1.128 1
1 397 . 1 1 1 A 38 38 ALA HA H 34 4.620 4.022 0.598 1
1 401 . 1 1 1 A 38 38 ALA C C 34 175.185 177.893 -2.708 1
1 402 . 1 1 1 A 38 38 ALA CA C 34 51.239 54.928 -3.689 1
1 403 . 1 1 1 A 38 38 ALA CB C 34 20.627 18.427 2.200 1
1 404 . 1 1 1 A 38 38 ALA N N 34 134.980 124.804 10.176 1
1 405 . 1 1 1 A 39 39 SER H H 35 8.679 7.692 0.987 1
1 406 . 1 1 1 A 39 39 SER HA H 35 4.189 4.349 -0.160 1
1 409 . 1 1 1 A 39 39 SER C C 35 175.713 175.769 -0.056 1
1 410 . 1 1 1 A 39 39 SER CA C 35 60.956 59.002 1.954 1
1 411 . 1 1 1 A 39 39 SER CB C 35 64.425 63.080 1.345 1
1 412 . 1 1 1 A 39 39 SER N N 35 111.865 114.351 -2.486 1
1 413 . 1 1 1 A 40 40 THR H H 36 8.438 8.709 -0.271 1
1 414 . 1 1 1 A 40 40 THR HA H 36 4.672 3.919 0.753 1
1 419 . 1 1 1 A 40 40 THR CA C 36 59.859 65.262 -5.403 1
1 421 . 1 1 1 A 40 40 THR N N 36 114.335 117.690 -3.355 1
1 422 . 1 1 1 A 41 41 SER C C 37 174.129 175.676 -1.547 1
1 423 . 1 1 1 A 41 41 SER CA C 37 60.964 61.071 -0.107 1
1 424 . 1 1 1 A 41 41 SER CB C 37 63.605 63.342 0.263 1
1 425 . 1 1 1 A 42 42 LEU H H 38 8.643 7.755 0.888 1
1 426 . 1 1 1 A 42 42 LEU HA H 38 4.679 4.378 0.301 1
1 436 . 1 1 1 A 42 42 LEU C C 38 176.347 177.989 -1.642 1
1 437 . 1 1 1 A 42 42 LEU CA C 38 54.842 55.699 -0.857 1
1 438 . 1 1 1 A 42 42 LEU CB C 38 41.117 43.596 -2.479 1
1 439 . 1 1 1 A 42 42 LEU N N 38 121.245 118.551 2.694 1
1 440 . 1 1 1 A 43 43 ARG H H 39 7.583 8.306 -0.723 1
1 441 . 1 1 1 A 43 43 ARG HA H 39 4.173 4.079 0.094 1
1 448 . 1 1 1 A 43 43 ARG C C 39 175.925 178.445 -2.520 1
1 449 . 1 1 1 A 43 43 ARG CA C 39 60.907 59.881 1.026 1
1 450 . 1 1 1 A 43 43 ARG N N 39 123.341 120.954 2.387 1
1 451 . 1 1 1 A 44 44 GLN H H 40 8.203 8.151 0.052 1
1 452 . 1 1 1 A 44 44 GLN HA H 40 3.974 3.939 0.035 1
1 459 . 1 1 1 A 44 44 GLN C C 40 175.608 178.065 -2.457 1
1 460 . 1 1 1 A 44 44 GLN CA C 40 58.622 59.187 -0.565 1
1 461 . 1 1 1 A 44 44 GLN CB C 40 28.591 28.234 0.357 1
1 464 . 1 1 1 A 44 44 GLN N N 40 114.940 118.591 -3.651 1
1 466 . 1 1 1 A 45 45 GLU H H 41 7.616 8.311 -0.695 1
1 467 . 1 1 1 A 45 45 GLU HA H 41 3.947 4.248 -0.301 1
1 472 . 1 1 1 A 45 45 GLU CA C 41 59.009 59.512 -0.503 1
1 473 . 1 1 1 A 45 45 GLU CB C 41 30.110 29.260 0.850 1
1 474 . 1 1 1 A 45 45 GLU N N 41 120.916 117.713 3.203 1
1 475 . 1 1 1 A 46 46 MET H H 42 7.474 8.190 -0.716 1
1 476 . 1 1 1 A 46 46 MET HA H 42 4.778 4.202 0.576 1
1 483 . 1 1 1 A 46 46 MET C C 42 176.347 178.264 -1.917 1
1 484 . 1 1 1 A 46 46 MET CA C 42 59.567 58.188 1.379 1
1 485 . 1 1 1 A 46 46 MET CB C 42 30.294 33.035 -2.741 1
1 487 . 1 1 1 A 46 46 MET N N 42 118.736 119.098 -0.362 1
1 488 . 1 1 1 A 47 47 VAL H H 43 8.006 8.593 -0.587 1
1 489 . 1 1 1 A 47 47 VAL HA H 43 3.624 3.487 0.137 1
1 497 . 1 1 1 A 47 47 VAL C C 43 176.911 177.395 -0.484 1
1 498 . 1 1 1 A 47 47 VAL CA C 43 65.362 65.025 0.337 1
1 499 . 1 1 1 A 47 47 VAL CB C 43 31.859 30.517 1.342 1
1 501 . 1 1 1 A 47 47 VAL N N 43 116.804 118.585 -1.781 1
1 502 . 1 1 1 A 48 48 GLN H H 44 7.935 7.999 -0.064 1
1 503 . 1 1 1 A 48 48 GLN HA H 44 3.972 3.920 0.052 1
1 510 . 1 1 1 A 48 48 GLN C C 44 178.636 178.052 0.584 1
1 511 . 1 1 1 A 48 48 GLN CA C 44 58.472 58.957 -0.485 1
1 512 . 1 1 1 A 48 48 GLN CB C 44 30.542 28.604 1.938 1
1 513 . 1 1 1 A 48 48 GLN N N 44 117.704 122.244 -4.540 1
1 515 . 1 1 1 A 49 49 ARG H H 45 8.100 8.037 0.063 1
1 516 . 1 1 1 A 49 49 ARG HA H 45 3.906 4.093 -0.187 1
1 521 . 1 1 1 A 49 49 ARG CA C 45 59.397 58.604 0.793 1
1 522 . 1 1 1 A 49 49 ARG CB C 45 29.993 29.890 0.103 1
1 523 . 1 1 1 A 49 49 ARG N N 45 120.984 119.921 1.063 1
1 524 . 1 1 1 A 50 50 ALA H H 46 8.279 7.495 0.784 1
1 525 . 1 1 1 A 50 50 ALA HA H 46 3.782 4.107 -0.325 1
1 529 . 1 1 1 A 50 50 ALA C C 46 178.073 178.784 -0.711 1
1 530 . 1 1 1 A 50 50 ALA CA C 46 51.408 54.590 -3.182 1
1 531 . 1 1 1 A 50 50 ALA CB C 46 18.883 18.427 0.456 1
1 532 . 1 1 1 A 50 50 ALA N N 46 118.254 122.488 -4.234 1
1 533 . 1 1 1 A 51 51 ASN H H 47 7.706 7.921 -0.215 1
1 534 . 1 1 1 A 51 51 ASN HA H 47 4.420 5.102 -0.682 1
1 539 . 1 1 1 A 51 51 ASN C C 47 174.974 175.897 -0.923 1
1 540 . 1 1 1 A 51 51 ASN CA C 47 54.303 52.910 1.393 1
1 541 . 1 1 1 A 51 51 ASN CB C 47 37.804 40.680 -2.876 1
1 543 . 1 1 1 A 51 51 ASN N N 47 115.277 111.901 3.376 1
1 545 . 1 1 1 A 52 52 GLY H H 48 8.702 8.031 0.671 1
1 546 . 1 1 1 A 52 52 GLY HA2 H 48 4.267 4.027 0.240 1
1 547 . 1 1 1 A 52 52 GLY HA3 H 48 3.379 4.035 -0.656 1
1 548 . 1 1 1 A 52 52 GLY CA C 48 45.176 45.481 -0.305 1
1 549 . 1 1 1 A 52 52 GLY N N 48 104.035 108.476 -4.441 1
1 550 . 1 1 1 A 53 53 ARG H H 49 7.116 7.753 -0.637 1
1 551 . 1 1 1 A 53 53 ARG HA H 49 4.144 4.689 -0.545 1
1 558 . 1 1 1 A 53 53 ARG C C 49 176.101 173.863 2.238 1
1 559 . 1 1 1 A 53 53 ARG CA C 49 57.285 55.746 1.539 1
1 560 . 1 1 1 A 53 53 ARG N N 49 121.384 121.065 0.319 1
1 561 . 1 1 1 A 54 54 ASN H H 50 7.958 8.762 -0.804 1
1 562 . 1 1 1 A 54 54 ASN HA H 50 4.589 5.247 -0.658 1
1 567 . 1 1 1 A 54 54 ASN CA C 50 51.568 53.126 -1.558 1
1 568 . 1 1 1 A 54 54 ASN CB C 50 38.018 42.046 -4.028 1
1 570 . 1 1 1 A 54 54 ASN N N 50 116.546 123.212 -6.666 1
1 572 . 1 1 1 A 55 55 THR H H 51 6.818 8.739 -1.921 1
1 573 . 1 1 1 A 55 55 THR HA H 51 4.283 4.600 -0.317 1
1 578 . 1 1 1 A 55 55 THR C C 51 172.509 172.190 0.319 1
1 579 . 1 1 1 A 55 55 THR CA C 51 59.829 60.961 -1.132 1
1 580 . 1 1 1 A 55 55 THR CB C 51 70.400 69.185 1.215 1
1 582 . 1 1 1 A 55 55 THR N N 51 108.070 117.145 -9.075 1
1 583 . 1 1 1 A 56 56 PHE H H 52 8.444 7.773 0.671 1
1 584 . 1 1 1 A 56 56 PHE HA H 52 4.730 4.889 -0.159 1
1 592 . 1 1 1 A 56 56 PHE CA C 52 55.529 55.716 -0.187 1
1 593 . 1 1 1 A 56 56 PHE N N 52 116.926 125.037 -8.111 1
1 594 . 1 1 1 A 57 57 PRO CA C 53 62.827 63.156 -0.329 1
1 595 . 1 1 1 A 57 57 PRO CB C 53 35.258 32.310 2.948 1
1 596 . 1 1 1 A 58 58 GLN H H 54 8.070 8.474 -0.404 1
1 597 . 1 1 1 A 58 58 GLN HA H 54 4.853 5.139 -0.286 1
1 604 . 1 1 1 A 58 58 GLN C C 54 175.291 173.020 2.271 1
1 605 . 1 1 1 A 58 58 GLN CA C 54 55.071 55.105 -0.034 1
1 606 . 1 1 1 A 58 58 GLN CB C 54 32.237 31.105 1.132 1
1 607 . 1 1 1 A 58 58 GLN N N 54 113.697 117.124 -3.427 1
1 609 . 1 1 1 A 59 59 ILE H H 55 8.753 8.844 -0.091 1
1 610 . 1 1 1 A 59 59 ILE HA H 55 5.089 4.740 0.349 1
1 620 . 1 1 1 A 59 59 ILE C C 55 174.164 174.868 -0.704 1
1 621 . 1 1 1 A 59 59 ILE CA C 55 61.194 60.673 0.521 1
1 622 . 1 1 1 A 59 59 ILE CB C 55 40.657 39.230 1.427 1
1 625 . 1 1 1 A 59 59 ILE N N 55 122.202 121.760 0.442 1
1 626 . 1 1 1 A 60 60 PHE H H 56 9.564 9.338 0.226 1
1 627 . 1 1 1 A 60 60 PHE HA H 56 5.390 5.149 0.241 1
1 635 . 1 1 1 A 60 60 PHE C C 56 174.305 175.517 -1.212 1
1 636 . 1 1 1 A 60 60 PHE CA C 56 56.614 57.742 -1.128 1
1 637 . 1 1 1 A 60 60 PHE CB C 56 42.488 41.865 0.623 1
1 638 . 1 1 1 A 60 60 PHE N N 56 127.604 128.070 -0.466 1
1 639 . 1 1 1 A 61 61 ILE H H 57 9.231 9.014 0.217 1
1 640 . 1 1 1 A 61 61 ILE HA H 57 4.483 4.918 -0.435 1
1 650 . 1 1 1 A 61 61 ILE C C 57 176.418 176.371 0.047 1
1 651 . 1 1 1 A 61 61 ILE CA C 57 60.800 59.320 1.480 1
1 652 . 1 1 1 A 61 61 ILE CB C 57 39.431 40.580 -1.149 1
1 656 . 1 1 1 A 61 61 ILE N N 57 121.606 120.144 1.462 1
1 657 . 1 1 1 A 62 62 GLY H H 58 9.118 9.179 -0.061 1
1 658 . 1 1 1 A 62 62 GLY HA2 H 58 4.092 3.931 0.161 1
1 659 . 1 1 1 A 62 62 GLY HA3 H 58 3.951 3.954 -0.003 1
1 660 . 1 1 1 A 62 62 GLY C C 58 174.058 174.450 -0.392 1
1 661 . 1 1 1 A 62 62 GLY CA C 58 47.516 47.498 0.018 1
1 662 . 1 1 1 A 62 62 GLY N N 58 118.483 114.349 4.134 1
1 663 . 1 1 1 A 63 63 ASP H H 59 8.944 8.491 0.453 1
1 664 . 1 1 1 A 63 63 ASP HA H 59 4.762 4.953 -0.191 1
1 667 . 1 1 1 A 63 63 ASP C C 59 175.220 174.126 1.094 1
1 668 . 1 1 1 A 63 63 ASP CA C 59 54.467 53.661 0.806 1
1 669 . 1 1 1 A 63 63 ASP CB C 59 40.913 41.967 -1.054 1
1 670 . 1 1 1 A 63 63 ASP N N 59 125.981 126.083 -0.102 1
1 671 . 1 1 1 A 64 64 TYR H H 60 8.332 7.877 0.455 1
1 672 . 1 1 1 A 64 64 TYR HA H 60 4.600 4.850 -0.250 1
1 679 . 1 1 1 A 64 64 TYR C C 60 174.023 173.382 0.641 1
1 680 . 1 1 1 A 64 64 TYR CA C 60 57.761 57.342 0.419 1
1 681 . 1 1 1 A 64 64 TYR CB C 60 33.473 42.169 -8.696 1
1 682 . 1 1 1 A 64 64 TYR N N 60 122.443 121.386 1.057 1
1 683 . 1 1 1 A 65 65 HIS H H 61 8.625 7.433 1.192 1
1 684 . 1 1 1 A 65 65 HIS HA H 61 4.200 4.542 -0.342 1
1 689 . 1 1 1 A 65 65 HIS C C 61 171.910 174.704 -2.794 1
1 690 . 1 1 1 A 65 65 HIS CA C 61 53.347 53.130 0.217 1
1 691 . 1 1 1 A 65 65 HIS CB C 61 28.830 30.698 -1.868 1
1 692 . 1 1 1 A 65 65 HIS N N 61 129.863 121.389 8.474 1
1 693 . 1 1 1 A 66 66 VAL H H 62 8.059 8.630 -0.571 1
1 694 . 1 1 1 A 66 66 VAL HA H 62 3.316 3.630 -0.314 1
1 702 . 1 1 1 A 66 66 VAL CA C 62 64.194 64.864 -0.670 1
1 703 . 1 1 1 A 66 66 VAL CB C 62 32.770 32.252 0.518 1
1 705 . 1 1 1 A 66 66 VAL N N 62 129.219 123.560 5.659 1
1 706 . 1 1 1 A 67 67 GLY H H 63 6.327 7.844 -1.517 1
1 707 . 1 1 1 A 67 67 GLY HA2 H 63 4.503 4.054 0.449 1
1 708 . 1 1 1 A 67 67 GLY HA3 H 63 2.870 4.069 -1.199 1
1 709 . 1 1 1 A 67 67 GLY C C 63 172.156 175.020 -2.864 1
1 710 . 1 1 1 A 67 67 GLY CA C 63 43.551 45.635 -2.084 1
1 711 . 1 1 1 A 67 67 GLY N N 63 102.548 107.490 -4.942 1
1 712 . 1 1 1 A 68 68 GLY H H 64 9.095 8.253 0.842 1
1 713 . 1 1 1 A 68 68 GLY HA2 H 64 4.863 4.061 0.802 1
1 714 . 1 1 1 A 68 68 GLY HA3 H 64 3.821 4.076 -0.255 1
1 715 . 1 1 1 A 68 68 GLY C C 64 172.509 174.909 -2.400 1
1 716 . 1 1 1 A 68 68 GLY CA C 64 43.870 44.616 -0.746 1
1 717 . 1 1 1 A 68 68 GLY N N 64 110.080 108.759 1.321 1
1 718 . 1 1 1 A 69 69 CYS H H 65 8.398 9.042 -0.644 1
1 719 . 1 1 1 A 69 69 CYS HA H 65 3.846 4.299 -0.453 1
1 722 . 1 1 1 A 69 69 CYS C C 65 173.741 176.678 -2.937 1
1 723 . 1 1 1 A 69 69 CYS CA C 65 62.944 62.641 0.303 1
1 724 . 1 1 1 A 69 69 CYS CB C 65 45.022 27.634 17.388 1
1 725 . 1 1 1 A 69 69 CYS N N 65 118.292 119.857 -1.565 1
1 726 . 1 1 1 A 70 70 ASP H H 66 9.110 8.212 0.898 1
1 727 . 1 1 1 A 70 70 ASP HA H 66 5.745 4.411 1.334 1
1 730 . 1 1 1 A 70 70 ASP C C 66 178.777 178.974 -0.197 1
1 731 . 1 1 1 A 70 70 ASP CA C 66 57.437 57.252 0.185 1
1 732 . 1 1 1 A 70 70 ASP CB C 66 40.016 40.170 -0.154 1
1 733 . 1 1 1 A 70 70 ASP N N 66 123.178 121.118 2.060 1
1 734 . 1 1 1 A 71 71 ASP H H 67 7.301 8.106 -0.805 1
1 735 . 1 1 1 A 71 71 ASP HA H 67 4.362 4.324 0.038 1
1 738 . 1 1 1 A 71 71 ASP C C 67 177.474 178.916 -1.442 1
1 739 . 1 1 1 A 71 71 ASP CA C 67 57.381 57.525 -0.144 1
1 740 . 1 1 1 A 71 71 ASP CB C 67 41.503 40.358 1.145 1
1 741 . 1 1 1 A 71 71 ASP N N 67 119.848 120.082 -0.234 1
1 742 . 1 1 1 A 72 72 LEU H H 68 7.805 7.667 0.138 1
1 743 . 1 1 1 A 72 72 LEU HA H 68 3.822 4.021 -0.199 1
1 753 . 1 1 1 A 72 72 LEU C C 68 177.509 178.526 -1.017 1
1 754 . 1 1 1 A 72 72 LEU CA C 68 58.446 58.004 0.442 1
1 755 . 1 1 1 A 72 72 LEU CB C 68 42.524 41.545 0.979 1
1 757 . 1 1 1 A 72 72 LEU N N 68 121.720 118.450 3.270 1
1 758 . 1 1 1 A 73 73 TYR H H 69 8.229 8.439 -0.210 1
1 759 . 1 1 1 A 73 73 TYR HA H 69 3.772 4.333 -0.561 1
1 766 . 1 1 1 A 73 73 TYR C C 69 177.721 178.171 -0.450 1
1 767 . 1 1 1 A 73 73 TYR CA C 69 62.867 60.525 2.342 1
1 768 . 1 1 1 A 73 73 TYR CB C 69 38.215 38.028 0.187 1
1 769 . 1 1 1 A 73 73 TYR N N 69 116.501 120.224 -3.723 1
1 770 . 1 1 1 A 74 74 ALA H H 70 8.275 8.624 -0.349 1
1 771 . 1 1 1 A 74 74 ALA HA H 70 4.286 4.115 0.171 1
1 775 . 1 1 1 A 74 74 ALA C C 70 180.045 179.918 0.127 1
1 776 . 1 1 1 A 74 74 ALA CA C 70 55.701 55.228 0.473 1
1 777 . 1 1 1 A 74 74 ALA CB C 70 17.944 18.245 -0.301 1
1 778 . 1 1 1 A 74 74 ALA N N 70 122.883 121.566 1.317 1
1 779 . 1 1 1 A 75 75 LEU H H 71 7.558 8.349 -0.791 1
1 780 . 1 1 1 A 75 75 LEU HA H 71 3.975 3.865 0.110 1
1 790 . 1 1 1 A 75 75 LEU C C 71 179.024 179.079 -0.055 1
1 791 . 1 1 1 A 75 75 LEU CA C 71 57.994 58.207 -0.213 1
1 792 . 1 1 1 A 75 75 LEU CB C 71 42.836 41.677 1.159 1
1 793 . 1 1 1 A 75 75 LEU N N 71 117.133 117.839 -0.706 1
1 794 . 1 1 1 A 76 76 GLU H H 72 7.587 8.391 -0.804 1
1 795 . 1 1 1 A 76 76 GLU HA H 72 4.473 3.866 0.607 1
1 800 . 1 1 1 A 76 76 GLU C C 72 179.270 178.367 0.903 1
1 801 . 1 1 1 A 76 76 GLU CA C 72 58.296 59.719 -1.423 1
1 802 . 1 1 1 A 76 76 GLU CB C 72 28.457 29.211 -0.754 1
1 803 . 1 1 1 A 76 76 GLU N N 72 121.576 119.142 2.434 1
1 804 . 1 1 1 A 77 77 ASN H H 73 8.863 7.963 0.900 1
1 805 . 1 1 1 A 77 77 ASN HA H 73 4.511 4.490 0.021 1
1 810 . 1 1 1 A 77 77 ASN C C 73 176.664 177.088 -0.424 1
1 811 . 1 1 1 A 77 77 ASN CA C 73 55.944 55.468 0.476 1
1 812 . 1 1 1 A 77 77 ASN CB C 73 38.660 38.636 0.024 1
1 814 . 1 1 1 A 77 77 ASN N N 73 120.232 117.829 2.403 1
1 816 . 1 1 1 A 78 78 LYS H H 74 7.617 7.587 0.030 1
1 817 . 1 1 1 A 78 78 LYS HA H 74 4.426 4.304 0.122 1
1 826 . 1 1 1 A 78 78 LYS C C 74 176.312 176.431 -0.119 1
1 827 . 1 1 1 A 78 78 LYS CA C 74 55.863 56.276 -0.413 1
1 828 . 1 1 1 A 78 78 LYS CB C 74 33.482 33.030 0.452 1
1 829 . 1 1 1 A 78 78 LYS N N 74 115.597 116.696 -1.099 1
1 830 . 1 1 1 A 79 79 GLY H H 75 8.023 7.644 0.379 1
1 831 . 1 1 1 A 79 79 GLY HA2 H 75 4.060 4.001 0.059 1
1 832 . 1 1 1 A 79 79 GLY HA3 H 75 4.060 4.003 0.057 1
1 833 . 1 1 1 A 79 79 GLY C C 75 175.009 175.724 -0.715 1
1 834 . 1 1 1 A 79 79 GLY CA C 75 46.234 45.109 1.125 1
1 835 . 1 1 1 A 79 79 GLY N N 75 109.073 105.591 3.482 1
1 836 . 1 1 1 A 80 80 LYS H H 76 8.091 8.531 -0.440 1
1 837 . 1 1 1 A 80 80 LYS HA H 76 4.422 4.346 0.076 1
1 846 . 1 1 1 A 80 80 LYS C C 76 173.037 177.227 -4.190 1
1 847 . 1 1 1 A 80 80 LYS CA C 76 55.679 56.554 -0.875 1
1 848 . 1 1 1 A 80 80 LYS CB C 76 35.038 32.697 2.341 1
1 849 . 1 1 1 A 80 80 LYS N N 76 116.888 120.345 -3.457 1
1 850 . 1 1 1 A 81 81 LEU H H 77 7.411 7.704 -0.293 1
1 851 . 1 1 1 A 81 81 LEU HA H 77 4.003 3.926 0.077 1
1 861 . 1 1 1 A 81 81 LEU C C 77 177.333 177.708 -0.375 1
1 862 . 1 1 1 A 81 81 LEU CA C 77 57.512 58.083 -0.571 1
1 863 . 1 1 1 A 81 81 LEU CB C 77 40.676 41.143 -0.467 1
1 864 . 1 1 1 A 81 81 LEU N N 77 122.079 122.178 -0.099 1
1 865 . 1 1 1 A 82 82 ASP H H 78 8.613 8.103 0.510 1
1 866 . 1 1 1 A 82 82 ASP HA H 78 4.232 4.264 -0.032 1
1 869 . 1 1 1 A 82 82 ASP C C 78 178.354 178.025 0.329 1
1 870 . 1 1 1 A 82 82 ASP CA C 78 58.438 57.837 0.601 1
1 871 . 1 1 1 A 82 82 ASP CB C 78 39.890 41.883 -1.993 1
1 872 . 1 1 1 A 82 82 ASP N N 78 118.813 119.467 -0.654 1
1 873 . 1 1 1 A 83 83 SER H H 79 7.886 7.512 0.374 1
1 874 . 1 1 1 A 83 83 SER HA H 79 4.164 4.218 -0.054 1
1 877 . 1 1 1 A 83 83 SER C C 79 176.171 177.598 -1.427 1
1 878 . 1 1 1 A 83 83 SER CA C 79 61.285 61.447 -0.162 1
1 879 . 1 1 1 A 83 83 SER CB C 79 62.632 62.932 -0.300 1
1 880 . 1 1 1 A 83 83 SER N N 79 113.338 113.861 -0.523 1
1 881 . 1 1 1 A 84 84 LEU H H 80 7.354 8.122 -0.768 1
1 882 . 1 1 1 A 84 84 LEU HA H 80 4.152 3.975 0.177 1
1 892 . 1 1 1 A 84 84 LEU C C 80 173.671 178.625 -4.954 1
1 893 . 1 1 1 A 84 84 LEU CA C 80 56.841 58.248 -1.407 1
1 894 . 1 1 1 A 84 84 LEU CB C 80 42.682 42.205 0.477 1
1 897 . 1 1 1 A 84 84 LEU N N 80 121.453 121.816 -0.363 1
1 898 . 1 1 1 A 85 85 LEU H H 81 7.655 8.696 -1.041 1
1 899 . 1 1 1 A 85 85 LEU HA H 81 4.113 3.933 0.180 1
1 909 . 1 1 1 A 85 85 LEU C C 81 177.333 179.302 -1.969 1
1 910 . 1 1 1 A 85 85 LEU CA C 81 55.748 58.067 -2.319 1
1 911 . 1 1 1 A 85 85 LEU CB C 81 41.707 40.940 0.767 1
1 914 . 1 1 1 A 85 85 LEU N N 81 115.497 118.213 -2.716 1
1 915 . 1 1 1 A 86 86 GLN H H 82 7.414 8.169 -0.755 1
1 916 . 1 1 1 A 86 86 GLN HA H 82 4.177 4.255 -0.078 1
1 923 . 1 1 1 A 86 86 GLN C C 82 175.537 178.278 -2.741 1
1 924 . 1 1 1 A 86 86 GLN CA C 82 56.986 58.738 -1.752 1
1 925 . 1 1 1 A 86 86 GLN CB C 82 29.187 28.217 0.970 1
1 928 . 1 1 1 A 86 86 GLN N N 82 117.020 117.388 -0.368 1
1 930 . 1 1 1 A 87 87 ASP H H 83 8.092 7.941 0.151 1
1 931 . 1 1 1 A 87 87 ASP HA H 83 4.672 4.681 -0.009 1
1 934 . 1 1 1 A 87 87 ASP C C 83 177.263 178.632 -1.369 1
1 935 . 1 1 1 A 87 87 ASP CA C 83 54.394 56.352 -1.958 1
1 936 . 1 1 1 A 87 87 ASP CB C 83 40.722 41.148 -0.426 1
1 937 . 1 1 1 A 87 87 ASP N N 83 119.072 119.876 -0.804 1
1 938 . 1 1 1 A 88 88 VAL H H 84 7.692 8.303 -0.611 1
1 939 . 1 1 1 A 88 88 VAL HA H 84 4.175 3.922 0.253 1
1 947 . 1 1 1 A 88 88 VAL C C 84 174.164 177.765 -3.601 1
1 948 . 1 1 1 A 88 88 VAL CA C 84 62.165 65.788 -3.623 1
1 949 . 1 1 1 A 88 88 VAL CB C 84 32.284 31.289 0.995 1
1 952 . 1 1 1 A 88 88 VAL N N 84 118.778 115.619 3.159 1
1 1 . 2 1 1 A 2 2 PRO C C -2 177.005 176.708 0.297 1
1 2 . 2 1 1 A 2 2 PRO CA C -2 63.481 62.838 0.643 1
1 3 . 2 1 1 A 2 2 PRO CB C -2 32.244 32.167 0.077 1
1 4 . 2 1 1 A 3 3 GLY H H -1 8.665 8.307 0.358 1
1 5 . 2 1 1 A 3 3 GLY HA2 H -1 3.985 4.218 -0.233 1
1 6 . 2 1 1 A 3 3 GLY HA3 H -1 3.985 4.227 -0.242 1
1 7 . 2 1 1 A 3 3 GLY C C -1 173.706 172.396 1.310 1
1 8 . 2 1 1 A 3 3 GLY CA C -1 45.291 45.053 0.238 1
1 9 . 2 1 1 A 3 3 GLY N N -1 109.788 108.663 1.125 1
1 10 . 2 1 1 A 4 4 SER H H 0 8.190 9.109 -0.919 1
1 11 . 2 1 1 A 4 4 SER HA H 0 4.477 4.485 -0.008 1
1 14 . 2 1 1 A 4 4 SER C C 0 175.738 174.198 1.540 1
1 15 . 2 1 1 A 4 4 SER CA C 0 58.322 58.310 0.012 1
1 16 . 2 1 1 A 4 4 SER CB C 0 63.927 63.887 0.040 1
1 17 . 2 1 1 A 4 4 SER N N 0 115.613 121.017 -5.404 1
1 18 . 2 1 1 A 5 5 MET H H 1 8.458 8.984 -0.526 1
1 19 . 2 1 1 A 5 5 MET HA H 1 4.320 4.616 -0.296 1
1 27 . 2 1 1 A 5 5 MET C C 1 173.977 175.481 -1.504 1
1 28 . 2 1 1 A 5 5 MET CA C 1 56.011 56.620 -0.609 1
1 29 . 2 1 1 A 5 5 MET CB C 1 33.797 35.531 -1.734 1
1 30 . 2 1 1 A 5 5 MET N N 1 122.334 123.909 -1.575 1
1 31 . 2 1 1 A 6 6 LYS H H 2 8.445 7.771 0.674 1
1 32 . 2 1 1 A 6 6 LYS HA H 2 4.566 4.808 -0.242 1
1 39 . 2 1 1 A 6 6 LYS C C 2 174.575 175.702 -1.127 1
1 40 . 2 1 1 A 6 6 LYS CA C 2 55.887 55.089 0.798 1
1 41 . 2 1 1 A 6 6 LYS CB C 2 33.848 34.423 -0.575 1
1 42 . 2 1 1 A 6 6 LYS N N 2 122.229 119.008 3.221 1
1 43 . 2 1 1 A 7 7 GLU H H 3 8.324 9.137 -0.813 1
1 44 . 2 1 1 A 7 7 GLU HA H 3 4.440 5.032 -0.592 1
1 49 . 2 1 1 A 7 7 GLU C C 3 175.491 173.900 1.591 1
1 50 . 2 1 1 A 7 7 GLU CA C 3 55.680 54.577 1.103 1
1 51 . 2 1 1 A 7 7 GLU CB C 3 31.513 33.508 -1.995 1
1 52 . 2 1 1 A 7 7 GLU N N 3 121.539 119.072 2.467 1
1 53 . 2 1 1 A 8 8 ILE H H 4 9.014 8.964 0.050 1
1 54 . 2 1 1 A 8 8 ILE HA H 4 5.025 5.119 -0.094 1
1 64 . 2 1 1 A 8 8 ILE C C 4 174.199 173.944 0.255 1
1 65 . 2 1 1 A 8 8 ILE CA C 4 60.927 59.613 1.314 1
1 66 . 2 1 1 A 8 8 ILE CB C 4 38.759 41.044 -2.285 1
1 69 . 2 1 1 A 8 8 ILE N N 4 127.255 123.297 3.958 1
1 70 . 2 1 1 A 9 9 ILE H H 5 9.104 9.188 -0.084 1
1 71 . 2 1 1 A 9 9 ILE HA H 5 4.900 5.015 -0.115 1
1 81 . 2 1 1 A 9 9 ILE C C 5 173.906 175.078 -1.172 1
1 82 . 2 1 1 A 9 9 ILE CA C 5 59.727 59.354 0.373 1
1 83 . 2 1 1 A 9 9 ILE CB C 5 41.627 41.996 -0.369 1
1 87 . 2 1 1 A 9 9 ILE N N 5 128.326 128.699 -0.373 1
1 88 . 2 1 1 A 10 10 LEU H H 6 8.891 9.018 -0.127 1
1 89 . 2 1 1 A 10 10 LEU HA H 6 5.157 5.222 -0.065 1
1 96 . 2 1 1 A 10 10 LEU CA C 6 54.076 53.531 0.545 1
1 97 . 2 1 1 A 10 10 LEU CB C 6 44.892 44.050 0.842 1
1 100 . 2 1 1 A 10 10 LEU N N 6 125.779 125.269 0.510 1
1 101 . 2 1 1 A 11 11 TYR H H 7 9.099 9.139 -0.040 1
1 102 . 2 1 1 A 11 11 TYR HA H 7 4.336 5.253 -0.917 1
1 109 . 2 1 1 A 11 11 TYR C C 7 177.041 175.426 1.615 1
1 110 . 2 1 1 A 11 11 TYR CA C 7 57.379 56.846 0.533 1
1 111 . 2 1 1 A 11 11 TYR CB C 7 40.345 39.627 0.718 1
1 112 . 2 1 1 A 12 12 THR H H 8 9.286 8.642 0.644 1
1 113 . 2 1 1 A 12 12 THR HA H 8 5.105 5.023 0.082 1
1 118 . 2 1 1 A 12 12 THR C C 8 172.005 173.155 -1.150 1
1 119 . 2 1 1 A 12 12 THR CA C 8 60.604 61.048 -0.444 1
1 120 . 2 1 1 A 12 12 THR CB C 8 73.108 70.757 2.351 1
1 122 . 2 1 1 A 12 12 THR N N 8 111.938 114.607 -2.669 1
1 123 . 2 1 1 A 13 13 ARG H H 9 7.513 8.531 -1.018 1
1 124 . 2 1 1 A 13 13 ARG HA H 9 4.826 4.826 0.000 1
1 131 . 2 1 1 A 13 13 ARG CA C 9 52.836 54.308 -1.472 1
1 132 . 2 1 1 A 13 13 ARG CB C 9 31.436 31.066 0.370 1
1 133 . 2 1 1 A 13 13 ARG N N 9 114.036 120.411 -6.375 1
1 134 . 2 1 1 A 14 14 PRO HA H 10 4.294 4.507 -0.213 1
1 141 . 2 1 1 A 14 14 PRO C C 10 176.477 176.506 -0.029 1
1 142 . 2 1 1 A 14 14 PRO CA C 10 63.464 64.223 -0.759 1
1 143 . 2 1 1 A 14 14 PRO CB C 10 32.615 31.636 0.979 1
1 144 . 2 1 1 A 15 15 ASN H H 11 8.987 8.353 0.634 1
1 145 . 2 1 1 A 15 15 ASN HA H 11 4.240 4.940 -0.700 1
1 150 . 2 1 1 A 15 15 ASN C C 11 176.266 173.980 2.286 1
1 151 . 2 1 1 A 15 15 ASN CA C 11 54.464 52.646 1.818 1
1 152 . 2 1 1 A 15 15 ASN CB C 11 37.500 37.764 -0.264 1
1 154 . 2 1 1 A 15 15 ASN N N 11 115.463 116.008 -0.545 1
1 156 . 2 1 1 A 16 16 CYS H H 12 7.324 7.873 -0.549 1
1 157 . 2 1 1 A 16 16 CYS HA H 12 4.931 4.981 -0.050 1
1 160 . 2 1 1 A 16 16 CYS CA C 12 56.277 56.525 -0.248 1
1 161 . 2 1 1 A 16 16 CYS N N 12 123.174 117.714 5.460 1
1 162 . 2 1 1 A 17 17 PRO C C 13 178.555 176.755 1.800 1
1 163 . 2 1 1 A 17 17 PRO CA C 13 64.409 64.212 0.197 1
1 164 . 2 1 1 A 17 17 PRO CB C 13 33.538 31.627 1.911 1
1 165 . 2 1 1 A 18 18 TYR H H 14 9.325 7.970 1.355 1
1 166 . 2 1 1 A 18 18 TYR HA H 14 4.404 4.570 -0.166 1
1 173 . 2 1 1 A 18 18 TYR CA C 14 60.921 58.523 2.398 1
1 174 . 2 1 1 A 18 18 TYR N N 14 127.149 114.958 12.191 1
1 175 . 2 1 1 A 19 19 CYS H H 15 9.687 7.997 1.690 1
1 176 . 2 1 1 A 19 19 CYS HA H 15 4.725 4.168 0.557 1
1 177 . 2 1 1 A 19 19 CYS C C 15 174.998 176.861 -1.863 1
1 178 . 2 1 1 A 19 19 CYS CA C 15 64.573 62.418 2.155 1
1 179 . 2 1 1 A 19 19 CYS CB C 15 29.227 26.867 2.360 1
1 180 . 2 1 1 A 19 19 CYS N N 15 127.652 119.628 8.024 1
1 181 . 2 1 1 A 20 20 LYS H H 16 7.706 8.142 -0.436 1
1 182 . 2 1 1 A 20 20 LYS HA H 16 3.946 4.059 -0.113 1
1 191 . 2 1 1 A 20 20 LYS C C 16 177.252 178.639 -1.387 1
1 192 . 2 1 1 A 20 20 LYS CA C 16 59.857 59.179 0.678 1
1 193 . 2 1 1 A 20 20 LYS CB C 16 32.542 32.175 0.367 1
1 194 . 2 1 1 A 20 20 LYS N N 16 119.200 119.869 -0.669 1
1 195 . 2 1 1 A 21 21 ARG H H 17 7.839 7.995 -0.156 1
1 196 . 2 1 1 A 21 21 ARG HA H 17 4.176 4.017 0.159 1
1 203 . 2 1 1 A 21 21 ARG C C 17 179.858 179.024 0.834 1
1 204 . 2 1 1 A 21 21 ARG CA C 17 59.647 59.043 0.604 1
1 205 . 2 1 1 A 21 21 ARG CB C 17 30.340 29.724 0.616 1
1 206 . 2 1 1 A 21 21 ARG N N 17 117.964 119.850 -1.886 1
1 207 . 2 1 1 A 22 22 ALA H H 18 8.084 8.121 -0.037 1
1 208 . 2 1 1 A 22 22 ALA HA H 18 4.168 4.329 -0.161 1
1 212 . 2 1 1 A 22 22 ALA C C 18 177.322 179.503 -2.181 1
1 213 . 2 1 1 A 22 22 ALA CA C 18 55.859 55.416 0.443 1
1 214 . 2 1 1 A 22 22 ALA CB C 18 19.047 18.456 0.591 1
1 215 . 2 1 1 A 22 22 ALA N N 18 124.839 121.708 3.131 1
1 216 . 2 1 1 A 23 23 ARG H H 19 7.811 8.234 -0.423 1
1 217 . 2 1 1 A 23 23 ARG HA H 19 3.320 3.688 -0.368 1
1 224 . 2 1 1 A 23 23 ARG C C 19 177.217 178.057 -0.840 1
1 225 . 2 1 1 A 23 23 ARG CA C 19 60.780 58.680 2.100 1
1 226 . 2 1 1 A 23 23 ARG CB C 19 30.828 29.799 1.029 1
1 227 . 2 1 1 A 23 23 ARG N N 19 116.980 117.320 -0.340 1
1 228 . 2 1 1 A 24 24 ASP H H 20 8.710 7.974 0.736 1
1 229 . 2 1 1 A 24 24 ASP HA H 20 4.299 4.418 -0.119 1
1 232 . 2 1 1 A 24 24 ASP C C 20 178.625 178.248 0.377 1
1 233 . 2 1 1 A 24 24 ASP CA C 20 57.477 57.123 0.354 1
1 234 . 2 1 1 A 24 24 ASP CB C 20 40.551 41.222 -0.671 1
1 235 . 2 1 1 A 24 24 ASP N N 20 116.717 120.220 -3.503 1
1 236 . 2 1 1 A 25 25 LEU H H 21 7.114 7.953 -0.839 1
1 237 . 2 1 1 A 25 25 LEU HA H 21 4.131 4.048 0.083 1
1 246 . 2 1 1 A 25 25 LEU C C 21 177.580 178.536 -0.956 1
1 247 . 2 1 1 A 25 25 LEU CA C 21 57.857 58.459 -0.602 1
1 248 . 2 1 1 A 25 25 LEU CB C 21 41.654 41.963 -0.309 1
1 251 . 2 1 1 A 25 25 LEU N N 21 119.808 120.652 -0.844 1
1 252 . 2 1 1 A 26 26 LEU H H 22 7.294 8.108 -0.814 1
1 253 . 2 1 1 A 26 26 LEU HA H 22 3.767 3.905 -0.138 1
1 262 . 2 1 1 A 26 26 LEU C C 22 178.696 178.656 0.040 1
1 263 . 2 1 1 A 26 26 LEU CA C 22 58.107 58.110 -0.003 1
1 264 . 2 1 1 A 26 26 LEU CB C 22 40.750 41.706 -0.956 1
1 267 . 2 1 1 A 26 26 LEU N N 22 117.901 119.022 -1.121 1
1 268 . 2 1 1 A 27 27 ASP H H 23 9.446 8.395 1.051 1
1 269 . 2 1 1 A 27 27 ASP HA H 23 4.608 4.411 0.197 1
1 272 . 2 1 1 A 27 27 ASP C C 23 180.104 178.367 1.737 1
1 273 . 2 1 1 A 27 27 ASP CA C 23 57.406 57.828 -0.422 1
1 274 . 2 1 1 A 27 27 ASP CB C 23 39.839 42.296 -2.457 1
1 275 . 2 1 1 A 27 27 ASP N N 23 119.946 118.696 1.250 1
1 276 . 2 1 1 A 28 28 LYS H H 24 7.915 8.091 -0.176 1
1 277 . 2 1 1 A 28 28 LYS HA H 24 4.079 4.056 0.023 1
1 286 . 2 1 1 A 28 28 LYS C C 24 178.414 179.555 -1.141 1
1 287 . 2 1 1 A 28 28 LYS CA C 24 59.295 59.708 -0.413 1
1 288 . 2 1 1 A 28 28 LYS CB C 24 32.342 32.079 0.263 1
1 289 . 2 1 1 A 28 28 LYS N N 24 122.484 119.055 3.429 1
1 290 . 2 1 1 A 29 29 LYS H H 25 7.763 7.573 0.190 1
1 291 . 2 1 1 A 29 29 LYS HA H 25 4.195 4.211 -0.016 1
1 300 . 2 1 1 A 29 29 LYS C C 25 176.583 177.174 -0.591 1
1 301 . 2 1 1 A 29 29 LYS CA C 25 56.122 56.840 -0.718 1
1 302 . 2 1 1 A 29 29 LYS CB C 25 32.771 32.756 0.015 1
1 303 . 2 1 1 A 29 29 LYS N N 25 116.683 116.472 0.211 1
1 304 . 2 1 1 A 30 30 GLY H H 26 7.961 8.152 -0.191 1
1 305 . 2 1 1 A 30 30 GLY HA2 H 26 4.005 3.975 0.030 1
1 306 . 2 1 1 A 30 30 GLY HA3 H 26 3.894 3.977 -0.083 1
1 307 . 2 1 1 A 30 30 GLY C C 26 174.223 174.182 0.041 1
1 308 . 2 1 1 A 30 30 GLY CA C 26 46.265 46.503 -0.238 1
1 309 . 2 1 1 A 30 30 GLY N N 26 108.209 107.205 1.004 1
1 310 . 2 1 1 A 31 31 VAL H H 27 7.440 7.384 0.056 1
1 311 . 2 1 1 A 31 31 VAL HA H 27 4.355 4.794 -0.439 1
1 319 . 2 1 1 A 31 31 VAL C C 27 174.294 174.610 -0.316 1
1 320 . 2 1 1 A 31 31 VAL CA C 27 60.115 59.389 0.726 1
1 321 . 2 1 1 A 31 31 VAL CB C 27 33.737 35.576 -1.839 1
1 323 . 2 1 1 A 31 31 VAL N N 27 114.927 114.879 0.048 1
1 324 . 2 1 1 A 32 32 LYS H H 28 8.408 8.491 -0.083 1
1 325 . 2 1 1 A 32 32 LYS HA H 28 4.268 4.852 -0.584 1
1 334 . 2 1 1 A 32 32 LYS C C 28 175.385 175.216 0.169 1
1 335 . 2 1 1 A 32 32 LYS CA C 28 55.441 55.034 0.407 1
1 336 . 2 1 1 A 32 32 LYS CB C 28 33.269 33.905 -0.636 1
1 337 . 2 1 1 A 32 32 LYS N N 28 124.540 120.753 3.787 1
1 338 . 2 1 1 A 33 33 TYR H H 29 7.451 8.696 -1.245 1
1 339 . 2 1 1 A 33 33 TYR HA H 29 5.149 5.979 -0.830 1
1 346 . 2 1 1 A 33 33 TYR C C 29 173.730 174.659 -0.929 1
1 347 . 2 1 1 A 33 33 TYR CA C 29 57.198 55.218 1.980 1
1 348 . 2 1 1 A 33 33 TYR CB C 29 41.499 41.932 -0.433 1
1 353 . 2 1 1 A 33 33 TYR N N 29 117.090 121.820 -4.730 1
1 354 . 2 1 1 A 34 34 THR H H 30 9.106 9.031 0.075 1
1 355 . 2 1 1 A 34 34 THR HA H 30 4.368 4.876 -0.508 1
1 360 . 2 1 1 A 34 34 THR C C 30 171.336 172.893 -1.557 1
1 361 . 2 1 1 A 34 34 THR CA C 30 62.096 61.410 0.686 1
1 362 . 2 1 1 A 34 34 THR CB C 30 70.603 70.225 0.378 1
1 364 . 2 1 1 A 34 34 THR N N 30 119.343 116.544 2.799 1
1 365 . 2 1 1 A 35 35 ASP H H 31 8.772 9.260 -0.488 1
1 366 . 2 1 1 A 35 35 ASP HA H 31 5.283 4.955 0.328 1
1 369 . 2 1 1 A 35 35 ASP C C 31 175.245 174.821 0.424 1
1 370 . 2 1 1 A 35 35 ASP CA C 31 52.549 54.176 -1.627 1
1 371 . 2 1 1 A 35 35 ASP CB C 31 42.286 42.517 -0.231 1
1 372 . 2 1 1 A 35 35 ASP N N 31 129.184 127.404 1.780 1
1 373 . 2 1 1 A 36 36 ILE H H 32 9.283 9.019 0.264 1
1 374 . 2 1 1 A 36 36 ILE HA H 32 4.081 4.517 -0.436 1
1 384 . 2 1 1 A 36 36 ILE C C 32 175.854 175.282 0.572 1
1 385 . 2 1 1 A 36 36 ILE CA C 32 60.226 60.461 -0.235 1
1 386 . 2 1 1 A 36 36 ILE CB C 32 39.998 39.999 -0.001 1
1 388 . 2 1 1 A 36 36 ILE N N 32 129.240 126.970 2.270 1
1 389 . 2 1 1 A 37 37 ASP H H 33 8.298 8.743 -0.445 1
1 390 . 2 1 1 A 37 37 ASP HA H 33 4.648 4.594 0.054 1
1 393 . 2 1 1 A 37 37 ASP CA C 33 54.101 54.869 -0.768 1
1 394 . 2 1 1 A 37 37 ASP CB C 33 40.536 41.340 -0.804 1
1 395 . 2 1 1 A 37 37 ASP N N 33 125.570 127.949 -2.379 1
1 396 . 2 1 1 A 38 38 ALA H H 34 9.840 8.709 1.131 1
1 397 . 2 1 1 A 38 38 ALA HA H 34 4.620 4.030 0.590 1
1 401 . 2 1 1 A 38 38 ALA C C 34 175.185 177.830 -2.645 1
1 402 . 2 1 1 A 38 38 ALA CA C 34 51.239 54.955 -3.716 1
1 403 . 2 1 1 A 38 38 ALA CB C 34 20.627 18.530 2.097 1
1 404 . 2 1 1 A 38 38 ALA N N 34 134.980 124.453 10.527 1
1 405 . 2 1 1 A 39 39 SER H H 35 8.679 7.565 1.114 1
1 406 . 2 1 1 A 39 39 SER HA H 35 4.189 4.307 -0.118 1
1 409 . 2 1 1 A 39 39 SER C C 35 175.713 175.603 0.110 1
1 410 . 2 1 1 A 39 39 SER CA C 35 60.956 58.684 2.272 1
1 411 . 2 1 1 A 39 39 SER CB C 35 64.425 63.940 0.485 1
1 412 . 2 1 1 A 39 39 SER N N 35 111.865 113.808 -1.943 1
1 413 . 2 1 1 A 40 40 THR H H 36 8.438 8.713 -0.275 1
1 414 . 2 1 1 A 40 40 THR HA H 36 4.672 3.900 0.772 1
1 419 . 2 1 1 A 40 40 THR CA C 36 59.859 65.448 -5.589 1
1 421 . 2 1 1 A 40 40 THR N N 36 114.335 121.431 -7.096 1
1 422 . 2 1 1 A 41 41 SER C C 37 174.129 175.692 -1.563 1
1 423 . 2 1 1 A 41 41 SER CA C 37 60.964 61.056 -0.092 1
1 424 . 2 1 1 A 41 41 SER CB C 37 63.605 63.342 0.263 1
1 425 . 2 1 1 A 42 42 LEU H H 38 8.643 7.879 0.764 1
1 426 . 2 1 1 A 42 42 LEU HA H 38 4.679 4.384 0.295 1
1 436 . 2 1 1 A 42 42 LEU C C 38 176.347 177.962 -1.615 1
1 437 . 2 1 1 A 42 42 LEU CA C 38 54.842 55.797 -0.955 1
1 438 . 2 1 1 A 42 42 LEU CB C 38 41.117 43.532 -2.415 1
1 439 . 2 1 1 A 42 42 LEU N N 38 121.245 118.527 2.718 1
1 440 . 2 1 1 A 43 43 ARG H H 39 7.583 8.448 -0.865 1
1 441 . 2 1 1 A 43 43 ARG HA H 39 4.173 4.055 0.118 1
1 448 . 2 1 1 A 43 43 ARG C C 39 175.925 178.349 -2.424 1
1 449 . 2 1 1 A 43 43 ARG CA C 39 60.907 59.992 0.915 1
1 450 . 2 1 1 A 43 43 ARG N N 39 123.341 121.002 2.339 1
1 451 . 2 1 1 A 44 44 GLN H H 40 8.203 8.055 0.148 1
1 452 . 2 1 1 A 44 44 GLN HA H 40 3.974 3.907 0.067 1
1 459 . 2 1 1 A 44 44 GLN C C 40 175.608 178.381 -2.773 1
1 460 . 2 1 1 A 44 44 GLN CA C 40 58.622 59.181 -0.559 1
1 461 . 2 1 1 A 44 44 GLN CB C 40 28.591 28.068 0.523 1
1 464 . 2 1 1 A 44 44 GLN N N 40 114.940 118.551 -3.611 1
1 466 . 2 1 1 A 45 45 GLU H H 41 7.616 8.044 -0.428 1
1 467 . 2 1 1 A 45 45 GLU HA H 41 3.947 4.027 -0.080 1
1 472 . 2 1 1 A 45 45 GLU CA C 41 59.009 59.365 -0.356 1
1 473 . 2 1 1 A 45 45 GLU CB C 41 30.110 29.901 0.209 1
1 474 . 2 1 1 A 45 45 GLU N N 41 120.916 119.351 1.565 1
1 475 . 2 1 1 A 46 46 MET H H 42 7.474 8.235 -0.761 1
1 476 . 2 1 1 A 46 46 MET HA H 42 4.778 4.217 0.561 1
1 483 . 2 1 1 A 46 46 MET C C 42 176.347 178.272 -1.925 1
1 484 . 2 1 1 A 46 46 MET CA C 42 59.567 58.221 1.346 1
1 485 . 2 1 1 A 46 46 MET CB C 42 30.294 33.134 -2.840 1
1 487 . 2 1 1 A 46 46 MET N N 42 118.736 119.176 -0.440 1
1 488 . 2 1 1 A 47 47 VAL H H 43 8.006 8.557 -0.551 1
1 489 . 2 1 1 A 47 47 VAL HA H 43 3.624 3.522 0.102 1
1 497 . 2 1 1 A 47 47 VAL C C 43 176.911 177.169 -0.258 1
1 498 . 2 1 1 A 47 47 VAL CA C 43 65.362 64.959 0.403 1
1 499 . 2 1 1 A 47 47 VAL CB C 43 31.859 30.402 1.457 1
1 501 . 2 1 1 A 47 47 VAL N N 43 116.804 118.791 -1.987 1
1 502 . 2 1 1 A 48 48 GLN H H 44 7.935 7.822 0.113 1
1 503 . 2 1 1 A 48 48 GLN HA H 44 3.972 3.938 0.034 1
1 510 . 2 1 1 A 48 48 GLN C C 44 178.636 178.443 0.193 1
1 511 . 2 1 1 A 48 48 GLN CA C 44 58.472 58.920 -0.448 1
1 512 . 2 1 1 A 48 48 GLN CB C 44 30.542 28.484 2.058 1
1 513 . 2 1 1 A 48 48 GLN N N 44 117.704 121.790 -4.086 1
1 515 . 2 1 1 A 49 49 ARG H H 45 8.100 8.003 0.097 1
1 516 . 2 1 1 A 49 49 ARG HA H 45 3.906 4.091 -0.185 1
1 521 . 2 1 1 A 49 49 ARG CA C 45 59.397 58.511 0.886 1
1 522 . 2 1 1 A 49 49 ARG CB C 45 29.993 29.953 0.040 1
1 523 . 2 1 1 A 49 49 ARG N N 45 120.984 119.959 1.025 1
1 524 . 2 1 1 A 50 50 ALA H H 46 8.279 7.557 0.722 1
1 525 . 2 1 1 A 50 50 ALA HA H 46 3.782 4.232 -0.450 1
1 529 . 2 1 1 A 50 50 ALA C C 46 178.073 179.079 -1.006 1
1 530 . 2 1 1 A 50 50 ALA CA C 46 51.408 53.877 -2.469 1
1 531 . 2 1 1 A 50 50 ALA CB C 46 18.883 18.837 0.046 1
1 532 . 2 1 1 A 50 50 ALA N N 46 118.254 121.757 -3.503 1
1 533 . 2 1 1 A 51 51 ASN H H 47 7.706 8.507 -0.801 1
1 534 . 2 1 1 A 51 51 ASN HA H 47 4.420 5.100 -0.680 1
1 539 . 2 1 1 A 51 51 ASN C C 47 174.974 175.586 -0.612 1
1 540 . 2 1 1 A 51 51 ASN CA C 47 54.303 54.377 -0.074 1
1 541 . 2 1 1 A 51 51 ASN CB C 47 37.804 40.806 -3.002 1
1 543 . 2 1 1 A 51 51 ASN N N 47 115.277 114.427 0.850 1
1 545 . 2 1 1 A 52 52 GLY H H 48 8.702 7.837 0.865 1
1 546 . 2 1 1 A 52 52 GLY HA2 H 48 4.267 4.037 0.230 1
1 547 . 2 1 1 A 52 52 GLY HA3 H 48 3.379 4.041 -0.662 1
1 548 . 2 1 1 A 52 52 GLY CA C 48 45.176 45.432 -0.256 1
1 549 . 2 1 1 A 52 52 GLY N N 48 104.035 107.407 -3.372 1
1 550 . 2 1 1 A 53 53 ARG H H 49 7.116 7.879 -0.763 1
1 551 . 2 1 1 A 53 53 ARG HA H 49 4.144 4.993 -0.849 1
1 558 . 2 1 1 A 53 53 ARG C C 49 176.101 173.767 2.334 1
1 559 . 2 1 1 A 53 53 ARG CA C 49 57.285 55.797 1.488 1
1 560 . 2 1 1 A 53 53 ARG N N 49 121.384 121.017 0.367 1
1 561 . 2 1 1 A 54 54 ASN H H 50 7.958 8.805 -0.847 1
1 562 . 2 1 1 A 54 54 ASN HA H 50 4.589 5.142 -0.553 1
1 567 . 2 1 1 A 54 54 ASN CA C 50 51.568 53.004 -1.436 1
1 568 . 2 1 1 A 54 54 ASN CB C 50 38.018 42.662 -4.644 1
1 570 . 2 1 1 A 54 54 ASN N N 50 116.546 123.553 -7.007 1
1 572 . 2 1 1 A 55 55 THR H H 51 6.818 8.692 -1.874 1
1 573 . 2 1 1 A 55 55 THR HA H 51 4.283 4.556 -0.273 1
1 578 . 2 1 1 A 55 55 THR C C 51 172.509 172.177 0.332 1
1 579 . 2 1 1 A 55 55 THR CA C 51 59.829 60.718 -0.889 1
1 580 . 2 1 1 A 55 55 THR CB C 51 70.400 69.282 1.118 1
1 582 . 2 1 1 A 55 55 THR N N 51 108.070 117.364 -9.294 1
1 583 . 2 1 1 A 56 56 PHE H H 52 8.444 7.718 0.726 1
1 584 . 2 1 1 A 56 56 PHE HA H 52 4.730 4.871 -0.141 1
1 592 . 2 1 1 A 56 56 PHE CA C 52 55.529 55.794 -0.265 1
1 593 . 2 1 1 A 56 56 PHE N N 52 116.926 125.024 -8.098 1
1 594 . 2 1 1 A 57 57 PRO CA C 53 62.827 63.110 -0.283 1
1 595 . 2 1 1 A 57 57 PRO CB C 53 35.258 32.142 3.116 1
1 596 . 2 1 1 A 58 58 GLN H H 54 8.070 8.462 -0.392 1
1 597 . 2 1 1 A 58 58 GLN HA H 54 4.853 4.866 -0.013 1
1 604 . 2 1 1 A 58 58 GLN C C 54 175.291 172.980 2.311 1
1 605 . 2 1 1 A 58 58 GLN CA C 54 55.071 55.040 0.031 1
1 606 . 2 1 1 A 58 58 GLN CB C 54 32.237 31.149 1.088 1
1 607 . 2 1 1 A 58 58 GLN N N 54 113.697 116.822 -3.125 1
1 609 . 2 1 1 A 59 59 ILE H H 55 8.753 8.739 0.014 1
1 610 . 2 1 1 A 59 59 ILE HA H 55 5.089 4.702 0.387 1
1 620 . 2 1 1 A 59 59 ILE C C 55 174.164 174.938 -0.774 1
1 621 . 2 1 1 A 59 59 ILE CA C 55 61.194 60.529 0.665 1
1 622 . 2 1 1 A 59 59 ILE CB C 55 40.657 39.380 1.277 1
1 625 . 2 1 1 A 59 59 ILE N N 55 122.202 121.685 0.517 1
1 626 . 2 1 1 A 60 60 PHE H H 56 9.564 9.251 0.313 1
1 627 . 2 1 1 A 60 60 PHE HA H 56 5.390 5.203 0.187 1
1 635 . 2 1 1 A 60 60 PHE C C 56 174.305 175.212 -0.907 1
1 636 . 2 1 1 A 60 60 PHE CA C 56 56.614 57.665 -1.051 1
1 637 . 2 1 1 A 60 60 PHE CB C 56 42.488 42.143 0.345 1
1 638 . 2 1 1 A 60 60 PHE N N 56 127.604 127.547 0.057 1
1 639 . 2 1 1 A 61 61 ILE H H 57 9.231 8.840 0.391 1
1 640 . 2 1 1 A 61 61 ILE HA H 57 4.483 4.860 -0.377 1
1 650 . 2 1 1 A 61 61 ILE C C 57 176.418 176.184 0.234 1
1 651 . 2 1 1 A 61 61 ILE CA C 57 60.800 59.516 1.284 1
1 652 . 2 1 1 A 61 61 ILE CB C 57 39.431 40.204 -0.773 1
1 656 . 2 1 1 A 61 61 ILE N N 57 121.606 119.392 2.214 1
1 657 . 2 1 1 A 62 62 GLY H H 58 9.118 9.196 -0.078 1
1 658 . 2 1 1 A 62 62 GLY HA2 H 58 4.092 3.940 0.152 1
1 659 . 2 1 1 A 62 62 GLY HA3 H 58 3.951 3.965 -0.014 1
1 660 . 2 1 1 A 62 62 GLY C C 58 174.058 174.420 -0.362 1
1 661 . 2 1 1 A 62 62 GLY CA C 58 47.516 47.494 0.022 1
1 662 . 2 1 1 A 62 62 GLY N N 58 118.483 115.148 3.335 1
1 663 . 2 1 1 A 63 63 ASP H H 59 8.944 8.583 0.361 1
1 664 . 2 1 1 A 63 63 ASP HA H 59 4.762 5.003 -0.241 1
1 667 . 2 1 1 A 63 63 ASP C C 59 175.220 174.223 0.997 1
1 668 . 2 1 1 A 63 63 ASP CA C 59 54.467 53.809 0.658 1
1 669 . 2 1 1 A 63 63 ASP CB C 59 40.913 42.189 -1.276 1
1 670 . 2 1 1 A 63 63 ASP N N 59 125.981 125.926 0.055 1
1 671 . 2 1 1 A 64 64 TYR H H 60 8.332 7.947 0.385 1
1 672 . 2 1 1 A 64 64 TYR HA H 60 4.600 4.882 -0.282 1
1 679 . 2 1 1 A 64 64 TYR C C 60 174.023 173.740 0.283 1
1 680 . 2 1 1 A 64 64 TYR CA C 60 57.761 56.419 1.342 1
1 681 . 2 1 1 A 64 64 TYR CB C 60 33.473 42.207 -8.734 1
1 682 . 2 1 1 A 64 64 TYR N N 60 122.443 121.640 0.803 1
1 683 . 2 1 1 A 65 65 HIS H H 61 8.625 7.729 0.896 1
1 684 . 2 1 1 A 65 65 HIS HA H 61 4.200 4.664 -0.464 1
1 689 . 2 1 1 A 65 65 HIS C C 61 171.910 174.496 -2.586 1
1 690 . 2 1 1 A 65 65 HIS CA C 61 53.347 52.925 0.422 1
1 691 . 2 1 1 A 65 65 HIS CB C 61 28.830 31.502 -2.672 1
1 692 . 2 1 1 A 65 65 HIS N N 61 129.863 120.896 8.967 1
1 693 . 2 1 1 A 66 66 VAL H H 62 8.059 8.626 -0.567 1
1 694 . 2 1 1 A 66 66 VAL HA H 62 3.316 3.493 -0.177 1
1 702 . 2 1 1 A 66 66 VAL CA C 62 64.194 64.704 -0.510 1
1 703 . 2 1 1 A 66 66 VAL CB C 62 32.770 32.062 0.708 1
1 705 . 2 1 1 A 66 66 VAL N N 62 129.219 122.402 6.817 1
1 706 . 2 1 1 A 67 67 GLY H H 63 6.327 7.821 -1.494 1
1 707 . 2 1 1 A 67 67 GLY HA2 H 63 4.503 4.006 0.497 1
1 708 . 2 1 1 A 67 67 GLY HA3 H 63 2.870 4.031 -1.161 1
1 709 . 2 1 1 A 67 67 GLY C C 63 172.156 173.987 -1.831 1
1 710 . 2 1 1 A 67 67 GLY CA C 63 43.551 45.148 -1.597 1
1 711 . 2 1 1 A 67 67 GLY N N 63 102.548 108.596 -6.048 1
1 712 . 2 1 1 A 68 68 GLY H H 64 9.095 7.991 1.104 1
1 713 . 2 1 1 A 68 68 GLY HA2 H 64 4.863 4.172 0.691 1
1 714 . 2 1 1 A 68 68 GLY HA3 H 64 3.821 4.184 -0.363 1
1 715 . 2 1 1 A 68 68 GLY C C 64 172.509 174.763 -2.254 1
1 716 . 2 1 1 A 68 68 GLY CA C 64 43.870 44.517 -0.647 1
1 717 . 2 1 1 A 68 68 GLY N N 64 110.080 107.718 2.362 1
1 718 . 2 1 1 A 69 69 CYS H H 65 8.398 9.219 -0.821 1
1 719 . 2 1 1 A 69 69 CYS HA H 65 3.846 3.892 -0.046 1
1 722 . 2 1 1 A 69 69 CYS C C 65 173.741 176.566 -2.825 1
1 723 . 2 1 1 A 69 69 CYS CA C 65 62.944 61.615 1.329 1
1 724 . 2 1 1 A 69 69 CYS CB C 65 45.022 27.088 17.934 1
1 725 . 2 1 1 A 69 69 CYS N N 65 118.292 121.599 -3.307 1
1 726 . 2 1 1 A 70 70 ASP H H 66 9.110 8.614 0.496 1
1 727 . 2 1 1 A 70 70 ASP HA H 66 5.745 4.471 1.274 1
1 730 . 2 1 1 A 70 70 ASP C C 66 178.777 177.665 1.112 1
1 731 . 2 1 1 A 70 70 ASP CA C 66 57.437 56.529 0.908 1
1 732 . 2 1 1 A 70 70 ASP CB C 66 40.016 39.530 0.486 1
1 733 . 2 1 1 A 70 70 ASP N N 66 123.178 119.747 3.431 1
1 734 . 2 1 1 A 71 71 ASP H H 67 7.301 8.197 -0.896 1
1 735 . 2 1 1 A 71 71 ASP HA H 67 4.362 4.394 -0.032 1
1 738 . 2 1 1 A 71 71 ASP C C 67 177.474 178.339 -0.865 1
1 739 . 2 1 1 A 71 71 ASP CA C 67 57.381 57.272 0.109 1
1 740 . 2 1 1 A 71 71 ASP CB C 67 41.503 40.486 1.017 1
1 741 . 2 1 1 A 71 71 ASP N N 67 119.848 120.937 -1.089 1
1 742 . 2 1 1 A 72 72 LEU H H 68 7.805 7.189 0.616 1
1 743 . 2 1 1 A 72 72 LEU HA H 68 3.822 3.966 -0.144 1
1 753 . 2 1 1 A 72 72 LEU C C 68 177.509 178.919 -1.410 1
1 754 . 2 1 1 A 72 72 LEU CA C 68 58.446 57.718 0.728 1
1 755 . 2 1 1 A 72 72 LEU CB C 68 42.524 40.985 1.539 1
1 757 . 2 1 1 A 72 72 LEU N N 68 121.720 118.817 2.903 1
1 758 . 2 1 1 A 73 73 TYR H H 69 8.229 7.477 0.752 1
1 759 . 2 1 1 A 73 73 TYR HA H 69 3.772 4.275 -0.503 1
1 766 . 2 1 1 A 73 73 TYR C C 69 177.721 178.581 -0.860 1
1 767 . 2 1 1 A 73 73 TYR CA C 69 62.867 60.297 2.570 1
1 768 . 2 1 1 A 73 73 TYR CB C 69 38.215 37.586 0.629 1
1 769 . 2 1 1 A 73 73 TYR N N 69 116.501 119.497 -2.996 1
1 770 . 2 1 1 A 74 74 ALA H H 70 8.275 8.455 -0.180 1
1 771 . 2 1 1 A 74 74 ALA HA H 70 4.286 4.068 0.218 1
1 775 . 2 1 1 A 74 74 ALA C C 70 180.045 179.936 0.109 1
1 776 . 2 1 1 A 74 74 ALA CA C 70 55.701 55.194 0.507 1
1 777 . 2 1 1 A 74 74 ALA CB C 70 17.944 18.259 -0.315 1
1 778 . 2 1 1 A 74 74 ALA N N 70 122.883 122.604 0.279 1
1 779 . 2 1 1 A 75 75 LEU H H 71 7.558 8.227 -0.669 1
1 780 . 2 1 1 A 75 75 LEU HA H 71 3.975 3.853 0.122 1
1 790 . 2 1 1 A 75 75 LEU C C 71 179.024 178.907 0.117 1
1 791 . 2 1 1 A 75 75 LEU CA C 71 57.994 58.197 -0.203 1
1 792 . 2 1 1 A 75 75 LEU CB C 71 42.836 41.588 1.248 1
1 793 . 2 1 1 A 75 75 LEU N N 71 117.133 118.262 -1.129 1
1 794 . 2 1 1 A 76 76 GLU H H 72 7.587 8.318 -0.731 1
1 795 . 2 1 1 A 76 76 GLU HA H 72 4.473 3.909 0.564 1
1 800 . 2 1 1 A 76 76 GLU C C 72 179.270 178.544 0.726 1
1 801 . 2 1 1 A 76 76 GLU CA C 72 58.296 59.967 -1.671 1
1 802 . 2 1 1 A 76 76 GLU CB C 72 28.457 29.226 -0.769 1
1 803 . 2 1 1 A 76 76 GLU N N 72 121.576 119.266 2.310 1
1 804 . 2 1 1 A 77 77 ASN H H 73 8.863 7.955 0.908 1
1 805 . 2 1 1 A 77 77 ASN HA H 73 4.511 4.524 -0.013 1
1 810 . 2 1 1 A 77 77 ASN C C 73 176.664 176.847 -0.183 1
1 811 . 2 1 1 A 77 77 ASN CA C 73 55.944 55.380 0.564 1
1 812 . 2 1 1 A 77 77 ASN CB C 73 38.660 38.662 -0.002 1
1 814 . 2 1 1 A 77 77 ASN N N 73 120.232 118.242 1.990 1
1 816 . 2 1 1 A 78 78 LYS H H 74 7.617 7.547 0.070 1
1 817 . 2 1 1 A 78 78 LYS HA H 74 4.426 4.307 0.119 1
1 826 . 2 1 1 A 78 78 LYS C C 74 176.312 176.435 -0.123 1
1 827 . 2 1 1 A 78 78 LYS CA C 74 55.863 56.285 -0.422 1
1 828 . 2 1 1 A 78 78 LYS CB C 74 33.482 32.983 0.499 1
1 829 . 2 1 1 A 78 78 LYS N N 74 115.597 116.406 -0.809 1
1 830 . 2 1 1 A 79 79 GLY H H 75 8.023 7.632 0.391 1
1 831 . 2 1 1 A 79 79 GLY HA2 H 75 4.060 3.988 0.072 1
1 832 . 2 1 1 A 79 79 GLY HA3 H 75 4.060 3.992 0.068 1
1 833 . 2 1 1 A 79 79 GLY C C 75 175.009 175.763 -0.754 1
1 834 . 2 1 1 A 79 79 GLY CA C 75 46.234 45.163 1.071 1
1 835 . 2 1 1 A 79 79 GLY N N 75 109.073 105.760 3.313 1
1 836 . 2 1 1 A 80 80 LYS H H 76 8.091 8.582 -0.491 1
1 837 . 2 1 1 A 80 80 LYS HA H 76 4.422 4.328 0.094 1
1 846 . 2 1 1 A 80 80 LYS C C 76 173.037 177.623 -4.586 1
1 847 . 2 1 1 A 80 80 LYS CA C 76 55.679 56.823 -1.144 1
1 848 . 2 1 1 A 80 80 LYS CB C 76 35.038 32.444 2.594 1
1 849 . 2 1 1 A 80 80 LYS N N 76 116.888 120.734 -3.846 1
1 850 . 2 1 1 A 81 81 LEU H H 77 7.411 7.817 -0.406 1
1 851 . 2 1 1 A 81 81 LEU HA H 77 4.003 3.977 0.026 1
1 861 . 2 1 1 A 81 81 LEU C C 77 177.333 177.749 -0.416 1
1 862 . 2 1 1 A 81 81 LEU CA C 77 57.512 58.077 -0.565 1
1 863 . 2 1 1 A 81 81 LEU CB C 77 40.676 41.374 -0.698 1
1 864 . 2 1 1 A 81 81 LEU N N 77 122.079 122.178 -0.099 1
1 865 . 2 1 1 A 82 82 ASP H H 78 8.613 8.145 0.468 1
1 866 . 2 1 1 A 82 82 ASP HA H 78 4.232 4.278 -0.046 1
1 869 . 2 1 1 A 82 82 ASP C C 78 178.354 178.029 0.325 1
1 870 . 2 1 1 A 82 82 ASP CA C 78 58.438 57.789 0.649 1
1 871 . 2 1 1 A 82 82 ASP CB C 78 39.890 41.764 -1.874 1
1 872 . 2 1 1 A 82 82 ASP N N 78 118.813 119.423 -0.610 1
1 873 . 2 1 1 A 83 83 SER H H 79 7.886 7.821 0.065 1
1 874 . 2 1 1 A 83 83 SER HA H 79 4.164 4.191 -0.027 1
1 877 . 2 1 1 A 83 83 SER C C 79 176.171 177.438 -1.267 1
1 878 . 2 1 1 A 83 83 SER CA C 79 61.285 61.428 -0.143 1
1 879 . 2 1 1 A 83 83 SER CB C 79 62.632 62.941 -0.309 1
1 880 . 2 1 1 A 83 83 SER N N 79 113.338 113.702 -0.364 1
1 881 . 2 1 1 A 84 84 LEU H H 80 7.354 8.164 -0.810 1
1 882 . 2 1 1 A 84 84 LEU HA H 80 4.152 4.038 0.114 1
1 892 . 2 1 1 A 84 84 LEU C C 80 173.671 179.682 -6.011 1
1 893 . 2 1 1 A 84 84 LEU CA C 80 56.841 58.054 -1.213 1
1 894 . 2 1 1 A 84 84 LEU CB C 80 42.682 41.587 1.095 1
1 897 . 2 1 1 A 84 84 LEU N N 80 121.453 121.864 -0.411 1
1 898 . 2 1 1 A 85 85 LEU H H 81 7.655 8.220 -0.565 1
1 899 . 2 1 1 A 85 85 LEU HA H 81 4.113 4.011 0.102 1
1 909 . 2 1 1 A 85 85 LEU C C 81 177.333 178.759 -1.426 1
1 910 . 2 1 1 A 85 85 LEU CA C 81 55.748 57.984 -2.236 1
1 911 . 2 1 1 A 85 85 LEU CB C 81 41.707 41.602 0.105 1
1 914 . 2 1 1 A 85 85 LEU N N 81 115.497 119.865 -4.368 1
1 915 . 2 1 1 A 86 86 GLN H H 82 7.414 8.284 -0.870 1
1 916 . 2 1 1 A 86 86 GLN HA H 82 4.177 4.068 0.109 1
1 923 . 2 1 1 A 86 86 GLN C C 82 175.537 177.491 -1.954 1
1 924 . 2 1 1 A 86 86 GLN CA C 82 56.986 58.554 -1.568 1
1 925 . 2 1 1 A 86 86 GLN CB C 82 29.187 28.942 0.245 1
1 928 . 2 1 1 A 86 86 GLN N N 82 117.020 118.275 -1.255 1
1 930 . 2 1 1 A 87 87 ASP H H 83 8.092 8.003 0.089 1
1 931 . 2 1 1 A 87 87 ASP HA H 83 4.672 4.668 0.004 1
1 934 . 2 1 1 A 87 87 ASP C C 83 177.263 178.489 -1.226 1
1 935 . 2 1 1 A 87 87 ASP CA C 83 54.394 56.661 -2.267 1
1 936 . 2 1 1 A 87 87 ASP CB C 83 40.722 41.125 -0.403 1
1 937 . 2 1 1 A 87 87 ASP N N 83 119.072 118.856 0.216 1
1 938 . 2 1 1 A 88 88 VAL H H 84 7.692 8.110 -0.418 1
1 939 . 2 1 1 A 88 88 VAL HA H 84 4.175 3.946 0.229 1
1 947 . 2 1 1 A 88 88 VAL C C 84 174.164 177.617 -3.453 1
1 948 . 2 1 1 A 88 88 VAL CA C 84 62.165 65.483 -3.318 1
1 949 . 2 1 1 A 88 88 VAL CB C 84 32.284 31.222 1.062 1
1 952 . 2 1 1 A 88 88 VAL N N 84 118.778 116.457 2.321 1
1 1 . 3 1 1 A 2 2 PRO C C -2 177.005 176.354 0.651 1
1 2 . 3 1 1 A 2 2 PRO CA C -2 63.481 62.822 0.659 1
1 3 . 3 1 1 A 2 2 PRO CB C -2 32.244 32.266 -0.022 1
1 4 . 3 1 1 A 3 3 GLY H H -1 8.665 8.555 0.110 1
1 5 . 3 1 1 A 3 3 GLY HA2 H -1 3.985 4.149 -0.164 1
1 6 . 3 1 1 A 3 3 GLY HA3 H -1 3.985 4.151 -0.166 1
1 7 . 3 1 1 A 3 3 GLY C C -1 173.706 172.901 0.805 1
1 8 . 3 1 1 A 3 3 GLY CA C -1 45.291 44.770 0.521 1
1 9 . 3 1 1 A 3 3 GLY N N -1 109.788 108.859 0.929 1
1 10 . 3 1 1 A 4 4 SER H H 0 8.190 8.692 -0.502 1
1 11 . 3 1 1 A 4 4 SER HA H 0 4.477 5.429 -0.952 1
1 14 . 3 1 1 A 4 4 SER C C 0 175.738 173.377 2.361 1
1 15 . 3 1 1 A 4 4 SER CA C 0 58.322 56.870 1.452 1
1 16 . 3 1 1 A 4 4 SER CB C 0 63.927 64.246 -0.319 1
1 17 . 3 1 1 A 4 4 SER N N 0 115.613 115.214 0.399 1
1 18 . 3 1 1 A 5 5 MET H H 1 8.458 8.776 -0.318 1
1 19 . 3 1 1 A 5 5 MET HA H 1 4.320 5.167 -0.847 1
1 27 . 3 1 1 A 5 5 MET C C 1 173.977 175.362 -1.385 1
1 28 . 3 1 1 A 5 5 MET CA C 1 56.011 54.494 1.517 1
1 29 . 3 1 1 A 5 5 MET CB C 1 33.797 36.957 -3.160 1
1 30 . 3 1 1 A 5 5 MET N N 1 122.334 124.259 -1.925 1
1 31 . 3 1 1 A 6 6 LYS H H 2 8.445 8.754 -0.309 1
1 32 . 3 1 1 A 6 6 LYS HA H 2 4.566 4.747 -0.181 1
1 39 . 3 1 1 A 6 6 LYS C C 2 174.575 175.795 -1.220 1
1 40 . 3 1 1 A 6 6 LYS CA C 2 55.887 55.427 0.460 1
1 41 . 3 1 1 A 6 6 LYS CB C 2 33.848 34.124 -0.276 1
1 42 . 3 1 1 A 6 6 LYS N N 2 122.229 123.149 -0.920 1
1 43 . 3 1 1 A 7 7 GLU H H 3 8.324 9.238 -0.914 1
1 44 . 3 1 1 A 7 7 GLU HA H 3 4.440 5.124 -0.684 1
1 49 . 3 1 1 A 7 7 GLU C C 3 175.491 173.934 1.557 1
1 50 . 3 1 1 A 7 7 GLU CA C 3 55.680 54.589 1.091 1
1 51 . 3 1 1 A 7 7 GLU CB C 3 31.513 33.436 -1.923 1
1 52 . 3 1 1 A 7 7 GLU N N 3 121.539 117.264 4.275 1
1 53 . 3 1 1 A 8 8 ILE H H 4 9.014 8.887 0.127 1
1 54 . 3 1 1 A 8 8 ILE HA H 4 5.025 5.067 -0.042 1
1 64 . 3 1 1 A 8 8 ILE C C 4 174.199 174.250 -0.051 1
1 65 . 3 1 1 A 8 8 ILE CA C 4 60.927 59.895 1.032 1
1 66 . 3 1 1 A 8 8 ILE CB C 4 38.759 40.960 -2.201 1
1 69 . 3 1 1 A 8 8 ILE N N 4 127.255 124.108 3.147 1
1 70 . 3 1 1 A 9 9 ILE H H 5 9.104 9.163 -0.059 1
1 71 . 3 1 1 A 9 9 ILE HA H 5 4.900 4.955 -0.055 1
1 81 . 3 1 1 A 9 9 ILE C C 5 173.906 175.204 -1.298 1
1 82 . 3 1 1 A 9 9 ILE CA C 5 59.727 59.427 0.300 1
1 83 . 3 1 1 A 9 9 ILE CB C 5 41.627 41.931 -0.304 1
1 87 . 3 1 1 A 9 9 ILE N N 5 128.326 128.831 -0.505 1
1 88 . 3 1 1 A 10 10 LEU H H 6 8.891 8.764 0.127 1
1 89 . 3 1 1 A 10 10 LEU HA H 6 5.157 5.165 -0.008 1
1 96 . 3 1 1 A 10 10 LEU CA C 6 54.076 53.454 0.622 1
1 97 . 3 1 1 A 10 10 LEU CB C 6 44.892 44.569 0.323 1
1 100 . 3 1 1 A 10 10 LEU N N 6 125.779 124.459 1.320 1
1 101 . 3 1 1 A 11 11 TYR H H 7 9.099 9.013 0.086 1
1 102 . 3 1 1 A 11 11 TYR HA H 7 4.336 5.280 -0.944 1
1 109 . 3 1 1 A 11 11 TYR C C 7 177.041 175.446 1.595 1
1 110 . 3 1 1 A 11 11 TYR CA C 7 57.379 56.922 0.457 1
1 111 . 3 1 1 A 11 11 TYR CB C 7 40.345 39.252 1.093 1
1 112 . 3 1 1 A 12 12 THR H H 8 9.286 8.590 0.696 1
1 113 . 3 1 1 A 12 12 THR HA H 8 5.105 5.019 0.086 1
1 118 . 3 1 1 A 12 12 THR C C 8 172.005 173.184 -1.179 1
1 119 . 3 1 1 A 12 12 THR CA C 8 60.604 61.047 -0.443 1
1 120 . 3 1 1 A 12 12 THR CB C 8 73.108 71.005 2.103 1
1 122 . 3 1 1 A 12 12 THR N N 8 111.938 115.138 -3.200 1
1 123 . 3 1 1 A 13 13 ARG H H 9 7.513 8.525 -1.012 1
1 124 . 3 1 1 A 13 13 ARG HA H 9 4.826 4.823 0.003 1
1 131 . 3 1 1 A 13 13 ARG CA C 9 52.836 54.199 -1.363 1
1 132 . 3 1 1 A 13 13 ARG CB C 9 31.436 30.952 0.484 1
1 133 . 3 1 1 A 13 13 ARG N N 9 114.036 120.354 -6.318 1
1 134 . 3 1 1 A 14 14 PRO HA H 10 4.294 4.537 -0.243 1
1 141 . 3 1 1 A 14 14 PRO C C 10 176.477 177.044 -0.567 1
1 142 . 3 1 1 A 14 14 PRO CA C 10 63.464 64.251 -0.787 1
1 143 . 3 1 1 A 14 14 PRO CB C 10 32.615 31.653 0.962 1
1 144 . 3 1 1 A 15 15 ASN H H 11 8.987 8.080 0.907 1
1 145 . 3 1 1 A 15 15 ASN HA H 11 4.240 4.942 -0.702 1
1 150 . 3 1 1 A 15 15 ASN C C 11 176.266 173.705 2.561 1
1 151 . 3 1 1 A 15 15 ASN CA C 11 54.464 52.276 2.188 1
1 152 . 3 1 1 A 15 15 ASN CB C 11 37.500 37.727 -0.227 1
1 154 . 3 1 1 A 15 15 ASN N N 11 115.463 115.328 0.135 1
1 156 . 3 1 1 A 16 16 CYS H H 12 7.324 7.932 -0.608 1
1 157 . 3 1 1 A 16 16 CYS HA H 12 4.931 4.960 -0.029 1
1 160 . 3 1 1 A 16 16 CYS CA C 12 56.277 56.467 -0.190 1
1 161 . 3 1 1 A 16 16 CYS N N 12 123.174 117.515 5.659 1
1 162 . 3 1 1 A 17 17 PRO C C 13 178.555 176.447 2.108 1
1 163 . 3 1 1 A 17 17 PRO CA C 13 64.409 64.173 0.236 1
1 164 . 3 1 1 A 17 17 PRO CB C 13 33.538 31.639 1.899 1
1 165 . 3 1 1 A 18 18 TYR H H 14 9.325 7.913 1.412 1
1 166 . 3 1 1 A 18 18 TYR HA H 14 4.404 4.448 -0.044 1
1 173 . 3 1 1 A 18 18 TYR CA C 14 60.921 59.510 1.411 1
1 174 . 3 1 1 A 18 18 TYR N N 14 127.149 115.052 12.097 1
1 175 . 3 1 1 A 19 19 CYS H H 15 9.687 8.561 1.126 1
1 176 . 3 1 1 A 19 19 CYS HA H 15 4.725 4.334 0.391 1
1 177 . 3 1 1 A 19 19 CYS C C 15 174.998 177.022 -2.024 1
1 178 . 3 1 1 A 19 19 CYS CA C 15 64.573 61.638 2.935 1
1 179 . 3 1 1 A 19 19 CYS CB C 15 29.227 27.228 1.999 1
1 180 . 3 1 1 A 19 19 CYS N N 15 127.652 120.302 7.350 1
1 181 . 3 1 1 A 20 20 LYS H H 16 7.706 8.150 -0.444 1
1 182 . 3 1 1 A 20 20 LYS HA H 16 3.946 3.946 0.000 1
1 191 . 3 1 1 A 20 20 LYS C C 16 177.252 179.535 -2.283 1
1 192 . 3 1 1 A 20 20 LYS CA C 16 59.857 59.740 0.117 1
1 193 . 3 1 1 A 20 20 LYS CB C 16 32.542 32.344 0.198 1
1 194 . 3 1 1 A 20 20 LYS N N 16 119.200 121.459 -2.259 1
1 195 . 3 1 1 A 21 21 ARG H H 17 7.839 8.223 -0.384 1
1 196 . 3 1 1 A 21 21 ARG HA H 17 4.176 4.095 0.081 1
1 203 . 3 1 1 A 21 21 ARG C C 17 179.858 178.657 1.201 1
1 204 . 3 1 1 A 21 21 ARG CA C 17 59.647 59.249 0.398 1
1 205 . 3 1 1 A 21 21 ARG CB C 17 30.340 29.891 0.449 1
1 206 . 3 1 1 A 21 21 ARG N N 17 117.964 119.922 -1.958 1
1 207 . 3 1 1 A 22 22 ALA H H 18 8.084 8.155 -0.071 1
1 208 . 3 1 1 A 22 22 ALA HA H 18 4.168 4.088 0.080 1
1 212 . 3 1 1 A 22 22 ALA C C 18 177.322 179.566 -2.244 1
1 213 . 3 1 1 A 22 22 ALA CA C 18 55.859 55.496 0.363 1
1 214 . 3 1 1 A 22 22 ALA CB C 18 19.047 18.323 0.724 1
1 215 . 3 1 1 A 22 22 ALA N N 18 124.839 121.798 3.041 1
1 216 . 3 1 1 A 23 23 ARG H H 19 7.811 7.947 -0.136 1
1 217 . 3 1 1 A 23 23 ARG HA H 19 3.320 3.439 -0.119 1
1 224 . 3 1 1 A 23 23 ARG C C 19 177.217 178.014 -0.797 1
1 225 . 3 1 1 A 23 23 ARG CA C 19 60.780 58.675 2.105 1
1 226 . 3 1 1 A 23 23 ARG CB C 19 30.828 29.638 1.190 1
1 227 . 3 1 1 A 23 23 ARG N N 19 116.980 117.178 -0.198 1
1 228 . 3 1 1 A 24 24 ASP H H 20 8.710 8.010 0.700 1
1 229 . 3 1 1 A 24 24 ASP HA H 20 4.299 4.431 -0.132 1
1 232 . 3 1 1 A 24 24 ASP C C 20 178.625 178.348 0.277 1
1 233 . 3 1 1 A 24 24 ASP CA C 20 57.477 57.048 0.429 1
1 234 . 3 1 1 A 24 24 ASP CB C 20 40.551 41.080 -0.529 1
1 235 . 3 1 1 A 24 24 ASP N N 20 116.717 120.191 -3.474 1
1 236 . 3 1 1 A 25 25 LEU H H 21 7.114 7.941 -0.827 1
1 237 . 3 1 1 A 25 25 LEU HA H 21 4.131 4.069 0.062 1
1 246 . 3 1 1 A 25 25 LEU C C 21 177.580 178.410 -0.830 1
1 247 . 3 1 1 A 25 25 LEU CA C 21 57.857 58.383 -0.526 1
1 248 . 3 1 1 A 25 25 LEU CB C 21 41.654 41.696 -0.042 1
1 251 . 3 1 1 A 25 25 LEU N N 21 119.808 120.713 -0.905 1
1 252 . 3 1 1 A 26 26 LEU H H 22 7.294 8.073 -0.779 1
1 253 . 3 1 1 A 26 26 LEU HA H 22 3.767 3.775 -0.008 1
1 262 . 3 1 1 A 26 26 LEU C C 22 178.696 178.578 0.118 1
1 263 . 3 1 1 A 26 26 LEU CA C 22 58.107 58.008 0.099 1
1 264 . 3 1 1 A 26 26 LEU CB C 22 40.750 41.692 -0.942 1
1 267 . 3 1 1 A 26 26 LEU N N 22 117.901 118.906 -1.005 1
1 268 . 3 1 1 A 27 27 ASP H H 23 9.446 8.343 1.103 1
1 269 . 3 1 1 A 27 27 ASP HA H 23 4.608 4.424 0.184 1
1 272 . 3 1 1 A 27 27 ASP C C 23 180.104 178.577 1.527 1
1 273 . 3 1 1 A 27 27 ASP CA C 23 57.406 57.668 -0.262 1
1 274 . 3 1 1 A 27 27 ASP CB C 23 39.839 42.231 -2.392 1
1 275 . 3 1 1 A 27 27 ASP N N 23 119.946 118.705 1.241 1
1 276 . 3 1 1 A 28 28 LYS H H 24 7.915 8.058 -0.143 1
1 277 . 3 1 1 A 28 28 LYS HA H 24 4.079 4.191 -0.112 1
1 286 . 3 1 1 A 28 28 LYS C C 24 178.414 179.396 -0.982 1
1 287 . 3 1 1 A 28 28 LYS CA C 24 59.295 59.262 0.033 1
1 288 . 3 1 1 A 28 28 LYS CB C 24 32.342 32.446 -0.104 1
1 289 . 3 1 1 A 28 28 LYS N N 24 122.484 119.100 3.384 1
1 290 . 3 1 1 A 29 29 LYS H H 25 7.763 7.663 0.100 1
1 291 . 3 1 1 A 29 29 LYS HA H 25 4.195 4.200 -0.005 1
1 300 . 3 1 1 A 29 29 LYS C C 25 176.583 177.126 -0.543 1
1 301 . 3 1 1 A 29 29 LYS CA C 25 56.122 56.597 -0.475 1
1 302 . 3 1 1 A 29 29 LYS CB C 25 32.771 32.717 0.054 1
1 303 . 3 1 1 A 29 29 LYS N N 25 116.683 117.277 -0.594 1
1 304 . 3 1 1 A 30 30 GLY H H 26 7.961 8.049 -0.088 1
1 305 . 3 1 1 A 30 30 GLY HA2 H 26 4.005 4.051 -0.046 1
1 306 . 3 1 1 A 30 30 GLY HA3 H 26 3.894 4.052 -0.158 1
1 307 . 3 1 1 A 30 30 GLY C C 26 174.223 173.855 0.368 1
1 308 . 3 1 1 A 30 30 GLY CA C 26 46.265 45.980 0.285 1
1 309 . 3 1 1 A 30 30 GLY N N 26 108.209 106.513 1.696 1
1 310 . 3 1 1 A 31 31 VAL H H 27 7.440 7.192 0.248 1
1 311 . 3 1 1 A 31 31 VAL HA H 27 4.355 4.902 -0.547 1
1 319 . 3 1 1 A 31 31 VAL C C 27 174.294 174.432 -0.138 1
1 320 . 3 1 1 A 31 31 VAL CA C 27 60.115 59.168 0.947 1
1 321 . 3 1 1 A 31 31 VAL CB C 27 33.737 36.151 -2.414 1
1 323 . 3 1 1 A 31 31 VAL N N 27 114.927 114.887 0.040 1
1 324 . 3 1 1 A 32 32 LYS H H 28 8.408 8.657 -0.249 1
1 325 . 3 1 1 A 32 32 LYS HA H 28 4.268 4.825 -0.557 1
1 334 . 3 1 1 A 32 32 LYS C C 28 175.385 175.542 -0.157 1
1 335 . 3 1 1 A 32 32 LYS CA C 28 55.441 54.894 0.547 1
1 336 . 3 1 1 A 32 32 LYS CB C 28 33.269 33.512 -0.243 1
1 337 . 3 1 1 A 32 32 LYS N N 28 124.540 120.795 3.745 1
1 338 . 3 1 1 A 33 33 TYR H H 29 7.451 8.786 -1.335 1
1 339 . 3 1 1 A 33 33 TYR HA H 29 5.149 5.393 -0.244 1
1 346 . 3 1 1 A 33 33 TYR C C 29 173.730 174.949 -1.219 1
1 347 . 3 1 1 A 33 33 TYR CA C 29 57.198 56.137 1.061 1
1 348 . 3 1 1 A 33 33 TYR CB C 29 41.499 40.304 1.195 1
1 353 . 3 1 1 A 33 33 TYR N N 29 117.090 124.816 -7.726 1
1 354 . 3 1 1 A 34 34 THR H H 30 9.106 8.958 0.148 1
1 355 . 3 1 1 A 34 34 THR HA H 30 4.368 4.815 -0.447 1
1 360 . 3 1 1 A 34 34 THR C C 30 171.336 172.796 -1.460 1
1 361 . 3 1 1 A 34 34 THR CA C 30 62.096 61.926 0.170 1
1 362 . 3 1 1 A 34 34 THR CB C 30 70.603 69.624 0.979 1
1 364 . 3 1 1 A 34 34 THR N N 30 119.343 116.955 2.388 1
1 365 . 3 1 1 A 35 35 ASP H H 31 8.772 8.956 -0.184 1
1 366 . 3 1 1 A 35 35 ASP HA H 31 5.283 4.947 0.336 1
1 369 . 3 1 1 A 35 35 ASP C C 31 175.245 174.628 0.617 1
1 370 . 3 1 1 A 35 35 ASP CA C 31 52.549 53.594 -1.045 1
1 371 . 3 1 1 A 35 35 ASP CB C 31 42.286 41.393 0.893 1
1 372 . 3 1 1 A 35 35 ASP N N 31 129.184 128.097 1.087 1
1 373 . 3 1 1 A 36 36 ILE H H 32 9.283 8.967 0.316 1
1 374 . 3 1 1 A 36 36 ILE HA H 32 4.081 4.399 -0.318 1
1 384 . 3 1 1 A 36 36 ILE C C 32 175.854 175.673 0.181 1
1 385 . 3 1 1 A 36 36 ILE CA C 32 60.226 60.424 -0.198 1
1 386 . 3 1 1 A 36 36 ILE CB C 32 39.998 38.143 1.855 1
1 388 . 3 1 1 A 36 36 ILE N N 32 129.240 127.386 1.854 1
1 389 . 3 1 1 A 37 37 ASP H H 33 8.298 8.781 -0.483 1
1 390 . 3 1 1 A 37 37 ASP HA H 33 4.648 4.570 0.078 1
1 393 . 3 1 1 A 37 37 ASP CA C 33 54.101 54.865 -0.764 1
1 394 . 3 1 1 A 37 37 ASP CB C 33 40.536 41.345 -0.809 1
1 395 . 3 1 1 A 37 37 ASP N N 33 125.570 127.904 -2.334 1
1 396 . 3 1 1 A 38 38 ALA H H 34 9.840 8.704 1.136 1
1 397 . 3 1 1 A 38 38 ALA HA H 34 4.620 4.075 0.545 1
1 401 . 3 1 1 A 38 38 ALA C C 34 175.185 178.542 -3.357 1
1 402 . 3 1 1 A 38 38 ALA CA C 34 51.239 54.782 -3.543 1
1 403 . 3 1 1 A 38 38 ALA CB C 34 20.627 18.522 2.105 1
1 404 . 3 1 1 A 38 38 ALA N N 34 134.980 124.494 10.486 1
1 405 . 3 1 1 A 39 39 SER H H 35 8.679 7.590 1.089 1
1 406 . 3 1 1 A 39 39 SER HA H 35 4.189 4.252 -0.063 1
1 409 . 3 1 1 A 39 39 SER C C 35 175.713 176.322 -0.609 1
1 410 . 3 1 1 A 39 39 SER CA C 35 60.956 60.491 0.465 1
1 411 . 3 1 1 A 39 39 SER CB C 35 64.425 63.468 0.957 1
1 412 . 3 1 1 A 39 39 SER N N 35 111.865 115.438 -3.573 1
1 413 . 3 1 1 A 40 40 THR H H 36 8.438 8.600 -0.162 1
1 414 . 3 1 1 A 40 40 THR HA H 36 4.672 4.081 0.591 1
1 419 . 3 1 1 A 40 40 THR CA C 36 59.859 64.893 -5.034 1
1 421 . 3 1 1 A 40 40 THR N N 36 114.335 119.813 -5.478 1
1 422 . 3 1 1 A 41 41 SER C C 37 174.129 175.515 -1.386 1
1 423 . 3 1 1 A 41 41 SER CA C 37 60.964 62.342 -1.378 1
1 424 . 3 1 1 A 41 41 SER CB C 37 63.605 62.771 0.834 1
1 425 . 3 1 1 A 42 42 LEU H H 38 8.643 7.476 1.167 1
1 426 . 3 1 1 A 42 42 LEU HA H 38 4.679 4.691 -0.012 1
1 436 . 3 1 1 A 42 42 LEU C C 38 176.347 178.052 -1.705 1
1 437 . 3 1 1 A 42 42 LEU CA C 38 54.842 55.453 -0.611 1
1 438 . 3 1 1 A 42 42 LEU CB C 38 41.117 44.366 -3.249 1
1 439 . 3 1 1 A 42 42 LEU N N 38 121.245 119.905 1.340 1
1 440 . 3 1 1 A 43 43 ARG H H 39 7.583 8.528 -0.945 1
1 441 . 3 1 1 A 43 43 ARG HA H 39 4.173 3.956 0.217 1
1 448 . 3 1 1 A 43 43 ARG C C 39 175.925 178.301 -2.376 1
1 449 . 3 1 1 A 43 43 ARG CA C 39 60.907 59.555 1.352 1
1 450 . 3 1 1 A 43 43 ARG N N 39 123.341 120.115 3.226 1
1 451 . 3 1 1 A 44 44 GLN H H 40 8.203 8.025 0.178 1
1 452 . 3 1 1 A 44 44 GLN HA H 40 3.974 3.968 0.006 1
1 459 . 3 1 1 A 44 44 GLN C C 40 175.608 178.226 -2.618 1
1 460 . 3 1 1 A 44 44 GLN CA C 40 58.622 59.080 -0.458 1
1 461 . 3 1 1 A 44 44 GLN CB C 40 28.591 28.368 0.223 1
1 464 . 3 1 1 A 44 44 GLN N N 40 114.940 118.333 -3.393 1
1 466 . 3 1 1 A 45 45 GLU H H 41 7.616 8.005 -0.389 1
1 467 . 3 1 1 A 45 45 GLU HA H 41 3.947 4.049 -0.102 1
1 472 . 3 1 1 A 45 45 GLU CA C 41 59.009 59.476 -0.467 1
1 473 . 3 1 1 A 45 45 GLU CB C 41 30.110 29.132 0.978 1
1 474 . 3 1 1 A 45 45 GLU N N 41 120.916 119.755 1.161 1
1 475 . 3 1 1 A 46 46 MET H H 42 7.474 8.268 -0.794 1
1 476 . 3 1 1 A 46 46 MET HA H 42 4.778 4.160 0.618 1
1 483 . 3 1 1 A 46 46 MET C C 42 176.347 178.162 -1.815 1
1 484 . 3 1 1 A 46 46 MET CA C 42 59.567 58.201 1.366 1
1 485 . 3 1 1 A 46 46 MET CB C 42 30.294 33.604 -3.310 1
1 487 . 3 1 1 A 46 46 MET N N 42 118.736 119.448 -0.712 1
1 488 . 3 1 1 A 47 47 VAL H H 43 8.006 8.365 -0.359 1
1 489 . 3 1 1 A 47 47 VAL HA H 43 3.624 3.220 0.404 1
1 497 . 3 1 1 A 47 47 VAL C C 43 176.911 177.493 -0.582 1
1 498 . 3 1 1 A 47 47 VAL CA C 43 65.362 64.664 0.698 1
1 499 . 3 1 1 A 47 47 VAL CB C 43 31.859 30.625 1.234 1
1 501 . 3 1 1 A 47 47 VAL N N 43 116.804 118.956 -2.152 1
1 502 . 3 1 1 A 48 48 GLN H H 44 7.935 8.260 -0.325 1
1 503 . 3 1 1 A 48 48 GLN HA H 44 3.972 3.982 -0.010 1
1 510 . 3 1 1 A 48 48 GLN C C 44 178.636 178.251 0.385 1
1 511 . 3 1 1 A 48 48 GLN CA C 44 58.472 58.462 0.010 1
1 512 . 3 1 1 A 48 48 GLN CB C 44 30.542 27.898 2.644 1
1 513 . 3 1 1 A 48 48 GLN N N 44 117.704 119.580 -1.876 1
1 515 . 3 1 1 A 49 49 ARG H H 45 8.100 7.798 0.302 1
1 516 . 3 1 1 A 49 49 ARG HA H 45 3.906 4.072 -0.166 1
1 521 . 3 1 1 A 49 49 ARG CA C 45 59.397 58.777 0.620 1
1 522 . 3 1 1 A 49 49 ARG CB C 45 29.993 29.710 0.283 1
1 523 . 3 1 1 A 49 49 ARG N N 45 120.984 120.106 0.878 1
1 524 . 3 1 1 A 50 50 ALA H H 46 8.279 7.538 0.741 1
1 525 . 3 1 1 A 50 50 ALA HA H 46 3.782 4.232 -0.450 1
1 529 . 3 1 1 A 50 50 ALA C C 46 178.073 178.984 -0.911 1
1 530 . 3 1 1 A 50 50 ALA CA C 46 51.408 53.967 -2.559 1
1 531 . 3 1 1 A 50 50 ALA CB C 46 18.883 18.808 0.075 1
1 532 . 3 1 1 A 50 50 ALA N N 46 118.254 121.712 -3.458 1
1 533 . 3 1 1 A 51 51 ASN H H 47 7.706 8.160 -0.454 1
1 534 . 3 1 1 A 51 51 ASN HA H 47 4.420 5.070 -0.650 1
1 539 . 3 1 1 A 51 51 ASN C C 47 174.974 175.566 -0.592 1
1 540 . 3 1 1 A 51 51 ASN CA C 47 54.303 54.557 -0.254 1
1 541 . 3 1 1 A 51 51 ASN CB C 47 37.804 40.320 -2.516 1
1 543 . 3 1 1 A 51 51 ASN N N 47 115.277 114.621 0.656 1
1 545 . 3 1 1 A 52 52 GLY H H 48 8.702 7.991 0.711 1
1 546 . 3 1 1 A 52 52 GLY HA2 H 48 4.267 4.047 0.220 1
1 547 . 3 1 1 A 52 52 GLY HA3 H 48 3.379 4.056 -0.677 1
1 548 . 3 1 1 A 52 52 GLY CA C 48 45.176 45.413 -0.237 1
1 549 . 3 1 1 A 52 52 GLY N N 48 104.035 107.695 -3.660 1
1 550 . 3 1 1 A 53 53 ARG H H 49 7.116 7.807 -0.691 1
1 551 . 3 1 1 A 53 53 ARG HA H 49 4.144 4.625 -0.481 1
1 558 . 3 1 1 A 53 53 ARG C C 49 176.101 173.741 2.360 1
1 559 . 3 1 1 A 53 53 ARG CA C 49 57.285 55.933 1.352 1
1 560 . 3 1 1 A 53 53 ARG N N 49 121.384 121.048 0.336 1
1 561 . 3 1 1 A 54 54 ASN H H 50 7.958 8.906 -0.948 1
1 562 . 3 1 1 A 54 54 ASN HA H 50 4.589 5.464 -0.875 1
1 567 . 3 1 1 A 54 54 ASN CA C 50 51.568 52.403 -0.835 1
1 568 . 3 1 1 A 54 54 ASN CB C 50 38.018 42.863 -4.845 1
1 570 . 3 1 1 A 54 54 ASN N N 50 116.546 124.657 -8.111 1
1 572 . 3 1 1 A 55 55 THR H H 51 6.818 8.763 -1.945 1
1 573 . 3 1 1 A 55 55 THR HA H 51 4.283 4.552 -0.269 1
1 578 . 3 1 1 A 55 55 THR C C 51 172.509 172.463 0.046 1
1 579 . 3 1 1 A 55 55 THR CA C 51 59.829 61.140 -1.311 1
1 580 . 3 1 1 A 55 55 THR CB C 51 70.400 69.845 0.555 1
1 582 . 3 1 1 A 55 55 THR N N 51 108.070 117.761 -9.691 1
1 583 . 3 1 1 A 56 56 PHE H H 52 8.444 7.556 0.888 1
1 584 . 3 1 1 A 56 56 PHE HA H 52 4.730 4.902 -0.172 1
1 592 . 3 1 1 A 56 56 PHE CA C 52 55.529 55.802 -0.273 1
1 593 . 3 1 1 A 56 56 PHE N N 52 116.926 122.183 -5.257 1
1 594 . 3 1 1 A 57 57 PRO CA C 53 62.827 63.074 -0.247 1
1 595 . 3 1 1 A 57 57 PRO CB C 53 35.258 32.682 2.576 1
1 596 . 3 1 1 A 58 58 GLN H H 54 8.070 8.466 -0.396 1
1 597 . 3 1 1 A 58 58 GLN HA H 54 4.853 4.970 -0.117 1
1 604 . 3 1 1 A 58 58 GLN C C 54 175.291 172.975 2.316 1
1 605 . 3 1 1 A 58 58 GLN CA C 54 55.071 55.124 -0.053 1
1 606 . 3 1 1 A 58 58 GLN CB C 54 32.237 31.220 1.017 1
1 607 . 3 1 1 A 58 58 GLN N N 54 113.697 116.837 -3.140 1
1 609 . 3 1 1 A 59 59 ILE H H 55 8.753 8.730 0.023 1
1 610 . 3 1 1 A 59 59 ILE HA H 55 5.089 4.774 0.315 1
1 620 . 3 1 1 A 59 59 ILE C C 55 174.164 174.998 -0.834 1
1 621 . 3 1 1 A 59 59 ILE CA C 55 61.194 60.476 0.718 1
1 622 . 3 1 1 A 59 59 ILE CB C 55 40.657 39.467 1.190 1
1 625 . 3 1 1 A 59 59 ILE N N 55 122.202 121.629 0.573 1
1 626 . 3 1 1 A 60 60 PHE H H 56 9.564 9.557 0.007 1
1 627 . 3 1 1 A 60 60 PHE HA H 56 5.390 5.355 0.035 1
1 635 . 3 1 1 A 60 60 PHE C C 56 174.305 174.838 -0.533 1
1 636 . 3 1 1 A 60 60 PHE CA C 56 56.614 57.004 -0.390 1
1 637 . 3 1 1 A 60 60 PHE CB C 56 42.488 42.491 -0.003 1
1 638 . 3 1 1 A 60 60 PHE N N 56 127.604 127.940 -0.336 1
1 639 . 3 1 1 A 61 61 ILE H H 57 9.231 9.123 0.108 1
1 640 . 3 1 1 A 61 61 ILE HA H 57 4.483 4.582 -0.099 1
1 650 . 3 1 1 A 61 61 ILE C C 57 176.418 176.269 0.149 1
1 651 . 3 1 1 A 61 61 ILE CA C 57 60.800 60.170 0.630 1
1 652 . 3 1 1 A 61 61 ILE CB C 57 39.431 39.654 -0.223 1
1 656 . 3 1 1 A 61 61 ILE N N 57 121.606 125.523 -3.917 1
1 657 . 3 1 1 A 62 62 GLY H H 58 9.118 9.128 -0.010 1
1 658 . 3 1 1 A 62 62 GLY HA2 H 58 4.092 3.941 0.151 1
1 659 . 3 1 1 A 62 62 GLY HA3 H 58 3.951 3.955 -0.004 1
1 660 . 3 1 1 A 62 62 GLY C C 58 174.058 174.499 -0.441 1
1 661 . 3 1 1 A 62 62 GLY CA C 58 47.516 47.491 0.025 1
1 662 . 3 1 1 A 62 62 GLY N N 58 118.483 118.867 -0.384 1
1 663 . 3 1 1 A 63 63 ASP H H 59 8.944 8.799 0.145 1
1 664 . 3 1 1 A 63 63 ASP HA H 59 4.762 4.997 -0.235 1
1 667 . 3 1 1 A 63 63 ASP C C 59 175.220 174.516 0.704 1
1 668 . 3 1 1 A 63 63 ASP CA C 59 54.467 54.016 0.451 1
1 669 . 3 1 1 A 63 63 ASP CB C 59 40.913 41.977 -1.064 1
1 670 . 3 1 1 A 63 63 ASP N N 59 125.981 126.313 -0.332 1
1 671 . 3 1 1 A 64 64 TYR H H 60 8.332 7.839 0.493 1
1 672 . 3 1 1 A 64 64 TYR HA H 60 4.600 4.796 -0.196 1
1 679 . 3 1 1 A 64 64 TYR C C 60 174.023 173.482 0.541 1
1 680 . 3 1 1 A 64 64 TYR CA C 60 57.761 57.501 0.260 1
1 681 . 3 1 1 A 64 64 TYR CB C 60 33.473 41.353 -7.880 1
1 682 . 3 1 1 A 64 64 TYR N N 60 122.443 120.766 1.677 1
1 683 . 3 1 1 A 65 65 HIS H H 61 8.625 7.894 0.731 1
1 684 . 3 1 1 A 65 65 HIS HA H 61 4.200 4.135 0.065 1
1 689 . 3 1 1 A 65 65 HIS C C 61 171.910 174.871 -2.961 1
1 690 . 3 1 1 A 65 65 HIS CA C 61 53.347 53.725 -0.378 1
1 691 . 3 1 1 A 65 65 HIS CB C 61 28.830 30.193 -1.363 1
1 692 . 3 1 1 A 65 65 HIS N N 61 129.863 123.266 6.597 1
1 693 . 3 1 1 A 66 66 VAL H H 62 8.059 8.625 -0.566 1
1 694 . 3 1 1 A 66 66 VAL HA H 62 3.316 3.433 -0.117 1
1 702 . 3 1 1 A 66 66 VAL CA C 62 64.194 64.659 -0.465 1
1 703 . 3 1 1 A 66 66 VAL CB C 62 32.770 32.108 0.662 1
1 705 . 3 1 1 A 66 66 VAL N N 62 129.219 122.344 6.875 1
1 706 . 3 1 1 A 67 67 GLY H H 63 6.327 7.728 -1.401 1
1 707 . 3 1 1 A 67 67 GLY HA2 H 63 4.503 4.004 0.499 1
1 708 . 3 1 1 A 67 67 GLY HA3 H 63 2.870 4.016 -1.146 1
1 709 . 3 1 1 A 67 67 GLY C C 63 172.156 174.735 -2.579 1
1 710 . 3 1 1 A 67 67 GLY CA C 63 43.551 45.301 -1.750 1
1 711 . 3 1 1 A 67 67 GLY N N 63 102.548 107.605 -5.057 1
1 712 . 3 1 1 A 68 68 GLY H H 64 9.095 8.131 0.964 1
1 713 . 3 1 1 A 68 68 GLY HA2 H 64 4.863 4.099 0.764 1
1 714 . 3 1 1 A 68 68 GLY HA3 H 64 3.821 4.114 -0.293 1
1 715 . 3 1 1 A 68 68 GLY C C 64 172.509 174.926 -2.417 1
1 716 . 3 1 1 A 68 68 GLY CA C 64 43.870 44.271 -0.401 1
1 717 . 3 1 1 A 68 68 GLY N N 64 110.080 107.863 2.217 1
1 718 . 3 1 1 A 69 69 CYS H H 65 8.398 8.971 -0.573 1
1 719 . 3 1 1 A 69 69 CYS HA H 65 3.846 4.158 -0.312 1
1 722 . 3 1 1 A 69 69 CYS C C 65 173.741 176.709 -2.968 1
1 723 . 3 1 1 A 69 69 CYS CA C 65 62.944 62.947 -0.003 1
1 724 . 3 1 1 A 69 69 CYS CB C 65 45.022 27.899 17.123 1
1 725 . 3 1 1 A 69 69 CYS N N 65 118.292 119.343 -1.051 1
1 726 . 3 1 1 A 70 70 ASP H H 66 9.110 8.073 1.037 1
1 727 . 3 1 1 A 70 70 ASP HA H 66 5.745 4.353 1.392 1
1 730 . 3 1 1 A 70 70 ASP C C 66 178.777 178.272 0.505 1
1 731 . 3 1 1 A 70 70 ASP CA C 66 57.437 57.123 0.314 1
1 732 . 3 1 1 A 70 70 ASP CB C 66 40.016 40.259 -0.243 1
1 733 . 3 1 1 A 70 70 ASP N N 66 123.178 121.423 1.755 1
1 734 . 3 1 1 A 71 71 ASP H H 67 7.301 8.340 -1.039 1
1 735 . 3 1 1 A 71 71 ASP HA H 67 4.362 4.314 0.048 1
1 738 . 3 1 1 A 71 71 ASP C C 67 177.474 178.366 -0.892 1
1 739 . 3 1 1 A 71 71 ASP CA C 67 57.381 57.845 -0.464 1
1 740 . 3 1 1 A 71 71 ASP CB C 67 41.503 41.821 -0.318 1
1 741 . 3 1 1 A 71 71 ASP N N 67 119.848 119.263 0.585 1
1 742 . 3 1 1 A 72 72 LEU H H 68 7.805 7.595 0.210 1
1 743 . 3 1 1 A 72 72 LEU HA H 68 3.822 4.005 -0.183 1
1 753 . 3 1 1 A 72 72 LEU C C 68 177.509 178.629 -1.120 1
1 754 . 3 1 1 A 72 72 LEU CA C 68 58.446 57.999 0.447 1
1 755 . 3 1 1 A 72 72 LEU CB C 68 42.524 41.197 1.327 1
1 757 . 3 1 1 A 72 72 LEU N N 68 121.720 118.355 3.365 1
1 758 . 3 1 1 A 73 73 TYR H H 69 8.229 8.422 -0.193 1
1 759 . 3 1 1 A 73 73 TYR HA H 69 3.772 4.356 -0.584 1
1 766 . 3 1 1 A 73 73 TYR C C 69 177.721 178.366 -0.645 1
1 767 . 3 1 1 A 73 73 TYR CA C 69 62.867 60.571 2.296 1
1 768 . 3 1 1 A 73 73 TYR CB C 69 38.215 37.773 0.442 1
1 769 . 3 1 1 A 73 73 TYR N N 69 116.501 120.188 -3.687 1
1 770 . 3 1 1 A 74 74 ALA H H 70 8.275 8.566 -0.291 1
1 771 . 3 1 1 A 74 74 ALA HA H 70 4.286 4.056 0.230 1
1 775 . 3 1 1 A 74 74 ALA C C 70 180.045 180.048 -0.003 1
1 776 . 3 1 1 A 74 74 ALA CA C 70 55.701 55.263 0.438 1
1 777 . 3 1 1 A 74 74 ALA CB C 70 17.944 18.092 -0.148 1
1 778 . 3 1 1 A 74 74 ALA N N 70 122.883 121.840 1.043 1
1 779 . 3 1 1 A 75 75 LEU H H 71 7.558 8.216 -0.658 1
1 780 . 3 1 1 A 75 75 LEU HA H 71 3.975 3.860 0.115 1
1 790 . 3 1 1 A 75 75 LEU C C 71 179.024 178.769 0.255 1
1 791 . 3 1 1 A 75 75 LEU CA C 71 57.994 58.225 -0.231 1
1 792 . 3 1 1 A 75 75 LEU CB C 71 42.836 41.646 1.190 1
1 793 . 3 1 1 A 75 75 LEU N N 71 117.133 119.457 -2.324 1
1 794 . 3 1 1 A 76 76 GLU H H 72 7.587 8.632 -1.045 1
1 795 . 3 1 1 A 76 76 GLU HA H 72 4.473 3.997 0.476 1
1 800 . 3 1 1 A 76 76 GLU C C 72 179.270 178.667 0.603 1
1 801 . 3 1 1 A 76 76 GLU CA C 72 58.296 58.578 -0.282 1
1 802 . 3 1 1 A 76 76 GLU CB C 72 28.457 28.608 -0.151 1
1 803 . 3 1 1 A 76 76 GLU N N 72 121.576 117.648 3.928 1
1 804 . 3 1 1 A 77 77 ASN H H 73 8.863 7.709 1.154 1
1 805 . 3 1 1 A 77 77 ASN HA H 73 4.511 4.515 -0.004 1
1 810 . 3 1 1 A 77 77 ASN C C 73 176.664 177.021 -0.357 1
1 811 . 3 1 1 A 77 77 ASN CA C 73 55.944 55.441 0.503 1
1 812 . 3 1 1 A 77 77 ASN CB C 73 38.660 38.602 0.058 1
1 814 . 3 1 1 A 77 77 ASN N N 73 120.232 118.829 1.403 1
1 816 . 3 1 1 A 78 78 LYS H H 74 7.617 7.608 0.009 1
1 817 . 3 1 1 A 78 78 LYS HA H 74 4.426 4.297 0.129 1
1 826 . 3 1 1 A 78 78 LYS C C 74 176.312 176.468 -0.156 1
1 827 . 3 1 1 A 78 78 LYS CA C 74 55.863 56.256 -0.393 1
1 828 . 3 1 1 A 78 78 LYS CB C 74 33.482 32.953 0.529 1
1 829 . 3 1 1 A 78 78 LYS N N 74 115.597 116.801 -1.204 1
1 830 . 3 1 1 A 79 79 GLY H H 75 8.023 7.633 0.390 1
1 831 . 3 1 1 A 79 79 GLY HA2 H 75 4.060 3.988 0.072 1
1 832 . 3 1 1 A 79 79 GLY HA3 H 75 4.060 3.989 0.071 1
1 833 . 3 1 1 A 79 79 GLY C C 75 175.009 175.733 -0.724 1
1 834 . 3 1 1 A 79 79 GLY CA C 75 46.234 45.064 1.170 1
1 835 . 3 1 1 A 79 79 GLY N N 75 109.073 105.652 3.421 1
1 836 . 3 1 1 A 80 80 LYS H H 76 8.091 8.473 -0.382 1
1 837 . 3 1 1 A 80 80 LYS HA H 76 4.422 4.346 0.076 1
1 846 . 3 1 1 A 80 80 LYS C C 76 173.037 177.260 -4.223 1
1 847 . 3 1 1 A 80 80 LYS CA C 76 55.679 56.649 -0.970 1
1 848 . 3 1 1 A 80 80 LYS CB C 76 35.038 32.580 2.458 1
1 849 . 3 1 1 A 80 80 LYS N N 76 116.888 120.321 -3.433 1
1 850 . 3 1 1 A 81 81 LEU H H 77 7.411 7.622 -0.211 1
1 851 . 3 1 1 A 81 81 LEU HA H 77 4.003 3.925 0.078 1
1 861 . 3 1 1 A 81 81 LEU C C 77 177.333 177.946 -0.613 1
1 862 . 3 1 1 A 81 81 LEU CA C 77 57.512 57.876 -0.364 1
1 863 . 3 1 1 A 81 81 LEU CB C 77 40.676 41.350 -0.674 1
1 864 . 3 1 1 A 81 81 LEU N N 77 122.079 122.038 0.041 1
1 865 . 3 1 1 A 82 82 ASP H H 78 8.613 8.490 0.123 1
1 866 . 3 1 1 A 82 82 ASP HA H 78 4.232 4.282 -0.050 1
1 869 . 3 1 1 A 82 82 ASP C C 78 178.354 178.662 -0.308 1
1 870 . 3 1 1 A 82 82 ASP CA C 78 58.438 57.756 0.682 1
1 871 . 3 1 1 A 82 82 ASP CB C 78 39.890 40.312 -0.422 1
1 872 . 3 1 1 A 82 82 ASP N N 78 118.813 118.568 0.245 1
1 873 . 3 1 1 A 83 83 SER H H 79 7.886 7.845 0.041 1
1 874 . 3 1 1 A 83 83 SER HA H 79 4.164 4.236 -0.072 1
1 877 . 3 1 1 A 83 83 SER C C 79 176.171 177.509 -1.338 1
1 878 . 3 1 1 A 83 83 SER CA C 79 61.285 61.293 -0.008 1
1 879 . 3 1 1 A 83 83 SER CB C 79 62.632 62.795 -0.163 1
1 880 . 3 1 1 A 83 83 SER N N 79 113.338 114.354 -1.016 1
1 881 . 3 1 1 A 84 84 LEU H H 80 7.354 8.088 -0.734 1
1 882 . 3 1 1 A 84 84 LEU HA H 80 4.152 3.943 0.209 1
1 892 . 3 1 1 A 84 84 LEU C C 80 173.671 179.158 -5.487 1
1 893 . 3 1 1 A 84 84 LEU CA C 80 56.841 58.217 -1.376 1
1 894 . 3 1 1 A 84 84 LEU CB C 80 42.682 42.153 0.529 1
1 897 . 3 1 1 A 84 84 LEU N N 80 121.453 122.087 -0.634 1
1 898 . 3 1 1 A 85 85 LEU H H 81 7.655 8.527 -0.872 1
1 899 . 3 1 1 A 85 85 LEU HA H 81 4.113 3.687 0.426 1
1 909 . 3 1 1 A 85 85 LEU C C 81 177.333 179.031 -1.698 1
1 910 . 3 1 1 A 85 85 LEU CA C 81 55.748 58.181 -2.433 1
1 911 . 3 1 1 A 85 85 LEU CB C 81 41.707 41.203 0.504 1
1 914 . 3 1 1 A 85 85 LEU N N 81 115.497 118.181 -2.684 1
1 915 . 3 1 1 A 86 86 GLN H H 82 7.414 8.233 -0.819 1
1 916 . 3 1 1 A 86 86 GLN HA H 82 4.177 4.259 -0.082 1
1 923 . 3 1 1 A 86 86 GLN C C 82 175.537 177.251 -1.714 1
1 924 . 3 1 1 A 86 86 GLN CA C 82 56.986 58.462 -1.476 1
1 925 . 3 1 1 A 86 86 GLN CB C 82 29.187 28.923 0.264 1
1 928 . 3 1 1 A 86 86 GLN N N 82 117.020 117.956 -0.936 1
1 930 . 3 1 1 A 87 87 ASP H H 83 8.092 7.833 0.259 1
1 931 . 3 1 1 A 87 87 ASP HA H 83 4.672 4.577 0.095 1
1 934 . 3 1 1 A 87 87 ASP C C 83 177.263 178.561 -1.298 1
1 935 . 3 1 1 A 87 87 ASP CA C 83 54.394 56.439 -2.045 1
1 936 . 3 1 1 A 87 87 ASP CB C 83 40.722 41.133 -0.411 1
1 937 . 3 1 1 A 87 87 ASP N N 83 119.072 118.617 0.455 1
1 938 . 3 1 1 A 88 88 VAL H H 84 7.692 8.414 -0.722 1
1 939 . 3 1 1 A 88 88 VAL HA H 84 4.175 3.877 0.298 1
1 947 . 3 1 1 A 88 88 VAL C C 84 174.164 177.910 -3.746 1
1 948 . 3 1 1 A 88 88 VAL CA C 84 62.165 65.391 -3.226 1
1 949 . 3 1 1 A 88 88 VAL CB C 84 32.284 31.336 0.948 1
1 952 . 3 1 1 A 88 88 VAL N N 84 118.778 115.910 2.868 1
1 1 . 4 1 1 A 2 2 PRO C C -2 177.005 176.296 0.709 1
1 2 . 4 1 1 A 2 2 PRO CA C -2 63.481 62.994 0.487 1
1 3 . 4 1 1 A 2 2 PRO CB C -2 32.244 33.144 -0.900 1
1 4 . 4 1 1 A 3 3 GLY H H -1 8.665 8.656 0.009 1
1 5 . 4 1 1 A 3 3 GLY HA2 H -1 3.985 4.208 -0.223 1
1 6 . 4 1 1 A 3 3 GLY HA3 H -1 3.985 4.217 -0.232 1
1 7 . 4 1 1 A 3 3 GLY C C -1 173.706 172.727 0.979 1
1 8 . 4 1 1 A 3 3 GLY CA C -1 45.291 45.576 -0.285 1
1 9 . 4 1 1 A 3 3 GLY N N -1 109.788 109.746 0.042 1
1 10 . 4 1 1 A 4 4 SER H H 0 8.190 8.703 -0.513 1
1 11 . 4 1 1 A 4 4 SER HA H 0 4.477 4.954 -0.477 1
1 14 . 4 1 1 A 4 4 SER C C 0 175.738 172.390 3.348 1
1 15 . 4 1 1 A 4 4 SER CA C 0 58.322 57.758 0.564 1
1 16 . 4 1 1 A 4 4 SER CB C 0 63.927 67.074 -3.147 1
1 17 . 4 1 1 A 4 4 SER N N 0 115.613 116.288 -0.675 1
1 18 . 4 1 1 A 5 5 MET H H 1 8.458 8.534 -0.076 1
1 19 . 4 1 1 A 5 5 MET HA H 1 4.320 5.430 -1.110 1
1 27 . 4 1 1 A 5 5 MET C C 1 173.977 174.988 -1.011 1
1 28 . 4 1 1 A 5 5 MET CA C 1 56.011 53.959 2.052 1
1 29 . 4 1 1 A 5 5 MET CB C 1 33.797 35.374 -1.577 1
1 30 . 4 1 1 A 5 5 MET N N 1 122.334 122.001 0.333 1
1 31 . 4 1 1 A 6 6 LYS H H 2 8.445 8.932 -0.487 1
1 32 . 4 1 1 A 6 6 LYS HA H 2 4.566 5.011 -0.445 1
1 39 . 4 1 1 A 6 6 LYS C C 2 174.575 175.262 -0.687 1
1 40 . 4 1 1 A 6 6 LYS CA C 2 55.887 54.420 1.467 1
1 41 . 4 1 1 A 6 6 LYS CB C 2 33.848 36.994 -3.146 1
1 42 . 4 1 1 A 6 6 LYS N N 2 122.229 122.851 -0.622 1
1 43 . 4 1 1 A 7 7 GLU H H 3 8.324 8.967 -0.643 1
1 44 . 4 1 1 A 7 7 GLU HA H 3 4.440 5.061 -0.621 1
1 49 . 4 1 1 A 7 7 GLU C C 3 175.491 173.877 1.614 1
1 50 . 4 1 1 A 7 7 GLU CA C 3 55.680 54.547 1.133 1
1 51 . 4 1 1 A 7 7 GLU CB C 3 31.513 33.544 -2.031 1
1 52 . 4 1 1 A 7 7 GLU N N 3 121.539 117.811 3.728 1
1 53 . 4 1 1 A 8 8 ILE H H 4 9.014 8.983 0.031 1
1 54 . 4 1 1 A 8 8 ILE HA H 4 5.025 5.128 -0.103 1
1 64 . 4 1 1 A 8 8 ILE C C 4 174.199 174.035 0.164 1
1 65 . 4 1 1 A 8 8 ILE CA C 4 60.927 59.705 1.222 1
1 66 . 4 1 1 A 8 8 ILE CB C 4 38.759 41.064 -2.305 1
1 69 . 4 1 1 A 8 8 ILE N N 4 127.255 123.874 3.381 1
1 70 . 4 1 1 A 9 9 ILE H H 5 9.104 9.262 -0.158 1
1 71 . 4 1 1 A 9 9 ILE HA H 5 4.900 4.999 -0.099 1
1 81 . 4 1 1 A 9 9 ILE C C 5 173.906 175.193 -1.287 1
1 82 . 4 1 1 A 9 9 ILE CA C 5 59.727 59.469 0.258 1
1 83 . 4 1 1 A 9 9 ILE CB C 5 41.627 42.331 -0.704 1
1 87 . 4 1 1 A 9 9 ILE N N 5 128.326 128.685 -0.359 1
1 88 . 4 1 1 A 10 10 LEU H H 6 8.891 9.037 -0.146 1
1 89 . 4 1 1 A 10 10 LEU HA H 6 5.157 5.347 -0.190 1
1 96 . 4 1 1 A 10 10 LEU CA C 6 54.076 53.391 0.685 1
1 97 . 4 1 1 A 10 10 LEU CB C 6 44.892 44.515 0.377 1
1 100 . 4 1 1 A 10 10 LEU N N 6 125.779 125.556 0.223 1
1 101 . 4 1 1 A 11 11 TYR H H 7 9.099 9.197 -0.098 1
1 102 . 4 1 1 A 11 11 TYR HA H 7 4.336 5.250 -0.914 1
1 109 . 4 1 1 A 11 11 TYR C C 7 177.041 175.492 1.549 1
1 110 . 4 1 1 A 11 11 TYR CA C 7 57.379 56.636 0.743 1
1 111 . 4 1 1 A 11 11 TYR CB C 7 40.345 39.531 0.814 1
1 112 . 4 1 1 A 12 12 THR H H 8 9.286 8.600 0.686 1
1 113 . 4 1 1 A 12 12 THR HA H 8 5.105 5.014 0.091 1
1 118 . 4 1 1 A 12 12 THR C C 8 172.005 173.172 -1.167 1
1 119 . 4 1 1 A 12 12 THR CA C 8 60.604 61.046 -0.442 1
1 120 . 4 1 1 A 12 12 THR CB C 8 73.108 70.718 2.390 1
1 122 . 4 1 1 A 12 12 THR N N 8 111.938 114.560 -2.622 1
1 123 . 4 1 1 A 13 13 ARG H H 9 7.513 8.352 -0.839 1
1 124 . 4 1 1 A 13 13 ARG HA H 9 4.826 4.806 0.020 1
1 131 . 4 1 1 A 13 13 ARG CA C 9 52.836 54.292 -1.456 1
1 132 . 4 1 1 A 13 13 ARG CB C 9 31.436 30.910 0.526 1
1 133 . 4 1 1 A 13 13 ARG N N 9 114.036 121.264 -7.228 1
1 134 . 4 1 1 A 14 14 PRO HA H 10 4.294 4.385 -0.091 1
1 141 . 4 1 1 A 14 14 PRO C C 10 176.477 176.813 -0.336 1
1 142 . 4 1 1 A 14 14 PRO CA C 10 63.464 63.089 0.375 1
1 143 . 4 1 1 A 14 14 PRO CB C 10 32.615 32.505 0.110 1
1 144 . 4 1 1 A 15 15 ASN H H 11 8.987 8.956 0.031 1
1 145 . 4 1 1 A 15 15 ASN HA H 11 4.240 4.262 -0.022 1
1 150 . 4 1 1 A 15 15 ASN C C 11 176.266 174.136 2.130 1
1 151 . 4 1 1 A 15 15 ASN CA C 11 54.464 54.800 -0.336 1
1 152 . 4 1 1 A 15 15 ASN CB C 11 37.500 37.236 0.264 1
1 154 . 4 1 1 A 15 15 ASN N N 11 115.463 114.226 1.237 1
1 156 . 4 1 1 A 16 16 CYS H H 12 7.324 7.958 -0.634 1
1 157 . 4 1 1 A 16 16 CYS HA H 12 4.931 4.666 0.265 1
1 160 . 4 1 1 A 16 16 CYS CA C 12 56.277 57.367 -1.090 1
1 161 . 4 1 1 A 16 16 CYS N N 12 123.174 116.384 6.790 1
1 162 . 4 1 1 A 17 17 PRO C C 13 178.555 177.091 1.464 1
1 163 . 4 1 1 A 17 17 PRO CA C 13 64.409 64.154 0.255 1
1 164 . 4 1 1 A 17 17 PRO CB C 13 33.538 31.555 1.983 1
1 165 . 4 1 1 A 18 18 TYR H H 14 9.325 7.649 1.676 1
1 166 . 4 1 1 A 18 18 TYR HA H 14 4.404 4.254 0.150 1
1 173 . 4 1 1 A 18 18 TYR CA C 14 60.921 60.572 0.349 1
1 174 . 4 1 1 A 18 18 TYR N N 14 127.149 115.955 11.194 1
1 175 . 4 1 1 A 19 19 CYS H H 15 9.687 8.323 1.364 1
1 176 . 4 1 1 A 19 19 CYS HA H 15 4.725 4.171 0.554 1
1 177 . 4 1 1 A 19 19 CYS C C 15 174.998 177.263 -2.265 1
1 178 . 4 1 1 A 19 19 CYS CA C 15 64.573 62.202 2.371 1
1 179 . 4 1 1 A 19 19 CYS CB C 15 29.227 26.799 2.428 1
1 180 . 4 1 1 A 19 19 CYS N N 15 127.652 118.307 9.345 1
1 181 . 4 1 1 A 20 20 LYS H H 16 7.706 8.153 -0.447 1
1 182 . 4 1 1 A 20 20 LYS HA H 16 3.946 3.918 0.028 1
1 191 . 4 1 1 A 20 20 LYS C C 16 177.252 179.185 -1.933 1
1 192 . 4 1 1 A 20 20 LYS CA C 16 59.857 59.991 -0.134 1
1 193 . 4 1 1 A 20 20 LYS CB C 16 32.542 32.379 0.163 1
1 194 . 4 1 1 A 20 20 LYS N N 16 119.200 121.050 -1.850 1
1 195 . 4 1 1 A 21 21 ARG H H 17 7.839 7.732 0.107 1
1 196 . 4 1 1 A 21 21 ARG HA H 17 4.176 4.133 0.043 1
1 203 . 4 1 1 A 21 21 ARG C C 17 179.858 179.059 0.799 1
1 204 . 4 1 1 A 21 21 ARG CA C 17 59.647 59.209 0.438 1
1 205 . 4 1 1 A 21 21 ARG CB C 17 30.340 30.206 0.134 1
1 206 . 4 1 1 A 21 21 ARG N N 17 117.964 119.958 -1.994 1
1 207 . 4 1 1 A 22 22 ALA H H 18 8.084 8.219 -0.135 1
1 208 . 4 1 1 A 22 22 ALA HA H 18 4.168 4.145 0.023 1
1 212 . 4 1 1 A 22 22 ALA C C 18 177.322 179.536 -2.214 1
1 213 . 4 1 1 A 22 22 ALA CA C 18 55.859 55.339 0.520 1
1 214 . 4 1 1 A 22 22 ALA CB C 18 19.047 18.126 0.921 1
1 215 . 4 1 1 A 22 22 ALA N N 18 124.839 121.666 3.173 1
1 216 . 4 1 1 A 23 23 ARG H H 19 7.811 8.406 -0.595 1
1 217 . 4 1 1 A 23 23 ARG HA H 19 3.320 3.601 -0.281 1
1 224 . 4 1 1 A 23 23 ARG C C 19 177.217 178.070 -0.853 1
1 225 . 4 1 1 A 23 23 ARG CA C 19 60.780 58.783 1.997 1
1 226 . 4 1 1 A 23 23 ARG CB C 19 30.828 29.896 0.932 1
1 227 . 4 1 1 A 23 23 ARG N N 19 116.980 117.261 -0.281 1
1 228 . 4 1 1 A 24 24 ASP H H 20 8.710 8.110 0.600 1
1 229 . 4 1 1 A 24 24 ASP HA H 20 4.299 4.424 -0.125 1
1 232 . 4 1 1 A 24 24 ASP C C 20 178.625 178.328 0.297 1
1 233 . 4 1 1 A 24 24 ASP CA C 20 57.477 57.693 -0.216 1
1 234 . 4 1 1 A 24 24 ASP CB C 20 40.551 41.465 -0.914 1
1 235 . 4 1 1 A 24 24 ASP N N 20 116.717 120.024 -3.307 1
1 236 . 4 1 1 A 25 25 LEU H H 21 7.114 8.041 -0.927 1
1 237 . 4 1 1 A 25 25 LEU HA H 21 4.131 4.070 0.061 1
1 246 . 4 1 1 A 25 25 LEU C C 21 177.580 178.509 -0.929 1
1 247 . 4 1 1 A 25 25 LEU CA C 21 57.857 58.395 -0.538 1
1 248 . 4 1 1 A 25 25 LEU CB C 21 41.654 41.728 -0.074 1
1 251 . 4 1 1 A 25 25 LEU N N 21 119.808 120.601 -0.793 1
1 252 . 4 1 1 A 26 26 LEU H H 22 7.294 8.200 -0.906 1
1 253 . 4 1 1 A 26 26 LEU HA H 22 3.767 3.847 -0.080 1
1 262 . 4 1 1 A 26 26 LEU C C 22 178.696 178.514 0.182 1
1 263 . 4 1 1 A 26 26 LEU CA C 22 58.107 58.061 0.046 1
1 264 . 4 1 1 A 26 26 LEU CB C 22 40.750 41.742 -0.992 1
1 267 . 4 1 1 A 26 26 LEU N N 22 117.901 118.971 -1.070 1
1 268 . 4 1 1 A 27 27 ASP H H 23 9.446 8.616 0.830 1
1 269 . 4 1 1 A 27 27 ASP HA H 23 4.608 4.553 0.055 1
1 272 . 4 1 1 A 27 27 ASP C C 23 180.104 178.731 1.373 1
1 273 . 4 1 1 A 27 27 ASP CA C 23 57.406 57.358 0.048 1
1 274 . 4 1 1 A 27 27 ASP CB C 23 39.839 42.154 -2.315 1
1 275 . 4 1 1 A 27 27 ASP N N 23 119.946 118.685 1.261 1
1 276 . 4 1 1 A 28 28 LYS H H 24 7.915 7.835 0.080 1
1 277 . 4 1 1 A 28 28 LYS HA H 24 4.079 4.087 -0.008 1
1 286 . 4 1 1 A 28 28 LYS C C 24 178.414 179.239 -0.825 1
1 287 . 4 1 1 A 28 28 LYS CA C 24 59.295 59.224 0.071 1
1 288 . 4 1 1 A 28 28 LYS CB C 24 32.342 32.033 0.309 1
1 289 . 4 1 1 A 28 28 LYS N N 24 122.484 119.201 3.283 1
1 290 . 4 1 1 A 29 29 LYS H H 25 7.763 7.639 0.124 1
1 291 . 4 1 1 A 29 29 LYS HA H 25 4.195 4.185 0.010 1
1 300 . 4 1 1 A 29 29 LYS C C 25 176.583 177.028 -0.445 1
1 301 . 4 1 1 A 29 29 LYS CA C 25 56.122 56.737 -0.615 1
1 302 . 4 1 1 A 29 29 LYS CB C 25 32.771 32.831 -0.060 1
1 303 . 4 1 1 A 29 29 LYS N N 25 116.683 115.983 0.700 1
1 304 . 4 1 1 A 30 30 GLY H H 26 7.961 8.125 -0.164 1
1 305 . 4 1 1 A 30 30 GLY HA2 H 26 4.005 4.038 -0.033 1
1 306 . 4 1 1 A 30 30 GLY HA3 H 26 3.894 4.041 -0.147 1
1 307 . 4 1 1 A 30 30 GLY C C 26 174.223 173.963 0.260 1
1 308 . 4 1 1 A 30 30 GLY CA C 26 46.265 46.260 0.005 1
1 309 . 4 1 1 A 30 30 GLY N N 26 108.209 106.931 1.278 1
1 310 . 4 1 1 A 31 31 VAL H H 27 7.440 7.353 0.087 1
1 311 . 4 1 1 A 31 31 VAL HA H 27 4.355 4.813 -0.458 1
1 319 . 4 1 1 A 31 31 VAL C C 27 174.294 174.469 -0.175 1
1 320 . 4 1 1 A 31 31 VAL CA C 27 60.115 59.342 0.773 1
1 321 . 4 1 1 A 31 31 VAL CB C 27 33.737 35.563 -1.826 1
1 323 . 4 1 1 A 31 31 VAL N N 27 114.927 114.715 0.212 1
1 324 . 4 1 1 A 32 32 LYS H H 28 8.408 8.597 -0.189 1
1 325 . 4 1 1 A 32 32 LYS HA H 28 4.268 4.839 -0.571 1
1 334 . 4 1 1 A 32 32 LYS C C 28 175.385 175.612 -0.227 1
1 335 . 4 1 1 A 32 32 LYS CA C 28 55.441 54.982 0.459 1
1 336 . 4 1 1 A 32 32 LYS CB C 28 33.269 33.392 -0.123 1
1 337 . 4 1 1 A 32 32 LYS N N 28 124.540 121.401 3.139 1
1 338 . 4 1 1 A 33 33 TYR H H 29 7.451 8.815 -1.364 1
1 339 . 4 1 1 A 33 33 TYR HA H 29 5.149 5.667 -0.518 1
1 346 . 4 1 1 A 33 33 TYR C C 29 173.730 174.877 -1.147 1
1 347 . 4 1 1 A 33 33 TYR CA C 29 57.198 55.817 1.381 1
1 348 . 4 1 1 A 33 33 TYR CB C 29 41.499 41.194 0.305 1
1 353 . 4 1 1 A 33 33 TYR N N 29 117.090 123.841 -6.751 1
1 354 . 4 1 1 A 34 34 THR H H 30 9.106 9.000 0.106 1
1 355 . 4 1 1 A 34 34 THR HA H 30 4.368 4.876 -0.508 1
1 360 . 4 1 1 A 34 34 THR C C 30 171.336 173.333 -1.997 1
1 361 . 4 1 1 A 34 34 THR CA C 30 62.096 61.410 0.686 1
1 362 . 4 1 1 A 34 34 THR CB C 30 70.603 69.966 0.637 1
1 364 . 4 1 1 A 34 34 THR N N 30 119.343 116.946 2.397 1
1 365 . 4 1 1 A 35 35 ASP H H 31 8.772 8.933 -0.161 1
1 366 . 4 1 1 A 35 35 ASP HA H 31 5.283 5.115 0.168 1
1 369 . 4 1 1 A 35 35 ASP C C 31 175.245 175.376 -0.131 1
1 370 . 4 1 1 A 35 35 ASP CA C 31 52.549 53.186 -0.637 1
1 371 . 4 1 1 A 35 35 ASP CB C 31 42.286 41.973 0.313 1
1 372 . 4 1 1 A 35 35 ASP N N 31 129.184 126.614 2.570 1
1 373 . 4 1 1 A 36 36 ILE H H 32 9.283 9.181 0.102 1
1 374 . 4 1 1 A 36 36 ILE HA H 32 4.081 4.472 -0.391 1
1 384 . 4 1 1 A 36 36 ILE C C 32 175.854 175.083 0.771 1
1 385 . 4 1 1 A 36 36 ILE CA C 32 60.226 60.264 -0.038 1
1 386 . 4 1 1 A 36 36 ILE CB C 32 39.998 39.917 0.081 1
1 388 . 4 1 1 A 36 36 ILE N N 32 129.240 125.227 4.013 1
1 389 . 4 1 1 A 37 37 ASP H H 33 8.298 8.892 -0.594 1
1 390 . 4 1 1 A 37 37 ASP HA H 33 4.648 4.588 0.060 1
1 393 . 4 1 1 A 37 37 ASP CA C 33 54.101 54.786 -0.685 1
1 394 . 4 1 1 A 37 37 ASP CB C 33 40.536 41.105 -0.569 1
1 395 . 4 1 1 A 37 37 ASP N N 33 125.570 128.761 -3.191 1
1 396 . 4 1 1 A 38 38 ALA H H 34 9.840 8.709 1.131 1
1 397 . 4 1 1 A 38 38 ALA HA H 34 4.620 4.098 0.522 1
1 401 . 4 1 1 A 38 38 ALA C C 34 175.185 178.487 -3.302 1
1 402 . 4 1 1 A 38 38 ALA CA C 34 51.239 54.797 -3.558 1
1 403 . 4 1 1 A 38 38 ALA CB C 34 20.627 18.536 2.091 1
1 404 . 4 1 1 A 38 38 ALA N N 34 134.980 124.796 10.184 1
1 405 . 4 1 1 A 39 39 SER H H 35 8.679 7.612 1.067 1
1 406 . 4 1 1 A 39 39 SER HA H 35 4.189 4.285 -0.096 1
1 409 . 4 1 1 A 39 39 SER C C 35 175.713 176.449 -0.736 1
1 410 . 4 1 1 A 39 39 SER CA C 35 60.956 60.452 0.504 1
1 411 . 4 1 1 A 39 39 SER CB C 35 64.425 63.295 1.130 1
1 412 . 4 1 1 A 39 39 SER N N 35 111.865 115.421 -3.556 1
1 413 . 4 1 1 A 40 40 THR H H 36 8.438 8.705 -0.267 1
1 414 . 4 1 1 A 40 40 THR HA H 36 4.672 3.892 0.780 1
1 419 . 4 1 1 A 40 40 THR CA C 36 59.859 65.345 -5.486 1
1 421 . 4 1 1 A 40 40 THR N N 36 114.335 119.922 -5.587 1
1 422 . 4 1 1 A 41 41 SER C C 37 174.129 175.636 -1.507 1
1 423 . 4 1 1 A 41 41 SER CA C 37 60.964 62.287 -1.323 1
1 424 . 4 1 1 A 41 41 SER CB C 37 63.605 62.785 0.820 1
1 425 . 4 1 1 A 42 42 LEU H H 38 8.643 7.820 0.823 1
1 426 . 4 1 1 A 42 42 LEU HA H 38 4.679 4.369 0.310 1
1 436 . 4 1 1 A 42 42 LEU C C 38 176.347 177.988 -1.641 1
1 437 . 4 1 1 A 42 42 LEU CA C 38 54.842 55.560 -0.718 1
1 438 . 4 1 1 A 42 42 LEU CB C 38 41.117 43.651 -2.534 1
1 439 . 4 1 1 A 42 42 LEU N N 38 121.245 118.087 3.158 1
1 440 . 4 1 1 A 43 43 ARG H H 39 7.583 8.357 -0.774 1
1 441 . 4 1 1 A 43 43 ARG HA H 39 4.173 4.097 0.076 1
1 448 . 4 1 1 A 43 43 ARG C C 39 175.925 178.358 -2.433 1
1 449 . 4 1 1 A 43 43 ARG CA C 39 60.907 59.573 1.334 1
1 450 . 4 1 1 A 43 43 ARG N N 39 123.341 120.813 2.528 1
1 451 . 4 1 1 A 44 44 GLN H H 40 8.203 8.202 0.001 1
1 452 . 4 1 1 A 44 44 GLN HA H 40 3.974 3.905 0.069 1
1 459 . 4 1 1 A 44 44 GLN C C 40 175.608 178.261 -2.653 1
1 460 . 4 1 1 A 44 44 GLN CA C 40 58.622 59.079 -0.457 1
1 461 . 4 1 1 A 44 44 GLN CB C 40 28.591 28.246 0.345 1
1 464 . 4 1 1 A 44 44 GLN N N 40 114.940 118.626 -3.686 1
1 466 . 4 1 1 A 45 45 GLU H H 41 7.616 8.294 -0.678 1
1 467 . 4 1 1 A 45 45 GLU HA H 41 3.947 4.071 -0.124 1
1 472 . 4 1 1 A 45 45 GLU CA C 41 59.009 59.581 -0.572 1
1 473 . 4 1 1 A 45 45 GLU CB C 41 30.110 28.925 1.185 1
1 474 . 4 1 1 A 45 45 GLU N N 41 120.916 117.794 3.122 1
1 475 . 4 1 1 A 46 46 MET H H 42 7.474 8.168 -0.694 1
1 476 . 4 1 1 A 46 46 MET HA H 42 4.778 4.167 0.611 1
1 483 . 4 1 1 A 46 46 MET C C 42 176.347 178.214 -1.867 1
1 484 . 4 1 1 A 46 46 MET CA C 42 59.567 58.104 1.463 1
1 485 . 4 1 1 A 46 46 MET CB C 42 30.294 33.277 -2.983 1
1 487 . 4 1 1 A 46 46 MET N N 42 118.736 119.023 -0.287 1
1 488 . 4 1 1 A 47 47 VAL H H 43 8.006 8.477 -0.471 1
1 489 . 4 1 1 A 47 47 VAL HA H 43 3.624 3.306 0.318 1
1 497 . 4 1 1 A 47 47 VAL C C 43 176.911 177.402 -0.491 1
1 498 . 4 1 1 A 47 47 VAL CA C 43 65.362 64.844 0.518 1
1 499 . 4 1 1 A 47 47 VAL CB C 43 31.859 30.580 1.279 1
1 501 . 4 1 1 A 47 47 VAL N N 43 116.804 118.748 -1.944 1
1 502 . 4 1 1 A 48 48 GLN H H 44 7.935 8.336 -0.401 1
1 503 . 4 1 1 A 48 48 GLN HA H 44 3.972 3.996 -0.024 1
1 510 . 4 1 1 A 48 48 GLN C C 44 178.636 178.282 0.354 1
1 511 . 4 1 1 A 48 48 GLN CA C 44 58.472 58.483 -0.011 1
1 512 . 4 1 1 A 48 48 GLN CB C 44 30.542 27.923 2.619 1
1 513 . 4 1 1 A 48 48 GLN N N 44 117.704 119.580 -1.876 1
1 515 . 4 1 1 A 49 49 ARG H H 45 8.100 7.787 0.313 1
1 516 . 4 1 1 A 49 49 ARG HA H 45 3.906 4.097 -0.191 1
1 521 . 4 1 1 A 49 49 ARG CA C 45 59.397 58.694 0.703 1
1 522 . 4 1 1 A 49 49 ARG CB C 45 29.993 29.966 0.027 1
1 523 . 4 1 1 A 49 49 ARG N N 45 120.984 120.072 0.912 1
1 524 . 4 1 1 A 50 50 ALA H H 46 8.279 7.513 0.766 1
1 525 . 4 1 1 A 50 50 ALA HA H 46 3.782 4.350 -0.568 1
1 529 . 4 1 1 A 50 50 ALA C C 46 178.073 179.105 -1.032 1
1 530 . 4 1 1 A 50 50 ALA CA C 46 51.408 53.735 -2.327 1
1 531 . 4 1 1 A 50 50 ALA CB C 46 18.883 19.161 -0.278 1
1 532 . 4 1 1 A 50 50 ALA N N 46 118.254 121.784 -3.530 1
1 533 . 4 1 1 A 51 51 ASN H H 47 7.706 8.152 -0.446 1
1 534 . 4 1 1 A 51 51 ASN HA H 47 4.420 5.072 -0.652 1
1 539 . 4 1 1 A 51 51 ASN C C 47 174.974 175.870 -0.896 1
1 540 . 4 1 1 A 51 51 ASN CA C 47 54.303 53.333 0.970 1
1 541 . 4 1 1 A 51 51 ASN CB C 47 37.804 40.099 -2.295 1
1 543 . 4 1 1 A 51 51 ASN N N 47 115.277 112.046 3.231 1
1 545 . 4 1 1 A 52 52 GLY H H 48 8.702 7.829 0.873 1
1 546 . 4 1 1 A 52 52 GLY HA2 H 48 4.267 4.065 0.202 1
1 547 . 4 1 1 A 52 52 GLY HA3 H 48 3.379 4.075 -0.696 1
1 548 . 4 1 1 A 52 52 GLY CA C 48 45.176 45.528 -0.352 1
1 549 . 4 1 1 A 52 52 GLY N N 48 104.035 108.299 -4.264 1
1 550 . 4 1 1 A 53 53 ARG H H 49 7.116 7.875 -0.759 1
1 551 . 4 1 1 A 53 53 ARG HA H 49 4.144 4.710 -0.566 1
1 558 . 4 1 1 A 53 53 ARG C C 49 176.101 173.790 2.311 1
1 559 . 4 1 1 A 53 53 ARG CA C 49 57.285 55.863 1.422 1
1 560 . 4 1 1 A 53 53 ARG N N 49 121.384 120.748 0.636 1
1 561 . 4 1 1 A 54 54 ASN H H 50 7.958 8.828 -0.870 1
1 562 . 4 1 1 A 54 54 ASN HA H 50 4.589 5.158 -0.569 1
1 567 . 4 1 1 A 54 54 ASN CA C 50 51.568 52.811 -1.243 1
1 568 . 4 1 1 A 54 54 ASN CB C 50 38.018 42.614 -4.596 1
1 570 . 4 1 1 A 54 54 ASN N N 50 116.546 124.056 -7.510 1
1 572 . 4 1 1 A 55 55 THR H H 51 6.818 8.621 -1.803 1
1 573 . 4 1 1 A 55 55 THR HA H 51 4.283 4.489 -0.206 1
1 578 . 4 1 1 A 55 55 THR C C 51 172.509 172.179 0.330 1
1 579 . 4 1 1 A 55 55 THR CA C 51 59.829 60.626 -0.797 1
1 580 . 4 1 1 A 55 55 THR CB C 51 70.400 69.404 0.996 1
1 582 . 4 1 1 A 55 55 THR N N 51 108.070 117.070 -9.000 1
1 583 . 4 1 1 A 56 56 PHE H H 52 8.444 7.678 0.766 1
1 584 . 4 1 1 A 56 56 PHE HA H 52 4.730 4.858 -0.128 1
1 592 . 4 1 1 A 56 56 PHE CA C 52 55.529 55.748 -0.219 1
1 593 . 4 1 1 A 56 56 PHE N N 52 116.926 124.072 -7.146 1
1 594 . 4 1 1 A 57 57 PRO CA C 53 62.827 63.093 -0.266 1
1 595 . 4 1 1 A 57 57 PRO CB C 53 35.258 32.867 2.391 1
1 596 . 4 1 1 A 58 58 GLN H H 54 8.070 8.411 -0.341 1
1 597 . 4 1 1 A 58 58 GLN HA H 54 4.853 4.993 -0.140 1
1 604 . 4 1 1 A 58 58 GLN C C 54 175.291 173.073 2.218 1
1 605 . 4 1 1 A 58 58 GLN CA C 54 55.071 55.182 -0.111 1
1 606 . 4 1 1 A 58 58 GLN CB C 54 32.237 31.010 1.227 1
1 607 . 4 1 1 A 58 58 GLN N N 54 113.697 116.905 -3.208 1
1 609 . 4 1 1 A 59 59 ILE H H 55 8.753 8.823 -0.070 1
1 610 . 4 1 1 A 59 59 ILE HA H 55 5.089 4.761 0.328 1
1 620 . 4 1 1 A 59 59 ILE C C 55 174.164 175.486 -1.322 1
1 621 . 4 1 1 A 59 59 ILE CA C 55 61.194 60.633 0.561 1
1 622 . 4 1 1 A 59 59 ILE CB C 55 40.657 39.375 1.282 1
1 625 . 4 1 1 A 59 59 ILE N N 55 122.202 121.672 0.530 1
1 626 . 4 1 1 A 60 60 PHE H H 56 9.564 9.376 0.188 1
1 627 . 4 1 1 A 60 60 PHE HA H 56 5.390 5.173 0.217 1
1 635 . 4 1 1 A 60 60 PHE C C 56 174.305 175.712 -1.407 1
1 636 . 4 1 1 A 60 60 PHE CA C 56 56.614 57.667 -1.053 1
1 637 . 4 1 1 A 60 60 PHE CB C 56 42.488 41.260 1.228 1
1 638 . 4 1 1 A 60 60 PHE N N 56 127.604 127.068 0.536 1
1 639 . 4 1 1 A 61 61 ILE H H 57 9.231 8.384 0.847 1
1 640 . 4 1 1 A 61 61 ILE HA H 57 4.483 4.843 -0.360 1
1 650 . 4 1 1 A 61 61 ILE C C 57 176.418 175.477 0.941 1
1 651 . 4 1 1 A 61 61 ILE CA C 57 60.800 59.178 1.622 1
1 652 . 4 1 1 A 61 61 ILE CB C 57 39.431 41.077 -1.646 1
1 656 . 4 1 1 A 61 61 ILE N N 57 121.606 117.424 4.182 1
1 657 . 4 1 1 A 62 62 GLY H H 58 9.118 9.757 -0.639 1
1 658 . 4 1 1 A 62 62 GLY HA2 H 58 4.092 3.922 0.170 1
1 659 . 4 1 1 A 62 62 GLY HA3 H 58 3.951 3.938 0.013 1
1 660 . 4 1 1 A 62 62 GLY C C 58 174.058 174.127 -0.069 1
1 661 . 4 1 1 A 62 62 GLY CA C 58 47.516 46.934 0.582 1
1 662 . 4 1 1 A 62 62 GLY N N 58 118.483 114.420 4.063 1
1 663 . 4 1 1 A 63 63 ASP H H 59 8.944 8.826 0.118 1
1 664 . 4 1 1 A 63 63 ASP HA H 59 4.762 4.750 0.012 1
1 667 . 4 1 1 A 63 63 ASP C C 59 175.220 174.318 0.902 1
1 668 . 4 1 1 A 63 63 ASP CA C 59 54.467 55.888 -1.421 1
1 669 . 4 1 1 A 63 63 ASP CB C 59 40.913 39.356 1.557 1
1 670 . 4 1 1 A 63 63 ASP N N 59 125.981 112.360 13.621 1
1 671 . 4 1 1 A 64 64 TYR H H 60 8.332 7.815 0.517 1
1 672 . 4 1 1 A 64 64 TYR HA H 60 4.600 4.750 -0.150 1
1 679 . 4 1 1 A 64 64 TYR C C 60 174.023 173.762 0.261 1
1 680 . 4 1 1 A 64 64 TYR CA C 60 57.761 56.309 1.452 1
1 681 . 4 1 1 A 64 64 TYR CB C 60 33.473 40.861 -7.388 1
1 682 . 4 1 1 A 64 64 TYR N N 60 122.443 118.912 3.531 1
1 683 . 4 1 1 A 65 65 HIS H H 61 8.625 7.905 0.720 1
1 684 . 4 1 1 A 65 65 HIS HA H 61 4.200 3.918 0.282 1
1 689 . 4 1 1 A 65 65 HIS C C 61 171.910 174.419 -2.509 1
1 690 . 4 1 1 A 65 65 HIS CA C 61 53.347 54.904 -1.557 1
1 691 . 4 1 1 A 65 65 HIS CB C 61 28.830 30.169 -1.339 1
1 692 . 4 1 1 A 65 65 HIS N N 61 129.863 122.450 7.413 1
1 693 . 4 1 1 A 66 66 VAL H H 62 8.059 9.097 -1.038 1
1 694 . 4 1 1 A 66 66 VAL HA H 62 3.316 3.755 -0.439 1
1 702 . 4 1 1 A 66 66 VAL CA C 62 64.194 63.676 0.518 1
1 703 . 4 1 1 A 66 66 VAL CB C 62 32.770 32.531 0.239 1
1 705 . 4 1 1 A 66 66 VAL N N 62 129.219 120.509 8.710 1
1 706 . 4 1 1 A 67 67 GLY H H 63 6.327 7.564 -1.237 1
1 707 . 4 1 1 A 67 67 GLY HA2 H 63 4.503 4.144 0.359 1
1 708 . 4 1 1 A 67 67 GLY HA3 H 63 2.870 4.150 -1.280 1
1 709 . 4 1 1 A 67 67 GLY C C 63 172.156 174.307 -2.151 1
1 710 . 4 1 1 A 67 67 GLY CA C 63 43.551 45.757 -2.206 1
1 711 . 4 1 1 A 67 67 GLY N N 63 102.548 106.680 -4.132 1
1 712 . 4 1 1 A 68 68 GLY H H 64 9.095 8.276 0.819 1
1 713 . 4 1 1 A 68 68 GLY HA2 H 64 4.863 4.079 0.784 1
1 714 . 4 1 1 A 68 68 GLY HA3 H 64 3.821 4.080 -0.259 1
1 715 . 4 1 1 A 68 68 GLY C C 64 172.509 175.023 -2.514 1
1 716 . 4 1 1 A 68 68 GLY CA C 64 43.870 44.264 -0.394 1
1 717 . 4 1 1 A 68 68 GLY N N 64 110.080 109.621 0.459 1
1 718 . 4 1 1 A 69 69 CYS H H 65 8.398 8.896 -0.498 1
1 719 . 4 1 1 A 69 69 CYS HA H 65 3.846 4.223 -0.377 1
1 722 . 4 1 1 A 69 69 CYS C C 65 173.741 176.691 -2.950 1
1 723 . 4 1 1 A 69 69 CYS CA C 65 62.944 62.583 0.361 1
1 724 . 4 1 1 A 69 69 CYS CB C 65 45.022 27.711 17.311 1
1 725 . 4 1 1 A 69 69 CYS N N 65 118.292 119.067 -0.775 1
1 726 . 4 1 1 A 70 70 ASP H H 66 9.110 8.431 0.679 1
1 727 . 4 1 1 A 70 70 ASP HA H 66 5.745 4.407 1.338 1
1 730 . 4 1 1 A 70 70 ASP C C 66 178.777 178.059 0.718 1
1 731 . 4 1 1 A 70 70 ASP CA C 66 57.437 56.685 0.752 1
1 732 . 4 1 1 A 70 70 ASP CB C 66 40.016 39.532 0.484 1
1 733 . 4 1 1 A 70 70 ASP N N 66 123.178 120.453 2.725 1
1 734 . 4 1 1 A 71 71 ASP H H 67 7.301 8.111 -0.810 1
1 735 . 4 1 1 A 71 71 ASP HA H 67 4.362 4.354 0.008 1
1 738 . 4 1 1 A 71 71 ASP C C 67 177.474 178.869 -1.395 1
1 739 . 4 1 1 A 71 71 ASP CA C 67 57.381 57.460 -0.079 1
1 740 . 4 1 1 A 71 71 ASP CB C 67 41.503 40.353 1.150 1
1 741 . 4 1 1 A 71 71 ASP N N 67 119.848 121.020 -1.172 1
1 742 . 4 1 1 A 72 72 LEU H H 68 7.805 7.702 0.103 1
1 743 . 4 1 1 A 72 72 LEU HA H 68 3.822 4.015 -0.193 1
1 753 . 4 1 1 A 72 72 LEU C C 68 177.509 178.524 -1.015 1
1 754 . 4 1 1 A 72 72 LEU CA C 68 58.446 57.948 0.498 1
1 755 . 4 1 1 A 72 72 LEU CB C 68 42.524 41.373 1.151 1
1 757 . 4 1 1 A 72 72 LEU N N 68 121.720 118.599 3.121 1
1 758 . 4 1 1 A 73 73 TYR H H 69 8.229 8.484 -0.255 1
1 759 . 4 1 1 A 73 73 TYR HA H 69 3.772 4.640 -0.868 1
1 766 . 4 1 1 A 73 73 TYR C C 69 177.721 178.164 -0.443 1
1 767 . 4 1 1 A 73 73 TYR CA C 69 62.867 60.511 2.356 1
1 768 . 4 1 1 A 73 73 TYR CB C 69 38.215 38.029 0.186 1
1 769 . 4 1 1 A 73 73 TYR N N 69 116.501 120.248 -3.747 1
1 770 . 4 1 1 A 74 74 ALA H H 70 8.275 8.581 -0.306 1
1 771 . 4 1 1 A 74 74 ALA HA H 70 4.286 4.079 0.207 1
1 775 . 4 1 1 A 74 74 ALA C C 70 180.045 179.982 0.063 1
1 776 . 4 1 1 A 74 74 ALA CA C 70 55.701 55.306 0.395 1
1 777 . 4 1 1 A 74 74 ALA CB C 70 17.944 18.096 -0.152 1
1 778 . 4 1 1 A 74 74 ALA N N 70 122.883 121.565 1.318 1
1 779 . 4 1 1 A 75 75 LEU H H 71 7.558 8.282 -0.724 1
1 780 . 4 1 1 A 75 75 LEU HA H 71 3.975 3.868 0.107 1
1 790 . 4 1 1 A 75 75 LEU C C 71 179.024 178.896 0.128 1
1 791 . 4 1 1 A 75 75 LEU CA C 71 57.994 58.204 -0.210 1
1 792 . 4 1 1 A 75 75 LEU CB C 71 42.836 41.728 1.108 1
1 793 . 4 1 1 A 75 75 LEU N N 71 117.133 118.613 -1.480 1
1 794 . 4 1 1 A 76 76 GLU H H 72 7.587 8.298 -0.711 1
1 795 . 4 1 1 A 76 76 GLU HA H 72 4.473 3.979 0.494 1
1 800 . 4 1 1 A 76 76 GLU C C 72 179.270 178.272 0.998 1
1 801 . 4 1 1 A 76 76 GLU CA C 72 58.296 59.007 -0.711 1
1 802 . 4 1 1 A 76 76 GLU CB C 72 28.457 28.762 -0.305 1
1 803 . 4 1 1 A 76 76 GLU N N 72 121.576 118.652 2.924 1
1 804 . 4 1 1 A 77 77 ASN H H 73 8.863 7.786 1.077 1
1 805 . 4 1 1 A 77 77 ASN HA H 73 4.511 4.518 -0.007 1
1 810 . 4 1 1 A 77 77 ASN C C 73 176.664 177.487 -0.823 1
1 811 . 4 1 1 A 77 77 ASN CA C 73 55.944 55.439 0.505 1
1 812 . 4 1 1 A 77 77 ASN CB C 73 38.660 38.505 0.155 1
1 814 . 4 1 1 A 77 77 ASN N N 73 120.232 119.229 1.003 1
1 816 . 4 1 1 A 78 78 LYS H H 74 7.617 7.653 -0.036 1
1 817 . 4 1 1 A 78 78 LYS HA H 74 4.426 4.275 0.151 1
1 826 . 4 1 1 A 78 78 LYS C C 74 176.312 176.460 -0.148 1
1 827 . 4 1 1 A 78 78 LYS CA C 74 55.863 56.274 -0.411 1
1 828 . 4 1 1 A 78 78 LYS CB C 74 33.482 33.036 0.446 1
1 829 . 4 1 1 A 78 78 LYS N N 74 115.597 116.380 -0.783 1
1 830 . 4 1 1 A 79 79 GLY H H 75 8.023 7.611 0.412 1
1 831 . 4 1 1 A 79 79 GLY HA2 H 75 4.060 4.016 0.044 1
1 832 . 4 1 1 A 79 79 GLY HA3 H 75 4.060 4.018 0.042 1
1 833 . 4 1 1 A 79 79 GLY C C 75 175.009 175.679 -0.670 1
1 834 . 4 1 1 A 79 79 GLY CA C 75 46.234 45.072 1.162 1
1 835 . 4 1 1 A 79 79 GLY N N 75 109.073 105.751 3.322 1
1 836 . 4 1 1 A 80 80 LYS H H 76 8.091 8.544 -0.453 1
1 837 . 4 1 1 A 80 80 LYS HA H 76 4.422 4.364 0.058 1
1 846 . 4 1 1 A 80 80 LYS C C 76 173.037 177.319 -4.282 1
1 847 . 4 1 1 A 80 80 LYS CA C 76 55.679 56.597 -0.918 1
1 848 . 4 1 1 A 80 80 LYS CB C 76 35.038 32.710 2.328 1
1 849 . 4 1 1 A 80 80 LYS N N 76 116.888 120.243 -3.355 1
1 850 . 4 1 1 A 81 81 LEU H H 77 7.411 7.684 -0.273 1
1 851 . 4 1 1 A 81 81 LEU HA H 77 4.003 3.926 0.077 1
1 861 . 4 1 1 A 81 81 LEU C C 77 177.333 177.922 -0.589 1
1 862 . 4 1 1 A 81 81 LEU CA C 77 57.512 57.946 -0.434 1
1 863 . 4 1 1 A 81 81 LEU CB C 77 40.676 41.216 -0.540 1
1 864 . 4 1 1 A 81 81 LEU N N 77 122.079 122.140 -0.061 1
1 865 . 4 1 1 A 82 82 ASP H H 78 8.613 8.455 0.158 1
1 866 . 4 1 1 A 82 82 ASP HA H 78 4.232 4.259 -0.027 1
1 869 . 4 1 1 A 82 82 ASP C C 78 178.354 178.586 -0.232 1
1 870 . 4 1 1 A 82 82 ASP CA C 78 58.438 57.776 0.662 1
1 871 . 4 1 1 A 82 82 ASP CB C 78 39.890 40.514 -0.624 1
1 872 . 4 1 1 A 82 82 ASP N N 78 118.813 119.007 -0.194 1
1 873 . 4 1 1 A 83 83 SER H H 79 7.886 7.812 0.074 1
1 874 . 4 1 1 A 83 83 SER HA H 79 4.164 4.153 0.011 1
1 877 . 4 1 1 A 83 83 SER C C 79 176.171 177.509 -1.338 1
1 878 . 4 1 1 A 83 83 SER CA C 79 61.285 61.429 -0.144 1
1 879 . 4 1 1 A 83 83 SER CB C 79 62.632 63.006 -0.374 1
1 880 . 4 1 1 A 83 83 SER N N 79 113.338 114.025 -0.687 1
1 881 . 4 1 1 A 84 84 LEU H H 80 7.354 8.102 -0.748 1
1 882 . 4 1 1 A 84 84 LEU HA H 80 4.152 3.964 0.188 1
1 892 . 4 1 1 A 84 84 LEU C C 80 173.671 179.006 -5.335 1
1 893 . 4 1 1 A 84 84 LEU CA C 80 56.841 58.215 -1.374 1
1 894 . 4 1 1 A 84 84 LEU CB C 80 42.682 41.443 1.239 1
1 897 . 4 1 1 A 84 84 LEU N N 80 121.453 121.676 -0.223 1
1 898 . 4 1 1 A 85 85 LEU H H 81 7.655 8.652 -0.997 1
1 899 . 4 1 1 A 85 85 LEU HA H 81 4.113 3.909 0.204 1
1 909 . 4 1 1 A 85 85 LEU C C 81 177.333 179.009 -1.676 1
1 910 . 4 1 1 A 85 85 LEU CA C 81 55.748 58.225 -2.477 1
1 911 . 4 1 1 A 85 85 LEU CB C 81 41.707 41.333 0.374 1
1 914 . 4 1 1 A 85 85 LEU N N 81 115.497 119.245 -3.748 1
1 915 . 4 1 1 A 86 86 GLN H H 82 7.414 8.226 -0.812 1
1 916 . 4 1 1 A 86 86 GLN HA H 82 4.177 4.065 0.112 1
1 923 . 4 1 1 A 86 86 GLN C C 82 175.537 177.477 -1.940 1
1 924 . 4 1 1 A 86 86 GLN CA C 82 56.986 58.459 -1.473 1
1 925 . 4 1 1 A 86 86 GLN CB C 82 29.187 28.584 0.603 1
1 928 . 4 1 1 A 86 86 GLN N N 82 117.020 117.933 -0.913 1
1 930 . 4 1 1 A 87 87 ASP H H 83 8.092 8.124 -0.032 1
1 931 . 4 1 1 A 87 87 ASP HA H 83 4.672 4.574 0.098 1
1 934 . 4 1 1 A 87 87 ASP C C 83 177.263 178.194 -0.931 1
1 935 . 4 1 1 A 87 87 ASP CA C 83 54.394 56.692 -2.298 1
1 936 . 4 1 1 A 87 87 ASP CB C 83 40.722 41.236 -0.514 1
1 937 . 4 1 1 A 87 87 ASP N N 83 119.072 118.294 0.778 1
1 938 . 4 1 1 A 88 88 VAL H H 84 7.692 7.796 -0.104 1
1 939 . 4 1 1 A 88 88 VAL HA H 84 4.175 3.982 0.193 1
1 947 . 4 1 1 A 88 88 VAL C C 84 174.164 178.054 -3.890 1
1 948 . 4 1 1 A 88 88 VAL CA C 84 62.165 65.744 -3.579 1
1 949 . 4 1 1 A 88 88 VAL CB C 84 32.284 31.558 0.726 1
1 952 . 4 1 1 A 88 88 VAL N N 84 118.778 115.001 3.777 1
1 1 . 5 1 1 A 2 2 PRO C C -2 177.005 176.548 0.457 1
1 2 . 5 1 1 A 2 2 PRO CA C -2 63.481 63.273 0.208 1
1 3 . 5 1 1 A 2 2 PRO CB C -2 32.244 31.472 0.772 1
1 4 . 5 1 1 A 3 3 GLY H H -1 8.665 7.875 0.790 1
1 5 . 5 1 1 A 3 3 GLY HA2 H -1 3.985 4.160 -0.175 1
1 6 . 5 1 1 A 3 3 GLY HA3 H -1 3.985 4.164 -0.179 1
1 7 . 5 1 1 A 3 3 GLY C C -1 173.706 171.887 1.819 1
1 8 . 5 1 1 A 3 3 GLY CA C -1 45.291 46.005 -0.714 1
1 9 . 5 1 1 A 3 3 GLY N N -1 109.788 109.655 0.133 1
1 10 . 5 1 1 A 4 4 SER H H 0 8.190 8.934 -0.744 1
1 11 . 5 1 1 A 4 4 SER HA H 0 4.477 5.400 -0.923 1
1 14 . 5 1 1 A 4 4 SER C C 0 175.738 173.236 2.502 1
1 15 . 5 1 1 A 4 4 SER CA C 0 58.322 56.912 1.410 1
1 16 . 5 1 1 A 4 4 SER CB C 0 63.927 66.645 -2.718 1
1 17 . 5 1 1 A 4 4 SER N N 0 115.613 116.913 -1.300 1
1 18 . 5 1 1 A 5 5 MET H H 1 8.458 9.161 -0.703 1
1 19 . 5 1 1 A 5 5 MET HA H 1 4.320 5.713 -1.393 1
1 27 . 5 1 1 A 5 5 MET C C 1 173.977 174.832 -0.855 1
1 28 . 5 1 1 A 5 5 MET CA C 1 56.011 53.384 2.627 1
1 29 . 5 1 1 A 5 5 MET CB C 1 33.797 35.158 -1.361 1
1 30 . 5 1 1 A 5 5 MET N N 1 122.334 118.937 3.397 1
1 31 . 5 1 1 A 6 6 LYS H H 2 8.445 8.715 -0.270 1
1 32 . 5 1 1 A 6 6 LYS HA H 2 4.566 4.823 -0.257 1
1 39 . 5 1 1 A 6 6 LYS C C 2 174.575 175.493 -0.918 1
1 40 . 5 1 1 A 6 6 LYS CA C 2 55.887 54.256 1.631 1
1 41 . 5 1 1 A 6 6 LYS CB C 2 33.848 35.706 -1.858 1
1 42 . 5 1 1 A 6 6 LYS N N 2 122.229 122.772 -0.543 1
1 43 . 5 1 1 A 7 7 GLU H H 3 8.324 8.787 -0.463 1
1 44 . 5 1 1 A 7 7 GLU HA H 3 4.440 5.044 -0.604 1
1 49 . 5 1 1 A 7 7 GLU C C 3 175.491 174.690 0.801 1
1 50 . 5 1 1 A 7 7 GLU CA C 3 55.680 54.909 0.771 1
1 51 . 5 1 1 A 7 7 GLU CB C 3 31.513 32.813 -1.300 1
1 52 . 5 1 1 A 7 7 GLU N N 3 121.539 117.675 3.864 1
1 53 . 5 1 1 A 8 8 ILE H H 4 9.014 8.711 0.303 1
1 54 . 5 1 1 A 8 8 ILE HA H 4 5.025 5.139 -0.114 1
1 64 . 5 1 1 A 8 8 ILE C C 4 174.199 173.859 0.340 1
1 65 . 5 1 1 A 8 8 ILE CA C 4 60.927 59.571 1.356 1
1 66 . 5 1 1 A 8 8 ILE CB C 4 38.759 40.941 -2.182 1
1 69 . 5 1 1 A 8 8 ILE N N 4 127.255 123.668 3.587 1
1 70 . 5 1 1 A 9 9 ILE H H 5 9.104 9.131 -0.027 1
1 71 . 5 1 1 A 9 9 ILE HA H 5 4.900 4.862 0.038 1
1 81 . 5 1 1 A 9 9 ILE C C 5 173.906 175.276 -1.370 1
1 82 . 5 1 1 A 9 9 ILE CA C 5 59.727 60.087 -0.360 1
1 83 . 5 1 1 A 9 9 ILE CB C 5 41.627 41.199 0.428 1
1 87 . 5 1 1 A 9 9 ILE N N 5 128.326 128.907 -0.581 1
1 88 . 5 1 1 A 10 10 LEU H H 6 8.891 9.114 -0.223 1
1 89 . 5 1 1 A 10 10 LEU HA H 6 5.157 5.196 -0.039 1
1 96 . 5 1 1 A 10 10 LEU CA C 6 54.076 53.292 0.784 1
1 97 . 5 1 1 A 10 10 LEU CB C 6 44.892 43.949 0.943 1
1 100 . 5 1 1 A 10 10 LEU N N 6 125.779 126.587 -0.808 1
1 101 . 5 1 1 A 11 11 TYR H H 7 9.099 9.162 -0.063 1
1 102 . 5 1 1 A 11 11 TYR HA H 7 4.336 5.345 -1.009 1
1 109 . 5 1 1 A 11 11 TYR C C 7 177.041 175.541 1.500 1
1 110 . 5 1 1 A 11 11 TYR CA C 7 57.379 56.667 0.712 1
1 111 . 5 1 1 A 11 11 TYR CB C 7 40.345 40.062 0.283 1
1 112 . 5 1 1 A 12 12 THR H H 8 9.286 8.684 0.602 1
1 113 . 5 1 1 A 12 12 THR HA H 8 5.105 5.023 0.082 1
1 118 . 5 1 1 A 12 12 THR C C 8 172.005 173.291 -1.286 1
1 119 . 5 1 1 A 12 12 THR CA C 8 60.604 61.050 -0.446 1
1 120 . 5 1 1 A 12 12 THR CB C 8 73.108 70.716 2.392 1
1 122 . 5 1 1 A 12 12 THR N N 8 111.938 114.137 -2.199 1
1 123 . 5 1 1 A 13 13 ARG H H 9 7.513 8.578 -1.065 1
1 124 . 5 1 1 A 13 13 ARG HA H 9 4.826 4.808 0.018 1
1 131 . 5 1 1 A 13 13 ARG CA C 9 52.836 54.232 -1.396 1
1 132 . 5 1 1 A 13 13 ARG CB C 9 31.436 30.950 0.486 1
1 133 . 5 1 1 A 13 13 ARG N N 9 114.036 120.609 -6.573 1
1 134 . 5 1 1 A 14 14 PRO HA H 10 4.294 4.544 -0.250 1
1 141 . 5 1 1 A 14 14 PRO C C 10 176.477 176.223 0.254 1
1 142 . 5 1 1 A 14 14 PRO CA C 10 63.464 64.144 -0.680 1
1 143 . 5 1 1 A 14 14 PRO CB C 10 32.615 31.611 1.004 1
1 144 . 5 1 1 A 15 15 ASN H H 11 8.987 8.331 0.656 1
1 145 . 5 1 1 A 15 15 ASN HA H 11 4.240 4.955 -0.715 1
1 150 . 5 1 1 A 15 15 ASN C C 11 176.266 173.689 2.577 1
1 151 . 5 1 1 A 15 15 ASN CA C 11 54.464 52.348 2.116 1
1 152 . 5 1 1 A 15 15 ASN CB C 11 37.500 38.814 -1.314 1
1 154 . 5 1 1 A 15 15 ASN N N 11 115.463 116.074 -0.611 1
1 156 . 5 1 1 A 16 16 CYS H H 12 7.324 7.981 -0.657 1
1 157 . 5 1 1 A 16 16 CYS HA H 12 4.931 5.049 -0.118 1
1 160 . 5 1 1 A 16 16 CYS CA C 12 56.277 56.746 -0.469 1
1 161 . 5 1 1 A 16 16 CYS N N 12 123.174 117.875 5.299 1
1 162 . 5 1 1 A 17 17 PRO C C 13 178.555 176.810 1.745 1
1 163 . 5 1 1 A 17 17 PRO CA C 13 64.409 64.083 0.326 1
1 164 . 5 1 1 A 17 17 PRO CB C 13 33.538 31.630 1.908 1
1 165 . 5 1 1 A 18 18 TYR H H 14 9.325 7.817 1.508 1
1 166 . 5 1 1 A 18 18 TYR HA H 14 4.404 4.345 0.059 1
1 173 . 5 1 1 A 18 18 TYR CA C 14 60.921 60.188 0.733 1
1 174 . 5 1 1 A 18 18 TYR N N 14 127.149 115.658 11.491 1
1 175 . 5 1 1 A 19 19 CYS H H 15 9.687 8.361 1.326 1
1 176 . 5 1 1 A 19 19 CYS HA H 15 4.725 4.074 0.651 1
1 177 . 5 1 1 A 19 19 CYS C C 15 174.998 177.439 -2.441 1
1 178 . 5 1 1 A 19 19 CYS CA C 15 64.573 62.365 2.208 1
1 179 . 5 1 1 A 19 19 CYS CB C 15 29.227 26.890 2.337 1
1 180 . 5 1 1 A 19 19 CYS N N 15 127.652 118.197 9.455 1
1 181 . 5 1 1 A 20 20 LYS H H 16 7.706 8.145 -0.439 1
1 182 . 5 1 1 A 20 20 LYS HA H 16 3.946 3.974 -0.028 1
1 191 . 5 1 1 A 20 20 LYS C C 16 177.252 179.466 -2.214 1
1 192 . 5 1 1 A 20 20 LYS CA C 16 59.857 60.005 -0.148 1
1 193 . 5 1 1 A 20 20 LYS CB C 16 32.542 32.366 0.176 1
1 194 . 5 1 1 A 20 20 LYS N N 16 119.200 120.504 -1.304 1
1 195 . 5 1 1 A 21 21 ARG H H 17 7.839 7.968 -0.129 1
1 196 . 5 1 1 A 21 21 ARG HA H 17 4.176 4.128 0.048 1
1 203 . 5 1 1 A 21 21 ARG C C 17 179.858 179.017 0.841 1
1 204 . 5 1 1 A 21 21 ARG CA C 17 59.647 59.190 0.457 1
1 205 . 5 1 1 A 21 21 ARG CB C 17 30.340 30.094 0.246 1
1 206 . 5 1 1 A 21 21 ARG N N 17 117.964 119.732 -1.768 1
1 207 . 5 1 1 A 22 22 ALA H H 18 8.084 8.189 -0.105 1
1 208 . 5 1 1 A 22 22 ALA HA H 18 4.168 4.159 0.009 1
1 212 . 5 1 1 A 22 22 ALA C C 18 177.322 179.533 -2.211 1
1 213 . 5 1 1 A 22 22 ALA CA C 18 55.859 55.281 0.578 1
1 214 . 5 1 1 A 22 22 ALA CB C 18 19.047 18.116 0.931 1
1 215 . 5 1 1 A 22 22 ALA N N 18 124.839 121.660 3.179 1
1 216 . 5 1 1 A 23 23 ARG H H 19 7.811 8.300 -0.489 1
1 217 . 5 1 1 A 23 23 ARG HA H 19 3.320 3.611 -0.291 1
1 224 . 5 1 1 A 23 23 ARG C C 19 177.217 178.095 -0.878 1
1 225 . 5 1 1 A 23 23 ARG CA C 19 60.780 58.806 1.974 1
1 226 . 5 1 1 A 23 23 ARG CB C 19 30.828 29.854 0.974 1
1 227 . 5 1 1 A 23 23 ARG N N 19 116.980 117.262 -0.282 1
1 228 . 5 1 1 A 24 24 ASP H H 20 8.710 8.128 0.582 1
1 229 . 5 1 1 A 24 24 ASP HA H 20 4.299 4.422 -0.123 1
1 232 . 5 1 1 A 24 24 ASP C C 20 178.625 178.292 0.333 1
1 233 . 5 1 1 A 24 24 ASP CA C 20 57.477 57.759 -0.282 1
1 234 . 5 1 1 A 24 24 ASP CB C 20 40.551 41.499 -0.948 1
1 235 . 5 1 1 A 24 24 ASP N N 20 116.717 120.022 -3.305 1
1 236 . 5 1 1 A 25 25 LEU H H 21 7.114 7.998 -0.884 1
1 237 . 5 1 1 A 25 25 LEU HA H 21 4.131 4.060 0.071 1
1 246 . 5 1 1 A 25 25 LEU C C 21 177.580 178.737 -1.157 1
1 247 . 5 1 1 A 25 25 LEU CA C 21 57.857 58.492 -0.635 1
1 248 . 5 1 1 A 25 25 LEU CB C 21 41.654 41.837 -0.183 1
1 251 . 5 1 1 A 25 25 LEU N N 21 119.808 120.586 -0.778 1
1 252 . 5 1 1 A 26 26 LEU H H 22 7.294 8.216 -0.922 1
1 253 . 5 1 1 A 26 26 LEU HA H 22 3.767 3.922 -0.155 1
1 262 . 5 1 1 A 26 26 LEU C C 22 178.696 178.830 -0.134 1
1 263 . 5 1 1 A 26 26 LEU CA C 22 58.107 58.302 -0.195 1
1 264 . 5 1 1 A 26 26 LEU CB C 22 40.750 41.882 -1.132 1
1 267 . 5 1 1 A 26 26 LEU N N 22 117.901 119.278 -1.377 1
1 268 . 5 1 1 A 27 27 ASP H H 23 9.446 8.366 1.080 1
1 269 . 5 1 1 A 27 27 ASP HA H 23 4.608 4.386 0.222 1
1 272 . 5 1 1 A 27 27 ASP C C 23 180.104 178.346 1.758 1
1 273 . 5 1 1 A 27 27 ASP CA C 23 57.406 57.929 -0.523 1
1 274 . 5 1 1 A 27 27 ASP CB C 23 39.839 42.174 -2.335 1
1 275 . 5 1 1 A 27 27 ASP N N 23 119.946 118.672 1.274 1
1 276 . 5 1 1 A 28 28 LYS H H 24 7.915 8.303 -0.388 1
1 277 . 5 1 1 A 28 28 LYS HA H 24 4.079 3.974 0.105 1
1 286 . 5 1 1 A 28 28 LYS C C 24 178.414 178.889 -0.475 1
1 287 . 5 1 1 A 28 28 LYS CA C 24 59.295 59.641 -0.346 1
1 288 . 5 1 1 A 28 28 LYS CB C 24 32.342 32.371 -0.029 1
1 289 . 5 1 1 A 28 28 LYS N N 24 122.484 119.118 3.366 1
1 290 . 5 1 1 A 29 29 LYS H H 25 7.763 7.648 0.115 1
1 291 . 5 1 1 A 29 29 LYS HA H 25 4.195 4.225 -0.030 1
1 300 . 5 1 1 A 29 29 LYS C C 25 176.583 177.078 -0.495 1
1 301 . 5 1 1 A 29 29 LYS CA C 25 56.122 56.587 -0.465 1
1 302 . 5 1 1 A 29 29 LYS CB C 25 32.771 32.991 -0.220 1
1 303 . 5 1 1 A 29 29 LYS N N 25 116.683 116.032 0.651 1
1 304 . 5 1 1 A 30 30 GLY H H 26 7.961 8.197 -0.236 1
1 305 . 5 1 1 A 30 30 GLY HA2 H 26 4.005 4.003 0.002 1
1 306 . 5 1 1 A 30 30 GLY HA3 H 26 3.894 4.003 -0.109 1
1 307 . 5 1 1 A 30 30 GLY C C 26 174.223 173.858 0.365 1
1 308 . 5 1 1 A 30 30 GLY CA C 26 46.265 46.495 -0.230 1
1 309 . 5 1 1 A 30 30 GLY N N 26 108.209 107.276 0.933 1
1 310 . 5 1 1 A 31 31 VAL H H 27 7.440 7.325 0.115 1
1 311 . 5 1 1 A 31 31 VAL HA H 27 4.355 4.905 -0.550 1
1 319 . 5 1 1 A 31 31 VAL C C 27 174.294 174.251 0.043 1
1 320 . 5 1 1 A 31 31 VAL CA C 27 60.115 59.188 0.927 1
1 321 . 5 1 1 A 31 31 VAL CB C 27 33.737 36.181 -2.444 1
1 323 . 5 1 1 A 31 31 VAL N N 27 114.927 113.973 0.954 1
1 324 . 5 1 1 A 32 32 LYS H H 28 8.408 8.540 -0.132 1
1 325 . 5 1 1 A 32 32 LYS HA H 28 4.268 4.817 -0.549 1
1 334 . 5 1 1 A 32 32 LYS C C 28 175.385 175.359 0.026 1
1 335 . 5 1 1 A 32 32 LYS CA C 28 55.441 54.914 0.527 1
1 336 . 5 1 1 A 32 32 LYS CB C 28 33.269 33.812 -0.543 1
1 337 . 5 1 1 A 32 32 LYS N N 28 124.540 120.797 3.743 1
1 338 . 5 1 1 A 33 33 TYR H H 29 7.451 8.633 -1.182 1
1 339 . 5 1 1 A 33 33 TYR HA H 29 5.149 5.721 -0.572 1
1 346 . 5 1 1 A 33 33 TYR C C 29 173.730 174.908 -1.178 1
1 347 . 5 1 1 A 33 33 TYR CA C 29 57.198 55.618 1.580 1
1 348 . 5 1 1 A 33 33 TYR CB C 29 41.499 41.509 -0.010 1
1 353 . 5 1 1 A 33 33 TYR N N 29 117.090 122.648 -5.558 1
1 354 . 5 1 1 A 34 34 THR H H 30 9.106 8.959 0.147 1
1 355 . 5 1 1 A 34 34 THR HA H 30 4.368 4.913 -0.545 1
1 360 . 5 1 1 A 34 34 THR C C 30 171.336 172.829 -1.493 1
1 361 . 5 1 1 A 34 34 THR CA C 30 62.096 61.755 0.341 1
1 362 . 5 1 1 A 34 34 THR CB C 30 70.603 69.667 0.936 1
1 364 . 5 1 1 A 34 34 THR N N 30 119.343 117.231 2.112 1
1 365 . 5 1 1 A 35 35 ASP H H 31 8.772 8.961 -0.189 1
1 366 . 5 1 1 A 35 35 ASP HA H 31 5.283 4.931 0.352 1
1 369 . 5 1 1 A 35 35 ASP C C 31 175.245 174.707 0.538 1
1 370 . 5 1 1 A 35 35 ASP CA C 31 52.549 53.513 -0.964 1
1 371 . 5 1 1 A 35 35 ASP CB C 31 42.286 41.448 0.838 1
1 372 . 5 1 1 A 35 35 ASP N N 31 129.184 127.967 1.217 1
1 373 . 5 1 1 A 36 36 ILE H H 32 9.283 9.137 0.146 1
1 374 . 5 1 1 A 36 36 ILE HA H 32 4.081 4.396 -0.315 1
1 384 . 5 1 1 A 36 36 ILE C C 32 175.854 175.642 0.212 1
1 385 . 5 1 1 A 36 36 ILE CA C 32 60.226 60.190 0.036 1
1 386 . 5 1 1 A 36 36 ILE CB C 32 39.998 38.453 1.545 1
1 388 . 5 1 1 A 36 36 ILE N N 32 129.240 127.578 1.662 1
1 389 . 5 1 1 A 37 37 ASP H H 33 8.298 8.596 -0.298 1
1 390 . 5 1 1 A 37 37 ASP HA H 33 4.648 4.468 0.180 1
1 393 . 5 1 1 A 37 37 ASP CA C 33 54.101 55.020 -0.919 1
1 394 . 5 1 1 A 37 37 ASP CB C 33 40.536 42.282 -1.746 1
1 395 . 5 1 1 A 37 37 ASP N N 33 125.570 128.297 -2.727 1
1 396 . 5 1 1 A 38 38 ALA H H 34 9.840 8.781 1.059 1
1 397 . 5 1 1 A 38 38 ALA HA H 34 4.620 4.108 0.512 1
1 401 . 5 1 1 A 38 38 ALA C C 34 175.185 177.567 -2.382 1
1 402 . 5 1 1 A 38 38 ALA CA C 34 51.239 54.691 -3.452 1
1 403 . 5 1 1 A 38 38 ALA CB C 34 20.627 18.575 2.052 1
1 404 . 5 1 1 A 38 38 ALA N N 34 134.980 128.498 6.482 1
1 405 . 5 1 1 A 39 39 SER H H 35 8.679 7.574 1.105 1
1 406 . 5 1 1 A 39 39 SER HA H 35 4.189 4.318 -0.129 1
1 409 . 5 1 1 A 39 39 SER C C 35 175.713 175.428 0.285 1
1 410 . 5 1 1 A 39 39 SER CA C 35 60.956 58.575 2.381 1
1 411 . 5 1 1 A 39 39 SER CB C 35 64.425 63.844 0.581 1
1 412 . 5 1 1 A 39 39 SER N N 35 111.865 114.638 -2.773 1
1 413 . 5 1 1 A 40 40 THR H H 36 8.438 8.655 -0.217 1
1 414 . 5 1 1 A 40 40 THR HA H 36 4.672 3.908 0.764 1
1 419 . 5 1 1 A 40 40 THR CA C 36 59.859 65.520 -5.661 1
1 421 . 5 1 1 A 40 40 THR N N 36 114.335 121.211 -6.876 1
1 422 . 5 1 1 A 41 41 SER C C 37 174.129 175.700 -1.571 1
1 423 . 5 1 1 A 41 41 SER CA C 37 60.964 61.068 -0.104 1
1 424 . 5 1 1 A 41 41 SER CB C 37 63.605 63.315 0.290 1
1 425 . 5 1 1 A 42 42 LEU H H 38 8.643 7.878 0.765 1
1 426 . 5 1 1 A 42 42 LEU HA H 38 4.679 4.373 0.306 1
1 436 . 5 1 1 A 42 42 LEU C C 38 176.347 178.080 -1.733 1
1 437 . 5 1 1 A 42 42 LEU CA C 38 54.842 55.850 -1.008 1
1 438 . 5 1 1 A 42 42 LEU CB C 38 41.117 43.459 -2.342 1
1 439 . 5 1 1 A 42 42 LEU N N 38 121.245 118.612 2.633 1
1 440 . 5 1 1 A 43 43 ARG H H 39 7.583 8.517 -0.934 1
1 441 . 5 1 1 A 43 43 ARG HA H 39 4.173 4.016 0.157 1
1 448 . 5 1 1 A 43 43 ARG C C 39 175.925 178.534 -2.609 1
1 449 . 5 1 1 A 43 43 ARG CA C 39 60.907 60.050 0.857 1
1 450 . 5 1 1 A 43 43 ARG N N 39 123.341 120.297 3.044 1
1 451 . 5 1 1 A 44 44 GLN H H 40 8.203 8.028 0.175 1
1 452 . 5 1 1 A 44 44 GLN HA H 40 3.974 3.943 0.031 1
1 459 . 5 1 1 A 44 44 GLN C C 40 175.608 178.238 -2.630 1
1 460 . 5 1 1 A 44 44 GLN CA C 40 58.622 59.271 -0.649 1
1 461 . 5 1 1 A 44 44 GLN CB C 40 28.591 28.412 0.179 1
1 464 . 5 1 1 A 44 44 GLN N N 40 114.940 118.788 -3.848 1
1 466 . 5 1 1 A 45 45 GLU H H 41 7.616 8.046 -0.430 1
1 467 . 5 1 1 A 45 45 GLU HA H 41 3.947 4.109 -0.162 1
1 472 . 5 1 1 A 45 45 GLU CA C 41 59.009 59.155 -0.146 1
1 473 . 5 1 1 A 45 45 GLU CB C 41 30.110 29.777 0.333 1
1 474 . 5 1 1 A 45 45 GLU N N 41 120.916 119.573 1.343 1
1 475 . 5 1 1 A 46 46 MET H H 42 7.474 8.129 -0.655 1
1 476 . 5 1 1 A 46 46 MET HA H 42 4.778 4.133 0.645 1
1 483 . 5 1 1 A 46 46 MET C C 42 176.347 178.245 -1.898 1
1 484 . 5 1 1 A 46 46 MET CA C 42 59.567 58.228 1.339 1
1 485 . 5 1 1 A 46 46 MET CB C 42 30.294 32.906 -2.612 1
1 487 . 5 1 1 A 46 46 MET N N 42 118.736 119.561 -0.825 1
1 488 . 5 1 1 A 47 47 VAL H H 43 8.006 8.506 -0.500 1
1 489 . 5 1 1 A 47 47 VAL HA H 43 3.624 3.408 0.216 1
1 497 . 5 1 1 A 47 47 VAL C C 43 176.911 177.371 -0.460 1
1 498 . 5 1 1 A 47 47 VAL CA C 43 65.362 64.986 0.376 1
1 499 . 5 1 1 A 47 47 VAL CB C 43 31.859 30.670 1.189 1
1 501 . 5 1 1 A 47 47 VAL N N 43 116.804 118.653 -1.849 1
1 502 . 5 1 1 A 48 48 GLN H H 44 7.935 7.957 -0.022 1
1 503 . 5 1 1 A 48 48 GLN HA H 44 3.972 3.922 0.050 1
1 510 . 5 1 1 A 48 48 GLN C C 44 178.636 178.006 0.630 1
1 511 . 5 1 1 A 48 48 GLN CA C 44 58.472 59.067 -0.595 1
1 512 . 5 1 1 A 48 48 GLN CB C 44 30.542 28.562 1.980 1
1 513 . 5 1 1 A 48 48 GLN N N 44 117.704 122.304 -4.600 1
1 515 . 5 1 1 A 49 49 ARG H H 45 8.100 8.061 0.039 1
1 516 . 5 1 1 A 49 49 ARG HA H 45 3.906 4.151 -0.245 1
1 521 . 5 1 1 A 49 49 ARG CA C 45 59.397 58.618 0.779 1
1 522 . 5 1 1 A 49 49 ARG CB C 45 29.993 29.843 0.150 1
1 523 . 5 1 1 A 49 49 ARG N N 45 120.984 120.280 0.704 1
1 524 . 5 1 1 A 50 50 ALA H H 46 8.279 7.638 0.641 1
1 525 . 5 1 1 A 50 50 ALA HA H 46 3.782 4.112 -0.330 1
1 529 . 5 1 1 A 50 50 ALA C C 46 178.073 179.001 -0.928 1
1 530 . 5 1 1 A 50 50 ALA CA C 46 51.408 54.718 -3.310 1
1 531 . 5 1 1 A 50 50 ALA CB C 46 18.883 18.399 0.484 1
1 532 . 5 1 1 A 50 50 ALA N N 46 118.254 122.365 -4.111 1
1 533 . 5 1 1 A 51 51 ASN H H 47 7.706 7.910 -0.204 1
1 534 . 5 1 1 A 51 51 ASN HA H 47 4.420 5.090 -0.670 1
1 539 . 5 1 1 A 51 51 ASN C C 47 174.974 175.914 -0.940 1
1 540 . 5 1 1 A 51 51 ASN CA C 47 54.303 52.914 1.389 1
1 541 . 5 1 1 A 51 51 ASN CB C 47 37.804 40.657 -2.853 1
1 543 . 5 1 1 A 51 51 ASN N N 47 115.277 111.931 3.346 1
1 545 . 5 1 1 A 52 52 GLY H H 48 8.702 7.981 0.721 1
1 546 . 5 1 1 A 52 52 GLY HA2 H 48 4.267 4.052 0.215 1
1 547 . 5 1 1 A 52 52 GLY HA3 H 48 3.379 4.061 -0.682 1
1 548 . 5 1 1 A 52 52 GLY CA C 48 45.176 45.475 -0.299 1
1 549 . 5 1 1 A 52 52 GLY N N 48 104.035 108.447 -4.412 1
1 550 . 5 1 1 A 53 53 ARG H H 49 7.116 7.883 -0.767 1
1 551 . 5 1 1 A 53 53 ARG HA H 49 4.144 4.723 -0.579 1
1 558 . 5 1 1 A 53 53 ARG C C 49 176.101 174.104 1.997 1
1 559 . 5 1 1 A 53 53 ARG CA C 49 57.285 55.772 1.513 1
1 560 . 5 1 1 A 53 53 ARG N N 49 121.384 121.022 0.362 1
1 561 . 5 1 1 A 54 54 ASN H H 50 7.958 8.819 -0.861 1
1 562 . 5 1 1 A 54 54 ASN HA H 50 4.589 5.271 -0.682 1
1 567 . 5 1 1 A 54 54 ASN CA C 50 51.568 52.440 -0.872 1
1 568 . 5 1 1 A 54 54 ASN CB C 50 38.018 42.924 -4.906 1
1 570 . 5 1 1 A 54 54 ASN N N 50 116.546 122.496 -5.950 1
1 572 . 5 1 1 A 55 55 THR H H 51 6.818 8.733 -1.915 1
1 573 . 5 1 1 A 55 55 THR HA H 51 4.283 4.544 -0.261 1
1 578 . 5 1 1 A 55 55 THR C C 51 172.509 172.052 0.457 1
1 579 . 5 1 1 A 55 55 THR CA C 51 59.829 60.800 -0.971 1
1 580 . 5 1 1 A 55 55 THR CB C 51 70.400 69.132 1.268 1
1 582 . 5 1 1 A 55 55 THR N N 51 108.070 115.879 -7.809 1
1 583 . 5 1 1 A 56 56 PHE H H 52 8.444 7.925 0.519 1
1 584 . 5 1 1 A 56 56 PHE HA H 52 4.730 4.869 -0.139 1
1 592 . 5 1 1 A 56 56 PHE CA C 52 55.529 55.759 -0.230 1
1 593 . 5 1 1 A 56 56 PHE N N 52 116.926 125.438 -8.512 1
1 594 . 5 1 1 A 57 57 PRO CA C 53 62.827 63.061 -0.234 1
1 595 . 5 1 1 A 57 57 PRO CB C 53 35.258 32.760 2.498 1
1 596 . 5 1 1 A 58 58 GLN H H 54 8.070 8.328 -0.258 1
1 597 . 5 1 1 A 58 58 GLN HA H 54 4.853 5.083 -0.230 1
1 604 . 5 1 1 A 58 58 GLN C C 54 175.291 173.003 2.288 1
1 605 . 5 1 1 A 58 58 GLN CA C 54 55.071 55.173 -0.102 1
1 606 . 5 1 1 A 58 58 GLN CB C 54 32.237 30.996 1.241 1
1 607 . 5 1 1 A 58 58 GLN N N 54 113.697 116.920 -3.223 1
1 609 . 5 1 1 A 59 59 ILE H H 55 8.753 8.379 0.374 1
1 610 . 5 1 1 A 59 59 ILE HA H 55 5.089 4.738 0.351 1
1 620 . 5 1 1 A 59 59 ILE C C 55 174.164 175.325 -1.161 1
1 621 . 5 1 1 A 59 59 ILE CA C 55 61.194 60.616 0.578 1
1 622 . 5 1 1 A 59 59 ILE CB C 55 40.657 39.206 1.451 1
1 625 . 5 1 1 A 59 59 ILE N N 55 122.202 121.706 0.496 1
1 626 . 5 1 1 A 60 60 PHE H H 56 9.564 9.417 0.147 1
1 627 . 5 1 1 A 60 60 PHE HA H 56 5.390 5.124 0.266 1
1 635 . 5 1 1 A 60 60 PHE C C 56 174.305 175.652 -1.347 1
1 636 . 5 1 1 A 60 60 PHE CA C 56 56.614 57.410 -0.796 1
1 637 . 5 1 1 A 60 60 PHE CB C 56 42.488 41.087 1.401 1
1 638 . 5 1 1 A 60 60 PHE N N 56 127.604 126.477 1.127 1
1 639 . 5 1 1 A 61 61 ILE H H 57 9.231 8.520 0.711 1
1 640 . 5 1 1 A 61 61 ILE HA H 57 4.483 4.825 -0.342 1
1 650 . 5 1 1 A 61 61 ILE C C 57 176.418 175.494 0.924 1
1 651 . 5 1 1 A 61 61 ILE CA C 57 60.800 59.307 1.493 1
1 652 . 5 1 1 A 61 61 ILE CB C 57 39.431 41.043 -1.612 1
1 656 . 5 1 1 A 61 61 ILE N N 57 121.606 117.351 4.255 1
1 657 . 5 1 1 A 62 62 GLY H H 58 9.118 9.704 -0.586 1
1 658 . 5 1 1 A 62 62 GLY HA2 H 58 4.092 3.939 0.153 1
1 659 . 5 1 1 A 62 62 GLY HA3 H 58 3.951 3.946 0.005 1
1 660 . 5 1 1 A 62 62 GLY C C 58 174.058 174.135 -0.077 1
1 661 . 5 1 1 A 62 62 GLY CA C 58 47.516 46.950 0.566 1
1 662 . 5 1 1 A 62 62 GLY N N 58 118.483 114.414 4.069 1
1 663 . 5 1 1 A 63 63 ASP H H 59 8.944 8.808 0.136 1
1 664 . 5 1 1 A 63 63 ASP HA H 59 4.762 4.632 0.130 1
1 667 . 5 1 1 A 63 63 ASP C C 59 175.220 174.382 0.838 1
1 668 . 5 1 1 A 63 63 ASP CA C 59 54.467 55.917 -1.450 1
1 669 . 5 1 1 A 63 63 ASP CB C 59 40.913 39.145 1.768 1
1 670 . 5 1 1 A 63 63 ASP N N 59 125.981 112.240 13.741 1
1 671 . 5 1 1 A 64 64 TYR H H 60 8.332 7.892 0.440 1
1 672 . 5 1 1 A 64 64 TYR HA H 60 4.600 4.854 -0.254 1
1 679 . 5 1 1 A 64 64 TYR C C 60 174.023 173.881 0.142 1
1 680 . 5 1 1 A 64 64 TYR CA C 60 57.761 56.816 0.945 1
1 681 . 5 1 1 A 64 64 TYR CB C 60 33.473 40.725 -7.252 1
1 682 . 5 1 1 A 64 64 TYR N N 60 122.443 119.023 3.420 1
1 683 . 5 1 1 A 65 65 HIS H H 61 8.625 8.013 0.612 1
1 684 . 5 1 1 A 65 65 HIS HA H 61 4.200 3.806 0.394 1
1 689 . 5 1 1 A 65 65 HIS C C 61 171.910 174.420 -2.510 1
1 690 . 5 1 1 A 65 65 HIS CA C 61 53.347 55.138 -1.791 1
1 691 . 5 1 1 A 65 65 HIS CB C 61 28.830 29.954 -1.124 1
1 692 . 5 1 1 A 65 65 HIS N N 61 129.863 122.435 7.428 1
1 693 . 5 1 1 A 66 66 VAL H H 62 8.059 9.060 -1.001 1
1 694 . 5 1 1 A 66 66 VAL HA H 62 3.316 3.733 -0.417 1
1 702 . 5 1 1 A 66 66 VAL CA C 62 64.194 63.681 0.513 1
1 703 . 5 1 1 A 66 66 VAL CB C 62 32.770 32.535 0.235 1
1 705 . 5 1 1 A 66 66 VAL N N 62 129.219 120.523 8.696 1
1 706 . 5 1 1 A 67 67 GLY H H 63 6.327 7.472 -1.145 1
1 707 . 5 1 1 A 67 67 GLY HA2 H 63 4.503 4.164 0.339 1
1 708 . 5 1 1 A 67 67 GLY HA3 H 63 2.870 4.167 -1.297 1
1 709 . 5 1 1 A 67 67 GLY C C 63 172.156 172.797 -0.641 1
1 710 . 5 1 1 A 67 67 GLY CA C 63 43.551 45.748 -2.197 1
1 711 . 5 1 1 A 67 67 GLY N N 63 102.548 106.161 -3.613 1
1 712 . 5 1 1 A 68 68 GLY H H 64 9.095 8.492 0.603 1
1 713 . 5 1 1 A 68 68 GLY HA2 H 64 4.863 4.042 0.821 1
1 714 . 5 1 1 A 68 68 GLY HA3 H 64 3.821 4.065 -0.244 1
1 715 . 5 1 1 A 68 68 GLY C C 64 172.509 174.928 -2.419 1
1 716 . 5 1 1 A 68 68 GLY CA C 64 43.870 44.523 -0.653 1
1 717 . 5 1 1 A 68 68 GLY N N 64 110.080 113.610 -3.530 1
1 718 . 5 1 1 A 69 69 CYS H H 65 8.398 8.885 -0.487 1
1 719 . 5 1 1 A 69 69 CYS HA H 65 3.846 4.172 -0.326 1
1 722 . 5 1 1 A 69 69 CYS C C 65 173.741 176.723 -2.982 1
1 723 . 5 1 1 A 69 69 CYS CA C 65 62.944 61.635 1.309 1
1 724 . 5 1 1 A 69 69 CYS CB C 65 45.022 27.017 18.005 1
1 725 . 5 1 1 A 69 69 CYS N N 65 118.292 118.648 -0.356 1
1 726 . 5 1 1 A 70 70 ASP H H 66 9.110 8.323 0.787 1
1 727 . 5 1 1 A 70 70 ASP HA H 66 5.745 4.338 1.407 1
1 730 . 5 1 1 A 70 70 ASP C C 66 178.777 178.376 0.401 1
1 731 . 5 1 1 A 70 70 ASP CA C 66 57.437 56.598 0.839 1
1 732 . 5 1 1 A 70 70 ASP CB C 66 40.016 39.714 0.302 1
1 733 . 5 1 1 A 70 70 ASP N N 66 123.178 119.968 3.210 1
1 734 . 5 1 1 A 71 71 ASP H H 67 7.301 8.208 -0.907 1
1 735 . 5 1 1 A 71 71 ASP HA H 67 4.362 4.255 0.107 1
1 738 . 5 1 1 A 71 71 ASP C C 67 177.474 178.797 -1.323 1
1 739 . 5 1 1 A 71 71 ASP CA C 67 57.381 57.491 -0.110 1
1 740 . 5 1 1 A 71 71 ASP CB C 67 41.503 41.120 0.383 1
1 741 . 5 1 1 A 71 71 ASP N N 67 119.848 121.050 -1.202 1
1 742 . 5 1 1 A 72 72 LEU H H 68 7.805 7.501 0.304 1
1 743 . 5 1 1 A 72 72 LEU HA H 68 3.822 4.034 -0.212 1
1 753 . 5 1 1 A 72 72 LEU C C 68 177.509 178.620 -1.111 1
1 754 . 5 1 1 A 72 72 LEU CA C 68 58.446 57.932 0.514 1
1 755 . 5 1 1 A 72 72 LEU CB C 68 42.524 41.593 0.931 1
1 757 . 5 1 1 A 72 72 LEU N N 68 121.720 117.992 3.728 1
1 758 . 5 1 1 A 73 73 TYR H H 69 8.229 8.388 -0.159 1
1 759 . 5 1 1 A 73 73 TYR HA H 69 3.772 4.352 -0.580 1
1 766 . 5 1 1 A 73 73 TYR C C 69 177.721 178.123 -0.402 1
1 767 . 5 1 1 A 73 73 TYR CA C 69 62.867 60.736 2.131 1
1 768 . 5 1 1 A 73 73 TYR CB C 69 38.215 37.892 0.323 1
1 769 . 5 1 1 A 73 73 TYR N N 69 116.501 120.252 -3.751 1
1 770 . 5 1 1 A 74 74 ALA H H 70 8.275 8.700 -0.425 1
1 771 . 5 1 1 A 74 74 ALA HA H 70 4.286 4.115 0.171 1
1 775 . 5 1 1 A 74 74 ALA C C 70 180.045 179.937 0.108 1
1 776 . 5 1 1 A 74 74 ALA CA C 70 55.701 55.245 0.456 1
1 777 . 5 1 1 A 74 74 ALA CB C 70 17.944 18.271 -0.327 1
1 778 . 5 1 1 A 74 74 ALA N N 70 122.883 121.391 1.492 1
1 779 . 5 1 1 A 75 75 LEU H H 71 7.558 8.310 -0.752 1
1 780 . 5 1 1 A 75 75 LEU HA H 71 3.975 3.867 0.108 1
1 790 . 5 1 1 A 75 75 LEU C C 71 179.024 179.046 -0.022 1
1 791 . 5 1 1 A 75 75 LEU CA C 71 57.994 58.204 -0.210 1
1 792 . 5 1 1 A 75 75 LEU CB C 71 42.836 41.627 1.209 1
1 793 . 5 1 1 A 75 75 LEU N N 71 117.133 118.029 -0.896 1
1 794 . 5 1 1 A 76 76 GLU H H 72 7.587 8.326 -0.739 1
1 795 . 5 1 1 A 76 76 GLU HA H 72 4.473 3.875 0.598 1
1 800 . 5 1 1 A 76 76 GLU C C 72 179.270 178.350 0.920 1
1 801 . 5 1 1 A 76 76 GLU CA C 72 58.296 59.792 -1.496 1
1 802 . 5 1 1 A 76 76 GLU CB C 72 28.457 29.151 -0.694 1
1 803 . 5 1 1 A 76 76 GLU N N 72 121.576 119.206 2.370 1
1 804 . 5 1 1 A 77 77 ASN H H 73 8.863 7.909 0.954 1
1 805 . 5 1 1 A 77 77 ASN HA H 73 4.511 4.467 0.044 1
1 810 . 5 1 1 A 77 77 ASN C C 73 176.664 177.172 -0.508 1
1 811 . 5 1 1 A 77 77 ASN CA C 73 55.944 55.445 0.499 1
1 812 . 5 1 1 A 77 77 ASN CB C 73 38.660 38.440 0.220 1
1 814 . 5 1 1 A 77 77 ASN N N 73 120.232 117.940 2.292 1
1 816 . 5 1 1 A 78 78 LYS H H 74 7.617 7.642 -0.025 1
1 817 . 5 1 1 A 78 78 LYS HA H 74 4.426 4.276 0.150 1
1 826 . 5 1 1 A 78 78 LYS C C 74 176.312 176.430 -0.118 1
1 827 . 5 1 1 A 78 78 LYS CA C 74 55.863 56.283 -0.420 1
1 828 . 5 1 1 A 78 78 LYS CB C 74 33.482 33.025 0.457 1
1 829 . 5 1 1 A 78 78 LYS N N 74 115.597 116.474 -0.877 1
1 830 . 5 1 1 A 79 79 GLY H H 75 8.023 7.634 0.389 1
1 831 . 5 1 1 A 79 79 GLY HA2 H 75 4.060 4.002 0.058 1
1 832 . 5 1 1 A 79 79 GLY HA3 H 75 4.060 4.004 0.056 1
1 833 . 5 1 1 A 79 79 GLY C C 75 175.009 175.556 -0.547 1
1 834 . 5 1 1 A 79 79 GLY CA C 75 46.234 45.105 1.129 1
1 835 . 5 1 1 A 79 79 GLY N N 75 109.073 105.591 3.482 1
1 836 . 5 1 1 A 80 80 LYS H H 76 8.091 8.315 -0.224 1
1 837 . 5 1 1 A 80 80 LYS HA H 76 4.422 4.307 0.115 1
1 846 . 5 1 1 A 80 80 LYS C C 76 173.037 177.526 -4.489 1
1 847 . 5 1 1 A 80 80 LYS CA C 76 55.679 56.947 -1.268 1
1 848 . 5 1 1 A 80 80 LYS CB C 76 35.038 32.195 2.843 1
1 849 . 5 1 1 A 80 80 LYS N N 76 116.888 120.790 -3.902 1
1 850 . 5 1 1 A 81 81 LEU H H 77 7.411 7.718 -0.307 1
1 851 . 5 1 1 A 81 81 LEU HA H 77 4.003 3.941 0.062 1
1 861 . 5 1 1 A 81 81 LEU C C 77 177.333 177.839 -0.506 1
1 862 . 5 1 1 A 81 81 LEU CA C 77 57.512 58.227 -0.715 1
1 863 . 5 1 1 A 81 81 LEU CB C 77 40.676 41.056 -0.380 1
1 864 . 5 1 1 A 81 81 LEU N N 77 122.079 121.460 0.619 1
1 865 . 5 1 1 A 82 82 ASP H H 78 8.613 8.539 0.074 1
1 866 . 5 1 1 A 82 82 ASP HA H 78 4.232 4.328 -0.096 1
1 869 . 5 1 1 A 82 82 ASP C C 78 178.354 178.744 -0.390 1
1 870 . 5 1 1 A 82 82 ASP CA C 78 58.438 56.859 1.579 1
1 871 . 5 1 1 A 82 82 ASP CB C 78 39.890 40.289 -0.399 1
1 872 . 5 1 1 A 82 82 ASP N N 78 118.813 117.943 0.870 1
1 873 . 5 1 1 A 83 83 SER H H 79 7.886 7.822 0.064 1
1 874 . 5 1 1 A 83 83 SER HA H 79 4.164 4.190 -0.026 1
1 877 . 5 1 1 A 83 83 SER C C 79 176.171 177.569 -1.398 1
1 878 . 5 1 1 A 83 83 SER CA C 79 61.285 61.397 -0.112 1
1 879 . 5 1 1 A 83 83 SER CB C 79 62.632 62.930 -0.298 1
1 880 . 5 1 1 A 83 83 SER N N 79 113.338 114.938 -1.600 1
1 881 . 5 1 1 A 84 84 LEU H H 80 7.354 8.178 -0.824 1
1 882 . 5 1 1 A 84 84 LEU HA H 80 4.152 3.912 0.240 1
1 892 . 5 1 1 A 84 84 LEU C C 80 173.671 179.240 -5.569 1
1 893 . 5 1 1 A 84 84 LEU CA C 80 56.841 58.222 -1.381 1
1 894 . 5 1 1 A 84 84 LEU CB C 80 42.682 42.249 0.433 1
1 897 . 5 1 1 A 84 84 LEU N N 80 121.453 122.225 -0.772 1
1 898 . 5 1 1 A 85 85 LEU H H 81 7.655 8.720 -1.065 1
1 899 . 5 1 1 A 85 85 LEU HA H 81 4.113 3.801 0.312 1
1 909 . 5 1 1 A 85 85 LEU C C 81 177.333 179.048 -1.715 1
1 910 . 5 1 1 A 85 85 LEU CA C 81 55.748 58.167 -2.419 1
1 911 . 5 1 1 A 85 85 LEU CB C 81 41.707 41.618 0.089 1
1 914 . 5 1 1 A 85 85 LEU N N 81 115.497 118.278 -2.781 1
1 915 . 5 1 1 A 86 86 GLN H H 82 7.414 8.252 -0.838 1
1 916 . 5 1 1 A 86 86 GLN HA H 82 4.177 4.090 0.087 1
1 923 . 5 1 1 A 86 86 GLN C C 82 175.537 177.713 -2.176 1
1 924 . 5 1 1 A 86 86 GLN CA C 82 56.986 58.378 -1.392 1
1 925 . 5 1 1 A 86 86 GLN CB C 82 29.187 29.008 0.179 1
1 928 . 5 1 1 A 86 86 GLN N N 82 117.020 117.830 -0.810 1
1 930 . 5 1 1 A 87 87 ASP H H 83 8.092 7.927 0.165 1
1 931 . 5 1 1 A 87 87 ASP HA H 83 4.672 4.460 0.212 1
1 934 . 5 1 1 A 87 87 ASP C C 83 177.263 178.414 -1.151 1
1 935 . 5 1 1 A 87 87 ASP CA C 83 54.394 56.978 -2.584 1
1 936 . 5 1 1 A 87 87 ASP CB C 83 40.722 41.210 -0.488 1
1 937 . 5 1 1 A 87 87 ASP N N 83 119.072 119.822 -0.750 1
1 938 . 5 1 1 A 88 88 VAL H H 84 7.692 8.403 -0.711 1
1 939 . 5 1 1 A 88 88 VAL HA H 84 4.175 3.875 0.300 1
1 947 . 5 1 1 A 88 88 VAL C C 84 174.164 178.066 -3.902 1
1 948 . 5 1 1 A 88 88 VAL CA C 84 62.165 65.575 -3.410 1
1 949 . 5 1 1 A 88 88 VAL CB C 84 32.284 31.409 0.875 1
1 952 . 5 1 1 A 88 88 VAL N N 84 118.778 117.481 1.297 1
1 1 . 6 1 1 A 2 2 PRO C C -2 177.005 176.612 0.393 1
1 2 . 6 1 1 A 2 2 PRO CA C -2 63.481 63.215 0.266 1
1 3 . 6 1 1 A 2 2 PRO CB C -2 32.244 31.681 0.563 1
1 4 . 6 1 1 A 3 3 GLY H H -1 8.665 8.087 0.578 1
1 5 . 6 1 1 A 3 3 GLY HA2 H -1 3.985 4.166 -0.181 1
1 6 . 6 1 1 A 3 3 GLY HA3 H -1 3.985 4.174 -0.189 1
1 7 . 6 1 1 A 3 3 GLY C C -1 173.706 171.654 2.052 1
1 8 . 6 1 1 A 3 3 GLY CA C -1 45.291 45.926 -0.635 1
1 9 . 6 1 1 A 3 3 GLY N N -1 109.788 108.862 0.926 1
1 10 . 6 1 1 A 4 4 SER H H 0 8.190 8.565 -0.375 1
1 11 . 6 1 1 A 4 4 SER HA H 0 4.477 5.224 -0.747 1
1 14 . 6 1 1 A 4 4 SER C C 0 175.738 173.572 2.166 1
1 15 . 6 1 1 A 4 4 SER CA C 0 58.322 57.976 0.346 1
1 16 . 6 1 1 A 4 4 SER CB C 0 63.927 63.999 -0.072 1
1 17 . 6 1 1 A 4 4 SER N N 0 115.613 120.104 -4.491 1
1 18 . 6 1 1 A 5 5 MET H H 1 8.458 8.530 -0.072 1
1 19 . 6 1 1 A 5 5 MET HA H 1 4.320 5.103 -0.783 1
1 27 . 6 1 1 A 5 5 MET C C 1 173.977 174.772 -0.795 1
1 28 . 6 1 1 A 5 5 MET CA C 1 56.011 54.489 1.522 1
1 29 . 6 1 1 A 5 5 MET CB C 1 33.797 37.527 -3.730 1
1 30 . 6 1 1 A 5 5 MET N N 1 122.334 124.257 -1.923 1
1 31 . 6 1 1 A 6 6 LYS H H 2 8.445 8.301 0.144 1
1 32 . 6 1 1 A 6 6 LYS HA H 2 4.566 5.005 -0.439 1
1 39 . 6 1 1 A 6 6 LYS C C 2 174.575 175.083 -0.508 1
1 40 . 6 1 1 A 6 6 LYS CA C 2 55.887 54.423 1.464 1
1 41 . 6 1 1 A 6 6 LYS CB C 2 33.848 36.837 -2.989 1
1 42 . 6 1 1 A 6 6 LYS N N 2 122.229 120.897 1.332 1
1 43 . 6 1 1 A 7 7 GLU H H 3 8.324 8.879 -0.555 1
1 44 . 6 1 1 A 7 7 GLU HA H 3 4.440 5.015 -0.575 1
1 49 . 6 1 1 A 7 7 GLU C C 3 175.491 174.019 1.472 1
1 50 . 6 1 1 A 7 7 GLU CA C 3 55.680 54.615 1.065 1
1 51 . 6 1 1 A 7 7 GLU CB C 3 31.513 33.395 -1.882 1
1 52 . 6 1 1 A 7 7 GLU N N 3 121.539 117.823 3.716 1
1 53 . 6 1 1 A 8 8 ILE H H 4 9.014 8.967 0.047 1
1 54 . 6 1 1 A 8 8 ILE HA H 4 5.025 5.062 -0.037 1
1 64 . 6 1 1 A 8 8 ILE C C 4 174.199 173.805 0.394 1
1 65 . 6 1 1 A 8 8 ILE CA C 4 60.927 59.722 1.205 1
1 66 . 6 1 1 A 8 8 ILE CB C 4 38.759 41.093 -2.334 1
1 69 . 6 1 1 A 8 8 ILE N N 4 127.255 123.937 3.318 1
1 70 . 6 1 1 A 9 9 ILE H H 5 9.104 9.226 -0.122 1
1 71 . 6 1 1 A 9 9 ILE HA H 5 4.900 4.871 0.029 1
1 81 . 6 1 1 A 9 9 ILE C C 5 173.906 174.926 -1.020 1
1 82 . 6 1 1 A 9 9 ILE CA C 5 59.727 59.892 -0.165 1
1 83 . 6 1 1 A 9 9 ILE CB C 5 41.627 42.239 -0.612 1
1 87 . 6 1 1 A 9 9 ILE N N 5 128.326 128.885 -0.559 1
1 88 . 6 1 1 A 10 10 LEU H H 6 8.891 9.088 -0.197 1
1 89 . 6 1 1 A 10 10 LEU HA H 6 5.157 5.231 -0.074 1
1 96 . 6 1 1 A 10 10 LEU CA C 6 54.076 53.359 0.717 1
1 97 . 6 1 1 A 10 10 LEU CB C 6 44.892 44.322 0.570 1
1 100 . 6 1 1 A 10 10 LEU N N 6 125.779 126.147 -0.368 1
1 101 . 6 1 1 A 11 11 TYR H H 7 9.099 9.098 0.001 1
1 102 . 6 1 1 A 11 11 TYR HA H 7 4.336 5.261 -0.925 1
1 109 . 6 1 1 A 11 11 TYR C C 7 177.041 175.447 1.594 1
1 110 . 6 1 1 A 11 11 TYR CA C 7 57.379 56.840 0.539 1
1 111 . 6 1 1 A 11 11 TYR CB C 7 40.345 39.403 0.942 1
1 112 . 6 1 1 A 12 12 THR H H 8 9.286 8.616 0.670 1
1 113 . 6 1 1 A 12 12 THR HA H 8 5.105 4.989 0.116 1
1 118 . 6 1 1 A 12 12 THR C C 8 172.005 173.171 -1.166 1
1 119 . 6 1 1 A 12 12 THR CA C 8 60.604 61.053 -0.449 1
1 120 . 6 1 1 A 12 12 THR CB C 8 73.108 71.013 2.095 1
1 122 . 6 1 1 A 12 12 THR N N 8 111.938 115.019 -3.081 1
1 123 . 6 1 1 A 13 13 ARG H H 9 7.513 8.566 -1.053 1
1 124 . 6 1 1 A 13 13 ARG HA H 9 4.826 4.813 0.013 1
1 131 . 6 1 1 A 13 13 ARG CA C 9 52.836 54.241 -1.405 1
1 132 . 6 1 1 A 13 13 ARG CB C 9 31.436 30.954 0.482 1
1 133 . 6 1 1 A 13 13 ARG N N 9 114.036 120.624 -6.588 1
1 134 . 6 1 1 A 14 14 PRO HA H 10 4.294 4.549 -0.255 1
1 141 . 6 1 1 A 14 14 PRO C C 10 176.477 176.247 0.230 1
1 142 . 6 1 1 A 14 14 PRO CA C 10 63.464 64.220 -0.756 1
1 143 . 6 1 1 A 14 14 PRO CB C 10 32.615 31.618 0.997 1
1 144 . 6 1 1 A 15 15 ASN H H 11 8.987 8.334 0.653 1
1 145 . 6 1 1 A 15 15 ASN HA H 11 4.240 4.950 -0.710 1
1 150 . 6 1 1 A 15 15 ASN C C 11 176.266 173.730 2.536 1
1 151 . 6 1 1 A 15 15 ASN CA C 11 54.464 52.409 2.055 1
1 152 . 6 1 1 A 15 15 ASN CB C 11 37.500 38.835 -1.335 1
1 154 . 6 1 1 A 15 15 ASN N N 11 115.463 116.264 -0.801 1
1 156 . 6 1 1 A 16 16 CYS H H 12 7.324 7.945 -0.621 1
1 157 . 6 1 1 A 16 16 CYS HA H 12 4.931 5.091 -0.160 1
1 160 . 6 1 1 A 16 16 CYS CA C 12 56.277 56.677 -0.400 1
1 161 . 6 1 1 A 16 16 CYS N N 12 123.174 118.247 4.927 1
1 162 . 6 1 1 A 17 17 PRO C C 13 178.555 177.137 1.418 1
1 163 . 6 1 1 A 17 17 PRO CA C 13 64.409 64.088 0.321 1
1 164 . 6 1 1 A 17 17 PRO CB C 13 33.538 31.668 1.870 1
1 165 . 6 1 1 A 18 18 TYR H H 14 9.325 7.846 1.479 1
1 166 . 6 1 1 A 18 18 TYR HA H 14 4.404 4.338 0.066 1
1 173 . 6 1 1 A 18 18 TYR CA C 14 60.921 60.200 0.721 1
1 174 . 6 1 1 A 18 18 TYR N N 14 127.149 115.694 11.455 1
1 175 . 6 1 1 A 19 19 CYS H H 15 9.687 8.524 1.163 1
1 176 . 6 1 1 A 19 19 CYS HA H 15 4.725 4.349 0.376 1
1 177 . 6 1 1 A 19 19 CYS C C 15 174.998 176.894 -1.896 1
1 178 . 6 1 1 A 19 19 CYS CA C 15 64.573 61.779 2.794 1
1 179 . 6 1 1 A 19 19 CYS CB C 15 29.227 27.140 2.087 1
1 180 . 6 1 1 A 19 19 CYS N N 15 127.652 119.575 8.077 1
1 181 . 6 1 1 A 20 20 LYS H H 16 7.706 7.610 0.096 1
1 182 . 6 1 1 A 20 20 LYS HA H 16 3.946 3.849 0.097 1
1 191 . 6 1 1 A 20 20 LYS C C 16 177.252 178.476 -1.224 1
1 192 . 6 1 1 A 20 20 LYS CA C 16 59.857 59.400 0.457 1
1 193 . 6 1 1 A 20 20 LYS CB C 16 32.542 32.230 0.312 1
1 194 . 6 1 1 A 20 20 LYS N N 16 119.200 121.635 -2.435 1
1 195 . 6 1 1 A 21 21 ARG H H 17 7.839 8.286 -0.447 1
1 196 . 6 1 1 A 21 21 ARG HA H 17 4.176 4.088 0.088 1
1 203 . 6 1 1 A 21 21 ARG C C 17 179.858 178.858 1.000 1
1 204 . 6 1 1 A 21 21 ARG CA C 17 59.647 59.227 0.420 1
1 205 . 6 1 1 A 21 21 ARG CB C 17 30.340 30.124 0.216 1
1 206 . 6 1 1 A 21 21 ARG N N 17 117.964 119.563 -1.599 1
1 207 . 6 1 1 A 22 22 ALA H H 18 8.084 8.114 -0.030 1
1 208 . 6 1 1 A 22 22 ALA HA H 18 4.168 4.096 0.072 1
1 212 . 6 1 1 A 22 22 ALA C C 18 177.322 179.596 -2.274 1
1 213 . 6 1 1 A 22 22 ALA CA C 18 55.859 55.467 0.392 1
1 214 . 6 1 1 A 22 22 ALA CB C 18 19.047 18.357 0.690 1
1 215 . 6 1 1 A 22 22 ALA N N 18 124.839 121.828 3.011 1
1 216 . 6 1 1 A 23 23 ARG H H 19 7.811 8.027 -0.216 1
1 217 . 6 1 1 A 23 23 ARG HA H 19 3.320 3.566 -0.246 1
1 224 . 6 1 1 A 23 23 ARG C C 19 177.217 177.964 -0.747 1
1 225 . 6 1 1 A 23 23 ARG CA C 19 60.780 58.599 2.181 1
1 226 . 6 1 1 A 23 23 ARG CB C 19 30.828 29.686 1.142 1
1 227 . 6 1 1 A 23 23 ARG N N 19 116.980 117.226 -0.246 1
1 228 . 6 1 1 A 24 24 ASP H H 20 8.710 7.913 0.797 1
1 229 . 6 1 1 A 24 24 ASP HA H 20 4.299 4.404 -0.105 1
1 232 . 6 1 1 A 24 24 ASP C C 20 178.625 178.331 0.294 1
1 233 . 6 1 1 A 24 24 ASP CA C 20 57.477 57.097 0.380 1
1 234 . 6 1 1 A 24 24 ASP CB C 20 40.551 41.174 -0.623 1
1 235 . 6 1 1 A 24 24 ASP N N 20 116.717 120.188 -3.471 1
1 236 . 6 1 1 A 25 25 LEU H H 21 7.114 7.928 -0.814 1
1 237 . 6 1 1 A 25 25 LEU HA H 21 4.131 4.082 0.049 1
1 246 . 6 1 1 A 25 25 LEU C C 21 177.580 178.467 -0.887 1
1 247 . 6 1 1 A 25 25 LEU CA C 21 57.857 58.415 -0.558 1
1 248 . 6 1 1 A 25 25 LEU CB C 21 41.654 41.724 -0.070 1
1 251 . 6 1 1 A 25 25 LEU N N 21 119.808 120.684 -0.876 1
1 252 . 6 1 1 A 26 26 LEU H H 22 7.294 8.173 -0.879 1
1 253 . 6 1 1 A 26 26 LEU HA H 22 3.767 3.865 -0.098 1
1 262 . 6 1 1 A 26 26 LEU C C 22 178.696 178.617 0.079 1
1 263 . 6 1 1 A 26 26 LEU CA C 22 58.107 58.138 -0.031 1
1 264 . 6 1 1 A 26 26 LEU CB C 22 40.750 41.727 -0.977 1
1 267 . 6 1 1 A 26 26 LEU N N 22 117.901 118.906 -1.005 1
1 268 . 6 1 1 A 27 27 ASP H H 23 9.446 8.288 1.158 1
1 269 . 6 1 1 A 27 27 ASP HA H 23 4.608 4.457 0.151 1
1 272 . 6 1 1 A 27 27 ASP C C 23 180.104 178.624 1.480 1
1 273 . 6 1 1 A 27 27 ASP CA C 23 57.406 57.739 -0.333 1
1 274 . 6 1 1 A 27 27 ASP CB C 23 39.839 42.228 -2.389 1
1 275 . 6 1 1 A 27 27 ASP N N 23 119.946 118.584 1.362 1
1 276 . 6 1 1 A 28 28 LYS H H 24 7.915 8.064 -0.149 1
1 277 . 6 1 1 A 28 28 LYS HA H 24 4.079 4.197 -0.118 1
1 286 . 6 1 1 A 28 28 LYS C C 24 178.414 179.426 -1.012 1
1 287 . 6 1 1 A 28 28 LYS CA C 24 59.295 59.263 0.032 1
1 288 . 6 1 1 A 28 28 LYS CB C 24 32.342 32.363 -0.021 1
1 289 . 6 1 1 A 28 28 LYS N N 24 122.484 119.035 3.449 1
1 290 . 6 1 1 A 29 29 LYS H H 25 7.763 7.757 0.006 1
1 291 . 6 1 1 A 29 29 LYS HA H 25 4.195 4.202 -0.007 1
1 300 . 6 1 1 A 29 29 LYS C C 25 176.583 176.942 -0.359 1
1 301 . 6 1 1 A 29 29 LYS CA C 25 56.122 56.782 -0.660 1
1 302 . 6 1 1 A 29 29 LYS CB C 25 32.771 32.849 -0.078 1
1 303 . 6 1 1 A 29 29 LYS N N 25 116.683 117.216 -0.533 1
1 304 . 6 1 1 A 30 30 GLY H H 26 7.961 8.011 -0.050 1
1 305 . 6 1 1 A 30 30 GLY HA2 H 26 4.005 4.063 -0.058 1
1 306 . 6 1 1 A 30 30 GLY HA3 H 26 3.894 4.066 -0.172 1
1 307 . 6 1 1 A 30 30 GLY C C 26 174.223 174.036 0.187 1
1 308 . 6 1 1 A 30 30 GLY CA C 26 46.265 45.577 0.688 1
1 309 . 6 1 1 A 30 30 GLY N N 26 108.209 106.489 1.720 1
1 310 . 6 1 1 A 31 31 VAL H H 27 7.440 7.377 0.063 1
1 311 . 6 1 1 A 31 31 VAL HA H 27 4.355 4.868 -0.513 1
1 319 . 6 1 1 A 31 31 VAL C C 27 174.294 174.502 -0.208 1
1 320 . 6 1 1 A 31 31 VAL CA C 27 60.115 59.433 0.682 1
1 321 . 6 1 1 A 31 31 VAL CB C 27 33.737 35.494 -1.757 1
1 323 . 6 1 1 A 31 31 VAL N N 27 114.927 115.752 -0.825 1
1 324 . 6 1 1 A 32 32 LYS H H 28 8.408 8.599 -0.191 1
1 325 . 6 1 1 A 32 32 LYS HA H 28 4.268 4.861 -0.593 1
1 334 . 6 1 1 A 32 32 LYS C C 28 175.385 175.132 0.253 1
1 335 . 6 1 1 A 32 32 LYS CA C 28 55.441 55.033 0.408 1
1 336 . 6 1 1 A 32 32 LYS CB C 28 33.269 33.853 -0.584 1
1 337 . 6 1 1 A 32 32 LYS N N 28 124.540 120.854 3.686 1
1 338 . 6 1 1 A 33 33 TYR H H 29 7.451 8.629 -1.178 1
1 339 . 6 1 1 A 33 33 TYR HA H 29 5.149 5.922 -0.773 1
1 346 . 6 1 1 A 33 33 TYR C C 29 173.730 174.568 -0.838 1
1 347 . 6 1 1 A 33 33 TYR CA C 29 57.198 55.315 1.883 1
1 348 . 6 1 1 A 33 33 TYR CB C 29 41.499 41.530 -0.031 1
1 353 . 6 1 1 A 33 33 TYR N N 29 117.090 121.708 -4.618 1
1 354 . 6 1 1 A 34 34 THR H H 30 9.106 9.078 0.028 1
1 355 . 6 1 1 A 34 34 THR HA H 30 4.368 4.831 -0.463 1
1 360 . 6 1 1 A 34 34 THR C C 30 171.336 172.799 -1.463 1
1 361 . 6 1 1 A 34 34 THR CA C 30 62.096 61.855 0.241 1
1 362 . 6 1 1 A 34 34 THR CB C 30 70.603 69.715 0.888 1
1 364 . 6 1 1 A 34 34 THR N N 30 119.343 117.198 2.145 1
1 365 . 6 1 1 A 35 35 ASP H H 31 8.772 8.956 -0.184 1
1 366 . 6 1 1 A 35 35 ASP HA H 31 5.283 4.933 0.350 1
1 369 . 6 1 1 A 35 35 ASP C C 31 175.245 174.674 0.571 1
1 370 . 6 1 1 A 35 35 ASP CA C 31 52.549 53.529 -0.980 1
1 371 . 6 1 1 A 35 35 ASP CB C 31 42.286 41.376 0.910 1
1 372 . 6 1 1 A 35 35 ASP N N 31 129.184 127.886 1.298 1
1 373 . 6 1 1 A 36 36 ILE H H 32 9.283 8.986 0.297 1
1 374 . 6 1 1 A 36 36 ILE HA H 32 4.081 4.427 -0.346 1
1 384 . 6 1 1 A 36 36 ILE C C 32 175.854 175.554 0.300 1
1 385 . 6 1 1 A 36 36 ILE CA C 32 60.226 60.214 0.012 1
1 386 . 6 1 1 A 36 36 ILE CB C 32 39.998 38.463 1.535 1
1 388 . 6 1 1 A 36 36 ILE N N 32 129.240 127.356 1.884 1
1 389 . 6 1 1 A 37 37 ASP H H 33 8.298 8.815 -0.517 1
1 390 . 6 1 1 A 37 37 ASP HA H 33 4.648 4.576 0.072 1
1 393 . 6 1 1 A 37 37 ASP CA C 33 54.101 54.859 -0.758 1
1 394 . 6 1 1 A 37 37 ASP CB C 33 40.536 41.411 -0.875 1
1 395 . 6 1 1 A 37 37 ASP N N 33 125.570 128.083 -2.513 1
1 396 . 6 1 1 A 38 38 ALA H H 34 9.840 8.797 1.043 1
1 397 . 6 1 1 A 38 38 ALA HA H 34 4.620 4.115 0.505 1
1 401 . 6 1 1 A 38 38 ALA C C 34 175.185 177.583 -2.398 1
1 402 . 6 1 1 A 38 38 ALA CA C 34 51.239 54.685 -3.446 1
1 403 . 6 1 1 A 38 38 ALA CB C 34 20.627 18.535 2.092 1
1 404 . 6 1 1 A 38 38 ALA N N 34 134.980 124.779 10.201 1
1 405 . 6 1 1 A 39 39 SER H H 35 8.679 7.607 1.072 1
1 406 . 6 1 1 A 39 39 SER HA H 35 4.189 4.328 -0.139 1
1 409 . 6 1 1 A 39 39 SER C C 35 175.713 175.246 0.467 1
1 410 . 6 1 1 A 39 39 SER CA C 35 60.956 58.617 2.339 1
1 411 . 6 1 1 A 39 39 SER CB C 35 64.425 63.724 0.701 1
1 412 . 6 1 1 A 39 39 SER N N 35 111.865 114.899 -3.034 1
1 413 . 6 1 1 A 40 40 THR H H 36 8.438 8.808 -0.370 1
1 414 . 6 1 1 A 40 40 THR HA H 36 4.672 4.078 0.594 1
1 419 . 6 1 1 A 40 40 THR CA C 36 59.859 65.260 -5.401 1
1 421 . 6 1 1 A 40 40 THR N N 36 114.335 123.784 -9.449 1
1 422 . 6 1 1 A 41 41 SER C C 37 174.129 175.680 -1.551 1
1 423 . 6 1 1 A 41 41 SER CA C 37 60.964 61.093 -0.129 1
1 424 . 6 1 1 A 41 41 SER CB C 37 63.605 63.349 0.256 1
1 425 . 6 1 1 A 42 42 LEU H H 38 8.643 7.828 0.815 1
1 426 . 6 1 1 A 42 42 LEU HA H 38 4.679 4.409 0.270 1
1 436 . 6 1 1 A 42 42 LEU C C 38 176.347 177.912 -1.565 1
1 437 . 6 1 1 A 42 42 LEU CA C 38 54.842 55.822 -0.980 1
1 438 . 6 1 1 A 42 42 LEU CB C 38 41.117 43.651 -2.534 1
1 439 . 6 1 1 A 42 42 LEU N N 38 121.245 118.355 2.890 1
1 440 . 6 1 1 A 43 43 ARG H H 39 7.583 8.591 -1.008 1
1 441 . 6 1 1 A 43 43 ARG HA H 39 4.173 3.943 0.230 1
1 448 . 6 1 1 A 43 43 ARG C C 39 175.925 178.288 -2.363 1
1 449 . 6 1 1 A 43 43 ARG CA C 39 60.907 59.463 1.444 1
1 450 . 6 1 1 A 43 43 ARG N N 39 123.341 120.641 2.700 1
1 451 . 6 1 1 A 44 44 GLN H H 40 8.203 8.097 0.106 1
1 452 . 6 1 1 A 44 44 GLN HA H 40 3.974 3.985 -0.011 1
1 459 . 6 1 1 A 44 44 GLN C C 40 175.608 178.352 -2.744 1
1 460 . 6 1 1 A 44 44 GLN CA C 40 58.622 59.107 -0.485 1
1 461 . 6 1 1 A 44 44 GLN CB C 40 28.591 28.289 0.302 1
1 464 . 6 1 1 A 44 44 GLN N N 40 114.940 118.153 -3.213 1
1 466 . 6 1 1 A 45 45 GLU H H 41 7.616 7.950 -0.334 1
1 467 . 6 1 1 A 45 45 GLU HA H 41 3.947 4.061 -0.114 1
1 472 . 6 1 1 A 45 45 GLU CA C 41 59.009 59.432 -0.423 1
1 473 . 6 1 1 A 45 45 GLU CB C 41 30.110 29.310 0.800 1
1 474 . 6 1 1 A 45 45 GLU N N 41 120.916 119.797 1.119 1
1 475 . 6 1 1 A 46 46 MET H H 42 7.474 8.216 -0.742 1
1 476 . 6 1 1 A 46 46 MET HA H 42 4.778 4.186 0.592 1
1 483 . 6 1 1 A 46 46 MET C C 42 176.347 178.242 -1.895 1
1 484 . 6 1 1 A 46 46 MET CA C 42 59.567 58.089 1.478 1
1 485 . 6 1 1 A 46 46 MET CB C 42 30.294 33.212 -2.918 1
1 487 . 6 1 1 A 46 46 MET N N 42 118.736 119.521 -0.785 1
1 488 . 6 1 1 A 47 47 VAL H H 43 8.006 8.517 -0.511 1
1 489 . 6 1 1 A 47 47 VAL HA H 43 3.624 3.285 0.339 1
1 497 . 6 1 1 A 47 47 VAL C C 43 176.911 177.382 -0.471 1
1 498 . 6 1 1 A 47 47 VAL CA C 43 65.362 64.875 0.487 1
1 499 . 6 1 1 A 47 47 VAL CB C 43 31.859 30.488 1.371 1
1 501 . 6 1 1 A 47 47 VAL N N 43 116.804 118.887 -2.083 1
1 502 . 6 1 1 A 48 48 GLN H H 44 7.935 8.273 -0.338 1
1 503 . 6 1 1 A 48 48 GLN HA H 44 3.972 3.948 0.024 1
1 510 . 6 1 1 A 48 48 GLN C C 44 178.636 178.360 0.276 1
1 511 . 6 1 1 A 48 48 GLN CA C 44 58.472 58.430 0.042 1
1 512 . 6 1 1 A 48 48 GLN CB C 44 30.542 27.843 2.699 1
1 513 . 6 1 1 A 48 48 GLN N N 44 117.704 119.553 -1.849 1
1 515 . 6 1 1 A 49 49 ARG H H 45 8.100 7.804 0.296 1
1 516 . 6 1 1 A 49 49 ARG HA H 45 3.906 4.061 -0.155 1
1 521 . 6 1 1 A 49 49 ARG CA C 45 59.397 58.761 0.636 1
1 522 . 6 1 1 A 49 49 ARG CB C 45 29.993 29.704 0.289 1
1 523 . 6 1 1 A 49 49 ARG N N 45 120.984 120.108 0.876 1
1 524 . 6 1 1 A 50 50 ALA H H 46 8.279 7.545 0.734 1
1 525 . 6 1 1 A 50 50 ALA HA H 46 3.782 4.236 -0.454 1
1 529 . 6 1 1 A 50 50 ALA C C 46 178.073 179.030 -0.957 1
1 530 . 6 1 1 A 50 50 ALA CA C 46 51.408 53.780 -2.372 1
1 531 . 6 1 1 A 50 50 ALA CB C 46 18.883 18.883 0.000 1
1 532 . 6 1 1 A 50 50 ALA N N 46 118.254 121.596 -3.342 1
1 533 . 6 1 1 A 51 51 ASN H H 47 7.706 8.179 -0.473 1
1 534 . 6 1 1 A 51 51 ASN HA H 47 4.420 5.002 -0.582 1
1 539 . 6 1 1 A 51 51 ASN C C 47 174.974 175.456 -0.482 1
1 540 . 6 1 1 A 51 51 ASN CA C 47 54.303 54.309 -0.006 1
1 541 . 6 1 1 A 51 51 ASN CB C 47 37.804 39.913 -2.109 1
1 543 . 6 1 1 A 51 51 ASN N N 47 115.277 114.810 0.467 1
1 545 . 6 1 1 A 52 52 GLY H H 48 8.702 8.027 0.675 1
1 546 . 6 1 1 A 52 52 GLY HA2 H 48 4.267 4.020 0.247 1
1 547 . 6 1 1 A 52 52 GLY HA3 H 48 3.379 4.024 -0.645 1
1 548 . 6 1 1 A 52 52 GLY CA C 48 45.176 45.187 -0.011 1
1 549 . 6 1 1 A 52 52 GLY N N 48 104.035 107.275 -3.240 1
1 550 . 6 1 1 A 53 53 ARG H H 49 7.116 7.464 -0.348 1
1 551 . 6 1 1 A 53 53 ARG HA H 49 4.144 4.585 -0.441 1
1 558 . 6 1 1 A 53 53 ARG C C 49 176.101 174.694 1.407 1
1 559 . 6 1 1 A 53 53 ARG CA C 49 57.285 54.838 2.447 1
1 560 . 6 1 1 A 53 53 ARG N N 49 121.384 115.710 5.674 1
1 561 . 6 1 1 A 54 54 ASN H H 50 7.958 8.565 -0.607 1
1 562 . 6 1 1 A 54 54 ASN HA H 50 4.589 4.650 -0.061 1
1 567 . 6 1 1 A 54 54 ASN CA C 50 51.568 53.206 -1.638 1
1 568 . 6 1 1 A 54 54 ASN CB C 50 38.018 39.106 -1.088 1
1 570 . 6 1 1 A 54 54 ASN N N 50 116.546 118.666 -2.120 1
1 572 . 6 1 1 A 55 55 THR H H 51 6.818 8.581 -1.763 1
1 573 . 6 1 1 A 55 55 THR HA H 51 4.283 4.797 -0.514 1
1 578 . 6 1 1 A 55 55 THR C C 51 172.509 173.291 -0.782 1
1 579 . 6 1 1 A 55 55 THR CA C 51 59.829 60.457 -0.628 1
1 580 . 6 1 1 A 55 55 THR CB C 51 70.400 70.215 0.185 1
1 582 . 6 1 1 A 55 55 THR N N 51 108.070 112.145 -4.075 1
1 583 . 6 1 1 A 56 56 PHE H H 52 8.444 8.022 0.422 1
1 584 . 6 1 1 A 56 56 PHE HA H 52 4.730 4.595 0.135 1
1 592 . 6 1 1 A 56 56 PHE CA C 52 55.529 56.057 -0.528 1
1 593 . 6 1 1 A 56 56 PHE N N 52 116.926 120.141 -3.215 1
1 594 . 6 1 1 A 57 57 PRO CA C 53 62.827 63.061 -0.234 1
1 595 . 6 1 1 A 57 57 PRO CB C 53 35.258 33.373 1.885 1
1 596 . 6 1 1 A 58 58 GLN H H 54 8.070 8.726 -0.656 1
1 597 . 6 1 1 A 58 58 GLN HA H 54 4.853 4.921 -0.068 1
1 604 . 6 1 1 A 58 58 GLN C C 54 175.291 173.337 1.954 1
1 605 . 6 1 1 A 58 58 GLN CA C 54 55.071 55.286 -0.215 1
1 606 . 6 1 1 A 58 58 GLN CB C 54 32.237 30.963 1.274 1
1 607 . 6 1 1 A 58 58 GLN N N 54 113.697 116.433 -2.736 1
1 609 . 6 1 1 A 59 59 ILE H H 55 8.753 8.825 -0.072 1
1 610 . 6 1 1 A 59 59 ILE HA H 55 5.089 4.704 0.385 1
1 620 . 6 1 1 A 59 59 ILE C C 55 174.164 174.963 -0.799 1
1 621 . 6 1 1 A 59 59 ILE CA C 55 61.194 60.559 0.635 1
1 622 . 6 1 1 A 59 59 ILE CB C 55 40.657 38.897 1.760 1
1 625 . 6 1 1 A 59 59 ILE N N 55 122.202 121.634 0.568 1
1 626 . 6 1 1 A 60 60 PHE H H 56 9.564 9.255 0.309 1
1 627 . 6 1 1 A 60 60 PHE HA H 56 5.390 5.088 0.302 1
1 635 . 6 1 1 A 60 60 PHE C C 56 174.305 175.593 -1.288 1
1 636 . 6 1 1 A 60 60 PHE CA C 56 56.614 57.783 -1.169 1
1 637 . 6 1 1 A 60 60 PHE CB C 56 42.488 41.489 0.999 1
1 638 . 6 1 1 A 60 60 PHE N N 56 127.604 127.236 0.368 1
1 639 . 6 1 1 A 61 61 ILE H H 57 9.231 8.896 0.335 1
1 640 . 6 1 1 A 61 61 ILE HA H 57 4.483 4.824 -0.341 1
1 650 . 6 1 1 A 61 61 ILE C C 57 176.418 176.474 -0.056 1
1 651 . 6 1 1 A 61 61 ILE CA C 57 60.800 59.247 1.553 1
1 652 . 6 1 1 A 61 61 ILE CB C 57 39.431 40.906 -1.475 1
1 656 . 6 1 1 A 61 61 ILE N N 57 121.606 119.803 1.803 1
1 657 . 6 1 1 A 62 62 GLY H H 58 9.118 9.103 0.015 1
1 658 . 6 1 1 A 62 62 GLY HA2 H 58 4.092 3.916 0.176 1
1 659 . 6 1 1 A 62 62 GLY HA3 H 58 3.951 3.939 0.012 1
1 660 . 6 1 1 A 62 62 GLY C C 58 174.058 174.472 -0.414 1
1 661 . 6 1 1 A 62 62 GLY CA C 58 47.516 47.453 0.063 1
1 662 . 6 1 1 A 62 62 GLY N N 58 118.483 113.834 4.649 1
1 663 . 6 1 1 A 63 63 ASP H H 59 8.944 8.812 0.132 1
1 664 . 6 1 1 A 63 63 ASP HA H 59 4.762 4.904 -0.142 1
1 667 . 6 1 1 A 63 63 ASP C C 59 175.220 174.209 1.011 1
1 668 . 6 1 1 A 63 63 ASP CA C 59 54.467 53.824 0.643 1
1 669 . 6 1 1 A 63 63 ASP CB C 59 40.913 41.694 -0.781 1
1 670 . 6 1 1 A 63 63 ASP N N 59 125.981 126.105 -0.124 1
1 671 . 6 1 1 A 64 64 TYR H H 60 8.332 7.988 0.344 1
1 672 . 6 1 1 A 64 64 TYR HA H 60 4.600 4.783 -0.183 1
1 679 . 6 1 1 A 64 64 TYR C C 60 174.023 173.425 0.598 1
1 680 . 6 1 1 A 64 64 TYR CA C 60 57.761 57.946 -0.185 1
1 681 . 6 1 1 A 64 64 TYR CB C 60 33.473 41.929 -8.456 1
1 682 . 6 1 1 A 64 64 TYR N N 60 122.443 121.362 1.081 1
1 683 . 6 1 1 A 65 65 HIS H H 61 8.625 7.391 1.234 1
1 684 . 6 1 1 A 65 65 HIS HA H 61 4.200 4.297 -0.097 1
1 689 . 6 1 1 A 65 65 HIS C C 61 171.910 174.708 -2.798 1
1 690 . 6 1 1 A 65 65 HIS CA C 61 53.347 53.036 0.311 1
1 691 . 6 1 1 A 65 65 HIS CB C 61 28.830 30.774 -1.944 1
1 692 . 6 1 1 A 65 65 HIS N N 61 129.863 121.170 8.693 1
1 693 . 6 1 1 A 66 66 VAL H H 62 8.059 8.544 -0.485 1
1 694 . 6 1 1 A 66 66 VAL HA H 62 3.316 3.575 -0.259 1
1 702 . 6 1 1 A 66 66 VAL CA C 62 64.194 64.742 -0.548 1
1 703 . 6 1 1 A 66 66 VAL CB C 62 32.770 32.170 0.600 1
1 705 . 6 1 1 A 66 66 VAL N N 62 129.219 123.355 5.864 1
1 706 . 6 1 1 A 67 67 GLY H H 63 6.327 7.668 -1.341 1
1 707 . 6 1 1 A 67 67 GLY HA2 H 63 4.503 4.157 0.346 1
1 708 . 6 1 1 A 67 67 GLY HA3 H 63 2.870 4.202 -1.332 1
1 709 . 6 1 1 A 67 67 GLY C C 63 172.156 174.575 -2.419 1
1 710 . 6 1 1 A 67 67 GLY CA C 63 43.551 45.730 -2.179 1
1 711 . 6 1 1 A 67 67 GLY N N 63 102.548 106.847 -4.299 1
1 712 . 6 1 1 A 68 68 GLY H H 64 9.095 8.296 0.799 1
1 713 . 6 1 1 A 68 68 GLY HA2 H 64 4.863 4.120 0.743 1
1 714 . 6 1 1 A 68 68 GLY HA3 H 64 3.821 4.139 -0.318 1
1 715 . 6 1 1 A 68 68 GLY C C 64 172.509 174.914 -2.405 1
1 716 . 6 1 1 A 68 68 GLY CA C 64 43.870 44.083 -0.213 1
1 717 . 6 1 1 A 68 68 GLY N N 64 110.080 109.103 0.977 1
1 718 . 6 1 1 A 69 69 CYS H H 65 8.398 9.115 -0.717 1
1 719 . 6 1 1 A 69 69 CYS HA H 65 3.846 4.226 -0.380 1
1 722 . 6 1 1 A 69 69 CYS C C 65 173.741 176.839 -3.098 1
1 723 . 6 1 1 A 69 69 CYS CA C 65 62.944 61.682 1.262 1
1 724 . 6 1 1 A 69 69 CYS CB C 65 45.022 27.038 17.984 1
1 725 . 6 1 1 A 69 69 CYS N N 65 118.292 119.064 -0.772 1
1 726 . 6 1 1 A 70 70 ASP H H 66 9.110 8.372 0.738 1
1 727 . 6 1 1 A 70 70 ASP HA H 66 5.745 4.347 1.398 1
1 730 . 6 1 1 A 70 70 ASP C C 66 178.777 178.279 0.498 1
1 731 . 6 1 1 A 70 70 ASP CA C 66 57.437 56.640 0.797 1
1 732 . 6 1 1 A 70 70 ASP CB C 66 40.016 39.737 0.279 1
1 733 . 6 1 1 A 70 70 ASP N N 66 123.178 119.944 3.234 1
1 734 . 6 1 1 A 71 71 ASP H H 67 7.301 8.259 -0.958 1
1 735 . 6 1 1 A 71 71 ASP HA H 67 4.362 4.303 0.059 1
1 738 . 6 1 1 A 71 71 ASP C C 67 177.474 178.436 -0.962 1
1 739 . 6 1 1 A 71 71 ASP CA C 67 57.381 57.816 -0.435 1
1 740 . 6 1 1 A 71 71 ASP CB C 67 41.503 41.854 -0.351 1
1 741 . 6 1 1 A 71 71 ASP N N 67 119.848 120.251 -0.403 1
1 742 . 6 1 1 A 72 72 LEU H H 68 7.805 7.497 0.308 1
1 743 . 6 1 1 A 72 72 LEU HA H 68 3.822 4.043 -0.221 1
1 753 . 6 1 1 A 72 72 LEU C C 68 177.509 178.516 -1.007 1
1 754 . 6 1 1 A 72 72 LEU CA C 68 58.446 57.954 0.492 1
1 755 . 6 1 1 A 72 72 LEU CB C 68 42.524 41.502 1.022 1
1 757 . 6 1 1 A 72 72 LEU N N 68 121.720 117.926 3.794 1
1 758 . 6 1 1 A 73 73 TYR H H 69 8.229 8.336 -0.107 1
1 759 . 6 1 1 A 73 73 TYR HA H 69 3.772 4.330 -0.558 1
1 766 . 6 1 1 A 73 73 TYR C C 69 177.721 178.286 -0.565 1
1 767 . 6 1 1 A 73 73 TYR CA C 69 62.867 60.616 2.251 1
1 768 . 6 1 1 A 73 73 TYR CB C 69 38.215 37.934 0.281 1
1 769 . 6 1 1 A 73 73 TYR N N 69 116.501 120.076 -3.575 1
1 770 . 6 1 1 A 74 74 ALA H H 70 8.275 8.529 -0.254 1
1 771 . 6 1 1 A 74 74 ALA HA H 70 4.286 4.058 0.228 1
1 775 . 6 1 1 A 74 74 ALA C C 70 180.045 179.872 0.173 1
1 776 . 6 1 1 A 74 74 ALA CA C 70 55.701 55.284 0.417 1
1 777 . 6 1 1 A 74 74 ALA CB C 70 17.944 17.956 -0.012 1
1 778 . 6 1 1 A 74 74 ALA N N 70 122.883 121.745 1.138 1
1 779 . 6 1 1 A 75 75 LEU H H 71 7.558 8.199 -0.641 1
1 780 . 6 1 1 A 75 75 LEU HA H 71 3.975 3.866 0.109 1
1 790 . 6 1 1 A 75 75 LEU C C 71 179.024 178.833 0.191 1
1 791 . 6 1 1 A 75 75 LEU CA C 71 57.994 58.312 -0.318 1
1 792 . 6 1 1 A 75 75 LEU CB C 71 42.836 41.843 0.993 1
1 793 . 6 1 1 A 75 75 LEU N N 71 117.133 118.871 -1.738 1
1 794 . 6 1 1 A 76 76 GLU H H 72 7.587 8.782 -1.195 1
1 795 . 6 1 1 A 76 76 GLU HA H 72 4.473 4.024 0.449 1
1 800 . 6 1 1 A 76 76 GLU C C 72 179.270 178.685 0.585 1
1 801 . 6 1 1 A 76 76 GLU CA C 72 58.296 58.575 -0.279 1
1 802 . 6 1 1 A 76 76 GLU CB C 72 28.457 28.614 -0.157 1
1 803 . 6 1 1 A 76 76 GLU N N 72 121.576 117.656 3.920 1
1 804 . 6 1 1 A 77 77 ASN H H 73 8.863 7.745 1.118 1
1 805 . 6 1 1 A 77 77 ASN HA H 73 4.511 4.522 -0.011 1
1 810 . 6 1 1 A 77 77 ASN C C 73 176.664 177.038 -0.374 1
1 811 . 6 1 1 A 77 77 ASN CA C 73 55.944 55.412 0.532 1
1 812 . 6 1 1 A 77 77 ASN CB C 73 38.660 38.584 0.076 1
1 814 . 6 1 1 A 77 77 ASN N N 73 120.232 118.876 1.356 1
1 816 . 6 1 1 A 78 78 LYS H H 74 7.617 7.643 -0.026 1
1 817 . 6 1 1 A 78 78 LYS HA H 74 4.426 4.285 0.141 1
1 826 . 6 1 1 A 78 78 LYS C C 74 176.312 176.450 -0.138 1
1 827 . 6 1 1 A 78 78 LYS CA C 74 55.863 56.277 -0.414 1
1 828 . 6 1 1 A 78 78 LYS CB C 74 33.482 33.093 0.389 1
1 829 . 6 1 1 A 78 78 LYS N N 74 115.597 116.405 -0.808 1
1 830 . 6 1 1 A 79 79 GLY H H 75 8.023 7.607 0.416 1
1 831 . 6 1 1 A 79 79 GLY HA2 H 75 4.060 4.015 0.045 1
1 832 . 6 1 1 A 79 79 GLY HA3 H 75 4.060 4.018 0.042 1
1 833 . 6 1 1 A 79 79 GLY C C 75 175.009 175.625 -0.616 1
1 834 . 6 1 1 A 79 79 GLY CA C 75 46.234 45.075 1.159 1
1 835 . 6 1 1 A 79 79 GLY N N 75 109.073 105.603 3.470 1
1 836 . 6 1 1 A 80 80 LYS H H 76 8.091 8.367 -0.276 1
1 837 . 6 1 1 A 80 80 LYS HA H 76 4.422 4.375 0.047 1
1 846 . 6 1 1 A 80 80 LYS C C 76 173.037 177.207 -4.170 1
1 847 . 6 1 1 A 80 80 LYS CA C 76 55.679 56.632 -0.953 1
1 848 . 6 1 1 A 80 80 LYS CB C 76 35.038 32.667 2.371 1
1 849 . 6 1 1 A 80 80 LYS N N 76 116.888 120.355 -3.467 1
1 850 . 6 1 1 A 81 81 LEU H H 77 7.411 7.652 -0.241 1
1 851 . 6 1 1 A 81 81 LEU HA H 77 4.003 3.939 0.064 1
1 861 . 6 1 1 A 81 81 LEU C C 77 177.333 177.890 -0.557 1
1 862 . 6 1 1 A 81 81 LEU CA C 77 57.512 57.836 -0.324 1
1 863 . 6 1 1 A 81 81 LEU CB C 77 40.676 41.366 -0.690 1
1 864 . 6 1 1 A 81 81 LEU N N 77 122.079 121.950 0.129 1
1 865 . 6 1 1 A 82 82 ASP H H 78 8.613 8.550 0.063 1
1 866 . 6 1 1 A 82 82 ASP HA H 78 4.232 4.344 -0.112 1
1 869 . 6 1 1 A 82 82 ASP C C 78 178.354 178.662 -0.308 1
1 870 . 6 1 1 A 82 82 ASP CA C 78 58.438 56.757 1.681 1
1 871 . 6 1 1 A 82 82 ASP CB C 78 39.890 40.462 -0.572 1
1 872 . 6 1 1 A 82 82 ASP N N 78 118.813 118.253 0.560 1
1 873 . 6 1 1 A 83 83 SER H H 79 7.886 7.866 0.020 1
1 874 . 6 1 1 A 83 83 SER HA H 79 4.164 4.268 -0.104 1
1 877 . 6 1 1 A 83 83 SER C C 79 176.171 177.520 -1.349 1
1 878 . 6 1 1 A 83 83 SER CA C 79 61.285 61.326 -0.041 1
1 879 . 6 1 1 A 83 83 SER CB C 79 62.632 62.943 -0.311 1
1 880 . 6 1 1 A 83 83 SER N N 79 113.338 114.951 -1.613 1
1 881 . 6 1 1 A 84 84 LEU H H 80 7.354 8.146 -0.792 1
1 882 . 6 1 1 A 84 84 LEU HA H 80 4.152 3.986 0.166 1
1 892 . 6 1 1 A 84 84 LEU C C 80 173.671 179.258 -5.587 1
1 893 . 6 1 1 A 84 84 LEU CA C 80 56.841 58.246 -1.405 1
1 894 . 6 1 1 A 84 84 LEU CB C 80 42.682 41.389 1.293 1
1 897 . 6 1 1 A 84 84 LEU N N 80 121.453 121.776 -0.323 1
1 898 . 6 1 1 A 85 85 LEU H H 81 7.655 8.520 -0.865 1
1 899 . 6 1 1 A 85 85 LEU HA H 81 4.113 4.004 0.109 1
1 909 . 6 1 1 A 85 85 LEU C C 81 177.333 179.617 -2.284 1
1 910 . 6 1 1 A 85 85 LEU CA C 81 55.748 58.082 -2.334 1
1 911 . 6 1 1 A 85 85 LEU CB C 81 41.707 41.111 0.596 1
1 914 . 6 1 1 A 85 85 LEU N N 81 115.497 119.068 -3.571 1
1 915 . 6 1 1 A 86 86 GLN H H 82 7.414 8.272 -0.858 1
1 916 . 6 1 1 A 86 86 GLN HA H 82 4.177 4.119 0.058 1
1 923 . 6 1 1 A 86 86 GLN C C 82 175.537 178.086 -2.549 1
1 924 . 6 1 1 A 86 86 GLN CA C 82 56.986 58.834 -1.848 1
1 925 . 6 1 1 A 86 86 GLN CB C 82 29.187 28.430 0.757 1
1 928 . 6 1 1 A 86 86 GLN N N 82 117.020 117.665 -0.645 1
1 930 . 6 1 1 A 87 87 ASP H H 83 8.092 7.902 0.190 1
1 931 . 6 1 1 A 87 87 ASP HA H 83 4.672 4.585 0.087 1
1 934 . 6 1 1 A 87 87 ASP C C 83 177.263 178.578 -1.315 1
1 935 . 6 1 1 A 87 87 ASP CA C 83 54.394 56.460 -2.066 1
1 936 . 6 1 1 A 87 87 ASP CB C 83 40.722 41.126 -0.404 1
1 937 . 6 1 1 A 87 87 ASP N N 83 119.072 120.075 -1.003 1
1 938 . 6 1 1 A 88 88 VAL H H 84 7.692 8.100 -0.408 1
1 939 . 6 1 1 A 88 88 VAL HA H 84 4.175 3.861 0.314 1
1 947 . 6 1 1 A 88 88 VAL C C 84 174.164 177.818 -3.654 1
1 948 . 6 1 1 A 88 88 VAL CA C 84 62.165 65.540 -3.375 1
1 949 . 6 1 1 A 88 88 VAL CB C 84 32.284 31.496 0.788 1
1 952 . 6 1 1 A 88 88 VAL N N 84 118.778 115.621 3.157 1
1 1 . 7 1 1 A 2 2 PRO C C -2 177.005 177.520 -0.515 1
1 2 . 7 1 1 A 2 2 PRO CA C -2 63.481 63.762 -0.281 1
1 3 . 7 1 1 A 2 2 PRO CB C -2 32.244 31.292 0.952 1
1 4 . 7 1 1 A 3 3 GLY H H -1 8.665 8.697 -0.032 1
1 5 . 7 1 1 A 3 3 GLY HA2 H -1 3.985 4.081 -0.096 1
1 6 . 7 1 1 A 3 3 GLY HA3 H -1 3.985 4.088 -0.103 1
1 7 . 7 1 1 A 3 3 GLY C C -1 173.706 173.399 0.307 1
1 8 . 7 1 1 A 3 3 GLY CA C -1 45.291 45.310 -0.019 1
1 9 . 7 1 1 A 3 3 GLY N N -1 109.788 113.280 -3.492 1
1 10 . 7 1 1 A 4 4 SER H H 0 8.190 8.097 0.093 1
1 11 . 7 1 1 A 4 4 SER HA H 0 4.477 5.122 -0.645 1
1 14 . 7 1 1 A 4 4 SER C C 0 175.738 172.872 2.866 1
1 15 . 7 1 1 A 4 4 SER CA C 0 58.322 56.693 1.629 1
1 16 . 7 1 1 A 4 4 SER CB C 0 63.927 65.320 -1.393 1
1 17 . 7 1 1 A 4 4 SER N N 0 115.613 119.661 -4.048 1
1 18 . 7 1 1 A 5 5 MET H H 1 8.458 8.994 -0.536 1
1 19 . 7 1 1 A 5 5 MET HA H 1 4.320 5.135 -0.815 1
1 27 . 7 1 1 A 5 5 MET C C 1 173.977 175.406 -1.429 1
1 28 . 7 1 1 A 5 5 MET CA C 1 56.011 53.824 2.187 1
1 29 . 7 1 1 A 5 5 MET CB C 1 33.797 35.459 -1.662 1
1 30 . 7 1 1 A 5 5 MET N N 1 122.334 125.827 -3.493 1
1 31 . 7 1 1 A 6 6 LYS H H 2 8.445 8.484 -0.039 1
1 32 . 7 1 1 A 6 6 LYS HA H 2 4.566 4.794 -0.228 1
1 39 . 7 1 1 A 6 6 LYS C C 2 174.575 175.645 -1.070 1
1 40 . 7 1 1 A 6 6 LYS CA C 2 55.887 54.710 1.177 1
1 41 . 7 1 1 A 6 6 LYS CB C 2 33.848 34.880 -1.032 1
1 42 . 7 1 1 A 6 6 LYS N N 2 122.229 121.504 0.725 1
1 43 . 7 1 1 A 7 7 GLU H H 3 8.324 9.090 -0.766 1
1 44 . 7 1 1 A 7 7 GLU HA H 3 4.440 5.038 -0.598 1
1 49 . 7 1 1 A 7 7 GLU C C 3 175.491 173.918 1.573 1
1 50 . 7 1 1 A 7 7 GLU CA C 3 55.680 54.642 1.038 1
1 51 . 7 1 1 A 7 7 GLU CB C 3 31.513 33.443 -1.930 1
1 52 . 7 1 1 A 7 7 GLU N N 3 121.539 117.177 4.362 1
1 53 . 7 1 1 A 8 8 ILE H H 4 9.014 8.934 0.080 1
1 54 . 7 1 1 A 8 8 ILE HA H 4 5.025 5.231 -0.206 1
1 64 . 7 1 1 A 8 8 ILE C C 4 174.199 173.765 0.434 1
1 65 . 7 1 1 A 8 8 ILE CA C 4 60.927 59.515 1.412 1
1 66 . 7 1 1 A 8 8 ILE CB C 4 38.759 41.012 -2.253 1
1 69 . 7 1 1 A 8 8 ILE N N 4 127.255 122.961 4.294 1
1 70 . 7 1 1 A 9 9 ILE H H 5 9.104 9.262 -0.158 1
1 71 . 7 1 1 A 9 9 ILE HA H 5 4.900 5.095 -0.195 1
1 81 . 7 1 1 A 9 9 ILE C C 5 173.906 175.240 -1.334 1
1 82 . 7 1 1 A 9 9 ILE CA C 5 59.727 59.464 0.263 1
1 83 . 7 1 1 A 9 9 ILE CB C 5 41.627 41.775 -0.148 1
1 87 . 7 1 1 A 9 9 ILE N N 5 128.326 128.769 -0.443 1
1 88 . 7 1 1 A 10 10 LEU H H 6 8.891 8.998 -0.107 1
1 89 . 7 1 1 A 10 10 LEU HA H 6 5.157 5.284 -0.127 1
1 96 . 7 1 1 A 10 10 LEU CA C 6 54.076 53.512 0.564 1
1 97 . 7 1 1 A 10 10 LEU CB C 6 44.892 44.339 0.553 1
1 100 . 7 1 1 A 10 10 LEU N N 6 125.779 124.605 1.174 1
1 101 . 7 1 1 A 11 11 TYR H H 7 9.099 9.246 -0.147 1
1 102 . 7 1 1 A 11 11 TYR HA H 7 4.336 5.279 -0.943 1
1 109 . 7 1 1 A 11 11 TYR C C 7 177.041 175.748 1.293 1
1 110 . 7 1 1 A 11 11 TYR CA C 7 57.379 56.740 0.639 1
1 111 . 7 1 1 A 11 11 TYR CB C 7 40.345 39.764 0.581 1
1 112 . 7 1 1 A 12 12 THR H H 8 9.286 8.776 0.510 1
1 113 . 7 1 1 A 12 12 THR HA H 8 5.105 4.756 0.349 1
1 118 . 7 1 1 A 12 12 THR C C 8 172.005 172.628 -0.623 1
1 119 . 7 1 1 A 12 12 THR CA C 8 60.604 60.392 0.212 1
1 120 . 7 1 1 A 12 12 THR CB C 8 73.108 69.711 3.397 1
1 122 . 7 1 1 A 12 12 THR N N 8 111.938 117.044 -5.106 1
1 123 . 7 1 1 A 13 13 ARG H H 9 7.513 8.531 -1.018 1
1 124 . 7 1 1 A 13 13 ARG HA H 9 4.826 4.814 0.012 1
1 131 . 7 1 1 A 13 13 ARG CA C 9 52.836 54.228 -1.392 1
1 132 . 7 1 1 A 13 13 ARG CB C 9 31.436 30.959 0.477 1
1 133 . 7 1 1 A 13 13 ARG N N 9 114.036 123.027 -8.991 1
1 134 . 7 1 1 A 14 14 PRO HA H 10 4.294 4.527 -0.233 1
1 141 . 7 1 1 A 14 14 PRO C C 10 176.477 177.322 -0.845 1
1 142 . 7 1 1 A 14 14 PRO CA C 10 63.464 64.554 -1.090 1
1 143 . 7 1 1 A 14 14 PRO CB C 10 32.615 31.784 0.831 1
1 144 . 7 1 1 A 15 15 ASN H H 11 8.987 8.575 0.412 1
1 145 . 7 1 1 A 15 15 ASN HA H 11 4.240 4.800 -0.560 1
1 150 . 7 1 1 A 15 15 ASN C C 11 176.266 174.651 1.615 1
1 151 . 7 1 1 A 15 15 ASN CA C 11 54.464 52.487 1.977 1
1 152 . 7 1 1 A 15 15 ASN CB C 11 37.500 37.767 -0.267 1
1 154 . 7 1 1 A 15 15 ASN N N 11 115.463 113.710 1.753 1
1 156 . 7 1 1 A 16 16 CYS H H 12 7.324 7.562 -0.238 1
1 157 . 7 1 1 A 16 16 CYS HA H 12 4.931 4.942 -0.011 1
1 160 . 7 1 1 A 16 16 CYS CA C 12 56.277 55.817 0.460 1
1 161 . 7 1 1 A 16 16 CYS N N 12 123.174 119.371 3.803 1
1 162 . 7 1 1 A 17 17 PRO C C 13 178.555 177.522 1.033 1
1 163 . 7 1 1 A 17 17 PRO CA C 13 64.409 64.674 -0.265 1
1 164 . 7 1 1 A 17 17 PRO CB C 13 33.538 31.946 1.592 1
1 165 . 7 1 1 A 18 18 TYR H H 14 9.325 7.992 1.333 1
1 166 . 7 1 1 A 18 18 TYR HA H 14 4.404 4.402 0.002 1
1 173 . 7 1 1 A 18 18 TYR CA C 14 60.921 60.068 0.853 1
1 174 . 7 1 1 A 18 18 TYR N N 14 127.149 116.342 10.807 1
1 175 . 7 1 1 A 19 19 CYS H H 15 9.687 7.852 1.835 1
1 176 . 7 1 1 A 19 19 CYS HA H 15 4.725 4.605 0.120 1
1 177 . 7 1 1 A 19 19 CYS C C 15 174.998 177.115 -2.117 1
1 178 . 7 1 1 A 19 19 CYS CA C 15 64.573 61.999 2.574 1
1 179 . 7 1 1 A 19 19 CYS CB C 15 29.227 26.295 2.932 1
1 180 . 7 1 1 A 19 19 CYS N N 15 127.652 119.506 8.146 1
1 181 . 7 1 1 A 20 20 LYS H H 16 7.706 7.938 -0.232 1
1 182 . 7 1 1 A 20 20 LYS HA H 16 3.946 3.969 -0.023 1
1 191 . 7 1 1 A 20 20 LYS C C 16 177.252 179.577 -2.325 1
1 192 . 7 1 1 A 20 20 LYS CA C 16 59.857 59.906 -0.049 1
1 193 . 7 1 1 A 20 20 LYS CB C 16 32.542 32.268 0.274 1
1 194 . 7 1 1 A 20 20 LYS N N 16 119.200 120.484 -1.284 1
1 195 . 7 1 1 A 21 21 ARG H H 17 7.839 8.030 -0.191 1
1 196 . 7 1 1 A 21 21 ARG HA H 17 4.176 4.013 0.163 1
1 203 . 7 1 1 A 21 21 ARG C C 17 179.858 179.018 0.840 1
1 204 . 7 1 1 A 21 21 ARG CA C 17 59.647 59.166 0.481 1
1 205 . 7 1 1 A 21 21 ARG CB C 17 30.340 29.707 0.633 1
1 206 . 7 1 1 A 21 21 ARG N N 17 117.964 119.758 -1.794 1
1 207 . 7 1 1 A 22 22 ALA H H 18 8.084 8.335 -0.251 1
1 208 . 7 1 1 A 22 22 ALA HA H 18 4.168 4.312 -0.144 1
1 212 . 7 1 1 A 22 22 ALA C C 18 177.322 179.556 -2.234 1
1 213 . 7 1 1 A 22 22 ALA CA C 18 55.859 55.482 0.377 1
1 214 . 7 1 1 A 22 22 ALA CB C 18 19.047 18.392 0.655 1
1 215 . 7 1 1 A 22 22 ALA N N 18 124.839 121.871 2.968 1
1 216 . 7 1 1 A 23 23 ARG H H 19 7.811 7.998 -0.187 1
1 217 . 7 1 1 A 23 23 ARG HA H 19 3.320 3.659 -0.339 1
1 224 . 7 1 1 A 23 23 ARG C C 19 177.217 177.982 -0.765 1
1 225 . 7 1 1 A 23 23 ARG CA C 19 60.780 58.832 1.948 1
1 226 . 7 1 1 A 23 23 ARG CB C 19 30.828 30.059 0.769 1
1 227 . 7 1 1 A 23 23 ARG N N 19 116.980 117.184 -0.204 1
1 228 . 7 1 1 A 24 24 ASP H H 20 8.710 7.994 0.716 1
1 229 . 7 1 1 A 24 24 ASP HA H 20 4.299 4.399 -0.100 1
1 232 . 7 1 1 A 24 24 ASP C C 20 178.625 178.261 0.364 1
1 233 . 7 1 1 A 24 24 ASP CA C 20 57.477 57.017 0.460 1
1 234 . 7 1 1 A 24 24 ASP CB C 20 40.551 41.008 -0.457 1
1 235 . 7 1 1 A 24 24 ASP N N 20 116.717 119.948 -3.231 1
1 236 . 7 1 1 A 25 25 LEU H H 21 7.114 7.889 -0.775 1
1 237 . 7 1 1 A 25 25 LEU HA H 21 4.131 4.054 0.077 1
1 246 . 7 1 1 A 25 25 LEU C C 21 177.580 178.514 -0.934 1
1 247 . 7 1 1 A 25 25 LEU CA C 21 57.857 58.488 -0.631 1
1 248 . 7 1 1 A 25 25 LEU CB C 21 41.654 41.942 -0.288 1
1 251 . 7 1 1 A 25 25 LEU N N 21 119.808 120.589 -0.781 1
1 252 . 7 1 1 A 26 26 LEU H H 22 7.294 8.077 -0.783 1
1 253 . 7 1 1 A 26 26 LEU HA H 22 3.767 3.865 -0.098 1
1 262 . 7 1 1 A 26 26 LEU C C 22 178.696 178.739 -0.043 1
1 263 . 7 1 1 A 26 26 LEU CA C 22 58.107 58.137 -0.030 1
1 264 . 7 1 1 A 26 26 LEU CB C 22 40.750 41.667 -0.917 1
1 267 . 7 1 1 A 26 26 LEU N N 22 117.901 118.944 -1.043 1
1 268 . 7 1 1 A 27 27 ASP H H 23 9.446 8.343 1.103 1
1 269 . 7 1 1 A 27 27 ASP HA H 23 4.608 4.377 0.231 1
1 272 . 7 1 1 A 27 27 ASP C C 23 180.104 178.609 1.495 1
1 273 . 7 1 1 A 27 27 ASP CA C 23 57.406 57.822 -0.416 1
1 274 . 7 1 1 A 27 27 ASP CB C 23 39.839 42.466 -2.627 1
1 275 . 7 1 1 A 27 27 ASP N N 23 119.946 118.580 1.366 1
1 276 . 7 1 1 A 28 28 LYS H H 24 7.915 8.199 -0.284 1
1 277 . 7 1 1 A 28 28 LYS HA H 24 4.079 3.990 0.089 1
1 286 . 7 1 1 A 28 28 LYS C C 24 178.414 179.026 -0.612 1
1 287 . 7 1 1 A 28 28 LYS CA C 24 59.295 59.357 -0.062 1
1 288 . 7 1 1 A 28 28 LYS CB C 24 32.342 32.217 0.125 1
1 289 . 7 1 1 A 28 28 LYS N N 24 122.484 119.410 3.074 1
1 290 . 7 1 1 A 29 29 LYS H H 25 7.763 7.550 0.213 1
1 291 . 7 1 1 A 29 29 LYS HA H 25 4.195 4.162 0.033 1
1 300 . 7 1 1 A 29 29 LYS C C 25 176.583 177.119 -0.536 1
1 301 . 7 1 1 A 29 29 LYS CA C 25 56.122 56.732 -0.610 1
1 302 . 7 1 1 A 29 29 LYS CB C 25 32.771 32.752 0.019 1
1 303 . 7 1 1 A 29 29 LYS N N 25 116.683 116.014 0.669 1
1 304 . 7 1 1 A 30 30 GLY H H 26 7.961 8.142 -0.181 1
1 305 . 7 1 1 A 30 30 GLY HA2 H 26 4.005 3.926 0.079 1
1 306 . 7 1 1 A 30 30 GLY HA3 H 26 3.894 3.963 -0.069 1
1 307 . 7 1 1 A 30 30 GLY C C 26 174.223 173.925 0.298 1
1 308 . 7 1 1 A 30 30 GLY CA C 26 46.265 46.424 -0.159 1
1 309 . 7 1 1 A 30 30 GLY N N 26 108.209 107.141 1.068 1
1 310 . 7 1 1 A 31 31 VAL H H 27 7.440 7.282 0.158 1
1 311 . 7 1 1 A 31 31 VAL HA H 27 4.355 4.888 -0.533 1
1 319 . 7 1 1 A 31 31 VAL C C 27 174.294 174.538 -0.244 1
1 320 . 7 1 1 A 31 31 VAL CA C 27 60.115 59.280 0.835 1
1 321 . 7 1 1 A 31 31 VAL CB C 27 33.737 36.041 -2.304 1
1 323 . 7 1 1 A 31 31 VAL N N 27 114.927 114.467 0.460 1
1 324 . 7 1 1 A 32 32 LYS H H 28 8.408 8.574 -0.166 1
1 325 . 7 1 1 A 32 32 LYS HA H 28 4.268 4.941 -0.673 1
1 334 . 7 1 1 A 32 32 LYS C C 28 175.385 175.302 0.083 1
1 335 . 7 1 1 A 32 32 LYS CA C 28 55.441 55.042 0.399 1
1 336 . 7 1 1 A 32 32 LYS CB C 28 33.269 34.101 -0.832 1
1 337 . 7 1 1 A 32 32 LYS N N 28 124.540 120.796 3.744 1
1 338 . 7 1 1 A 33 33 TYR H H 29 7.451 8.704 -1.253 1
1 339 . 7 1 1 A 33 33 TYR HA H 29 5.149 6.117 -0.968 1
1 346 . 7 1 1 A 33 33 TYR C C 29 173.730 174.582 -0.852 1
1 347 . 7 1 1 A 33 33 TYR CA C 29 57.198 55.132 2.066 1
1 348 . 7 1 1 A 33 33 TYR CB C 29 41.499 41.973 -0.474 1
1 353 . 7 1 1 A 33 33 TYR N N 29 117.090 121.488 -4.398 1
1 354 . 7 1 1 A 34 34 THR H H 30 9.106 9.071 0.035 1
1 355 . 7 1 1 A 34 34 THR HA H 30 4.368 4.805 -0.437 1
1 360 . 7 1 1 A 34 34 THR C C 30 171.336 172.781 -1.445 1
1 361 . 7 1 1 A 34 34 THR CA C 30 62.096 61.328 0.768 1
1 362 . 7 1 1 A 34 34 THR CB C 30 70.603 70.403 0.200 1
1 364 . 7 1 1 A 34 34 THR N N 30 119.343 116.452 2.891 1
1 365 . 7 1 1 A 35 35 ASP H H 31 8.772 9.095 -0.323 1
1 366 . 7 1 1 A 35 35 ASP HA H 31 5.283 5.003 0.280 1
1 369 . 7 1 1 A 35 35 ASP C C 31 175.245 174.884 0.361 1
1 370 . 7 1 1 A 35 35 ASP CA C 31 52.549 53.878 -1.329 1
1 371 . 7 1 1 A 35 35 ASP CB C 31 42.286 42.499 -0.213 1
1 372 . 7 1 1 A 35 35 ASP N N 31 129.184 127.720 1.464 1
1 373 . 7 1 1 A 36 36 ILE H H 32 9.283 9.116 0.167 1
1 374 . 7 1 1 A 36 36 ILE HA H 32 4.081 4.440 -0.359 1
1 384 . 7 1 1 A 36 36 ILE C C 32 175.854 175.458 0.396 1
1 385 . 7 1 1 A 36 36 ILE CA C 32 60.226 60.511 -0.285 1
1 386 . 7 1 1 A 36 36 ILE CB C 32 39.998 39.834 0.164 1
1 388 . 7 1 1 A 36 36 ILE N N 32 129.240 127.059 2.181 1
1 389 . 7 1 1 A 37 37 ASP H H 33 8.298 8.594 -0.296 1
1 390 . 7 1 1 A 37 37 ASP HA H 33 4.648 4.467 0.181 1
1 393 . 7 1 1 A 37 37 ASP CA C 33 54.101 55.006 -0.905 1
1 394 . 7 1 1 A 37 37 ASP CB C 33 40.536 42.419 -1.883 1
1 395 . 7 1 1 A 37 37 ASP N N 33 125.570 128.177 -2.607 1
1 396 . 7 1 1 A 38 38 ALA H H 34 9.840 8.708 1.132 1
1 397 . 7 1 1 A 38 38 ALA HA H 34 4.620 4.054 0.566 1
1 401 . 7 1 1 A 38 38 ALA C C 34 175.185 177.789 -2.604 1
1 402 . 7 1 1 A 38 38 ALA CA C 34 51.239 54.792 -3.553 1
1 403 . 7 1 1 A 38 38 ALA CB C 34 20.627 18.527 2.100 1
1 404 . 7 1 1 A 38 38 ALA N N 34 134.980 128.470 6.510 1
1 405 . 7 1 1 A 39 39 SER H H 35 8.679 7.577 1.102 1
1 406 . 7 1 1 A 39 39 SER HA H 35 4.189 4.322 -0.133 1
1 409 . 7 1 1 A 39 39 SER C C 35 175.713 175.579 0.134 1
1 410 . 7 1 1 A 39 39 SER CA C 35 60.956 58.665 2.291 1
1 411 . 7 1 1 A 39 39 SER CB C 35 64.425 64.156 0.269 1
1 412 . 7 1 1 A 39 39 SER N N 35 111.865 114.630 -2.765 1
1 413 . 7 1 1 A 40 40 THR H H 36 8.438 8.726 -0.288 1
1 414 . 7 1 1 A 40 40 THR HA H 36 4.672 3.925 0.747 1
1 419 . 7 1 1 A 40 40 THR CA C 36 59.859 65.370 -5.511 1
1 421 . 7 1 1 A 40 40 THR N N 36 114.335 121.281 -6.946 1
1 422 . 7 1 1 A 41 41 SER C C 37 174.129 175.560 -1.431 1
1 423 . 7 1 1 A 41 41 SER CA C 37 60.964 61.704 -0.740 1
1 424 . 7 1 1 A 41 41 SER CB C 37 63.605 62.610 0.995 1
1 425 . 7 1 1 A 42 42 LEU H H 38 8.643 7.653 0.990 1
1 426 . 7 1 1 A 42 42 LEU HA H 38 4.679 4.403 0.276 1
1 436 . 7 1 1 A 42 42 LEU C C 38 176.347 177.927 -1.580 1
1 437 . 7 1 1 A 42 42 LEU CA C 38 54.842 55.658 -0.816 1
1 438 . 7 1 1 A 42 42 LEU CB C 38 41.117 43.629 -2.512 1
1 439 . 7 1 1 A 42 42 LEU N N 38 121.245 119.963 1.282 1
1 440 . 7 1 1 A 43 43 ARG H H 39 7.583 8.484 -0.901 1
1 441 . 7 1 1 A 43 43 ARG HA H 39 4.173 3.973 0.200 1
1 448 . 7 1 1 A 43 43 ARG C C 39 175.925 178.302 -2.377 1
1 449 . 7 1 1 A 43 43 ARG CA C 39 60.907 59.926 0.981 1
1 450 . 7 1 1 A 43 43 ARG N N 39 123.341 120.631 2.710 1
1 451 . 7 1 1 A 44 44 GLN H H 40 8.203 8.062 0.141 1
1 452 . 7 1 1 A 44 44 GLN HA H 40 3.974 3.908 0.066 1
1 459 . 7 1 1 A 44 44 GLN C C 40 175.608 178.403 -2.795 1
1 460 . 7 1 1 A 44 44 GLN CA C 40 58.622 59.166 -0.544 1
1 461 . 7 1 1 A 44 44 GLN CB C 40 28.591 28.113 0.478 1
1 464 . 7 1 1 A 44 44 GLN N N 40 114.940 118.481 -3.541 1
1 466 . 7 1 1 A 45 45 GLU H H 41 7.616 8.034 -0.418 1
1 467 . 7 1 1 A 45 45 GLU HA H 41 3.947 4.016 -0.069 1
1 472 . 7 1 1 A 45 45 GLU CA C 41 59.009 59.352 -0.343 1
1 473 . 7 1 1 A 45 45 GLU CB C 41 30.110 29.869 0.241 1
1 474 . 7 1 1 A 45 45 GLU N N 41 120.916 119.389 1.527 1
1 475 . 7 1 1 A 46 46 MET H H 42 7.474 8.189 -0.715 1
1 476 . 7 1 1 A 46 46 MET HA H 42 4.778 4.172 0.606 1
1 483 . 7 1 1 A 46 46 MET C C 42 176.347 178.127 -1.780 1
1 484 . 7 1 1 A 46 46 MET CA C 42 59.567 58.126 1.441 1
1 485 . 7 1 1 A 46 46 MET CB C 42 30.294 33.250 -2.956 1
1 487 . 7 1 1 A 46 46 MET N N 42 118.736 119.285 -0.549 1
1 488 . 7 1 1 A 47 47 VAL H H 43 8.006 8.559 -0.553 1
1 489 . 7 1 1 A 47 47 VAL HA H 43 3.624 3.352 0.272 1
1 497 . 7 1 1 A 47 47 VAL C C 43 176.911 177.141 -0.230 1
1 498 . 7 1 1 A 47 47 VAL CA C 43 65.362 64.816 0.546 1
1 499 . 7 1 1 A 47 47 VAL CB C 43 31.859 30.578 1.281 1
1 501 . 7 1 1 A 47 47 VAL N N 43 116.804 118.630 -1.826 1
1 502 . 7 1 1 A 48 48 GLN H H 44 7.935 7.913 0.022 1
1 503 . 7 1 1 A 48 48 GLN HA H 44 3.972 3.836 0.136 1
1 510 . 7 1 1 A 48 48 GLN C C 44 178.636 177.789 0.847 1
1 511 . 7 1 1 A 48 48 GLN CA C 44 58.472 58.938 -0.466 1
1 512 . 7 1 1 A 48 48 GLN CB C 44 30.542 28.631 1.911 1
1 513 . 7 1 1 A 48 48 GLN N N 44 117.704 120.506 -2.802 1
1 515 . 7 1 1 A 49 49 ARG H H 45 8.100 8.087 0.013 1
1 516 . 7 1 1 A 49 49 ARG HA H 45 3.906 4.064 -0.158 1
1 521 . 7 1 1 A 49 49 ARG CA C 45 59.397 58.679 0.718 1
1 522 . 7 1 1 A 49 49 ARG CB C 45 29.993 29.815 0.178 1
1 523 . 7 1 1 A 49 49 ARG N N 45 120.984 119.629 1.355 1
1 524 . 7 1 1 A 50 50 ALA H H 46 8.279 7.524 0.755 1
1 525 . 7 1 1 A 50 50 ALA HA H 46 3.782 4.174 -0.392 1
1 529 . 7 1 1 A 50 50 ALA C C 46 178.073 179.084 -1.011 1
1 530 . 7 1 1 A 50 50 ALA CA C 46 51.408 54.154 -2.746 1
1 531 . 7 1 1 A 50 50 ALA CB C 46 18.883 18.625 0.258 1
1 532 . 7 1 1 A 50 50 ALA N N 46 118.254 121.960 -3.706 1
1 533 . 7 1 1 A 51 51 ASN H H 47 7.706 8.293 -0.587 1
1 534 . 7 1 1 A 51 51 ASN HA H 47 4.420 5.091 -0.671 1
1 539 . 7 1 1 A 51 51 ASN C C 47 174.974 175.619 -0.645 1
1 540 . 7 1 1 A 51 51 ASN CA C 47 54.303 54.480 -0.177 1
1 541 . 7 1 1 A 51 51 ASN CB C 47 37.804 40.497 -2.693 1
1 543 . 7 1 1 A 51 51 ASN N N 47 115.277 114.610 0.667 1
1 545 . 7 1 1 A 52 52 GLY H H 48 8.702 7.777 0.925 1
1 546 . 7 1 1 A 52 52 GLY HA2 H 48 4.267 4.019 0.248 1
1 547 . 7 1 1 A 52 52 GLY HA3 H 48 3.379 4.033 -0.654 1
1 548 . 7 1 1 A 52 52 GLY CA C 48 45.176 45.440 -0.264 1
1 549 . 7 1 1 A 52 52 GLY N N 48 104.035 107.491 -3.456 1
1 550 . 7 1 1 A 53 53 ARG H H 49 7.116 7.851 -0.735 1
1 551 . 7 1 1 A 53 53 ARG HA H 49 4.144 4.631 -0.487 1
1 558 . 7 1 1 A 53 53 ARG C C 49 176.101 173.851 2.250 1
1 559 . 7 1 1 A 53 53 ARG CA C 49 57.285 55.767 1.518 1
1 560 . 7 1 1 A 53 53 ARG N N 49 121.384 121.309 0.075 1
1 561 . 7 1 1 A 54 54 ASN H H 50 7.958 8.853 -0.895 1
1 562 . 7 1 1 A 54 54 ASN HA H 50 4.589 5.277 -0.688 1
1 567 . 7 1 1 A 54 54 ASN CA C 50 51.568 51.705 -0.137 1
1 568 . 7 1 1 A 54 54 ASN CB C 50 38.018 42.399 -4.381 1
1 570 . 7 1 1 A 54 54 ASN N N 50 116.546 123.298 -6.752 1
1 572 . 7 1 1 A 55 55 THR H H 51 6.818 8.588 -1.770 1
1 573 . 7 1 1 A 55 55 THR HA H 51 4.283 4.555 -0.272 1
1 578 . 7 1 1 A 55 55 THR C C 51 172.509 172.741 -0.232 1
1 579 . 7 1 1 A 55 55 THR CA C 51 59.829 60.875 -1.046 1
1 580 . 7 1 1 A 55 55 THR CB C 51 70.400 69.609 0.791 1
1 582 . 7 1 1 A 55 55 THR N N 51 108.070 117.371 -9.301 1
1 583 . 7 1 1 A 56 56 PHE H H 52 8.444 7.077 1.367 1
1 584 . 7 1 1 A 56 56 PHE HA H 52 4.730 5.142 -0.412 1
1 592 . 7 1 1 A 56 56 PHE CA C 52 55.529 55.338 0.191 1
1 593 . 7 1 1 A 56 56 PHE N N 52 116.926 120.033 -3.107 1
1 594 . 7 1 1 A 57 57 PRO CA C 53 62.827 63.112 -0.285 1
1 595 . 7 1 1 A 57 57 PRO CB C 53 35.258 32.176 3.082 1
1 596 . 7 1 1 A 58 58 GLN H H 54 8.070 8.538 -0.468 1
1 597 . 7 1 1 A 58 58 GLN HA H 54 4.853 4.971 -0.118 1
1 604 . 7 1 1 A 58 58 GLN C C 54 175.291 173.279 2.012 1
1 605 . 7 1 1 A 58 58 GLN CA C 54 55.071 55.073 -0.002 1
1 606 . 7 1 1 A 58 58 GLN CB C 54 32.237 31.093 1.144 1
1 607 . 7 1 1 A 58 58 GLN N N 54 113.697 116.814 -3.117 1
1 609 . 7 1 1 A 59 59 ILE H H 55 8.753 8.768 -0.015 1
1 610 . 7 1 1 A 59 59 ILE HA H 55 5.089 4.884 0.205 1
1 620 . 7 1 1 A 59 59 ILE C C 55 174.164 174.939 -0.775 1
1 621 . 7 1 1 A 59 59 ILE CA C 55 61.194 60.256 0.938 1
1 622 . 7 1 1 A 59 59 ILE CB C 55 40.657 38.850 1.807 1
1 625 . 7 1 1 A 59 59 ILE N N 55 122.202 121.371 0.831 1
1 626 . 7 1 1 A 60 60 PHE H H 56 9.564 9.516 0.048 1
1 627 . 7 1 1 A 60 60 PHE HA H 56 5.390 5.344 0.046 1
1 635 . 7 1 1 A 60 60 PHE C C 56 174.305 174.885 -0.580 1
1 636 . 7 1 1 A 60 60 PHE CA C 56 56.614 56.709 -0.095 1
1 637 . 7 1 1 A 60 60 PHE CB C 56 42.488 42.812 -0.324 1
1 638 . 7 1 1 A 60 60 PHE N N 56 127.604 128.095 -0.491 1
1 639 . 7 1 1 A 61 61 ILE H H 57 9.231 9.036 0.195 1
1 640 . 7 1 1 A 61 61 ILE HA H 57 4.483 4.905 -0.422 1
1 650 . 7 1 1 A 61 61 ILE C C 57 176.418 176.361 0.057 1
1 651 . 7 1 1 A 61 61 ILE CA C 57 60.800 59.438 1.362 1
1 652 . 7 1 1 A 61 61 ILE CB C 57 39.431 40.549 -1.118 1
1 656 . 7 1 1 A 61 61 ILE N N 57 121.606 119.871 1.735 1
1 657 . 7 1 1 A 62 62 GLY H H 58 9.118 9.194 -0.076 1
1 658 . 7 1 1 A 62 62 GLY HA2 H 58 4.092 3.935 0.157 1
1 659 . 7 1 1 A 62 62 GLY HA3 H 58 3.951 3.957 -0.006 1
1 660 . 7 1 1 A 62 62 GLY C C 58 174.058 174.403 -0.345 1
1 661 . 7 1 1 A 62 62 GLY CA C 58 47.516 47.488 0.028 1
1 662 . 7 1 1 A 62 62 GLY N N 58 118.483 115.000 3.483 1
1 663 . 7 1 1 A 63 63 ASP H H 59 8.944 8.581 0.363 1
1 664 . 7 1 1 A 63 63 ASP HA H 59 4.762 4.990 -0.228 1
1 667 . 7 1 1 A 63 63 ASP C C 59 175.220 174.227 0.993 1
1 668 . 7 1 1 A 63 63 ASP CA C 59 54.467 53.798 0.669 1
1 669 . 7 1 1 A 63 63 ASP CB C 59 40.913 42.192 -1.279 1
1 670 . 7 1 1 A 63 63 ASP N N 59 125.981 125.900 0.081 1
1 671 . 7 1 1 A 64 64 TYR H H 60 8.332 7.925 0.407 1
1 672 . 7 1 1 A 64 64 TYR HA H 60 4.600 4.829 -0.229 1
1 679 . 7 1 1 A 64 64 TYR C C 60 174.023 173.506 0.517 1
1 680 . 7 1 1 A 64 64 TYR CA C 60 57.761 56.483 1.278 1
1 681 . 7 1 1 A 64 64 TYR CB C 60 33.473 41.959 -8.486 1
1 682 . 7 1 1 A 64 64 TYR N N 60 122.443 121.380 1.063 1
1 683 . 7 1 1 A 65 65 HIS H H 61 8.625 7.567 1.058 1
1 684 . 7 1 1 A 65 65 HIS HA H 61 4.200 4.521 -0.321 1
1 689 . 7 1 1 A 65 65 HIS C C 61 171.910 174.819 -2.909 1
1 690 . 7 1 1 A 65 65 HIS CA C 61 53.347 53.087 0.260 1
1 691 . 7 1 1 A 65 65 HIS CB C 61 28.830 31.128 -2.298 1
1 692 . 7 1 1 A 65 65 HIS N N 61 129.863 122.457 7.406 1
1 693 . 7 1 1 A 66 66 VAL H H 62 8.059 8.726 -0.667 1
1 694 . 7 1 1 A 66 66 VAL HA H 62 3.316 3.562 -0.246 1
1 702 . 7 1 1 A 66 66 VAL CA C 62 64.194 64.917 -0.723 1
1 703 . 7 1 1 A 66 66 VAL CB C 62 32.770 32.257 0.513 1
1 705 . 7 1 1 A 66 66 VAL N N 62 129.219 123.022 6.197 1
1 706 . 7 1 1 A 67 67 GLY H H 63 6.327 7.834 -1.507 1
1 707 . 7 1 1 A 67 67 GLY HA2 H 63 4.503 4.070 0.433 1
1 708 . 7 1 1 A 67 67 GLY HA3 H 63 2.870 4.202 -1.332 1
1 709 . 7 1 1 A 67 67 GLY C C 63 172.156 174.171 -2.015 1
1 710 . 7 1 1 A 67 67 GLY CA C 63 43.551 45.300 -1.749 1
1 711 . 7 1 1 A 67 67 GLY N N 63 102.548 108.277 -5.729 1
1 712 . 7 1 1 A 68 68 GLY H H 64 9.095 8.085 1.010 1
1 713 . 7 1 1 A 68 68 GLY HA2 H 64 4.863 4.115 0.748 1
1 714 . 7 1 1 A 68 68 GLY HA3 H 64 3.821 4.132 -0.311 1
1 715 . 7 1 1 A 68 68 GLY C C 64 172.509 174.678 -2.169 1
1 716 . 7 1 1 A 68 68 GLY CA C 64 43.870 44.179 -0.309 1
1 717 . 7 1 1 A 68 68 GLY N N 64 110.080 107.761 2.319 1
1 718 . 7 1 1 A 69 69 CYS H H 65 8.398 9.253 -0.855 1
1 719 . 7 1 1 A 69 69 CYS HA H 65 3.846 3.890 -0.044 1
1 722 . 7 1 1 A 69 69 CYS C C 65 173.741 176.177 -2.436 1
1 723 . 7 1 1 A 69 69 CYS CA C 65 62.944 62.859 0.085 1
1 724 . 7 1 1 A 69 69 CYS CB C 65 45.022 27.436 17.586 1
1 725 . 7 1 1 A 69 69 CYS N N 65 118.292 120.885 -2.593 1
1 726 . 7 1 1 A 70 70 ASP H H 66 9.110 8.289 0.821 1
1 727 . 7 1 1 A 70 70 ASP HA H 66 5.745 4.637 1.108 1
1 730 . 7 1 1 A 70 70 ASP C C 66 178.777 178.848 -0.071 1
1 731 . 7 1 1 A 70 70 ASP CA C 66 57.437 57.203 0.234 1
1 732 . 7 1 1 A 70 70 ASP CB C 66 40.016 40.465 -0.449 1
1 733 . 7 1 1 A 70 70 ASP N N 66 123.178 121.440 1.738 1
1 734 . 7 1 1 A 71 71 ASP H H 67 7.301 8.013 -0.712 1
1 735 . 7 1 1 A 71 71 ASP HA H 67 4.362 4.403 -0.041 1
1 738 . 7 1 1 A 71 71 ASP C C 67 177.474 178.871 -1.397 1
1 739 . 7 1 1 A 71 71 ASP CA C 67 57.381 57.236 0.145 1
1 740 . 7 1 1 A 71 71 ASP CB C 67 41.503 41.105 0.398 1
1 741 . 7 1 1 A 71 71 ASP N N 67 119.848 120.965 -1.117 1
1 742 . 7 1 1 A 72 72 LEU H H 68 7.805 7.401 0.404 1
1 743 . 7 1 1 A 72 72 LEU HA H 68 3.822 3.974 -0.152 1
1 753 . 7 1 1 A 72 72 LEU C C 68 177.509 178.830 -1.321 1
1 754 . 7 1 1 A 72 72 LEU CA C 68 58.446 57.953 0.493 1
1 755 . 7 1 1 A 72 72 LEU CB C 68 42.524 40.932 1.592 1
1 757 . 7 1 1 A 72 72 LEU N N 68 121.720 117.818 3.902 1
1 758 . 7 1 1 A 73 73 TYR H H 69 8.229 7.611 0.618 1
1 759 . 7 1 1 A 73 73 TYR HA H 69 3.772 4.272 -0.500 1
1 766 . 7 1 1 A 73 73 TYR C C 69 177.721 178.515 -0.794 1
1 767 . 7 1 1 A 73 73 TYR CA C 69 62.867 60.304 2.563 1
1 768 . 7 1 1 A 73 73 TYR CB C 69 38.215 37.564 0.651 1
1 769 . 7 1 1 A 73 73 TYR N N 69 116.501 119.545 -3.044 1
1 770 . 7 1 1 A 74 74 ALA H H 70 8.275 8.700 -0.425 1
1 771 . 7 1 1 A 74 74 ALA HA H 70 4.286 4.105 0.181 1
1 775 . 7 1 1 A 74 74 ALA C C 70 180.045 179.941 0.104 1
1 776 . 7 1 1 A 74 74 ALA CA C 70 55.701 55.225 0.476 1
1 777 . 7 1 1 A 74 74 ALA CB C 70 17.944 18.356 -0.412 1
1 778 . 7 1 1 A 74 74 ALA N N 70 122.883 122.547 0.336 1
1 779 . 7 1 1 A 75 75 LEU H H 71 7.558 8.315 -0.757 1
1 780 . 7 1 1 A 75 75 LEU HA H 71 3.975 3.863 0.112 1
1 790 . 7 1 1 A 75 75 LEU C C 71 179.024 178.949 0.075 1
1 791 . 7 1 1 A 75 75 LEU CA C 71 57.994 58.214 -0.220 1
1 792 . 7 1 1 A 75 75 LEU CB C 71 42.836 41.692 1.144 1
1 793 . 7 1 1 A 75 75 LEU N N 71 117.133 118.122 -0.989 1
1 794 . 7 1 1 A 76 76 GLU H H 72 7.587 8.314 -0.727 1
1 795 . 7 1 1 A 76 76 GLU HA H 72 4.473 3.905 0.568 1
1 800 . 7 1 1 A 76 76 GLU C C 72 179.270 178.455 0.815 1
1 801 . 7 1 1 A 76 76 GLU CA C 72 58.296 60.006 -1.710 1
1 802 . 7 1 1 A 76 76 GLU CB C 72 28.457 29.128 -0.671 1
1 803 . 7 1 1 A 76 76 GLU N N 72 121.576 119.234 2.342 1
1 804 . 7 1 1 A 77 77 ASN H H 73 8.863 7.971 0.892 1
1 805 . 7 1 1 A 77 77 ASN HA H 73 4.511 4.510 0.001 1
1 810 . 7 1 1 A 77 77 ASN C C 73 176.664 177.175 -0.511 1
1 811 . 7 1 1 A 77 77 ASN CA C 73 55.944 55.560 0.384 1
1 812 . 7 1 1 A 77 77 ASN CB C 73 38.660 38.576 0.084 1
1 814 . 7 1 1 A 77 77 ASN N N 73 120.232 118.162 2.070 1
1 816 . 7 1 1 A 78 78 LYS H H 74 7.617 7.648 -0.031 1
1 817 . 7 1 1 A 78 78 LYS HA H 74 4.426 4.294 0.132 1
1 826 . 7 1 1 A 78 78 LYS C C 74 176.312 176.381 -0.069 1
1 827 . 7 1 1 A 78 78 LYS CA C 74 55.863 56.331 -0.468 1
1 828 . 7 1 1 A 78 78 LYS CB C 74 33.482 33.059 0.423 1
1 829 . 7 1 1 A 78 78 LYS N N 74 115.597 116.372 -0.775 1
1 830 . 7 1 1 A 79 79 GLY H H 75 8.023 7.635 0.388 1
1 831 . 7 1 1 A 79 79 GLY HA2 H 75 4.060 4.009 0.051 1
1 832 . 7 1 1 A 79 79 GLY HA3 H 75 4.060 4.012 0.048 1
1 833 . 7 1 1 A 79 79 GLY C C 75 175.009 175.412 -0.403 1
1 834 . 7 1 1 A 79 79 GLY CA C 75 46.234 45.295 0.939 1
1 835 . 7 1 1 A 79 79 GLY N N 75 109.073 105.582 3.491 1
1 836 . 7 1 1 A 80 80 LYS H H 76 8.091 8.469 -0.378 1
1 837 . 7 1 1 A 80 80 LYS HA H 76 4.422 4.254 0.168 1
1 846 . 7 1 1 A 80 80 LYS C C 76 173.037 178.131 -5.094 1
1 847 . 7 1 1 A 80 80 LYS CA C 76 55.679 57.379 -1.700 1
1 848 . 7 1 1 A 80 80 LYS CB C 76 35.038 32.345 2.693 1
1 849 . 7 1 1 A 80 80 LYS N N 76 116.888 122.312 -5.424 1
1 850 . 7 1 1 A 81 81 LEU H H 77 7.411 7.975 -0.564 1
1 851 . 7 1 1 A 81 81 LEU HA H 77 4.003 3.982 0.021 1
1 861 . 7 1 1 A 81 81 LEU C C 77 177.333 177.836 -0.503 1
1 862 . 7 1 1 A 81 81 LEU CA C 77 57.512 58.056 -0.544 1
1 863 . 7 1 1 A 81 81 LEU CB C 77 40.676 41.516 -0.840 1
1 864 . 7 1 1 A 81 81 LEU N N 77 122.079 121.396 0.683 1
1 865 . 7 1 1 A 82 82 ASP H H 78 8.613 8.123 0.490 1
1 866 . 7 1 1 A 82 82 ASP HA H 78 4.232 4.289 -0.057 1
1 869 . 7 1 1 A 82 82 ASP C C 78 178.354 177.921 0.433 1
1 870 . 7 1 1 A 82 82 ASP CA C 78 58.438 57.784 0.654 1
1 871 . 7 1 1 A 82 82 ASP CB C 78 39.890 41.709 -1.819 1
1 872 . 7 1 1 A 82 82 ASP N N 78 118.813 119.468 -0.655 1
1 873 . 7 1 1 A 83 83 SER H H 79 7.886 7.863 0.023 1
1 874 . 7 1 1 A 83 83 SER HA H 79 4.164 4.168 -0.004 1
1 877 . 7 1 1 A 83 83 SER C C 79 176.171 177.485 -1.314 1
1 878 . 7 1 1 A 83 83 SER CA C 79 61.285 61.477 -0.192 1
1 879 . 7 1 1 A 83 83 SER CB C 79 62.632 63.103 -0.471 1
1 880 . 7 1 1 A 83 83 SER N N 79 113.338 113.778 -0.440 1
1 881 . 7 1 1 A 84 84 LEU H H 80 7.354 8.282 -0.928 1
1 882 . 7 1 1 A 84 84 LEU HA H 80 4.152 4.025 0.127 1
1 892 . 7 1 1 A 84 84 LEU C C 80 173.671 179.521 -5.850 1
1 893 . 7 1 1 A 84 84 LEU CA C 80 56.841 58.003 -1.162 1
1 894 . 7 1 1 A 84 84 LEU CB C 80 42.682 41.570 1.112 1
1 897 . 7 1 1 A 84 84 LEU N N 80 121.453 121.583 -0.130 1
1 898 . 7 1 1 A 85 85 LEU H H 81 7.655 8.126 -0.471 1
1 899 . 7 1 1 A 85 85 LEU HA H 81 4.113 3.996 0.117 1
1 909 . 7 1 1 A 85 85 LEU C C 81 177.333 178.733 -1.400 1
1 910 . 7 1 1 A 85 85 LEU CA C 81 55.748 58.014 -2.266 1
1 911 . 7 1 1 A 85 85 LEU CB C 81 41.707 41.950 -0.243 1
1 914 . 7 1 1 A 85 85 LEU N N 81 115.497 120.432 -4.935 1
1 915 . 7 1 1 A 86 86 GLN H H 82 7.414 8.301 -0.887 1
1 916 . 7 1 1 A 86 86 GLN HA H 82 4.177 4.123 0.054 1
1 923 . 7 1 1 A 86 86 GLN C C 82 175.537 177.418 -1.881 1
1 924 . 7 1 1 A 86 86 GLN CA C 82 56.986 58.635 -1.649 1
1 925 . 7 1 1 A 86 86 GLN CB C 82 29.187 28.949 0.238 1
1 928 . 7 1 1 A 86 86 GLN N N 82 117.020 117.815 -0.795 1
1 930 . 7 1 1 A 87 87 ASP H H 83 8.092 7.887 0.205 1
1 931 . 7 1 1 A 87 87 ASP HA H 83 4.672 4.581 0.091 1
1 934 . 7 1 1 A 87 87 ASP C C 83 177.263 178.692 -1.429 1
1 935 . 7 1 1 A 87 87 ASP CA C 83 54.394 56.561 -2.167 1
1 936 . 7 1 1 A 87 87 ASP CB C 83 40.722 41.119 -0.397 1
1 937 . 7 1 1 A 87 87 ASP N N 83 119.072 118.616 0.456 1
1 938 . 7 1 1 A 88 88 VAL H H 84 7.692 8.271 -0.579 1
1 939 . 7 1 1 A 88 88 VAL HA H 84 4.175 3.992 0.183 1
1 947 . 7 1 1 A 88 88 VAL C C 84 174.164 177.181 -3.017 1
1 948 . 7 1 1 A 88 88 VAL CA C 84 62.165 65.284 -3.119 1
1 949 . 7 1 1 A 88 88 VAL CB C 84 32.284 31.499 0.785 1
1 952 . 7 1 1 A 88 88 VAL N N 84 118.778 115.119 3.659 1
1 1 . 8 1 1 A 2 2 PRO C C -2 177.005 176.135 0.870 1
1 2 . 8 1 1 A 2 2 PRO CA C -2 63.481 62.533 0.948 1
1 3 . 8 1 1 A 2 2 PRO CB C -2 32.244 33.332 -1.088 1
1 4 . 8 1 1 A 3 3 GLY H H -1 8.665 8.294 0.371 1
1 5 . 8 1 1 A 3 3 GLY HA2 H -1 3.985 4.272 -0.287 1
1 6 . 8 1 1 A 3 3 GLY HA3 H -1 3.985 4.275 -0.290 1
1 7 . 8 1 1 A 3 3 GLY C C -1 173.706 171.890 1.816 1
1 8 . 8 1 1 A 3 3 GLY CA C -1 45.291 45.573 -0.282 1
1 9 . 8 1 1 A 3 3 GLY N N -1 109.788 106.537 3.251 1
1 10 . 8 1 1 A 4 4 SER H H 0 8.190 8.692 -0.502 1
1 11 . 8 1 1 A 4 4 SER HA H 0 4.477 5.389 -0.912 1
1 14 . 8 1 1 A 4 4 SER C C 0 175.738 173.850 1.888 1
1 15 . 8 1 1 A 4 4 SER CA C 0 58.322 57.752 0.570 1
1 16 . 8 1 1 A 4 4 SER CB C 0 63.927 66.126 -2.199 1
1 17 . 8 1 1 A 4 4 SER N N 0 115.613 116.738 -1.125 1
1 18 . 8 1 1 A 5 5 MET H H 1 8.458 8.490 -0.032 1
1 19 . 8 1 1 A 5 5 MET HA H 1 4.320 4.838 -0.518 1
1 27 . 8 1 1 A 5 5 MET C C 1 173.977 175.907 -1.930 1
1 28 . 8 1 1 A 5 5 MET CA C 1 56.011 54.615 1.396 1
1 29 . 8 1 1 A 5 5 MET CB C 1 33.797 33.122 0.675 1
1 30 . 8 1 1 A 5 5 MET N N 1 122.334 119.181 3.153 1
1 31 . 8 1 1 A 6 6 LYS H H 2 8.445 7.803 0.642 1
1 32 . 8 1 1 A 6 6 LYS HA H 2 4.566 5.130 -0.564 1
1 39 . 8 1 1 A 6 6 LYS C C 2 174.575 175.352 -0.777 1
1 40 . 8 1 1 A 6 6 LYS CA C 2 55.887 55.074 0.813 1
1 41 . 8 1 1 A 6 6 LYS CB C 2 33.848 35.021 -1.173 1
1 42 . 8 1 1 A 6 6 LYS N N 2 122.229 118.036 4.193 1
1 43 . 8 1 1 A 7 7 GLU H H 3 8.324 9.127 -0.803 1
1 44 . 8 1 1 A 7 7 GLU HA H 3 4.440 5.127 -0.687 1
1 49 . 8 1 1 A 7 7 GLU C C 3 175.491 173.942 1.549 1
1 50 . 8 1 1 A 7 7 GLU CA C 3 55.680 54.585 1.095 1
1 51 . 8 1 1 A 7 7 GLU CB C 3 31.513 33.612 -2.099 1
1 52 . 8 1 1 A 7 7 GLU N N 3 121.539 121.205 0.334 1
1 53 . 8 1 1 A 8 8 ILE H H 4 9.014 8.998 0.016 1
1 54 . 8 1 1 A 8 8 ILE HA H 4 5.025 5.142 -0.117 1
1 64 . 8 1 1 A 8 8 ILE C C 4 174.199 174.027 0.172 1
1 65 . 8 1 1 A 8 8 ILE CA C 4 60.927 59.741 1.186 1
1 66 . 8 1 1 A 8 8 ILE CB C 4 38.759 41.081 -2.322 1
1 69 . 8 1 1 A 8 8 ILE N N 4 127.255 123.653 3.602 1
1 70 . 8 1 1 A 9 9 ILE H H 5 9.104 9.324 -0.220 1
1 71 . 8 1 1 A 9 9 ILE HA H 5 4.900 5.059 -0.159 1
1 81 . 8 1 1 A 9 9 ILE C C 5 173.906 174.913 -1.007 1
1 82 . 8 1 1 A 9 9 ILE CA C 5 59.727 59.498 0.229 1
1 83 . 8 1 1 A 9 9 ILE CB C 5 41.627 42.280 -0.653 1
1 87 . 8 1 1 A 9 9 ILE N N 5 128.326 128.880 -0.554 1
1 88 . 8 1 1 A 10 10 LEU H H 6 8.891 9.238 -0.347 1
1 89 . 8 1 1 A 10 10 LEU HA H 6 5.157 5.284 -0.127 1
1 96 . 8 1 1 A 10 10 LEU CA C 6 54.076 53.207 0.869 1
1 97 . 8 1 1 A 10 10 LEU CB C 6 44.892 43.414 1.478 1
1 100 . 8 1 1 A 10 10 LEU N N 6 125.779 125.948 -0.169 1
1 101 . 8 1 1 A 11 11 TYR H H 7 9.099 9.224 -0.125 1
1 102 . 8 1 1 A 11 11 TYR HA H 7 4.336 5.244 -0.908 1
1 109 . 8 1 1 A 11 11 TYR C C 7 177.041 175.428 1.613 1
1 110 . 8 1 1 A 11 11 TYR CA C 7 57.379 56.554 0.825 1
1 111 . 8 1 1 A 11 11 TYR CB C 7 40.345 39.588 0.757 1
1 112 . 8 1 1 A 12 12 THR H H 8 9.286 8.582 0.704 1
1 113 . 8 1 1 A 12 12 THR HA H 8 5.105 4.983 0.122 1
1 118 . 8 1 1 A 12 12 THR C C 8 172.005 173.215 -1.210 1
1 119 . 8 1 1 A 12 12 THR CA C 8 60.604 61.028 -0.424 1
1 120 . 8 1 1 A 12 12 THR CB C 8 73.108 70.811 2.297 1
1 122 . 8 1 1 A 12 12 THR N N 8 111.938 114.743 -2.805 1
1 123 . 8 1 1 A 13 13 ARG H H 9 7.513 8.553 -1.040 1
1 124 . 8 1 1 A 13 13 ARG HA H 9 4.826 4.797 0.029 1
1 131 . 8 1 1 A 13 13 ARG CA C 9 52.836 54.236 -1.400 1
1 132 . 8 1 1 A 13 13 ARG CB C 9 31.436 30.937 0.499 1
1 133 . 8 1 1 A 13 13 ARG N N 9 114.036 120.906 -6.870 1
1 134 . 8 1 1 A 14 14 PRO HA H 10 4.294 4.489 -0.195 1
1 141 . 8 1 1 A 14 14 PRO C C 10 176.477 177.174 -0.697 1
1 142 . 8 1 1 A 14 14 PRO CA C 10 63.464 64.221 -0.757 1
1 143 . 8 1 1 A 14 14 PRO CB C 10 32.615 31.631 0.984 1
1 144 . 8 1 1 A 15 15 ASN H H 11 8.987 8.165 0.822 1
1 145 . 8 1 1 A 15 15 ASN HA H 11 4.240 4.966 -0.726 1
1 150 . 8 1 1 A 15 15 ASN C C 11 176.266 174.204 2.062 1
1 151 . 8 1 1 A 15 15 ASN CA C 11 54.464 51.922 2.542 1
1 152 . 8 1 1 A 15 15 ASN CB C 11 37.500 37.542 -0.042 1
1 154 . 8 1 1 A 15 15 ASN N N 11 115.463 115.327 0.136 1
1 156 . 8 1 1 A 16 16 CYS H H 12 7.324 7.809 -0.485 1
1 157 . 8 1 1 A 16 16 CYS HA H 12 4.931 4.906 0.025 1
1 160 . 8 1 1 A 16 16 CYS CA C 12 56.277 56.485 -0.208 1
1 161 . 8 1 1 A 16 16 CYS N N 12 123.174 117.784 5.390 1
1 162 . 8 1 1 A 17 17 PRO C C 13 178.555 176.644 1.911 1
1 163 . 8 1 1 A 17 17 PRO CA C 13 64.409 64.088 0.321 1
1 164 . 8 1 1 A 17 17 PRO CB C 13 33.538 31.582 1.956 1
1 165 . 8 1 1 A 18 18 TYR H H 14 9.325 7.865 1.460 1
1 166 . 8 1 1 A 18 18 TYR HA H 14 4.404 4.494 -0.090 1
1 173 . 8 1 1 A 18 18 TYR CA C 14 60.921 59.391 1.530 1
1 174 . 8 1 1 A 18 18 TYR N N 14 127.149 115.029 12.120 1
1 175 . 8 1 1 A 19 19 CYS H H 15 9.687 8.001 1.686 1
1 176 . 8 1 1 A 19 19 CYS HA H 15 4.725 4.074 0.651 1
1 177 . 8 1 1 A 19 19 CYS C C 15 174.998 176.791 -1.793 1
1 178 . 8 1 1 A 19 19 CYS CA C 15 64.573 62.576 1.997 1
1 179 . 8 1 1 A 19 19 CYS CB C 15 29.227 27.144 2.083 1
1 180 . 8 1 1 A 19 19 CYS N N 15 127.652 119.352 8.300 1
1 181 . 8 1 1 A 20 20 LYS H H 16 7.706 8.148 -0.442 1
1 182 . 8 1 1 A 20 20 LYS HA H 16 3.946 4.053 -0.107 1
1 191 . 8 1 1 A 20 20 LYS C C 16 177.252 178.516 -1.264 1
1 192 . 8 1 1 A 20 20 LYS CA C 16 59.857 59.175 0.682 1
1 193 . 8 1 1 A 20 20 LYS CB C 16 32.542 32.078 0.464 1
1 194 . 8 1 1 A 20 20 LYS N N 16 119.200 119.765 -0.565 1
1 195 . 8 1 1 A 21 21 ARG H H 17 7.839 8.226 -0.387 1
1 196 . 8 1 1 A 21 21 ARG HA H 17 4.176 4.086 0.090 1
1 203 . 8 1 1 A 21 21 ARG C C 17 179.858 179.031 0.827 1
1 204 . 8 1 1 A 21 21 ARG CA C 17 59.647 59.312 0.335 1
1 205 . 8 1 1 A 21 21 ARG CB C 17 30.340 30.410 -0.070 1
1 206 . 8 1 1 A 21 21 ARG N N 17 117.964 119.325 -1.361 1
1 207 . 8 1 1 A 22 22 ALA H H 18 8.084 8.242 -0.158 1
1 208 . 8 1 1 A 22 22 ALA HA H 18 4.168 4.143 0.025 1
1 212 . 8 1 1 A 22 22 ALA C C 18 177.322 179.646 -2.324 1
1 213 . 8 1 1 A 22 22 ALA CA C 18 55.859 55.382 0.477 1
1 214 . 8 1 1 A 22 22 ALA CB C 18 19.047 18.233 0.814 1
1 215 . 8 1 1 A 22 22 ALA N N 18 124.839 121.626 3.213 1
1 216 . 8 1 1 A 23 23 ARG H H 19 7.811 8.133 -0.322 1
1 217 . 8 1 1 A 23 23 ARG HA H 19 3.320 3.627 -0.307 1
1 224 . 8 1 1 A 23 23 ARG C C 19 177.217 178.021 -0.804 1
1 225 . 8 1 1 A 23 23 ARG CA C 19 60.780 58.842 1.938 1
1 226 . 8 1 1 A 23 23 ARG CB C 19 30.828 30.112 0.716 1
1 227 . 8 1 1 A 23 23 ARG N N 19 116.980 117.223 -0.243 1
1 228 . 8 1 1 A 24 24 ASP H H 20 8.710 8.003 0.707 1
1 229 . 8 1 1 A 24 24 ASP HA H 20 4.299 4.405 -0.106 1
1 232 . 8 1 1 A 24 24 ASP C C 20 178.625 178.183 0.442 1
1 233 . 8 1 1 A 24 24 ASP CA C 20 57.477 57.769 -0.292 1
1 234 . 8 1 1 A 24 24 ASP CB C 20 40.551 41.490 -0.939 1
1 235 . 8 1 1 A 24 24 ASP N N 20 116.717 119.847 -3.130 1
1 236 . 8 1 1 A 25 25 LEU H H 21 7.114 8.062 -0.948 1
1 237 . 8 1 1 A 25 25 LEU HA H 21 4.131 4.070 0.061 1
1 246 . 8 1 1 A 25 25 LEU C C 21 177.580 178.678 -1.098 1
1 247 . 8 1 1 A 25 25 LEU CA C 21 57.857 58.511 -0.654 1
1 248 . 8 1 1 A 25 25 LEU CB C 21 41.654 41.821 -0.167 1
1 251 . 8 1 1 A 25 25 LEU N N 21 119.808 120.586 -0.778 1
1 252 . 8 1 1 A 26 26 LEU H H 22 7.294 8.222 -0.928 1
1 253 . 8 1 1 A 26 26 LEU HA H 22 3.767 3.911 -0.144 1
1 262 . 8 1 1 A 26 26 LEU C C 22 178.696 178.855 -0.159 1
1 263 . 8 1 1 A 26 26 LEU CA C 22 58.107 58.236 -0.129 1
1 264 . 8 1 1 A 26 26 LEU CB C 22 40.750 41.850 -1.100 1
1 267 . 8 1 1 A 26 26 LEU N N 22 117.901 119.255 -1.354 1
1 268 . 8 1 1 A 27 27 ASP H H 23 9.446 8.329 1.117 1
1 269 . 8 1 1 A 27 27 ASP HA H 23 4.608 4.407 0.201 1
1 272 . 8 1 1 A 27 27 ASP C C 23 180.104 178.441 1.663 1
1 273 . 8 1 1 A 27 27 ASP CA C 23 57.406 57.807 -0.401 1
1 274 . 8 1 1 A 27 27 ASP CB C 23 39.839 42.134 -2.295 1
1 275 . 8 1 1 A 27 27 ASP N N 23 119.946 118.644 1.302 1
1 276 . 8 1 1 A 28 28 LYS H H 24 7.915 8.274 -0.359 1
1 277 . 8 1 1 A 28 28 LYS HA H 24 4.079 3.976 0.103 1
1 286 . 8 1 1 A 28 28 LYS C C 24 178.414 178.894 -0.480 1
1 287 . 8 1 1 A 28 28 LYS CA C 24 59.295 59.562 -0.267 1
1 288 . 8 1 1 A 28 28 LYS CB C 24 32.342 32.566 -0.224 1
1 289 . 8 1 1 A 28 28 LYS N N 24 122.484 118.961 3.523 1
1 290 . 8 1 1 A 29 29 LYS H H 25 7.763 7.641 0.122 1
1 291 . 8 1 1 A 29 29 LYS HA H 25 4.195 4.213 -0.018 1
1 300 . 8 1 1 A 29 29 LYS C C 25 176.583 177.090 -0.507 1
1 301 . 8 1 1 A 29 29 LYS CA C 25 56.122 56.585 -0.463 1
1 302 . 8 1 1 A 29 29 LYS CB C 25 32.771 32.968 -0.197 1
1 303 . 8 1 1 A 29 29 LYS N N 25 116.683 115.921 0.762 1
1 304 . 8 1 1 A 30 30 GLY H H 26 7.961 8.154 -0.193 1
1 305 . 8 1 1 A 30 30 GLY HA2 H 26 4.005 3.976 0.029 1
1 306 . 8 1 1 A 30 30 GLY HA3 H 26 3.894 3.986 -0.092 1
1 307 . 8 1 1 A 30 30 GLY C C 26 174.223 174.000 0.223 1
1 308 . 8 1 1 A 30 30 GLY CA C 26 46.265 46.494 -0.229 1
1 309 . 8 1 1 A 30 30 GLY N N 26 108.209 107.299 0.910 1
1 310 . 8 1 1 A 31 31 VAL H H 27 7.440 7.315 0.125 1
1 311 . 8 1 1 A 31 31 VAL HA H 27 4.355 4.826 -0.471 1
1 319 . 8 1 1 A 31 31 VAL C C 27 174.294 174.545 -0.251 1
1 320 . 8 1 1 A 31 31 VAL CA C 27 60.115 59.223 0.892 1
1 321 . 8 1 1 A 31 31 VAL CB C 27 33.737 36.061 -2.324 1
1 323 . 8 1 1 A 31 31 VAL N N 27 114.927 114.086 0.841 1
1 324 . 8 1 1 A 32 32 LYS H H 28 8.408 8.523 -0.115 1
1 325 . 8 1 1 A 32 32 LYS HA H 28 4.268 4.883 -0.615 1
1 334 . 8 1 1 A 32 32 LYS C C 28 175.385 175.165 0.220 1
1 335 . 8 1 1 A 32 32 LYS CA C 28 55.441 55.008 0.433 1
1 336 . 8 1 1 A 32 32 LYS CB C 28 33.269 34.067 -0.798 1
1 337 . 8 1 1 A 32 32 LYS N N 28 124.540 120.740 3.800 1
1 338 . 8 1 1 A 33 33 TYR H H 29 7.451 8.712 -1.261 1
1 339 . 8 1 1 A 33 33 TYR HA H 29 5.149 5.784 -0.635 1
1 346 . 8 1 1 A 33 33 TYR C C 29 173.730 174.769 -1.039 1
1 347 . 8 1 1 A 33 33 TYR CA C 29 57.198 55.309 1.889 1
1 348 . 8 1 1 A 33 33 TYR CB C 29 41.499 41.608 -0.109 1
1 353 . 8 1 1 A 33 33 TYR N N 29 117.090 121.829 -4.739 1
1 354 . 8 1 1 A 34 34 THR H H 30 9.106 9.054 0.052 1
1 355 . 8 1 1 A 34 34 THR HA H 30 4.368 4.874 -0.506 1
1 360 . 8 1 1 A 34 34 THR C C 30 171.336 172.974 -1.638 1
1 361 . 8 1 1 A 34 34 THR CA C 30 62.096 61.402 0.694 1
1 362 . 8 1 1 A 34 34 THR CB C 30 70.603 69.937 0.666 1
1 364 . 8 1 1 A 34 34 THR N N 30 119.343 116.860 2.483 1
1 365 . 8 1 1 A 35 35 ASP H H 31 8.772 9.254 -0.482 1
1 366 . 8 1 1 A 35 35 ASP HA H 31 5.283 5.003 0.280 1
1 369 . 8 1 1 A 35 35 ASP C C 31 175.245 174.934 0.311 1
1 370 . 8 1 1 A 35 35 ASP CA C 31 52.549 53.981 -1.432 1
1 371 . 8 1 1 A 35 35 ASP CB C 31 42.286 42.608 -0.322 1
1 372 . 8 1 1 A 35 35 ASP N N 31 129.184 127.579 1.605 1
1 373 . 8 1 1 A 36 36 ILE H H 32 9.283 8.929 0.354 1
1 374 . 8 1 1 A 36 36 ILE HA H 32 4.081 4.498 -0.417 1
1 384 . 8 1 1 A 36 36 ILE C C 32 175.854 175.123 0.731 1
1 385 . 8 1 1 A 36 36 ILE CA C 32 60.226 60.157 0.069 1
1 386 . 8 1 1 A 36 36 ILE CB C 32 39.998 40.326 -0.328 1
1 388 . 8 1 1 A 36 36 ILE N N 32 129.240 126.376 2.864 1
1 389 . 8 1 1 A 37 37 ASP H H 33 8.298 8.728 -0.430 1
1 390 . 8 1 1 A 37 37 ASP HA H 33 4.648 4.581 0.067 1
1 393 . 8 1 1 A 37 37 ASP CA C 33 54.101 54.858 -0.757 1
1 394 . 8 1 1 A 37 37 ASP CB C 33 40.536 41.349 -0.813 1
1 395 . 8 1 1 A 37 37 ASP N N 33 125.570 127.918 -2.348 1
1 396 . 8 1 1 A 38 38 ALA H H 34 9.840 8.700 1.140 1
1 397 . 8 1 1 A 38 38 ALA HA H 34 4.620 4.108 0.512 1
1 401 . 8 1 1 A 38 38 ALA C C 34 175.185 177.565 -2.380 1
1 402 . 8 1 1 A 38 38 ALA CA C 34 51.239 54.668 -3.429 1
1 403 . 8 1 1 A 38 38 ALA CB C 34 20.627 18.576 2.051 1
1 404 . 8 1 1 A 38 38 ALA N N 34 134.980 124.677 10.303 1
1 405 . 8 1 1 A 39 39 SER H H 35 8.679 7.591 1.088 1
1 406 . 8 1 1 A 39 39 SER HA H 35 4.189 4.303 -0.114 1
1 409 . 8 1 1 A 39 39 SER C C 35 175.713 175.751 -0.038 1
1 410 . 8 1 1 A 39 39 SER CA C 35 60.956 58.632 2.324 1
1 411 . 8 1 1 A 39 39 SER CB C 35 64.425 64.194 0.231 1
1 412 . 8 1 1 A 39 39 SER N N 35 111.865 115.146 -3.281 1
1 413 . 8 1 1 A 40 40 THR H H 36 8.438 8.713 -0.275 1
1 414 . 8 1 1 A 40 40 THR HA H 36 4.672 3.937 0.735 1
1 419 . 8 1 1 A 40 40 THR CA C 36 59.859 65.276 -5.417 1
1 421 . 8 1 1 A 40 40 THR N N 36 114.335 121.491 -7.156 1
1 422 . 8 1 1 A 41 41 SER C C 37 174.129 175.682 -1.553 1
1 423 . 8 1 1 A 41 41 SER CA C 37 60.964 61.087 -0.123 1
1 424 . 8 1 1 A 41 41 SER CB C 37 63.605 63.346 0.259 1
1 425 . 8 1 1 A 42 42 LEU H H 38 8.643 7.738 0.905 1
1 426 . 8 1 1 A 42 42 LEU HA H 38 4.679 4.422 0.257 1
1 436 . 8 1 1 A 42 42 LEU C C 38 176.347 177.936 -1.589 1
1 437 . 8 1 1 A 42 42 LEU CA C 38 54.842 55.820 -0.978 1
1 438 . 8 1 1 A 42 42 LEU CB C 38 41.117 43.657 -2.540 1
1 439 . 8 1 1 A 42 42 LEU N N 38 121.245 118.362 2.883 1
1 440 . 8 1 1 A 43 43 ARG H H 39 7.583 8.540 -0.957 1
1 441 . 8 1 1 A 43 43 ARG HA H 39 4.173 4.061 0.112 1
1 448 . 8 1 1 A 43 43 ARG C C 39 175.925 178.128 -2.203 1
1 449 . 8 1 1 A 43 43 ARG CA C 39 60.907 59.577 1.330 1
1 450 . 8 1 1 A 43 43 ARG N N 39 123.341 120.828 2.513 1
1 451 . 8 1 1 A 44 44 GLN H H 40 8.203 8.114 0.089 1
1 452 . 8 1 1 A 44 44 GLN HA H 40 3.974 4.030 -0.056 1
1 459 . 8 1 1 A 44 44 GLN C C 40 175.608 178.316 -2.708 1
1 460 . 8 1 1 A 44 44 GLN CA C 40 58.622 59.124 -0.502 1
1 461 . 8 1 1 A 44 44 GLN CB C 40 28.591 28.377 0.214 1
1 464 . 8 1 1 A 44 44 GLN N N 40 114.940 118.316 -3.376 1
1 466 . 8 1 1 A 45 45 GLU H H 41 7.616 7.979 -0.363 1
1 467 . 8 1 1 A 45 45 GLU HA H 41 3.947 4.151 -0.204 1
1 472 . 8 1 1 A 45 45 GLU CA C 41 59.009 59.173 -0.164 1
1 473 . 8 1 1 A 45 45 GLU CB C 41 30.110 29.951 0.159 1
1 474 . 8 1 1 A 45 45 GLU N N 41 120.916 119.770 1.146 1
1 475 . 8 1 1 A 46 46 MET H H 42 7.474 8.177 -0.703 1
1 476 . 8 1 1 A 46 46 MET HA H 42 4.778 4.200 0.578 1
1 483 . 8 1 1 A 46 46 MET C C 42 176.347 178.323 -1.976 1
1 484 . 8 1 1 A 46 46 MET CA C 42 59.567 58.217 1.350 1
1 485 . 8 1 1 A 46 46 MET CB C 42 30.294 32.953 -2.659 1
1 487 . 8 1 1 A 46 46 MET N N 42 118.736 119.523 -0.787 1
1 488 . 8 1 1 A 47 47 VAL H H 43 8.006 8.342 -0.336 1
1 489 . 8 1 1 A 47 47 VAL HA H 43 3.624 3.552 0.072 1
1 497 . 8 1 1 A 47 47 VAL C C 43 176.911 177.454 -0.543 1
1 498 . 8 1 1 A 47 47 VAL CA C 43 65.362 65.115 0.247 1
1 499 . 8 1 1 A 47 47 VAL CB C 43 31.859 30.699 1.160 1
1 501 . 8 1 1 A 47 47 VAL N N 43 116.804 118.791 -1.987 1
1 502 . 8 1 1 A 48 48 GLN H H 44 7.935 7.904 0.031 1
1 503 . 8 1 1 A 48 48 GLN HA H 44 3.972 3.911 0.061 1
1 510 . 8 1 1 A 48 48 GLN C C 44 178.636 178.767 -0.131 1
1 511 . 8 1 1 A 48 48 GLN CA C 44 58.472 59.054 -0.582 1
1 512 . 8 1 1 A 48 48 GLN CB C 44 30.542 28.469 2.073 1
1 513 . 8 1 1 A 48 48 GLN N N 44 117.704 122.332 -4.628 1
1 515 . 8 1 1 A 49 49 ARG H H 45 8.100 8.018 0.082 1
1 516 . 8 1 1 A 49 49 ARG HA H 45 3.906 4.163 -0.257 1
1 521 . 8 1 1 A 49 49 ARG CA C 45 59.397 58.078 1.319 1
1 522 . 8 1 1 A 49 49 ARG CB C 45 29.993 30.245 -0.252 1
1 523 . 8 1 1 A 49 49 ARG N N 45 120.984 118.341 2.643 1
1 524 . 8 1 1 A 50 50 ALA H H 46 8.279 7.459 0.820 1
1 525 . 8 1 1 A 50 50 ALA HA H 46 3.782 4.103 -0.321 1
1 529 . 8 1 1 A 50 50 ALA C C 46 178.073 178.834 -0.761 1
1 530 . 8 1 1 A 50 50 ALA CA C 46 51.408 54.507 -3.099 1
1 531 . 8 1 1 A 50 50 ALA CB C 46 18.883 18.583 0.300 1
1 532 . 8 1 1 A 50 50 ALA N N 46 118.254 121.941 -3.687 1
1 533 . 8 1 1 A 51 51 ASN H H 47 7.706 7.996 -0.290 1
1 534 . 8 1 1 A 51 51 ASN HA H 47 4.420 5.123 -0.703 1
1 539 . 8 1 1 A 51 51 ASN C C 47 174.974 175.684 -0.710 1
1 540 . 8 1 1 A 51 51 ASN CA C 47 54.303 53.632 0.671 1
1 541 . 8 1 1 A 51 51 ASN CB C 47 37.804 40.713 -2.909 1
1 543 . 8 1 1 A 51 51 ASN N N 47 115.277 112.171 3.106 1
1 545 . 8 1 1 A 52 52 GLY H H 48 8.702 7.446 1.256 1
1 546 . 8 1 1 A 52 52 GLY HA2 H 48 4.267 4.067 0.200 1
1 547 . 8 1 1 A 52 52 GLY HA3 H 48 3.379 4.074 -0.695 1
1 548 . 8 1 1 A 52 52 GLY CA C 48 45.176 45.549 -0.373 1
1 549 . 8 1 1 A 52 52 GLY N N 48 104.035 106.710 -2.675 1
1 550 . 8 1 1 A 53 53 ARG H H 49 7.116 8.008 -0.892 1
1 551 . 8 1 1 A 53 53 ARG HA H 49 4.144 4.836 -0.692 1
1 558 . 8 1 1 A 53 53 ARG C C 49 176.101 174.143 1.958 1
1 559 . 8 1 1 A 53 53 ARG CA C 49 57.285 55.525 1.760 1
1 560 . 8 1 1 A 53 53 ARG N N 49 121.384 120.375 1.009 1
1 561 . 8 1 1 A 54 54 ASN H H 50 7.958 8.921 -0.963 1
1 562 . 8 1 1 A 54 54 ASN HA H 50 4.589 5.258 -0.669 1
1 567 . 8 1 1 A 54 54 ASN CA C 50 51.568 52.286 -0.718 1
1 568 . 8 1 1 A 54 54 ASN CB C 50 38.018 42.792 -4.774 1
1 570 . 8 1 1 A 54 54 ASN N N 50 116.546 123.176 -6.630 1
1 572 . 8 1 1 A 55 55 THR H H 51 6.818 8.699 -1.881 1
1 573 . 8 1 1 A 55 55 THR HA H 51 4.283 4.950 -0.667 1
1 578 . 8 1 1 A 55 55 THR C C 51 172.509 173.151 -0.642 1
1 579 . 8 1 1 A 55 55 THR CA C 51 59.829 60.860 -1.031 1
1 580 . 8 1 1 A 55 55 THR CB C 51 70.400 69.230 1.170 1
1 582 . 8 1 1 A 55 55 THR N N 51 108.070 118.165 -10.095 1
1 583 . 8 1 1 A 56 56 PHE H H 52 8.444 7.562 0.882 1
1 584 . 8 1 1 A 56 56 PHE HA H 52 4.730 4.872 -0.142 1
1 592 . 8 1 1 A 56 56 PHE CA C 52 55.529 55.692 -0.163 1
1 593 . 8 1 1 A 56 56 PHE N N 52 116.926 120.428 -3.502 1
1 594 . 8 1 1 A 57 57 PRO CA C 53 62.827 63.049 -0.222 1
1 595 . 8 1 1 A 57 57 PRO CB C 53 35.258 32.657 2.601 1
1 596 . 8 1 1 A 58 58 GLN H H 54 8.070 8.634 -0.564 1
1 597 . 8 1 1 A 58 58 GLN HA H 54 4.853 4.920 -0.067 1
1 604 . 8 1 1 A 58 58 GLN C C 54 175.291 173.391 1.900 1
1 605 . 8 1 1 A 58 58 GLN CA C 54 55.071 55.018 0.053 1
1 606 . 8 1 1 A 58 58 GLN CB C 54 32.237 30.838 1.399 1
1 607 . 8 1 1 A 58 58 GLN N N 54 113.697 116.795 -3.098 1
1 609 . 8 1 1 A 59 59 ILE H H 55 8.753 8.350 0.403 1
1 610 . 8 1 1 A 59 59 ILE HA H 55 5.089 4.962 0.127 1
1 620 . 8 1 1 A 59 59 ILE C C 55 174.164 175.332 -1.168 1
1 621 . 8 1 1 A 59 59 ILE CA C 55 61.194 60.000 1.194 1
1 622 . 8 1 1 A 59 59 ILE CB C 55 40.657 39.044 1.613 1
1 625 . 8 1 1 A 59 59 ILE N N 55 122.202 120.817 1.385 1
1 626 . 8 1 1 A 60 60 PHE H H 56 9.564 9.798 -0.234 1
1 627 . 8 1 1 A 60 60 PHE HA H 56 5.390 5.475 -0.085 1
1 635 . 8 1 1 A 60 60 PHE C C 56 174.305 174.817 -0.512 1
1 636 . 8 1 1 A 60 60 PHE CA C 56 56.614 56.401 0.213 1
1 637 . 8 1 1 A 60 60 PHE CB C 56 42.488 43.183 -0.695 1
1 638 . 8 1 1 A 60 60 PHE N N 56 127.604 126.209 1.395 1
1 639 . 8 1 1 A 61 61 ILE H H 57 9.231 8.831 0.400 1
1 640 . 8 1 1 A 61 61 ILE HA H 57 4.483 4.858 -0.375 1
1 650 . 8 1 1 A 61 61 ILE C C 57 176.418 175.525 0.893 1
1 651 . 8 1 1 A 61 61 ILE CA C 57 60.800 59.292 1.508 1
1 652 . 8 1 1 A 61 61 ILE CB C 57 39.431 41.154 -1.723 1
1 656 . 8 1 1 A 61 61 ILE N N 57 121.606 117.649 3.957 1
1 657 . 8 1 1 A 62 62 GLY H H 58 9.118 9.711 -0.593 1
1 658 . 8 1 1 A 62 62 GLY HA2 H 58 4.092 3.935 0.157 1
1 659 . 8 1 1 A 62 62 GLY HA3 H 58 3.951 3.944 0.007 1
1 660 . 8 1 1 A 62 62 GLY C C 58 174.058 174.104 -0.046 1
1 661 . 8 1 1 A 62 62 GLY CA C 58 47.516 46.955 0.561 1
1 662 . 8 1 1 A 62 62 GLY N N 58 118.483 114.405 4.078 1
1 663 . 8 1 1 A 63 63 ASP H H 59 8.944 8.695 0.249 1
1 664 . 8 1 1 A 63 63 ASP HA H 59 4.762 4.285 0.477 1
1 667 . 8 1 1 A 63 63 ASP C C 59 175.220 174.403 0.817 1
1 668 . 8 1 1 A 63 63 ASP CA C 59 54.467 55.753 -1.286 1
1 669 . 8 1 1 A 63 63 ASP CB C 59 40.913 39.230 1.683 1
1 670 . 8 1 1 A 63 63 ASP N N 59 125.981 112.115 13.866 1
1 671 . 8 1 1 A 64 64 TYR H H 60 8.332 8.111 0.221 1
1 672 . 8 1 1 A 64 64 TYR HA H 60 4.600 5.101 -0.501 1
1 679 . 8 1 1 A 64 64 TYR C C 60 174.023 174.026 -0.003 1
1 680 . 8 1 1 A 64 64 TYR CA C 60 57.761 57.320 0.441 1
1 681 . 8 1 1 A 64 64 TYR CB C 60 33.473 41.088 -7.615 1
1 682 . 8 1 1 A 64 64 TYR N N 60 122.443 118.897 3.546 1
1 683 . 8 1 1 A 65 65 HIS H H 61 8.625 8.328 0.297 1
1 684 . 8 1 1 A 65 65 HIS HA H 61 4.200 4.178 0.022 1
1 689 . 8 1 1 A 65 65 HIS C C 61 171.910 174.567 -2.657 1
1 690 . 8 1 1 A 65 65 HIS CA C 61 53.347 55.190 -1.843 1
1 691 . 8 1 1 A 65 65 HIS CB C 61 28.830 29.882 -1.052 1
1 692 . 8 1 1 A 65 65 HIS N N 61 129.863 122.647 7.216 1
1 693 . 8 1 1 A 66 66 VAL H H 62 8.059 9.244 -1.185 1
1 694 . 8 1 1 A 66 66 VAL HA H 62 3.316 3.853 -0.537 1
1 702 . 8 1 1 A 66 66 VAL CA C 62 64.194 63.622 0.572 1
1 703 . 8 1 1 A 66 66 VAL CB C 62 32.770 32.735 0.035 1
1 705 . 8 1 1 A 66 66 VAL N N 62 129.219 120.547 8.672 1
1 706 . 8 1 1 A 67 67 GLY H H 63 6.327 7.428 -1.101 1
1 707 . 8 1 1 A 67 67 GLY HA2 H 63 4.503 4.133 0.370 1
1 708 . 8 1 1 A 67 67 GLY HA3 H 63 2.870 4.134 -1.264 1
1 709 . 8 1 1 A 67 67 GLY C C 63 172.156 173.017 -0.861 1
1 710 . 8 1 1 A 67 67 GLY CA C 63 43.551 45.145 -1.594 1
1 711 . 8 1 1 A 67 67 GLY N N 63 102.548 106.623 -4.075 1
1 712 . 8 1 1 A 68 68 GLY H H 64 9.095 8.407 0.688 1
1 713 . 8 1 1 A 68 68 GLY HA2 H 64 4.863 4.068 0.795 1
1 714 . 8 1 1 A 68 68 GLY HA3 H 64 3.821 4.090 -0.269 1
1 715 . 8 1 1 A 68 68 GLY C C 64 172.509 175.170 -2.661 1
1 716 . 8 1 1 A 68 68 GLY CA C 64 43.870 44.397 -0.527 1
1 717 . 8 1 1 A 68 68 GLY N N 64 110.080 113.528 -3.448 1
1 718 . 8 1 1 A 69 69 CYS H H 65 8.398 8.769 -0.371 1
1 719 . 8 1 1 A 69 69 CYS HA H 65 3.846 4.177 -0.331 1
1 722 . 8 1 1 A 69 69 CYS C C 65 173.741 176.664 -2.923 1
1 723 . 8 1 1 A 69 69 CYS CA C 65 62.944 62.732 0.212 1
1 724 . 8 1 1 A 69 69 CYS CB C 65 45.022 27.650 17.372 1
1 725 . 8 1 1 A 69 69 CYS N N 65 118.292 119.040 -0.748 1
1 726 . 8 1 1 A 70 70 ASP H H 66 9.110 8.318 0.792 1
1 727 . 8 1 1 A 70 70 ASP HA H 66 5.745 4.303 1.442 1
1 730 . 8 1 1 A 70 70 ASP C C 66 178.777 177.631 1.146 1
1 731 . 8 1 1 A 70 70 ASP CA C 66 57.437 56.608 0.829 1
1 732 . 8 1 1 A 70 70 ASP CB C 66 40.016 39.516 0.500 1
1 733 . 8 1 1 A 70 70 ASP N N 66 123.178 119.800 3.378 1
1 734 . 8 1 1 A 71 71 ASP H H 67 7.301 8.284 -0.983 1
1 735 . 8 1 1 A 71 71 ASP HA H 67 4.362 4.282 0.080 1
1 738 . 8 1 1 A 71 71 ASP C C 67 177.474 178.471 -0.997 1
1 739 . 8 1 1 A 71 71 ASP CA C 67 57.381 57.811 -0.430 1
1 740 . 8 1 1 A 71 71 ASP CB C 67 41.503 41.731 -0.228 1
1 741 . 8 1 1 A 71 71 ASP N N 67 119.848 120.321 -0.473 1
1 742 . 8 1 1 A 72 72 LEU H H 68 7.805 7.658 0.147 1
1 743 . 8 1 1 A 72 72 LEU HA H 68 3.822 4.047 -0.225 1
1 753 . 8 1 1 A 72 72 LEU C C 68 177.509 178.692 -1.183 1
1 754 . 8 1 1 A 72 72 LEU CA C 68 58.446 57.906 0.540 1
1 755 . 8 1 1 A 72 72 LEU CB C 68 42.524 41.534 0.990 1
1 757 . 8 1 1 A 72 72 LEU N N 68 121.720 117.876 3.844 1
1 758 . 8 1 1 A 73 73 TYR H H 69 8.229 7.951 0.278 1
1 759 . 8 1 1 A 73 73 TYR HA H 69 3.772 4.323 -0.551 1
1 766 . 8 1 1 A 73 73 TYR C C 69 177.721 178.162 -0.441 1
1 767 . 8 1 1 A 73 73 TYR CA C 69 62.867 60.510 2.357 1
1 768 . 8 1 1 A 73 73 TYR CB C 69 38.215 38.043 0.172 1
1 769 . 8 1 1 A 73 73 TYR N N 69 116.501 120.089 -3.588 1
1 770 . 8 1 1 A 74 74 ALA H H 70 8.275 8.731 -0.456 1
1 771 . 8 1 1 A 74 74 ALA HA H 70 4.286 4.104 0.182 1
1 775 . 8 1 1 A 74 74 ALA C C 70 180.045 180.016 0.029 1
1 776 . 8 1 1 A 74 74 ALA CA C 70 55.701 55.203 0.498 1
1 777 . 8 1 1 A 74 74 ALA CB C 70 17.944 18.282 -0.338 1
1 778 . 8 1 1 A 74 74 ALA N N 70 122.883 121.527 1.356 1
1 779 . 8 1 1 A 75 75 LEU H H 71 7.558 8.274 -0.716 1
1 780 . 8 1 1 A 75 75 LEU HA H 71 3.975 3.845 0.130 1
1 790 . 8 1 1 A 75 75 LEU C C 71 179.024 179.044 -0.020 1
1 791 . 8 1 1 A 75 75 LEU CA C 71 57.994 58.191 -0.197 1
1 792 . 8 1 1 A 75 75 LEU CB C 71 42.836 41.687 1.149 1
1 793 . 8 1 1 A 75 75 LEU N N 71 117.133 117.762 -0.629 1
1 794 . 8 1 1 A 76 76 GLU H H 72 7.587 8.378 -0.791 1
1 795 . 8 1 1 A 76 76 GLU HA H 72 4.473 3.889 0.584 1
1 800 . 8 1 1 A 76 76 GLU C C 72 179.270 178.284 0.986 1
1 801 . 8 1 1 A 76 76 GLU CA C 72 58.296 59.651 -1.355 1
1 802 . 8 1 1 A 76 76 GLU CB C 72 28.457 29.361 -0.904 1
1 803 . 8 1 1 A 76 76 GLU N N 72 121.576 119.233 2.343 1
1 804 . 8 1 1 A 77 77 ASN H H 73 8.863 7.804 1.059 1
1 805 . 8 1 1 A 77 77 ASN HA H 73 4.511 4.494 0.017 1
1 810 . 8 1 1 A 77 77 ASN C C 73 176.664 177.131 -0.467 1
1 811 . 8 1 1 A 77 77 ASN CA C 73 55.944 55.371 0.573 1
1 812 . 8 1 1 A 77 77 ASN CB C 73 38.660 38.657 0.003 1
1 814 . 8 1 1 A 77 77 ASN N N 73 120.232 117.514 2.718 1
1 816 . 8 1 1 A 78 78 LYS H H 74 7.617 7.580 0.037 1
1 817 . 8 1 1 A 78 78 LYS HA H 74 4.426 4.281 0.145 1
1 826 . 8 1 1 A 78 78 LYS C C 74 176.312 176.428 -0.116 1
1 827 . 8 1 1 A 78 78 LYS CA C 74 55.863 56.275 -0.412 1
1 828 . 8 1 1 A 78 78 LYS CB C 74 33.482 33.031 0.451 1
1 829 . 8 1 1 A 78 78 LYS N N 74 115.597 116.644 -1.047 1
1 830 . 8 1 1 A 79 79 GLY H H 75 8.023 7.644 0.379 1
1 831 . 8 1 1 A 79 79 GLY HA2 H 75 4.060 3.998 0.062 1
1 832 . 8 1 1 A 79 79 GLY HA3 H 75 4.060 4.001 0.059 1
1 833 . 8 1 1 A 79 79 GLY C C 75 175.009 175.533 -0.524 1
1 834 . 8 1 1 A 79 79 GLY CA C 75 46.234 45.114 1.120 1
1 835 . 8 1 1 A 79 79 GLY N N 75 109.073 105.596 3.477 1
1 836 . 8 1 1 A 80 80 LYS H H 76 8.091 8.351 -0.260 1
1 837 . 8 1 1 A 80 80 LYS HA H 76 4.422 4.284 0.138 1
1 846 . 8 1 1 A 80 80 LYS C C 76 173.037 177.683 -4.646 1
1 847 . 8 1 1 A 80 80 LYS CA C 76 55.679 57.087 -1.408 1
1 848 . 8 1 1 A 80 80 LYS CB C 76 35.038 32.139 2.899 1
1 849 . 8 1 1 A 80 80 LYS N N 76 116.888 120.987 -4.099 1
1 850 . 8 1 1 A 81 81 LEU H H 77 7.411 7.788 -0.377 1
1 851 . 8 1 1 A 81 81 LEU HA H 77 4.003 3.953 0.050 1
1 861 . 8 1 1 A 81 81 LEU C C 77 177.333 177.903 -0.570 1
1 862 . 8 1 1 A 81 81 LEU CA C 77 57.512 58.133 -0.621 1
1 863 . 8 1 1 A 81 81 LEU CB C 77 40.676 41.478 -0.802 1
1 864 . 8 1 1 A 81 81 LEU N N 77 122.079 121.410 0.669 1
1 865 . 8 1 1 A 82 82 ASP H H 78 8.613 8.124 0.489 1
1 866 . 8 1 1 A 82 82 ASP HA H 78 4.232 4.253 -0.021 1
1 869 . 8 1 1 A 82 82 ASP C C 78 178.354 178.155 0.199 1
1 870 . 8 1 1 A 82 82 ASP CA C 78 58.438 57.892 0.546 1
1 871 . 8 1 1 A 82 82 ASP CB C 78 39.890 42.032 -2.142 1
1 872 . 8 1 1 A 82 82 ASP N N 78 118.813 119.406 -0.593 1
1 873 . 8 1 1 A 83 83 SER H H 79 7.886 7.631 0.255 1
1 874 . 8 1 1 A 83 83 SER HA H 79 4.164 4.189 -0.025 1
1 877 . 8 1 1 A 83 83 SER C C 79 176.171 177.438 -1.267 1
1 878 . 8 1 1 A 83 83 SER CA C 79 61.285 61.401 -0.116 1
1 879 . 8 1 1 A 83 83 SER CB C 79 62.632 62.929 -0.297 1
1 880 . 8 1 1 A 83 83 SER N N 79 113.338 114.084 -0.746 1
1 881 . 8 1 1 A 84 84 LEU H H 80 7.354 8.149 -0.795 1
1 882 . 8 1 1 A 84 84 LEU HA H 80 4.152 3.958 0.194 1
1 892 . 8 1 1 A 84 84 LEU C C 80 173.671 178.665 -4.994 1
1 893 . 8 1 1 A 84 84 LEU CA C 80 56.841 58.250 -1.409 1
1 894 . 8 1 1 A 84 84 LEU CB C 80 42.682 42.211 0.471 1
1 897 . 8 1 1 A 84 84 LEU N N 80 121.453 122.047 -0.594 1
1 898 . 8 1 1 A 85 85 LEU H H 81 7.655 8.701 -1.046 1
1 899 . 8 1 1 A 85 85 LEU HA H 81 4.113 3.952 0.161 1
1 909 . 8 1 1 A 85 85 LEU C C 81 177.333 178.854 -1.521 1
1 910 . 8 1 1 A 85 85 LEU CA C 81 55.748 58.146 -2.398 1
1 911 . 8 1 1 A 85 85 LEU CB C 81 41.707 40.908 0.799 1
1 914 . 8 1 1 A 85 85 LEU N N 81 115.497 118.178 -2.681 1
1 915 . 8 1 1 A 86 86 GLN H H 82 7.414 8.250 -0.836 1
1 916 . 8 1 1 A 86 86 GLN HA H 82 4.177 3.994 0.183 1
1 923 . 8 1 1 A 86 86 GLN C C 82 175.537 177.298 -1.761 1
1 924 . 8 1 1 A 86 86 GLN CA C 82 56.986 58.468 -1.482 1
1 925 . 8 1 1 A 86 86 GLN CB C 82 29.187 28.401 0.786 1
1 928 . 8 1 1 A 86 86 GLN N N 82 117.020 118.159 -1.139 1
1 930 . 8 1 1 A 87 87 ASP H H 83 8.092 7.993 0.099 1
1 931 . 8 1 1 A 87 87 ASP HA H 83 4.672 4.664 0.008 1
1 934 . 8 1 1 A 87 87 ASP C C 83 177.263 178.608 -1.345 1
1 935 . 8 1 1 A 87 87 ASP CA C 83 54.394 56.477 -2.083 1
1 936 . 8 1 1 A 87 87 ASP CB C 83 40.722 41.420 -0.698 1
1 937 . 8 1 1 A 87 87 ASP N N 83 119.072 118.173 0.899 1
1 938 . 8 1 1 A 88 88 VAL H H 84 7.692 8.299 -0.607 1
1 939 . 8 1 1 A 88 88 VAL HA H 84 4.175 3.980 0.195 1
1 947 . 8 1 1 A 88 88 VAL C C 84 174.164 177.789 -3.625 1
1 948 . 8 1 1 A 88 88 VAL CA C 84 62.165 65.812 -3.647 1
1 949 . 8 1 1 A 88 88 VAL CB C 84 32.284 31.270 1.014 1
1 952 . 8 1 1 A 88 88 VAL N N 84 118.778 116.021 2.757 1
1 1 . 9 1 1 A 2 2 PRO C C -2 177.005 176.205 0.800 1
1 2 . 9 1 1 A 2 2 PRO CA C -2 63.481 62.464 1.017 1
1 3 . 9 1 1 A 2 2 PRO CB C -2 32.244 33.166 -0.922 1
1 4 . 9 1 1 A 3 3 GLY H H -1 8.665 8.218 0.447 1
1 5 . 9 1 1 A 3 3 GLY HA2 H -1 3.985 4.135 -0.150 1
1 6 . 9 1 1 A 3 3 GLY HA3 H -1 3.985 4.173 -0.188 1
1 7 . 9 1 1 A 3 3 GLY C C -1 173.706 172.309 1.397 1
1 8 . 9 1 1 A 3 3 GLY CA C -1 45.291 44.682 0.609 1
1 9 . 9 1 1 A 3 3 GLY N N -1 109.788 107.226 2.562 1
1 10 . 9 1 1 A 4 4 SER H H 0 8.190 8.124 0.066 1
1 11 . 9 1 1 A 4 4 SER HA H 0 4.477 5.104 -0.627 1
1 14 . 9 1 1 A 4 4 SER C C 0 175.738 172.328 3.410 1
1 15 . 9 1 1 A 4 4 SER CA C 0 58.322 57.269 1.053 1
1 16 . 9 1 1 A 4 4 SER CB C 0 63.927 65.247 -1.320 1
1 17 . 9 1 1 A 4 4 SER N N 0 115.613 115.145 0.468 1
1 18 . 9 1 1 A 5 5 MET H H 1 8.458 8.657 -0.199 1
1 19 . 9 1 1 A 5 5 MET HA H 1 4.320 5.142 -0.822 1
1 27 . 9 1 1 A 5 5 MET C C 1 173.977 175.135 -1.158 1
1 28 . 9 1 1 A 5 5 MET CA C 1 56.011 54.370 1.641 1
1 29 . 9 1 1 A 5 5 MET CB C 1 33.797 34.699 -0.902 1
1 30 . 9 1 1 A 5 5 MET N N 1 122.334 123.034 -0.700 1
1 31 . 9 1 1 A 6 6 LYS H H 2 8.445 8.473 -0.028 1
1 32 . 9 1 1 A 6 6 LYS HA H 2 4.566 5.007 -0.441 1
1 39 . 9 1 1 A 6 6 LYS C C 2 174.575 174.978 -0.403 1
1 40 . 9 1 1 A 6 6 LYS CA C 2 55.887 54.464 1.423 1
1 41 . 9 1 1 A 6 6 LYS CB C 2 33.848 37.053 -3.205 1
1 42 . 9 1 1 A 6 6 LYS N N 2 122.229 122.985 -0.756 1
1 43 . 9 1 1 A 7 7 GLU H H 3 8.324 8.942 -0.618 1
1 44 . 9 1 1 A 7 7 GLU HA H 3 4.440 5.160 -0.720 1
1 49 . 9 1 1 A 7 7 GLU C C 3 175.491 173.909 1.582 1
1 50 . 9 1 1 A 7 7 GLU CA C 3 55.680 54.668 1.012 1
1 51 . 9 1 1 A 7 7 GLU CB C 3 31.513 33.602 -2.089 1
1 52 . 9 1 1 A 7 7 GLU N N 3 121.539 117.676 3.863 1
1 53 . 9 1 1 A 8 8 ILE H H 4 9.014 8.985 0.029 1
1 54 . 9 1 1 A 8 8 ILE HA H 4 5.025 5.303 -0.278 1
1 64 . 9 1 1 A 8 8 ILE C C 4 174.199 173.836 0.363 1
1 65 . 9 1 1 A 8 8 ILE CA C 4 60.927 59.401 1.526 1
1 66 . 9 1 1 A 8 8 ILE CB C 4 38.759 41.315 -2.556 1
1 69 . 9 1 1 A 8 8 ILE N N 4 127.255 122.248 5.007 1
1 70 . 9 1 1 A 9 9 ILE H H 5 9.104 9.362 -0.258 1
1 71 . 9 1 1 A 9 9 ILE HA H 5 4.900 5.064 -0.164 1
1 81 . 9 1 1 A 9 9 ILE C C 5 173.906 174.958 -1.052 1
1 82 . 9 1 1 A 9 9 ILE CA C 5 59.727 59.397 0.330 1
1 83 . 9 1 1 A 9 9 ILE CB C 5 41.627 42.276 -0.649 1
1 87 . 9 1 1 A 9 9 ILE N N 5 128.326 128.622 -0.296 1
1 88 . 9 1 1 A 10 10 LEU H H 6 8.891 9.049 -0.158 1
1 89 . 9 1 1 A 10 10 LEU HA H 6 5.157 5.307 -0.150 1
1 96 . 9 1 1 A 10 10 LEU CA C 6 54.076 53.205 0.871 1
1 97 . 9 1 1 A 10 10 LEU CB C 6 44.892 43.786 1.106 1
1 100 . 9 1 1 A 10 10 LEU N N 6 125.779 124.521 1.258 1
1 101 . 9 1 1 A 11 11 TYR H H 7 9.099 9.187 -0.088 1
1 102 . 9 1 1 A 11 11 TYR HA H 7 4.336 5.256 -0.920 1
1 109 . 9 1 1 A 11 11 TYR C C 7 177.041 175.418 1.623 1
1 110 . 9 1 1 A 11 11 TYR CA C 7 57.379 56.642 0.737 1
1 111 . 9 1 1 A 11 11 TYR CB C 7 40.345 39.629 0.716 1
1 112 . 9 1 1 A 12 12 THR H H 8 9.286 8.645 0.641 1
1 113 . 9 1 1 A 12 12 THR HA H 8 5.105 4.981 0.124 1
1 118 . 9 1 1 A 12 12 THR C C 8 172.005 173.205 -1.200 1
1 119 . 9 1 1 A 12 12 THR CA C 8 60.604 60.984 -0.380 1
1 120 . 9 1 1 A 12 12 THR CB C 8 73.108 70.729 2.379 1
1 122 . 9 1 1 A 12 12 THR N N 8 111.938 114.476 -2.538 1
1 123 . 9 1 1 A 13 13 ARG H H 9 7.513 8.329 -0.816 1
1 124 . 9 1 1 A 13 13 ARG HA H 9 4.826 4.795 0.031 1
1 131 . 9 1 1 A 13 13 ARG CA C 9 52.836 54.207 -1.371 1
1 132 . 9 1 1 A 13 13 ARG CB C 9 31.436 30.923 0.513 1
1 133 . 9 1 1 A 13 13 ARG N N 9 114.036 120.678 -6.642 1
1 134 . 9 1 1 A 14 14 PRO HA H 10 4.294 4.397 -0.103 1
1 141 . 9 1 1 A 14 14 PRO C C 10 176.477 176.703 -0.226 1
1 142 . 9 1 1 A 14 14 PRO CA C 10 63.464 63.221 0.243 1
1 143 . 9 1 1 A 14 14 PRO CB C 10 32.615 32.388 0.227 1
1 144 . 9 1 1 A 15 15 ASN H H 11 8.987 8.903 0.084 1
1 145 . 9 1 1 A 15 15 ASN HA H 11 4.240 4.254 -0.014 1
1 150 . 9 1 1 A 15 15 ASN C C 11 176.266 174.052 2.214 1
1 151 . 9 1 1 A 15 15 ASN CA C 11 54.464 54.718 -0.254 1
1 152 . 9 1 1 A 15 15 ASN CB C 11 37.500 37.250 0.250 1
1 154 . 9 1 1 A 15 15 ASN N N 11 115.463 114.049 1.414 1
1 156 . 9 1 1 A 16 16 CYS H H 12 7.324 7.956 -0.632 1
1 157 . 9 1 1 A 16 16 CYS HA H 12 4.931 4.676 0.255 1
1 160 . 9 1 1 A 16 16 CYS CA C 12 56.277 57.423 -1.146 1
1 161 . 9 1 1 A 16 16 CYS N N 12 123.174 116.674 6.500 1
1 162 . 9 1 1 A 17 17 PRO C C 13 178.555 178.442 0.113 1
1 163 . 9 1 1 A 17 17 PRO CA C 13 64.409 65.314 -0.905 1
1 164 . 9 1 1 A 17 17 PRO CB C 13 33.538 31.871 1.667 1
1 165 . 9 1 1 A 18 18 TYR H H 14 9.325 8.040 1.285 1
1 166 . 9 1 1 A 18 18 TYR HA H 14 4.404 4.301 0.103 1
1 173 . 9 1 1 A 18 18 TYR CA C 14 60.921 61.247 -0.326 1
1 174 . 9 1 1 A 18 18 TYR N N 14 127.149 117.319 9.830 1
1 175 . 9 1 1 A 19 19 CYS H H 15 9.687 8.166 1.521 1
1 176 . 9 1 1 A 19 19 CYS HA H 15 4.725 4.076 0.649 1
1 177 . 9 1 1 A 19 19 CYS C C 15 174.998 177.513 -2.515 1
1 178 . 9 1 1 A 19 19 CYS CA C 15 64.573 62.543 2.030 1
1 179 . 9 1 1 A 19 19 CYS CB C 15 29.227 27.016 2.211 1
1 180 . 9 1 1 A 19 19 CYS N N 15 127.652 118.089 9.563 1
1 181 . 9 1 1 A 20 20 LYS H H 16 7.706 8.419 -0.713 1
1 182 . 9 1 1 A 20 20 LYS HA H 16 3.946 3.935 0.011 1
1 191 . 9 1 1 A 20 20 LYS C C 16 177.252 179.458 -2.206 1
1 192 . 9 1 1 A 20 20 LYS CA C 16 59.857 60.096 -0.239 1
1 193 . 9 1 1 A 20 20 LYS CB C 16 32.542 32.326 0.216 1
1 194 . 9 1 1 A 20 20 LYS N N 16 119.200 120.498 -1.298 1
1 195 . 9 1 1 A 21 21 ARG H H 17 7.839 7.874 -0.035 1
1 196 . 9 1 1 A 21 21 ARG HA H 17 4.176 4.073 0.103 1
1 203 . 9 1 1 A 21 21 ARG C C 17 179.858 178.952 0.906 1
1 204 . 9 1 1 A 21 21 ARG CA C 17 59.647 59.149 0.498 1
1 205 . 9 1 1 A 21 21 ARG CB C 17 30.340 29.901 0.439 1
1 206 . 9 1 1 A 21 21 ARG N N 17 117.964 119.723 -1.759 1
1 207 . 9 1 1 A 22 22 ALA H H 18 8.084 8.149 -0.065 1
1 208 . 9 1 1 A 22 22 ALA HA H 18 4.168 4.128 0.040 1
1 212 . 9 1 1 A 22 22 ALA C C 18 177.322 179.506 -2.184 1
1 213 . 9 1 1 A 22 22 ALA CA C 18 55.859 55.323 0.536 1
1 214 . 9 1 1 A 22 22 ALA CB C 18 19.047 18.224 0.823 1
1 215 . 9 1 1 A 22 22 ALA N N 18 124.839 121.808 3.031 1
1 216 . 9 1 1 A 23 23 ARG H H 19 7.811 8.352 -0.541 1
1 217 . 9 1 1 A 23 23 ARG HA H 19 3.320 3.559 -0.239 1
1 224 . 9 1 1 A 23 23 ARG C C 19 177.217 177.993 -0.776 1
1 225 . 9 1 1 A 23 23 ARG CA C 19 60.780 58.818 1.962 1
1 226 . 9 1 1 A 23 23 ARG CB C 19 30.828 30.082 0.746 1
1 227 . 9 1 1 A 23 23 ARG N N 19 116.980 117.127 -0.147 1
1 228 . 9 1 1 A 24 24 ASP H H 20 8.710 7.960 0.750 1
1 229 . 9 1 1 A 24 24 ASP HA H 20 4.299 4.445 -0.146 1
1 232 . 9 1 1 A 24 24 ASP C C 20 178.625 178.273 0.352 1
1 233 . 9 1 1 A 24 24 ASP CA C 20 57.477 56.972 0.505 1
1 234 . 9 1 1 A 24 24 ASP CB C 20 40.551 41.071 -0.520 1
1 235 . 9 1 1 A 24 24 ASP N N 20 116.717 119.970 -3.253 1
1 236 . 9 1 1 A 25 25 LEU H H 21 7.114 7.940 -0.826 1
1 237 . 9 1 1 A 25 25 LEU HA H 21 4.131 4.050 0.081 1
1 246 . 9 1 1 A 25 25 LEU C C 21 177.580 178.329 -0.749 1
1 247 . 9 1 1 A 25 25 LEU CA C 21 57.857 58.467 -0.610 1
1 248 . 9 1 1 A 25 25 LEU CB C 21 41.654 41.975 -0.321 1
1 251 . 9 1 1 A 25 25 LEU N N 21 119.808 120.575 -0.767 1
1 252 . 9 1 1 A 26 26 LEU H H 22 7.294 8.151 -0.857 1
1 253 . 9 1 1 A 26 26 LEU HA H 22 3.767 3.975 -0.208 1
1 262 . 9 1 1 A 26 26 LEU C C 22 178.696 178.537 0.159 1
1 263 . 9 1 1 A 26 26 LEU CA C 22 58.107 58.289 -0.182 1
1 264 . 9 1 1 A 26 26 LEU CB C 22 40.750 41.488 -0.738 1
1 267 . 9 1 1 A 26 26 LEU N N 22 117.901 118.885 -0.984 1
1 268 . 9 1 1 A 27 27 ASP H H 23 9.446 8.387 1.059 1
1 269 . 9 1 1 A 27 27 ASP HA H 23 4.608 4.537 0.071 1
1 272 . 9 1 1 A 27 27 ASP C C 23 180.104 178.668 1.436 1
1 273 . 9 1 1 A 27 27 ASP CA C 23 57.406 57.389 0.017 1
1 274 . 9 1 1 A 27 27 ASP CB C 23 39.839 41.625 -1.786 1
1 275 . 9 1 1 A 27 27 ASP N N 23 119.946 119.490 0.456 1
1 276 . 9 1 1 A 28 28 LYS H H 24 7.915 8.207 -0.292 1
1 277 . 9 1 1 A 28 28 LYS HA H 24 4.079 4.202 -0.123 1
1 286 . 9 1 1 A 28 28 LYS C C 24 178.414 179.725 -1.311 1
1 287 . 9 1 1 A 28 28 LYS CA C 24 59.295 58.621 0.674 1
1 288 . 9 1 1 A 28 28 LYS CB C 24 32.342 32.541 -0.199 1
1 289 . 9 1 1 A 28 28 LYS N N 24 122.484 119.354 3.130 1
1 290 . 9 1 1 A 29 29 LYS H H 25 7.763 7.621 0.142 1
1 291 . 9 1 1 A 29 29 LYS HA H 25 4.195 4.169 0.026 1
1 300 . 9 1 1 A 29 29 LYS C C 25 176.583 177.031 -0.448 1
1 301 . 9 1 1 A 29 29 LYS CA C 25 56.122 56.715 -0.593 1
1 302 . 9 1 1 A 29 29 LYS CB C 25 32.771 32.772 -0.001 1
1 303 . 9 1 1 A 29 29 LYS N N 25 116.683 116.580 0.103 1
1 304 . 9 1 1 A 30 30 GLY H H 26 7.961 8.162 -0.201 1
1 305 . 9 1 1 A 30 30 GLY HA2 H 26 4.005 3.925 0.080 1
1 306 . 9 1 1 A 30 30 GLY HA3 H 26 3.894 3.956 -0.062 1
1 307 . 9 1 1 A 30 30 GLY C C 26 174.223 173.924 0.299 1
1 308 . 9 1 1 A 30 30 GLY CA C 26 46.265 46.423 -0.158 1
1 309 . 9 1 1 A 30 30 GLY N N 26 108.209 107.151 1.058 1
1 310 . 9 1 1 A 31 31 VAL H H 27 7.440 7.365 0.075 1
1 311 . 9 1 1 A 31 31 VAL HA H 27 4.355 4.853 -0.498 1
1 319 . 9 1 1 A 31 31 VAL C C 27 174.294 174.381 -0.087 1
1 320 . 9 1 1 A 31 31 VAL CA C 27 60.115 59.270 0.845 1
1 321 . 9 1 1 A 31 31 VAL CB C 27 33.737 35.987 -2.250 1
1 323 . 9 1 1 A 31 31 VAL N N 27 114.927 114.473 0.454 1
1 324 . 9 1 1 A 32 32 LYS H H 28 8.408 8.575 -0.167 1
1 325 . 9 1 1 A 32 32 LYS HA H 28 4.268 4.881 -0.613 1
1 334 . 9 1 1 A 32 32 LYS C C 28 175.385 175.349 0.036 1
1 335 . 9 1 1 A 32 32 LYS CA C 28 55.441 54.818 0.623 1
1 336 . 9 1 1 A 32 32 LYS CB C 28 33.269 33.495 -0.226 1
1 337 . 9 1 1 A 32 32 LYS N N 28 124.540 120.790 3.750 1
1 338 . 9 1 1 A 33 33 TYR H H 29 7.451 8.533 -1.082 1
1 339 . 9 1 1 A 33 33 TYR HA H 29 5.149 5.786 -0.637 1
1 346 . 9 1 1 A 33 33 TYR C C 29 173.730 174.857 -1.127 1
1 347 . 9 1 1 A 33 33 TYR CA C 29 57.198 55.564 1.634 1
1 348 . 9 1 1 A 33 33 TYR CB C 29 41.499 41.546 -0.047 1
1 353 . 9 1 1 A 33 33 TYR N N 29 117.090 123.153 -6.063 1
1 354 . 9 1 1 A 34 34 THR H H 30 9.106 9.006 0.100 1
1 355 . 9 1 1 A 34 34 THR HA H 30 4.368 4.908 -0.540 1
1 360 . 9 1 1 A 34 34 THR C C 30 171.336 173.061 -1.725 1
1 361 . 9 1 1 A 34 34 THR CA C 30 62.096 61.398 0.698 1
1 362 . 9 1 1 A 34 34 THR CB C 30 70.603 70.066 0.537 1
1 364 . 9 1 1 A 34 34 THR N N 30 119.343 116.892 2.451 1
1 365 . 9 1 1 A 35 35 ASP H H 31 8.772 9.183 -0.411 1
1 366 . 9 1 1 A 35 35 ASP HA H 31 5.283 5.207 0.076 1
1 369 . 9 1 1 A 35 35 ASP C C 31 175.245 174.855 0.390 1
1 370 . 9 1 1 A 35 35 ASP CA C 31 52.549 53.447 -0.898 1
1 371 . 9 1 1 A 35 35 ASP CB C 31 42.286 42.663 -0.377 1
1 372 . 9 1 1 A 35 35 ASP N N 31 129.184 127.163 2.021 1
1 373 . 9 1 1 A 36 36 ILE H H 32 9.283 8.974 0.309 1
1 374 . 9 1 1 A 36 36 ILE HA H 32 4.081 4.474 -0.393 1
1 384 . 9 1 1 A 36 36 ILE C C 32 175.854 175.100 0.754 1
1 385 . 9 1 1 A 36 36 ILE CA C 32 60.226 60.283 -0.057 1
1 386 . 9 1 1 A 36 36 ILE CB C 32 39.998 40.531 -0.533 1
1 388 . 9 1 1 A 36 36 ILE N N 32 129.240 125.804 3.436 1
1 389 . 9 1 1 A 37 37 ASP H H 33 8.298 8.737 -0.439 1
1 390 . 9 1 1 A 37 37 ASP HA H 33 4.648 4.623 0.025 1
1 393 . 9 1 1 A 37 37 ASP CA C 33 54.101 54.720 -0.619 1
1 394 . 9 1 1 A 37 37 ASP CB C 33 40.536 41.282 -0.746 1
1 395 . 9 1 1 A 37 37 ASP N N 33 125.570 127.831 -2.261 1
1 396 . 9 1 1 A 38 38 ALA H H 34 9.840 8.786 1.054 1
1 397 . 9 1 1 A 38 38 ALA HA H 34 4.620 4.068 0.552 1
1 401 . 9 1 1 A 38 38 ALA C C 34 175.185 178.540 -3.355 1
1 402 . 9 1 1 A 38 38 ALA CA C 34 51.239 54.734 -3.495 1
1 403 . 9 1 1 A 38 38 ALA CB C 34 20.627 18.515 2.112 1
1 404 . 9 1 1 A 38 38 ALA N N 34 134.980 124.753 10.227 1
1 405 . 9 1 1 A 39 39 SER H H 35 8.679 7.604 1.075 1
1 406 . 9 1 1 A 39 39 SER HA H 35 4.189 4.294 -0.105 1
1 409 . 9 1 1 A 39 39 SER C C 35 175.713 176.330 -0.617 1
1 410 . 9 1 1 A 39 39 SER CA C 35 60.956 60.201 0.755 1
1 411 . 9 1 1 A 39 39 SER CB C 35 64.425 63.331 1.094 1
1 412 . 9 1 1 A 39 39 SER N N 35 111.865 115.389 -3.524 1
1 413 . 9 1 1 A 40 40 THR H H 36 8.438 8.678 -0.240 1
1 414 . 9 1 1 A 40 40 THR HA H 36 4.672 3.917 0.755 1
1 419 . 9 1 1 A 40 40 THR CA C 36 59.859 65.524 -5.665 1
1 421 . 9 1 1 A 40 40 THR N N 36 114.335 119.491 -5.156 1
1 422 . 9 1 1 A 41 41 SER C C 37 174.129 175.670 -1.541 1
1 423 . 9 1 1 A 41 41 SER CA C 37 60.964 62.347 -1.383 1
1 424 . 9 1 1 A 41 41 SER CB C 37 63.605 62.817 0.788 1
1 425 . 9 1 1 A 42 42 LEU H H 38 8.643 7.891 0.752 1
1 426 . 9 1 1 A 42 42 LEU HA H 38 4.679 4.398 0.281 1
1 436 . 9 1 1 A 42 42 LEU C C 38 176.347 177.933 -1.586 1
1 437 . 9 1 1 A 42 42 LEU CA C 38 54.842 55.767 -0.925 1
1 438 . 9 1 1 A 42 42 LEU CB C 38 41.117 43.584 -2.467 1
1 439 . 9 1 1 A 42 42 LEU N N 38 121.245 118.084 3.161 1
1 440 . 9 1 1 A 43 43 ARG H H 39 7.583 8.487 -0.904 1
1 441 . 9 1 1 A 43 43 ARG HA H 39 4.173 3.985 0.188 1
1 448 . 9 1 1 A 43 43 ARG C C 39 175.925 178.377 -2.452 1
1 449 . 9 1 1 A 43 43 ARG CA C 39 60.907 59.974 0.933 1
1 450 . 9 1 1 A 43 43 ARG N N 39 123.341 121.023 2.318 1
1 451 . 9 1 1 A 44 44 GLN H H 40 8.203 8.020 0.183 1
1 452 . 9 1 1 A 44 44 GLN HA H 40 3.974 3.945 0.029 1
1 459 . 9 1 1 A 44 44 GLN C C 40 175.608 178.418 -2.810 1
1 460 . 9 1 1 A 44 44 GLN CA C 40 58.622 59.245 -0.623 1
1 461 . 9 1 1 A 44 44 GLN CB C 40 28.591 28.105 0.486 1
1 464 . 9 1 1 A 44 44 GLN N N 40 114.940 118.716 -3.776 1
1 466 . 9 1 1 A 45 45 GLU H H 41 7.616 8.054 -0.438 1
1 467 . 9 1 1 A 45 45 GLU HA H 41 3.947 4.042 -0.095 1
1 472 . 9 1 1 A 45 45 GLU CA C 41 59.009 59.219 -0.210 1
1 473 . 9 1 1 A 45 45 GLU CB C 41 30.110 29.847 0.263 1
1 474 . 9 1 1 A 45 45 GLU N N 41 120.916 119.555 1.361 1
1 475 . 9 1 1 A 46 46 MET H H 42 7.474 8.191 -0.717 1
1 476 . 9 1 1 A 46 46 MET HA H 42 4.778 4.180 0.598 1
1 483 . 9 1 1 A 46 46 MET C C 42 176.347 178.263 -1.916 1
1 484 . 9 1 1 A 46 46 MET CA C 42 59.567 58.180 1.387 1
1 485 . 9 1 1 A 46 46 MET CB C 42 30.294 32.949 -2.655 1
1 487 . 9 1 1 A 46 46 MET N N 42 118.736 119.427 -0.691 1
1 488 . 9 1 1 A 47 47 VAL H H 43 8.006 8.608 -0.602 1
1 489 . 9 1 1 A 47 47 VAL HA H 43 3.624 3.505 0.119 1
1 497 . 9 1 1 A 47 47 VAL C C 43 176.911 177.241 -0.330 1
1 498 . 9 1 1 A 47 47 VAL CA C 43 65.362 65.138 0.224 1
1 499 . 9 1 1 A 47 47 VAL CB C 43 31.859 30.369 1.490 1
1 501 . 9 1 1 A 47 47 VAL N N 43 116.804 118.674 -1.870 1
1 502 . 9 1 1 A 48 48 GLN H H 44 7.935 7.546 0.389 1
1 503 . 9 1 1 A 48 48 GLN HA H 44 3.972 3.961 0.011 1
1 510 . 9 1 1 A 48 48 GLN C C 44 178.636 178.226 0.410 1
1 511 . 9 1 1 A 48 48 GLN CA C 44 58.472 59.117 -0.645 1
1 512 . 9 1 1 A 48 48 GLN CB C 44 30.542 28.145 2.397 1
1 513 . 9 1 1 A 48 48 GLN N N 44 117.704 120.518 -2.814 1
1 515 . 9 1 1 A 49 49 ARG H H 45 8.100 8.059 0.041 1
1 516 . 9 1 1 A 49 49 ARG HA H 45 3.906 4.098 -0.192 1
1 521 . 9 1 1 A 49 49 ARG CA C 45 59.397 58.554 0.843 1
1 522 . 9 1 1 A 49 49 ARG CB C 45 29.993 29.973 0.020 1
1 523 . 9 1 1 A 49 49 ARG N N 45 120.984 119.872 1.112 1
1 524 . 9 1 1 A 50 50 ALA H H 46 8.279 7.478 0.801 1
1 525 . 9 1 1 A 50 50 ALA HA H 46 3.782 4.192 -0.410 1
1 529 . 9 1 1 A 50 50 ALA C C 46 178.073 178.810 -0.737 1
1 530 . 9 1 1 A 50 50 ALA CA C 46 51.408 54.387 -2.979 1
1 531 . 9 1 1 A 50 50 ALA CB C 46 18.883 18.760 0.123 1
1 532 . 9 1 1 A 50 50 ALA N N 46 118.254 122.449 -4.195 1
1 533 . 9 1 1 A 51 51 ASN H H 47 7.706 8.027 -0.321 1
1 534 . 9 1 1 A 51 51 ASN HA H 47 4.420 5.212 -0.792 1
1 539 . 9 1 1 A 51 51 ASN C C 47 174.974 175.739 -0.765 1
1 540 . 9 1 1 A 51 51 ASN CA C 47 54.303 53.297 1.006 1
1 541 . 9 1 1 A 51 51 ASN CB C 47 37.804 40.866 -3.062 1
1 543 . 9 1 1 A 51 51 ASN N N 47 115.277 112.269 3.008 1
1 545 . 9 1 1 A 52 52 GLY H H 48 8.702 7.280 1.422 1
1 546 . 9 1 1 A 52 52 GLY HA2 H 48 4.267 4.060 0.207 1
1 547 . 9 1 1 A 52 52 GLY HA3 H 48 3.379 4.062 -0.683 1
1 548 . 9 1 1 A 52 52 GLY CA C 48 45.176 45.526 -0.350 1
1 549 . 9 1 1 A 52 52 GLY N N 48 104.035 106.984 -2.949 1
1 550 . 9 1 1 A 53 53 ARG H H 49 7.116 7.719 -0.603 1
1 551 . 9 1 1 A 53 53 ARG HA H 49 4.144 4.753 -0.609 1
1 558 . 9 1 1 A 53 53 ARG C C 49 176.101 174.413 1.688 1
1 559 . 9 1 1 A 53 53 ARG CA C 49 57.285 54.936 2.349 1
1 560 . 9 1 1 A 53 53 ARG N N 49 121.384 116.325 5.059 1
1 561 . 9 1 1 A 54 54 ASN H H 50 7.958 8.724 -0.766 1
1 562 . 9 1 1 A 54 54 ASN HA H 50 4.589 5.144 -0.555 1
1 567 . 9 1 1 A 54 54 ASN CA C 50 51.568 52.963 -1.395 1
1 568 . 9 1 1 A 54 54 ASN CB C 50 38.018 42.193 -4.175 1
1 570 . 9 1 1 A 54 54 ASN N N 50 116.546 117.254 -0.708 1
1 572 . 9 1 1 A 55 55 THR H H 51 6.818 8.583 -1.765 1
1 573 . 9 1 1 A 55 55 THR HA H 51 4.283 4.623 -0.340 1
1 578 . 9 1 1 A 55 55 THR C C 51 172.509 173.889 -1.380 1
1 579 . 9 1 1 A 55 55 THR CA C 51 59.829 60.704 -0.875 1
1 580 . 9 1 1 A 55 55 THR CB C 51 70.400 69.800 0.600 1
1 582 . 9 1 1 A 55 55 THR N N 51 108.070 114.002 -5.932 1
1 583 . 9 1 1 A 56 56 PHE H H 52 8.444 7.417 1.027 1
1 584 . 9 1 1 A 56 56 PHE HA H 52 4.730 4.895 -0.165 1
1 592 . 9 1 1 A 56 56 PHE CA C 52 55.529 55.794 -0.265 1
1 593 . 9 1 1 A 56 56 PHE N N 52 116.926 121.179 -4.253 1
1 594 . 9 1 1 A 57 57 PRO CA C 53 62.827 63.027 -0.200 1
1 595 . 9 1 1 A 57 57 PRO CB C 53 35.258 33.191 2.067 1
1 596 . 9 1 1 A 58 58 GLN H H 54 8.070 8.535 -0.465 1
1 597 . 9 1 1 A 58 58 GLN HA H 54 4.853 5.116 -0.263 1
1 604 . 9 1 1 A 58 58 GLN C C 54 175.291 172.983 2.308 1
1 605 . 9 1 1 A 58 58 GLN CA C 54 55.071 55.096 -0.025 1
1 606 . 9 1 1 A 58 58 GLN CB C 54 32.237 31.094 1.143 1
1 607 . 9 1 1 A 58 58 GLN N N 54 113.697 116.375 -2.678 1
1 609 . 9 1 1 A 59 59 ILE H H 55 8.753 8.419 0.334 1
1 610 . 9 1 1 A 59 59 ILE HA H 55 5.089 4.930 0.159 1
1 620 . 9 1 1 A 59 59 ILE C C 55 174.164 174.979 -0.815 1
1 621 . 9 1 1 A 59 59 ILE CA C 55 61.194 60.404 0.790 1
1 622 . 9 1 1 A 59 59 ILE CB C 55 40.657 39.647 1.010 1
1 625 . 9 1 1 A 59 59 ILE N N 55 122.202 121.462 0.740 1
1 626 . 9 1 1 A 60 60 PHE H H 56 9.564 9.545 0.019 1
1 627 . 9 1 1 A 60 60 PHE HA H 56 5.390 5.349 0.041 1
1 635 . 9 1 1 A 60 60 PHE C C 56 174.305 175.246 -0.941 1
1 636 . 9 1 1 A 60 60 PHE CA C 56 56.614 56.724 -0.110 1
1 637 . 9 1 1 A 60 60 PHE CB C 56 42.488 42.334 0.154 1
1 638 . 9 1 1 A 60 60 PHE N N 56 127.604 127.357 0.247 1
1 639 . 9 1 1 A 61 61 ILE H H 57 9.231 8.441 0.790 1
1 640 . 9 1 1 A 61 61 ILE HA H 57 4.483 4.820 -0.337 1
1 650 . 9 1 1 A 61 61 ILE C C 57 176.418 175.505 0.913 1
1 651 . 9 1 1 A 61 61 ILE CA C 57 60.800 59.333 1.467 1
1 652 . 9 1 1 A 61 61 ILE CB C 57 39.431 41.014 -1.583 1
1 656 . 9 1 1 A 61 61 ILE N N 57 121.606 120.885 0.721 1
1 657 . 9 1 1 A 62 62 GLY H H 58 9.118 9.448 -0.330 1
1 658 . 9 1 1 A 62 62 GLY HA2 H 58 4.092 3.877 0.215 1
1 659 . 9 1 1 A 62 62 GLY HA3 H 58 3.951 3.883 0.068 1
1 660 . 9 1 1 A 62 62 GLY C C 58 174.058 174.030 0.028 1
1 661 . 9 1 1 A 62 62 GLY CA C 58 47.516 47.170 0.346 1
1 662 . 9 1 1 A 62 62 GLY N N 58 118.483 114.006 4.477 1
1 663 . 9 1 1 A 63 63 ASP H H 59 8.944 8.789 0.155 1
1 664 . 9 1 1 A 63 63 ASP HA H 59 4.762 4.615 0.147 1
1 667 . 9 1 1 A 63 63 ASP C C 59 175.220 174.426 0.794 1
1 668 . 9 1 1 A 63 63 ASP CA C 59 54.467 55.690 -1.223 1
1 669 . 9 1 1 A 63 63 ASP CB C 59 40.913 39.653 1.260 1
1 670 . 9 1 1 A 63 63 ASP N N 59 125.981 111.872 14.109 1
1 671 . 9 1 1 A 64 64 TYR H H 60 8.332 7.913 0.419 1
1 672 . 9 1 1 A 64 64 TYR HA H 60 4.600 4.667 -0.067 1
1 679 . 9 1 1 A 64 64 TYR C C 60 174.023 173.236 0.787 1
1 680 . 9 1 1 A 64 64 TYR CA C 60 57.761 57.008 0.753 1
1 681 . 9 1 1 A 64 64 TYR CB C 60 33.473 41.114 -7.641 1
1 682 . 9 1 1 A 64 64 TYR N N 60 122.443 118.884 3.559 1
1 683 . 9 1 1 A 65 65 HIS H H 61 8.625 8.053 0.572 1
1 684 . 9 1 1 A 65 65 HIS HA H 61 4.200 3.711 0.489 1
1 689 . 9 1 1 A 65 65 HIS C C 61 171.910 174.553 -2.643 1
1 690 . 9 1 1 A 65 65 HIS CA C 61 53.347 54.819 -1.472 1
1 691 . 9 1 1 A 65 65 HIS CB C 61 28.830 29.691 -0.861 1
1 692 . 9 1 1 A 65 65 HIS N N 61 129.863 122.557 7.306 1
1 693 . 9 1 1 A 66 66 VAL H H 62 8.059 8.876 -0.817 1
1 694 . 9 1 1 A 66 66 VAL HA H 62 3.316 3.460 -0.144 1
1 702 . 9 1 1 A 66 66 VAL CA C 62 64.194 64.333 -0.139 1
1 703 . 9 1 1 A 66 66 VAL CB C 62 32.770 32.174 0.596 1
1 705 . 9 1 1 A 66 66 VAL N N 62 129.219 122.285 6.934 1
1 706 . 9 1 1 A 67 67 GLY H H 63 6.327 7.414 -1.087 1
1 707 . 9 1 1 A 67 67 GLY HA2 H 63 4.503 4.157 0.346 1
1 708 . 9 1 1 A 67 67 GLY HA3 H 63 2.870 4.159 -1.289 1
1 709 . 9 1 1 A 67 67 GLY C C 63 172.156 172.814 -0.658 1
1 710 . 9 1 1 A 67 67 GLY CA C 63 43.551 45.847 -2.296 1
1 711 . 9 1 1 A 67 67 GLY N N 63 102.548 105.919 -3.371 1
1 712 . 9 1 1 A 68 68 GLY H H 64 9.095 8.379 0.716 1
1 713 . 9 1 1 A 68 68 GLY HA2 H 64 4.863 4.062 0.801 1
1 714 . 9 1 1 A 68 68 GLY HA3 H 64 3.821 4.062 -0.241 1
1 715 . 9 1 1 A 68 68 GLY C C 64 172.509 175.360 -2.851 1
1 716 . 9 1 1 A 68 68 GLY CA C 64 43.870 44.694 -0.824 1
1 717 . 9 1 1 A 68 68 GLY N N 64 110.080 113.269 -3.189 1
1 718 . 9 1 1 A 69 69 CYS H H 65 8.398 9.001 -0.603 1
1 719 . 9 1 1 A 69 69 CYS HA H 65 3.846 4.256 -0.410 1
1 722 . 9 1 1 A 69 69 CYS C C 65 173.741 176.442 -2.701 1
1 723 . 9 1 1 A 69 69 CYS CA C 65 62.944 62.611 0.333 1
1 724 . 9 1 1 A 69 69 CYS CB C 65 45.022 26.953 18.069 1
1 725 . 9 1 1 A 69 69 CYS N N 65 118.292 119.527 -1.235 1
1 726 . 9 1 1 A 70 70 ASP H H 66 9.110 8.428 0.682 1
1 727 . 9 1 1 A 70 70 ASP HA H 66 5.745 4.433 1.312 1
1 730 . 9 1 1 A 70 70 ASP C C 66 178.777 177.885 0.892 1
1 731 . 9 1 1 A 70 70 ASP CA C 66 57.437 57.406 0.031 1
1 732 . 9 1 1 A 70 70 ASP CB C 66 40.016 41.812 -1.796 1
1 733 . 9 1 1 A 70 70 ASP N N 66 123.178 120.752 2.426 1
1 734 . 9 1 1 A 71 71 ASP H H 67 7.301 8.239 -0.938 1
1 735 . 9 1 1 A 71 71 ASP HA H 67 4.362 4.312 0.050 1
1 738 . 9 1 1 A 71 71 ASP C C 67 177.474 178.614 -1.140 1
1 739 . 9 1 1 A 71 71 ASP CA C 67 57.381 57.606 -0.225 1
1 740 . 9 1 1 A 71 71 ASP CB C 67 41.503 41.676 -0.173 1
1 741 . 9 1 1 A 71 71 ASP N N 67 119.848 118.997 0.851 1
1 742 . 9 1 1 A 72 72 LEU H H 68 7.805 7.654 0.151 1
1 743 . 9 1 1 A 72 72 LEU HA H 68 3.822 4.049 -0.227 1
1 753 . 9 1 1 A 72 72 LEU C C 68 177.509 178.534 -1.025 1
1 754 . 9 1 1 A 72 72 LEU CA C 68 58.446 57.908 0.538 1
1 755 . 9 1 1 A 72 72 LEU CB C 68 42.524 41.533 0.991 1
1 757 . 9 1 1 A 72 72 LEU N N 68 121.720 118.017 3.703 1
1 758 . 9 1 1 A 73 73 TYR H H 69 8.229 7.961 0.268 1
1 759 . 9 1 1 A 73 73 TYR HA H 69 3.772 4.334 -0.562 1
1 766 . 9 1 1 A 73 73 TYR C C 69 177.721 178.167 -0.446 1
1 767 . 9 1 1 A 73 73 TYR CA C 69 62.867 60.527 2.340 1
1 768 . 9 1 1 A 73 73 TYR CB C 69 38.215 38.073 0.142 1
1 769 . 9 1 1 A 73 73 TYR N N 69 116.501 120.215 -3.714 1
1 770 . 9 1 1 A 74 74 ALA H H 70 8.275 8.746 -0.471 1
1 771 . 9 1 1 A 74 74 ALA HA H 70 4.286 4.117 0.169 1
1 775 . 9 1 1 A 74 74 ALA C C 70 180.045 180.026 0.019 1
1 776 . 9 1 1 A 74 74 ALA CA C 70 55.701 55.263 0.438 1
1 777 . 9 1 1 A 74 74 ALA CB C 70 17.944 18.210 -0.266 1
1 778 . 9 1 1 A 74 74 ALA N N 70 122.883 121.544 1.339 1
1 779 . 9 1 1 A 75 75 LEU H H 71 7.558 8.280 -0.722 1
1 780 . 9 1 1 A 75 75 LEU HA H 71 3.975 3.866 0.109 1
1 790 . 9 1 1 A 75 75 LEU C C 71 179.024 179.108 -0.084 1
1 791 . 9 1 1 A 75 75 LEU CA C 71 57.994 58.206 -0.212 1
1 792 . 9 1 1 A 75 75 LEU CB C 71 42.836 41.610 1.226 1
1 793 . 9 1 1 A 75 75 LEU N N 71 117.133 117.812 -0.679 1
1 794 . 9 1 1 A 76 76 GLU H H 72 7.587 8.369 -0.782 1
1 795 . 9 1 1 A 76 76 GLU HA H 72 4.473 3.888 0.585 1
1 800 . 9 1 1 A 76 76 GLU C C 72 179.270 178.406 0.864 1
1 801 . 9 1 1 A 76 76 GLU CA C 72 58.296 59.547 -1.251 1
1 802 . 9 1 1 A 76 76 GLU CB C 72 28.457 29.450 -0.993 1
1 803 . 9 1 1 A 76 76 GLU N N 72 121.576 119.187 2.389 1
1 804 . 9 1 1 A 77 77 ASN H H 73 8.863 7.891 0.972 1
1 805 . 9 1 1 A 77 77 ASN HA H 73 4.511 4.501 0.010 1
1 810 . 9 1 1 A 77 77 ASN C C 73 176.664 177.100 -0.436 1
1 811 . 9 1 1 A 77 77 ASN CA C 73 55.944 55.373 0.571 1
1 812 . 9 1 1 A 77 77 ASN CB C 73 38.660 38.613 0.047 1
1 814 . 9 1 1 A 77 77 ASN N N 73 120.232 117.540 2.692 1
1 816 . 9 1 1 A 78 78 LYS H H 74 7.617 7.607 0.010 1
1 817 . 9 1 1 A 78 78 LYS HA H 74 4.426 4.309 0.117 1
1 826 . 9 1 1 A 78 78 LYS C C 74 176.312 176.449 -0.137 1
1 827 . 9 1 1 A 78 78 LYS CA C 74 55.863 56.278 -0.415 1
1 828 . 9 1 1 A 78 78 LYS CB C 74 33.482 33.035 0.447 1
1 829 . 9 1 1 A 78 78 LYS N N 74 115.597 116.700 -1.103 1
1 830 . 9 1 1 A 79 79 GLY H H 75 8.023 7.635 0.388 1
1 831 . 9 1 1 A 79 79 GLY HA2 H 75 4.060 4.015 0.045 1
1 832 . 9 1 1 A 79 79 GLY HA3 H 75 4.060 4.017 0.043 1
1 833 . 9 1 1 A 79 79 GLY C C 75 175.009 175.661 -0.652 1
1 834 . 9 1 1 A 79 79 GLY CA C 75 46.234 45.092 1.142 1
1 835 . 9 1 1 A 79 79 GLY N N 75 109.073 105.613 3.460 1
1 836 . 9 1 1 A 80 80 LYS H H 76 8.091 8.416 -0.325 1
1 837 . 9 1 1 A 80 80 LYS HA H 76 4.422 4.389 0.033 1
1 846 . 9 1 1 A 80 80 LYS C C 76 173.037 177.219 -4.182 1
1 847 . 9 1 1 A 80 80 LYS CA C 76 55.679 56.616 -0.937 1
1 848 . 9 1 1 A 80 80 LYS CB C 76 35.038 32.727 2.311 1
1 849 . 9 1 1 A 80 80 LYS N N 76 116.888 119.819 -2.931 1
1 850 . 9 1 1 A 81 81 LEU H H 77 7.411 7.714 -0.303 1
1 851 . 9 1 1 A 81 81 LEU HA H 77 4.003 3.944 0.059 1
1 861 . 9 1 1 A 81 81 LEU C C 77 177.333 177.951 -0.618 1
1 862 . 9 1 1 A 81 81 LEU CA C 77 57.512 58.172 -0.660 1
1 863 . 9 1 1 A 81 81 LEU CB C 77 40.676 41.083 -0.407 1
1 864 . 9 1 1 A 81 81 LEU N N 77 122.079 122.139 -0.060 1
1 865 . 9 1 1 A 82 82 ASP H H 78 8.613 8.450 0.163 1
1 866 . 9 1 1 A 82 82 ASP HA H 78 4.232 4.306 -0.074 1
1 869 . 9 1 1 A 82 82 ASP C C 78 178.354 178.632 -0.278 1
1 870 . 9 1 1 A 82 82 ASP CA C 78 58.438 57.812 0.626 1
1 871 . 9 1 1 A 82 82 ASP CB C 78 39.890 40.582 -0.692 1
1 872 . 9 1 1 A 82 82 ASP N N 78 118.813 118.838 -0.025 1
1 873 . 9 1 1 A 83 83 SER H H 79 7.886 7.866 0.020 1
1 874 . 9 1 1 A 83 83 SER HA H 79 4.164 4.167 -0.003 1
1 877 . 9 1 1 A 83 83 SER C C 79 176.171 177.555 -1.384 1
1 878 . 9 1 1 A 83 83 SER CA C 79 61.285 61.487 -0.202 1
1 879 . 9 1 1 A 83 83 SER CB C 79 62.632 63.129 -0.497 1
1 880 . 9 1 1 A 83 83 SER N N 79 113.338 114.013 -0.675 1
1 881 . 9 1 1 A 84 84 LEU H H 80 7.354 8.130 -0.776 1
1 882 . 9 1 1 A 84 84 LEU HA H 80 4.152 3.965 0.187 1
1 892 . 9 1 1 A 84 84 LEU C C 80 173.671 178.434 -4.763 1
1 893 . 9 1 1 A 84 84 LEU CA C 80 56.841 58.222 -1.381 1
1 894 . 9 1 1 A 84 84 LEU CB C 80 42.682 41.818 0.864 1
1 897 . 9 1 1 A 84 84 LEU N N 80 121.453 121.689 -0.236 1
1 898 . 9 1 1 A 85 85 LEU H H 81 7.655 8.748 -1.093 1
1 899 . 9 1 1 A 85 85 LEU HA H 81 4.113 3.952 0.161 1
1 909 . 9 1 1 A 85 85 LEU C C 81 177.333 178.438 -1.105 1
1 910 . 9 1 1 A 85 85 LEU CA C 81 55.748 58.146 -2.398 1
1 911 . 9 1 1 A 85 85 LEU CB C 81 41.707 40.978 0.729 1
1 914 . 9 1 1 A 85 85 LEU N N 81 115.497 118.470 -2.973 1
1 915 . 9 1 1 A 86 86 GLN H H 82 7.414 8.151 -0.737 1
1 916 . 9 1 1 A 86 86 GLN HA H 82 4.177 4.052 0.125 1
1 923 . 9 1 1 A 86 86 GLN C C 82 175.537 177.612 -2.075 1
1 924 . 9 1 1 A 86 86 GLN CA C 82 56.986 58.584 -1.598 1
1 925 . 9 1 1 A 86 86 GLN CB C 82 29.187 28.228 0.959 1
1 928 . 9 1 1 A 86 86 GLN N N 82 117.020 118.450 -1.430 1
1 930 . 9 1 1 A 87 87 ASP H H 83 8.092 8.204 -0.112 1
1 931 . 9 1 1 A 87 87 ASP HA H 83 4.672 4.580 0.092 1
1 934 . 9 1 1 A 87 87 ASP C C 83 177.263 177.817 -0.554 1
1 935 . 9 1 1 A 87 87 ASP CA C 83 54.394 56.755 -2.361 1
1 936 . 9 1 1 A 87 87 ASP CB C 83 40.722 40.804 -0.082 1
1 937 . 9 1 1 A 87 87 ASP N N 83 119.072 118.139 0.933 1
1 938 . 9 1 1 A 88 88 VAL H H 84 7.692 7.597 0.095 1
1 939 . 9 1 1 A 88 88 VAL HA H 84 4.175 4.034 0.141 1
1 947 . 9 1 1 A 88 88 VAL C C 84 174.164 176.936 -2.772 1
1 948 . 9 1 1 A 88 88 VAL CA C 84 62.165 64.986 -2.821 1
1 949 . 9 1 1 A 88 88 VAL CB C 84 32.284 31.807 0.477 1
1 952 . 9 1 1 A 88 88 VAL N N 84 118.778 113.083 5.695 1
1 1 . 10 1 1 A 2 2 PRO C C -2 177.005 176.269 0.736 1
1 2 . 10 1 1 A 2 2 PRO CA C -2 63.481 62.590 0.891 1
1 3 . 10 1 1 A 2 2 PRO CB C -2 32.244 33.318 -1.074 1
1 4 . 10 1 1 A 3 3 GLY H H -1 8.665 8.293 0.372 1
1 5 . 10 1 1 A 3 3 GLY HA2 H -1 3.985 4.223 -0.238 1
1 6 . 10 1 1 A 3 3 GLY HA3 H -1 3.985 4.229 -0.244 1
1 7 . 10 1 1 A 3 3 GLY C C -1 173.706 172.119 1.587 1
1 8 . 10 1 1 A 3 3 GLY CA C -1 45.291 45.860 -0.569 1
1 9 . 10 1 1 A 3 3 GLY N N -1 109.788 106.752 3.036 1
1 10 . 10 1 1 A 4 4 SER H H 0 8.190 8.659 -0.469 1
1 11 . 10 1 1 A 4 4 SER HA H 0 4.477 5.231 -0.754 1
1 14 . 10 1 1 A 4 4 SER C C 0 175.738 172.918 2.820 1
1 15 . 10 1 1 A 4 4 SER CA C 0 58.322 56.670 1.652 1
1 16 . 10 1 1 A 4 4 SER CB C 0 63.927 65.127 -1.200 1
1 17 . 10 1 1 A 4 4 SER N N 0 115.613 115.593 0.020 1
1 18 . 10 1 1 A 5 5 MET H H 1 8.458 8.900 -0.442 1
1 19 . 10 1 1 A 5 5 MET HA H 1 4.320 5.075 -0.755 1
1 27 . 10 1 1 A 5 5 MET C C 1 173.977 174.303 -0.326 1
1 28 . 10 1 1 A 5 5 MET CA C 1 56.011 54.036 1.975 1
1 29 . 10 1 1 A 5 5 MET CB C 1 33.797 35.540 -1.743 1
1 30 . 10 1 1 A 5 5 MET N N 1 122.334 124.274 -1.940 1
1 31 . 10 1 1 A 6 6 LYS H H 2 8.445 8.411 0.034 1
1 32 . 10 1 1 A 6 6 LYS HA H 2 4.566 4.799 -0.233 1
1 39 . 10 1 1 A 6 6 LYS C C 2 174.575 175.703 -1.128 1
1 40 . 10 1 1 A 6 6 LYS CA C 2 55.887 55.046 0.841 1
1 41 . 10 1 1 A 6 6 LYS CB C 2 33.848 34.604 -0.756 1
1 42 . 10 1 1 A 6 6 LYS N N 2 122.229 120.041 2.188 1
1 43 . 10 1 1 A 7 7 GLU H H 3 8.324 9.190 -0.866 1
1 44 . 10 1 1 A 7 7 GLU HA H 3 4.440 5.062 -0.622 1
1 49 . 10 1 1 A 7 7 GLU C C 3 175.491 173.920 1.571 1
1 50 . 10 1 1 A 7 7 GLU CA C 3 55.680 54.617 1.063 1
1 51 . 10 1 1 A 7 7 GLU CB C 3 31.513 33.401 -1.888 1
1 52 . 10 1 1 A 7 7 GLU N N 3 121.539 117.291 4.248 1
1 53 . 10 1 1 A 8 8 ILE H H 4 9.014 8.995 0.019 1
1 54 . 10 1 1 A 8 8 ILE HA H 4 5.025 5.081 -0.056 1
1 64 . 10 1 1 A 8 8 ILE C C 4 174.199 173.631 0.568 1
1 65 . 10 1 1 A 8 8 ILE CA C 4 60.927 59.859 1.068 1
1 66 . 10 1 1 A 8 8 ILE CB C 4 38.759 41.054 -2.295 1
1 69 . 10 1 1 A 8 8 ILE N N 4 127.255 124.066 3.189 1
1 70 . 10 1 1 A 9 9 ILE H H 5 9.104 9.298 -0.194 1
1 71 . 10 1 1 A 9 9 ILE HA H 5 4.900 4.884 0.016 1
1 81 . 10 1 1 A 9 9 ILE C C 5 173.906 175.020 -1.114 1
1 82 . 10 1 1 A 9 9 ILE CA C 5 59.727 60.029 -0.302 1
1 83 . 10 1 1 A 9 9 ILE CB C 5 41.627 41.042 0.585 1
1 87 . 10 1 1 A 9 9 ILE N N 5 128.326 129.165 -0.839 1
1 88 . 10 1 1 A 10 10 LEU H H 6 8.891 9.079 -0.188 1
1 89 . 10 1 1 A 10 10 LEU HA H 6 5.157 5.184 -0.027 1
1 96 . 10 1 1 A 10 10 LEU CA C 6 54.076 53.506 0.570 1
1 97 . 10 1 1 A 10 10 LEU CB C 6 44.892 43.862 1.030 1
1 100 . 10 1 1 A 10 10 LEU N N 6 125.779 126.832 -1.053 1
1 101 . 10 1 1 A 11 11 TYR H H 7 9.099 9.284 -0.185 1
1 102 . 10 1 1 A 11 11 TYR HA H 7 4.336 5.252 -0.916 1
1 109 . 10 1 1 A 11 11 TYR C C 7 177.041 175.642 1.399 1
1 110 . 10 1 1 A 11 11 TYR CA C 7 57.379 56.703 0.676 1
1 111 . 10 1 1 A 11 11 TYR CB C 7 40.345 40.008 0.337 1
1 112 . 10 1 1 A 12 12 THR H H 8 9.286 8.617 0.669 1
1 113 . 10 1 1 A 12 12 THR HA H 8 5.105 5.022 0.083 1
1 118 . 10 1 1 A 12 12 THR C C 8 172.005 173.172 -1.167 1
1 119 . 10 1 1 A 12 12 THR CA C 8 60.604 61.042 -0.438 1
1 120 . 10 1 1 A 12 12 THR CB C 8 73.108 70.842 2.266 1
1 122 . 10 1 1 A 12 12 THR N N 8 111.938 114.567 -2.629 1
1 123 . 10 1 1 A 13 13 ARG H H 9 7.513 8.545 -1.032 1
1 124 . 10 1 1 A 13 13 ARG HA H 9 4.826 4.806 0.020 1
1 131 . 10 1 1 A 13 13 ARG CA C 9 52.836 54.205 -1.369 1
1 132 . 10 1 1 A 13 13 ARG CB C 9 31.436 30.830 0.606 1
1 133 . 10 1 1 A 13 13 ARG N N 9 114.036 120.600 -6.564 1
1 134 . 10 1 1 A 14 14 PRO HA H 10 4.294 4.477 -0.183 1
1 141 . 10 1 1 A 14 14 PRO C C 10 176.477 177.087 -0.610 1
1 142 . 10 1 1 A 14 14 PRO CA C 10 63.464 64.206 -0.742 1
1 143 . 10 1 1 A 14 14 PRO CB C 10 32.615 31.618 0.997 1
1 144 . 10 1 1 A 15 15 ASN H H 11 8.987 8.359 0.628 1
1 145 . 10 1 1 A 15 15 ASN HA H 11 4.240 4.945 -0.705 1
1 150 . 10 1 1 A 15 15 ASN C C 11 176.266 174.400 1.866 1
1 151 . 10 1 1 A 15 15 ASN CA C 11 54.464 51.900 2.564 1
1 152 . 10 1 1 A 15 15 ASN CB C 11 37.500 37.967 -0.467 1
1 154 . 10 1 1 A 15 15 ASN N N 11 115.463 115.434 0.029 1
1 156 . 10 1 1 A 16 16 CYS H H 12 7.324 7.559 -0.235 1
1 157 . 10 1 1 A 16 16 CYS HA H 12 4.931 4.552 0.379 1
1 160 . 10 1 1 A 16 16 CYS CA C 12 56.277 55.625 0.652 1
1 161 . 10 1 1 A 16 16 CYS N N 12 123.174 121.437 1.737 1
1 162 . 10 1 1 A 17 17 PRO C C 13 178.555 178.417 0.138 1
1 163 . 10 1 1 A 17 17 PRO CA C 13 64.409 65.478 -1.069 1
1 164 . 10 1 1 A 17 17 PRO CB C 13 33.538 31.735 1.803 1
1 165 . 10 1 1 A 18 18 TYR H H 14 9.325 8.205 1.120 1
1 166 . 10 1 1 A 18 18 TYR HA H 14 4.404 4.329 0.075 1
1 173 . 10 1 1 A 18 18 TYR CA C 14 60.921 60.325 0.596 1
1 174 . 10 1 1 A 18 18 TYR N N 14 127.149 115.072 12.077 1
1 175 . 10 1 1 A 19 19 CYS H H 15 9.687 7.567 2.120 1
1 176 . 10 1 1 A 19 19 CYS HA H 15 4.725 3.962 0.763 1
1 177 . 10 1 1 A 19 19 CYS C C 15 174.998 176.787 -1.789 1
1 178 . 10 1 1 A 19 19 CYS CA C 15 64.573 62.003 2.570 1
1 179 . 10 1 1 A 19 19 CYS CB C 15 29.227 26.490 2.737 1
1 180 . 10 1 1 A 19 19 CYS N N 15 127.652 120.038 7.614 1
1 181 . 10 1 1 A 20 20 LYS H H 16 7.706 7.921 -0.215 1
1 182 . 10 1 1 A 20 20 LYS HA H 16 3.946 4.014 -0.068 1
1 191 . 10 1 1 A 20 20 LYS C C 16 177.252 178.563 -1.311 1
1 192 . 10 1 1 A 20 20 LYS CA C 16 59.857 59.144 0.713 1
1 193 . 10 1 1 A 20 20 LYS CB C 16 32.542 32.039 0.503 1
1 194 . 10 1 1 A 20 20 LYS N N 16 119.200 119.652 -0.452 1
1 195 . 10 1 1 A 21 21 ARG H H 17 7.839 8.058 -0.219 1
1 196 . 10 1 1 A 21 21 ARG HA H 17 4.176 4.066 0.110 1
1 203 . 10 1 1 A 21 21 ARG C C 17 179.858 179.039 0.819 1
1 204 . 10 1 1 A 21 21 ARG CA C 17 59.647 59.203 0.444 1
1 205 . 10 1 1 A 21 21 ARG CB C 17 30.340 29.925 0.415 1
1 206 . 10 1 1 A 21 21 ARG N N 17 117.964 119.442 -1.478 1
1 207 . 10 1 1 A 22 22 ALA H H 18 8.084 7.961 0.123 1
1 208 . 10 1 1 A 22 22 ALA HA H 18 4.168 4.135 0.033 1
1 212 . 10 1 1 A 22 22 ALA C C 18 177.322 179.450 -2.128 1
1 213 . 10 1 1 A 22 22 ALA CA C 18 55.859 55.431 0.428 1
1 214 . 10 1 1 A 22 22 ALA CB C 18 19.047 18.328 0.719 1
1 215 . 10 1 1 A 22 22 ALA N N 18 124.839 121.677 3.162 1
1 216 . 10 1 1 A 23 23 ARG H H 19 7.811 7.928 -0.117 1
1 217 . 10 1 1 A 23 23 ARG HA H 19 3.320 3.516 -0.196 1
1 224 . 10 1 1 A 23 23 ARG C C 19 177.217 178.013 -0.796 1
1 225 . 10 1 1 A 23 23 ARG CA C 19 60.780 58.622 2.158 1
1 226 . 10 1 1 A 23 23 ARG CB C 19 30.828 29.644 1.184 1
1 227 . 10 1 1 A 23 23 ARG N N 19 116.980 117.200 -0.220 1
1 228 . 10 1 1 A 24 24 ASP H H 20 8.710 8.102 0.608 1
1 229 . 10 1 1 A 24 24 ASP HA H 20 4.299 4.420 -0.121 1
1 232 . 10 1 1 A 24 24 ASP C C 20 178.625 178.341 0.284 1
1 233 . 10 1 1 A 24 24 ASP CA C 20 57.477 57.528 -0.051 1
1 234 . 10 1 1 A 24 24 ASP CB C 20 40.551 41.728 -1.177 1
1 235 . 10 1 1 A 24 24 ASP N N 20 116.717 120.248 -3.531 1
1 236 . 10 1 1 A 25 25 LEU H H 21 7.114 8.036 -0.922 1
1 237 . 10 1 1 A 25 25 LEU HA H 21 4.131 4.117 0.014 1
1 246 . 10 1 1 A 25 25 LEU C C 21 177.580 178.435 -0.855 1
1 247 . 10 1 1 A 25 25 LEU CA C 21 57.857 58.386 -0.529 1
1 248 . 10 1 1 A 25 25 LEU CB C 21 41.654 41.395 0.259 1
1 251 . 10 1 1 A 25 25 LEU N N 21 119.808 120.701 -0.893 1
1 252 . 10 1 1 A 26 26 LEU H H 22 7.294 8.116 -0.822 1
1 253 . 10 1 1 A 26 26 LEU HA H 22 3.767 3.851 -0.084 1
1 262 . 10 1 1 A 26 26 LEU C C 22 178.696 178.641 0.055 1
1 263 . 10 1 1 A 26 26 LEU CA C 22 58.107 58.189 -0.082 1
1 264 . 10 1 1 A 26 26 LEU CB C 22 40.750 41.700 -0.950 1
1 267 . 10 1 1 A 26 26 LEU N N 22 117.901 118.664 -0.763 1
1 268 . 10 1 1 A 27 27 ASP H H 23 9.446 8.357 1.089 1
1 269 . 10 1 1 A 27 27 ASP HA H 23 4.608 4.422 0.186 1
1 272 . 10 1 1 A 27 27 ASP C C 23 180.104 178.819 1.285 1
1 273 . 10 1 1 A 27 27 ASP CA C 23 57.406 57.819 -0.413 1
1 274 . 10 1 1 A 27 27 ASP CB C 23 39.839 42.388 -2.549 1
1 275 . 10 1 1 A 27 27 ASP N N 23 119.946 118.644 1.302 1
1 276 . 10 1 1 A 28 28 LYS H H 24 7.915 8.256 -0.341 1
1 277 . 10 1 1 A 28 28 LYS HA H 24 4.079 4.011 0.068 1
1 286 . 10 1 1 A 28 28 LYS C C 24 178.414 179.085 -0.671 1
1 287 . 10 1 1 A 28 28 LYS CA C 24 59.295 59.219 0.076 1
1 288 . 10 1 1 A 28 28 LYS CB C 24 32.342 32.115 0.227 1
1 289 . 10 1 1 A 28 28 LYS N N 24 122.484 119.437 3.047 1
1 290 . 10 1 1 A 29 29 LYS H H 25 7.763 7.707 0.056 1
1 291 . 10 1 1 A 29 29 LYS HA H 25 4.195 4.231 -0.036 1
1 300 . 10 1 1 A 29 29 LYS C C 25 176.583 177.039 -0.456 1
1 301 . 10 1 1 A 29 29 LYS CA C 25 56.122 56.649 -0.527 1
1 302 . 10 1 1 A 29 29 LYS CB C 25 32.771 32.785 -0.014 1
1 303 . 10 1 1 A 29 29 LYS N N 25 116.683 116.180 0.503 1
1 304 . 10 1 1 A 30 30 GLY H H 26 7.961 8.088 -0.127 1
1 305 . 10 1 1 A 30 30 GLY HA2 H 26 4.005 4.057 -0.052 1
1 306 . 10 1 1 A 30 30 GLY HA3 H 26 3.894 4.061 -0.167 1
1 307 . 10 1 1 A 30 30 GLY C C 26 174.223 173.929 0.294 1
1 308 . 10 1 1 A 30 30 GLY CA C 26 46.265 46.214 0.051 1
1 309 . 10 1 1 A 30 30 GLY N N 26 108.209 106.874 1.335 1
1 310 . 10 1 1 A 31 31 VAL H H 27 7.440 7.375 0.065 1
1 311 . 10 1 1 A 31 31 VAL HA H 27 4.355 4.849 -0.494 1
1 319 . 10 1 1 A 31 31 VAL C C 27 174.294 174.425 -0.131 1
1 320 . 10 1 1 A 31 31 VAL CA C 27 60.115 59.339 0.776 1
1 321 . 10 1 1 A 31 31 VAL CB C 27 33.737 35.759 -2.022 1
1 323 . 10 1 1 A 31 31 VAL N N 27 114.927 114.800 0.127 1
1 324 . 10 1 1 A 32 32 LYS H H 28 8.408 8.675 -0.267 1
1 325 . 10 1 1 A 32 32 LYS HA H 28 4.268 4.843 -0.575 1
1 334 . 10 1 1 A 32 32 LYS C C 28 175.385 175.405 -0.020 1
1 335 . 10 1 1 A 32 32 LYS CA C 28 55.441 55.069 0.372 1
1 336 . 10 1 1 A 32 32 LYS CB C 28 33.269 33.071 0.198 1
1 337 . 10 1 1 A 32 32 LYS N N 28 124.540 121.314 3.226 1
1 338 . 10 1 1 A 33 33 TYR H H 29 7.451 8.860 -1.409 1
1 339 . 10 1 1 A 33 33 TYR HA H 29 5.149 5.603 -0.454 1
1 346 . 10 1 1 A 33 33 TYR C C 29 173.730 175.024 -1.294 1
1 347 . 10 1 1 A 33 33 TYR CA C 29 57.198 56.050 1.148 1
1 348 . 10 1 1 A 33 33 TYR CB C 29 41.499 40.652 0.847 1
1 353 . 10 1 1 A 33 33 TYR N N 29 117.090 124.196 -7.106 1
1 354 . 10 1 1 A 34 34 THR H H 30 9.106 8.990 0.116 1
1 355 . 10 1 1 A 34 34 THR HA H 30 4.368 4.845 -0.477 1
1 360 . 10 1 1 A 34 34 THR C C 30 171.336 172.774 -1.438 1
1 361 . 10 1 1 A 34 34 THR CA C 30 62.096 61.342 0.754 1
1 362 . 10 1 1 A 34 34 THR CB C 30 70.603 69.865 0.738 1
1 364 . 10 1 1 A 34 34 THR N N 30 119.343 117.484 1.859 1
1 365 . 10 1 1 A 35 35 ASP H H 31 8.772 8.929 -0.157 1
1 366 . 10 1 1 A 35 35 ASP HA H 31 5.283 4.823 0.460 1
1 369 . 10 1 1 A 35 35 ASP C C 31 175.245 174.651 0.594 1
1 370 . 10 1 1 A 35 35 ASP CA C 31 52.549 53.271 -0.722 1
1 371 . 10 1 1 A 35 35 ASP CB C 31 42.286 41.572 0.714 1
1 372 . 10 1 1 A 35 35 ASP N N 31 129.184 127.516 1.668 1
1 373 . 10 1 1 A 36 36 ILE H H 32 9.283 8.977 0.306 1
1 374 . 10 1 1 A 36 36 ILE HA H 32 4.081 4.354 -0.273 1
1 384 . 10 1 1 A 36 36 ILE C C 32 175.854 175.401 0.453 1
1 385 . 10 1 1 A 36 36 ILE CA C 32 60.226 60.152 0.074 1
1 386 . 10 1 1 A 36 36 ILE CB C 32 39.998 38.107 1.891 1
1 388 . 10 1 1 A 36 36 ILE N N 32 129.240 127.284 1.956 1
1 389 . 10 1 1 A 37 37 ASP H H 33 8.298 8.828 -0.530 1
1 390 . 10 1 1 A 37 37 ASP HA H 33 4.648 4.586 0.062 1
1 393 . 10 1 1 A 37 37 ASP CA C 33 54.101 54.651 -0.550 1
1 394 . 10 1 1 A 37 37 ASP CB C 33 40.536 41.308 -0.772 1
1 395 . 10 1 1 A 37 37 ASP N N 33 125.570 128.054 -2.484 1
1 396 . 10 1 1 A 38 38 ALA H H 34 9.840 8.780 1.060 1
1 397 . 10 1 1 A 38 38 ALA HA H 34 4.620 4.091 0.529 1
1 401 . 10 1 1 A 38 38 ALA C C 34 175.185 178.692 -3.507 1
1 402 . 10 1 1 A 38 38 ALA CA C 34 51.239 55.053 -3.814 1
1 403 . 10 1 1 A 38 38 ALA CB C 34 20.627 18.362 2.265 1
1 404 . 10 1 1 A 38 38 ALA N N 34 134.980 124.850 10.130 1
1 405 . 10 1 1 A 39 39 SER H H 35 8.679 7.644 1.035 1
1 406 . 10 1 1 A 39 39 SER HA H 35 4.189 4.278 -0.089 1
1 409 . 10 1 1 A 39 39 SER C C 35 175.713 176.278 -0.565 1
1 410 . 10 1 1 A 39 39 SER CA C 35 60.956 60.712 0.244 1
1 411 . 10 1 1 A 39 39 SER CB C 35 64.425 63.732 0.693 1
1 412 . 10 1 1 A 39 39 SER N N 35 111.865 115.266 -3.401 1
1 413 . 10 1 1 A 40 40 THR H H 36 8.438 8.733 -0.295 1
1 414 . 10 1 1 A 40 40 THR HA H 36 4.672 4.077 0.595 1
1 419 . 10 1 1 A 40 40 THR CA C 36 59.859 64.913 -5.054 1
1 421 . 10 1 1 A 40 40 THR N N 36 114.335 119.691 -5.356 1
1 422 . 10 1 1 A 41 41 SER C C 37 174.129 175.546 -1.417 1
1 423 . 10 1 1 A 41 41 SER CA C 37 60.964 61.710 -0.746 1
1 424 . 10 1 1 A 41 41 SER CB C 37 63.605 62.618 0.987 1
1 425 . 10 1 1 A 42 42 LEU H H 38 8.643 7.529 1.114 1
1 426 . 10 1 1 A 42 42 LEU HA H 38 4.679 4.376 0.303 1
1 436 . 10 1 1 A 42 42 LEU C C 38 176.347 177.969 -1.622 1
1 437 . 10 1 1 A 42 42 LEU CA C 38 54.842 55.071 -0.229 1
1 438 . 10 1 1 A 42 42 LEU CB C 38 41.117 43.541 -2.424 1
1 439 . 10 1 1 A 42 42 LEU N N 38 121.245 119.748 1.497 1
1 440 . 10 1 1 A 43 43 ARG H H 39 7.583 8.277 -0.694 1
1 441 . 10 1 1 A 43 43 ARG HA H 39 4.173 4.157 0.016 1
1 448 . 10 1 1 A 43 43 ARG C C 39 175.925 178.330 -2.405 1
1 449 . 10 1 1 A 43 43 ARG CA C 39 60.907 59.572 1.335 1
1 450 . 10 1 1 A 43 43 ARG N N 39 123.341 120.952 2.389 1
1 451 . 10 1 1 A 44 44 GLN H H 40 8.203 8.095 0.108 1
1 452 . 10 1 1 A 44 44 GLN HA H 40 3.974 3.984 -0.010 1
1 459 . 10 1 1 A 44 44 GLN C C 40 175.608 177.925 -2.317 1
1 460 . 10 1 1 A 44 44 GLN CA C 40 58.622 59.096 -0.474 1
1 461 . 10 1 1 A 44 44 GLN CB C 40 28.591 28.258 0.333 1
1 464 . 10 1 1 A 44 44 GLN N N 40 114.940 118.647 -3.707 1
1 466 . 10 1 1 A 45 45 GLU H H 41 7.616 8.307 -0.691 1
1 467 . 10 1 1 A 45 45 GLU HA H 41 3.947 4.250 -0.303 1
1 472 . 10 1 1 A 45 45 GLU CA C 41 59.009 59.487 -0.478 1
1 473 . 10 1 1 A 45 45 GLU CB C 41 30.110 29.249 0.861 1
1 474 . 10 1 1 A 45 45 GLU N N 41 120.916 117.686 3.230 1
1 475 . 10 1 1 A 46 46 MET H H 42 7.474 7.994 -0.520 1
1 476 . 10 1 1 A 46 46 MET HA H 42 4.778 4.176 0.602 1
1 483 . 10 1 1 A 46 46 MET C C 42 176.347 177.950 -1.603 1
1 484 . 10 1 1 A 46 46 MET CA C 42 59.567 58.628 0.939 1
1 485 . 10 1 1 A 46 46 MET CB C 42 30.294 32.556 -2.262 1
1 487 . 10 1 1 A 46 46 MET N N 42 118.736 120.125 -1.389 1
1 488 . 10 1 1 A 47 47 VAL H H 43 8.006 8.551 -0.545 1
1 489 . 10 1 1 A 47 47 VAL HA H 43 3.624 3.170 0.454 1
1 497 . 10 1 1 A 47 47 VAL C C 43 176.911 177.632 -0.721 1
1 498 . 10 1 1 A 47 47 VAL CA C 43 65.362 66.872 -1.510 1
1 499 . 10 1 1 A 47 47 VAL CB C 43 31.859 31.231 0.628 1
1 501 . 10 1 1 A 47 47 VAL N N 43 116.804 119.048 -2.244 1
1 502 . 10 1 1 A 48 48 GLN H H 44 7.935 8.296 -0.361 1
1 503 . 10 1 1 A 48 48 GLN HA H 44 3.972 3.877 0.095 1
1 510 . 10 1 1 A 48 48 GLN C C 44 178.636 178.457 0.179 1
1 511 . 10 1 1 A 48 48 GLN CA C 44 58.472 59.007 -0.535 1
1 512 . 10 1 1 A 48 48 GLN CB C 44 30.542 28.207 2.335 1
1 513 . 10 1 1 A 48 48 GLN N N 44 117.704 118.127 -0.423 1
1 515 . 10 1 1 A 49 49 ARG H H 45 8.100 7.992 0.108 1
1 516 . 10 1 1 A 49 49 ARG HA H 45 3.906 4.166 -0.260 1
1 521 . 10 1 1 A 49 49 ARG CA C 45 59.397 58.042 1.355 1
1 522 . 10 1 1 A 49 49 ARG CB C 45 29.993 30.256 -0.263 1
1 523 . 10 1 1 A 49 49 ARG N N 45 120.984 118.076 2.908 1
1 524 . 10 1 1 A 50 50 ALA H H 46 8.279 7.531 0.748 1
1 525 . 10 1 1 A 50 50 ALA HA H 46 3.782 4.076 -0.294 1
1 529 . 10 1 1 A 50 50 ALA C C 46 178.073 178.721 -0.648 1
1 530 . 10 1 1 A 50 50 ALA CA C 46 51.408 54.335 -2.927 1
1 531 . 10 1 1 A 50 50 ALA CB C 46 18.883 18.372 0.511 1
1 532 . 10 1 1 A 50 50 ALA N N 46 118.254 121.841 -3.587 1
1 533 . 10 1 1 A 51 51 ASN H H 47 7.706 7.980 -0.274 1
1 534 . 10 1 1 A 51 51 ASN HA H 47 4.420 5.108 -0.688 1
1 539 . 10 1 1 A 51 51 ASN C C 47 174.974 175.790 -0.816 1
1 540 . 10 1 1 A 51 51 ASN CA C 47 54.303 53.524 0.779 1
1 541 . 10 1 1 A 51 51 ASN CB C 47 37.804 40.690 -2.886 1
1 543 . 10 1 1 A 51 51 ASN N N 47 115.277 112.136 3.141 1
1 545 . 10 1 1 A 52 52 GLY H H 48 8.702 7.743 0.959 1
1 546 . 10 1 1 A 52 52 GLY HA2 H 48 4.267 4.023 0.244 1
1 547 . 10 1 1 A 52 52 GLY HA3 H 48 3.379 4.029 -0.650 1
1 548 . 10 1 1 A 52 52 GLY CA C 48 45.176 45.402 -0.226 1
1 549 . 10 1 1 A 52 52 GLY N N 48 104.035 107.288 -3.253 1
1 550 . 10 1 1 A 53 53 ARG H H 49 7.116 8.022 -0.906 1
1 551 . 10 1 1 A 53 53 ARG HA H 49 4.144 4.724 -0.580 1
1 558 . 10 1 1 A 53 53 ARG C C 49 176.101 173.778 2.323 1
1 559 . 10 1 1 A 53 53 ARG CA C 49 57.285 54.996 2.289 1
1 560 . 10 1 1 A 53 53 ARG N N 49 121.384 120.434 0.950 1
1 561 . 10 1 1 A 54 54 ASN H H 50 7.958 8.601 -0.643 1
1 562 . 10 1 1 A 54 54 ASN HA H 50 4.589 4.893 -0.304 1
1 567 . 10 1 1 A 54 54 ASN CA C 50 51.568 52.501 -0.933 1
1 568 . 10 1 1 A 54 54 ASN CB C 50 38.018 39.502 -1.484 1
1 570 . 10 1 1 A 54 54 ASN N N 50 116.546 121.309 -4.763 1
1 572 . 10 1 1 A 55 55 THR H H 51 6.818 8.505 -1.687 1
1 573 . 10 1 1 A 55 55 THR HA H 51 4.283 4.523 -0.240 1
1 578 . 10 1 1 A 55 55 THR C C 51 172.509 172.624 -0.115 1
1 579 . 10 1 1 A 55 55 THR CA C 51 59.829 59.806 0.023 1
1 580 . 10 1 1 A 55 55 THR CB C 51 70.400 69.495 0.905 1
1 582 . 10 1 1 A 55 55 THR N N 51 108.070 114.680 -6.610 1
1 583 . 10 1 1 A 56 56 PHE H H 52 8.444 7.991 0.453 1
1 584 . 10 1 1 A 56 56 PHE HA H 52 4.730 4.601 0.129 1
1 592 . 10 1 1 A 56 56 PHE CA C 52 55.529 56.067 -0.538 1
1 593 . 10 1 1 A 56 56 PHE N N 52 116.926 122.110 -5.184 1
1 594 . 10 1 1 A 57 57 PRO CA C 53 62.827 63.190 -0.363 1
1 595 . 10 1 1 A 57 57 PRO CB C 53 35.258 33.278 1.980 1
1 596 . 10 1 1 A 58 58 GLN H H 54 8.070 8.674 -0.604 1
1 597 . 10 1 1 A 58 58 GLN HA H 54 4.853 4.894 -0.041 1
1 604 . 10 1 1 A 58 58 GLN C C 54 175.291 173.350 1.941 1
1 605 . 10 1 1 A 58 58 GLN CA C 54 55.071 55.296 -0.225 1
1 606 . 10 1 1 A 58 58 GLN CB C 54 32.237 30.827 1.410 1
1 607 . 10 1 1 A 58 58 GLN N N 54 113.697 116.932 -3.235 1
1 609 . 10 1 1 A 59 59 ILE H H 55 8.753 8.851 -0.098 1
1 610 . 10 1 1 A 59 59 ILE HA H 55 5.089 4.746 0.343 1
1 620 . 10 1 1 A 59 59 ILE C C 55 174.164 174.988 -0.824 1
1 621 . 10 1 1 A 59 59 ILE CA C 55 61.194 60.608 0.586 1
1 622 . 10 1 1 A 59 59 ILE CB C 55 40.657 38.930 1.727 1
1 625 . 10 1 1 A 59 59 ILE N N 55 122.202 121.658 0.544 1
1 626 . 10 1 1 A 60 60 PHE H H 56 9.564 9.276 0.288 1
1 627 . 10 1 1 A 60 60 PHE HA H 56 5.390 5.124 0.266 1
1 635 . 10 1 1 A 60 60 PHE C C 56 174.305 175.563 -1.258 1
1 636 . 10 1 1 A 60 60 PHE CA C 56 56.614 57.835 -1.221 1
1 637 . 10 1 1 A 60 60 PHE CB C 56 42.488 41.720 0.768 1
1 638 . 10 1 1 A 60 60 PHE N N 56 127.604 127.291 0.313 1
1 639 . 10 1 1 A 61 61 ILE H H 57 9.231 8.997 0.234 1
1 640 . 10 1 1 A 61 61 ILE HA H 57 4.483 4.895 -0.412 1
1 650 . 10 1 1 A 61 61 ILE C C 57 176.418 176.450 -0.032 1
1 651 . 10 1 1 A 61 61 ILE CA C 57 60.800 59.432 1.368 1
1 652 . 10 1 1 A 61 61 ILE CB C 57 39.431 40.595 -1.164 1
1 656 . 10 1 1 A 61 61 ILE N N 57 121.606 120.124 1.482 1
1 657 . 10 1 1 A 62 62 GLY H H 58 9.118 9.161 -0.043 1
1 658 . 10 1 1 A 62 62 GLY HA2 H 58 4.092 3.931 0.161 1
1 659 . 10 1 1 A 62 62 GLY HA3 H 58 3.951 3.956 -0.005 1
1 660 . 10 1 1 A 62 62 GLY C C 58 174.058 174.444 -0.386 1
1 661 . 10 1 1 A 62 62 GLY CA C 58 47.516 47.496 0.020 1
1 662 . 10 1 1 A 62 62 GLY N N 58 118.483 114.108 4.375 1
1 663 . 10 1 1 A 63 63 ASP H H 59 8.944 8.825 0.119 1
1 664 . 10 1 1 A 63 63 ASP HA H 59 4.762 4.963 -0.201 1
1 667 . 10 1 1 A 63 63 ASP C C 59 175.220 174.227 0.993 1
1 668 . 10 1 1 A 63 63 ASP CA C 59 54.467 53.658 0.809 1
1 669 . 10 1 1 A 63 63 ASP CB C 59 40.913 41.964 -1.051 1
1 670 . 10 1 1 A 63 63 ASP N N 59 125.981 126.086 -0.105 1
1 671 . 10 1 1 A 64 64 TYR H H 60 8.332 7.918 0.414 1
1 672 . 10 1 1 A 64 64 TYR HA H 60 4.600 4.871 -0.271 1
1 679 . 10 1 1 A 64 64 TYR C C 60 174.023 173.439 0.584 1
1 680 . 10 1 1 A 64 64 TYR CA C 60 57.761 57.346 0.415 1
1 681 . 10 1 1 A 64 64 TYR CB C 60 33.473 42.125 -8.652 1
1 682 . 10 1 1 A 64 64 TYR N N 60 122.443 120.794 1.649 1
1 683 . 10 1 1 A 65 65 HIS H H 61 8.625 7.454 1.171 1
1 684 . 10 1 1 A 65 65 HIS HA H 61 4.200 4.408 -0.208 1
1 689 . 10 1 1 A 65 65 HIS C C 61 171.910 174.767 -2.857 1
1 690 . 10 1 1 A 65 65 HIS CA C 61 53.347 53.339 0.008 1
1 691 . 10 1 1 A 65 65 HIS CB C 61 28.830 30.499 -1.669 1
1 692 . 10 1 1 A 65 65 HIS N N 61 129.863 121.690 8.173 1
1 693 . 10 1 1 A 66 66 VAL H H 62 8.059 8.614 -0.555 1
1 694 . 10 1 1 A 66 66 VAL HA H 62 3.316 3.638 -0.322 1
1 702 . 10 1 1 A 66 66 VAL CA C 62 64.194 65.173 -0.979 1
1 703 . 10 1 1 A 66 66 VAL CB C 62 32.770 32.240 0.530 1
1 705 . 10 1 1 A 66 66 VAL N N 62 129.219 123.975 5.244 1
1 706 . 10 1 1 A 67 67 GLY H H 63 6.327 7.857 -1.530 1
1 707 . 10 1 1 A 67 67 GLY HA2 H 63 4.503 4.083 0.420 1
1 708 . 10 1 1 A 67 67 GLY HA3 H 63 2.870 4.136 -1.266 1
1 709 . 10 1 1 A 67 67 GLY C C 63 172.156 174.715 -2.559 1
1 710 . 10 1 1 A 67 67 GLY CA C 63 43.551 45.365 -1.814 1
1 711 . 10 1 1 A 67 67 GLY N N 63 102.548 108.029 -5.481 1
1 712 . 10 1 1 A 68 68 GLY H H 64 9.095 8.164 0.931 1
1 713 . 10 1 1 A 68 68 GLY HA2 H 64 4.863 4.219 0.644 1
1 714 . 10 1 1 A 68 68 GLY HA3 H 64 3.821 4.238 -0.417 1
1 715 . 10 1 1 A 68 68 GLY C C 64 172.509 175.009 -2.500 1
1 716 . 10 1 1 A 68 68 GLY CA C 64 43.870 44.059 -0.189 1
1 717 . 10 1 1 A 68 68 GLY N N 64 110.080 107.759 2.321 1
1 718 . 10 1 1 A 69 69 CYS H H 65 8.398 9.291 -0.893 1
1 719 . 10 1 1 A 69 69 CYS HA H 65 3.846 4.200 -0.354 1
1 722 . 10 1 1 A 69 69 CYS C C 65 173.741 177.242 -3.501 1
1 723 . 10 1 1 A 69 69 CYS CA C 65 62.944 63.102 -0.158 1
1 724 . 10 1 1 A 69 69 CYS CB C 65 45.022 27.362 17.660 1
1 725 . 10 1 1 A 69 69 CYS N N 65 118.292 121.765 -3.473 1
1 726 . 10 1 1 A 70 70 ASP H H 66 9.110 8.569 0.541 1
1 727 . 10 1 1 A 70 70 ASP HA H 66 5.745 4.393 1.352 1
1 730 . 10 1 1 A 70 70 ASP C C 66 178.777 177.769 1.008 1
1 731 . 10 1 1 A 70 70 ASP CA C 66 57.437 56.679 0.758 1
1 732 . 10 1 1 A 70 70 ASP CB C 66 40.016 39.669 0.347 1
1 733 . 10 1 1 A 70 70 ASP N N 66 123.178 120.592 2.586 1
1 734 . 10 1 1 A 71 71 ASP H H 67 7.301 8.361 -1.060 1
1 735 . 10 1 1 A 71 71 ASP HA H 67 4.362 4.368 -0.006 1
1 738 . 10 1 1 A 71 71 ASP C C 67 177.474 178.357 -0.883 1
1 739 . 10 1 1 A 71 71 ASP CA C 67 57.381 57.774 -0.393 1
1 740 . 10 1 1 A 71 71 ASP CB C 67 41.503 42.257 -0.754 1
1 741 . 10 1 1 A 71 71 ASP N N 67 119.848 120.082 -0.234 1
1 742 . 10 1 1 A 72 72 LEU H H 68 7.805 7.755 0.050 1
1 743 . 10 1 1 A 72 72 LEU HA H 68 3.822 4.038 -0.216 1
1 753 . 10 1 1 A 72 72 LEU C C 68 177.509 178.737 -1.228 1
1 754 . 10 1 1 A 72 72 LEU CA C 68 58.446 58.077 0.369 1
1 755 . 10 1 1 A 72 72 LEU CB C 68 42.524 41.178 1.346 1
1 757 . 10 1 1 A 72 72 LEU N N 68 121.720 118.720 3.000 1
1 758 . 10 1 1 A 73 73 TYR H H 69 8.229 8.408 -0.179 1
1 759 . 10 1 1 A 73 73 TYR HA H 69 3.772 4.314 -0.542 1
1 766 . 10 1 1 A 73 73 TYR C C 69 177.721 178.155 -0.434 1
1 767 . 10 1 1 A 73 73 TYR CA C 69 62.867 60.601 2.266 1
1 768 . 10 1 1 A 73 73 TYR CB C 69 38.215 38.126 0.089 1
1 769 . 10 1 1 A 73 73 TYR N N 69 116.501 120.447 -3.946 1
1 770 . 10 1 1 A 74 74 ALA H H 70 8.275 8.607 -0.332 1
1 771 . 10 1 1 A 74 74 ALA HA H 70 4.286 4.098 0.188 1
1 775 . 10 1 1 A 74 74 ALA C C 70 180.045 179.938 0.107 1
1 776 . 10 1 1 A 74 74 ALA CA C 70 55.701 55.226 0.475 1
1 777 . 10 1 1 A 74 74 ALA CB C 70 17.944 18.314 -0.370 1
1 778 . 10 1 1 A 74 74 ALA N N 70 122.883 121.912 0.971 1
1 779 . 10 1 1 A 75 75 LEU H H 71 7.558 8.291 -0.733 1
1 780 . 10 1 1 A 75 75 LEU HA H 71 3.975 3.868 0.107 1
1 790 . 10 1 1 A 75 75 LEU C C 71 179.024 178.898 0.126 1
1 791 . 10 1 1 A 75 75 LEU CA C 71 57.994 58.197 -0.203 1
1 792 . 10 1 1 A 75 75 LEU CB C 71 42.836 41.599 1.237 1
1 793 . 10 1 1 A 75 75 LEU N N 71 117.133 117.883 -0.750 1
1 794 . 10 1 1 A 76 76 GLU H H 72 7.587 8.347 -0.760 1
1 795 . 10 1 1 A 76 76 GLU HA H 72 4.473 3.845 0.628 1
1 800 . 10 1 1 A 76 76 GLU C C 72 179.270 178.580 0.690 1
1 801 . 10 1 1 A 76 76 GLU CA C 72 58.296 59.864 -1.568 1
1 802 . 10 1 1 A 76 76 GLU CB C 72 28.457 29.156 -0.699 1
1 803 . 10 1 1 A 76 76 GLU N N 72 121.576 119.391 2.185 1
1 804 . 10 1 1 A 77 77 ASN H H 73 8.863 7.997 0.866 1
1 805 . 10 1 1 A 77 77 ASN HA H 73 4.511 4.466 0.045 1
1 810 . 10 1 1 A 77 77 ASN C C 73 176.664 177.024 -0.360 1
1 811 . 10 1 1 A 77 77 ASN CA C 73 55.944 55.334 0.610 1
1 812 . 10 1 1 A 77 77 ASN CB C 73 38.660 38.607 0.053 1
1 814 . 10 1 1 A 77 77 ASN N N 73 120.232 118.197 2.035 1
1 816 . 10 1 1 A 78 78 LYS H H 74 7.617 7.570 0.047 1
1 817 . 10 1 1 A 78 78 LYS HA H 74 4.426 4.300 0.126 1
1 826 . 10 1 1 A 78 78 LYS C C 74 176.312 176.417 -0.105 1
1 827 . 10 1 1 A 78 78 LYS CA C 74 55.863 56.296 -0.433 1
1 828 . 10 1 1 A 78 78 LYS CB C 74 33.482 32.955 0.527 1
1 829 . 10 1 1 A 78 78 LYS N N 74 115.597 116.380 -0.783 1
1 830 . 10 1 1 A 79 79 GLY H H 75 8.023 7.631 0.392 1
1 831 . 10 1 1 A 79 79 GLY HA2 H 75 4.060 3.975 0.085 1
1 832 . 10 1 1 A 79 79 GLY HA3 H 75 4.060 3.977 0.083 1
1 833 . 10 1 1 A 79 79 GLY C C 75 175.009 175.542 -0.533 1
1 834 . 10 1 1 A 79 79 GLY CA C 75 46.234 45.171 1.063 1
1 835 . 10 1 1 A 79 79 GLY N N 75 109.073 105.624 3.449 1
1 836 . 10 1 1 A 80 80 LYS H H 76 8.091 8.398 -0.307 1
1 837 . 10 1 1 A 80 80 LYS HA H 76 4.422 4.316 0.106 1
1 846 . 10 1 1 A 80 80 LYS C C 76 173.037 177.526 -4.489 1
1 847 . 10 1 1 A 80 80 LYS CA C 76 55.679 57.038 -1.359 1
1 848 . 10 1 1 A 80 80 LYS CB C 76 35.038 32.174 2.864 1
1 849 . 10 1 1 A 80 80 LYS N N 76 116.888 121.131 -4.243 1
1 850 . 10 1 1 A 81 81 LEU H H 77 7.411 7.727 -0.316 1
1 851 . 10 1 1 A 81 81 LEU HA H 77 4.003 3.959 0.044 1
1 861 . 10 1 1 A 81 81 LEU C C 77 177.333 177.726 -0.393 1
1 862 . 10 1 1 A 81 81 LEU CA C 77 57.512 58.123 -0.611 1
1 863 . 10 1 1 A 81 81 LEU CB C 77 40.676 41.256 -0.580 1
1 864 . 10 1 1 A 81 81 LEU N N 77 122.079 121.239 0.840 1
1 865 . 10 1 1 A 82 82 ASP H H 78 8.613 8.464 0.149 1
1 866 . 10 1 1 A 82 82 ASP HA H 78 4.232 4.278 -0.046 1
1 869 . 10 1 1 A 82 82 ASP C C 78 178.354 178.868 -0.514 1
1 870 . 10 1 1 A 82 82 ASP CA C 78 58.438 57.880 0.558 1
1 871 . 10 1 1 A 82 82 ASP CB C 78 39.890 40.494 -0.604 1
1 872 . 10 1 1 A 82 82 ASP N N 78 118.813 118.688 0.125 1
1 873 . 10 1 1 A 83 83 SER H H 79 7.886 7.573 0.313 1
1 874 . 10 1 1 A 83 83 SER HA H 79 4.164 4.217 -0.053 1
1 877 . 10 1 1 A 83 83 SER C C 79 176.171 177.599 -1.428 1
1 878 . 10 1 1 A 83 83 SER CA C 79 61.285 61.340 -0.055 1
1 879 . 10 1 1 A 83 83 SER CB C 79 62.632 62.951 -0.319 1
1 880 . 10 1 1 A 83 83 SER N N 79 113.338 114.204 -0.866 1
1 881 . 10 1 1 A 84 84 LEU H H 80 7.354 8.190 -0.836 1
1 882 . 10 1 1 A 84 84 LEU HA H 80 4.152 3.966 0.186 1
1 892 . 10 1 1 A 84 84 LEU C C 80 173.671 179.037 -5.366 1
1 893 . 10 1 1 A 84 84 LEU CA C 80 56.841 58.255 -1.414 1
1 894 . 10 1 1 A 84 84 LEU CB C 80 42.682 42.284 0.398 1
1 897 . 10 1 1 A 84 84 LEU N N 80 121.453 121.924 -0.471 1
1 898 . 10 1 1 A 85 85 LEU H H 81 7.655 8.635 -0.980 1
1 899 . 10 1 1 A 85 85 LEU HA H 81 4.113 3.875 0.238 1
1 909 . 10 1 1 A 85 85 LEU C C 81 177.333 179.117 -1.784 1
1 910 . 10 1 1 A 85 85 LEU CA C 81 55.748 58.242 -2.494 1
1 911 . 10 1 1 A 85 85 LEU CB C 81 41.707 41.721 -0.014 1
1 914 . 10 1 1 A 85 85 LEU N N 81 115.497 118.540 -3.043 1
1 915 . 10 1 1 A 86 86 GLN H H 82 7.414 8.361 -0.947 1
1 916 . 10 1 1 A 86 86 GLN HA H 82 4.177 4.112 0.065 1
1 923 . 10 1 1 A 86 86 GLN C C 82 175.537 177.443 -1.906 1
1 924 . 10 1 1 A 86 86 GLN CA C 82 56.986 58.442 -1.456 1
1 925 . 10 1 1 A 86 86 GLN CB C 82 29.187 28.971 0.216 1
1 928 . 10 1 1 A 86 86 GLN N N 82 117.020 118.154 -1.134 1
1 930 . 10 1 1 A 87 87 ASP H H 83 8.092 7.892 0.200 1
1 931 . 10 1 1 A 87 87 ASP HA H 83 4.672 4.590 0.082 1
1 934 . 10 1 1 A 87 87 ASP C C 83 177.263 178.621 -1.358 1
1 935 . 10 1 1 A 87 87 ASP CA C 83 54.394 56.497 -2.103 1
1 936 . 10 1 1 A 87 87 ASP CB C 83 40.722 41.091 -0.369 1
1 937 . 10 1 1 A 87 87 ASP N N 83 119.072 118.670 0.402 1
1 938 . 10 1 1 A 88 88 VAL H H 84 7.692 8.563 -0.871 1
1 939 . 10 1 1 A 88 88 VAL HA H 84 4.175 3.908 0.267 1
1 947 . 10 1 1 A 88 88 VAL C C 84 174.164 178.174 -4.010 1
1 948 . 10 1 1 A 88 88 VAL CA C 84 62.165 65.451 -3.286 1
1 949 . 10 1 1 A 88 88 VAL CB C 84 32.284 31.495 0.789 1
1 952 . 10 1 1 A 88 88 VAL N N 84 118.778 115.861 2.917 1
1 1 . 11 1 1 A 2 2 PRO C C -2 177.005 176.714 0.291 1
1 2 . 11 1 1 A 2 2 PRO CA C -2 63.481 62.690 0.791 1
1 3 . 11 1 1 A 2 2 PRO CB C -2 32.244 32.615 -0.371 1
1 4 . 11 1 1 A 3 3 GLY H H -1 8.665 8.354 0.311 1
1 5 . 11 1 1 A 3 3 GLY HA2 H -1 3.985 4.013 -0.028 1
1 6 . 11 1 1 A 3 3 GLY HA3 H -1 3.985 4.017 -0.032 1
1 7 . 11 1 1 A 3 3 GLY C C -1 173.706 173.597 0.109 1
1 8 . 11 1 1 A 3 3 GLY CA C -1 45.291 45.182 0.109 1
1 9 . 11 1 1 A 3 3 GLY N N -1 109.788 106.548 3.240 1
1 10 . 11 1 1 A 4 4 SER H H 0 8.190 7.739 0.451 1
1 11 . 11 1 1 A 4 4 SER HA H 0 4.477 4.690 -0.213 1
1 14 . 11 1 1 A 4 4 SER C C 0 175.738 173.468 2.270 1
1 15 . 11 1 1 A 4 4 SER CA C 0 58.322 56.897 1.425 1
1 16 . 11 1 1 A 4 4 SER CB C 0 63.927 63.877 0.050 1
1 17 . 11 1 1 A 4 4 SER N N 0 115.613 116.490 -0.877 1
1 18 . 11 1 1 A 5 5 MET H H 1 8.458 9.018 -0.560 1
1 19 . 11 1 1 A 5 5 MET HA H 1 4.320 4.788 -0.468 1
1 27 . 11 1 1 A 5 5 MET C C 1 173.977 175.216 -1.239 1
1 28 . 11 1 1 A 5 5 MET CA C 1 56.011 54.026 1.985 1
1 29 . 11 1 1 A 5 5 MET CB C 1 33.797 33.692 0.105 1
1 30 . 11 1 1 A 5 5 MET N N 1 122.334 127.553 -5.219 1
1 31 . 11 1 1 A 6 6 LYS H H 2 8.445 8.236 0.209 1
1 32 . 11 1 1 A 6 6 LYS HA H 2 4.566 4.419 0.147 1
1 39 . 11 1 1 A 6 6 LYS C C 2 174.575 176.102 -1.527 1
1 40 . 11 1 1 A 6 6 LYS CA C 2 55.887 56.576 -0.689 1
1 41 . 11 1 1 A 6 6 LYS CB C 2 33.848 33.660 0.188 1
1 42 . 11 1 1 A 6 6 LYS N N 2 122.229 121.319 0.910 1
1 43 . 11 1 1 A 7 7 GLU H H 3 8.324 8.983 -0.659 1
1 44 . 11 1 1 A 7 7 GLU HA H 3 4.440 5.068 -0.628 1
1 49 . 11 1 1 A 7 7 GLU C C 3 175.491 173.815 1.676 1
1 50 . 11 1 1 A 7 7 GLU CA C 3 55.680 54.722 0.958 1
1 51 . 11 1 1 A 7 7 GLU CB C 3 31.513 33.298 -1.785 1
1 52 . 11 1 1 A 7 7 GLU N N 3 121.539 117.530 4.009 1
1 53 . 11 1 1 A 8 8 ILE H H 4 9.014 8.946 0.068 1
1 54 . 11 1 1 A 8 8 ILE HA H 4 5.025 5.141 -0.116 1
1 64 . 11 1 1 A 8 8 ILE C C 4 174.199 173.994 0.205 1
1 65 . 11 1 1 A 8 8 ILE CA C 4 60.927 59.571 1.356 1
1 66 . 11 1 1 A 8 8 ILE CB C 4 38.759 40.900 -2.141 1
1 69 . 11 1 1 A 8 8 ILE N N 4 127.255 123.709 3.546 1
1 70 . 11 1 1 A 9 9 ILE H H 5 9.104 9.169 -0.065 1
1 71 . 11 1 1 A 9 9 ILE HA H 5 4.900 5.114 -0.214 1
1 81 . 11 1 1 A 9 9 ILE C C 5 173.906 175.271 -1.365 1
1 82 . 11 1 1 A 9 9 ILE CA C 5 59.727 59.475 0.252 1
1 83 . 11 1 1 A 9 9 ILE CB C 5 41.627 42.054 -0.427 1
1 87 . 11 1 1 A 9 9 ILE N N 5 128.326 128.452 -0.126 1
1 88 . 11 1 1 A 10 10 LEU H H 6 8.891 8.918 -0.027 1
1 89 . 11 1 1 A 10 10 LEU HA H 6 5.157 5.280 -0.123 1
1 96 . 11 1 1 A 10 10 LEU CA C 6 54.076 53.476 0.600 1
1 97 . 11 1 1 A 10 10 LEU CB C 6 44.892 44.409 0.483 1
1 100 . 11 1 1 A 10 10 LEU N N 6 125.779 124.451 1.328 1
1 101 . 11 1 1 A 11 11 TYR H H 7 9.099 9.208 -0.109 1
1 102 . 11 1 1 A 11 11 TYR HA H 7 4.336 5.264 -0.928 1
1 109 . 11 1 1 A 11 11 TYR C C 7 177.041 175.408 1.633 1
1 110 . 11 1 1 A 11 11 TYR CA C 7 57.379 57.033 0.346 1
1 111 . 11 1 1 A 11 11 TYR CB C 7 40.345 39.835 0.510 1
1 112 . 11 1 1 A 12 12 THR H H 8 9.286 8.684 0.602 1
1 113 . 11 1 1 A 12 12 THR HA H 8 5.105 5.059 0.046 1
1 118 . 11 1 1 A 12 12 THR C C 8 172.005 173.155 -1.150 1
1 119 . 11 1 1 A 12 12 THR CA C 8 60.604 61.037 -0.433 1
1 120 . 11 1 1 A 12 12 THR CB C 8 73.108 70.757 2.351 1
1 122 . 11 1 1 A 12 12 THR N N 8 111.938 114.565 -2.627 1
1 123 . 11 1 1 A 13 13 ARG H H 9 7.513 8.353 -0.840 1
1 124 . 11 1 1 A 13 13 ARG HA H 9 4.826 4.813 0.013 1
1 131 . 11 1 1 A 13 13 ARG CA C 9 52.836 54.295 -1.459 1
1 132 . 11 1 1 A 13 13 ARG CB C 9 31.436 30.913 0.523 1
1 133 . 11 1 1 A 13 13 ARG N N 9 114.036 121.387 -7.351 1
1 134 . 11 1 1 A 14 14 PRO HA H 10 4.294 4.406 -0.112 1
1 141 . 11 1 1 A 14 14 PRO C C 10 176.477 176.711 -0.234 1
1 142 . 11 1 1 A 14 14 PRO CA C 10 63.464 63.239 0.225 1
1 143 . 11 1 1 A 14 14 PRO CB C 10 32.615 32.392 0.223 1
1 144 . 11 1 1 A 15 15 ASN H H 11 8.987 8.894 0.093 1
1 145 . 11 1 1 A 15 15 ASN HA H 11 4.240 4.255 -0.015 1
1 150 . 11 1 1 A 15 15 ASN C C 11 176.266 174.131 2.135 1
1 151 . 11 1 1 A 15 15 ASN CA C 11 54.464 54.655 -0.191 1
1 152 . 11 1 1 A 15 15 ASN CB C 11 37.500 37.098 0.402 1
1 154 . 11 1 1 A 15 15 ASN N N 11 115.463 114.057 1.406 1
1 156 . 11 1 1 A 16 16 CYS H H 12 7.324 7.934 -0.610 1
1 157 . 11 1 1 A 16 16 CYS HA H 12 4.931 4.643 0.288 1
1 160 . 11 1 1 A 16 16 CYS CA C 12 56.277 57.413 -1.136 1
1 161 . 11 1 1 A 16 16 CYS N N 12 123.174 116.656 6.518 1
1 162 . 11 1 1 A 17 17 PRO C C 13 178.555 178.404 0.151 1
1 163 . 11 1 1 A 17 17 PRO CA C 13 64.409 65.314 -0.905 1
1 164 . 11 1 1 A 17 17 PRO CB C 13 33.538 31.875 1.663 1
1 165 . 11 1 1 A 18 18 TYR H H 14 9.325 7.915 1.410 1
1 166 . 11 1 1 A 18 18 TYR HA H 14 4.404 4.315 0.089 1
1 173 . 11 1 1 A 18 18 TYR CA C 14 60.921 61.140 -0.219 1
1 174 . 11 1 1 A 18 18 TYR N N 14 127.149 117.332 9.817 1
1 175 . 11 1 1 A 19 19 CYS H H 15 9.687 8.213 1.474 1
1 176 . 11 1 1 A 19 19 CYS HA H 15 4.725 4.087 0.638 1
1 177 . 11 1 1 A 19 19 CYS C C 15 174.998 177.300 -2.302 1
1 178 . 11 1 1 A 19 19 CYS CA C 15 64.573 62.582 1.991 1
1 179 . 11 1 1 A 19 19 CYS CB C 15 29.227 27.038 2.189 1
1 180 . 11 1 1 A 19 19 CYS N N 15 127.652 118.190 9.462 1
1 181 . 11 1 1 A 20 20 LYS H H 16 7.706 8.409 -0.703 1
1 182 . 11 1 1 A 20 20 LYS HA H 16 3.946 3.981 -0.035 1
1 191 . 11 1 1 A 20 20 LYS C C 16 177.252 179.187 -1.935 1
1 192 . 11 1 1 A 20 20 LYS CA C 16 59.857 60.039 -0.182 1
1 193 . 11 1 1 A 20 20 LYS CB C 16 32.542 32.429 0.113 1
1 194 . 11 1 1 A 20 20 LYS N N 16 119.200 120.275 -1.075 1
1 195 . 11 1 1 A 21 21 ARG H H 17 7.839 8.128 -0.289 1
1 196 . 11 1 1 A 21 21 ARG HA H 17 4.176 4.138 0.038 1
1 203 . 11 1 1 A 21 21 ARG C C 17 179.858 179.010 0.848 1
1 204 . 11 1 1 A 21 21 ARG CA C 17 59.647 59.194 0.453 1
1 205 . 11 1 1 A 21 21 ARG CB C 17 30.340 30.130 0.210 1
1 206 . 11 1 1 A 21 21 ARG N N 17 117.964 119.530 -1.566 1
1 207 . 11 1 1 A 22 22 ALA H H 18 8.084 8.101 -0.017 1
1 208 . 11 1 1 A 22 22 ALA HA H 18 4.168 4.118 0.050 1
1 212 . 11 1 1 A 22 22 ALA C C 18 177.322 179.537 -2.215 1
1 213 . 11 1 1 A 22 22 ALA CA C 18 55.859 55.386 0.473 1
1 214 . 11 1 1 A 22 22 ALA CB C 18 19.047 18.380 0.667 1
1 215 . 11 1 1 A 22 22 ALA N N 18 124.839 121.727 3.112 1
1 216 . 11 1 1 A 23 23 ARG H H 19 7.811 8.316 -0.505 1
1 217 . 11 1 1 A 23 23 ARG HA H 19 3.320 3.351 -0.031 1
1 224 . 11 1 1 A 23 23 ARG C C 19 177.217 177.956 -0.739 1
1 225 . 11 1 1 A 23 23 ARG CA C 19 60.780 58.755 2.025 1
1 226 . 11 1 1 A 23 23 ARG CB C 19 30.828 30.067 0.761 1
1 227 . 11 1 1 A 23 23 ARG N N 19 116.980 117.064 -0.084 1
1 228 . 11 1 1 A 24 24 ASP H H 20 8.710 7.863 0.847 1
1 229 . 11 1 1 A 24 24 ASP HA H 20 4.299 4.453 -0.154 1
1 232 . 11 1 1 A 24 24 ASP C C 20 178.625 178.309 0.316 1
1 233 . 11 1 1 A 24 24 ASP CA C 20 57.477 56.986 0.491 1
1 234 . 11 1 1 A 24 24 ASP CB C 20 40.551 41.007 -0.456 1
1 235 . 11 1 1 A 24 24 ASP N N 20 116.717 119.982 -3.265 1
1 236 . 11 1 1 A 25 25 LEU H H 21 7.114 7.928 -0.814 1
1 237 . 11 1 1 A 25 25 LEU HA H 21 4.131 4.028 0.103 1
1 246 . 11 1 1 A 25 25 LEU C C 21 177.580 178.364 -0.784 1
1 247 . 11 1 1 A 25 25 LEU CA C 21 57.857 58.512 -0.655 1
1 248 . 11 1 1 A 25 25 LEU CB C 21 41.654 41.809 -0.155 1
1 251 . 11 1 1 A 25 25 LEU N N 21 119.808 120.618 -0.810 1
1 252 . 11 1 1 A 26 26 LEU H H 22 7.294 8.140 -0.846 1
1 253 . 11 1 1 A 26 26 LEU HA H 22 3.767 3.987 -0.220 1
1 262 . 11 1 1 A 26 26 LEU C C 22 178.696 178.558 0.138 1
1 263 . 11 1 1 A 26 26 LEU CA C 22 58.107 58.277 -0.170 1
1 264 . 11 1 1 A 26 26 LEU CB C 22 40.750 41.497 -0.747 1
1 267 . 11 1 1 A 26 26 LEU N N 22 117.901 118.796 -0.895 1
1 268 . 11 1 1 A 27 27 ASP H H 23 9.446 8.343 1.103 1
1 269 . 11 1 1 A 27 27 ASP HA H 23 4.608 4.539 0.069 1
1 272 . 11 1 1 A 27 27 ASP C C 23 180.104 178.305 1.799 1
1 273 . 11 1 1 A 27 27 ASP CA C 23 57.406 57.182 0.224 1
1 274 . 11 1 1 A 27 27 ASP CB C 23 39.839 41.530 -1.691 1
1 275 . 11 1 1 A 27 27 ASP N N 23 119.946 119.390 0.556 1
1 276 . 11 1 1 A 28 28 LYS H H 24 7.915 8.241 -0.326 1
1 277 . 11 1 1 A 28 28 LYS HA H 24 4.079 4.228 -0.149 1
1 286 . 11 1 1 A 28 28 LYS C C 24 178.414 179.558 -1.144 1
1 287 . 11 1 1 A 28 28 LYS CA C 24 59.295 58.510 0.785 1
1 288 . 11 1 1 A 28 28 LYS CB C 24 32.342 32.588 -0.246 1
1 289 . 11 1 1 A 28 28 LYS N N 24 122.484 119.374 3.110 1
1 290 . 11 1 1 A 29 29 LYS H H 25 7.763 7.710 0.053 1
1 291 . 11 1 1 A 29 29 LYS HA H 25 4.195 4.197 -0.002 1
1 300 . 11 1 1 A 29 29 LYS C C 25 176.583 177.108 -0.525 1
1 301 . 11 1 1 A 29 29 LYS CA C 25 56.122 56.735 -0.613 1
1 302 . 11 1 1 A 29 29 LYS CB C 25 32.771 32.812 -0.041 1
1 303 . 11 1 1 A 29 29 LYS N N 25 116.683 116.706 -0.023 1
1 304 . 11 1 1 A 30 30 GLY H H 26 7.961 8.218 -0.257 1
1 305 . 11 1 1 A 30 30 GLY HA2 H 26 4.005 3.998 0.007 1
1 306 . 11 1 1 A 30 30 GLY HA3 H 26 3.894 4.003 -0.109 1
1 307 . 11 1 1 A 30 30 GLY C C 26 174.223 173.903 0.320 1
1 308 . 11 1 1 A 30 30 GLY CA C 26 46.265 46.512 -0.247 1
1 309 . 11 1 1 A 30 30 GLY N N 26 108.209 107.218 0.991 1
1 310 . 11 1 1 A 31 31 VAL H H 27 7.440 7.399 0.041 1
1 311 . 11 1 1 A 31 31 VAL HA H 27 4.355 4.946 -0.591 1
1 319 . 11 1 1 A 31 31 VAL C C 27 174.294 174.058 0.236 1
1 320 . 11 1 1 A 31 31 VAL CA C 27 60.115 59.207 0.908 1
1 321 . 11 1 1 A 31 31 VAL CB C 27 33.737 36.201 -2.464 1
1 323 . 11 1 1 A 31 31 VAL N N 27 114.927 114.069 0.858 1
1 324 . 11 1 1 A 32 32 LYS H H 28 8.408 8.915 -0.507 1
1 325 . 11 1 1 A 32 32 LYS HA H 28 4.268 4.798 -0.530 1
1 334 . 11 1 1 A 32 32 LYS C C 28 175.385 175.269 0.116 1
1 335 . 11 1 1 A 32 32 LYS CA C 28 55.441 54.675 0.766 1
1 336 . 11 1 1 A 32 32 LYS CB C 28 33.269 33.543 -0.274 1
1 337 . 11 1 1 A 32 32 LYS N N 28 124.540 121.742 2.798 1
1 338 . 11 1 1 A 33 33 TYR H H 29 7.451 8.799 -1.348 1
1 339 . 11 1 1 A 33 33 TYR HA H 29 5.149 5.059 0.090 1
1 346 . 11 1 1 A 33 33 TYR C C 29 173.730 175.221 -1.491 1
1 347 . 11 1 1 A 33 33 TYR CA C 29 57.198 56.499 0.699 1
1 348 . 11 1 1 A 33 33 TYR CB C 29 41.499 39.877 1.622 1
1 353 . 11 1 1 A 33 33 TYR N N 29 117.090 125.246 -8.156 1
1 354 . 11 1 1 A 34 34 THR H H 30 9.106 8.815 0.291 1
1 355 . 11 1 1 A 34 34 THR HA H 30 4.368 4.807 -0.439 1
1 360 . 11 1 1 A 34 34 THR C C 30 171.336 173.545 -2.209 1
1 361 . 11 1 1 A 34 34 THR CA C 30 62.096 61.998 0.098 1
1 362 . 11 1 1 A 34 34 THR CB C 30 70.603 69.526 1.077 1
1 364 . 11 1 1 A 34 34 THR N N 30 119.343 118.564 0.779 1
1 365 . 11 1 1 A 35 35 ASP H H 31 8.772 9.007 -0.235 1
1 366 . 11 1 1 A 35 35 ASP HA H 31 5.283 5.270 0.013 1
1 369 . 11 1 1 A 35 35 ASP C C 31 175.245 175.045 0.200 1
1 370 . 11 1 1 A 35 35 ASP CA C 31 52.549 52.810 -0.261 1
1 371 . 11 1 1 A 35 35 ASP CB C 31 42.286 42.038 0.248 1
1 372 . 11 1 1 A 35 35 ASP N N 31 129.184 126.274 2.910 1
1 373 . 11 1 1 A 36 36 ILE H H 32 9.283 9.220 0.063 1
1 374 . 11 1 1 A 36 36 ILE HA H 32 4.081 4.552 -0.471 1
1 384 . 11 1 1 A 36 36 ILE C C 32 175.854 175.270 0.584 1
1 385 . 11 1 1 A 36 36 ILE CA C 32 60.226 59.936 0.290 1
1 386 . 11 1 1 A 36 36 ILE CB C 32 39.998 38.693 1.305 1
1 388 . 11 1 1 A 36 36 ILE N N 32 129.240 125.493 3.747 1
1 389 . 11 1 1 A 37 37 ASP H H 33 8.298 8.837 -0.539 1
1 390 . 11 1 1 A 37 37 ASP HA H 33 4.648 4.624 0.024 1
1 393 . 11 1 1 A 37 37 ASP CA C 33 54.101 54.663 -0.562 1
1 394 . 11 1 1 A 37 37 ASP CB C 33 40.536 41.220 -0.684 1
1 395 . 11 1 1 A 37 37 ASP N N 33 125.570 127.807 -2.237 1
1 396 . 11 1 1 A 38 38 ALA H H 34 9.840 8.739 1.101 1
1 397 . 11 1 1 A 38 38 ALA HA H 34 4.620 4.091 0.529 1
1 401 . 11 1 1 A 38 38 ALA C C 34 175.185 178.618 -3.433 1
1 402 . 11 1 1 A 38 38 ALA CA C 34 51.239 54.930 -3.691 1
1 403 . 11 1 1 A 38 38 ALA CB C 34 20.627 18.554 2.073 1
1 404 . 11 1 1 A 38 38 ALA N N 34 134.980 124.676 10.304 1
1 405 . 11 1 1 A 39 39 SER H H 35 8.679 7.622 1.057 1
1 406 . 11 1 1 A 39 39 SER HA H 35 4.189 4.274 -0.085 1
1 409 . 11 1 1 A 39 39 SER C C 35 175.713 176.248 -0.535 1
1 410 . 11 1 1 A 39 39 SER CA C 35 60.956 60.715 0.241 1
1 411 . 11 1 1 A 39 39 SER CB C 35 64.425 63.792 0.633 1
1 412 . 11 1 1 A 39 39 SER N N 35 111.865 115.432 -3.567 1
1 413 . 11 1 1 A 40 40 THR H H 36 8.438 8.718 -0.280 1
1 414 . 11 1 1 A 40 40 THR HA H 36 4.672 4.053 0.619 1
1 419 . 11 1 1 A 40 40 THR CA C 36 59.859 64.893 -5.034 1
1 421 . 11 1 1 A 40 40 THR N N 36 114.335 119.844 -5.509 1
1 422 . 11 1 1 A 41 41 SER C C 37 174.129 175.751 -1.622 1
1 423 . 11 1 1 A 41 41 SER CA C 37 60.964 62.359 -1.395 1
1 424 . 11 1 1 A 41 41 SER CB C 37 63.605 62.809 0.796 1
1 425 . 11 1 1 A 42 42 LEU H H 38 8.643 7.506 1.137 1
1 426 . 11 1 1 A 42 42 LEU HA H 38 4.679 4.417 0.262 1
1 436 . 11 1 1 A 42 42 LEU C C 38 176.347 177.926 -1.579 1
1 437 . 11 1 1 A 42 42 LEU CA C 38 54.842 55.933 -1.091 1
1 438 . 11 1 1 A 42 42 LEU CB C 38 41.117 43.708 -2.591 1
1 439 . 11 1 1 A 42 42 LEU N N 38 121.245 118.104 3.141 1
1 440 . 11 1 1 A 43 43 ARG H H 39 7.583 8.469 -0.886 1
1 441 . 11 1 1 A 43 43 ARG HA H 39 4.173 3.992 0.181 1
1 448 . 11 1 1 A 43 43 ARG C C 39 175.925 178.316 -2.391 1
1 449 . 11 1 1 A 43 43 ARG CA C 39 60.907 59.855 1.052 1
1 450 . 11 1 1 A 43 43 ARG N N 39 123.341 120.693 2.648 1
1 451 . 11 1 1 A 44 44 GLN H H 40 8.203 8.100 0.103 1
1 452 . 11 1 1 A 44 44 GLN HA H 40 3.974 4.042 -0.068 1
1 459 . 11 1 1 A 44 44 GLN C C 40 175.608 178.382 -2.774 1
1 460 . 11 1 1 A 44 44 GLN CA C 40 58.622 59.140 -0.518 1
1 461 . 11 1 1 A 44 44 GLN CB C 40 28.591 28.137 0.454 1
1 464 . 11 1 1 A 44 44 GLN N N 40 114.940 118.399 -3.459 1
1 466 . 11 1 1 A 45 45 GLU H H 41 7.616 8.044 -0.428 1
1 467 . 11 1 1 A 45 45 GLU HA H 41 3.947 4.055 -0.108 1
1 472 . 11 1 1 A 45 45 GLU CA C 41 59.009 59.186 -0.177 1
1 473 . 11 1 1 A 45 45 GLU CB C 41 30.110 29.710 0.400 1
1 474 . 11 1 1 A 45 45 GLU N N 41 120.916 119.532 1.384 1
1 475 . 11 1 1 A 46 46 MET H H 42 7.474 8.215 -0.741 1
1 476 . 11 1 1 A 46 46 MET HA H 42 4.778 4.214 0.564 1
1 483 . 11 1 1 A 46 46 MET C C 42 176.347 178.329 -1.982 1
1 484 . 11 1 1 A 46 46 MET CA C 42 59.567 58.177 1.390 1
1 485 . 11 1 1 A 46 46 MET CB C 42 30.294 32.992 -2.698 1
1 487 . 11 1 1 A 46 46 MET N N 42 118.736 119.399 -0.663 1
1 488 . 11 1 1 A 47 47 VAL H H 43 8.006 8.696 -0.690 1
1 489 . 11 1 1 A 47 47 VAL HA H 43 3.624 3.551 0.073 1
1 497 . 11 1 1 A 47 47 VAL C C 43 176.911 177.108 -0.197 1
1 498 . 11 1 1 A 47 47 VAL CA C 43 65.362 65.065 0.297 1
1 499 . 11 1 1 A 47 47 VAL CB C 43 31.859 30.489 1.370 1
1 501 . 11 1 1 A 47 47 VAL N N 43 116.804 118.839 -2.035 1
1 502 . 11 1 1 A 48 48 GLN H H 44 7.935 7.777 0.158 1
1 503 . 11 1 1 A 48 48 GLN HA H 44 3.972 3.915 0.057 1
1 510 . 11 1 1 A 48 48 GLN C C 44 178.636 177.958 0.678 1
1 511 . 11 1 1 A 48 48 GLN CA C 44 58.472 59.065 -0.593 1
1 512 . 11 1 1 A 48 48 GLN CB C 44 30.542 28.226 2.316 1
1 513 . 11 1 1 A 48 48 GLN N N 44 117.704 120.866 -3.162 1
1 515 . 11 1 1 A 49 49 ARG H H 45 8.100 7.990 0.110 1
1 516 . 11 1 1 A 49 49 ARG HA H 45 3.906 4.080 -0.174 1
1 521 . 11 1 1 A 49 49 ARG CA C 45 59.397 58.504 0.893 1
1 522 . 11 1 1 A 49 49 ARG CB C 45 29.993 29.977 0.016 1
1 523 . 11 1 1 A 49 49 ARG N N 45 120.984 119.836 1.148 1
1 524 . 11 1 1 A 50 50 ALA H H 46 8.279 7.521 0.758 1
1 525 . 11 1 1 A 50 50 ALA HA H 46 3.782 4.149 -0.367 1
1 529 . 11 1 1 A 50 50 ALA C C 46 178.073 178.762 -0.689 1
1 530 . 11 1 1 A 50 50 ALA CA C 46 51.408 54.099 -2.691 1
1 531 . 11 1 1 A 50 50 ALA CB C 46 18.883 18.792 0.091 1
1 532 . 11 1 1 A 50 50 ALA N N 46 118.254 121.970 -3.716 1
1 533 . 11 1 1 A 51 51 ASN H H 47 7.706 7.868 -0.162 1
1 534 . 11 1 1 A 51 51 ASN HA H 47 4.420 5.021 -0.601 1
1 539 . 11 1 1 A 51 51 ASN C C 47 174.974 176.750 -1.776 1
1 540 . 11 1 1 A 51 51 ASN CA C 47 54.303 52.924 1.379 1
1 541 . 11 1 1 A 51 51 ASN CB C 47 37.804 40.606 -2.802 1
1 543 . 11 1 1 A 51 51 ASN N N 47 115.277 112.019 3.258 1
1 545 . 11 1 1 A 52 52 GLY H H 48 8.702 7.718 0.984 1
1 546 . 11 1 1 A 52 52 GLY HA2 H 48 4.267 3.923 0.344 1
1 547 . 11 1 1 A 52 52 GLY HA3 H 48 3.379 3.935 -0.556 1
1 548 . 11 1 1 A 52 52 GLY CA C 48 45.176 46.036 -0.860 1
1 549 . 11 1 1 A 52 52 GLY N N 48 104.035 108.320 -4.285 1
1 550 . 11 1 1 A 53 53 ARG H H 49 7.116 7.939 -0.823 1
1 551 . 11 1 1 A 53 53 ARG HA H 49 4.144 4.442 -0.298 1
1 558 . 11 1 1 A 53 53 ARG C C 49 176.101 175.904 0.197 1
1 559 . 11 1 1 A 53 53 ARG CA C 49 57.285 55.980 1.305 1
1 560 . 11 1 1 A 53 53 ARG N N 49 121.384 120.634 0.750 1
1 561 . 11 1 1 A 54 54 ASN H H 50 7.958 7.945 0.013 1
1 562 . 11 1 1 A 54 54 ASN HA H 50 4.589 4.304 0.285 1
1 567 . 11 1 1 A 54 54 ASN CA C 50 51.568 53.832 -2.264 1
1 568 . 11 1 1 A 54 54 ASN CB C 50 38.018 37.030 0.988 1
1 570 . 11 1 1 A 54 54 ASN N N 50 116.546 116.479 0.067 1
1 572 . 11 1 1 A 55 55 THR H H 51 6.818 8.122 -1.304 1
1 573 . 11 1 1 A 55 55 THR HA H 51 4.283 4.901 -0.618 1
1 578 . 11 1 1 A 55 55 THR C C 51 172.509 173.777 -1.268 1
1 579 . 11 1 1 A 55 55 THR CA C 51 59.829 60.357 -0.528 1
1 580 . 11 1 1 A 55 55 THR CB C 51 70.400 72.314 -1.914 1
1 582 . 11 1 1 A 55 55 THR N N 51 108.070 114.314 -6.244 1
1 583 . 11 1 1 A 56 56 PHE H H 52 8.444 8.480 -0.036 1
1 584 . 11 1 1 A 56 56 PHE HA H 52 4.730 4.777 -0.047 1
1 592 . 11 1 1 A 56 56 PHE CA C 52 55.529 56.542 -1.013 1
1 593 . 11 1 1 A 56 56 PHE N N 52 116.926 120.166 -3.240 1
1 594 . 11 1 1 A 57 57 PRO CA C 53 62.827 63.036 -0.209 1
1 595 . 11 1 1 A 57 57 PRO CB C 53 35.258 33.416 1.842 1
1 596 . 11 1 1 A 58 58 GLN H H 54 8.070 8.647 -0.577 1
1 597 . 11 1 1 A 58 58 GLN HA H 54 4.853 4.852 0.001 1
1 604 . 11 1 1 A 58 58 GLN C C 54 175.291 173.314 1.977 1
1 605 . 11 1 1 A 58 58 GLN CA C 54 55.071 54.974 0.097 1
1 606 . 11 1 1 A 58 58 GLN CB C 54 32.237 30.939 1.298 1
1 607 . 11 1 1 A 58 58 GLN N N 54 113.697 116.363 -2.666 1
1 609 . 11 1 1 A 59 59 ILE H H 55 8.753 8.798 -0.045 1
1 610 . 11 1 1 A 59 59 ILE HA H 55 5.089 4.819 0.270 1
1 620 . 11 1 1 A 59 59 ILE C C 55 174.164 175.470 -1.306 1
1 621 . 11 1 1 A 59 59 ILE CA C 55 61.194 60.399 0.795 1
1 622 . 11 1 1 A 59 59 ILE CB C 55 40.657 39.225 1.432 1
1 625 . 11 1 1 A 59 59 ILE N N 55 122.202 121.451 0.751 1
1 626 . 11 1 1 A 60 60 PHE H H 56 9.564 9.446 0.118 1
1 627 . 11 1 1 A 60 60 PHE HA H 56 5.390 5.219 0.171 1
1 635 . 11 1 1 A 60 60 PHE C C 56 174.305 175.313 -1.008 1
1 636 . 11 1 1 A 60 60 PHE CA C 56 56.614 57.285 -0.671 1
1 637 . 11 1 1 A 60 60 PHE CB C 56 42.488 41.375 1.113 1
1 638 . 11 1 1 A 60 60 PHE N N 56 127.604 127.387 0.217 1
1 639 . 11 1 1 A 61 61 ILE H H 57 9.231 8.968 0.263 1
1 640 . 11 1 1 A 61 61 ILE HA H 57 4.483 4.858 -0.375 1
1 650 . 11 1 1 A 61 61 ILE C C 57 176.418 176.098 0.320 1
1 651 . 11 1 1 A 61 61 ILE CA C 57 60.800 59.290 1.510 1
1 652 . 11 1 1 A 61 61 ILE CB C 57 39.431 40.363 -0.932 1
1 656 . 11 1 1 A 61 61 ILE N N 57 121.606 117.569 4.037 1
1 657 . 11 1 1 A 62 62 GLY H H 58 9.118 9.303 -0.185 1
1 658 . 11 1 1 A 62 62 GLY HA2 H 58 4.092 3.919 0.173 1
1 659 . 11 1 1 A 62 62 GLY HA3 H 58 3.951 3.944 0.007 1
1 660 . 11 1 1 A 62 62 GLY C C 58 174.058 174.305 -0.247 1
1 661 . 11 1 1 A 62 62 GLY CA C 58 47.516 47.481 0.035 1
1 662 . 11 1 1 A 62 62 GLY N N 58 118.483 115.045 3.438 1
1 663 . 11 1 1 A 63 63 ASP H H 59 8.944 8.767 0.177 1
1 664 . 11 1 1 A 63 63 ASP HA H 59 4.762 5.057 -0.295 1
1 667 . 11 1 1 A 63 63 ASP C C 59 175.220 175.098 0.122 1
1 668 . 11 1 1 A 63 63 ASP CA C 59 54.467 53.256 1.211 1
1 669 . 11 1 1 A 63 63 ASP CB C 59 40.913 41.871 -0.958 1
1 670 . 11 1 1 A 63 63 ASP N N 59 125.981 125.366 0.615 1
1 671 . 11 1 1 A 64 64 TYR H H 60 8.332 7.914 0.418 1
1 672 . 11 1 1 A 64 64 TYR HA H 60 4.600 4.958 -0.358 1
1 679 . 11 1 1 A 64 64 TYR C C 60 174.023 173.676 0.347 1
1 680 . 11 1 1 A 64 64 TYR CA C 60 57.761 56.616 1.145 1
1 681 . 11 1 1 A 64 64 TYR CB C 60 33.473 42.286 -8.813 1
1 682 . 11 1 1 A 64 64 TYR N N 60 122.443 121.258 1.185 1
1 683 . 11 1 1 A 65 65 HIS H H 61 8.625 7.357 1.268 1
1 684 . 11 1 1 A 65 65 HIS HA H 61 4.200 4.529 -0.329 1
1 689 . 11 1 1 A 65 65 HIS C C 61 171.910 175.014 -3.104 1
1 690 . 11 1 1 A 65 65 HIS CA C 61 53.347 53.044 0.303 1
1 691 . 11 1 1 A 65 65 HIS CB C 61 28.830 31.050 -2.220 1
1 692 . 11 1 1 A 65 65 HIS N N 61 129.863 121.361 8.502 1
1 693 . 11 1 1 A 66 66 VAL H H 62 8.059 8.957 -0.898 1
1 694 . 11 1 1 A 66 66 VAL HA H 62 3.316 3.746 -0.430 1
1 702 . 11 1 1 A 66 66 VAL CA C 62 64.194 65.124 -0.930 1
1 703 . 11 1 1 A 66 66 VAL CB C 62 32.770 32.215 0.555 1
1 705 . 11 1 1 A 66 66 VAL N N 62 129.219 123.253 5.966 1
1 706 . 11 1 1 A 67 67 GLY H H 63 6.327 7.849 -1.522 1
1 707 . 11 1 1 A 67 67 GLY HA2 H 63 4.503 4.005 0.498 1
1 708 . 11 1 1 A 67 67 GLY HA3 H 63 2.870 4.009 -1.139 1
1 709 . 11 1 1 A 67 67 GLY C C 63 172.156 173.721 -1.565 1
1 710 . 11 1 1 A 67 67 GLY CA C 63 43.551 45.282 -1.731 1
1 711 . 11 1 1 A 67 67 GLY N N 63 102.548 108.415 -5.867 1
1 712 . 11 1 1 A 68 68 GLY H H 64 9.095 7.816 1.279 1
1 713 . 11 1 1 A 68 68 GLY HA2 H 64 4.863 4.015 0.848 1
1 714 . 11 1 1 A 68 68 GLY HA3 H 64 3.821 4.028 -0.207 1
1 715 . 11 1 1 A 68 68 GLY C C 64 172.509 174.876 -2.367 1
1 716 . 11 1 1 A 68 68 GLY CA C 64 43.870 45.399 -1.529 1
1 717 . 11 1 1 A 68 68 GLY N N 64 110.080 108.233 1.847 1
1 718 . 11 1 1 A 69 69 CYS H H 65 8.398 8.881 -0.483 1
1 719 . 11 1 1 A 69 69 CYS HA H 65 3.846 4.162 -0.316 1
1 722 . 11 1 1 A 69 69 CYS C C 65 173.741 176.721 -2.980 1
1 723 . 11 1 1 A 69 69 CYS CA C 65 62.944 62.503 0.441 1
1 724 . 11 1 1 A 69 69 CYS CB C 65 45.022 27.547 17.475 1
1 725 . 11 1 1 A 69 69 CYS N N 65 118.292 119.366 -1.074 1
1 726 . 11 1 1 A 70 70 ASP H H 66 9.110 8.077 1.033 1
1 727 . 11 1 1 A 70 70 ASP HA H 66 5.745 4.357 1.388 1
1 730 . 11 1 1 A 70 70 ASP C C 66 178.777 178.950 -0.173 1
1 731 . 11 1 1 A 70 70 ASP CA C 66 57.437 57.188 0.249 1
1 732 . 11 1 1 A 70 70 ASP CB C 66 40.016 40.135 -0.119 1
1 733 . 11 1 1 A 70 70 ASP N N 66 123.178 120.242 2.936 1
1 734 . 11 1 1 A 71 71 ASP H H 67 7.301 8.022 -0.721 1
1 735 . 11 1 1 A 71 71 ASP HA H 67 4.362 4.262 0.100 1
1 738 . 11 1 1 A 71 71 ASP C C 67 177.474 178.734 -1.260 1
1 739 . 11 1 1 A 71 71 ASP CA C 67 57.381 57.431 -0.050 1
1 740 . 11 1 1 A 71 71 ASP CB C 67 41.503 40.568 0.935 1
1 741 . 11 1 1 A 71 71 ASP N N 67 119.848 120.039 -0.191 1
1 742 . 11 1 1 A 72 72 LEU H H 68 7.805 7.707 0.098 1
1 743 . 11 1 1 A 72 72 LEU HA H 68 3.822 4.041 -0.219 1
1 753 . 11 1 1 A 72 72 LEU C C 68 177.509 178.477 -0.968 1
1 754 . 11 1 1 A 72 72 LEU CA C 68 58.446 57.925 0.521 1
1 755 . 11 1 1 A 72 72 LEU CB C 68 42.524 41.579 0.945 1
1 757 . 11 1 1 A 72 72 LEU N N 68 121.720 117.973 3.747 1
1 758 . 11 1 1 A 73 73 TYR H H 69 8.229 8.403 -0.174 1
1 759 . 11 1 1 A 73 73 TYR HA H 69 3.772 4.307 -0.535 1
1 766 . 11 1 1 A 73 73 TYR C C 69 177.721 178.158 -0.437 1
1 767 . 11 1 1 A 73 73 TYR CA C 69 62.867 60.590 2.277 1
1 768 . 11 1 1 A 73 73 TYR CB C 69 38.215 38.085 0.130 1
1 769 . 11 1 1 A 73 73 TYR N N 69 116.501 120.428 -3.927 1
1 770 . 11 1 1 A 74 74 ALA H H 70 8.275 8.623 -0.348 1
1 771 . 11 1 1 A 74 74 ALA HA H 70 4.286 4.112 0.174 1
1 775 . 11 1 1 A 74 74 ALA C C 70 180.045 179.977 0.068 1
1 776 . 11 1 1 A 74 74 ALA CA C 70 55.701 55.197 0.504 1
1 777 . 11 1 1 A 74 74 ALA CB C 70 17.944 18.214 -0.270 1
1 778 . 11 1 1 A 74 74 ALA N N 70 122.883 121.688 1.195 1
1 779 . 11 1 1 A 75 75 LEU H H 71 7.558 8.428 -0.870 1
1 780 . 11 1 1 A 75 75 LEU HA H 71 3.975 3.854 0.121 1
1 790 . 11 1 1 A 75 75 LEU C C 71 179.024 178.912 0.112 1
1 791 . 11 1 1 A 75 75 LEU CA C 71 57.994 58.183 -0.189 1
1 792 . 11 1 1 A 75 75 LEU CB C 71 42.836 41.651 1.185 1
1 793 . 11 1 1 A 75 75 LEU N N 71 117.133 117.924 -0.791 1
1 794 . 11 1 1 A 76 76 GLU H H 72 7.587 8.295 -0.708 1
1 795 . 11 1 1 A 76 76 GLU HA H 72 4.473 3.841 0.632 1
1 800 . 11 1 1 A 76 76 GLU C C 72 179.270 178.452 0.818 1
1 801 . 11 1 1 A 76 76 GLU CA C 72 58.296 59.913 -1.617 1
1 802 . 11 1 1 A 76 76 GLU CB C 72 28.457 29.017 -0.560 1
1 803 . 11 1 1 A 76 76 GLU N N 72 121.576 119.351 2.225 1
1 804 . 11 1 1 A 77 77 ASN H H 73 8.863 7.954 0.909 1
1 805 . 11 1 1 A 77 77 ASN HA H 73 4.511 4.459 0.052 1
1 810 . 11 1 1 A 77 77 ASN C C 73 176.664 177.131 -0.467 1
1 811 . 11 1 1 A 77 77 ASN CA C 73 55.944 55.475 0.469 1
1 812 . 11 1 1 A 77 77 ASN CB C 73 38.660 38.495 0.165 1
1 814 . 11 1 1 A 77 77 ASN N N 73 120.232 118.076 2.156 1
1 816 . 11 1 1 A 78 78 LYS H H 74 7.617 7.620 -0.003 1
1 817 . 11 1 1 A 78 78 LYS HA H 74 4.426 4.303 0.123 1
1 826 . 11 1 1 A 78 78 LYS C C 74 176.312 176.435 -0.123 1
1 827 . 11 1 1 A 78 78 LYS CA C 74 55.863 56.269 -0.406 1
1 828 . 11 1 1 A 78 78 LYS CB C 74 33.482 32.954 0.528 1
1 829 . 11 1 1 A 78 78 LYS N N 74 115.597 116.685 -1.088 1
1 830 . 11 1 1 A 79 79 GLY H H 75 8.023 7.561 0.462 1
1 831 . 11 1 1 A 79 79 GLY HA2 H 75 4.060 4.000 0.060 1
1 832 . 11 1 1 A 79 79 GLY HA3 H 75 4.060 4.001 0.059 1
1 833 . 11 1 1 A 79 79 GLY C C 75 175.009 175.752 -0.743 1
1 834 . 11 1 1 A 79 79 GLY CA C 75 46.234 45.109 1.125 1
1 835 . 11 1 1 A 79 79 GLY N N 75 109.073 105.791 3.282 1
1 836 . 11 1 1 A 80 80 LYS H H 76 8.091 8.526 -0.435 1
1 837 . 11 1 1 A 80 80 LYS HA H 76 4.422 4.334 0.088 1
1 846 . 11 1 1 A 80 80 LYS C C 76 173.037 177.605 -4.568 1
1 847 . 11 1 1 A 80 80 LYS CA C 76 55.679 56.734 -1.055 1
1 848 . 11 1 1 A 80 80 LYS CB C 76 35.038 32.569 2.469 1
1 849 . 11 1 1 A 80 80 LYS N N 76 116.888 120.386 -3.498 1
1 850 . 11 1 1 A 81 81 LEU H H 77 7.411 7.753 -0.342 1
1 851 . 11 1 1 A 81 81 LEU HA H 77 4.003 3.909 0.094 1
1 861 . 11 1 1 A 81 81 LEU C C 77 177.333 177.701 -0.368 1
1 862 . 11 1 1 A 81 81 LEU CA C 77 57.512 57.961 -0.449 1
1 863 . 11 1 1 A 81 81 LEU CB C 77 40.676 41.323 -0.647 1
1 864 . 11 1 1 A 81 81 LEU N N 77 122.079 122.157 -0.078 1
1 865 . 11 1 1 A 82 82 ASP H H 78 8.613 8.166 0.447 1
1 866 . 11 1 1 A 82 82 ASP HA H 78 4.232 4.253 -0.021 1
1 869 . 11 1 1 A 82 82 ASP C C 78 178.354 178.294 0.060 1
1 870 . 11 1 1 A 82 82 ASP CA C 78 58.438 57.783 0.655 1
1 871 . 11 1 1 A 82 82 ASP CB C 78 39.890 41.953 -2.063 1
1 872 . 11 1 1 A 82 82 ASP N N 78 118.813 119.758 -0.945 1
1 873 . 11 1 1 A 83 83 SER H H 79 7.886 7.530 0.356 1
1 874 . 11 1 1 A 83 83 SER HA H 79 4.164 4.218 -0.054 1
1 877 . 11 1 1 A 83 83 SER C C 79 176.171 177.526 -1.355 1
1 878 . 11 1 1 A 83 83 SER CA C 79 61.285 61.327 -0.042 1
1 879 . 11 1 1 A 83 83 SER CB C 79 62.632 62.932 -0.300 1
1 880 . 11 1 1 A 83 83 SER N N 79 113.338 113.852 -0.514 1
1 881 . 11 1 1 A 84 84 LEU H H 80 7.354 8.136 -0.782 1
1 882 . 11 1 1 A 84 84 LEU HA H 80 4.152 3.983 0.169 1
1 892 . 11 1 1 A 84 84 LEU C C 80 173.671 179.013 -5.342 1
1 893 . 11 1 1 A 84 84 LEU CA C 80 56.841 58.259 -1.418 1
1 894 . 11 1 1 A 84 84 LEU CB C 80 42.682 41.488 1.194 1
1 897 . 11 1 1 A 84 84 LEU N N 80 121.453 121.716 -0.263 1
1 898 . 11 1 1 A 85 85 LEU H H 81 7.655 8.569 -0.914 1
1 899 . 11 1 1 A 85 85 LEU HA H 81 4.113 4.004 0.109 1
1 909 . 11 1 1 A 85 85 LEU C C 81 177.333 178.860 -1.527 1
1 910 . 11 1 1 A 85 85 LEU CA C 81 55.748 58.155 -2.407 1
1 911 . 11 1 1 A 85 85 LEU CB C 81 41.707 40.770 0.937 1
1 914 . 11 1 1 A 85 85 LEU N N 81 115.497 118.890 -3.393 1
1 915 . 11 1 1 A 86 86 GLN H H 82 7.414 8.424 -1.010 1
1 916 . 11 1 1 A 86 86 GLN HA H 82 4.177 4.068 0.109 1
1 923 . 11 1 1 A 86 86 GLN C C 82 175.537 177.286 -1.749 1
1 924 . 11 1 1 A 86 86 GLN CA C 82 56.986 58.700 -1.714 1
1 925 . 11 1 1 A 86 86 GLN CB C 82 29.187 28.890 0.297 1
1 928 . 11 1 1 A 86 86 GLN N N 82 117.020 118.416 -1.396 1
1 930 . 11 1 1 A 87 87 ASP H H 83 8.092 7.983 0.109 1
1 931 . 11 1 1 A 87 87 ASP HA H 83 4.672 4.677 -0.005 1
1 934 . 11 1 1 A 87 87 ASP C C 83 177.263 178.563 -1.300 1
1 935 . 11 1 1 A 87 87 ASP CA C 83 54.394 56.413 -2.019 1
1 936 . 11 1 1 A 87 87 ASP CB C 83 40.722 41.111 -0.389 1
1 937 . 11 1 1 A 87 87 ASP N N 83 119.072 118.563 0.509 1
1 938 . 11 1 1 A 88 88 VAL H H 84 7.692 8.023 -0.331 1
1 939 . 11 1 1 A 88 88 VAL HA H 84 4.175 3.826 0.349 1
1 947 . 11 1 1 A 88 88 VAL C C 84 174.164 177.877 -3.713 1
1 948 . 11 1 1 A 88 88 VAL CA C 84 62.165 65.531 -3.366 1
1 949 . 11 1 1 A 88 88 VAL CB C 84 32.284 31.503 0.781 1
1 952 . 11 1 1 A 88 88 VAL N N 84 118.778 115.764 3.014 1
1 1 . 12 1 1 A 2 2 PRO C C -2 177.005 175.451 1.554 1
1 2 . 12 1 1 A 2 2 PRO CA C -2 63.481 62.473 1.008 1
1 3 . 12 1 1 A 2 2 PRO CB C -2 32.244 30.070 2.174 1
1 4 . 12 1 1 A 3 3 GLY H H -1 8.665 7.943 0.722 1
1 5 . 12 1 1 A 3 3 GLY HA2 H -1 3.985 4.173 -0.188 1
1 6 . 12 1 1 A 3 3 GLY HA3 H -1 3.985 4.194 -0.209 1
1 7 . 12 1 1 A 3 3 GLY C C -1 173.706 171.836 1.870 1
1 8 . 12 1 1 A 3 3 GLY CA C -1 45.291 45.776 -0.485 1
1 9 . 12 1 1 A 3 3 GLY N N -1 109.788 110.876 -1.088 1
1 10 . 12 1 1 A 4 4 SER H H 0 8.190 8.682 -0.492 1
1 11 . 12 1 1 A 4 4 SER HA H 0 4.477 5.107 -0.630 1
1 14 . 12 1 1 A 4 4 SER C C 0 175.738 173.077 2.661 1
1 15 . 12 1 1 A 4 4 SER CA C 0 58.322 57.633 0.689 1
1 16 . 12 1 1 A 4 4 SER CB C 0 63.927 65.711 -1.784 1
1 17 . 12 1 1 A 4 4 SER N N 0 115.613 116.246 -0.633 1
1 18 . 12 1 1 A 5 5 MET H H 1 8.458 8.959 -0.501 1
1 19 . 12 1 1 A 5 5 MET HA H 1 4.320 5.275 -0.955 1
1 27 . 12 1 1 A 5 5 MET C C 1 173.977 174.980 -1.003 1
1 28 . 12 1 1 A 5 5 MET CA C 1 56.011 53.498 2.513 1
1 29 . 12 1 1 A 5 5 MET CB C 1 33.797 35.156 -1.359 1
1 30 . 12 1 1 A 5 5 MET N N 1 122.334 124.816 -2.482 1
1 31 . 12 1 1 A 6 6 LYS H H 2 8.445 8.818 -0.373 1
1 32 . 12 1 1 A 6 6 LYS HA H 2 4.566 4.979 -0.413 1
1 39 . 12 1 1 A 6 6 LYS C C 2 174.575 175.053 -0.478 1
1 40 . 12 1 1 A 6 6 LYS CA C 2 55.887 54.451 1.436 1
1 41 . 12 1 1 A 6 6 LYS CB C 2 33.848 37.020 -3.172 1
1 42 . 12 1 1 A 6 6 LYS N N 2 122.229 122.111 0.118 1
1 43 . 12 1 1 A 7 7 GLU H H 3 8.324 8.871 -0.547 1
1 44 . 12 1 1 A 7 7 GLU HA H 3 4.440 5.029 -0.589 1
1 49 . 12 1 1 A 7 7 GLU C C 3 175.491 174.355 1.136 1
1 50 . 12 1 1 A 7 7 GLU CA C 3 55.680 54.609 1.071 1
1 51 . 12 1 1 A 7 7 GLU CB C 3 31.513 33.618 -2.105 1
1 52 . 12 1 1 A 7 7 GLU N N 3 121.539 117.730 3.809 1
1 53 . 12 1 1 A 8 8 ILE H H 4 9.014 8.950 0.064 1
1 54 . 12 1 1 A 8 8 ILE HA H 4 5.025 5.086 -0.061 1
1 64 . 12 1 1 A 8 8 ILE C C 4 174.199 173.820 0.379 1
1 65 . 12 1 1 A 8 8 ILE CA C 4 60.927 59.877 1.050 1
1 66 . 12 1 1 A 8 8 ILE CB C 4 38.759 41.101 -2.342 1
1 69 . 12 1 1 A 8 8 ILE N N 4 127.255 123.908 3.347 1
1 70 . 12 1 1 A 9 9 ILE H H 5 9.104 9.390 -0.286 1
1 71 . 12 1 1 A 9 9 ILE HA H 5 4.900 4.816 0.084 1
1 81 . 12 1 1 A 9 9 ILE C C 5 173.906 175.257 -1.351 1
1 82 . 12 1 1 A 9 9 ILE CA C 5 59.727 60.152 -0.425 1
1 83 . 12 1 1 A 9 9 ILE CB C 5 41.627 40.895 0.732 1
1 87 . 12 1 1 A 9 9 ILE N N 5 128.326 129.075 -0.749 1
1 88 . 12 1 1 A 10 10 LEU H H 6 8.891 9.016 -0.125 1
1 89 . 12 1 1 A 10 10 LEU HA H 6 5.157 5.205 -0.048 1
1 96 . 12 1 1 A 10 10 LEU CA C 6 54.076 53.362 0.714 1
1 97 . 12 1 1 A 10 10 LEU CB C 6 44.892 43.811 1.081 1
1 100 . 12 1 1 A 10 10 LEU N N 6 125.779 126.724 -0.945 1
1 101 . 12 1 1 A 11 11 TYR H H 7 9.099 9.104 -0.005 1
1 102 . 12 1 1 A 11 11 TYR HA H 7 4.336 5.331 -0.995 1
1 109 . 12 1 1 A 11 11 TYR C C 7 177.041 175.510 1.531 1
1 110 . 12 1 1 A 11 11 TYR CA C 7 57.379 56.512 0.867 1
1 111 . 12 1 1 A 11 11 TYR CB C 7 40.345 39.963 0.382 1
1 112 . 12 1 1 A 12 12 THR H H 8 9.286 8.630 0.656 1
1 113 . 12 1 1 A 12 12 THR HA H 8 5.105 5.024 0.081 1
1 118 . 12 1 1 A 12 12 THR C C 8 172.005 173.195 -1.190 1
1 119 . 12 1 1 A 12 12 THR CA C 8 60.604 61.060 -0.456 1
1 120 . 12 1 1 A 12 12 THR CB C 8 73.108 70.862 2.246 1
1 122 . 12 1 1 A 12 12 THR N N 8 111.938 114.664 -2.726 1
1 123 . 12 1 1 A 13 13 ARG H H 9 7.513 8.374 -0.861 1
1 124 . 12 1 1 A 13 13 ARG HA H 9 4.826 4.770 0.056 1
1 131 . 12 1 1 A 13 13 ARG CA C 9 52.836 54.296 -1.460 1
1 132 . 12 1 1 A 13 13 ARG CB C 9 31.436 30.893 0.543 1
1 133 . 12 1 1 A 13 13 ARG N N 9 114.036 121.010 -6.974 1
1 134 . 12 1 1 A 14 14 PRO HA H 10 4.294 4.355 -0.061 1
1 141 . 12 1 1 A 14 14 PRO C C 10 176.477 176.569 -0.092 1
1 142 . 12 1 1 A 14 14 PRO CA C 10 63.464 63.164 0.300 1
1 143 . 12 1 1 A 14 14 PRO CB C 10 32.615 32.373 0.242 1
1 144 . 12 1 1 A 15 15 ASN H H 11 8.987 8.929 0.058 1
1 145 . 12 1 1 A 15 15 ASN HA H 11 4.240 4.277 -0.037 1
1 150 . 12 1 1 A 15 15 ASN C C 11 176.266 174.365 1.901 1
1 151 . 12 1 1 A 15 15 ASN CA C 11 54.464 54.805 -0.341 1
1 152 . 12 1 1 A 15 15 ASN CB C 11 37.500 37.075 0.425 1
1 154 . 12 1 1 A 15 15 ASN N N 11 115.463 113.909 1.554 1
1 156 . 12 1 1 A 16 16 CYS H H 12 7.324 7.819 -0.495 1
1 157 . 12 1 1 A 16 16 CYS HA H 12 4.931 4.357 0.574 1
1 160 . 12 1 1 A 16 16 CYS CA C 12 56.277 57.511 -1.234 1
1 161 . 12 1 1 A 16 16 CYS N N 12 123.174 116.614 6.560 1
1 162 . 12 1 1 A 17 17 PRO C C 13 178.555 178.245 0.310 1
1 163 . 12 1 1 A 17 17 PRO CA C 13 64.409 65.181 -0.772 1
1 164 . 12 1 1 A 17 17 PRO CB C 13 33.538 31.905 1.633 1
1 165 . 12 1 1 A 18 18 TYR H H 14 9.325 8.181 1.144 1
1 166 . 12 1 1 A 18 18 TYR HA H 14 4.404 4.300 0.104 1
1 173 . 12 1 1 A 18 18 TYR CA C 14 60.921 60.571 0.350 1
1 174 . 12 1 1 A 18 18 TYR N N 14 127.149 115.164 11.985 1
1 175 . 12 1 1 A 19 19 CYS H H 15 9.687 7.391 2.296 1
1 176 . 12 1 1 A 19 19 CYS HA H 15 4.725 4.278 0.447 1
1 177 . 12 1 1 A 19 19 CYS C C 15 174.998 176.765 -1.767 1
1 178 . 12 1 1 A 19 19 CYS CA C 15 64.573 61.365 3.208 1
1 179 . 12 1 1 A 19 19 CYS CB C 15 29.227 26.977 2.250 1
1 180 . 12 1 1 A 19 19 CYS N N 15 127.652 119.850 7.802 1
1 181 . 12 1 1 A 20 20 LYS H H 16 7.706 8.001 -0.295 1
1 182 . 12 1 1 A 20 20 LYS HA H 16 3.946 3.902 0.044 1
1 191 . 12 1 1 A 20 20 LYS C C 16 177.252 179.343 -2.091 1
1 192 . 12 1 1 A 20 20 LYS CA C 16 59.857 59.693 0.164 1
1 193 . 12 1 1 A 20 20 LYS CB C 16 32.542 32.310 0.232 1
1 194 . 12 1 1 A 20 20 LYS N N 16 119.200 121.069 -1.869 1
1 195 . 12 1 1 A 21 21 ARG H H 17 7.839 7.993 -0.154 1
1 196 . 12 1 1 A 21 21 ARG HA H 17 4.176 4.101 0.075 1
1 203 . 12 1 1 A 21 21 ARG C C 17 179.858 178.915 0.943 1
1 204 . 12 1 1 A 21 21 ARG CA C 17 59.647 59.137 0.510 1
1 205 . 12 1 1 A 21 21 ARG CB C 17 30.340 30.240 0.100 1
1 206 . 12 1 1 A 21 21 ARG N N 17 117.964 119.987 -2.023 1
1 207 . 12 1 1 A 22 22 ALA H H 18 8.084 8.183 -0.099 1
1 208 . 12 1 1 A 22 22 ALA HA H 18 4.168 4.180 -0.012 1
1 212 . 12 1 1 A 22 22 ALA C C 18 177.322 179.604 -2.282 1
1 213 . 12 1 1 A 22 22 ALA CA C 18 55.859 55.362 0.497 1
1 214 . 12 1 1 A 22 22 ALA CB C 18 19.047 18.185 0.862 1
1 215 . 12 1 1 A 22 22 ALA N N 18 124.839 122.009 2.830 1
1 216 . 12 1 1 A 23 23 ARG H H 19 7.811 7.917 -0.106 1
1 217 . 12 1 1 A 23 23 ARG HA H 19 3.320 3.567 -0.247 1
1 224 . 12 1 1 A 23 23 ARG C C 19 177.217 178.167 -0.950 1
1 225 . 12 1 1 A 23 23 ARG CA C 19 60.780 58.751 2.029 1
1 226 . 12 1 1 A 23 23 ARG CB C 19 30.828 29.883 0.945 1
1 227 . 12 1 1 A 23 23 ARG N N 19 116.980 117.129 -0.149 1
1 228 . 12 1 1 A 24 24 ASP H H 20 8.710 7.992 0.718 1
1 229 . 12 1 1 A 24 24 ASP HA H 20 4.299 4.446 -0.147 1
1 232 . 12 1 1 A 24 24 ASP C C 20 178.625 178.876 -0.251 1
1 233 . 12 1 1 A 24 24 ASP CA C 20 57.477 57.114 0.363 1
1 234 . 12 1 1 A 24 24 ASP CB C 20 40.551 40.907 -0.356 1
1 235 . 12 1 1 A 24 24 ASP N N 20 116.717 119.722 -3.005 1
1 236 . 12 1 1 A 25 25 LEU H H 21 7.114 8.016 -0.902 1
1 237 . 12 1 1 A 25 25 LEU HA H 21 4.131 4.103 0.028 1
1 246 . 12 1 1 A 25 25 LEU C C 21 177.580 178.481 -0.901 1
1 247 . 12 1 1 A 25 25 LEU CA C 21 57.857 58.360 -0.503 1
1 248 . 12 1 1 A 25 25 LEU CB C 21 41.654 41.436 0.218 1
1 251 . 12 1 1 A 25 25 LEU N N 21 119.808 121.525 -1.717 1
1 252 . 12 1 1 A 26 26 LEU H H 22 7.294 8.156 -0.862 1
1 253 . 12 1 1 A 26 26 LEU HA H 22 3.767 3.818 -0.051 1
1 262 . 12 1 1 A 26 26 LEU C C 22 178.696 178.721 -0.025 1
1 263 . 12 1 1 A 26 26 LEU CA C 22 58.107 58.214 -0.107 1
1 264 . 12 1 1 A 26 26 LEU CB C 22 40.750 41.899 -1.149 1
1 267 . 12 1 1 A 26 26 LEU N N 22 117.901 118.787 -0.886 1
1 268 . 12 1 1 A 27 27 ASP H H 23 9.446 8.397 1.049 1
1 269 . 12 1 1 A 27 27 ASP HA H 23 4.608 4.497 0.111 1
1 272 . 12 1 1 A 27 27 ASP C C 23 180.104 178.669 1.435 1
1 273 . 12 1 1 A 27 27 ASP CA C 23 57.406 57.436 -0.030 1
1 274 . 12 1 1 A 27 27 ASP CB C 23 39.839 41.968 -2.129 1
1 275 . 12 1 1 A 27 27 ASP N N 23 119.946 118.640 1.306 1
1 276 . 12 1 1 A 28 28 LYS H H 24 7.915 8.004 -0.089 1
1 277 . 12 1 1 A 28 28 LYS HA H 24 4.079 4.074 0.005 1
1 286 . 12 1 1 A 28 28 LYS C C 24 178.414 179.733 -1.319 1
1 287 . 12 1 1 A 28 28 LYS CA C 24 59.295 59.620 -0.325 1
1 288 . 12 1 1 A 28 28 LYS CB C 24 32.342 32.272 0.070 1
1 289 . 12 1 1 A 28 28 LYS N N 24 122.484 119.065 3.419 1
1 290 . 12 1 1 A 29 29 LYS H H 25 7.763 7.696 0.067 1
1 291 . 12 1 1 A 29 29 LYS HA H 25 4.195 4.222 -0.027 1
1 300 . 12 1 1 A 29 29 LYS C C 25 176.583 177.064 -0.481 1
1 301 . 12 1 1 A 29 29 LYS CA C 25 56.122 56.581 -0.459 1
1 302 . 12 1 1 A 29 29 LYS CB C 25 32.771 32.980 -0.209 1
1 303 . 12 1 1 A 29 29 LYS N N 25 116.683 116.468 0.215 1
1 304 . 12 1 1 A 30 30 GLY H H 26 7.961 8.131 -0.170 1
1 305 . 12 1 1 A 30 30 GLY HA2 H 26 4.005 4.013 -0.008 1
1 306 . 12 1 1 A 30 30 GLY HA3 H 26 3.894 4.021 -0.127 1
1 307 . 12 1 1 A 30 30 GLY C C 26 174.223 173.851 0.372 1
1 308 . 12 1 1 A 30 30 GLY CA C 26 46.265 46.457 -0.192 1
1 309 . 12 1 1 A 30 30 GLY N N 26 108.209 106.804 1.405 1
1 310 . 12 1 1 A 31 31 VAL H H 27 7.440 7.185 0.255 1
1 311 . 12 1 1 A 31 31 VAL HA H 27 4.355 4.970 -0.615 1
1 319 . 12 1 1 A 31 31 VAL C C 27 174.294 174.256 0.038 1
1 320 . 12 1 1 A 31 31 VAL CA C 27 60.115 59.118 0.997 1
1 321 . 12 1 1 A 31 31 VAL CB C 27 33.737 36.238 -2.501 1
1 323 . 12 1 1 A 31 31 VAL N N 27 114.927 114.002 0.925 1
1 324 . 12 1 1 A 32 32 LYS H H 28 8.408 8.634 -0.226 1
1 325 . 12 1 1 A 32 32 LYS HA H 28 4.268 4.853 -0.585 1
1 334 . 12 1 1 A 32 32 LYS C C 28 175.385 175.576 -0.191 1
1 335 . 12 1 1 A 32 32 LYS CA C 28 55.441 54.900 0.541 1
1 336 . 12 1 1 A 32 32 LYS CB C 28 33.269 33.395 -0.126 1
1 337 . 12 1 1 A 32 32 LYS N N 28 124.540 121.079 3.461 1
1 338 . 12 1 1 A 33 33 TYR H H 29 7.451 8.840 -1.389 1
1 339 . 12 1 1 A 33 33 TYR HA H 29 5.149 5.514 -0.365 1
1 346 . 12 1 1 A 33 33 TYR C C 29 173.730 174.879 -1.149 1
1 347 . 12 1 1 A 33 33 TYR CA C 29 57.198 55.821 1.377 1
1 348 . 12 1 1 A 33 33 TYR CB C 29 41.499 41.122 0.377 1
1 353 . 12 1 1 A 33 33 TYR N N 29 117.090 124.033 -6.943 1
1 354 . 12 1 1 A 34 34 THR H H 30 9.106 8.997 0.109 1
1 355 . 12 1 1 A 34 34 THR HA H 30 4.368 4.868 -0.500 1
1 360 . 12 1 1 A 34 34 THR C C 30 171.336 173.107 -1.771 1
1 361 . 12 1 1 A 34 34 THR CA C 30 62.096 61.549 0.547 1
1 362 . 12 1 1 A 34 34 THR CB C 30 70.603 69.619 0.984 1
1 364 . 12 1 1 A 34 34 THR N N 30 119.343 116.941 2.402 1
1 365 . 12 1 1 A 35 35 ASP H H 31 8.772 8.880 -0.108 1
1 366 . 12 1 1 A 35 35 ASP HA H 31 5.283 5.095 0.188 1
1 369 . 12 1 1 A 35 35 ASP C C 31 175.245 175.059 0.186 1
1 370 . 12 1 1 A 35 35 ASP CA C 31 52.549 53.027 -0.478 1
1 371 . 12 1 1 A 35 35 ASP CB C 31 42.286 41.769 0.517 1
1 372 . 12 1 1 A 35 35 ASP N N 31 129.184 126.377 2.807 1
1 373 . 12 1 1 A 36 36 ILE H H 32 9.283 9.066 0.217 1
1 374 . 12 1 1 A 36 36 ILE HA H 32 4.081 4.375 -0.294 1
1 384 . 12 1 1 A 36 36 ILE C C 32 175.854 175.562 0.292 1
1 385 . 12 1 1 A 36 36 ILE CA C 32 60.226 60.333 -0.107 1
1 386 . 12 1 1 A 36 36 ILE CB C 32 39.998 38.000 1.998 1
1 388 . 12 1 1 A 36 36 ILE N N 32 129.240 125.842 3.398 1
1 389 . 12 1 1 A 37 37 ASP H H 33 8.298 8.813 -0.515 1
1 390 . 12 1 1 A 37 37 ASP HA H 33 4.648 4.573 0.075 1
1 393 . 12 1 1 A 37 37 ASP CA C 33 54.101 54.806 -0.705 1
1 394 . 12 1 1 A 37 37 ASP CB C 33 40.536 41.327 -0.791 1
1 395 . 12 1 1 A 37 37 ASP N N 33 125.570 127.784 -2.214 1
1 396 . 12 1 1 A 38 38 ALA H H 34 9.840 8.723 1.117 1
1 397 . 12 1 1 A 38 38 ALA HA H 34 4.620 4.075 0.545 1
1 401 . 12 1 1 A 38 38 ALA C C 34 175.185 177.786 -2.601 1
1 402 . 12 1 1 A 38 38 ALA CA C 34 51.239 54.804 -3.565 1
1 403 . 12 1 1 A 38 38 ALA CB C 34 20.627 18.539 2.088 1
1 404 . 12 1 1 A 38 38 ALA N N 34 134.980 124.768 10.212 1
1 405 . 12 1 1 A 39 39 SER H H 35 8.679 7.569 1.110 1
1 406 . 12 1 1 A 39 39 SER HA H 35 4.189 4.310 -0.121 1
1 409 . 12 1 1 A 39 39 SER C C 35 175.713 175.716 -0.003 1
1 410 . 12 1 1 A 39 39 SER CA C 35 60.956 58.622 2.334 1
1 411 . 12 1 1 A 39 39 SER CB C 35 64.425 64.100 0.325 1
1 412 . 12 1 1 A 39 39 SER N N 35 111.865 114.486 -2.621 1
1 413 . 12 1 1 A 40 40 THR H H 36 8.438 8.682 -0.244 1
1 414 . 12 1 1 A 40 40 THR HA H 36 4.672 3.897 0.775 1
1 419 . 12 1 1 A 40 40 THR CA C 36 59.859 65.349 -5.490 1
1 421 . 12 1 1 A 40 40 THR N N 36 114.335 121.493 -7.158 1
1 422 . 12 1 1 A 41 41 SER C C 37 174.129 175.669 -1.540 1
1 423 . 12 1 1 A 41 41 SER CA C 37 60.964 62.295 -1.331 1
1 424 . 12 1 1 A 41 41 SER CB C 37 63.605 62.755 0.850 1
1 425 . 12 1 1 A 42 42 LEU H H 38 8.643 7.819 0.824 1
1 426 . 12 1 1 A 42 42 LEU HA H 38 4.679 4.377 0.302 1
1 436 . 12 1 1 A 42 42 LEU C C 38 176.347 177.987 -1.640 1
1 437 . 12 1 1 A 42 42 LEU CA C 38 54.842 55.702 -0.860 1
1 438 . 12 1 1 A 42 42 LEU CB C 38 41.117 43.583 -2.466 1
1 439 . 12 1 1 A 42 42 LEU N N 38 121.245 118.189 3.056 1
1 440 . 12 1 1 A 43 43 ARG H H 39 7.583 8.355 -0.772 1
1 441 . 12 1 1 A 43 43 ARG HA H 39 4.173 4.054 0.119 1
1 448 . 12 1 1 A 43 43 ARG C C 39 175.925 178.476 -2.551 1
1 449 . 12 1 1 A 43 43 ARG CA C 39 60.907 59.888 1.019 1
1 450 . 12 1 1 A 43 43 ARG N N 39 123.341 120.942 2.399 1
1 451 . 12 1 1 A 44 44 GLN H H 40 8.203 8.072 0.131 1
1 452 . 12 1 1 A 44 44 GLN HA H 40 3.974 3.936 0.038 1
1 459 . 12 1 1 A 44 44 GLN C C 40 175.608 178.034 -2.426 1
1 460 . 12 1 1 A 44 44 GLN CA C 40 58.622 59.220 -0.598 1
1 461 . 12 1 1 A 44 44 GLN CB C 40 28.591 28.210 0.381 1
1 464 . 12 1 1 A 44 44 GLN N N 40 114.940 118.655 -3.715 1
1 466 . 12 1 1 A 45 45 GLU H H 41 7.616 8.310 -0.694 1
1 467 . 12 1 1 A 45 45 GLU HA H 41 3.947 4.072 -0.125 1
1 472 . 12 1 1 A 45 45 GLU CA C 41 59.009 59.501 -0.492 1
1 473 . 12 1 1 A 45 45 GLU CB C 41 30.110 29.258 0.852 1
1 474 . 12 1 1 A 45 45 GLU N N 41 120.916 117.713 3.203 1
1 475 . 12 1 1 A 46 46 MET H H 42 7.474 8.177 -0.703 1
1 476 . 12 1 1 A 46 46 MET HA H 42 4.778 4.188 0.590 1
1 483 . 12 1 1 A 46 46 MET C C 42 176.347 178.222 -1.875 1
1 484 . 12 1 1 A 46 46 MET CA C 42 59.567 58.165 1.402 1
1 485 . 12 1 1 A 46 46 MET CB C 42 30.294 33.245 -2.951 1
1 487 . 12 1 1 A 46 46 MET N N 42 118.736 119.283 -0.547 1
1 488 . 12 1 1 A 47 47 VAL H H 43 8.006 8.573 -0.567 1
1 489 . 12 1 1 A 47 47 VAL HA H 43 3.624 3.407 0.217 1
1 497 . 12 1 1 A 47 47 VAL C C 43 176.911 177.386 -0.475 1
1 498 . 12 1 1 A 47 47 VAL CA C 43 65.362 64.892 0.470 1
1 499 . 12 1 1 A 47 47 VAL CB C 43 31.859 30.700 1.159 1
1 501 . 12 1 1 A 47 47 VAL N N 43 116.804 118.601 -1.797 1
1 502 . 12 1 1 A 48 48 GLN H H 44 7.935 8.004 -0.069 1
1 503 . 12 1 1 A 48 48 GLN HA H 44 3.972 3.911 0.061 1
1 510 . 12 1 1 A 48 48 GLN C C 44 178.636 178.074 0.562 1
1 511 . 12 1 1 A 48 48 GLN CA C 44 58.472 59.009 -0.537 1
1 512 . 12 1 1 A 48 48 GLN CB C 44 30.542 28.438 2.104 1
1 513 . 12 1 1 A 48 48 GLN N N 44 117.704 122.274 -4.570 1
1 515 . 12 1 1 A 49 49 ARG H H 45 8.100 8.049 0.051 1
1 516 . 12 1 1 A 49 49 ARG HA H 45 3.906 4.069 -0.163 1
1 521 . 12 1 1 A 49 49 ARG CA C 45 59.397 58.589 0.808 1
1 522 . 12 1 1 A 49 49 ARG CB C 45 29.993 29.671 0.322 1
1 523 . 12 1 1 A 49 49 ARG N N 45 120.984 119.716 1.268 1
1 524 . 12 1 1 A 50 50 ALA H H 46 8.279 7.570 0.709 1
1 525 . 12 1 1 A 50 50 ALA HA H 46 3.782 4.120 -0.338 1
1 529 . 12 1 1 A 50 50 ALA C C 46 178.073 178.752 -0.679 1
1 530 . 12 1 1 A 50 50 ALA CA C 46 51.408 54.655 -3.247 1
1 531 . 12 1 1 A 50 50 ALA CB C 46 18.883 18.513 0.370 1
1 532 . 12 1 1 A 50 50 ALA N N 46 118.254 122.434 -4.180 1
1 533 . 12 1 1 A 51 51 ASN H H 47 7.706 7.941 -0.235 1
1 534 . 12 1 1 A 51 51 ASN HA H 47 4.420 5.083 -0.663 1
1 539 . 12 1 1 A 51 51 ASN C C 47 174.974 175.775 -0.801 1
1 540 . 12 1 1 A 51 51 ASN CA C 47 54.303 53.681 0.622 1
1 541 . 12 1 1 A 51 51 ASN CB C 47 37.804 40.775 -2.971 1
1 543 . 12 1 1 A 51 51 ASN N N 47 115.277 112.133 3.144 1
1 545 . 12 1 1 A 52 52 GLY H H 48 8.702 7.567 1.135 1
1 546 . 12 1 1 A 52 52 GLY HA2 H 48 4.267 4.045 0.222 1
1 547 . 12 1 1 A 52 52 GLY HA3 H 48 3.379 4.056 -0.677 1
1 548 . 12 1 1 A 52 52 GLY CA C 48 45.176 45.517 -0.341 1
1 549 . 12 1 1 A 52 52 GLY N N 48 104.035 107.051 -3.016 1
1 550 . 12 1 1 A 53 53 ARG H H 49 7.116 8.014 -0.898 1
1 551 . 12 1 1 A 53 53 ARG HA H 49 4.144 4.897 -0.753 1
1 558 . 12 1 1 A 53 53 ARG C C 49 176.101 174.161 1.940 1
1 559 . 12 1 1 A 53 53 ARG CA C 49 57.285 55.286 1.999 1
1 560 . 12 1 1 A 53 53 ARG N N 49 121.384 121.775 -0.391 1
1 561 . 12 1 1 A 54 54 ASN H H 50 7.958 8.639 -0.681 1
1 562 . 12 1 1 A 54 54 ASN HA H 50 4.589 5.249 -0.660 1
1 567 . 12 1 1 A 54 54 ASN CA C 50 51.568 53.263 -1.695 1
1 568 . 12 1 1 A 54 54 ASN CB C 50 38.018 42.351 -4.333 1
1 570 . 12 1 1 A 54 54 ASN N N 50 116.546 123.458 -6.912 1
1 572 . 12 1 1 A 55 55 THR H H 51 6.818 8.734 -1.916 1
1 573 . 12 1 1 A 55 55 THR HA H 51 4.283 4.582 -0.299 1
1 578 . 12 1 1 A 55 55 THR C C 51 172.509 172.110 0.399 1
1 579 . 12 1 1 A 55 55 THR CA C 51 59.829 60.963 -1.134 1
1 580 . 12 1 1 A 55 55 THR CB C 51 70.400 69.109 1.291 1
1 582 . 12 1 1 A 55 55 THR N N 51 108.070 117.298 -9.228 1
1 583 . 12 1 1 A 56 56 PHE H H 52 8.444 7.953 0.491 1
1 584 . 12 1 1 A 56 56 PHE HA H 52 4.730 4.881 -0.151 1
1 592 . 12 1 1 A 56 56 PHE CA C 52 55.529 55.799 -0.270 1
1 593 . 12 1 1 A 56 56 PHE N N 52 116.926 125.089 -8.163 1
1 594 . 12 1 1 A 57 57 PRO CA C 53 62.827 63.095 -0.268 1
1 595 . 12 1 1 A 57 57 PRO CB C 53 35.258 32.725 2.533 1
1 596 . 12 1 1 A 58 58 GLN H H 54 8.070 8.433 -0.363 1
1 597 . 12 1 1 A 58 58 GLN HA H 54 4.853 5.047 -0.194 1
1 604 . 12 1 1 A 58 58 GLN C C 54 175.291 173.257 2.034 1
1 605 . 12 1 1 A 58 58 GLN CA C 54 55.071 55.153 -0.082 1
1 606 . 12 1 1 A 58 58 GLN CB C 54 32.237 31.027 1.210 1
1 607 . 12 1 1 A 58 58 GLN N N 54 113.697 116.972 -3.275 1
1 609 . 12 1 1 A 59 59 ILE H H 55 8.753 8.890 -0.137 1
1 610 . 12 1 1 A 59 59 ILE HA H 55 5.089 4.720 0.369 1
1 620 . 12 1 1 A 59 59 ILE C C 55 174.164 175.254 -1.090 1
1 621 . 12 1 1 A 59 59 ILE CA C 55 61.194 60.787 0.407 1
1 622 . 12 1 1 A 59 59 ILE CB C 55 40.657 39.067 1.590 1
1 625 . 12 1 1 A 59 59 ILE N N 55 122.202 121.716 0.486 1
1 626 . 12 1 1 A 60 60 PHE H H 56 9.564 9.471 0.093 1
1 627 . 12 1 1 A 60 60 PHE HA H 56 5.390 5.325 0.065 1
1 635 . 12 1 1 A 60 60 PHE C C 56 174.305 175.675 -1.370 1
1 636 . 12 1 1 A 60 60 PHE CA C 56 56.614 57.598 -0.984 1
1 637 . 12 1 1 A 60 60 PHE CB C 56 42.488 41.057 1.431 1
1 638 . 12 1 1 A 60 60 PHE N N 56 127.604 126.522 1.082 1
1 639 . 12 1 1 A 61 61 ILE H H 57 9.231 8.806 0.425 1
1 640 . 12 1 1 A 61 61 ILE HA H 57 4.483 4.860 -0.377 1
1 650 . 12 1 1 A 61 61 ILE C C 57 176.418 175.498 0.920 1
1 651 . 12 1 1 A 61 61 ILE CA C 57 60.800 59.424 1.376 1
1 652 . 12 1 1 A 61 61 ILE CB C 57 39.431 41.060 -1.629 1
1 656 . 12 1 1 A 61 61 ILE N N 57 121.606 117.583 4.023 1
1 657 . 12 1 1 A 62 62 GLY H H 58 9.118 9.850 -0.732 1
1 658 . 12 1 1 A 62 62 GLY HA2 H 58 4.092 3.940 0.152 1
1 659 . 12 1 1 A 62 62 GLY HA3 H 58 3.951 3.947 0.004 1
1 660 . 12 1 1 A 62 62 GLY C C 58 174.058 174.312 -0.254 1
1 661 . 12 1 1 A 62 62 GLY CA C 58 47.516 46.888 0.628 1
1 662 . 12 1 1 A 62 62 GLY N N 58 118.483 114.470 4.013 1
1 663 . 12 1 1 A 63 63 ASP H H 59 8.944 8.864 0.080 1
1 664 . 12 1 1 A 63 63 ASP HA H 59 4.762 4.712 0.050 1
1 667 . 12 1 1 A 63 63 ASP C C 59 175.220 175.130 0.090 1
1 668 . 12 1 1 A 63 63 ASP CA C 59 54.467 55.820 -1.353 1
1 669 . 12 1 1 A 63 63 ASP CB C 59 40.913 40.269 0.644 1
1 670 . 12 1 1 A 63 63 ASP N N 59 125.981 118.197 7.784 1
1 671 . 12 1 1 A 64 64 TYR H H 60 8.332 7.934 0.398 1
1 672 . 12 1 1 A 64 64 TYR HA H 60 4.600 4.897 -0.297 1
1 679 . 12 1 1 A 64 64 TYR C C 60 174.023 173.533 0.490 1
1 680 . 12 1 1 A 64 64 TYR CA C 60 57.761 56.008 1.753 1
1 681 . 12 1 1 A 64 64 TYR CB C 60 33.473 41.386 -7.913 1
1 682 . 12 1 1 A 64 64 TYR N N 60 122.443 118.830 3.613 1
1 683 . 12 1 1 A 65 65 HIS H H 61 8.625 7.919 0.706 1
1 684 . 12 1 1 A 65 65 HIS HA H 61 4.200 4.326 -0.126 1
1 689 . 12 1 1 A 65 65 HIS C C 61 171.910 174.669 -2.759 1
1 690 . 12 1 1 A 65 65 HIS CA C 61 53.347 54.662 -1.315 1
1 691 . 12 1 1 A 65 65 HIS CB C 61 28.830 30.328 -1.498 1
1 692 . 12 1 1 A 65 65 HIS N N 61 129.863 122.902 6.961 1
1 693 . 12 1 1 A 66 66 VAL H H 62 8.059 9.239 -1.180 1
1 694 . 12 1 1 A 66 66 VAL HA H 62 3.316 3.710 -0.394 1
1 702 . 12 1 1 A 66 66 VAL CA C 62 64.194 64.009 0.185 1
1 703 . 12 1 1 A 66 66 VAL CB C 62 32.770 32.429 0.341 1
1 705 . 12 1 1 A 66 66 VAL N N 62 129.219 121.613 7.606 1
1 706 . 12 1 1 A 67 67 GLY H H 63 6.327 7.599 -1.272 1
1 707 . 12 1 1 A 67 67 GLY HA2 H 63 4.503 4.152 0.351 1
1 708 . 12 1 1 A 67 67 GLY HA3 H 63 2.870 4.171 -1.301 1
1 709 . 12 1 1 A 67 67 GLY C C 63 172.156 174.535 -2.379 1
1 710 . 12 1 1 A 67 67 GLY CA C 63 43.551 45.783 -2.232 1
1 711 . 12 1 1 A 67 67 GLY N N 63 102.548 106.716 -4.168 1
1 712 . 12 1 1 A 68 68 GLY H H 64 9.095 8.213 0.882 1
1 713 . 12 1 1 A 68 68 GLY HA2 H 64 4.863 4.041 0.822 1
1 714 . 12 1 1 A 68 68 GLY HA3 H 64 3.821 4.043 -0.222 1
1 715 . 12 1 1 A 68 68 GLY C C 64 172.509 174.977 -2.468 1
1 716 . 12 1 1 A 68 68 GLY CA C 64 43.870 44.807 -0.937 1
1 717 . 12 1 1 A 68 68 GLY N N 64 110.080 110.033 0.047 1
1 718 . 12 1 1 A 69 69 CYS H H 65 8.398 9.234 -0.836 1
1 719 . 12 1 1 A 69 69 CYS HA H 65 3.846 4.231 -0.385 1
1 722 . 12 1 1 A 69 69 CYS C C 65 173.741 176.599 -2.858 1
1 723 . 12 1 1 A 69 69 CYS CA C 65 62.944 61.623 1.321 1
1 724 . 12 1 1 A 69 69 CYS CB C 65 45.022 27.245 17.777 1
1 725 . 12 1 1 A 69 69 CYS N N 65 118.292 119.757 -1.465 1
1 726 . 12 1 1 A 70 70 ASP H H 66 9.110 8.471 0.639 1
1 727 . 12 1 1 A 70 70 ASP HA H 66 5.745 4.393 1.352 1
1 730 . 12 1 1 A 70 70 ASP C C 66 178.777 178.464 0.313 1
1 731 . 12 1 1 A 70 70 ASP CA C 66 57.437 56.568 0.869 1
1 732 . 12 1 1 A 70 70 ASP CB C 66 40.016 39.718 0.298 1
1 733 . 12 1 1 A 70 70 ASP N N 66 123.178 120.058 3.120 1
1 734 . 12 1 1 A 71 71 ASP H H 67 7.301 8.264 -0.963 1
1 735 . 12 1 1 A 71 71 ASP HA H 67 4.362 4.307 0.055 1
1 738 . 12 1 1 A 71 71 ASP C C 67 177.474 178.513 -1.039 1
1 739 . 12 1 1 A 71 71 ASP CA C 67 57.381 57.847 -0.466 1
1 740 . 12 1 1 A 71 71 ASP CB C 67 41.503 41.836 -0.333 1
1 741 . 12 1 1 A 71 71 ASP N N 67 119.848 120.352 -0.504 1
1 742 . 12 1 1 A 72 72 LEU H H 68 7.805 8.112 -0.307 1
1 743 . 12 1 1 A 72 72 LEU HA H 68 3.822 4.065 -0.243 1
1 753 . 12 1 1 A 72 72 LEU C C 68 177.509 178.564 -1.055 1
1 754 . 12 1 1 A 72 72 LEU CA C 68 58.446 57.941 0.505 1
1 755 . 12 1 1 A 72 72 LEU CB C 68 42.524 41.656 0.868 1
1 757 . 12 1 1 A 72 72 LEU N N 68 121.720 117.918 3.802 1
1 758 . 12 1 1 A 73 73 TYR H H 69 8.229 8.392 -0.163 1
1 759 . 12 1 1 A 73 73 TYR HA H 69 3.772 4.314 -0.542 1
1 766 . 12 1 1 A 73 73 TYR C C 69 177.721 178.121 -0.400 1
1 767 . 12 1 1 A 73 73 TYR CA C 69 62.867 60.605 2.262 1
1 768 . 12 1 1 A 73 73 TYR CB C 69 38.215 38.089 0.126 1
1 769 . 12 1 1 A 73 73 TYR N N 69 116.501 120.598 -4.097 1
1 770 . 12 1 1 A 74 74 ALA H H 70 8.275 8.639 -0.364 1
1 771 . 12 1 1 A 74 74 ALA HA H 70 4.286 4.090 0.196 1
1 775 . 12 1 1 A 74 74 ALA C C 70 180.045 180.015 0.030 1
1 776 . 12 1 1 A 74 74 ALA CA C 70 55.701 55.269 0.432 1
1 777 . 12 1 1 A 74 74 ALA CB C 70 17.944 18.089 -0.145 1
1 778 . 12 1 1 A 74 74 ALA N N 70 122.883 121.671 1.212 1
1 779 . 12 1 1 A 75 75 LEU H H 71 7.558 8.420 -0.862 1
1 780 . 12 1 1 A 75 75 LEU HA H 71 3.975 3.855 0.120 1
1 790 . 12 1 1 A 75 75 LEU C C 71 179.024 179.045 -0.021 1
1 791 . 12 1 1 A 75 75 LEU CA C 71 57.994 58.196 -0.202 1
1 792 . 12 1 1 A 75 75 LEU CB C 71 42.836 41.591 1.245 1
1 793 . 12 1 1 A 75 75 LEU N N 71 117.133 118.341 -1.208 1
1 794 . 12 1 1 A 76 76 GLU H H 72 7.587 8.365 -0.778 1
1 795 . 12 1 1 A 76 76 GLU HA H 72 4.473 3.872 0.601 1
1 800 . 12 1 1 A 76 76 GLU C C 72 179.270 178.282 0.988 1
1 801 . 12 1 1 A 76 76 GLU CA C 72 58.296 59.795 -1.499 1
1 802 . 12 1 1 A 76 76 GLU CB C 72 28.457 29.207 -0.750 1
1 803 . 12 1 1 A 76 76 GLU N N 72 121.576 119.134 2.442 1
1 804 . 12 1 1 A 77 77 ASN H H 73 8.863 7.901 0.962 1
1 805 . 12 1 1 A 77 77 ASN HA H 73 4.511 4.504 0.007 1
1 810 . 12 1 1 A 77 77 ASN C C 73 176.664 177.102 -0.438 1
1 811 . 12 1 1 A 77 77 ASN CA C 73 55.944 55.455 0.489 1
1 812 . 12 1 1 A 77 77 ASN CB C 73 38.660 38.719 -0.059 1
1 814 . 12 1 1 A 77 77 ASN N N 73 120.232 117.743 2.489 1
1 816 . 12 1 1 A 78 78 LYS H H 74 7.617 7.642 -0.025 1
1 817 . 12 1 1 A 78 78 LYS HA H 74 4.426 4.316 0.110 1
1 826 . 12 1 1 A 78 78 LYS C C 74 176.312 176.516 -0.204 1
1 827 . 12 1 1 A 78 78 LYS CA C 74 55.863 56.278 -0.415 1
1 828 . 12 1 1 A 78 78 LYS CB C 74 33.482 33.086 0.396 1
1 829 . 12 1 1 A 78 78 LYS N N 74 115.597 116.999 -1.402 1
1 830 . 12 1 1 A 79 79 GLY H H 75 8.023 7.639 0.384 1
1 831 . 12 1 1 A 79 79 GLY HA2 H 75 4.060 3.991 0.069 1
1 832 . 12 1 1 A 79 79 GLY HA3 H 75 4.060 3.994 0.066 1
1 833 . 12 1 1 A 79 79 GLY C C 75 175.009 175.598 -0.589 1
1 834 . 12 1 1 A 79 79 GLY CA C 75 46.234 45.086 1.148 1
1 835 . 12 1 1 A 79 79 GLY N N 75 109.073 105.819 3.254 1
1 836 . 12 1 1 A 80 80 LYS H H 76 8.091 8.344 -0.253 1
1 837 . 12 1 1 A 80 80 LYS HA H 76 4.422 4.379 0.043 1
1 846 . 12 1 1 A 80 80 LYS C C 76 173.037 177.091 -4.054 1
1 847 . 12 1 1 A 80 80 LYS CA C 76 55.679 56.542 -0.863 1
1 848 . 12 1 1 A 80 80 LYS CB C 76 35.038 32.650 2.388 1
1 849 . 12 1 1 A 80 80 LYS N N 76 116.888 119.690 -2.802 1
1 850 . 12 1 1 A 81 81 LEU H H 77 7.411 7.673 -0.262 1
1 851 . 12 1 1 A 81 81 LEU HA H 77 4.003 3.913 0.090 1
1 861 . 12 1 1 A 81 81 LEU C C 77 177.333 177.621 -0.288 1
1 862 . 12 1 1 A 81 81 LEU CA C 77 57.512 58.031 -0.519 1
1 863 . 12 1 1 A 81 81 LEU CB C 77 40.676 41.090 -0.414 1
1 864 . 12 1 1 A 81 81 LEU N N 77 122.079 122.236 -0.157 1
1 865 . 12 1 1 A 82 82 ASP H H 78 8.613 8.173 0.440 1
1 866 . 12 1 1 A 82 82 ASP HA H 78 4.232 4.269 -0.037 1
1 869 . 12 1 1 A 82 82 ASP C C 78 178.354 178.007 0.347 1
1 870 . 12 1 1 A 82 82 ASP CA C 78 58.438 57.829 0.609 1
1 871 . 12 1 1 A 82 82 ASP CB C 78 39.890 41.926 -2.036 1
1 872 . 12 1 1 A 82 82 ASP N N 78 118.813 119.504 -0.691 1
1 873 . 12 1 1 A 83 83 SER H H 79 7.886 7.798 0.088 1
1 874 . 12 1 1 A 83 83 SER HA H 79 4.164 4.189 -0.025 1
1 877 . 12 1 1 A 83 83 SER C C 79 176.171 177.561 -1.390 1
1 878 . 12 1 1 A 83 83 SER CA C 79 61.285 61.394 -0.109 1
1 879 . 12 1 1 A 83 83 SER CB C 79 62.632 62.927 -0.295 1
1 880 . 12 1 1 A 83 83 SER N N 79 113.338 113.866 -0.528 1
1 881 . 12 1 1 A 84 84 LEU H H 80 7.354 8.079 -0.725 1
1 882 . 12 1 1 A 84 84 LEU HA H 80 4.152 3.933 0.219 1
1 892 . 12 1 1 A 84 84 LEU C C 80 173.671 178.831 -5.160 1
1 893 . 12 1 1 A 84 84 LEU CA C 80 56.841 58.218 -1.377 1
1 894 . 12 1 1 A 84 84 LEU CB C 80 42.682 42.224 0.458 1
1 897 . 12 1 1 A 84 84 LEU N N 80 121.453 121.855 -0.402 1
1 898 . 12 1 1 A 85 85 LEU H H 81 7.655 8.644 -0.989 1
1 899 . 12 1 1 A 85 85 LEU HA H 81 4.113 3.896 0.217 1
1 909 . 12 1 1 A 85 85 LEU C C 81 177.333 179.185 -1.852 1
1 910 . 12 1 1 A 85 85 LEU CA C 81 55.748 58.098 -2.350 1
1 911 . 12 1 1 A 85 85 LEU CB C 81 41.707 41.262 0.445 1
1 914 . 12 1 1 A 85 85 LEU N N 81 115.497 118.188 -2.691 1
1 915 . 12 1 1 A 86 86 GLN H H 82 7.414 8.183 -0.769 1
1 916 . 12 1 1 A 86 86 GLN HA H 82 4.177 4.042 0.135 1
1 923 . 12 1 1 A 86 86 GLN C C 82 175.537 177.626 -2.089 1
1 924 . 12 1 1 A 86 86 GLN CA C 82 56.986 58.856 -1.870 1
1 925 . 12 1 1 A 86 86 GLN CB C 82 29.187 28.607 0.580 1
1 928 . 12 1 1 A 86 86 GLN N N 82 117.020 118.356 -1.336 1
1 930 . 12 1 1 A 87 87 ASP H H 83 8.092 7.781 0.311 1
1 931 . 12 1 1 A 87 87 ASP HA H 83 4.672 4.530 0.142 1
1 934 . 12 1 1 A 87 87 ASP C C 83 177.263 178.644 -1.381 1
1 935 . 12 1 1 A 87 87 ASP CA C 83 54.394 56.860 -2.466 1
1 936 . 12 1 1 A 87 87 ASP CB C 83 40.722 41.008 -0.286 1
1 937 . 12 1 1 A 87 87 ASP N N 83 119.072 118.541 0.531 1
1 938 . 12 1 1 A 88 88 VAL H H 84 7.692 8.140 -0.448 1
1 939 . 12 1 1 A 88 88 VAL HA H 84 4.175 3.889 0.286 1
1 947 . 12 1 1 A 88 88 VAL C C 84 174.164 178.081 -3.917 1
1 948 . 12 1 1 A 88 88 VAL CA C 84 62.165 65.663 -3.498 1
1 949 . 12 1 1 A 88 88 VAL CB C 84 32.284 31.482 0.802 1
1 952 . 12 1 1 A 88 88 VAL N N 84 118.778 116.071 2.707 1
1 1 . 13 1 1 A 2 2 PRO C C -2 177.005 176.165 0.840 1
1 2 . 13 1 1 A 2 2 PRO CA C -2 63.481 62.996 0.485 1
1 3 . 13 1 1 A 2 2 PRO CB C -2 32.244 33.159 -0.915 1
1 4 . 13 1 1 A 3 3 GLY H H -1 8.665 8.120 0.545 1
1 5 . 13 1 1 A 3 3 GLY HA2 H -1 3.985 4.134 -0.149 1
1 6 . 13 1 1 A 3 3 GLY HA3 H -1 3.985 4.136 -0.151 1
1 7 . 13 1 1 A 3 3 GLY C C -1 173.706 172.469 1.237 1
1 8 . 13 1 1 A 3 3 GLY CA C -1 45.291 45.392 -0.101 1
1 9 . 13 1 1 A 3 3 GLY N N -1 109.788 107.297 2.491 1
1 10 . 13 1 1 A 4 4 SER H H 0 8.190 8.413 -0.223 1
1 11 . 13 1 1 A 4 4 SER HA H 0 4.477 4.013 0.464 1
1 14 . 13 1 1 A 4 4 SER C C 0 175.738 174.151 1.587 1
1 15 . 13 1 1 A 4 4 SER CA C 0 58.322 58.153 0.169 1
1 16 . 13 1 1 A 4 4 SER CB C 0 63.927 64.150 -0.223 1
1 17 . 13 1 1 A 4 4 SER N N 0 115.613 116.753 -1.140 1
1 18 . 13 1 1 A 5 5 MET H H 1 8.458 8.387 0.071 1
1 19 . 13 1 1 A 5 5 MET HA H 1 4.320 4.519 -0.199 1
1 27 . 13 1 1 A 5 5 MET C C 1 173.977 175.095 -1.118 1
1 28 . 13 1 1 A 5 5 MET CA C 1 56.011 57.388 -1.377 1
1 29 . 13 1 1 A 5 5 MET CB C 1 33.797 33.316 0.481 1
1 30 . 13 1 1 A 5 5 MET N N 1 122.334 123.042 -0.708 1
1 31 . 13 1 1 A 6 6 LYS H H 2 8.445 7.497 0.948 1
1 32 . 13 1 1 A 6 6 LYS HA H 2 4.566 4.785 -0.219 1
1 39 . 13 1 1 A 6 6 LYS C C 2 174.575 175.582 -1.007 1
1 40 . 13 1 1 A 6 6 LYS CA C 2 55.887 54.574 1.313 1
1 41 . 13 1 1 A 6 6 LYS CB C 2 33.848 34.486 -0.638 1
1 42 . 13 1 1 A 6 6 LYS N N 2 122.229 118.242 3.987 1
1 43 . 13 1 1 A 7 7 GLU H H 3 8.324 8.992 -0.668 1
1 44 . 13 1 1 A 7 7 GLU HA H 3 4.440 4.978 -0.538 1
1 49 . 13 1 1 A 7 7 GLU C C 3 175.491 174.153 1.338 1
1 50 . 13 1 1 A 7 7 GLU CA C 3 55.680 54.579 1.101 1
1 51 . 13 1 1 A 7 7 GLU CB C 3 31.513 33.545 -2.032 1
1 52 . 13 1 1 A 7 7 GLU N N 3 121.539 117.465 4.074 1
1 53 . 13 1 1 A 8 8 ILE H H 4 9.014 8.899 0.115 1
1 54 . 13 1 1 A 8 8 ILE HA H 4 5.025 5.102 -0.077 1
1 64 . 13 1 1 A 8 8 ILE C C 4 174.199 173.836 0.363 1
1 65 . 13 1 1 A 8 8 ILE CA C 4 60.927 59.594 1.333 1
1 66 . 13 1 1 A 8 8 ILE CB C 4 38.759 41.021 -2.262 1
1 69 . 13 1 1 A 8 8 ILE N N 4 127.255 123.530 3.725 1
1 70 . 13 1 1 A 9 9 ILE H H 5 9.104 9.089 0.015 1
1 71 . 13 1 1 A 9 9 ILE HA H 5 4.900 4.888 0.012 1
1 81 . 13 1 1 A 9 9 ILE C C 5 173.906 174.986 -1.080 1
1 82 . 13 1 1 A 9 9 ILE CA C 5 59.727 60.172 -0.445 1
1 83 . 13 1 1 A 9 9 ILE CB C 5 41.627 41.751 -0.124 1
1 87 . 13 1 1 A 9 9 ILE N N 5 128.326 128.999 -0.673 1
1 88 . 13 1 1 A 10 10 LEU H H 6 8.891 9.003 -0.112 1
1 89 . 13 1 1 A 10 10 LEU HA H 6 5.157 5.177 -0.020 1
1 96 . 13 1 1 A 10 10 LEU CA C 6 54.076 53.463 0.613 1
1 97 . 13 1 1 A 10 10 LEU CB C 6 44.892 44.031 0.861 1
1 100 . 13 1 1 A 10 10 LEU N N 6 125.779 126.538 -0.759 1
1 101 . 13 1 1 A 11 11 TYR H H 7 9.099 9.114 -0.015 1
1 102 . 13 1 1 A 11 11 TYR HA H 7 4.336 5.266 -0.930 1
1 109 . 13 1 1 A 11 11 TYR C C 7 177.041 175.385 1.656 1
1 110 . 13 1 1 A 11 11 TYR CA C 7 57.379 56.625 0.754 1
1 111 . 13 1 1 A 11 11 TYR CB C 7 40.345 40.098 0.247 1
1 112 . 13 1 1 A 12 12 THR H H 8 9.286 8.621 0.665 1
1 113 . 13 1 1 A 12 12 THR HA H 8 5.105 4.972 0.133 1
1 118 . 13 1 1 A 12 12 THR C C 8 172.005 173.156 -1.151 1
1 119 . 13 1 1 A 12 12 THR CA C 8 60.604 61.029 -0.425 1
1 120 . 13 1 1 A 12 12 THR CB C 8 73.108 70.740 2.368 1
1 122 . 13 1 1 A 12 12 THR N N 8 111.938 114.564 -2.626 1
1 123 . 13 1 1 A 13 13 ARG H H 9 7.513 8.520 -1.007 1
1 124 . 13 1 1 A 13 13 ARG HA H 9 4.826 4.821 0.005 1
1 131 . 13 1 1 A 13 13 ARG CA C 9 52.836 54.196 -1.360 1
1 132 . 13 1 1 A 13 13 ARG CB C 9 31.436 30.952 0.484 1
1 133 . 13 1 1 A 13 13 ARG N N 9 114.036 120.401 -6.365 1
1 134 . 13 1 1 A 14 14 PRO HA H 10 4.294 4.526 -0.232 1
1 141 . 13 1 1 A 14 14 PRO C C 10 176.477 177.238 -0.761 1
1 142 . 13 1 1 A 14 14 PRO CA C 10 63.464 64.297 -0.833 1
1 143 . 13 1 1 A 14 14 PRO CB C 10 32.615 31.714 0.901 1
1 144 . 13 1 1 A 15 15 ASN H H 11 8.987 8.434 0.553 1
1 145 . 13 1 1 A 15 15 ASN HA H 11 4.240 5.018 -0.778 1
1 150 . 13 1 1 A 15 15 ASN C C 11 176.266 174.844 1.422 1
1 151 . 13 1 1 A 15 15 ASN CA C 11 54.464 52.391 2.073 1
1 152 . 13 1 1 A 15 15 ASN CB C 11 37.500 38.987 -1.487 1
1 154 . 13 1 1 A 15 15 ASN N N 11 115.463 115.259 0.204 1
1 156 . 13 1 1 A 16 16 CYS H H 12 7.324 7.549 -0.225 1
1 157 . 13 1 1 A 16 16 CYS HA H 12 4.931 4.841 0.090 1
1 160 . 13 1 1 A 16 16 CYS CA C 12 56.277 55.894 0.383 1
1 161 . 13 1 1 A 16 16 CYS N N 12 123.174 120.520 2.654 1
1 162 . 13 1 1 A 17 17 PRO C C 13 178.555 177.431 1.124 1
1 163 . 13 1 1 A 17 17 PRO CA C 13 64.409 64.875 -0.466 1
1 164 . 13 1 1 A 17 17 PRO CB C 13 33.538 32.048 1.490 1
1 165 . 13 1 1 A 18 18 TYR H H 14 9.325 7.826 1.499 1
1 166 . 13 1 1 A 18 18 TYR HA H 14 4.404 4.277 0.127 1
1 173 . 13 1 1 A 18 18 TYR CA C 14 60.921 61.602 -0.681 1
1 174 . 13 1 1 A 18 18 TYR N N 14 127.149 118.445 8.704 1
1 175 . 13 1 1 A 19 19 CYS H H 15 9.687 7.893 1.794 1
1 176 . 13 1 1 A 19 19 CYS HA H 15 4.725 4.283 0.442 1
1 177 . 13 1 1 A 19 19 CYS C C 15 174.998 176.778 -1.780 1
1 178 . 13 1 1 A 19 19 CYS CA C 15 64.573 61.768 2.805 1
1 179 . 13 1 1 A 19 19 CYS CB C 15 29.227 26.298 2.929 1
1 180 . 13 1 1 A 19 19 CYS N N 15 127.652 118.301 9.351 1
1 181 . 13 1 1 A 20 20 LYS H H 16 7.706 7.819 -0.113 1
1 182 . 13 1 1 A 20 20 LYS HA H 16 3.946 4.026 -0.080 1
1 191 . 13 1 1 A 20 20 LYS C C 16 177.252 178.485 -1.233 1
1 192 . 13 1 1 A 20 20 LYS CA C 16 59.857 59.150 0.707 1
1 193 . 13 1 1 A 20 20 LYS CB C 16 32.542 32.013 0.529 1
1 194 . 13 1 1 A 20 20 LYS N N 16 119.200 119.814 -0.614 1
1 195 . 13 1 1 A 21 21 ARG H H 17 7.839 7.528 0.311 1
1 196 . 13 1 1 A 21 21 ARG HA H 17 4.176 3.995 0.181 1
1 203 . 13 1 1 A 21 21 ARG C C 17 179.858 178.951 0.907 1
1 204 . 13 1 1 A 21 21 ARG CA C 17 59.647 59.024 0.623 1
1 205 . 13 1 1 A 21 21 ARG CB C 17 30.340 29.822 0.518 1
1 206 . 13 1 1 A 21 21 ARG N N 17 117.964 119.504 -1.540 1
1 207 . 13 1 1 A 22 22 ALA H H 18 8.084 8.054 0.030 1
1 208 . 13 1 1 A 22 22 ALA HA H 18 4.168 4.084 0.084 1
1 212 . 13 1 1 A 22 22 ALA C C 18 177.322 179.501 -2.179 1
1 213 . 13 1 1 A 22 22 ALA CA C 18 55.859 55.356 0.503 1
1 214 . 13 1 1 A 22 22 ALA CB C 18 19.047 18.310 0.737 1
1 215 . 13 1 1 A 22 22 ALA N N 18 124.839 121.704 3.135 1
1 216 . 13 1 1 A 23 23 ARG H H 19 7.811 8.020 -0.209 1
1 217 . 13 1 1 A 23 23 ARG HA H 19 3.320 3.625 -0.305 1
1 224 . 13 1 1 A 23 23 ARG C C 19 177.217 178.003 -0.786 1
1 225 . 13 1 1 A 23 23 ARG CA C 19 60.780 58.732 2.048 1
1 226 . 13 1 1 A 23 23 ARG CB C 19 30.828 29.803 1.025 1
1 227 . 13 1 1 A 23 23 ARG N N 19 116.980 117.089 -0.109 1
1 228 . 13 1 1 A 24 24 ASP H H 20 8.710 7.947 0.763 1
1 229 . 13 1 1 A 24 24 ASP HA H 20 4.299 4.413 -0.114 1
1 232 . 13 1 1 A 24 24 ASP C C 20 178.625 178.351 0.274 1
1 233 . 13 1 1 A 24 24 ASP CA C 20 57.477 56.961 0.516 1
1 234 . 13 1 1 A 24 24 ASP CB C 20 40.551 40.989 -0.438 1
1 235 . 13 1 1 A 24 24 ASP N N 20 116.717 120.150 -3.433 1
1 236 . 13 1 1 A 25 25 LEU H H 21 7.114 7.810 -0.696 1
1 237 . 13 1 1 A 25 25 LEU HA H 21 4.131 4.047 0.084 1
1 246 . 13 1 1 A 25 25 LEU C C 21 177.580 178.560 -0.980 1
1 247 . 13 1 1 A 25 25 LEU CA C 21 57.857 58.223 -0.366 1
1 248 . 13 1 1 A 25 25 LEU CB C 21 41.654 41.462 0.192 1
1 251 . 13 1 1 A 25 25 LEU N N 21 119.808 120.835 -1.027 1
1 252 . 13 1 1 A 26 26 LEU H H 22 7.294 7.908 -0.614 1
1 253 . 13 1 1 A 26 26 LEU HA H 22 3.767 3.931 -0.164 1
1 262 . 13 1 1 A 26 26 LEU C C 22 178.696 178.372 0.324 1
1 263 . 13 1 1 A 26 26 LEU CA C 22 58.107 57.988 0.119 1
1 264 . 13 1 1 A 26 26 LEU CB C 22 40.750 41.349 -0.599 1
1 267 . 13 1 1 A 26 26 LEU N N 22 117.901 118.570 -0.669 1
1 268 . 13 1 1 A 27 27 ASP H H 23 9.446 8.225 1.221 1
1 269 . 13 1 1 A 27 27 ASP HA H 23 4.608 4.536 0.072 1
1 272 . 13 1 1 A 27 27 ASP C C 23 180.104 178.566 1.538 1
1 273 . 13 1 1 A 27 27 ASP CA C 23 57.406 57.025 0.381 1
1 274 . 13 1 1 A 27 27 ASP CB C 23 39.839 41.605 -1.766 1
1 275 . 13 1 1 A 27 27 ASP N N 23 119.946 118.884 1.062 1
1 276 . 13 1 1 A 28 28 LYS H H 24 7.915 7.906 0.009 1
1 277 . 13 1 1 A 28 28 LYS HA H 24 4.079 4.059 0.020 1
1 286 . 13 1 1 A 28 28 LYS C C 24 178.414 178.966 -0.552 1
1 287 . 13 1 1 A 28 28 LYS CA C 24 59.295 59.327 -0.032 1
1 288 . 13 1 1 A 28 28 LYS CB C 24 32.342 32.343 -0.001 1
1 289 . 13 1 1 A 28 28 LYS N N 24 122.484 119.534 2.950 1
1 290 . 13 1 1 A 29 29 LYS H H 25 7.763 7.562 0.201 1
1 291 . 13 1 1 A 29 29 LYS HA H 25 4.195 4.181 0.014 1
1 300 . 13 1 1 A 29 29 LYS C C 25 176.583 177.173 -0.590 1
1 301 . 13 1 1 A 29 29 LYS CA C 25 56.122 56.739 -0.617 1
1 302 . 13 1 1 A 29 29 LYS CB C 25 32.771 32.792 -0.021 1
1 303 . 13 1 1 A 29 29 LYS N N 25 116.683 115.974 0.709 1
1 304 . 13 1 1 A 30 30 GLY H H 26 7.961 8.211 -0.250 1
1 305 . 13 1 1 A 30 30 GLY HA2 H 26 4.005 3.990 0.015 1
1 306 . 13 1 1 A 30 30 GLY HA3 H 26 3.894 3.997 -0.103 1
1 307 . 13 1 1 A 30 30 GLY C C 26 174.223 173.932 0.291 1
1 308 . 13 1 1 A 30 30 GLY CA C 26 46.265 46.527 -0.262 1
1 309 . 13 1 1 A 30 30 GLY N N 26 108.209 107.132 1.077 1
1 310 . 13 1 1 A 31 31 VAL H H 27 7.440 7.338 0.102 1
1 311 . 13 1 1 A 31 31 VAL HA H 27 4.355 4.903 -0.548 1
1 319 . 13 1 1 A 31 31 VAL C C 27 174.294 174.239 0.055 1
1 320 . 13 1 1 A 31 31 VAL CA C 27 60.115 59.218 0.897 1
1 321 . 13 1 1 A 31 31 VAL CB C 27 33.737 36.254 -2.517 1
1 323 . 13 1 1 A 31 31 VAL N N 27 114.927 114.093 0.834 1
1 324 . 13 1 1 A 32 32 LYS H H 28 8.408 8.635 -0.227 1
1 325 . 13 1 1 A 32 32 LYS HA H 28 4.268 4.914 -0.646 1
1 334 . 13 1 1 A 32 32 LYS C C 28 175.385 175.402 -0.017 1
1 335 . 13 1 1 A 32 32 LYS CA C 28 55.441 55.062 0.379 1
1 336 . 13 1 1 A 32 32 LYS CB C 28 33.269 33.458 -0.189 1
1 337 . 13 1 1 A 32 32 LYS N N 28 124.540 120.836 3.704 1
1 338 . 13 1 1 A 33 33 TYR H H 29 7.451 8.792 -1.341 1
1 339 . 13 1 1 A 33 33 TYR HA H 29 5.149 5.675 -0.526 1
1 346 . 13 1 1 A 33 33 TYR C C 29 173.730 174.940 -1.210 1
1 347 . 13 1 1 A 33 33 TYR CA C 29 57.198 55.647 1.551 1
1 348 . 13 1 1 A 33 33 TYR CB C 29 41.499 41.449 0.050 1
1 353 . 13 1 1 A 33 33 TYR N N 29 117.090 123.766 -6.676 1
1 354 . 13 1 1 A 34 34 THR H H 30 9.106 8.918 0.188 1
1 355 . 13 1 1 A 34 34 THR HA H 30 4.368 4.838 -0.470 1
1 360 . 13 1 1 A 34 34 THR C C 30 171.336 172.840 -1.504 1
1 361 . 13 1 1 A 34 34 THR CA C 30 62.096 61.525 0.571 1
1 362 . 13 1 1 A 34 34 THR CB C 30 70.603 69.603 1.000 1
1 364 . 13 1 1 A 34 34 THR N N 30 119.343 117.129 2.214 1
1 365 . 13 1 1 A 35 35 ASP H H 31 8.772 9.028 -0.256 1
1 366 . 13 1 1 A 35 35 ASP HA H 31 5.283 5.034 0.249 1
1 369 . 13 1 1 A 35 35 ASP C C 31 175.245 174.821 0.424 1
1 370 . 13 1 1 A 35 35 ASP CA C 31 52.549 53.793 -1.244 1
1 371 . 13 1 1 A 35 35 ASP CB C 31 42.286 42.589 -0.303 1
1 372 . 13 1 1 A 35 35 ASP N N 31 129.184 127.668 1.516 1
1 373 . 13 1 1 A 36 36 ILE H H 32 9.283 8.906 0.377 1
1 374 . 13 1 1 A 36 36 ILE HA H 32 4.081 4.535 -0.454 1
1 384 . 13 1 1 A 36 36 ILE C C 32 175.854 175.161 0.693 1
1 385 . 13 1 1 A 36 36 ILE CA C 32 60.226 60.442 -0.216 1
1 386 . 13 1 1 A 36 36 ILE CB C 32 39.998 39.836 0.162 1
1 388 . 13 1 1 A 36 36 ILE N N 32 129.240 127.487 1.753 1
1 389 . 13 1 1 A 37 37 ASP H H 33 8.298 8.760 -0.462 1
1 390 . 13 1 1 A 37 37 ASP HA H 33 4.648 4.632 0.016 1
1 393 . 13 1 1 A 37 37 ASP CA C 33 54.101 54.684 -0.583 1
1 394 . 13 1 1 A 37 37 ASP CB C 33 40.536 41.311 -0.775 1
1 395 . 13 1 1 A 37 37 ASP N N 33 125.570 127.967 -2.397 1
1 396 . 13 1 1 A 38 38 ALA H H 34 9.840 8.732 1.108 1
1 397 . 13 1 1 A 38 38 ALA HA H 34 4.620 4.064 0.556 1
1 401 . 13 1 1 A 38 38 ALA C C 34 175.185 178.561 -3.376 1
1 402 . 13 1 1 A 38 38 ALA CA C 34 51.239 54.872 -3.633 1
1 403 . 13 1 1 A 38 38 ALA CB C 34 20.627 18.540 2.087 1
1 404 . 13 1 1 A 38 38 ALA N N 34 134.980 124.683 10.297 1
1 405 . 13 1 1 A 39 39 SER H H 35 8.679 7.594 1.085 1
1 406 . 13 1 1 A 39 39 SER HA H 35 4.189 4.269 -0.080 1
1 409 . 13 1 1 A 39 39 SER C C 35 175.713 176.336 -0.623 1
1 410 . 13 1 1 A 39 39 SER CA C 35 60.956 60.526 0.430 1
1 411 . 13 1 1 A 39 39 SER CB C 35 64.425 63.468 0.957 1
1 412 . 13 1 1 A 39 39 SER N N 35 111.865 115.439 -3.574 1
1 413 . 13 1 1 A 40 40 THR H H 36 8.438 8.726 -0.288 1
1 414 . 13 1 1 A 40 40 THR HA H 36 4.672 3.997 0.675 1
1 419 . 13 1 1 A 40 40 THR CA C 36 59.859 65.260 -5.401 1
1 421 . 13 1 1 A 40 40 THR N N 36 114.335 119.949 -5.614 1
1 422 . 13 1 1 A 41 41 SER C C 37 174.129 175.482 -1.353 1
1 423 . 13 1 1 A 41 41 SER CA C 37 60.964 61.713 -0.749 1
1 424 . 13 1 1 A 41 41 SER CB C 37 63.605 62.617 0.988 1
1 425 . 13 1 1 A 42 42 LEU H H 38 8.643 7.590 1.053 1
1 426 . 13 1 1 A 42 42 LEU HA H 38 4.679 4.413 0.266 1
1 436 . 13 1 1 A 42 42 LEU C C 38 176.347 177.918 -1.571 1
1 437 . 13 1 1 A 42 42 LEU CA C 38 54.842 55.945 -1.103 1
1 438 . 13 1 1 A 42 42 LEU CB C 38 41.117 43.747 -2.630 1
1 439 . 13 1 1 A 42 42 LEU N N 38 121.245 119.988 1.257 1
1 440 . 13 1 1 A 43 43 ARG H H 39 7.583 8.484 -0.901 1
1 441 . 13 1 1 A 43 43 ARG HA H 39 4.173 3.970 0.203 1
1 448 . 13 1 1 A 43 43 ARG C C 39 175.925 178.397 -2.472 1
1 449 . 13 1 1 A 43 43 ARG CA C 39 60.907 59.943 0.964 1
1 450 . 13 1 1 A 43 43 ARG N N 39 123.341 120.677 2.664 1
1 451 . 13 1 1 A 44 44 GLN H H 40 8.203 8.032 0.171 1
1 452 . 13 1 1 A 44 44 GLN HA H 40 3.974 3.981 -0.007 1
1 459 . 13 1 1 A 44 44 GLN C C 40 175.608 178.325 -2.717 1
1 460 . 13 1 1 A 44 44 GLN CA C 40 58.622 59.234 -0.612 1
1 461 . 13 1 1 A 44 44 GLN CB C 40 28.591 28.346 0.245 1
1 464 . 13 1 1 A 44 44 GLN N N 40 114.940 118.379 -3.439 1
1 466 . 13 1 1 A 45 45 GLU H H 41 7.616 7.969 -0.353 1
1 467 . 13 1 1 A 45 45 GLU HA H 41 3.947 4.057 -0.110 1
1 472 . 13 1 1 A 45 45 GLU CA C 41 59.009 59.140 -0.131 1
1 473 . 13 1 1 A 45 45 GLU CB C 41 30.110 29.805 0.305 1
1 474 . 13 1 1 A 45 45 GLU N N 41 120.916 119.809 1.107 1
1 475 . 13 1 1 A 46 46 MET H H 42 7.474 8.198 -0.724 1
1 476 . 13 1 1 A 46 46 MET HA H 42 4.778 4.162 0.616 1
1 483 . 13 1 1 A 46 46 MET C C 42 176.347 178.301 -1.954 1
1 484 . 13 1 1 A 46 46 MET CA C 42 59.567 58.204 1.363 1
1 485 . 13 1 1 A 46 46 MET CB C 42 30.294 32.841 -2.547 1
1 487 . 13 1 1 A 46 46 MET N N 42 118.736 119.507 -0.771 1
1 488 . 13 1 1 A 47 47 VAL H H 43 8.006 8.620 -0.614 1
1 489 . 13 1 1 A 47 47 VAL HA H 43 3.624 3.462 0.162 1
1 497 . 13 1 1 A 47 47 VAL C C 43 176.911 177.365 -0.454 1
1 498 . 13 1 1 A 47 47 VAL CA C 43 65.362 65.078 0.284 1
1 499 . 13 1 1 A 47 47 VAL CB C 43 31.859 30.474 1.385 1
1 501 . 13 1 1 A 47 47 VAL N N 43 116.804 118.812 -2.008 1
1 502 . 13 1 1 A 48 48 GLN H H 44 7.935 7.627 0.308 1
1 503 . 13 1 1 A 48 48 GLN HA H 44 3.972 3.964 0.008 1
1 510 . 13 1 1 A 48 48 GLN C C 44 178.636 178.677 -0.041 1
1 511 . 13 1 1 A 48 48 GLN CA C 44 58.472 59.154 -0.682 1
1 512 . 13 1 1 A 48 48 GLN CB C 44 30.542 28.241 2.301 1
1 513 . 13 1 1 A 48 48 GLN N N 44 117.704 120.439 -2.735 1
1 515 . 13 1 1 A 49 49 ARG H H 45 8.100 7.970 0.130 1
1 516 . 13 1 1 A 49 49 ARG HA H 45 3.906 4.117 -0.211 1
1 521 . 13 1 1 A 49 49 ARG CA C 45 59.397 57.985 1.412 1
1 522 . 13 1 1 A 49 49 ARG CB C 45 29.993 30.343 -0.350 1
1 523 . 13 1 1 A 49 49 ARG N N 45 120.984 118.658 2.326 1
1 524 . 13 1 1 A 50 50 ALA H H 46 8.279 7.489 0.790 1
1 525 . 13 1 1 A 50 50 ALA HA H 46 3.782 4.086 -0.304 1
1 529 . 13 1 1 A 50 50 ALA C C 46 178.073 178.752 -0.679 1
1 530 . 13 1 1 A 50 50 ALA CA C 46 51.408 54.495 -3.087 1
1 531 . 13 1 1 A 50 50 ALA CB C 46 18.883 18.346 0.537 1
1 532 . 13 1 1 A 50 50 ALA N N 46 118.254 121.872 -3.618 1
1 533 . 13 1 1 A 51 51 ASN H H 47 7.706 7.889 -0.183 1
1 534 . 13 1 1 A 51 51 ASN HA H 47 4.420 5.053 -0.633 1
1 539 . 13 1 1 A 51 51 ASN C C 47 174.974 175.839 -0.865 1
1 540 . 13 1 1 A 51 51 ASN CA C 47 54.303 52.856 1.447 1
1 541 . 13 1 1 A 51 51 ASN CB C 47 37.804 40.584 -2.780 1
1 543 . 13 1 1 A 51 51 ASN N N 47 115.277 112.003 3.274 1
1 545 . 13 1 1 A 52 52 GLY H H 48 8.702 7.862 0.840 1
1 546 . 13 1 1 A 52 52 GLY HA2 H 48 4.267 4.017 0.250 1
1 547 . 13 1 1 A 52 52 GLY HA3 H 48 3.379 4.027 -0.648 1
1 548 . 13 1 1 A 52 52 GLY CA C 48 45.176 45.475 -0.299 1
1 549 . 13 1 1 A 52 52 GLY N N 48 104.035 107.629 -3.594 1
1 550 . 13 1 1 A 53 53 ARG H H 49 7.116 8.181 -1.065 1
1 551 . 13 1 1 A 53 53 ARG HA H 49 4.144 4.836 -0.692 1
1 558 . 13 1 1 A 53 53 ARG C C 49 176.101 174.287 1.814 1
1 559 . 13 1 1 A 53 53 ARG CA C 49 57.285 54.455 2.830 1
1 560 . 13 1 1 A 53 53 ARG N N 49 121.384 121.577 -0.193 1
1 561 . 13 1 1 A 54 54 ASN H H 50 7.958 8.659 -0.701 1
1 562 . 13 1 1 A 54 54 ASN HA H 50 4.589 4.591 -0.002 1
1 567 . 13 1 1 A 54 54 ASN CA C 50 51.568 53.520 -1.952 1
1 568 . 13 1 1 A 54 54 ASN CB C 50 38.018 38.816 -0.798 1
1 570 . 13 1 1 A 54 54 ASN N N 50 116.546 121.708 -5.162 1
1 572 . 13 1 1 A 55 55 THR H H 51 6.818 8.552 -1.734 1
1 573 . 13 1 1 A 55 55 THR HA H 51 4.283 4.979 -0.696 1
1 578 . 13 1 1 A 55 55 THR C C 51 172.509 173.495 -0.986 1
1 579 . 13 1 1 A 55 55 THR CA C 51 59.829 60.687 -0.858 1
1 580 . 13 1 1 A 55 55 THR CB C 51 70.400 70.708 -0.308 1
1 582 . 13 1 1 A 55 55 THR N N 51 108.070 111.557 -3.487 1
1 583 . 13 1 1 A 56 56 PHE H H 52 8.444 8.797 -0.353 1
1 584 . 13 1 1 A 56 56 PHE HA H 52 4.730 4.594 0.136 1
1 592 . 13 1 1 A 56 56 PHE CA C 52 55.529 56.053 -0.524 1
1 593 . 13 1 1 A 56 56 PHE N N 52 116.926 120.599 -3.673 1
1 594 . 13 1 1 A 57 57 PRO CA C 53 62.827 62.860 -0.033 1
1 595 . 13 1 1 A 57 57 PRO CB C 53 35.258 33.196 2.062 1
1 596 . 13 1 1 A 58 58 GLN H H 54 8.070 8.487 -0.417 1
1 597 . 13 1 1 A 58 58 GLN HA H 54 4.853 4.794 0.059 1
1 604 . 13 1 1 A 58 58 GLN C C 54 175.291 173.144 2.147 1
1 605 . 13 1 1 A 58 58 GLN CA C 54 55.071 54.994 0.077 1
1 606 . 13 1 1 A 58 58 GLN CB C 54 32.237 30.478 1.759 1
1 607 . 13 1 1 A 58 58 GLN N N 54 113.697 116.203 -2.506 1
1 609 . 13 1 1 A 59 59 ILE H H 55 8.753 8.729 0.024 1
1 610 . 13 1 1 A 59 59 ILE HA H 55 5.089 4.706 0.383 1
1 620 . 13 1 1 A 59 59 ILE C C 55 174.164 175.394 -1.230 1
1 621 . 13 1 1 A 59 59 ILE CA C 55 61.194 60.464 0.730 1
1 622 . 13 1 1 A 59 59 ILE CB C 55 40.657 38.895 1.762 1
1 625 . 13 1 1 A 59 59 ILE N N 55 122.202 121.221 0.981 1
1 626 . 13 1 1 A 60 60 PHE H H 56 9.564 9.505 0.059 1
1 627 . 13 1 1 A 60 60 PHE HA H 56 5.390 5.087 0.303 1
1 635 . 13 1 1 A 60 60 PHE C C 56 174.305 175.649 -1.344 1
1 636 . 13 1 1 A 60 60 PHE CA C 56 56.614 57.487 -0.873 1
1 637 . 13 1 1 A 60 60 PHE CB C 56 42.488 41.253 1.235 1
1 638 . 13 1 1 A 60 60 PHE N N 56 127.604 126.646 0.958 1
1 639 . 13 1 1 A 61 61 ILE H H 57 9.231 8.693 0.538 1
1 640 . 13 1 1 A 61 61 ILE HA H 57 4.483 4.834 -0.351 1
1 650 . 13 1 1 A 61 61 ILE C C 57 176.418 175.509 0.909 1
1 651 . 13 1 1 A 61 61 ILE CA C 57 60.800 59.329 1.471 1
1 652 . 13 1 1 A 61 61 ILE CB C 57 39.431 41.130 -1.699 1
1 656 . 13 1 1 A 61 61 ILE N N 57 121.606 117.485 4.121 1
1 657 . 13 1 1 A 62 62 GLY H H 58 9.118 9.671 -0.553 1
1 658 . 13 1 1 A 62 62 GLY HA2 H 58 4.092 3.919 0.173 1
1 659 . 13 1 1 A 62 62 GLY HA3 H 58 3.951 3.932 0.019 1
1 660 . 13 1 1 A 62 62 GLY C C 58 174.058 174.106 -0.048 1
1 661 . 13 1 1 A 62 62 GLY CA C 58 47.516 46.934 0.582 1
1 662 . 13 1 1 A 62 62 GLY N N 58 118.483 114.399 4.084 1
1 663 . 13 1 1 A 63 63 ASP H H 59 8.944 8.696 0.248 1
1 664 . 13 1 1 A 63 63 ASP HA H 59 4.762 4.316 0.446 1
1 667 . 13 1 1 A 63 63 ASP C C 59 175.220 174.395 0.825 1
1 668 . 13 1 1 A 63 63 ASP CA C 59 54.467 55.776 -1.309 1
1 669 . 13 1 1 A 63 63 ASP CB C 59 40.913 39.068 1.845 1
1 670 . 13 1 1 A 63 63 ASP N N 59 125.981 112.132 13.849 1
1 671 . 13 1 1 A 64 64 TYR H H 60 8.332 8.016 0.316 1
1 672 . 13 1 1 A 64 64 TYR HA H 60 4.600 5.037 -0.437 1
1 679 . 13 1 1 A 64 64 TYR C C 60 174.023 174.083 -0.060 1
1 680 . 13 1 1 A 64 64 TYR CA C 60 57.761 57.048 0.713 1
1 681 . 13 1 1 A 64 64 TYR CB C 60 33.473 40.792 -7.319 1
1 682 . 13 1 1 A 64 64 TYR N N 60 122.443 119.063 3.380 1
1 683 . 13 1 1 A 65 65 HIS H H 61 8.625 8.172 0.453 1
1 684 . 13 1 1 A 65 65 HIS HA H 61 4.200 3.782 0.418 1
1 689 . 13 1 1 A 65 65 HIS C C 61 171.910 174.449 -2.539 1
1 690 . 13 1 1 A 65 65 HIS CA C 61 53.347 55.131 -1.784 1
1 691 . 13 1 1 A 65 65 HIS CB C 61 28.830 29.779 -0.949 1
1 692 . 13 1 1 A 65 65 HIS N N 61 129.863 122.371 7.492 1
1 693 . 13 1 1 A 66 66 VAL H H 62 8.059 9.063 -1.004 1
1 694 . 13 1 1 A 66 66 VAL HA H 62 3.316 3.867 -0.551 1
1 702 . 13 1 1 A 66 66 VAL CA C 62 64.194 63.669 0.525 1
1 703 . 13 1 1 A 66 66 VAL CB C 62 32.770 32.591 0.179 1
1 705 . 13 1 1 A 66 66 VAL N N 62 129.219 119.919 9.300 1
1 706 . 13 1 1 A 67 67 GLY H H 63 6.327 7.541 -1.214 1
1 707 . 13 1 1 A 67 67 GLY HA2 H 63 4.503 4.252 0.251 1
1 708 . 13 1 1 A 67 67 GLY HA3 H 63 2.870 4.264 -1.394 1
1 709 . 13 1 1 A 67 67 GLY C C 63 172.156 173.895 -1.739 1
1 710 . 13 1 1 A 67 67 GLY CA C 63 43.551 45.879 -2.328 1
1 711 . 13 1 1 A 67 67 GLY N N 63 102.548 106.728 -4.180 1
1 712 . 13 1 1 A 68 68 GLY H H 64 9.095 8.328 0.767 1
1 713 . 13 1 1 A 68 68 GLY HA2 H 64 4.863 4.220 0.643 1
1 714 . 13 1 1 A 68 68 GLY HA3 H 64 3.821 4.221 -0.400 1
1 715 . 13 1 1 A 68 68 GLY C C 64 172.509 175.005 -2.496 1
1 716 . 13 1 1 A 68 68 GLY CA C 64 43.870 44.219 -0.349 1
1 717 . 13 1 1 A 68 68 GLY N N 64 110.080 109.202 0.878 1
1 718 . 13 1 1 A 69 69 CYS H H 65 8.398 9.059 -0.661 1
1 719 . 13 1 1 A 69 69 CYS HA H 65 3.846 4.161 -0.315 1
1 722 . 13 1 1 A 69 69 CYS C C 65 173.741 176.920 -3.179 1
1 723 . 13 1 1 A 69 69 CYS CA C 65 62.944 62.949 -0.005 1
1 724 . 13 1 1 A 69 69 CYS CB C 65 45.022 27.793 17.229 1
1 725 . 13 1 1 A 69 69 CYS N N 65 118.292 118.903 -0.611 1
1 726 . 13 1 1 A 70 70 ASP H H 66 9.110 8.533 0.577 1
1 727 . 13 1 1 A 70 70 ASP HA H 66 5.745 4.338 1.407 1
1 730 . 13 1 1 A 70 70 ASP C C 66 178.777 177.980 0.797 1
1 731 . 13 1 1 A 70 70 ASP CA C 66 57.437 56.765 0.672 1
1 732 . 13 1 1 A 70 70 ASP CB C 66 40.016 39.663 0.353 1
1 733 . 13 1 1 A 70 70 ASP N N 66 123.178 120.628 2.550 1
1 734 . 13 1 1 A 71 71 ASP H H 67 7.301 8.127 -0.826 1
1 735 . 13 1 1 A 71 71 ASP HA H 67 4.362 4.309 0.053 1
1 738 . 13 1 1 A 71 71 ASP C C 67 177.474 178.879 -1.405 1
1 739 . 13 1 1 A 71 71 ASP CA C 67 57.381 57.492 -0.111 1
1 740 . 13 1 1 A 71 71 ASP CB C 67 41.503 40.595 0.908 1
1 741 . 13 1 1 A 71 71 ASP N N 67 119.848 120.766 -0.918 1
1 742 . 13 1 1 A 72 72 LEU H H 68 7.805 7.612 0.193 1
1 743 . 13 1 1 A 72 72 LEU HA H 68 3.822 4.039 -0.217 1
1 753 . 13 1 1 A 72 72 LEU C C 68 177.509 178.593 -1.084 1
1 754 . 13 1 1 A 72 72 LEU CA C 68 58.446 58.000 0.446 1
1 755 . 13 1 1 A 72 72 LEU CB C 68 42.524 41.394 1.130 1
1 757 . 13 1 1 A 72 72 LEU N N 68 121.720 118.132 3.588 1
1 758 . 13 1 1 A 73 73 TYR H H 69 8.229 7.826 0.403 1
1 759 . 13 1 1 A 73 73 TYR HA H 69 3.772 4.404 -0.632 1
1 766 . 13 1 1 A 73 73 TYR C C 69 177.721 178.315 -0.594 1
1 767 . 13 1 1 A 73 73 TYR CA C 69 62.867 60.107 2.760 1
1 768 . 13 1 1 A 73 73 TYR CB C 69 38.215 37.900 0.315 1
1 769 . 13 1 1 A 73 73 TYR N N 69 116.501 119.631 -3.130 1
1 770 . 13 1 1 A 74 74 ALA H H 70 8.275 8.724 -0.449 1
1 771 . 13 1 1 A 74 74 ALA HA H 70 4.286 4.088 0.198 1
1 775 . 13 1 1 A 74 74 ALA C C 70 180.045 179.937 0.108 1
1 776 . 13 1 1 A 74 74 ALA CA C 70 55.701 55.239 0.462 1
1 777 . 13 1 1 A 74 74 ALA CB C 70 17.944 18.132 -0.188 1
1 778 . 13 1 1 A 74 74 ALA N N 70 122.883 121.988 0.895 1
1 779 . 13 1 1 A 75 75 LEU H H 71 7.558 8.283 -0.725 1
1 780 . 13 1 1 A 75 75 LEU HA H 71 3.975 3.891 0.084 1
1 790 . 13 1 1 A 75 75 LEU C C 71 179.024 179.128 -0.104 1
1 791 . 13 1 1 A 75 75 LEU CA C 71 57.994 58.110 -0.116 1
1 792 . 13 1 1 A 75 75 LEU CB C 71 42.836 41.218 1.618 1
1 793 . 13 1 1 A 75 75 LEU N N 71 117.133 118.091 -0.958 1
1 794 . 13 1 1 A 76 76 GLU H H 72 7.587 8.480 -0.893 1
1 795 . 13 1 1 A 76 76 GLU HA H 72 4.473 3.884 0.589 1
1 800 . 13 1 1 A 76 76 GLU C C 72 179.270 178.383 0.887 1
1 801 . 13 1 1 A 76 76 GLU CA C 72 58.296 59.718 -1.422 1
1 802 . 13 1 1 A 76 76 GLU CB C 72 28.457 29.224 -0.767 1
1 803 . 13 1 1 A 76 76 GLU N N 72 121.576 119.539 2.037 1
1 804 . 13 1 1 A 77 77 ASN H H 73 8.863 7.830 1.033 1
1 805 . 13 1 1 A 77 77 ASN HA H 73 4.511 4.503 0.008 1
1 810 . 13 1 1 A 77 77 ASN C C 73 176.664 177.537 -0.873 1
1 811 . 13 1 1 A 77 77 ASN CA C 73 55.944 55.447 0.497 1
1 812 . 13 1 1 A 77 77 ASN CB C 73 38.660 38.560 0.100 1
1 814 . 13 1 1 A 77 77 ASN N N 73 120.232 117.754 2.478 1
1 816 . 13 1 1 A 78 78 LYS H H 74 7.617 7.657 -0.040 1
1 817 . 13 1 1 A 78 78 LYS HA H 74 4.426 4.292 0.134 1
1 826 . 13 1 1 A 78 78 LYS C C 74 176.312 176.502 -0.190 1
1 827 . 13 1 1 A 78 78 LYS CA C 74 55.863 56.236 -0.373 1
1 828 . 13 1 1 A 78 78 LYS CB C 74 33.482 32.928 0.554 1
1 829 . 13 1 1 A 78 78 LYS N N 74 115.597 116.469 -0.872 1
1 830 . 13 1 1 A 79 79 GLY H H 75 8.023 7.599 0.424 1
1 831 . 13 1 1 A 79 79 GLY HA2 H 75 4.060 4.016 0.044 1
1 832 . 13 1 1 A 79 79 GLY HA3 H 75 4.060 4.021 0.039 1
1 833 . 13 1 1 A 79 79 GLY C C 75 175.009 175.652 -0.643 1
1 834 . 13 1 1 A 79 79 GLY CA C 75 46.234 45.114 1.120 1
1 835 . 13 1 1 A 79 79 GLY N N 75 109.073 105.993 3.080 1
1 836 . 13 1 1 A 80 80 LYS H H 76 8.091 8.371 -0.280 1
1 837 . 13 1 1 A 80 80 LYS HA H 76 4.422 4.385 0.037 1
1 846 . 13 1 1 A 80 80 LYS C C 76 173.037 177.112 -4.075 1
1 847 . 13 1 1 A 80 80 LYS CA C 76 55.679 56.597 -0.918 1
1 848 . 13 1 1 A 80 80 LYS CB C 76 35.038 32.761 2.277 1
1 849 . 13 1 1 A 80 80 LYS N N 76 116.888 119.754 -2.866 1
1 850 . 13 1 1 A 81 81 LEU H H 77 7.411 7.661 -0.250 1
1 851 . 13 1 1 A 81 81 LEU HA H 77 4.003 3.936 0.067 1
1 861 . 13 1 1 A 81 81 LEU C C 77 177.333 177.852 -0.519 1
1 862 . 13 1 1 A 81 81 LEU CA C 77 57.512 57.921 -0.409 1
1 863 . 13 1 1 A 81 81 LEU CB C 77 40.676 41.201 -0.525 1
1 864 . 13 1 1 A 81 81 LEU N N 77 122.079 122.033 0.046 1
1 865 . 13 1 1 A 82 82 ASP H H 78 8.613 8.462 0.151 1
1 866 . 13 1 1 A 82 82 ASP HA H 78 4.232 4.274 -0.042 1
1 869 . 13 1 1 A 82 82 ASP C C 78 178.354 178.575 -0.221 1
1 870 . 13 1 1 A 82 82 ASP CA C 78 58.438 57.783 0.655 1
1 871 . 13 1 1 A 82 82 ASP CB C 78 39.890 40.559 -0.669 1
1 872 . 13 1 1 A 82 82 ASP N N 78 118.813 118.934 -0.121 1
1 873 . 13 1 1 A 83 83 SER H H 79 7.886 7.793 0.093 1
1 874 . 13 1 1 A 83 83 SER HA H 79 4.164 4.178 -0.014 1
1 877 . 13 1 1 A 83 83 SER C C 79 176.171 177.519 -1.348 1
1 878 . 13 1 1 A 83 83 SER CA C 79 61.285 61.422 -0.137 1
1 879 . 13 1 1 A 83 83 SER CB C 79 62.632 62.992 -0.360 1
1 880 . 13 1 1 A 83 83 SER N N 79 113.338 113.980 -0.642 1
1 881 . 13 1 1 A 84 84 LEU H H 80 7.354 8.086 -0.732 1
1 882 . 13 1 1 A 84 84 LEU HA H 80 4.152 3.973 0.179 1
1 892 . 13 1 1 A 84 84 LEU C C 80 173.671 178.216 -4.545 1
1 893 . 13 1 1 A 84 84 LEU CA C 80 56.841 58.217 -1.376 1
1 894 . 13 1 1 A 84 84 LEU CB C 80 42.682 41.966 0.716 1
1 897 . 13 1 1 A 84 84 LEU N N 80 121.453 121.788 -0.335 1
1 898 . 13 1 1 A 85 85 LEU H H 81 7.655 8.732 -1.077 1
1 899 . 13 1 1 A 85 85 LEU HA H 81 4.113 3.937 0.176 1
1 909 . 13 1 1 A 85 85 LEU C C 81 177.333 178.720 -1.387 1
1 910 . 13 1 1 A 85 85 LEU CA C 81 55.748 58.045 -2.297 1
1 911 . 13 1 1 A 85 85 LEU CB C 81 41.707 40.699 1.008 1
1 914 . 13 1 1 A 85 85 LEU N N 81 115.497 117.771 -2.274 1
1 915 . 13 1 1 A 86 86 GLN H H 82 7.414 8.249 -0.835 1
1 916 . 13 1 1 A 86 86 GLN HA H 82 4.177 4.031 0.146 1
1 923 . 13 1 1 A 86 86 GLN C C 82 175.537 177.669 -2.132 1
1 924 . 13 1 1 A 86 86 GLN CA C 82 56.986 58.821 -1.835 1
1 925 . 13 1 1 A 86 86 GLN CB C 82 29.187 28.360 0.827 1
1 928 . 13 1 1 A 86 86 GLN N N 82 117.020 119.188 -2.168 1
1 930 . 13 1 1 A 87 87 ASP H H 83 8.092 8.017 0.075 1
1 931 . 13 1 1 A 87 87 ASP HA H 83 4.672 4.622 0.050 1
1 934 . 13 1 1 A 87 87 ASP C C 83 177.263 178.626 -1.363 1
1 935 . 13 1 1 A 87 87 ASP CA C 83 54.394 56.682 -2.288 1
1 936 . 13 1 1 A 87 87 ASP CB C 83 40.722 41.103 -0.381 1
1 937 . 13 1 1 A 87 87 ASP N N 83 119.072 118.530 0.542 1
1 938 . 13 1 1 A 88 88 VAL H H 84 7.692 7.974 -0.282 1
1 939 . 13 1 1 A 88 88 VAL HA H 84 4.175 3.901 0.274 1
1 947 . 13 1 1 A 88 88 VAL C C 84 174.164 178.018 -3.854 1
1 948 . 13 1 1 A 88 88 VAL CA C 84 62.165 65.712 -3.547 1
1 949 . 13 1 1 A 88 88 VAL CB C 84 32.284 31.425 0.859 1
1 952 . 13 1 1 A 88 88 VAL N N 84 118.778 116.036 2.742 1
1 1 . 14 1 1 A 2 2 PRO C C -2 177.005 176.021 0.984 1
1 2 . 14 1 1 A 2 2 PRO CA C -2 63.481 62.992 0.489 1
1 3 . 14 1 1 A 2 2 PRO CB C -2 32.244 30.265 1.979 1
1 4 . 14 1 1 A 3 3 GLY H H -1 8.665 7.610 1.055 1
1 5 . 14 1 1 A 3 3 GLY HA2 H -1 3.985 4.104 -0.119 1
1 6 . 14 1 1 A 3 3 GLY HA3 H -1 3.985 4.109 -0.124 1
1 7 . 14 1 1 A 3 3 GLY C C -1 173.706 171.626 2.080 1
1 8 . 14 1 1 A 3 3 GLY CA C -1 45.291 45.284 0.007 1
1 9 . 14 1 1 A 3 3 GLY N N -1 109.788 111.404 -1.616 1
1 10 . 14 1 1 A 4 4 SER H H 0 8.190 8.733 -0.543 1
1 11 . 14 1 1 A 4 4 SER HA H 0 4.477 5.294 -0.817 1
1 14 . 14 1 1 A 4 4 SER C C 0 175.738 173.335 2.403 1
1 15 . 14 1 1 A 4 4 SER CA C 0 58.322 56.912 1.410 1
1 16 . 14 1 1 A 4 4 SER CB C 0 63.927 66.131 -2.204 1
1 17 . 14 1 1 A 4 4 SER N N 0 115.613 115.591 0.022 1
1 18 . 14 1 1 A 5 5 MET H H 1 8.458 8.520 -0.062 1
1 19 . 14 1 1 A 5 5 MET HA H 1 4.320 4.643 -0.323 1
1 27 . 14 1 1 A 5 5 MET C C 1 173.977 175.692 -1.715 1
1 28 . 14 1 1 A 5 5 MET CA C 1 56.011 54.227 1.784 1
1 29 . 14 1 1 A 5 5 MET CB C 1 33.797 31.175 2.622 1
1 30 . 14 1 1 A 5 5 MET N N 1 122.334 121.127 1.207 1
1 31 . 14 1 1 A 6 6 LYS H H 2 8.445 8.568 -0.123 1
1 32 . 14 1 1 A 6 6 LYS HA H 2 4.566 4.983 -0.417 1
1 39 . 14 1 1 A 6 6 LYS C C 2 174.575 175.791 -1.216 1
1 40 . 14 1 1 A 6 6 LYS CA C 2 55.887 54.455 1.432 1
1 41 . 14 1 1 A 6 6 LYS CB C 2 33.848 35.303 -1.455 1
1 42 . 14 1 1 A 6 6 LYS N N 2 122.229 125.472 -3.243 1
1 43 . 14 1 1 A 7 7 GLU H H 3 8.324 9.137 -0.813 1
1 44 . 14 1 1 A 7 7 GLU HA H 3 4.440 5.100 -0.660 1
1 49 . 14 1 1 A 7 7 GLU C C 3 175.491 173.881 1.610 1
1 50 . 14 1 1 A 7 7 GLU CA C 3 55.680 54.504 1.176 1
1 51 . 14 1 1 A 7 7 GLU CB C 3 31.513 33.548 -2.035 1
1 52 . 14 1 1 A 7 7 GLU N N 3 121.539 119.342 2.197 1
1 53 . 14 1 1 A 8 8 ILE H H 4 9.014 9.005 0.009 1
1 54 . 14 1 1 A 8 8 ILE HA H 4 5.025 5.123 -0.098 1
1 64 . 14 1 1 A 8 8 ILE C C 4 174.199 173.728 0.471 1
1 65 . 14 1 1 A 8 8 ILE CA C 4 60.927 59.701 1.226 1
1 66 . 14 1 1 A 8 8 ILE CB C 4 38.759 41.172 -2.413 1
1 69 . 14 1 1 A 8 8 ILE N N 4 127.255 123.859 3.396 1
1 70 . 14 1 1 A 9 9 ILE H H 5 9.104 9.307 -0.203 1
1 71 . 14 1 1 A 9 9 ILE HA H 5 4.900 4.728 0.172 1
1 81 . 14 1 1 A 9 9 ILE C C 5 173.906 175.029 -1.123 1
1 82 . 14 1 1 A 9 9 ILE CA C 5 59.727 60.132 -0.405 1
1 83 . 14 1 1 A 9 9 ILE CB C 5 41.627 40.637 0.990 1
1 87 . 14 1 1 A 9 9 ILE N N 5 128.326 129.186 -0.860 1
1 88 . 14 1 1 A 10 10 LEU H H 6 8.891 8.931 -0.040 1
1 89 . 14 1 1 A 10 10 LEU HA H 6 5.157 5.148 0.009 1
1 96 . 14 1 1 A 10 10 LEU CA C 6 54.076 53.631 0.445 1
1 97 . 14 1 1 A 10 10 LEU CB C 6 44.892 43.389 1.503 1
1 100 . 14 1 1 A 10 10 LEU N N 6 125.779 126.215 -0.436 1
1 101 . 14 1 1 A 11 11 TYR H H 7 9.099 9.225 -0.126 1
1 102 . 14 1 1 A 11 11 TYR HA H 7 4.336 5.214 -0.878 1
1 109 . 14 1 1 A 11 11 TYR C C 7 177.041 175.306 1.735 1
1 110 . 14 1 1 A 11 11 TYR CA C 7 57.379 56.592 0.787 1
1 111 . 14 1 1 A 11 11 TYR CB C 7 40.345 39.291 1.054 1
1 112 . 14 1 1 A 12 12 THR H H 8 9.286 8.572 0.714 1
1 113 . 14 1 1 A 12 12 THR HA H 8 5.105 5.071 0.034 1
1 118 . 14 1 1 A 12 12 THR C C 8 172.005 172.498 -0.493 1
1 119 . 14 1 1 A 12 12 THR CA C 8 60.604 61.025 -0.421 1
1 120 . 14 1 1 A 12 12 THR CB C 8 73.108 70.890 2.218 1
1 122 . 14 1 1 A 12 12 THR N N 8 111.938 115.212 -3.274 1
1 123 . 14 1 1 A 13 13 ARG H H 9 7.513 8.260 -0.747 1
1 124 . 14 1 1 A 13 13 ARG HA H 9 4.826 4.842 -0.016 1
1 131 . 14 1 1 A 13 13 ARG CA C 9 52.836 53.334 -0.498 1
1 132 . 14 1 1 A 13 13 ARG CB C 9 31.436 31.729 -0.293 1
1 133 . 14 1 1 A 13 13 ARG N N 9 114.036 119.850 -5.814 1
1 134 . 14 1 1 A 14 14 PRO HA H 10 4.294 4.511 -0.217 1
1 141 . 14 1 1 A 14 14 PRO C C 10 176.477 177.702 -1.225 1
1 142 . 14 1 1 A 14 14 PRO CA C 10 63.464 64.182 -0.718 1
1 143 . 14 1 1 A 14 14 PRO CB C 10 32.615 31.875 0.740 1
1 144 . 14 1 1 A 15 15 ASN H H 11 8.987 8.615 0.372 1
1 145 . 14 1 1 A 15 15 ASN HA H 11 4.240 4.524 -0.284 1
1 150 . 14 1 1 A 15 15 ASN C C 11 176.266 176.006 0.260 1
1 151 . 14 1 1 A 15 15 ASN CA C 11 54.464 56.392 -1.928 1
1 152 . 14 1 1 A 15 15 ASN CB C 11 37.500 38.514 -1.014 1
1 154 . 14 1 1 A 15 15 ASN N N 11 115.463 116.659 -1.196 1
1 156 . 14 1 1 A 16 16 CYS H H 12 7.324 7.649 -0.325 1
1 157 . 14 1 1 A 16 16 CYS HA H 12 4.931 4.510 0.421 1
1 160 . 14 1 1 A 16 16 CYS CA C 12 56.277 57.659 -1.382 1
1 161 . 14 1 1 A 16 16 CYS N N 12 123.174 116.957 6.217 1
1 162 . 14 1 1 A 17 17 PRO C C 13 178.555 177.601 0.954 1
1 163 . 14 1 1 A 17 17 PRO CA C 13 64.409 65.167 -0.758 1
1 164 . 14 1 1 A 17 17 PRO CB C 13 33.538 31.940 1.598 1
1 165 . 14 1 1 A 18 18 TYR H H 14 9.325 7.753 1.572 1
1 166 . 14 1 1 A 18 18 TYR HA H 14 4.404 4.076 0.328 1
1 173 . 14 1 1 A 18 18 TYR CA C 14 60.921 61.966 -1.045 1
1 174 . 14 1 1 A 18 18 TYR N N 14 127.149 118.319 8.830 1
1 175 . 14 1 1 A 19 19 CYS H H 15 9.687 8.170 1.517 1
1 176 . 14 1 1 A 19 19 CYS HA H 15 4.725 4.080 0.645 1
1 177 . 14 1 1 A 19 19 CYS C C 15 174.998 177.315 -2.317 1
1 178 . 14 1 1 A 19 19 CYS CA C 15 64.573 62.603 1.970 1
1 179 . 14 1 1 A 19 19 CYS CB C 15 29.227 27.127 2.100 1
1 180 . 14 1 1 A 19 19 CYS N N 15 127.652 117.350 10.302 1
1 181 . 14 1 1 A 20 20 LYS H H 16 7.706 8.465 -0.759 1
1 182 . 14 1 1 A 20 20 LYS HA H 16 3.946 4.003 -0.057 1
1 191 . 14 1 1 A 20 20 LYS C C 16 177.252 179.373 -2.121 1
1 192 . 14 1 1 A 20 20 LYS CA C 16 59.857 59.879 -0.022 1
1 193 . 14 1 1 A 20 20 LYS CB C 16 32.542 32.308 0.234 1
1 194 . 14 1 1 A 20 20 LYS N N 16 119.200 120.264 -1.064 1
1 195 . 14 1 1 A 21 21 ARG H H 17 7.839 8.190 -0.351 1
1 196 . 14 1 1 A 21 21 ARG HA H 17 4.176 4.132 0.044 1
1 203 . 14 1 1 A 21 21 ARG C C 17 179.858 178.975 0.883 1
1 204 . 14 1 1 A 21 21 ARG CA C 17 59.647 59.178 0.469 1
1 205 . 14 1 1 A 21 21 ARG CB C 17 30.340 30.097 0.243 1
1 206 . 14 1 1 A 21 21 ARG N N 17 117.964 120.008 -2.044 1
1 207 . 14 1 1 A 22 22 ALA H H 18 8.084 8.210 -0.126 1
1 208 . 14 1 1 A 22 22 ALA HA H 18 4.168 4.169 -0.001 1
1 212 . 14 1 1 A 22 22 ALA C C 18 177.322 179.522 -2.200 1
1 213 . 14 1 1 A 22 22 ALA CA C 18 55.859 55.338 0.521 1
1 214 . 14 1 1 A 22 22 ALA CB C 18 19.047 18.243 0.804 1
1 215 . 14 1 1 A 22 22 ALA N N 18 124.839 121.570 3.269 1
1 216 . 14 1 1 A 23 23 ARG H H 19 7.811 7.909 -0.098 1
1 217 . 14 1 1 A 23 23 ARG HA H 19 3.320 3.518 -0.198 1
1 224 . 14 1 1 A 23 23 ARG C C 19 177.217 177.942 -0.725 1
1 225 . 14 1 1 A 23 23 ARG CA C 19 60.780 58.770 2.010 1
1 226 . 14 1 1 A 23 23 ARG CB C 19 30.828 30.070 0.758 1
1 227 . 14 1 1 A 23 23 ARG N N 19 116.980 117.153 -0.173 1
1 228 . 14 1 1 A 24 24 ASP H H 20 8.710 8.076 0.634 1
1 229 . 14 1 1 A 24 24 ASP HA H 20 4.299 4.453 -0.154 1
1 232 . 14 1 1 A 24 24 ASP C C 20 178.625 178.281 0.344 1
1 233 . 14 1 1 A 24 24 ASP CA C 20 57.477 57.027 0.450 1
1 234 . 14 1 1 A 24 24 ASP CB C 20 40.551 41.010 -0.459 1
1 235 . 14 1 1 A 24 24 ASP N N 20 116.717 119.915 -3.198 1
1 236 . 14 1 1 A 25 25 LEU H H 21 7.114 7.956 -0.842 1
1 237 . 14 1 1 A 25 25 LEU HA H 21 4.131 4.073 0.058 1
1 246 . 14 1 1 A 25 25 LEU C C 21 177.580 178.427 -0.847 1
1 247 . 14 1 1 A 25 25 LEU CA C 21 57.857 58.525 -0.668 1
1 248 . 14 1 1 A 25 25 LEU CB C 21 41.654 41.948 -0.294 1
1 251 . 14 1 1 A 25 25 LEU N N 21 119.808 120.698 -0.890 1
1 252 . 14 1 1 A 26 26 LEU H H 22 7.294 8.134 -0.840 1
1 253 . 14 1 1 A 26 26 LEU HA H 22 3.767 3.953 -0.186 1
1 262 . 14 1 1 A 26 26 LEU C C 22 178.696 178.709 -0.013 1
1 263 . 14 1 1 A 26 26 LEU CA C 22 58.107 58.157 -0.050 1
1 264 . 14 1 1 A 26 26 LEU CB C 22 40.750 41.550 -0.800 1
1 267 . 14 1 1 A 26 26 LEU N N 22 117.901 119.151 -1.250 1
1 268 . 14 1 1 A 27 27 ASP H H 23 9.446 8.295 1.151 1
1 269 . 14 1 1 A 27 27 ASP HA H 23 4.608 4.581 0.027 1
1 272 . 14 1 1 A 27 27 ASP C C 23 180.104 178.681 1.423 1
1 273 . 14 1 1 A 27 27 ASP CA C 23 57.406 57.036 0.370 1
1 274 . 14 1 1 A 27 27 ASP CB C 23 39.839 41.502 -1.663 1
1 275 . 14 1 1 A 27 27 ASP N N 23 119.946 119.273 0.673 1
1 276 . 14 1 1 A 28 28 LYS H H 24 7.915 7.965 -0.050 1
1 277 . 14 1 1 A 28 28 LYS HA H 24 4.079 4.059 0.020 1
1 286 . 14 1 1 A 28 28 LYS C C 24 178.414 179.211 -0.797 1
1 287 . 14 1 1 A 28 28 LYS CA C 24 59.295 59.370 -0.075 1
1 288 . 14 1 1 A 28 28 LYS CB C 24 32.342 32.340 0.002 1
1 289 . 14 1 1 A 28 28 LYS N N 24 122.484 119.507 2.977 1
1 290 . 14 1 1 A 29 29 LYS H H 25 7.763 7.609 0.154 1
1 291 . 14 1 1 A 29 29 LYS HA H 25 4.195 4.186 0.009 1
1 300 . 14 1 1 A 29 29 LYS C C 25 176.583 177.170 -0.587 1
1 301 . 14 1 1 A 29 29 LYS CA C 25 56.122 56.761 -0.639 1
1 302 . 14 1 1 A 29 29 LYS CB C 25 32.771 32.836 -0.065 1
1 303 . 14 1 1 A 29 29 LYS N N 25 116.683 116.004 0.679 1
1 304 . 14 1 1 A 30 30 GLY H H 26 7.961 8.102 -0.141 1
1 305 . 14 1 1 A 30 30 GLY HA2 H 26 4.005 3.999 0.006 1
1 306 . 14 1 1 A 30 30 GLY HA3 H 26 3.894 4.001 -0.107 1
1 307 . 14 1 1 A 30 30 GLY C C 26 174.223 173.886 0.337 1
1 308 . 14 1 1 A 30 30 GLY CA C 26 46.265 46.400 -0.135 1
1 309 . 14 1 1 A 30 30 GLY N N 26 108.209 107.167 1.042 1
1 310 . 14 1 1 A 31 31 VAL H H 27 7.440 7.358 0.082 1
1 311 . 14 1 1 A 31 31 VAL HA H 27 4.355 4.865 -0.510 1
1 319 . 14 1 1 A 31 31 VAL C C 27 174.294 174.427 -0.133 1
1 320 . 14 1 1 A 31 31 VAL CA C 27 60.115 59.321 0.794 1
1 321 . 14 1 1 A 31 31 VAL CB C 27 33.737 35.914 -2.177 1
1 323 . 14 1 1 A 31 31 VAL N N 27 114.927 114.087 0.840 1
1 324 . 14 1 1 A 32 32 LYS H H 28 8.408 8.596 -0.188 1
1 325 . 14 1 1 A 32 32 LYS HA H 28 4.268 4.538 -0.270 1
1 334 . 14 1 1 A 32 32 LYS C C 28 175.385 175.646 -0.261 1
1 335 . 14 1 1 A 32 32 LYS CA C 28 55.441 54.960 0.481 1
1 336 . 14 1 1 A 32 32 LYS CB C 28 33.269 32.455 0.814 1
1 337 . 14 1 1 A 32 32 LYS N N 28 124.540 121.067 3.473 1
1 338 . 14 1 1 A 33 33 TYR H H 29 7.451 8.502 -1.051 1
1 339 . 14 1 1 A 33 33 TYR HA H 29 5.149 5.042 0.107 1
1 346 . 14 1 1 A 33 33 TYR C C 29 173.730 175.246 -1.516 1
1 347 . 14 1 1 A 33 33 TYR CA C 29 57.198 56.792 0.406 1
1 348 . 14 1 1 A 33 33 TYR CB C 29 41.499 39.774 1.725 1
1 353 . 14 1 1 A 33 33 TYR N N 29 117.090 124.701 -7.611 1
1 354 . 14 1 1 A 34 34 THR H H 30 9.106 8.745 0.361 1
1 355 . 14 1 1 A 34 34 THR HA H 30 4.368 4.890 -0.522 1
1 360 . 14 1 1 A 34 34 THR C C 30 171.336 173.284 -1.948 1
1 361 . 14 1 1 A 34 34 THR CA C 30 62.096 62.240 -0.144 1
1 362 . 14 1 1 A 34 34 THR CB C 30 70.603 69.544 1.059 1
1 364 . 14 1 1 A 34 34 THR N N 30 119.343 117.791 1.552 1
1 365 . 14 1 1 A 35 35 ASP H H 31 8.772 8.845 -0.073 1
1 366 . 14 1 1 A 35 35 ASP HA H 31 5.283 5.011 0.272 1
1 369 . 14 1 1 A 35 35 ASP C C 31 175.245 175.208 0.037 1
1 370 . 14 1 1 A 35 35 ASP CA C 31 52.549 53.309 -0.760 1
1 371 . 14 1 1 A 35 35 ASP CB C 31 42.286 41.477 0.809 1
1 372 . 14 1 1 A 35 35 ASP N N 31 129.184 127.003 2.181 1
1 373 . 14 1 1 A 36 36 ILE H H 32 9.283 9.026 0.257 1
1 374 . 14 1 1 A 36 36 ILE HA H 32 4.081 4.387 -0.306 1
1 384 . 14 1 1 A 36 36 ILE C C 32 175.854 175.552 0.302 1
1 385 . 14 1 1 A 36 36 ILE CA C 32 60.226 60.366 -0.140 1
1 386 . 14 1 1 A 36 36 ILE CB C 32 39.998 37.870 2.128 1
1 388 . 14 1 1 A 36 36 ILE N N 32 129.240 125.757 3.483 1
1 389 . 14 1 1 A 37 37 ASP H H 33 8.298 8.810 -0.512 1
1 390 . 14 1 1 A 37 37 ASP HA H 33 4.648 4.592 0.056 1
1 393 . 14 1 1 A 37 37 ASP CA C 33 54.101 54.645 -0.544 1
1 394 . 14 1 1 A 37 37 ASP CB C 33 40.536 41.279 -0.743 1
1 395 . 14 1 1 A 37 37 ASP N N 33 125.570 127.324 -1.754 1
1 396 . 14 1 1 A 38 38 ALA H H 34 9.840 8.738 1.102 1
1 397 . 14 1 1 A 38 38 ALA HA H 34 4.620 4.072 0.548 1
1 401 . 14 1 1 A 38 38 ALA C C 34 175.185 178.672 -3.487 1
1 402 . 14 1 1 A 38 38 ALA CA C 34 51.239 55.158 -3.919 1
1 403 . 14 1 1 A 38 38 ALA CB C 34 20.627 18.316 2.311 1
1 404 . 14 1 1 A 38 38 ALA N N 34 134.980 124.812 10.168 1
1 405 . 14 1 1 A 39 39 SER H H 35 8.679 7.626 1.053 1
1 406 . 14 1 1 A 39 39 SER HA H 35 4.189 4.298 -0.109 1
1 409 . 14 1 1 A 39 39 SER C C 35 175.713 176.288 -0.575 1
1 410 . 14 1 1 A 39 39 SER CA C 35 60.956 60.213 0.743 1
1 411 . 14 1 1 A 39 39 SER CB C 35 64.425 63.450 0.975 1
1 412 . 14 1 1 A 39 39 SER N N 35 111.865 115.325 -3.460 1
1 413 . 14 1 1 A 40 40 THR H H 36 8.438 8.726 -0.288 1
1 414 . 14 1 1 A 40 40 THR HA H 36 4.672 3.989 0.683 1
1 419 . 14 1 1 A 40 40 THR CA C 36 59.859 65.270 -5.411 1
1 421 . 14 1 1 A 40 40 THR N N 36 114.335 119.484 -5.149 1
1 422 . 14 1 1 A 41 41 SER C C 37 174.129 175.569 -1.440 1
1 423 . 14 1 1 A 41 41 SER CA C 37 60.964 61.706 -0.742 1
1 424 . 14 1 1 A 41 41 SER CB C 37 63.605 62.609 0.996 1
1 425 . 14 1 1 A 42 42 LEU H H 38 8.643 7.703 0.940 1
1 426 . 14 1 1 A 42 42 LEU HA H 38 4.679 4.408 0.271 1
1 436 . 14 1 1 A 42 42 LEU C C 38 176.347 177.934 -1.587 1
1 437 . 14 1 1 A 42 42 LEU CA C 38 54.842 55.645 -0.803 1
1 438 . 14 1 1 A 42 42 LEU CB C 38 41.117 43.646 -2.529 1
1 439 . 14 1 1 A 42 42 LEU N N 38 121.245 119.966 1.279 1
1 440 . 14 1 1 A 43 43 ARG H H 39 7.583 8.318 -0.735 1
1 441 . 14 1 1 A 43 43 ARG HA H 39 4.173 4.083 0.090 1
1 448 . 14 1 1 A 43 43 ARG C C 39 175.925 178.327 -2.402 1
1 449 . 14 1 1 A 43 43 ARG CA C 39 60.907 59.930 0.977 1
1 450 . 14 1 1 A 43 43 ARG N N 39 123.341 121.000 2.341 1
1 451 . 14 1 1 A 44 44 GLN H H 40 8.203 8.059 0.144 1
1 452 . 14 1 1 A 44 44 GLN HA H 40 3.974 4.016 -0.042 1
1 459 . 14 1 1 A 44 44 GLN C C 40 175.608 178.470 -2.862 1
1 460 . 14 1 1 A 44 44 GLN CA C 40 58.622 59.080 -0.458 1
1 461 . 14 1 1 A 44 44 GLN CB C 40 28.591 28.236 0.355 1
1 464 . 14 1 1 A 44 44 GLN N N 40 114.940 118.532 -3.592 1
1 466 . 14 1 1 A 45 45 GLU H H 41 7.616 8.026 -0.410 1
1 467 . 14 1 1 A 45 45 GLU HA H 41 3.947 4.025 -0.078 1
1 472 . 14 1 1 A 45 45 GLU CA C 41 59.009 59.506 -0.497 1
1 473 . 14 1 1 A 45 45 GLU CB C 41 30.110 29.768 0.342 1
1 474 . 14 1 1 A 45 45 GLU N N 41 120.916 119.434 1.482 1
1 475 . 14 1 1 A 46 46 MET H H 42 7.474 8.279 -0.805 1
1 476 . 14 1 1 A 46 46 MET HA H 42 4.778 4.272 0.506 1
1 483 . 14 1 1 A 46 46 MET C C 42 176.347 177.986 -1.639 1
1 484 . 14 1 1 A 46 46 MET CA C 42 59.567 58.068 1.499 1
1 485 . 14 1 1 A 46 46 MET CB C 42 30.294 32.809 -2.515 1
1 487 . 14 1 1 A 46 46 MET N N 42 118.736 119.190 -0.454 1
1 488 . 14 1 1 A 47 47 VAL H H 43 8.006 8.657 -0.651 1
1 489 . 14 1 1 A 47 47 VAL HA H 43 3.624 3.470 0.154 1
1 497 . 14 1 1 A 47 47 VAL C C 43 176.911 177.089 -0.178 1
1 498 . 14 1 1 A 47 47 VAL CA C 43 65.362 64.947 0.415 1
1 499 . 14 1 1 A 47 47 VAL CB C 43 31.859 30.527 1.332 1
1 501 . 14 1 1 A 47 47 VAL N N 43 116.804 118.888 -2.084 1
1 502 . 14 1 1 A 48 48 GLN H H 44 7.935 7.878 0.057 1
1 503 . 14 1 1 A 48 48 GLN HA H 44 3.972 4.022 -0.050 1
1 510 . 14 1 1 A 48 48 GLN C C 44 178.636 178.629 0.007 1
1 511 . 14 1 1 A 48 48 GLN CA C 44 58.472 58.969 -0.497 1
1 512 . 14 1 1 A 48 48 GLN CB C 44 30.542 28.351 2.191 1
1 513 . 14 1 1 A 48 48 GLN N N 44 117.704 121.384 -3.680 1
1 515 . 14 1 1 A 49 49 ARG H H 45 8.100 8.012 0.088 1
1 516 . 14 1 1 A 49 49 ARG HA H 45 3.906 4.084 -0.178 1
1 521 . 14 1 1 A 49 49 ARG CA C 45 59.397 58.493 0.904 1
1 522 . 14 1 1 A 49 49 ARG CB C 45 29.993 29.971 0.022 1
1 523 . 14 1 1 A 49 49 ARG N N 45 120.984 119.939 1.045 1
1 524 . 14 1 1 A 50 50 ALA H H 46 8.279 7.529 0.750 1
1 525 . 14 1 1 A 50 50 ALA HA H 46 3.782 4.245 -0.463 1
1 529 . 14 1 1 A 50 50 ALA C C 46 178.073 178.872 -0.799 1
1 530 . 14 1 1 A 50 50 ALA CA C 46 51.408 53.795 -2.387 1
1 531 . 14 1 1 A 50 50 ALA CB C 46 18.883 18.892 -0.009 1
1 532 . 14 1 1 A 50 50 ALA N N 46 118.254 121.657 -3.403 1
1 533 . 14 1 1 A 51 51 ASN H H 47 7.706 8.279 -0.573 1
1 534 . 14 1 1 A 51 51 ASN HA H 47 4.420 5.115 -0.695 1
1 539 . 14 1 1 A 51 51 ASN C C 47 174.974 175.569 -0.595 1
1 540 . 14 1 1 A 51 51 ASN CA C 47 54.303 54.392 -0.089 1
1 541 . 14 1 1 A 51 51 ASN CB C 47 37.804 40.820 -3.016 1
1 543 . 14 1 1 A 51 51 ASN N N 47 115.277 114.285 0.992 1
1 545 . 14 1 1 A 52 52 GLY H H 48 8.702 7.932 0.770 1
1 546 . 14 1 1 A 52 52 GLY HA2 H 48 4.267 4.007 0.260 1
1 547 . 14 1 1 A 52 52 GLY HA3 H 48 3.379 4.019 -0.640 1
1 548 . 14 1 1 A 52 52 GLY CA C 48 45.176 45.415 -0.239 1
1 549 . 14 1 1 A 52 52 GLY N N 48 104.035 107.615 -3.580 1
1 550 . 14 1 1 A 53 53 ARG H H 49 7.116 7.841 -0.725 1
1 551 . 14 1 1 A 53 53 ARG HA H 49 4.144 4.480 -0.336 1
1 558 . 14 1 1 A 53 53 ARG C C 49 176.101 173.772 2.329 1
1 559 . 14 1 1 A 53 53 ARG CA C 49 57.285 55.985 1.300 1
1 560 . 14 1 1 A 53 53 ARG N N 49 121.384 121.123 0.261 1
1 561 . 14 1 1 A 54 54 ASN H H 50 7.958 8.962 -1.004 1
1 562 . 14 1 1 A 54 54 ASN HA H 50 4.589 5.379 -0.790 1
1 567 . 14 1 1 A 54 54 ASN CA C 50 51.568 51.614 -0.046 1
1 568 . 14 1 1 A 54 54 ASN CB C 50 38.018 41.876 -3.858 1
1 570 . 14 1 1 A 54 54 ASN N N 50 116.546 125.110 -8.564 1
1 572 . 14 1 1 A 55 55 THR H H 51 6.818 8.101 -1.283 1
1 573 . 14 1 1 A 55 55 THR HA H 51 4.283 4.554 -0.271 1
1 578 . 14 1 1 A 55 55 THR C C 51 172.509 173.183 -0.674 1
1 579 . 14 1 1 A 55 55 THR CA C 51 59.829 61.140 -1.311 1
1 580 . 14 1 1 A 55 55 THR CB C 51 70.400 70.217 0.183 1
1 582 . 14 1 1 A 55 55 THR N N 51 108.070 116.658 -8.588 1
1 583 . 14 1 1 A 56 56 PHE H H 52 8.444 6.802 1.642 1
1 584 . 14 1 1 A 56 56 PHE HA H 52 4.730 5.161 -0.431 1
1 592 . 14 1 1 A 56 56 PHE CA C 52 55.529 55.417 0.112 1
1 593 . 14 1 1 A 56 56 PHE N N 52 116.926 118.852 -1.926 1
1 594 . 14 1 1 A 57 57 PRO CA C 53 62.827 63.027 -0.200 1
1 595 . 14 1 1 A 57 57 PRO CB C 53 35.258 32.669 2.589 1
1 596 . 14 1 1 A 58 58 GLN H H 54 8.070 8.624 -0.554 1
1 597 . 14 1 1 A 58 58 GLN HA H 54 4.853 4.924 -0.071 1
1 604 . 14 1 1 A 58 58 GLN C C 54 175.291 173.199 2.092 1
1 605 . 14 1 1 A 58 58 GLN CA C 54 55.071 55.049 0.022 1
1 606 . 14 1 1 A 58 58 GLN CB C 54 32.237 31.084 1.153 1
1 607 . 14 1 1 A 58 58 GLN N N 54 113.697 116.897 -3.200 1
1 609 . 14 1 1 A 59 59 ILE H H 55 8.753 8.848 -0.095 1
1 610 . 14 1 1 A 59 59 ILE HA H 55 5.089 4.777 0.312 1
1 620 . 14 1 1 A 59 59 ILE C C 55 174.164 175.073 -0.909 1
1 621 . 14 1 1 A 59 59 ILE CA C 55 61.194 60.486 0.708 1
1 622 . 14 1 1 A 59 59 ILE CB C 55 40.657 39.257 1.400 1
1 625 . 14 1 1 A 59 59 ILE N N 55 122.202 121.592 0.610 1
1 626 . 14 1 1 A 60 60 PHE H H 56 9.564 9.436 0.128 1
1 627 . 14 1 1 A 60 60 PHE HA H 56 5.390 5.092 0.298 1
1 635 . 14 1 1 A 60 60 PHE C C 56 174.305 175.427 -1.122 1
1 636 . 14 1 1 A 60 60 PHE CA C 56 56.614 57.898 -1.284 1
1 637 . 14 1 1 A 60 60 PHE CB C 56 42.488 41.785 0.703 1
1 638 . 14 1 1 A 60 60 PHE N N 56 127.604 127.661 -0.057 1
1 639 . 14 1 1 A 61 61 ILE H H 57 9.231 8.972 0.259 1
1 640 . 14 1 1 A 61 61 ILE HA H 57 4.483 4.909 -0.426 1
1 650 . 14 1 1 A 61 61 ILE C C 57 176.418 176.326 0.092 1
1 651 . 14 1 1 A 61 61 ILE CA C 57 60.800 59.306 1.494 1
1 652 . 14 1 1 A 61 61 ILE CB C 57 39.431 40.493 -1.062 1
1 656 . 14 1 1 A 61 61 ILE N N 57 121.606 119.415 2.191 1
1 657 . 14 1 1 A 62 62 GLY H H 58 9.118 9.190 -0.072 1
1 658 . 14 1 1 A 62 62 GLY HA2 H 58 4.092 3.939 0.153 1
1 659 . 14 1 1 A 62 62 GLY HA3 H 58 3.951 3.962 -0.011 1
1 660 . 14 1 1 A 62 62 GLY C C 58 174.058 174.407 -0.349 1
1 661 . 14 1 1 A 62 62 GLY CA C 58 47.516 47.491 0.025 1
1 662 . 14 1 1 A 62 62 GLY N N 58 118.483 114.702 3.781 1
1 663 . 14 1 1 A 63 63 ASP H H 59 8.944 8.539 0.405 1
1 664 . 14 1 1 A 63 63 ASP HA H 59 4.762 4.975 -0.213 1
1 667 . 14 1 1 A 63 63 ASP C C 59 175.220 174.198 1.022 1
1 668 . 14 1 1 A 63 63 ASP CA C 59 54.467 53.677 0.790 1
1 669 . 14 1 1 A 63 63 ASP CB C 59 40.913 42.302 -1.389 1
1 670 . 14 1 1 A 63 63 ASP N N 59 125.981 125.931 0.050 1
1 671 . 14 1 1 A 64 64 TYR H H 60 8.332 7.914 0.418 1
1 672 . 14 1 1 A 64 64 TYR HA H 60 4.600 4.840 -0.240 1
1 679 . 14 1 1 A 64 64 TYR C C 60 174.023 173.453 0.570 1
1 680 . 14 1 1 A 64 64 TYR CA C 60 57.761 56.695 1.066 1
1 681 . 14 1 1 A 64 64 TYR CB C 60 33.473 42.191 -8.718 1
1 682 . 14 1 1 A 64 64 TYR N N 60 122.443 121.209 1.234 1
1 683 . 14 1 1 A 65 65 HIS H H 61 8.625 7.385 1.240 1
1 684 . 14 1 1 A 65 65 HIS HA H 61 4.200 4.484 -0.284 1
1 689 . 14 1 1 A 65 65 HIS C C 61 171.910 174.811 -2.901 1
1 690 . 14 1 1 A 65 65 HIS CA C 61 53.347 53.055 0.292 1
1 691 . 14 1 1 A 65 65 HIS CB C 61 28.830 30.950 -2.120 1
1 692 . 14 1 1 A 65 65 HIS N N 61 129.863 121.748 8.115 1
1 693 . 14 1 1 A 66 66 VAL H H 62 8.059 8.778 -0.719 1
1 694 . 14 1 1 A 66 66 VAL HA H 62 3.316 3.694 -0.378 1
1 702 . 14 1 1 A 66 66 VAL CA C 62 64.194 65.522 -1.328 1
1 703 . 14 1 1 A 66 66 VAL CB C 62 32.770 32.310 0.460 1
1 705 . 14 1 1 A 66 66 VAL N N 62 129.219 123.594 5.625 1
1 706 . 14 1 1 A 67 67 GLY H H 63 6.327 7.810 -1.483 1
1 707 . 14 1 1 A 67 67 GLY HA2 H 63 4.503 4.071 0.432 1
1 708 . 14 1 1 A 67 67 GLY HA3 H 63 2.870 4.144 -1.274 1
1 709 . 14 1 1 A 67 67 GLY C C 63 172.156 173.897 -1.741 1
1 710 . 14 1 1 A 67 67 GLY CA C 63 43.551 45.350 -1.799 1
1 711 . 14 1 1 A 67 67 GLY N N 63 102.548 107.552 -5.004 1
1 712 . 14 1 1 A 68 68 GLY H H 64 9.095 7.953 1.142 1
1 713 . 14 1 1 A 68 68 GLY HA2 H 64 4.863 4.039 0.824 1
1 714 . 14 1 1 A 68 68 GLY HA3 H 64 3.821 4.071 -0.250 1
1 715 . 14 1 1 A 68 68 GLY C C 64 172.509 174.469 -1.960 1
1 716 . 14 1 1 A 68 68 GLY CA C 64 43.870 45.225 -1.355 1
1 717 . 14 1 1 A 68 68 GLY N N 64 110.080 107.229 2.851 1
1 718 . 14 1 1 A 69 69 CYS H H 65 8.398 9.014 -0.616 1
1 719 . 14 1 1 A 69 69 CYS HA H 65 3.846 4.199 -0.353 1
1 722 . 14 1 1 A 69 69 CYS C C 65 173.741 176.592 -2.851 1
1 723 . 14 1 1 A 69 69 CYS CA C 65 62.944 61.583 1.361 1
1 724 . 14 1 1 A 69 69 CYS CB C 65 45.022 26.866 18.156 1
1 725 . 14 1 1 A 69 69 CYS N N 65 118.292 118.860 -0.568 1
1 726 . 14 1 1 A 70 70 ASP H H 66 9.110 8.180 0.930 1
1 727 . 14 1 1 A 70 70 ASP HA H 66 5.745 4.330 1.415 1
1 730 . 14 1 1 A 70 70 ASP C C 66 178.777 178.145 0.632 1
1 731 . 14 1 1 A 70 70 ASP CA C 66 57.437 56.783 0.654 1
1 732 . 14 1 1 A 70 70 ASP CB C 66 40.016 40.604 -0.588 1
1 733 . 14 1 1 A 70 70 ASP N N 66 123.178 121.005 2.173 1
1 734 . 14 1 1 A 71 71 ASP H H 67 7.301 8.115 -0.814 1
1 735 . 14 1 1 A 71 71 ASP HA H 67 4.362 4.358 0.004 1
1 738 . 14 1 1 A 71 71 ASP C C 67 177.474 178.951 -1.477 1
1 739 . 14 1 1 A 71 71 ASP CA C 67 57.381 57.399 -0.018 1
1 740 . 14 1 1 A 71 71 ASP CB C 67 41.503 40.755 0.748 1
1 741 . 14 1 1 A 71 71 ASP N N 67 119.848 119.395 0.453 1
1 742 . 14 1 1 A 72 72 LEU H H 68 7.805 7.672 0.133 1
1 743 . 14 1 1 A 72 72 LEU HA H 68 3.822 4.053 -0.231 1
1 753 . 14 1 1 A 72 72 LEU C C 68 177.509 178.507 -0.998 1
1 754 . 14 1 1 A 72 72 LEU CA C 68 58.446 57.944 0.502 1
1 755 . 14 1 1 A 72 72 LEU CB C 68 42.524 41.608 0.916 1
1 757 . 14 1 1 A 72 72 LEU N N 68 121.720 118.004 3.716 1
1 758 . 14 1 1 A 73 73 TYR H H 69 8.229 8.396 -0.167 1
1 759 . 14 1 1 A 73 73 TYR HA H 69 3.772 4.675 -0.903 1
1 766 . 14 1 1 A 73 73 TYR C C 69 177.721 178.224 -0.503 1
1 767 . 14 1 1 A 73 73 TYR CA C 69 62.867 60.872 1.995 1
1 768 . 14 1 1 A 73 73 TYR CB C 69 38.215 38.071 0.144 1
1 769 . 14 1 1 A 73 73 TYR N N 69 116.501 120.464 -3.963 1
1 770 . 14 1 1 A 74 74 ALA H H 70 8.275 8.567 -0.292 1
1 771 . 14 1 1 A 74 74 ALA HA H 70 4.286 4.098 0.188 1
1 775 . 14 1 1 A 74 74 ALA C C 70 180.045 179.989 0.056 1
1 776 . 14 1 1 A 74 74 ALA CA C 70 55.701 55.266 0.435 1
1 777 . 14 1 1 A 74 74 ALA CB C 70 17.944 18.114 -0.170 1
1 778 . 14 1 1 A 74 74 ALA N N 70 122.883 121.642 1.241 1
1 779 . 14 1 1 A 75 75 LEU H H 71 7.558 8.341 -0.783 1
1 780 . 14 1 1 A 75 75 LEU HA H 71 3.975 3.878 0.097 1
1 790 . 14 1 1 A 75 75 LEU C C 71 179.024 178.673 0.351 1
1 791 . 14 1 1 A 75 75 LEU CA C 71 57.994 58.202 -0.208 1
1 792 . 14 1 1 A 75 75 LEU CB C 71 42.836 41.687 1.149 1
1 793 . 14 1 1 A 75 75 LEU N N 71 117.133 118.454 -1.321 1
1 794 . 14 1 1 A 76 76 GLU H H 72 7.587 8.102 -0.515 1
1 795 . 14 1 1 A 76 76 GLU HA H 72 4.473 3.977 0.496 1
1 800 . 14 1 1 A 76 76 GLU C C 72 179.270 178.298 0.972 1
1 801 . 14 1 1 A 76 76 GLU CA C 72 58.296 59.106 -0.810 1
1 802 . 14 1 1 A 76 76 GLU CB C 72 28.457 28.872 -0.415 1
1 803 . 14 1 1 A 76 76 GLU N N 72 121.576 119.132 2.444 1
1 804 . 14 1 1 A 77 77 ASN H H 73 8.863 7.823 1.040 1
1 805 . 14 1 1 A 77 77 ASN HA H 73 4.511 4.488 0.023 1
1 810 . 14 1 1 A 77 77 ASN C C 73 176.664 177.213 -0.549 1
1 811 . 14 1 1 A 77 77 ASN CA C 73 55.944 55.499 0.445 1
1 812 . 14 1 1 A 77 77 ASN CB C 73 38.660 38.505 0.155 1
1 814 . 14 1 1 A 77 77 ASN N N 73 120.232 119.066 1.166 1
1 816 . 14 1 1 A 78 78 LYS H H 74 7.617 7.650 -0.033 1
1 817 . 14 1 1 A 78 78 LYS HA H 74 4.426 4.273 0.153 1
1 826 . 14 1 1 A 78 78 LYS C C 74 176.312 176.453 -0.141 1
1 827 . 14 1 1 A 78 78 LYS CA C 74 55.863 56.271 -0.408 1
1 828 . 14 1 1 A 78 78 LYS CB C 74 33.482 33.019 0.463 1
1 829 . 14 1 1 A 78 78 LYS N N 74 115.597 116.396 -0.799 1
1 830 . 14 1 1 A 79 79 GLY H H 75 8.023 7.602 0.421 1
1 831 . 14 1 1 A 79 79 GLY HA2 H 75 4.060 4.014 0.046 1
1 832 . 14 1 1 A 79 79 GLY HA3 H 75 4.060 4.016 0.044 1
1 833 . 14 1 1 A 79 79 GLY C C 75 175.009 175.675 -0.666 1
1 834 . 14 1 1 A 79 79 GLY CA C 75 46.234 45.068 1.166 1
1 835 . 14 1 1 A 79 79 GLY N N 75 109.073 105.742 3.331 1
1 836 . 14 1 1 A 80 80 LYS H H 76 8.091 8.520 -0.429 1
1 837 . 14 1 1 A 80 80 LYS HA H 76 4.422 4.365 0.057 1
1 846 . 14 1 1 A 80 80 LYS C C 76 173.037 177.254 -4.217 1
1 847 . 14 1 1 A 80 80 LYS CA C 76 55.679 56.593 -0.914 1
1 848 . 14 1 1 A 80 80 LYS CB C 76 35.038 32.658 2.380 1
1 849 . 14 1 1 A 80 80 LYS N N 76 116.888 120.349 -3.461 1
1 850 . 14 1 1 A 81 81 LEU H H 77 7.411 7.688 -0.277 1
1 851 . 14 1 1 A 81 81 LEU HA H 77 4.003 3.955 0.048 1
1 861 . 14 1 1 A 81 81 LEU C C 77 177.333 178.091 -0.758 1
1 862 . 14 1 1 A 81 81 LEU CA C 77 57.512 58.319 -0.807 1
1 863 . 14 1 1 A 81 81 LEU CB C 77 40.676 41.248 -0.572 1
1 864 . 14 1 1 A 81 81 LEU N N 77 122.079 122.156 -0.077 1
1 865 . 14 1 1 A 82 82 ASP H H 78 8.613 8.468 0.145 1
1 866 . 14 1 1 A 82 82 ASP HA H 78 4.232 4.267 -0.035 1
1 869 . 14 1 1 A 82 82 ASP C C 78 178.354 178.860 -0.506 1
1 870 . 14 1 1 A 82 82 ASP CA C 78 58.438 57.582 0.856 1
1 871 . 14 1 1 A 82 82 ASP CB C 78 39.890 40.373 -0.483 1
1 872 . 14 1 1 A 82 82 ASP N N 78 118.813 118.617 0.196 1
1 873 . 14 1 1 A 83 83 SER H H 79 7.886 7.891 -0.005 1
1 874 . 14 1 1 A 83 83 SER HA H 79 4.164 4.250 -0.086 1
1 877 . 14 1 1 A 83 83 SER C C 79 176.171 177.571 -1.400 1
1 878 . 14 1 1 A 83 83 SER CA C 79 61.285 61.320 -0.035 1
1 879 . 14 1 1 A 83 83 SER CB C 79 62.632 62.946 -0.314 1
1 880 . 14 1 1 A 83 83 SER N N 79 113.338 114.839 -1.501 1
1 881 . 14 1 1 A 84 84 LEU H H 80 7.354 8.247 -0.893 1
1 882 . 14 1 1 A 84 84 LEU HA H 80 4.152 3.940 0.212 1
1 892 . 14 1 1 A 84 84 LEU C C 80 173.671 178.845 -5.174 1
1 893 . 14 1 1 A 84 84 LEU CA C 80 56.841 58.274 -1.433 1
1 894 . 14 1 1 A 84 84 LEU CB C 80 42.682 42.230 0.452 1
1 897 . 14 1 1 A 84 84 LEU N N 80 121.453 121.992 -0.539 1
1 898 . 14 1 1 A 85 85 LEU H H 81 7.655 8.662 -1.007 1
1 899 . 14 1 1 A 85 85 LEU HA H 81 4.113 3.956 0.157 1
1 909 . 14 1 1 A 85 85 LEU C C 81 177.333 179.279 -1.946 1
1 910 . 14 1 1 A 85 85 LEU CA C 81 55.748 58.134 -2.386 1
1 911 . 14 1 1 A 85 85 LEU CB C 81 41.707 41.111 0.596 1
1 914 . 14 1 1 A 85 85 LEU N N 81 115.497 117.987 -2.490 1
1 915 . 14 1 1 A 86 86 GLN H H 82 7.414 8.200 -0.786 1
1 916 . 14 1 1 A 86 86 GLN HA H 82 4.177 3.927 0.250 1
1 923 . 14 1 1 A 86 86 GLN C C 82 175.537 177.667 -2.130 1
1 924 . 14 1 1 A 86 86 GLN CA C 82 56.986 59.034 -2.048 1
1 925 . 14 1 1 A 86 86 GLN CB C 82 29.187 28.349 0.838 1
1 928 . 14 1 1 A 86 86 GLN N N 82 117.020 118.480 -1.460 1
1 930 . 14 1 1 A 87 87 ASP H H 83 8.092 8.009 0.083 1
1 931 . 14 1 1 A 87 87 ASP HA H 83 4.672 4.444 0.228 1
1 934 . 14 1 1 A 87 87 ASP C C 83 177.263 178.247 -0.984 1
1 935 . 14 1 1 A 87 87 ASP CA C 83 54.394 57.171 -2.777 1
1 936 . 14 1 1 A 87 87 ASP CB C 83 40.722 41.171 -0.449 1
1 937 . 14 1 1 A 87 87 ASP N N 83 119.072 119.941 -0.869 1
1 938 . 14 1 1 A 88 88 VAL H H 84 7.692 8.146 -0.454 1
1 939 . 14 1 1 A 88 88 VAL HA H 84 4.175 3.870 0.305 1
1 947 . 14 1 1 A 88 88 VAL C C 84 174.164 178.064 -3.900 1
1 948 . 14 1 1 A 88 88 VAL CA C 84 62.165 65.667 -3.502 1
1 949 . 14 1 1 A 88 88 VAL CB C 84 32.284 31.490 0.794 1
1 952 . 14 1 1 A 88 88 VAL N N 84 118.778 117.074 1.704 1
1 1 . 15 1 1 A 2 2 PRO C C -2 177.005 175.846 1.159 1
1 2 . 15 1 1 A 2 2 PRO CA C -2 63.481 62.434 1.047 1
1 3 . 15 1 1 A 2 2 PRO CB C -2 32.244 33.346 -1.102 1
1 4 . 15 1 1 A 3 3 GLY H H -1 8.665 8.273 0.392 1
1 5 . 15 1 1 A 3 3 GLY HA2 H -1 3.985 4.219 -0.234 1
1 6 . 15 1 1 A 3 3 GLY HA3 H -1 3.985 4.226 -0.241 1
1 7 . 15 1 1 A 3 3 GLY C C -1 173.706 172.102 1.604 1
1 8 . 15 1 1 A 3 3 GLY CA C -1 45.291 45.651 -0.360 1
1 9 . 15 1 1 A 3 3 GLY N N -1 109.788 107.202 2.586 1
1 10 . 15 1 1 A 4 4 SER H H 0 8.190 8.536 -0.346 1
1 11 . 15 1 1 A 4 4 SER HA H 0 4.477 5.024 -0.547 1
1 14 . 15 1 1 A 4 4 SER C C 0 175.738 173.038 2.700 1
1 15 . 15 1 1 A 4 4 SER CA C 0 58.322 57.520 0.802 1
1 16 . 15 1 1 A 4 4 SER CB C 0 63.927 62.388 1.539 1
1 17 . 15 1 1 A 4 4 SER N N 0 115.613 117.983 -2.370 1
1 18 . 15 1 1 A 5 5 MET H H 1 8.458 8.374 0.084 1
1 19 . 15 1 1 A 5 5 MET HA H 1 4.320 4.990 -0.670 1
1 27 . 15 1 1 A 5 5 MET C C 1 173.977 175.517 -1.540 1
1 28 . 15 1 1 A 5 5 MET CA C 1 56.011 54.371 1.640 1
1 29 . 15 1 1 A 5 5 MET CB C 1 33.797 36.530 -2.733 1
1 30 . 15 1 1 A 5 5 MET N N 1 122.334 124.099 -1.765 1
1 31 . 15 1 1 A 6 6 LYS H H 2 8.445 8.302 0.143 1
1 32 . 15 1 1 A 6 6 LYS HA H 2 4.566 4.465 0.101 1
1 39 . 15 1 1 A 6 6 LYS C C 2 174.575 175.815 -1.240 1
1 40 . 15 1 1 A 6 6 LYS CA C 2 55.887 56.238 -0.351 1
1 41 . 15 1 1 A 6 6 LYS CB C 2 33.848 33.657 0.191 1
1 42 . 15 1 1 A 6 6 LYS N N 2 122.229 123.089 -0.860 1
1 43 . 15 1 1 A 7 7 GLU H H 3 8.324 8.644 -0.320 1
1 44 . 15 1 1 A 7 7 GLU HA H 3 4.440 5.152 -0.712 1
1 49 . 15 1 1 A 7 7 GLU C C 3 175.491 173.744 1.747 1
1 50 . 15 1 1 A 7 7 GLU CA C 3 55.680 54.797 0.883 1
1 51 . 15 1 1 A 7 7 GLU CB C 3 31.513 33.607 -2.094 1
1 52 . 15 1 1 A 7 7 GLU N N 3 121.539 121.554 -0.015 1
1 53 . 15 1 1 A 8 8 ILE H H 4 9.014 8.924 0.090 1
1 54 . 15 1 1 A 8 8 ILE HA H 4 5.025 5.230 -0.205 1
1 64 . 15 1 1 A 8 8 ILE C C 4 174.199 173.810 0.389 1
1 65 . 15 1 1 A 8 8 ILE CA C 4 60.927 59.505 1.422 1
1 66 . 15 1 1 A 8 8 ILE CB C 4 38.759 41.173 -2.414 1
1 69 . 15 1 1 A 8 8 ILE N N 4 127.255 125.686 1.569 1
1 70 . 15 1 1 A 9 9 ILE H H 5 9.104 9.278 -0.174 1
1 71 . 15 1 1 A 9 9 ILE HA H 5 4.900 4.776 0.124 1
1 81 . 15 1 1 A 9 9 ILE C C 5 173.906 175.056 -1.150 1
1 82 . 15 1 1 A 9 9 ILE CA C 5 59.727 60.054 -0.327 1
1 83 . 15 1 1 A 9 9 ILE CB C 5 41.627 41.055 0.572 1
1 87 . 15 1 1 A 9 9 ILE N N 5 128.326 129.031 -0.705 1
1 88 . 15 1 1 A 10 10 LEU H H 6 8.891 8.941 -0.050 1
1 89 . 15 1 1 A 10 10 LEU HA H 6 5.157 5.127 0.030 1
1 96 . 15 1 1 A 10 10 LEU CA C 6 54.076 53.564 0.512 1
1 97 . 15 1 1 A 10 10 LEU CB C 6 44.892 43.584 1.308 1
1 100 . 15 1 1 A 10 10 LEU N N 6 125.779 126.459 -0.680 1
1 101 . 15 1 1 A 11 11 TYR H H 7 9.099 9.054 0.045 1
1 102 . 15 1 1 A 11 11 TYR HA H 7 4.336 5.349 -1.013 1
1 109 . 15 1 1 A 11 11 TYR C C 7 177.041 175.457 1.584 1
1 110 . 15 1 1 A 11 11 TYR CA C 7 57.379 56.614 0.765 1
1 111 . 15 1 1 A 11 11 TYR CB C 7 40.345 40.233 0.112 1
1 112 . 15 1 1 A 12 12 THR H H 8 9.286 8.656 0.630 1
1 113 . 15 1 1 A 12 12 THR HA H 8 5.105 5.010 0.095 1
1 118 . 15 1 1 A 12 12 THR C C 8 172.005 173.090 -1.085 1
1 119 . 15 1 1 A 12 12 THR CA C 8 60.604 61.031 -0.427 1
1 120 . 15 1 1 A 12 12 THR CB C 8 73.108 70.808 2.300 1
1 122 . 15 1 1 A 12 12 THR N N 8 111.938 114.256 -2.318 1
1 123 . 15 1 1 A 13 13 ARG H H 9 7.513 8.512 -0.999 1
1 124 . 15 1 1 A 13 13 ARG HA H 9 4.826 4.816 0.010 1
1 131 . 15 1 1 A 13 13 ARG CA C 9 52.836 54.218 -1.382 1
1 132 . 15 1 1 A 13 13 ARG CB C 9 31.436 31.132 0.304 1
1 133 . 15 1 1 A 13 13 ARG N N 9 114.036 120.696 -6.660 1
1 134 . 15 1 1 A 14 14 PRO HA H 10 4.294 4.513 -0.219 1
1 141 . 15 1 1 A 14 14 PRO C C 10 176.477 176.554 -0.077 1
1 142 . 15 1 1 A 14 14 PRO CA C 10 63.464 64.262 -0.798 1
1 143 . 15 1 1 A 14 14 PRO CB C 10 32.615 31.696 0.919 1
1 144 . 15 1 1 A 15 15 ASN H H 11 8.987 8.280 0.707 1
1 145 . 15 1 1 A 15 15 ASN HA H 11 4.240 4.904 -0.664 1
1 150 . 15 1 1 A 15 15 ASN C C 11 176.266 174.654 1.612 1
1 151 . 15 1 1 A 15 15 ASN CA C 11 54.464 52.922 1.542 1
1 152 . 15 1 1 A 15 15 ASN CB C 11 37.500 39.349 -1.849 1
1 154 . 15 1 1 A 15 15 ASN N N 11 115.463 115.346 0.117 1
1 156 . 15 1 1 A 16 16 CYS H H 12 7.324 7.529 -0.205 1
1 157 . 15 1 1 A 16 16 CYS HA H 12 4.931 4.840 0.091 1
1 160 . 15 1 1 A 16 16 CYS CA C 12 56.277 55.785 0.492 1
1 161 . 15 1 1 A 16 16 CYS N N 12 123.174 121.025 2.149 1
1 162 . 15 1 1 A 17 17 PRO C C 13 178.555 177.620 0.935 1
1 163 . 15 1 1 A 17 17 PRO CA C 13 64.409 64.996 -0.587 1
1 164 . 15 1 1 A 17 17 PRO CB C 13 33.538 32.038 1.500 1
1 165 . 15 1 1 A 18 18 TYR H H 14 9.325 7.884 1.441 1
1 166 . 15 1 1 A 18 18 TYR HA H 14 4.404 4.319 0.085 1
1 173 . 15 1 1 A 18 18 TYR CA C 14 60.921 61.697 -0.776 1
1 174 . 15 1 1 A 18 18 TYR N N 14 127.149 118.422 8.727 1
1 175 . 15 1 1 A 19 19 CYS H H 15 9.687 7.812 1.875 1
1 176 . 15 1 1 A 19 19 CYS HA H 15 4.725 4.449 0.276 1
1 177 . 15 1 1 A 19 19 CYS C C 15 174.998 177.029 -2.031 1
1 178 . 15 1 1 A 19 19 CYS CA C 15 64.573 61.980 2.593 1
1 179 . 15 1 1 A 19 19 CYS CB C 15 29.227 26.163 3.064 1
1 180 . 15 1 1 A 19 19 CYS N N 15 127.652 118.465 9.187 1
1 181 . 15 1 1 A 20 20 LYS H H 16 7.706 7.892 -0.186 1
1 182 . 15 1 1 A 20 20 LYS HA H 16 3.946 3.921 0.025 1
1 191 . 15 1 1 A 20 20 LYS C C 16 177.252 179.297 -2.045 1
1 192 . 15 1 1 A 20 20 LYS CA C 16 59.857 59.695 0.162 1
1 193 . 15 1 1 A 20 20 LYS CB C 16 32.542 32.293 0.249 1
1 194 . 15 1 1 A 20 20 LYS N N 16 119.200 120.437 -1.237 1
1 195 . 15 1 1 A 21 21 ARG H H 17 7.839 7.891 -0.052 1
1 196 . 15 1 1 A 21 21 ARG HA H 17 4.176 4.027 0.149 1
1 203 . 15 1 1 A 21 21 ARG C C 17 179.858 178.948 0.910 1
1 204 . 15 1 1 A 21 21 ARG CA C 17 59.647 59.099 0.548 1
1 205 . 15 1 1 A 21 21 ARG CB C 17 30.340 29.805 0.535 1
1 206 . 15 1 1 A 21 21 ARG N N 17 117.964 119.738 -1.774 1
1 207 . 15 1 1 A 22 22 ALA H H 18 8.084 8.089 -0.005 1
1 208 . 15 1 1 A 22 22 ALA HA H 18 4.168 4.133 0.035 1
1 212 . 15 1 1 A 22 22 ALA C C 18 177.322 179.512 -2.190 1
1 213 . 15 1 1 A 22 22 ALA CA C 18 55.859 55.256 0.603 1
1 214 . 15 1 1 A 22 22 ALA CB C 18 19.047 18.301 0.746 1
1 215 . 15 1 1 A 22 22 ALA N N 18 124.839 121.760 3.079 1
1 216 . 15 1 1 A 23 23 ARG H H 19 7.811 7.967 -0.156 1
1 217 . 15 1 1 A 23 23 ARG HA H 19 3.320 3.644 -0.324 1
1 224 . 15 1 1 A 23 23 ARG C C 19 177.217 177.911 -0.694 1
1 225 . 15 1 1 A 23 23 ARG CA C 19 60.780 58.786 1.994 1
1 226 . 15 1 1 A 23 23 ARG CB C 19 30.828 30.019 0.809 1
1 227 . 15 1 1 A 23 23 ARG N N 19 116.980 117.154 -0.174 1
1 228 . 15 1 1 A 24 24 ASP H H 20 8.710 7.949 0.761 1
1 229 . 15 1 1 A 24 24 ASP HA H 20 4.299 4.467 -0.168 1
1 232 . 15 1 1 A 24 24 ASP C C 20 178.625 178.706 -0.081 1
1 233 . 15 1 1 A 24 24 ASP CA C 20 57.477 57.234 0.243 1
1 234 . 15 1 1 A 24 24 ASP CB C 20 40.551 40.773 -0.222 1
1 235 . 15 1 1 A 24 24 ASP N N 20 116.717 119.750 -3.033 1
1 236 . 15 1 1 A 25 25 LEU H H 21 7.114 7.757 -0.643 1
1 237 . 15 1 1 A 25 25 LEU HA H 21 4.131 4.048 0.083 1
1 246 . 15 1 1 A 25 25 LEU C C 21 177.580 178.504 -0.924 1
1 247 . 15 1 1 A 25 25 LEU CA C 21 57.857 58.378 -0.521 1
1 248 . 15 1 1 A 25 25 LEU CB C 21 41.654 41.726 -0.072 1
1 251 . 15 1 1 A 25 25 LEU N N 21 119.808 121.460 -1.652 1
1 252 . 15 1 1 A 26 26 LEU H H 22 7.294 8.086 -0.792 1
1 253 . 15 1 1 A 26 26 LEU HA H 22 3.767 3.828 -0.061 1
1 262 . 15 1 1 A 26 26 LEU C C 22 178.696 178.563 0.133 1
1 263 . 15 1 1 A 26 26 LEU CA C 22 58.107 58.203 -0.096 1
1 264 . 15 1 1 A 26 26 LEU CB C 22 40.750 41.821 -1.071 1
1 267 . 15 1 1 A 26 26 LEU N N 22 117.901 119.027 -1.126 1
1 268 . 15 1 1 A 27 27 ASP H H 23 9.446 8.298 1.148 1
1 269 . 15 1 1 A 27 27 ASP HA H 23 4.608 4.511 0.097 1
1 272 . 15 1 1 A 27 27 ASP C C 23 180.104 178.539 1.565 1
1 273 . 15 1 1 A 27 27 ASP CA C 23 57.406 57.435 -0.029 1
1 274 . 15 1 1 A 27 27 ASP CB C 23 39.839 41.989 -2.150 1
1 275 . 15 1 1 A 27 27 ASP N N 23 119.946 118.638 1.308 1
1 276 . 15 1 1 A 28 28 LYS H H 24 7.915 8.038 -0.123 1
1 277 . 15 1 1 A 28 28 LYS HA H 24 4.079 3.988 0.091 1
1 286 . 15 1 1 A 28 28 LYS C C 24 178.414 179.244 -0.830 1
1 287 . 15 1 1 A 28 28 LYS CA C 24 59.295 59.608 -0.313 1
1 288 . 15 1 1 A 28 28 LYS CB C 24 32.342 32.193 0.149 1
1 289 . 15 1 1 A 28 28 LYS N N 24 122.484 118.991 3.493 1
1 290 . 15 1 1 A 29 29 LYS H H 25 7.763 7.617 0.146 1
1 291 . 15 1 1 A 29 29 LYS HA H 25 4.195 4.157 0.038 1
1 300 . 15 1 1 A 29 29 LYS C C 25 176.583 177.123 -0.540 1
1 301 . 15 1 1 A 29 29 LYS CA C 25 56.122 56.722 -0.600 1
1 302 . 15 1 1 A 29 29 LYS CB C 25 32.771 32.806 -0.035 1
1 303 . 15 1 1 A 29 29 LYS N N 25 116.683 116.022 0.661 1
1 304 . 15 1 1 A 30 30 GLY H H 26 7.961 8.072 -0.111 1
1 305 . 15 1 1 A 30 30 GLY HA2 H 26 4.005 3.998 0.007 1
1 306 . 15 1 1 A 30 30 GLY HA3 H 26 3.894 4.006 -0.112 1
1 307 . 15 1 1 A 30 30 GLY C C 26 174.223 173.937 0.286 1
1 308 . 15 1 1 A 30 30 GLY CA C 26 46.265 46.397 -0.132 1
1 309 . 15 1 1 A 30 30 GLY N N 26 108.209 107.204 1.005 1
1 310 . 15 1 1 A 31 31 VAL H H 27 7.440 7.325 0.115 1
1 311 . 15 1 1 A 31 31 VAL HA H 27 4.355 4.934 -0.579 1
1 319 . 15 1 1 A 31 31 VAL C C 27 174.294 173.974 0.320 1
1 320 . 15 1 1 A 31 31 VAL CA C 27 60.115 59.314 0.801 1
1 321 . 15 1 1 A 31 31 VAL CB C 27 33.737 36.008 -2.271 1
1 323 . 15 1 1 A 31 31 VAL N N 27 114.927 114.187 0.740 1
1 324 . 15 1 1 A 32 32 LYS H H 28 8.408 8.731 -0.323 1
1 325 . 15 1 1 A 32 32 LYS HA H 28 4.268 4.790 -0.522 1
1 334 . 15 1 1 A 32 32 LYS C C 28 175.385 175.242 0.143 1
1 335 . 15 1 1 A 32 32 LYS CA C 28 55.441 54.863 0.578 1
1 336 . 15 1 1 A 32 32 LYS CB C 28 33.269 34.177 -0.908 1
1 337 . 15 1 1 A 32 32 LYS N N 28 124.540 120.950 3.590 1
1 338 . 15 1 1 A 33 33 TYR H H 29 7.451 8.650 -1.199 1
1 339 . 15 1 1 A 33 33 TYR HA H 29 5.149 5.839 -0.690 1
1 346 . 15 1 1 A 33 33 TYR C C 29 173.730 174.816 -1.086 1
1 347 . 15 1 1 A 33 33 TYR CA C 29 57.198 55.325 1.873 1
1 348 . 15 1 1 A 33 33 TYR CB C 29 41.499 41.538 -0.039 1
1 353 . 15 1 1 A 33 33 TYR N N 29 117.090 123.769 -6.679 1
1 354 . 15 1 1 A 34 34 THR H H 30 9.106 8.957 0.149 1
1 355 . 15 1 1 A 34 34 THR HA H 30 4.368 4.917 -0.549 1
1 360 . 15 1 1 A 34 34 THR C C 30 171.336 173.307 -1.971 1
1 361 . 15 1 1 A 34 34 THR CA C 30 62.096 61.613 0.483 1
1 362 . 15 1 1 A 34 34 THR CB C 30 70.603 69.807 0.796 1
1 364 . 15 1 1 A 34 34 THR N N 30 119.343 117.171 2.172 1
1 365 . 15 1 1 A 35 35 ASP H H 31 8.772 8.812 -0.040 1
1 366 . 15 1 1 A 35 35 ASP HA H 31 5.283 5.026 0.257 1
1 369 . 15 1 1 A 35 35 ASP C C 31 175.245 175.357 -0.112 1
1 370 . 15 1 1 A 35 35 ASP CA C 31 52.549 53.390 -0.841 1
1 371 . 15 1 1 A 35 35 ASP CB C 31 42.286 41.628 0.658 1
1 372 . 15 1 1 A 35 35 ASP N N 31 129.184 126.927 2.257 1
1 373 . 15 1 1 A 36 36 ILE H H 32 9.283 9.108 0.175 1
1 374 . 15 1 1 A 36 36 ILE HA H 32 4.081 4.552 -0.471 1
1 384 . 15 1 1 A 36 36 ILE C C 32 175.854 175.267 0.587 1
1 385 . 15 1 1 A 36 36 ILE CA C 32 60.226 60.135 0.091 1
1 386 . 15 1 1 A 36 36 ILE CB C 32 39.998 38.799 1.199 1
1 388 . 15 1 1 A 36 36 ILE N N 32 129.240 126.059 3.181 1
1 389 . 15 1 1 A 37 37 ASP H H 33 8.298 8.846 -0.548 1
1 390 . 15 1 1 A 37 37 ASP HA H 33 4.648 4.723 -0.075 1
1 393 . 15 1 1 A 37 37 ASP CA C 33 54.101 54.362 -0.261 1
1 394 . 15 1 1 A 37 37 ASP CB C 33 40.536 41.460 -0.924 1
1 395 . 15 1 1 A 37 37 ASP N N 33 125.570 128.805 -3.235 1
1 396 . 15 1 1 A 38 38 ALA H H 34 9.840 8.746 1.094 1
1 397 . 15 1 1 A 38 38 ALA HA H 34 4.620 4.031 0.589 1
1 401 . 15 1 1 A 38 38 ALA C C 34 175.185 177.877 -2.692 1
1 402 . 15 1 1 A 38 38 ALA CA C 34 51.239 54.920 -3.681 1
1 403 . 15 1 1 A 38 38 ALA CB C 34 20.627 18.482 2.145 1
1 404 . 15 1 1 A 38 38 ALA N N 34 134.980 124.576 10.404 1
1 405 . 15 1 1 A 39 39 SER H H 35 8.679 7.558 1.121 1
1 406 . 15 1 1 A 39 39 SER HA H 35 4.189 4.313 -0.124 1
1 409 . 15 1 1 A 39 39 SER C C 35 175.713 175.165 0.548 1
1 410 . 15 1 1 A 39 39 SER CA C 35 60.956 58.730 2.226 1
1 411 . 15 1 1 A 39 39 SER CB C 35 64.425 63.955 0.470 1
1 412 . 15 1 1 A 39 39 SER N N 35 111.865 113.998 -2.133 1
1 413 . 15 1 1 A 40 40 THR H H 36 8.438 8.821 -0.383 1
1 414 . 15 1 1 A 40 40 THR HA H 36 4.672 4.073 0.599 1
1 419 . 15 1 1 A 40 40 THR CA C 36 59.859 65.197 -5.338 1
1 421 . 15 1 1 A 40 40 THR N N 36 114.335 124.032 -9.697 1
1 422 . 15 1 1 A 41 41 SER C C 37 174.129 175.779 -1.650 1
1 423 . 15 1 1 A 41 41 SER CA C 37 60.964 62.354 -1.390 1
1 424 . 15 1 1 A 41 41 SER CB C 37 63.605 62.826 0.779 1
1 425 . 15 1 1 A 42 42 LEU H H 38 8.643 7.807 0.836 1
1 426 . 15 1 1 A 42 42 LEU HA H 38 4.679 4.411 0.268 1
1 436 . 15 1 1 A 42 42 LEU C C 38 176.347 177.931 -1.584 1
1 437 . 15 1 1 A 42 42 LEU CA C 38 54.842 55.820 -0.978 1
1 438 . 15 1 1 A 42 42 LEU CB C 38 41.117 43.696 -2.579 1
1 439 . 15 1 1 A 42 42 LEU N N 38 121.245 118.100 3.145 1
1 440 . 15 1 1 A 43 43 ARG H H 39 7.583 8.532 -0.949 1
1 441 . 15 1 1 A 43 43 ARG HA H 39 4.173 3.937 0.236 1
1 448 . 15 1 1 A 43 43 ARG C C 39 175.925 178.258 -2.333 1
1 449 . 15 1 1 A 43 43 ARG CA C 39 60.907 59.686 1.221 1
1 450 . 15 1 1 A 43 43 ARG N N 39 123.341 120.652 2.689 1
1 451 . 15 1 1 A 44 44 GLN H H 40 8.203 8.120 0.083 1
1 452 . 15 1 1 A 44 44 GLN HA H 40 3.974 4.075 -0.101 1
1 459 . 15 1 1 A 44 44 GLN C C 40 175.608 178.450 -2.842 1
1 460 . 15 1 1 A 44 44 GLN CA C 40 58.622 59.110 -0.488 1
1 461 . 15 1 1 A 44 44 GLN CB C 40 28.591 28.082 0.509 1
1 464 . 15 1 1 A 44 44 GLN N N 40 114.940 118.040 -3.100 1
1 466 . 15 1 1 A 45 45 GLU H H 41 7.616 8.006 -0.390 1
1 467 . 15 1 1 A 45 45 GLU HA H 41 3.947 4.046 -0.099 1
1 472 . 15 1 1 A 45 45 GLU CA C 41 59.009 59.377 -0.368 1
1 473 . 15 1 1 A 45 45 GLU CB C 41 30.110 29.895 0.215 1
1 474 . 15 1 1 A 45 45 GLU N N 41 120.916 119.525 1.391 1
1 475 . 15 1 1 A 46 46 MET H H 42 7.474 8.294 -0.820 1
1 476 . 15 1 1 A 46 46 MET HA H 42 4.778 4.227 0.551 1
1 483 . 15 1 1 A 46 46 MET C C 42 176.347 178.236 -1.889 1
1 484 . 15 1 1 A 46 46 MET CA C 42 59.567 58.060 1.507 1
1 485 . 15 1 1 A 46 46 MET CB C 42 30.294 33.062 -2.768 1
1 487 . 15 1 1 A 46 46 MET N N 42 118.736 119.064 -0.328 1
1 488 . 15 1 1 A 47 47 VAL H H 43 8.006 8.707 -0.701 1
1 489 . 15 1 1 A 47 47 VAL HA H 43 3.624 3.511 0.113 1
1 497 . 15 1 1 A 47 47 VAL C C 43 176.911 177.189 -0.278 1
1 498 . 15 1 1 A 47 47 VAL CA C 43 65.362 65.097 0.265 1
1 499 . 15 1 1 A 47 47 VAL CB C 43 31.859 30.522 1.337 1
1 501 . 15 1 1 A 47 47 VAL N N 43 116.804 118.726 -1.922 1
1 502 . 15 1 1 A 48 48 GLN H H 44 7.935 7.849 0.086 1
1 503 . 15 1 1 A 48 48 GLN HA H 44 3.972 4.011 -0.039 1
1 510 . 15 1 1 A 48 48 GLN C C 44 178.636 178.434 0.202 1
1 511 . 15 1 1 A 48 48 GLN CA C 44 58.472 59.009 -0.537 1
1 512 . 15 1 1 A 48 48 GLN CB C 44 30.542 28.504 2.038 1
1 513 . 15 1 1 A 48 48 GLN N N 44 117.704 121.970 -4.266 1
1 515 . 15 1 1 A 49 49 ARG H H 45 8.100 8.106 -0.006 1
1 516 . 15 1 1 A 49 49 ARG HA H 45 3.906 4.098 -0.192 1
1 521 . 15 1 1 A 49 49 ARG CA C 45 59.397 58.389 1.008 1
1 522 . 15 1 1 A 49 49 ARG CB C 45 29.993 29.930 0.063 1
1 523 . 15 1 1 A 49 49 ARG N N 45 120.984 120.075 0.909 1
1 524 . 15 1 1 A 50 50 ALA H H 46 8.279 7.629 0.650 1
1 525 . 15 1 1 A 50 50 ALA HA H 46 3.782 4.211 -0.429 1
1 529 . 15 1 1 A 50 50 ALA C C 46 178.073 178.528 -0.455 1
1 530 . 15 1 1 A 50 50 ALA CA C 46 51.408 53.826 -2.418 1
1 531 . 15 1 1 A 50 50 ALA CB C 46 18.883 19.023 -0.140 1
1 532 . 15 1 1 A 50 50 ALA N N 46 118.254 121.759 -3.505 1
1 533 . 15 1 1 A 51 51 ASN H H 47 7.706 7.935 -0.229 1
1 534 . 15 1 1 A 51 51 ASN HA H 47 4.420 5.056 -0.636 1
1 539 . 15 1 1 A 51 51 ASN C C 47 174.974 176.406 -1.432 1
1 540 . 15 1 1 A 51 51 ASN CA C 47 54.303 52.865 1.438 1
1 541 . 15 1 1 A 51 51 ASN CB C 47 37.804 40.992 -3.188 1
1 543 . 15 1 1 A 51 51 ASN N N 47 115.277 112.335 2.942 1
1 545 . 15 1 1 A 52 52 GLY H H 48 8.702 8.898 -0.196 1
1 546 . 15 1 1 A 52 52 GLY HA2 H 48 4.267 3.930 0.337 1
1 547 . 15 1 1 A 52 52 GLY HA3 H 48 3.379 3.943 -0.564 1
1 548 . 15 1 1 A 52 52 GLY CA C 48 45.176 46.456 -1.280 1
1 549 . 15 1 1 A 52 52 GLY N N 48 104.035 109.865 -5.830 1
1 550 . 15 1 1 A 53 53 ARG H H 49 7.116 7.689 -0.573 1
1 551 . 15 1 1 A 53 53 ARG HA H 49 4.144 4.605 -0.461 1
1 558 . 15 1 1 A 53 53 ARG C C 49 176.101 173.777 2.324 1
1 559 . 15 1 1 A 53 53 ARG CA C 49 57.285 55.525 1.760 1
1 560 . 15 1 1 A 53 53 ARG N N 49 121.384 118.188 3.196 1
1 561 . 15 1 1 A 54 54 ASN H H 50 7.958 8.628 -0.670 1
1 562 . 15 1 1 A 54 54 ASN HA H 50 4.589 5.440 -0.851 1
1 567 . 15 1 1 A 54 54 ASN CA C 50 51.568 52.205 -0.637 1
1 568 . 15 1 1 A 54 54 ASN CB C 50 38.018 39.999 -1.981 1
1 570 . 15 1 1 A 54 54 ASN N N 50 116.546 123.806 -7.260 1
1 572 . 15 1 1 A 55 55 THR H H 51 6.818 8.630 -1.812 1
1 573 . 15 1 1 A 55 55 THR HA H 51 4.283 4.949 -0.666 1
1 578 . 15 1 1 A 55 55 THR C C 51 172.509 173.473 -0.964 1
1 579 . 15 1 1 A 55 55 THR CA C 51 59.829 60.718 -0.889 1
1 580 . 15 1 1 A 55 55 THR CB C 51 70.400 71.754 -1.354 1
1 582 . 15 1 1 A 55 55 THR N N 51 108.070 115.242 -7.172 1
1 583 . 15 1 1 A 56 56 PHE H H 52 8.444 8.648 -0.204 1
1 584 . 15 1 1 A 56 56 PHE HA H 52 4.730 4.769 -0.039 1
1 592 . 15 1 1 A 56 56 PHE CA C 52 55.529 56.674 -1.145 1
1 593 . 15 1 1 A 56 56 PHE N N 52 116.926 120.296 -3.370 1
1 594 . 15 1 1 A 57 57 PRO CA C 53 62.827 63.165 -0.338 1
1 595 . 15 1 1 A 57 57 PRO CB C 53 35.258 32.724 2.534 1
1 596 . 15 1 1 A 58 58 GLN H H 54 8.070 8.647 -0.577 1
1 597 . 15 1 1 A 58 58 GLN HA H 54 4.853 5.222 -0.369 1
1 604 . 15 1 1 A 58 58 GLN C C 54 175.291 173.525 1.766 1
1 605 . 15 1 1 A 58 58 GLN CA C 54 55.071 54.459 0.612 1
1 606 . 15 1 1 A 58 58 GLN CB C 54 32.237 32.135 0.102 1
1 607 . 15 1 1 A 58 58 GLN N N 54 113.697 116.862 -3.165 1
1 609 . 15 1 1 A 59 59 ILE H H 55 8.753 8.845 -0.092 1
1 610 . 15 1 1 A 59 59 ILE HA H 55 5.089 4.695 0.394 1
1 620 . 15 1 1 A 59 59 ILE C C 55 174.164 175.021 -0.857 1
1 621 . 15 1 1 A 59 59 ILE CA C 55 61.194 60.359 0.835 1
1 622 . 15 1 1 A 59 59 ILE CB C 55 40.657 39.336 1.321 1
1 625 . 15 1 1 A 59 59 ILE N N 55 122.202 121.600 0.602 1
1 626 . 15 1 1 A 60 60 PHE H H 56 9.564 9.438 0.126 1
1 627 . 15 1 1 A 60 60 PHE HA H 56 5.390 5.121 0.269 1
1 635 . 15 1 1 A 60 60 PHE C C 56 174.305 175.693 -1.388 1
1 636 . 15 1 1 A 60 60 PHE CA C 56 56.614 57.442 -0.828 1
1 637 . 15 1 1 A 60 60 PHE CB C 56 42.488 40.971 1.517 1
1 638 . 15 1 1 A 60 60 PHE N N 56 127.604 126.286 1.318 1
1 639 . 15 1 1 A 61 61 ILE H H 57 9.231 8.564 0.667 1
1 640 . 15 1 1 A 61 61 ILE HA H 57 4.483 4.853 -0.370 1
1 650 . 15 1 1 A 61 61 ILE C C 57 176.418 175.552 0.866 1
1 651 . 15 1 1 A 61 61 ILE CA C 57 60.800 59.120 1.680 1
1 652 . 15 1 1 A 61 61 ILE CB C 57 39.431 41.062 -1.631 1
1 656 . 15 1 1 A 61 61 ILE N N 57 121.606 118.048 3.558 1
1 657 . 15 1 1 A 62 62 GLY H H 58 9.118 9.472 -0.354 1
1 658 . 15 1 1 A 62 62 GLY HA2 H 58 4.092 3.888 0.204 1
1 659 . 15 1 1 A 62 62 GLY HA3 H 58 3.951 3.894 0.057 1
1 660 . 15 1 1 A 62 62 GLY C C 58 174.058 174.041 0.017 1
1 661 . 15 1 1 A 62 62 GLY CA C 58 47.516 47.047 0.469 1
1 662 . 15 1 1 A 62 62 GLY N N 58 118.483 114.082 4.401 1
1 663 . 15 1 1 A 63 63 ASP H H 59 8.944 8.731 0.213 1
1 664 . 15 1 1 A 63 63 ASP HA H 59 4.762 4.394 0.368 1
1 667 . 15 1 1 A 63 63 ASP C C 59 175.220 174.418 0.802 1
1 668 . 15 1 1 A 63 63 ASP CA C 59 54.467 55.780 -1.313 1
1 669 . 15 1 1 A 63 63 ASP CB C 59 40.913 39.530 1.383 1
1 670 . 15 1 1 A 63 63 ASP N N 59 125.981 111.921 14.060 1
1 671 . 15 1 1 A 64 64 TYR H H 60 8.332 8.108 0.224 1
1 672 . 15 1 1 A 64 64 TYR HA H 60 4.600 4.900 -0.300 1
1 679 . 15 1 1 A 64 64 TYR C C 60 174.023 173.955 0.068 1
1 680 . 15 1 1 A 64 64 TYR CA C 60 57.761 57.240 0.521 1
1 681 . 15 1 1 A 64 64 TYR CB C 60 33.473 40.923 -7.450 1
1 682 . 15 1 1 A 64 64 TYR N N 60 122.443 119.057 3.386 1
1 683 . 15 1 1 A 65 65 HIS H H 61 8.625 8.117 0.508 1
1 684 . 15 1 1 A 65 65 HIS HA H 61 4.200 3.821 0.379 1
1 689 . 15 1 1 A 65 65 HIS C C 61 171.910 174.350 -2.440 1
1 690 . 15 1 1 A 65 65 HIS CA C 61 53.347 55.114 -1.767 1
1 691 . 15 1 1 A 65 65 HIS CB C 61 28.830 29.804 -0.974 1
1 692 . 15 1 1 A 65 65 HIS N N 61 129.863 122.514 7.349 1
1 693 . 15 1 1 A 66 66 VAL H H 62 8.059 8.853 -0.794 1
1 694 . 15 1 1 A 66 66 VAL HA H 62 3.316 3.705 -0.389 1
1 702 . 15 1 1 A 66 66 VAL CA C 62 64.194 63.710 0.484 1
1 703 . 15 1 1 A 66 66 VAL CB C 62 32.770 32.514 0.256 1
1 705 . 15 1 1 A 66 66 VAL N N 62 129.219 120.657 8.562 1
1 706 . 15 1 1 A 67 67 GLY H H 63 6.327 7.433 -1.106 1
1 707 . 15 1 1 A 67 67 GLY HA2 H 63 4.503 4.164 0.339 1
1 708 . 15 1 1 A 67 67 GLY HA3 H 63 2.870 4.172 -1.302 1
1 709 . 15 1 1 A 67 67 GLY C C 63 172.156 172.538 -0.382 1
1 710 . 15 1 1 A 67 67 GLY CA C 63 43.551 45.715 -2.164 1
1 711 . 15 1 1 A 67 67 GLY N N 63 102.548 106.081 -3.533 1
1 712 . 15 1 1 A 68 68 GLY H H 64 9.095 8.587 0.508 1
1 713 . 15 1 1 A 68 68 GLY HA2 H 64 4.863 4.140 0.723 1
1 714 . 15 1 1 A 68 68 GLY HA3 H 64 3.821 4.147 -0.326 1
1 715 . 15 1 1 A 68 68 GLY C C 64 172.509 174.912 -2.403 1
1 716 . 15 1 1 A 68 68 GLY CA C 64 43.870 44.524 -0.654 1
1 717 . 15 1 1 A 68 68 GLY N N 64 110.080 113.325 -3.245 1
1 718 . 15 1 1 A 69 69 CYS H H 65 8.398 8.885 -0.487 1
1 719 . 15 1 1 A 69 69 CYS HA H 65 3.846 4.167 -0.321 1
1 722 . 15 1 1 A 69 69 CYS C C 65 173.741 177.209 -3.468 1
1 723 . 15 1 1 A 69 69 CYS CA C 65 62.944 63.231 -0.287 1
1 724 . 15 1 1 A 69 69 CYS CB C 65 45.022 27.320 17.702 1
1 725 . 15 1 1 A 69 69 CYS N N 65 118.292 119.549 -1.257 1
1 726 . 15 1 1 A 70 70 ASP H H 66 9.110 8.543 0.567 1
1 727 . 15 1 1 A 70 70 ASP HA H 66 5.745 4.373 1.372 1
1 730 . 15 1 1 A 70 70 ASP C C 66 178.777 177.688 1.089 1
1 731 . 15 1 1 A 70 70 ASP CA C 66 57.437 56.769 0.668 1
1 732 . 15 1 1 A 70 70 ASP CB C 66 40.016 39.745 0.271 1
1 733 . 15 1 1 A 70 70 ASP N N 66 123.178 120.342 2.836 1
1 734 . 15 1 1 A 71 71 ASP H H 67 7.301 8.356 -1.055 1
1 735 . 15 1 1 A 71 71 ASP HA H 67 4.362 4.317 0.045 1
1 738 . 15 1 1 A 71 71 ASP C C 67 177.474 178.543 -1.069 1
1 739 . 15 1 1 A 71 71 ASP CA C 67 57.381 57.841 -0.460 1
1 740 . 15 1 1 A 71 71 ASP CB C 67 41.503 41.773 -0.270 1
1 741 . 15 1 1 A 71 71 ASP N N 67 119.848 120.312 -0.464 1
1 742 . 15 1 1 A 72 72 LEU H H 68 7.805 7.647 0.158 1
1 743 . 15 1 1 A 72 72 LEU HA H 68 3.822 4.040 -0.218 1
1 753 . 15 1 1 A 72 72 LEU C C 68 177.509 178.534 -1.025 1
1 754 . 15 1 1 A 72 72 LEU CA C 68 58.446 57.895 0.551 1
1 755 . 15 1 1 A 72 72 LEU CB C 68 42.524 41.516 1.008 1
1 757 . 15 1 1 A 72 72 LEU N N 68 121.720 117.890 3.830 1
1 758 . 15 1 1 A 73 73 TYR H H 69 8.229 7.865 0.364 1
1 759 . 15 1 1 A 73 73 TYR HA H 69 3.772 4.373 -0.601 1
1 766 . 15 1 1 A 73 73 TYR C C 69 177.721 178.178 -0.457 1
1 767 . 15 1 1 A 73 73 TYR CA C 69 62.867 60.886 1.981 1
1 768 . 15 1 1 A 73 73 TYR CB C 69 38.215 38.076 0.139 1
1 769 . 15 1 1 A 73 73 TYR N N 69 116.501 120.288 -3.787 1
1 770 . 15 1 1 A 74 74 ALA H H 70 8.275 8.659 -0.384 1
1 771 . 15 1 1 A 74 74 ALA HA H 70 4.286 4.123 0.163 1
1 775 . 15 1 1 A 74 74 ALA C C 70 180.045 179.907 0.138 1
1 776 . 15 1 1 A 74 74 ALA CA C 70 55.701 55.222 0.479 1
1 777 . 15 1 1 A 74 74 ALA CB C 70 17.944 18.338 -0.394 1
1 778 . 15 1 1 A 74 74 ALA N N 70 122.883 121.665 1.218 1
1 779 . 15 1 1 A 75 75 LEU H H 71 7.558 8.320 -0.762 1
1 780 . 15 1 1 A 75 75 LEU HA H 71 3.975 3.876 0.099 1
1 790 . 15 1 1 A 75 75 LEU C C 71 179.024 179.129 -0.105 1
1 791 . 15 1 1 A 75 75 LEU CA C 71 57.994 58.214 -0.220 1
1 792 . 15 1 1 A 75 75 LEU CB C 71 42.836 41.714 1.122 1
1 793 . 15 1 1 A 75 75 LEU N N 71 117.133 118.025 -0.892 1
1 794 . 15 1 1 A 76 76 GLU H H 72 7.587 8.352 -0.765 1
1 795 . 15 1 1 A 76 76 GLU HA H 72 4.473 3.872 0.601 1
1 800 . 15 1 1 A 76 76 GLU C C 72 179.270 178.419 0.851 1
1 801 . 15 1 1 A 76 76 GLU CA C 72 58.296 59.583 -1.287 1
1 802 . 15 1 1 A 76 76 GLU CB C 72 28.457 29.233 -0.776 1
1 803 . 15 1 1 A 76 76 GLU N N 72 121.576 119.165 2.411 1
1 804 . 15 1 1 A 77 77 ASN H H 73 8.863 7.916 0.947 1
1 805 . 15 1 1 A 77 77 ASN HA H 73 4.511 4.477 0.034 1
1 810 . 15 1 1 A 77 77 ASN C C 73 176.664 177.158 -0.494 1
1 811 . 15 1 1 A 77 77 ASN CA C 73 55.944 55.436 0.508 1
1 812 . 15 1 1 A 77 77 ASN CB C 73 38.660 38.532 0.128 1
1 814 . 15 1 1 A 77 77 ASN N N 73 120.232 117.844 2.388 1
1 816 . 15 1 1 A 78 78 LYS H H 74 7.617 7.643 -0.026 1
1 817 . 15 1 1 A 78 78 LYS HA H 74 4.426 4.289 0.137 1
1 826 . 15 1 1 A 78 78 LYS C C 74 176.312 176.451 -0.139 1
1 827 . 15 1 1 A 78 78 LYS CA C 74 55.863 56.280 -0.417 1
1 828 . 15 1 1 A 78 78 LYS CB C 74 33.482 33.052 0.430 1
1 829 . 15 1 1 A 78 78 LYS N N 74 115.597 116.486 -0.889 1
1 830 . 15 1 1 A 79 79 GLY H H 75 8.023 7.619 0.404 1
1 831 . 15 1 1 A 79 79 GLY HA2 H 75 4.060 3.992 0.068 1
1 832 . 15 1 1 A 79 79 GLY HA3 H 75 4.060 3.996 0.064 1
1 833 . 15 1 1 A 79 79 GLY C C 75 175.009 175.580 -0.571 1
1 834 . 15 1 1 A 79 79 GLY CA C 75 46.234 45.081 1.153 1
1 835 . 15 1 1 A 79 79 GLY N N 75 109.073 105.733 3.340 1
1 836 . 15 1 1 A 80 80 LYS H H 76 8.091 8.416 -0.325 1
1 837 . 15 1 1 A 80 80 LYS HA H 76 4.422 4.380 0.042 1
1 846 . 15 1 1 A 80 80 LYS C C 76 173.037 177.224 -4.187 1
1 847 . 15 1 1 A 80 80 LYS CA C 76 55.679 56.681 -1.002 1
1 848 . 15 1 1 A 80 80 LYS CB C 76 35.038 32.766 2.272 1
1 849 . 15 1 1 A 80 80 LYS N N 76 116.888 119.974 -3.086 1
1 850 . 15 1 1 A 81 81 LEU H H 77 7.411 7.707 -0.296 1
1 851 . 15 1 1 A 81 81 LEU HA H 77 4.003 3.938 0.065 1
1 861 . 15 1 1 A 81 81 LEU C C 77 177.333 177.920 -0.587 1
1 862 . 15 1 1 A 81 81 LEU CA C 77 57.512 58.252 -0.740 1
1 863 . 15 1 1 A 81 81 LEU CB C 77 40.676 41.427 -0.751 1
1 864 . 15 1 1 A 81 81 LEU N N 77 122.079 122.158 -0.079 1
1 865 . 15 1 1 A 82 82 ASP H H 78 8.613 8.172 0.441 1
1 866 . 15 1 1 A 82 82 ASP HA H 78 4.232 4.325 -0.093 1
1 869 . 15 1 1 A 82 82 ASP C C 78 178.354 178.262 0.092 1
1 870 . 15 1 1 A 82 82 ASP CA C 78 58.438 57.688 0.750 1
1 871 . 15 1 1 A 82 82 ASP CB C 78 39.890 41.950 -2.060 1
1 872 . 15 1 1 A 82 82 ASP N N 78 118.813 119.309 -0.496 1
1 873 . 15 1 1 A 83 83 SER H H 79 7.886 7.597 0.289 1
1 874 . 15 1 1 A 83 83 SER HA H 79 4.164 4.205 -0.041 1
1 877 . 15 1 1 A 83 83 SER C C 79 176.171 177.457 -1.286 1
1 878 . 15 1 1 A 83 83 SER CA C 79 61.285 61.294 -0.009 1
1 879 . 15 1 1 A 83 83 SER CB C 79 62.632 62.922 -0.290 1
1 880 . 15 1 1 A 83 83 SER N N 79 113.338 114.153 -0.815 1
1 881 . 15 1 1 A 84 84 LEU H H 80 7.354 8.292 -0.938 1
1 882 . 15 1 1 A 84 84 LEU HA H 80 4.152 3.935 0.217 1
1 892 . 15 1 1 A 84 84 LEU C C 80 173.671 178.919 -5.248 1
1 893 . 15 1 1 A 84 84 LEU CA C 80 56.841 58.261 -1.420 1
1 894 . 15 1 1 A 84 84 LEU CB C 80 42.682 42.043 0.639 1
1 897 . 15 1 1 A 84 84 LEU N N 80 121.453 121.851 -0.398 1
1 898 . 15 1 1 A 85 85 LEU H H 81 7.655 8.764 -1.109 1
1 899 . 15 1 1 A 85 85 LEU HA H 81 4.113 3.952 0.161 1
1 909 . 15 1 1 A 85 85 LEU C C 81 177.333 178.847 -1.514 1
1 910 . 15 1 1 A 85 85 LEU CA C 81 55.748 57.975 -2.227 1
1 911 . 15 1 1 A 85 85 LEU CB C 81 41.707 40.941 0.766 1
1 914 . 15 1 1 A 85 85 LEU N N 81 115.497 118.196 -2.699 1
1 915 . 15 1 1 A 86 86 GLN H H 82 7.414 8.112 -0.698 1
1 916 . 15 1 1 A 86 86 GLN HA H 82 4.177 4.097 0.080 1
1 923 . 15 1 1 A 86 86 GLN C C 82 175.537 177.546 -2.009 1
1 924 . 15 1 1 A 86 86 GLN CA C 82 56.986 58.541 -1.555 1
1 925 . 15 1 1 A 86 86 GLN CB C 82 29.187 28.294 0.893 1
1 928 . 15 1 1 A 86 86 GLN N N 82 117.020 118.551 -1.531 1
1 930 . 15 1 1 A 87 87 ASP H H 83 8.092 8.080 0.012 1
1 931 . 15 1 1 A 87 87 ASP HA H 83 4.672 4.592 0.080 1
1 934 . 15 1 1 A 87 87 ASP C C 83 177.263 177.914 -0.651 1
1 935 . 15 1 1 A 87 87 ASP CA C 83 54.394 56.447 -2.053 1
1 936 . 15 1 1 A 87 87 ASP CB C 83 40.722 41.149 -0.427 1
1 937 . 15 1 1 A 87 87 ASP N N 83 119.072 117.978 1.094 1
1 938 . 15 1 1 A 88 88 VAL H H 84 7.692 7.739 -0.047 1
1 939 . 15 1 1 A 88 88 VAL HA H 84 4.175 4.021 0.154 1
1 947 . 15 1 1 A 88 88 VAL C C 84 174.164 176.795 -2.631 1
1 948 . 15 1 1 A 88 88 VAL CA C 84 62.165 65.094 -2.929 1
1 949 . 15 1 1 A 88 88 VAL CB C 84 32.284 31.696 0.588 1
1 952 . 15 1 1 A 88 88 VAL N N 84 118.778 113.835 4.943 1
1 1 . 16 1 1 A 2 2 PRO C C -2 177.005 175.902 1.103 1
1 2 . 16 1 1 A 2 2 PRO CA C -2 63.481 62.447 1.034 1
1 3 . 16 1 1 A 2 2 PRO CB C -2 32.244 33.340 -1.096 1
1 4 . 16 1 1 A 3 3 GLY H H -1 8.665 8.308 0.357 1
1 5 . 16 1 1 A 3 3 GLY HA2 H -1 3.985 4.226 -0.241 1
1 6 . 16 1 1 A 3 3 GLY HA3 H -1 3.985 4.229 -0.244 1
1 7 . 16 1 1 A 3 3 GLY C C -1 173.706 172.170 1.536 1
1 8 . 16 1 1 A 3 3 GLY CA C -1 45.291 45.350 -0.059 1
1 9 . 16 1 1 A 3 3 GLY N N -1 109.788 107.258 2.530 1
1 10 . 16 1 1 A 4 4 SER H H 0 8.190 8.641 -0.451 1
1 11 . 16 1 1 A 4 4 SER HA H 0 4.477 5.279 -0.802 1
1 14 . 16 1 1 A 4 4 SER C C 0 175.738 173.313 2.425 1
1 15 . 16 1 1 A 4 4 SER CA C 0 58.322 57.740 0.582 1
1 16 . 16 1 1 A 4 4 SER CB C 0 63.927 65.410 -1.483 1
1 17 . 16 1 1 A 4 4 SER N N 0 115.613 116.831 -1.218 1
1 18 . 16 1 1 A 5 5 MET H H 1 8.458 8.824 -0.366 1
1 19 . 16 1 1 A 5 5 MET HA H 1 4.320 5.119 -0.799 1
1 27 . 16 1 1 A 5 5 MET C C 1 173.977 174.818 -0.841 1
1 28 . 16 1 1 A 5 5 MET CA C 1 56.011 54.135 1.876 1
1 29 . 16 1 1 A 5 5 MET CB C 1 33.797 35.761 -1.964 1
1 30 . 16 1 1 A 5 5 MET N N 1 122.334 121.891 0.443 1
1 31 . 16 1 1 A 6 6 LYS H H 2 8.445 8.200 0.245 1
1 32 . 16 1 1 A 6 6 LYS HA H 2 4.566 4.601 -0.035 1
1 39 . 16 1 1 A 6 6 LYS C C 2 174.575 175.736 -1.161 1
1 40 . 16 1 1 A 6 6 LYS CA C 2 55.887 56.082 -0.195 1
1 41 . 16 1 1 A 6 6 LYS CB C 2 33.848 34.040 -0.192 1
1 42 . 16 1 1 A 6 6 LYS N N 2 122.229 122.010 0.219 1
1 43 . 16 1 1 A 7 7 GLU H H 3 8.324 9.211 -0.887 1
1 44 . 16 1 1 A 7 7 GLU HA H 3 4.440 5.075 -0.635 1
1 49 . 16 1 1 A 7 7 GLU C C 3 175.491 173.889 1.602 1
1 50 . 16 1 1 A 7 7 GLU CA C 3 55.680 54.724 0.956 1
1 51 . 16 1 1 A 7 7 GLU CB C 3 31.513 33.379 -1.866 1
1 52 . 16 1 1 A 7 7 GLU N N 3 121.539 117.378 4.161 1
1 53 . 16 1 1 A 8 8 ILE H H 4 9.014 8.948 0.066 1
1 54 . 16 1 1 A 8 8 ILE HA H 4 5.025 5.098 -0.073 1
1 64 . 16 1 1 A 8 8 ILE C C 4 174.199 173.982 0.217 1
1 65 . 16 1 1 A 8 8 ILE CA C 4 60.927 59.598 1.329 1
1 66 . 16 1 1 A 8 8 ILE CB C 4 38.759 41.024 -2.265 1
1 69 . 16 1 1 A 8 8 ILE N N 4 127.255 123.513 3.742 1
1 70 . 16 1 1 A 9 9 ILE H H 5 9.104 9.501 -0.397 1
1 71 . 16 1 1 A 9 9 ILE HA H 5 4.900 4.983 -0.083 1
1 81 . 16 1 1 A 9 9 ILE C C 5 173.906 174.805 -0.899 1
1 82 . 16 1 1 A 9 9 ILE CA C 5 59.727 59.346 0.381 1
1 83 . 16 1 1 A 9 9 ILE CB C 5 41.627 42.202 -0.575 1
1 87 . 16 1 1 A 9 9 ILE N N 5 128.326 128.534 -0.208 1
1 88 . 16 1 1 A 10 10 LEU H H 6 8.891 8.970 -0.079 1
1 89 . 16 1 1 A 10 10 LEU HA H 6 5.157 5.222 -0.065 1
1 96 . 16 1 1 A 10 10 LEU CA C 6 54.076 53.013 1.063 1
1 97 . 16 1 1 A 10 10 LEU CB C 6 44.892 43.729 1.163 1
1 100 . 16 1 1 A 10 10 LEU N N 6 125.779 124.486 1.293 1
1 101 . 16 1 1 A 11 11 TYR H H 7 9.099 9.021 0.078 1
1 102 . 16 1 1 A 11 11 TYR HA H 7 4.336 5.273 -0.937 1
1 109 . 16 1 1 A 11 11 TYR C C 7 177.041 175.337 1.704 1
1 110 . 16 1 1 A 11 11 TYR CA C 7 57.379 56.929 0.450 1
1 111 . 16 1 1 A 11 11 TYR CB C 7 40.345 39.254 1.091 1
1 112 . 16 1 1 A 12 12 THR H H 8 9.286 8.611 0.675 1
1 113 . 16 1 1 A 12 12 THR HA H 8 5.105 4.975 0.130 1
1 118 . 16 1 1 A 12 12 THR C C 8 172.005 173.189 -1.184 1
1 119 . 16 1 1 A 12 12 THR CA C 8 60.604 61.042 -0.438 1
1 120 . 16 1 1 A 12 12 THR CB C 8 73.108 71.003 2.105 1
1 122 . 16 1 1 A 12 12 THR N N 8 111.938 114.928 -2.990 1
1 123 . 16 1 1 A 13 13 ARG H H 9 7.513 8.557 -1.044 1
1 124 . 16 1 1 A 13 13 ARG HA H 9 4.826 4.805 0.021 1
1 131 . 16 1 1 A 13 13 ARG CA C 9 52.836 54.276 -1.440 1
1 132 . 16 1 1 A 13 13 ARG CB C 9 31.436 31.072 0.364 1
1 133 . 16 1 1 A 13 13 ARG N N 9 114.036 120.618 -6.582 1
1 134 . 16 1 1 A 14 14 PRO HA H 10 4.294 4.503 -0.209 1
1 141 . 16 1 1 A 14 14 PRO C C 10 176.477 177.160 -0.683 1
1 142 . 16 1 1 A 14 14 PRO CA C 10 63.464 64.265 -0.801 1
1 143 . 16 1 1 A 14 14 PRO CB C 10 32.615 31.661 0.954 1
1 144 . 16 1 1 A 15 15 ASN H H 11 8.987 8.245 0.742 1
1 145 . 16 1 1 A 15 15 ASN HA H 11 4.240 4.930 -0.690 1
1 150 . 16 1 1 A 15 15 ASN C C 11 176.266 173.978 2.288 1
1 151 . 16 1 1 A 15 15 ASN CA C 11 54.464 52.172 2.292 1
1 152 . 16 1 1 A 15 15 ASN CB C 11 37.500 37.327 0.173 1
1 154 . 16 1 1 A 15 15 ASN N N 11 115.463 115.453 0.010 1
1 156 . 16 1 1 A 16 16 CYS H H 12 7.324 7.810 -0.486 1
1 157 . 16 1 1 A 16 16 CYS HA H 12 4.931 4.980 -0.049 1
1 160 . 16 1 1 A 16 16 CYS CA C 12 56.277 56.643 -0.366 1
1 161 . 16 1 1 A 16 16 CYS N N 12 123.174 118.089 5.085 1
1 162 . 16 1 1 A 17 17 PRO C C 13 178.555 176.741 1.814 1
1 163 . 16 1 1 A 17 17 PRO CA C 13 64.409 64.156 0.253 1
1 164 . 16 1 1 A 17 17 PRO CB C 13 33.538 31.735 1.803 1
1 165 . 16 1 1 A 18 18 TYR H H 14 9.325 8.029 1.296 1
1 166 . 16 1 1 A 18 18 TYR HA H 14 4.404 4.529 -0.125 1
1 173 . 16 1 1 A 18 18 TYR CA C 14 60.921 59.449 1.472 1
1 174 . 16 1 1 A 18 18 TYR N N 14 127.149 115.065 12.084 1
1 175 . 16 1 1 A 19 19 CYS H H 15 9.687 8.064 1.623 1
1 176 . 16 1 1 A 19 19 CYS HA H 15 4.725 4.131 0.594 1
1 177 . 16 1 1 A 19 19 CYS C C 15 174.998 177.624 -2.626 1
1 178 . 16 1 1 A 19 19 CYS CA C 15 64.573 62.624 1.949 1
1 179 . 16 1 1 A 19 19 CYS CB C 15 29.227 27.182 2.045 1
1 180 . 16 1 1 A 19 19 CYS N N 15 127.652 119.448 8.204 1
1 181 . 16 1 1 A 20 20 LYS H H 16 7.706 8.163 -0.457 1
1 182 . 16 1 1 A 20 20 LYS HA H 16 3.946 3.966 -0.020 1
1 191 . 16 1 1 A 20 20 LYS C C 16 177.252 179.352 -2.100 1
1 192 . 16 1 1 A 20 20 LYS CA C 16 59.857 60.032 -0.175 1
1 193 . 16 1 1 A 20 20 LYS CB C 16 32.542 32.346 0.196 1
1 194 . 16 1 1 A 20 20 LYS N N 16 119.200 120.279 -1.079 1
1 195 . 16 1 1 A 21 21 ARG H H 17 7.839 8.077 -0.238 1
1 196 . 16 1 1 A 21 21 ARG HA H 17 4.176 4.065 0.111 1
1 203 . 16 1 1 A 21 21 ARG C C 17 179.858 178.939 0.919 1
1 204 . 16 1 1 A 21 21 ARG CA C 17 59.647 59.089 0.558 1
1 205 . 16 1 1 A 21 21 ARG CB C 17 30.340 30.119 0.221 1
1 206 . 16 1 1 A 21 21 ARG N N 17 117.964 119.866 -1.902 1
1 207 . 16 1 1 A 22 22 ALA H H 18 8.084 8.144 -0.060 1
1 208 . 16 1 1 A 22 22 ALA HA H 18 4.168 4.319 -0.151 1
1 212 . 16 1 1 A 22 22 ALA C C 18 177.322 179.610 -2.288 1
1 213 . 16 1 1 A 22 22 ALA CA C 18 55.859 55.442 0.417 1
1 214 . 16 1 1 A 22 22 ALA CB C 18 19.047 18.181 0.866 1
1 215 . 16 1 1 A 22 22 ALA N N 18 124.839 122.109 2.730 1
1 216 . 16 1 1 A 23 23 ARG H H 19 7.811 8.083 -0.272 1
1 217 . 16 1 1 A 23 23 ARG HA H 19 3.320 3.582 -0.262 1
1 224 . 16 1 1 A 23 23 ARG C C 19 177.217 178.070 -0.853 1
1 225 . 16 1 1 A 23 23 ARG CA C 19 60.780 58.729 2.051 1
1 226 . 16 1 1 A 23 23 ARG CB C 19 30.828 29.498 1.330 1
1 227 . 16 1 1 A 23 23 ARG N N 19 116.980 117.125 -0.145 1
1 228 . 16 1 1 A 24 24 ASP H H 20 8.710 8.079 0.631 1
1 229 . 16 1 1 A 24 24 ASP HA H 20 4.299 4.395 -0.096 1
1 232 . 16 1 1 A 24 24 ASP C C 20 178.625 178.340 0.285 1
1 233 . 16 1 1 A 24 24 ASP CA C 20 57.477 57.570 -0.093 1
1 234 . 16 1 1 A 24 24 ASP CB C 20 40.551 41.591 -1.040 1
1 235 . 16 1 1 A 24 24 ASP N N 20 116.717 120.211 -3.494 1
1 236 . 16 1 1 A 25 25 LEU H H 21 7.114 8.073 -0.959 1
1 237 . 16 1 1 A 25 25 LEU HA H 21 4.131 4.043 0.088 1
1 246 . 16 1 1 A 25 25 LEU C C 21 177.580 178.513 -0.933 1
1 247 . 16 1 1 A 25 25 LEU CA C 21 57.857 58.488 -0.631 1
1 248 . 16 1 1 A 25 25 LEU CB C 21 41.654 41.917 -0.263 1
1 251 . 16 1 1 A 25 25 LEU N N 21 119.808 120.562 -0.754 1
1 252 . 16 1 1 A 26 26 LEU H H 22 7.294 8.235 -0.941 1
1 253 . 16 1 1 A 26 26 LEU HA H 22 3.767 3.847 -0.080 1
1 262 . 16 1 1 A 26 26 LEU C C 22 178.696 178.590 0.106 1
1 263 . 16 1 1 A 26 26 LEU CA C 22 58.107 58.183 -0.076 1
1 264 . 16 1 1 A 26 26 LEU CB C 22 40.750 41.829 -1.079 1
1 267 . 16 1 1 A 26 26 LEU N N 22 117.901 119.139 -1.238 1
1 268 . 16 1 1 A 27 27 ASP H H 23 9.446 8.462 0.984 1
1 269 . 16 1 1 A 27 27 ASP HA H 23 4.608 4.552 0.056 1
1 272 . 16 1 1 A 27 27 ASP C C 23 180.104 178.721 1.383 1
1 273 . 16 1 1 A 27 27 ASP CA C 23 57.406 57.201 0.205 1
1 274 . 16 1 1 A 27 27 ASP CB C 23 39.839 42.060 -2.221 1
1 275 . 16 1 1 A 27 27 ASP N N 23 119.946 118.603 1.343 1
1 276 . 16 1 1 A 28 28 LYS H H 24 7.915 7.913 0.002 1
1 277 . 16 1 1 A 28 28 LYS HA H 24 4.079 4.009 0.070 1
1 286 . 16 1 1 A 28 28 LYS C C 24 178.414 179.232 -0.818 1
1 287 . 16 1 1 A 28 28 LYS CA C 24 59.295 59.395 -0.100 1
1 288 . 16 1 1 A 28 28 LYS CB C 24 32.342 32.250 0.092 1
1 289 . 16 1 1 A 28 28 LYS N N 24 122.484 118.897 3.587 1
1 290 . 16 1 1 A 29 29 LYS H H 25 7.763 7.571 0.192 1
1 291 . 16 1 1 A 29 29 LYS HA H 25 4.195 4.193 0.002 1
1 300 . 16 1 1 A 29 29 LYS C C 25 176.583 177.157 -0.574 1
1 301 . 16 1 1 A 29 29 LYS CA C 25 56.122 56.764 -0.642 1
1 302 . 16 1 1 A 29 29 LYS CB C 25 32.771 32.851 -0.080 1
1 303 . 16 1 1 A 29 29 LYS N N 25 116.683 116.000 0.683 1
1 304 . 16 1 1 A 30 30 GLY H H 26 7.961 8.118 -0.157 1
1 305 . 16 1 1 A 30 30 GLY HA2 H 26 4.005 4.044 -0.039 1
1 306 . 16 1 1 A 30 30 GLY HA3 H 26 3.894 4.049 -0.155 1
1 307 . 16 1 1 A 30 30 GLY C C 26 174.223 173.883 0.340 1
1 308 . 16 1 1 A 30 30 GLY CA C 26 46.265 46.385 -0.120 1
1 309 . 16 1 1 A 30 30 GLY N N 26 108.209 106.885 1.324 1
1 310 . 16 1 1 A 31 31 VAL H H 27 7.440 7.225 0.215 1
1 311 . 16 1 1 A 31 31 VAL HA H 27 4.355 4.896 -0.541 1
1 319 . 16 1 1 A 31 31 VAL C C 27 174.294 174.146 0.148 1
1 320 . 16 1 1 A 31 31 VAL CA C 27 60.115 59.236 0.879 1
1 321 . 16 1 1 A 31 31 VAL CB C 27 33.737 35.810 -2.073 1
1 323 . 16 1 1 A 31 31 VAL N N 27 114.927 114.087 0.840 1
1 324 . 16 1 1 A 32 32 LYS H H 28 8.408 8.570 -0.162 1
1 325 . 16 1 1 A 32 32 LYS HA H 28 4.268 4.797 -0.529 1
1 334 . 16 1 1 A 32 32 LYS C C 28 175.385 175.777 -0.392 1
1 335 . 16 1 1 A 32 32 LYS CA C 28 55.441 54.949 0.492 1
1 336 . 16 1 1 A 32 32 LYS CB C 28 33.269 33.184 0.085 1
1 337 . 16 1 1 A 32 32 LYS N N 28 124.540 121.344 3.196 1
1 338 . 16 1 1 A 33 33 TYR H H 29 7.451 8.763 -1.312 1
1 339 . 16 1 1 A 33 33 TYR HA H 29 5.149 5.593 -0.444 1
1 346 . 16 1 1 A 33 33 TYR C C 29 173.730 174.911 -1.181 1
1 347 . 16 1 1 A 33 33 TYR CA C 29 57.198 55.854 1.344 1
1 348 . 16 1 1 A 33 33 TYR CB C 29 41.499 40.902 0.597 1
1 353 . 16 1 1 A 33 33 TYR N N 29 117.090 124.035 -6.945 1
1 354 . 16 1 1 A 34 34 THR H H 30 9.106 8.965 0.141 1
1 355 . 16 1 1 A 34 34 THR HA H 30 4.368 4.876 -0.508 1
1 360 . 16 1 1 A 34 34 THR C C 30 171.336 172.922 -1.586 1
1 361 . 16 1 1 A 34 34 THR CA C 30 62.096 61.454 0.642 1
1 362 . 16 1 1 A 34 34 THR CB C 30 70.603 69.983 0.620 1
1 364 . 16 1 1 A 34 34 THR N N 30 119.343 116.915 2.428 1
1 365 . 16 1 1 A 35 35 ASP H H 31 8.772 9.057 -0.285 1
1 366 . 16 1 1 A 35 35 ASP HA H 31 5.283 4.955 0.328 1
1 369 . 16 1 1 A 35 35 ASP C C 31 175.245 174.965 0.280 1
1 370 . 16 1 1 A 35 35 ASP CA C 31 52.549 53.936 -1.387 1
1 371 . 16 1 1 A 35 35 ASP CB C 31 42.286 42.420 -0.134 1
1 372 . 16 1 1 A 35 35 ASP N N 31 129.184 127.565 1.619 1
1 373 . 16 1 1 A 36 36 ILE H H 32 9.283 9.144 0.139 1
1 374 . 16 1 1 A 36 36 ILE HA H 32 4.081 4.516 -0.435 1
1 384 . 16 1 1 A 36 36 ILE C C 32 175.854 175.261 0.593 1
1 385 . 16 1 1 A 36 36 ILE CA C 32 60.226 60.240 -0.014 1
1 386 . 16 1 1 A 36 36 ILE CB C 32 39.998 39.403 0.595 1
1 388 . 16 1 1 A 36 36 ILE N N 32 129.240 127.407 1.833 1
1 389 . 16 1 1 A 37 37 ASP H H 33 8.298 8.963 -0.665 1
1 390 . 16 1 1 A 37 37 ASP HA H 33 4.648 4.599 0.049 1
1 393 . 16 1 1 A 37 37 ASP CA C 33 54.101 54.757 -0.656 1
1 394 . 16 1 1 A 37 37 ASP CB C 33 40.536 41.117 -0.581 1
1 395 . 16 1 1 A 37 37 ASP N N 33 125.570 128.796 -3.226 1
1 396 . 16 1 1 A 38 38 ALA H H 34 9.840 8.714 1.126 1
1 397 . 16 1 1 A 38 38 ALA HA H 34 4.620 4.048 0.572 1
1 401 . 16 1 1 A 38 38 ALA C C 34 175.185 178.531 -3.346 1
1 402 . 16 1 1 A 38 38 ALA CA C 34 51.239 54.777 -3.538 1
1 403 . 16 1 1 A 38 38 ALA CB C 34 20.627 18.517 2.110 1
1 404 . 16 1 1 A 38 38 ALA N N 34 134.980 124.677 10.303 1
1 405 . 16 1 1 A 39 39 SER H H 35 8.679 7.582 1.097 1
1 406 . 16 1 1 A 39 39 SER HA H 35 4.189 4.243 -0.054 1
1 409 . 16 1 1 A 39 39 SER C C 35 175.713 176.335 -0.622 1
1 410 . 16 1 1 A 39 39 SER CA C 35 60.956 60.480 0.476 1
1 411 . 16 1 1 A 39 39 SER CB C 35 64.425 63.460 0.965 1
1 412 . 16 1 1 A 39 39 SER N N 35 111.865 115.429 -3.564 1
1 413 . 16 1 1 A 40 40 THR H H 36 8.438 8.626 -0.188 1
1 414 . 16 1 1 A 40 40 THR HA H 36 4.672 4.045 0.627 1
1 419 . 16 1 1 A 40 40 THR CA C 36 59.859 64.871 -5.012 1
1 421 . 16 1 1 A 40 40 THR N N 36 114.335 119.811 -5.476 1
1 422 . 16 1 1 A 41 41 SER C C 37 174.129 175.483 -1.354 1
1 423 . 16 1 1 A 41 41 SER CA C 37 60.964 61.691 -0.727 1
1 424 . 16 1 1 A 41 41 SER CB C 37 63.605 62.597 1.008 1
1 425 . 16 1 1 A 42 42 LEU H H 38 8.643 7.491 1.152 1
1 426 . 16 1 1 A 42 42 LEU HA H 38 4.679 4.399 0.280 1
1 436 . 16 1 1 A 42 42 LEU C C 38 176.347 177.889 -1.542 1
1 437 . 16 1 1 A 42 42 LEU CA C 38 54.842 55.847 -1.005 1
1 438 . 16 1 1 A 42 42 LEU CB C 38 41.117 43.641 -2.524 1
1 439 . 16 1 1 A 42 42 LEU N N 38 121.245 119.961 1.284 1
1 440 . 16 1 1 A 43 43 ARG H H 39 7.583 8.522 -0.939 1
1 441 . 16 1 1 A 43 43 ARG HA H 39 4.173 3.976 0.197 1
1 448 . 16 1 1 A 43 43 ARG C C 39 175.925 178.087 -2.162 1
1 449 . 16 1 1 A 43 43 ARG CA C 39 60.907 59.499 1.408 1
1 450 . 16 1 1 A 43 43 ARG N N 39 123.341 120.745 2.596 1
1 451 . 16 1 1 A 44 44 GLN H H 40 8.203 8.099 0.104 1
1 452 . 16 1 1 A 44 44 GLN HA H 40 3.974 3.973 0.001 1
1 459 . 16 1 1 A 44 44 GLN C C 40 175.608 178.363 -2.755 1
1 460 . 16 1 1 A 44 44 GLN CA C 40 58.622 59.082 -0.460 1
1 461 . 16 1 1 A 44 44 GLN CB C 40 28.591 28.299 0.292 1
1 464 . 16 1 1 A 44 44 GLN N N 40 114.940 118.307 -3.367 1
1 466 . 16 1 1 A 45 45 GLU H H 41 7.616 7.963 -0.347 1
1 467 . 16 1 1 A 45 45 GLU HA H 41 3.947 4.054 -0.107 1
1 472 . 16 1 1 A 45 45 GLU CA C 41 59.009 59.469 -0.460 1
1 473 . 16 1 1 A 45 45 GLU CB C 41 30.110 29.073 1.037 1
1 474 . 16 1 1 A 45 45 GLU N N 41 120.916 119.820 1.096 1
1 475 . 16 1 1 A 46 46 MET H H 42 7.474 7.917 -0.443 1
1 476 . 16 1 1 A 46 46 MET HA H 42 4.778 4.200 0.578 1
1 483 . 16 1 1 A 46 46 MET C C 42 176.347 178.197 -1.850 1
1 484 . 16 1 1 A 46 46 MET CA C 42 59.567 58.206 1.361 1
1 485 . 16 1 1 A 46 46 MET CB C 42 30.294 32.394 -2.100 1
1 487 . 16 1 1 A 46 46 MET N N 42 118.736 119.831 -1.095 1
1 488 . 16 1 1 A 47 47 VAL H H 43 8.006 8.501 -0.495 1
1 489 . 16 1 1 A 47 47 VAL HA H 43 3.624 3.188 0.436 1
1 497 . 16 1 1 A 47 47 VAL C C 43 176.911 177.347 -0.436 1
1 498 . 16 1 1 A 47 47 VAL CA C 43 65.362 64.759 0.603 1
1 499 . 16 1 1 A 47 47 VAL CB C 43 31.859 30.434 1.425 1
1 501 . 16 1 1 A 47 47 VAL N N 43 116.804 118.770 -1.966 1
1 502 . 16 1 1 A 48 48 GLN H H 44 7.935 8.241 -0.306 1
1 503 . 16 1 1 A 48 48 GLN HA H 44 3.972 3.973 -0.001 1
1 510 . 16 1 1 A 48 48 GLN C C 44 178.636 178.341 0.295 1
1 511 . 16 1 1 A 48 48 GLN CA C 44 58.472 58.449 0.023 1
1 512 . 16 1 1 A 48 48 GLN CB C 44 30.542 27.845 2.697 1
1 513 . 16 1 1 A 48 48 GLN N N 44 117.704 119.539 -1.835 1
1 515 . 16 1 1 A 49 49 ARG H H 45 8.100 7.739 0.361 1
1 516 . 16 1 1 A 49 49 ARG HA H 45 3.906 4.084 -0.178 1
1 521 . 16 1 1 A 49 49 ARG CA C 45 59.397 58.672 0.725 1
1 522 . 16 1 1 A 49 49 ARG CB C 45 29.993 29.909 0.084 1
1 523 . 16 1 1 A 49 49 ARG N N 45 120.984 120.048 0.936 1
1 524 . 16 1 1 A 50 50 ALA H H 46 8.279 7.507 0.772 1
1 525 . 16 1 1 A 50 50 ALA HA H 46 3.782 4.330 -0.548 1
1 529 . 16 1 1 A 50 50 ALA C C 46 178.073 178.749 -0.676 1
1 530 . 16 1 1 A 50 50 ALA CA C 46 51.408 53.590 -2.182 1
1 531 . 16 1 1 A 50 50 ALA CB C 46 18.883 19.393 -0.510 1
1 532 . 16 1 1 A 50 50 ALA N N 46 118.254 121.302 -3.048 1
1 533 . 16 1 1 A 51 51 ASN H H 47 7.706 8.269 -0.563 1
1 534 . 16 1 1 A 51 51 ASN HA H 47 4.420 5.116 -0.696 1
1 539 . 16 1 1 A 51 51 ASN C C 47 174.974 175.778 -0.804 1
1 540 . 16 1 1 A 51 51 ASN CA C 47 54.303 53.574 0.729 1
1 541 . 16 1 1 A 51 51 ASN CB C 47 37.804 40.126 -2.322 1
1 543 . 16 1 1 A 51 51 ASN N N 47 115.277 111.914 3.363 1
1 545 . 16 1 1 A 52 52 GLY H H 48 8.702 7.703 0.999 1
1 546 . 16 1 1 A 52 52 GLY HA2 H 48 4.267 4.068 0.199 1
1 547 . 16 1 1 A 52 52 GLY HA3 H 48 3.379 4.080 -0.701 1
1 548 . 16 1 1 A 52 52 GLY CA C 48 45.176 45.681 -0.505 1
1 549 . 16 1 1 A 52 52 GLY N N 48 104.035 107.584 -3.549 1
1 550 . 16 1 1 A 53 53 ARG H H 49 7.116 7.912 -0.796 1
1 551 . 16 1 1 A 53 53 ARG HA H 49 4.144 4.754 -0.610 1
1 558 . 16 1 1 A 53 53 ARG C C 49 176.101 175.684 0.417 1
1 559 . 16 1 1 A 53 53 ARG CA C 49 57.285 55.302 1.983 1
1 560 . 16 1 1 A 53 53 ARG N N 49 121.384 120.770 0.614 1
1 561 . 16 1 1 A 54 54 ASN H H 50 7.958 8.588 -0.630 1
1 562 . 16 1 1 A 54 54 ASN HA H 50 4.589 4.581 0.008 1
1 567 . 16 1 1 A 54 54 ASN CA C 50 51.568 53.900 -2.332 1
1 568 . 16 1 1 A 54 54 ASN CB C 50 38.018 38.833 -0.815 1
1 570 . 16 1 1 A 54 54 ASN N N 50 116.546 121.759 -5.213 1
1 572 . 16 1 1 A 55 55 THR H H 51 6.818 8.743 -1.925 1
1 573 . 16 1 1 A 55 55 THR HA H 51 4.283 4.906 -0.623 1
1 578 . 16 1 1 A 55 55 THR C C 51 172.509 173.618 -1.109 1
1 579 . 16 1 1 A 55 55 THR CA C 51 59.829 60.636 -0.807 1
1 580 . 16 1 1 A 55 55 THR CB C 51 70.400 72.314 -1.914 1
1 582 . 16 1 1 A 55 55 THR N N 51 108.070 115.405 -7.335 1
1 583 . 16 1 1 A 56 56 PHE H H 52 8.444 8.628 -0.184 1
1 584 . 16 1 1 A 56 56 PHE HA H 52 4.730 4.782 -0.052 1
1 592 . 16 1 1 A 56 56 PHE CA C 52 55.529 56.657 -1.128 1
1 593 . 16 1 1 A 56 56 PHE N N 52 116.926 120.235 -3.309 1
1 594 . 16 1 1 A 57 57 PRO CA C 53 62.827 62.895 -0.068 1
1 595 . 16 1 1 A 57 57 PRO CB C 53 35.258 33.346 1.912 1
1 596 . 16 1 1 A 58 58 GLN H H 54 8.070 8.706 -0.636 1
1 597 . 16 1 1 A 58 58 GLN HA H 54 4.853 4.902 -0.049 1
1 604 . 16 1 1 A 58 58 GLN C C 54 175.291 173.273 2.018 1
1 605 . 16 1 1 A 58 58 GLN CA C 54 55.071 55.261 -0.190 1
1 606 . 16 1 1 A 58 58 GLN CB C 54 32.237 31.023 1.214 1
1 607 . 16 1 1 A 58 58 GLN N N 54 113.697 116.364 -2.667 1
1 609 . 16 1 1 A 59 59 ILE H H 55 8.753 8.741 0.012 1
1 610 . 16 1 1 A 59 59 ILE HA H 55 5.089 4.719 0.370 1
1 620 . 16 1 1 A 59 59 ILE C C 55 174.164 175.374 -1.210 1
1 621 . 16 1 1 A 59 59 ILE CA C 55 61.194 60.386 0.808 1
1 622 . 16 1 1 A 59 59 ILE CB C 55 40.657 39.081 1.576 1
1 625 . 16 1 1 A 59 59 ILE N N 55 122.202 121.577 0.625 1
1 626 . 16 1 1 A 60 60 PHE H H 56 9.564 9.286 0.278 1
1 627 . 16 1 1 A 60 60 PHE HA H 56 5.390 5.138 0.252 1
1 635 . 16 1 1 A 60 60 PHE C C 56 174.305 175.660 -1.355 1
1 636 . 16 1 1 A 60 60 PHE CA C 56 56.614 57.590 -0.976 1
1 637 . 16 1 1 A 60 60 PHE CB C 56 42.488 40.870 1.618 1
1 638 . 16 1 1 A 60 60 PHE N N 56 127.604 127.000 0.604 1
1 639 . 16 1 1 A 61 61 ILE H H 57 9.231 8.396 0.835 1
1 640 . 16 1 1 A 61 61 ILE HA H 57 4.483 4.793 -0.310 1
1 650 . 16 1 1 A 61 61 ILE C C 57 176.418 175.451 0.967 1
1 651 . 16 1 1 A 61 61 ILE CA C 57 60.800 59.132 1.668 1
1 652 . 16 1 1 A 61 61 ILE CB C 57 39.431 41.019 -1.588 1
1 656 . 16 1 1 A 61 61 ILE N N 57 121.606 117.288 4.318 1
1 657 . 16 1 1 A 62 62 GLY H H 58 9.118 9.717 -0.599 1
1 658 . 16 1 1 A 62 62 GLY HA2 H 58 4.092 3.926 0.166 1
1 659 . 16 1 1 A 62 62 GLY HA3 H 58 3.951 3.944 0.007 1
1 660 . 16 1 1 A 62 62 GLY C C 58 174.058 174.111 -0.053 1
1 661 . 16 1 1 A 62 62 GLY CA C 58 47.516 46.937 0.579 1
1 662 . 16 1 1 A 62 62 GLY N N 58 118.483 114.378 4.105 1
1 663 . 16 1 1 A 63 63 ASP H H 59 8.944 8.822 0.122 1
1 664 . 16 1 1 A 63 63 ASP HA H 59 4.762 4.764 -0.002 1
1 667 . 16 1 1 A 63 63 ASP C C 59 175.220 174.288 0.932 1
1 668 . 16 1 1 A 63 63 ASP CA C 59 54.467 55.936 -1.469 1
1 669 . 16 1 1 A 63 63 ASP CB C 59 40.913 39.171 1.742 1
1 670 . 16 1 1 A 63 63 ASP N N 59 125.981 112.328 13.653 1
1 671 . 16 1 1 A 64 64 TYR H H 60 8.332 7.723 0.609 1
1 672 . 16 1 1 A 64 64 TYR HA H 60 4.600 4.648 -0.048 1
1 679 . 16 1 1 A 64 64 TYR C C 60 174.023 173.687 0.336 1
1 680 . 16 1 1 A 64 64 TYR CA C 60 57.761 56.596 1.165 1
1 681 . 16 1 1 A 64 64 TYR CB C 60 33.473 40.740 -7.267 1
1 682 . 16 1 1 A 64 64 TYR N N 60 122.443 118.829 3.614 1
1 683 . 16 1 1 A 65 65 HIS H H 61 8.625 7.811 0.814 1
1 684 . 16 1 1 A 65 65 HIS HA H 61 4.200 3.875 0.325 1
1 689 . 16 1 1 A 65 65 HIS C C 61 171.910 174.732 -2.822 1
1 690 . 16 1 1 A 65 65 HIS CA C 61 53.347 55.055 -1.708 1
1 691 . 16 1 1 A 65 65 HIS CB C 61 28.830 30.109 -1.279 1
1 692 . 16 1 1 A 65 65 HIS N N 61 129.863 122.284 7.579 1
1 693 . 16 1 1 A 66 66 VAL H H 62 8.059 8.990 -0.931 1
1 694 . 16 1 1 A 66 66 VAL HA H 62 3.316 4.001 -0.685 1
1 702 . 16 1 1 A 66 66 VAL CA C 62 64.194 62.669 1.525 1
1 703 . 16 1 1 A 66 66 VAL CB C 62 32.770 33.265 -0.495 1
1 705 . 16 1 1 A 66 66 VAL N N 62 129.219 120.177 9.042 1
1 706 . 16 1 1 A 67 67 GLY H H 63 6.327 8.190 -1.863 1
1 707 . 16 1 1 A 67 67 GLY HA2 H 63 4.503 4.001 0.502 1
1 708 . 16 1 1 A 67 67 GLY HA3 H 63 2.870 4.018 -1.148 1
1 709 . 16 1 1 A 67 67 GLY C C 63 172.156 174.443 -2.287 1
1 710 . 16 1 1 A 67 67 GLY CA C 63 43.551 45.651 -2.100 1
1 711 . 16 1 1 A 67 67 GLY N N 63 102.548 109.484 -6.936 1
1 712 . 16 1 1 A 68 68 GLY H H 64 9.095 8.178 0.917 1
1 713 . 16 1 1 A 68 68 GLY HA2 H 64 4.863 4.198 0.665 1
1 714 . 16 1 1 A 68 68 GLY HA3 H 64 3.821 4.215 -0.394 1
1 715 . 16 1 1 A 68 68 GLY C C 64 172.509 174.989 -2.480 1
1 716 . 16 1 1 A 68 68 GLY CA C 64 43.870 43.971 -0.101 1
1 717 . 16 1 1 A 68 68 GLY N N 64 110.080 108.264 1.816 1
1 718 . 16 1 1 A 69 69 CYS H H 65 8.398 9.197 -0.799 1
1 719 . 16 1 1 A 69 69 CYS HA H 65 3.846 3.825 0.021 1
1 722 . 16 1 1 A 69 69 CYS C C 65 173.741 176.123 -2.382 1
1 723 . 16 1 1 A 69 69 CYS CA C 65 62.944 62.175 0.769 1
1 724 . 16 1 1 A 69 69 CYS CB C 65 45.022 27.572 17.450 1
1 725 . 16 1 1 A 69 69 CYS N N 65 118.292 120.963 -2.671 1
1 726 . 16 1 1 A 70 70 ASP H H 66 9.110 8.292 0.818 1
1 727 . 16 1 1 A 70 70 ASP HA H 66 5.745 4.456 1.289 1
1 730 . 16 1 1 A 70 70 ASP C C 66 178.777 178.109 0.668 1
1 731 . 16 1 1 A 70 70 ASP CA C 66 57.437 56.978 0.459 1
1 732 . 16 1 1 A 70 70 ASP CB C 66 40.016 41.303 -1.287 1
1 733 . 16 1 1 A 70 70 ASP N N 66 123.178 121.417 1.761 1
1 734 . 16 1 1 A 71 71 ASP H H 67 7.301 7.763 -0.462 1
1 735 . 16 1 1 A 71 71 ASP HA H 67 4.362 4.411 -0.049 1
1 738 . 16 1 1 A 71 71 ASP C C 67 177.474 178.749 -1.275 1
1 739 . 16 1 1 A 71 71 ASP CA C 67 57.381 57.250 0.131 1
1 740 . 16 1 1 A 71 71 ASP CB C 67 41.503 40.462 1.041 1
1 741 . 16 1 1 A 71 71 ASP N N 67 119.848 118.513 1.335 1
1 742 . 16 1 1 A 72 72 LEU H H 68 7.805 7.136 0.669 1
1 743 . 16 1 1 A 72 72 LEU HA H 68 3.822 3.920 -0.098 1
1 753 . 16 1 1 A 72 72 LEU C C 68 177.509 178.911 -1.402 1
1 754 . 16 1 1 A 72 72 LEU CA C 68 58.446 57.718 0.728 1
1 755 . 16 1 1 A 72 72 LEU CB C 68 42.524 40.877 1.647 1
1 757 . 16 1 1 A 72 72 LEU N N 68 121.720 118.249 3.471 1
1 758 . 16 1 1 A 73 73 TYR H H 69 8.229 7.279 0.950 1
1 759 . 16 1 1 A 73 73 TYR HA H 69 3.772 4.293 -0.521 1
1 766 . 16 1 1 A 73 73 TYR C C 69 177.721 178.765 -1.044 1
1 767 . 16 1 1 A 73 73 TYR CA C 69 62.867 60.202 2.665 1
1 768 . 16 1 1 A 73 73 TYR CB C 69 38.215 37.664 0.551 1
1 769 . 16 1 1 A 73 73 TYR N N 69 116.501 119.453 -2.952 1
1 770 . 16 1 1 A 74 74 ALA H H 70 8.275 8.350 -0.075 1
1 771 . 16 1 1 A 74 74 ALA HA H 70 4.286 4.097 0.189 1
1 775 . 16 1 1 A 74 74 ALA C C 70 180.045 180.000 0.045 1
1 776 . 16 1 1 A 74 74 ALA CA C 70 55.701 55.274 0.427 1
1 777 . 16 1 1 A 74 74 ALA CB C 70 17.944 18.017 -0.073 1
1 778 . 16 1 1 A 74 74 ALA N N 70 122.883 122.721 0.162 1
1 779 . 16 1 1 A 75 75 LEU H H 71 7.558 8.210 -0.652 1
1 780 . 16 1 1 A 75 75 LEU HA H 71 3.975 3.884 0.091 1
1 790 . 16 1 1 A 75 75 LEU C C 71 179.024 179.129 -0.105 1
1 791 . 16 1 1 A 75 75 LEU CA C 71 57.994 58.188 -0.194 1
1 792 . 16 1 1 A 75 75 LEU CB C 71 42.836 41.566 1.270 1
1 793 . 16 1 1 A 75 75 LEU N N 71 117.133 119.637 -2.504 1
1 794 . 16 1 1 A 76 76 GLU H H 72 7.587 8.450 -0.863 1
1 795 . 16 1 1 A 76 76 GLU HA H 72 4.473 3.898 0.575 1
1 800 . 16 1 1 A 76 76 GLU C C 72 179.270 178.584 0.686 1
1 801 . 16 1 1 A 76 76 GLU CA C 72 58.296 59.976 -1.680 1
1 802 . 16 1 1 A 76 76 GLU CB C 72 28.457 29.251 -0.794 1
1 803 . 16 1 1 A 76 76 GLU N N 72 121.576 118.867 2.709 1
1 804 . 16 1 1 A 77 77 ASN H H 73 8.863 7.902 0.961 1
1 805 . 16 1 1 A 77 77 ASN HA H 73 4.511 4.530 -0.019 1
1 810 . 16 1 1 A 77 77 ASN C C 73 176.664 178.096 -1.432 1
1 811 . 16 1 1 A 77 77 ASN CA C 73 55.944 55.217 0.727 1
1 812 . 16 1 1 A 77 77 ASN CB C 73 38.660 38.555 0.105 1
1 814 . 16 1 1 A 77 77 ASN N N 73 120.232 118.229 2.003 1
1 816 . 16 1 1 A 78 78 LYS H H 74 7.617 7.765 -0.148 1
1 817 . 16 1 1 A 78 78 LYS HA H 74 4.426 4.335 0.091 1
1 826 . 16 1 1 A 78 78 LYS C C 74 176.312 176.570 -0.258 1
1 827 . 16 1 1 A 78 78 LYS CA C 74 55.863 57.089 -1.226 1
1 828 . 16 1 1 A 78 78 LYS CB C 74 33.482 33.192 0.290 1
1 829 . 16 1 1 A 78 78 LYS N N 74 115.597 118.818 -3.221 1
1 830 . 16 1 1 A 79 79 GLY H H 75 8.023 7.695 0.328 1
1 831 . 16 1 1 A 79 79 GLY HA2 H 75 4.060 4.013 0.047 1
1 832 . 16 1 1 A 79 79 GLY HA3 H 75 4.060 4.016 0.044 1
1 833 . 16 1 1 A 79 79 GLY C C 75 175.009 175.824 -0.815 1
1 834 . 16 1 1 A 79 79 GLY CA C 75 46.234 45.136 1.098 1
1 835 . 16 1 1 A 79 79 GLY N N 75 109.073 107.697 1.376 1
1 836 . 16 1 1 A 80 80 LYS H H 76 8.091 8.553 -0.462 1
1 837 . 16 1 1 A 80 80 LYS HA H 76 4.422 4.323 0.099 1
1 846 . 16 1 1 A 80 80 LYS C C 76 173.037 177.551 -4.514 1
1 847 . 16 1 1 A 80 80 LYS CA C 76 55.679 56.793 -1.114 1
1 848 . 16 1 1 A 80 80 LYS CB C 76 35.038 32.375 2.663 1
1 849 . 16 1 1 A 80 80 LYS N N 76 116.888 120.394 -3.506 1
1 850 . 16 1 1 A 81 81 LEU H H 77 7.411 7.785 -0.374 1
1 851 . 16 1 1 A 81 81 LEU HA H 77 4.003 3.989 0.014 1
1 861 . 16 1 1 A 81 81 LEU C C 77 177.333 177.956 -0.623 1
1 862 . 16 1 1 A 81 81 LEU CA C 77 57.512 58.160 -0.648 1
1 863 . 16 1 1 A 81 81 LEU CB C 77 40.676 41.495 -0.819 1
1 864 . 16 1 1 A 81 81 LEU N N 77 122.079 122.126 -0.047 1
1 865 . 16 1 1 A 82 82 ASP H H 78 8.613 8.467 0.146 1
1 866 . 16 1 1 A 82 82 ASP HA H 78 4.232 4.307 -0.075 1
1 869 . 16 1 1 A 82 82 ASP C C 78 178.354 178.633 -0.279 1
1 870 . 16 1 1 A 82 82 ASP CA C 78 58.438 57.653 0.785 1
1 871 . 16 1 1 A 82 82 ASP CB C 78 39.890 40.264 -0.374 1
1 872 . 16 1 1 A 82 82 ASP N N 78 118.813 118.529 0.284 1
1 873 . 16 1 1 A 83 83 SER H H 79 7.886 7.624 0.262 1
1 874 . 16 1 1 A 83 83 SER HA H 79 4.164 4.209 -0.045 1
1 877 . 16 1 1 A 83 83 SER C C 79 176.171 177.617 -1.446 1
1 878 . 16 1 1 A 83 83 SER CA C 79 61.285 61.088 0.197 1
1 879 . 16 1 1 A 83 83 SER CB C 79 62.632 62.910 -0.278 1
1 880 . 16 1 1 A 83 83 SER N N 79 113.338 113.937 -0.599 1
1 881 . 16 1 1 A 84 84 LEU H H 80 7.354 8.227 -0.873 1
1 882 . 16 1 1 A 84 84 LEU HA H 80 4.152 3.955 0.197 1
1 892 . 16 1 1 A 84 84 LEU C C 80 173.671 179.075 -5.404 1
1 893 . 16 1 1 A 84 84 LEU CA C 80 56.841 58.113 -1.272 1
1 894 . 16 1 1 A 84 84 LEU CB C 80 42.682 41.532 1.150 1
1 897 . 16 1 1 A 84 84 LEU N N 80 121.453 122.033 -0.580 1
1 898 . 16 1 1 A 85 85 LEU H H 81 7.655 8.751 -1.096 1
1 899 . 16 1 1 A 85 85 LEU HA H 81 4.113 3.982 0.131 1
1 909 . 16 1 1 A 85 85 LEU C C 81 177.333 179.677 -2.344 1
1 910 . 16 1 1 A 85 85 LEU CA C 81 55.748 58.237 -2.489 1
1 911 . 16 1 1 A 85 85 LEU CB C 81 41.707 40.945 0.762 1
1 914 . 16 1 1 A 85 85 LEU N N 81 115.497 118.857 -3.360 1
1 915 . 16 1 1 A 86 86 GLN H H 82 7.414 8.008 -0.594 1
1 916 . 16 1 1 A 86 86 GLN HA H 82 4.177 4.233 -0.056 1
1 923 . 16 1 1 A 86 86 GLN C C 82 175.537 176.955 -1.418 1
1 924 . 16 1 1 A 86 86 GLN CA C 82 56.986 58.526 -1.540 1
1 925 . 16 1 1 A 86 86 GLN CB C 82 29.187 28.148 1.039 1
1 928 . 16 1 1 A 86 86 GLN N N 82 117.020 117.345 -0.325 1
1 930 . 16 1 1 A 87 87 ASP H H 83 8.092 8.161 -0.069 1
1 931 . 16 1 1 A 87 87 ASP HA H 83 4.672 4.636 0.036 1
1 934 . 16 1 1 A 87 87 ASP C C 83 177.263 177.930 -0.667 1
1 935 . 16 1 1 A 87 87 ASP CA C 83 54.394 56.437 -2.043 1
1 936 . 16 1 1 A 87 87 ASP CB C 83 40.722 41.255 -0.533 1
1 937 . 16 1 1 A 87 87 ASP N N 83 119.072 119.028 0.044 1
1 938 . 16 1 1 A 88 88 VAL H H 84 7.692 7.882 -0.190 1
1 939 . 16 1 1 A 88 88 VAL HA H 84 4.175 4.057 0.118 1
1 947 . 16 1 1 A 88 88 VAL C C 84 174.164 176.621 -2.457 1
1 948 . 16 1 1 A 88 88 VAL CA C 84 62.165 64.941 -2.776 1
1 949 . 16 1 1 A 88 88 VAL CB C 84 32.284 31.774 0.510 1
1 952 . 16 1 1 A 88 88 VAL N N 84 118.778 113.823 4.955 1
1 1 . 17 1 1 A 2 2 PRO C C -2 177.005 176.244 0.761 1
1 2 . 17 1 1 A 2 2 PRO CA C -2 63.481 62.990 0.491 1
1 3 . 17 1 1 A 2 2 PRO CB C -2 32.244 33.117 -0.873 1
1 4 . 17 1 1 A 3 3 GLY H H -1 8.665 8.198 0.467 1
1 5 . 17 1 1 A 3 3 GLY HA2 H -1 3.985 4.158 -0.173 1
1 6 . 17 1 1 A 3 3 GLY HA3 H -1 3.985 4.160 -0.175 1
1 7 . 17 1 1 A 3 3 GLY C C -1 173.706 172.307 1.399 1
1 8 . 17 1 1 A 3 3 GLY CA C -1 45.291 45.559 -0.268 1
1 9 . 17 1 1 A 3 3 GLY N N -1 109.788 107.709 2.079 1
1 10 . 17 1 1 A 4 4 SER H H 0 8.190 8.929 -0.739 1
1 11 . 17 1 1 A 4 4 SER HA H 0 4.477 5.230 -0.753 1
1 14 . 17 1 1 A 4 4 SER C C 0 175.738 173.188 2.550 1
1 15 . 17 1 1 A 4 4 SER CA C 0 58.322 57.087 1.235 1
1 16 . 17 1 1 A 4 4 SER CB C 0 63.927 64.463 -0.536 1
1 17 . 17 1 1 A 4 4 SER N N 0 115.613 117.708 -2.095 1
1 18 . 17 1 1 A 5 5 MET H H 1 8.458 8.470 -0.012 1
1 19 . 17 1 1 A 5 5 MET HA H 1 4.320 5.047 -0.727 1
1 27 . 17 1 1 A 5 5 MET C C 1 173.977 175.386 -1.409 1
1 28 . 17 1 1 A 5 5 MET CA C 1 56.011 54.484 1.527 1
1 29 . 17 1 1 A 5 5 MET CB C 1 33.797 37.415 -3.618 1
1 30 . 17 1 1 A 5 5 MET N N 1 122.334 124.407 -2.073 1
1 31 . 17 1 1 A 6 6 LYS H H 2 8.445 8.382 0.063 1
1 32 . 17 1 1 A 6 6 LYS HA H 2 4.566 4.538 0.028 1
1 39 . 17 1 1 A 6 6 LYS C C 2 174.575 176.203 -1.628 1
1 40 . 17 1 1 A 6 6 LYS CA C 2 55.887 56.676 -0.789 1
1 41 . 17 1 1 A 6 6 LYS CB C 2 33.848 33.590 0.258 1
1 42 . 17 1 1 A 6 6 LYS N N 2 122.229 120.839 1.390 1
1 43 . 17 1 1 A 7 7 GLU H H 3 8.324 9.071 -0.747 1
1 44 . 17 1 1 A 7 7 GLU HA H 3 4.440 5.104 -0.664 1
1 49 . 17 1 1 A 7 7 GLU C C 3 175.491 173.840 1.651 1
1 50 . 17 1 1 A 7 7 GLU CA C 3 55.680 54.757 0.923 1
1 51 . 17 1 1 A 7 7 GLU CB C 3 31.513 33.325 -1.812 1
1 52 . 17 1 1 A 7 7 GLU N N 3 121.539 117.695 3.844 1
1 53 . 17 1 1 A 8 8 ILE H H 4 9.014 8.972 0.042 1
1 54 . 17 1 1 A 8 8 ILE HA H 4 5.025 5.125 -0.100 1
1 64 . 17 1 1 A 8 8 ILE C C 4 174.199 173.967 0.232 1
1 65 . 17 1 1 A 8 8 ILE CA C 4 60.927 59.633 1.294 1
1 66 . 17 1 1 A 8 8 ILE CB C 4 38.759 41.028 -2.269 1
1 69 . 17 1 1 A 8 8 ILE N N 4 127.255 123.524 3.731 1
1 70 . 17 1 1 A 9 9 ILE H H 5 9.104 9.298 -0.194 1
1 71 . 17 1 1 A 9 9 ILE HA H 5 4.900 4.898 0.002 1
1 81 . 17 1 1 A 9 9 ILE C C 5 173.906 175.210 -1.304 1
1 82 . 17 1 1 A 9 9 ILE CA C 5 59.727 59.458 0.269 1
1 83 . 17 1 1 A 9 9 ILE CB C 5 41.627 41.834 -0.207 1
1 87 . 17 1 1 A 9 9 ILE N N 5 128.326 128.546 -0.220 1
1 88 . 17 1 1 A 10 10 LEU H H 6 8.891 9.091 -0.200 1
1 89 . 17 1 1 A 10 10 LEU HA H 6 5.157 5.257 -0.100 1
1 96 . 17 1 1 A 10 10 LEU CA C 6 54.076 53.673 0.403 1
1 97 . 17 1 1 A 10 10 LEU CB C 6 44.892 43.985 0.907 1
1 100 . 17 1 1 A 10 10 LEU N N 6 125.779 125.595 0.184 1
1 101 . 17 1 1 A 11 11 TYR H H 7 9.099 8.827 0.272 1
1 102 . 17 1 1 A 11 11 TYR HA H 7 4.336 5.246 -0.910 1
1 109 . 17 1 1 A 11 11 TYR C C 7 177.041 175.123 1.918 1
1 110 . 17 1 1 A 11 11 TYR CA C 7 57.379 56.326 1.053 1
1 111 . 17 1 1 A 11 11 TYR CB C 7 40.345 40.228 0.117 1
1 112 . 17 1 1 A 12 12 THR H H 8 9.286 8.686 0.600 1
1 113 . 17 1 1 A 12 12 THR HA H 8 5.105 4.987 0.118 1
1 118 . 17 1 1 A 12 12 THR C C 8 172.005 173.257 -1.252 1
1 119 . 17 1 1 A 12 12 THR CA C 8 60.604 61.003 -0.399 1
1 120 . 17 1 1 A 12 12 THR CB C 8 73.108 70.809 2.299 1
1 122 . 17 1 1 A 12 12 THR N N 8 111.938 114.420 -2.482 1
1 123 . 17 1 1 A 13 13 ARG H H 9 7.513 8.639 -1.126 1
1 124 . 17 1 1 A 13 13 ARG HA H 9 4.826 4.808 0.018 1
1 131 . 17 1 1 A 13 13 ARG CA C 9 52.836 54.249 -1.413 1
1 132 . 17 1 1 A 13 13 ARG CB C 9 31.436 30.948 0.488 1
1 133 . 17 1 1 A 13 13 ARG N N 9 114.036 120.545 -6.509 1
1 134 . 17 1 1 A 14 14 PRO HA H 10 4.294 4.518 -0.224 1
1 141 . 17 1 1 A 14 14 PRO C C 10 176.477 177.157 -0.680 1
1 142 . 17 1 1 A 14 14 PRO CA C 10 63.464 64.264 -0.800 1
1 143 . 17 1 1 A 14 14 PRO CB C 10 32.615 31.650 0.965 1
1 144 . 17 1 1 A 15 15 ASN H H 11 8.987 8.279 0.708 1
1 145 . 17 1 1 A 15 15 ASN HA H 11 4.240 4.985 -0.745 1
1 150 . 17 1 1 A 15 15 ASN C C 11 176.266 174.269 1.997 1
1 151 . 17 1 1 A 15 15 ASN CA C 11 54.464 52.038 2.426 1
1 152 . 17 1 1 A 15 15 ASN CB C 11 37.500 37.848 -0.348 1
1 154 . 17 1 1 A 15 15 ASN N N 11 115.463 115.461 0.002 1
1 156 . 17 1 1 A 16 16 CYS H H 12 7.324 7.858 -0.534 1
1 157 . 17 1 1 A 16 16 CYS HA H 12 4.931 5.009 -0.078 1
1 160 . 17 1 1 A 16 16 CYS CA C 12 56.277 56.535 -0.258 1
1 161 . 17 1 1 A 16 16 CYS N N 12 123.174 117.897 5.277 1
1 162 . 17 1 1 A 17 17 PRO C C 13 178.555 176.797 1.758 1
1 163 . 17 1 1 A 17 17 PRO CA C 13 64.409 64.290 0.119 1
1 164 . 17 1 1 A 17 17 PRO CB C 13 33.538 31.729 1.809 1
1 165 . 17 1 1 A 18 18 TYR H H 14 9.325 8.030 1.295 1
1 166 . 17 1 1 A 18 18 TYR HA H 14 4.404 4.585 -0.181 1
1 173 . 17 1 1 A 18 18 TYR CA C 14 60.921 58.522 2.399 1
1 174 . 17 1 1 A 18 18 TYR N N 14 127.149 114.974 12.175 1
1 175 . 17 1 1 A 19 19 CYS H H 15 9.687 7.989 1.698 1
1 176 . 17 1 1 A 19 19 CYS HA H 15 4.725 4.120 0.605 1
1 177 . 17 1 1 A 19 19 CYS C C 15 174.998 177.472 -2.474 1
1 178 . 17 1 1 A 19 19 CYS CA C 15 64.573 62.617 1.956 1
1 179 . 17 1 1 A 19 19 CYS CB C 15 29.227 27.179 2.048 1
1 180 . 17 1 1 A 19 19 CYS N N 15 127.652 119.583 8.069 1
1 181 . 17 1 1 A 20 20 LYS H H 16 7.706 8.160 -0.454 1
1 182 . 17 1 1 A 20 20 LYS HA H 16 3.946 3.979 -0.033 1
1 191 . 17 1 1 A 20 20 LYS C C 16 177.252 179.341 -2.089 1
1 192 . 17 1 1 A 20 20 LYS CA C 16 59.857 59.953 -0.096 1
1 193 . 17 1 1 A 20 20 LYS CB C 16 32.542 32.327 0.215 1
1 194 . 17 1 1 A 20 20 LYS N N 16 119.200 120.272 -1.072 1
1 195 . 17 1 1 A 21 21 ARG H H 17 7.839 8.102 -0.263 1
1 196 . 17 1 1 A 21 21 ARG HA H 17 4.176 4.062 0.114 1
1 203 . 17 1 1 A 21 21 ARG C C 17 179.858 178.941 0.917 1
1 204 . 17 1 1 A 21 21 ARG CA C 17 59.647 59.102 0.545 1
1 205 . 17 1 1 A 21 21 ARG CB C 17 30.340 30.118 0.222 1
1 206 . 17 1 1 A 21 21 ARG N N 17 117.964 119.767 -1.803 1
1 207 . 17 1 1 A 22 22 ALA H H 18 8.084 8.338 -0.254 1
1 208 . 17 1 1 A 22 22 ALA HA H 18 4.168 4.271 -0.103 1
1 212 . 17 1 1 A 22 22 ALA C C 18 177.322 179.556 -2.234 1
1 213 . 17 1 1 A 22 22 ALA CA C 18 55.859 55.419 0.440 1
1 214 . 17 1 1 A 22 22 ALA CB C 18 19.047 18.182 0.865 1
1 215 . 17 1 1 A 22 22 ALA N N 18 124.839 122.079 2.760 1
1 216 . 17 1 1 A 23 23 ARG H H 19 7.811 7.999 -0.188 1
1 217 . 17 1 1 A 23 23 ARG HA H 19 3.320 3.516 -0.196 1
1 224 . 17 1 1 A 23 23 ARG C C 19 177.217 178.090 -0.873 1
1 225 . 17 1 1 A 23 23 ARG CA C 19 60.780 58.729 2.051 1
1 226 . 17 1 1 A 23 23 ARG CB C 19 30.828 29.585 1.243 1
1 227 . 17 1 1 A 23 23 ARG N N 19 116.980 117.118 -0.138 1
1 228 . 17 1 1 A 24 24 ASP H H 20 8.710 8.148 0.562 1
1 229 . 17 1 1 A 24 24 ASP HA H 20 4.299 4.399 -0.100 1
1 232 . 17 1 1 A 24 24 ASP C C 20 178.625 178.333 0.292 1
1 233 . 17 1 1 A 24 24 ASP CA C 20 57.477 57.603 -0.126 1
1 234 . 17 1 1 A 24 24 ASP CB C 20 40.551 41.510 -0.959 1
1 235 . 17 1 1 A 24 24 ASP N N 20 116.717 120.217 -3.500 1
1 236 . 17 1 1 A 25 25 LEU H H 21 7.114 8.057 -0.943 1
1 237 . 17 1 1 A 25 25 LEU HA H 21 4.131 4.045 0.086 1
1 246 . 17 1 1 A 25 25 LEU C C 21 177.580 178.755 -1.175 1
1 247 . 17 1 1 A 25 25 LEU CA C 21 57.857 58.398 -0.541 1
1 248 . 17 1 1 A 25 25 LEU CB C 21 41.654 42.029 -0.375 1
1 251 . 17 1 1 A 25 25 LEU N N 21 119.808 120.839 -1.031 1
1 252 . 17 1 1 A 26 26 LEU H H 22 7.294 8.194 -0.900 1
1 253 . 17 1 1 A 26 26 LEU HA H 22 3.767 3.866 -0.099 1
1 262 . 17 1 1 A 26 26 LEU C C 22 178.696 178.768 -0.072 1
1 263 . 17 1 1 A 26 26 LEU CA C 22 58.107 58.246 -0.139 1
1 264 . 17 1 1 A 26 26 LEU CB C 22 40.750 41.822 -1.072 1
1 267 . 17 1 1 A 26 26 LEU N N 22 117.901 119.357 -1.456 1
1 268 . 17 1 1 A 27 27 ASP H H 23 9.446 8.456 0.990 1
1 269 . 17 1 1 A 27 27 ASP HA H 23 4.608 4.337 0.271 1
1 272 . 17 1 1 A 27 27 ASP C C 23 180.104 178.368 1.736 1
1 273 . 17 1 1 A 27 27 ASP CA C 23 57.406 57.963 -0.557 1
1 274 . 17 1 1 A 27 27 ASP CB C 23 39.839 42.232 -2.393 1
1 275 . 17 1 1 A 27 27 ASP N N 23 119.946 118.588 1.358 1
1 276 . 17 1 1 A 28 28 LYS H H 24 7.915 8.311 -0.396 1
1 277 . 17 1 1 A 28 28 LYS HA H 24 4.079 3.969 0.110 1
1 286 . 17 1 1 A 28 28 LYS C C 24 178.414 179.007 -0.593 1
1 287 . 17 1 1 A 28 28 LYS CA C 24 59.295 59.617 -0.322 1
1 288 . 17 1 1 A 28 28 LYS CB C 24 32.342 32.348 -0.006 1
1 289 . 17 1 1 A 28 28 LYS N N 24 122.484 119.666 2.818 1
1 290 . 17 1 1 A 29 29 LYS H H 25 7.763 7.647 0.116 1
1 291 . 17 1 1 A 29 29 LYS HA H 25 4.195 4.246 -0.051 1
1 300 . 17 1 1 A 29 29 LYS C C 25 176.583 177.117 -0.534 1
1 301 . 17 1 1 A 29 29 LYS CA C 25 56.122 56.877 -0.755 1
1 302 . 17 1 1 A 29 29 LYS CB C 25 32.771 32.879 -0.108 1
1 303 . 17 1 1 A 29 29 LYS N N 25 116.683 116.001 0.682 1
1 304 . 17 1 1 A 30 30 GLY H H 26 7.961 8.111 -0.150 1
1 305 . 17 1 1 A 30 30 GLY HA2 H 26 4.005 3.996 0.009 1
1 306 . 17 1 1 A 30 30 GLY HA3 H 26 3.894 4.013 -0.119 1
1 307 . 17 1 1 A 30 30 GLY C C 26 174.223 173.879 0.344 1
1 308 . 17 1 1 A 30 30 GLY CA C 26 46.265 46.390 -0.125 1
1 309 . 17 1 1 A 30 30 GLY N N 26 108.209 107.153 1.056 1
1 310 . 17 1 1 A 31 31 VAL H H 27 7.440 7.235 0.205 1
1 311 . 17 1 1 A 31 31 VAL HA H 27 4.355 4.928 -0.573 1
1 319 . 17 1 1 A 31 31 VAL C C 27 174.294 174.555 -0.261 1
1 320 . 17 1 1 A 31 31 VAL CA C 27 60.115 59.119 0.996 1
1 321 . 17 1 1 A 31 31 VAL CB C 27 33.737 36.365 -2.628 1
1 323 . 17 1 1 A 31 31 VAL N N 27 114.927 114.126 0.801 1
1 324 . 17 1 1 A 32 32 LYS H H 28 8.408 8.641 -0.233 1
1 325 . 17 1 1 A 32 32 LYS HA H 28 4.268 5.038 -0.770 1
1 334 . 17 1 1 A 32 32 LYS C C 28 175.385 175.181 0.204 1
1 335 . 17 1 1 A 32 32 LYS CA C 28 55.441 54.966 0.475 1
1 336 . 17 1 1 A 32 32 LYS CB C 28 33.269 34.369 -1.100 1
1 337 . 17 1 1 A 32 32 LYS N N 28 124.540 120.387 4.153 1
1 338 . 17 1 1 A 33 33 TYR H H 29 7.451 8.844 -1.393 1
1 339 . 17 1 1 A 33 33 TYR HA H 29 5.149 5.887 -0.738 1
1 346 . 17 1 1 A 33 33 TYR C C 29 173.730 174.829 -1.099 1
1 347 . 17 1 1 A 33 33 TYR CA C 29 57.198 55.708 1.490 1
1 348 . 17 1 1 A 33 33 TYR CB C 29 41.499 41.159 0.340 1
1 353 . 17 1 1 A 33 33 TYR N N 29 117.090 123.048 -5.958 1
1 354 . 17 1 1 A 34 34 THR H H 30 9.106 8.966 0.140 1
1 355 . 17 1 1 A 34 34 THR HA H 30 4.368 4.848 -0.480 1
1 360 . 17 1 1 A 34 34 THR C C 30 171.336 173.364 -2.028 1
1 361 . 17 1 1 A 34 34 THR CA C 30 62.096 61.518 0.578 1
1 362 . 17 1 1 A 34 34 THR CB C 30 70.603 69.572 1.031 1
1 364 . 17 1 1 A 34 34 THR N N 30 119.343 117.573 1.770 1
1 365 . 17 1 1 A 35 35 ASP H H 31 8.772 9.265 -0.493 1
1 366 . 17 1 1 A 35 35 ASP HA H 31 5.283 4.932 0.351 1
1 369 . 17 1 1 A 35 35 ASP C C 31 175.245 174.940 0.305 1
1 370 . 17 1 1 A 35 35 ASP CA C 31 52.549 54.364 -1.815 1
1 371 . 17 1 1 A 35 35 ASP CB C 31 42.286 42.223 0.063 1
1 372 . 17 1 1 A 35 35 ASP N N 31 129.184 127.332 1.852 1
1 373 . 17 1 1 A 36 36 ILE H H 32 9.283 8.795 0.488 1
1 374 . 17 1 1 A 36 36 ILE HA H 32 4.081 4.484 -0.403 1
1 384 . 17 1 1 A 36 36 ILE C C 32 175.854 175.187 0.667 1
1 385 . 17 1 1 A 36 36 ILE CA C 32 60.226 60.437 -0.211 1
1 386 . 17 1 1 A 36 36 ILE CB C 32 39.998 40.250 -0.252 1
1 388 . 17 1 1 A 36 36 ILE N N 32 129.240 126.947 2.293 1
1 389 . 17 1 1 A 37 37 ASP H H 33 8.298 8.850 -0.552 1
1 390 . 17 1 1 A 37 37 ASP HA H 33 4.648 4.425 0.223 1
1 393 . 17 1 1 A 37 37 ASP CA C 33 54.101 54.721 -0.620 1
1 394 . 17 1 1 A 37 37 ASP CB C 33 40.536 41.318 -0.782 1
1 395 . 17 1 1 A 37 37 ASP N N 33 125.570 128.456 -2.886 1
1 396 . 17 1 1 A 38 38 ALA H H 34 9.840 8.637 1.203 1
1 397 . 17 1 1 A 38 38 ALA HA H 34 4.620 4.346 0.274 1
1 401 . 17 1 1 A 38 38 ALA C C 34 175.185 175.823 -0.638 1
1 402 . 17 1 1 A 38 38 ALA CA C 34 51.239 51.939 -0.700 1
1 403 . 17 1 1 A 38 38 ALA CB C 34 20.627 17.360 3.267 1
1 404 . 17 1 1 A 38 38 ALA N N 34 134.980 126.579 8.401 1
1 405 . 17 1 1 A 39 39 SER H H 35 8.679 7.897 0.782 1
1 406 . 17 1 1 A 39 39 SER HA H 35 4.189 4.906 -0.717 1
1 409 . 17 1 1 A 39 39 SER C C 35 175.713 174.559 1.154 1
1 410 . 17 1 1 A 39 39 SER CA C 35 60.956 58.020 2.936 1
1 411 . 17 1 1 A 39 39 SER CB C 35 64.425 65.068 -0.643 1
1 412 . 17 1 1 A 39 39 SER N N 35 111.865 115.104 -3.239 1
1 413 . 17 1 1 A 40 40 THR H H 36 8.438 8.774 -0.336 1
1 414 . 17 1 1 A 40 40 THR HA H 36 4.672 3.917 0.755 1
1 419 . 17 1 1 A 40 40 THR CA C 36 59.859 65.634 -5.775 1
1 421 . 17 1 1 A 40 40 THR N N 36 114.335 119.826 -5.491 1
1 422 . 17 1 1 A 41 41 SER C C 37 174.129 175.568 -1.439 1
1 423 . 17 1 1 A 41 41 SER CA C 37 60.964 61.091 -0.127 1
1 424 . 17 1 1 A 41 41 SER CB C 37 63.605 63.325 0.280 1
1 425 . 17 1 1 A 42 42 LEU H H 38 8.643 8.067 0.576 1
1 426 . 17 1 1 A 42 42 LEU HA H 38 4.679 4.482 0.197 1
1 436 . 17 1 1 A 42 42 LEU C C 38 176.347 177.466 -1.119 1
1 437 . 17 1 1 A 42 42 LEU CA C 38 54.842 55.833 -0.991 1
1 438 . 17 1 1 A 42 42 LEU CB C 38 41.117 44.366 -3.249 1
1 439 . 17 1 1 A 42 42 LEU N N 38 121.245 118.406 2.839 1
1 440 . 17 1 1 A 43 43 ARG H H 39 7.583 8.648 -1.065 1
1 441 . 17 1 1 A 43 43 ARG HA H 39 4.173 3.848 0.325 1
1 448 . 17 1 1 A 43 43 ARG C C 39 175.925 178.247 -2.322 1
1 449 . 17 1 1 A 43 43 ARG CA C 39 60.907 59.342 1.565 1
1 450 . 17 1 1 A 43 43 ARG N N 39 123.341 119.757 3.584 1
1 451 . 17 1 1 A 44 44 GLN H H 40 8.203 7.960 0.243 1
1 452 . 17 1 1 A 44 44 GLN HA H 40 3.974 3.979 -0.005 1
1 459 . 17 1 1 A 44 44 GLN C C 40 175.608 178.397 -2.789 1
1 460 . 17 1 1 A 44 44 GLN CA C 40 58.622 59.091 -0.469 1
1 461 . 17 1 1 A 44 44 GLN CB C 40 28.591 28.202 0.389 1
1 464 . 17 1 1 A 44 44 GLN N N 40 114.940 118.084 -3.144 1
1 466 . 17 1 1 A 45 45 GLU H H 41 7.616 7.992 -0.376 1
1 467 . 17 1 1 A 45 45 GLU HA H 41 3.947 4.031 -0.084 1
1 472 . 17 1 1 A 45 45 GLU CA C 41 59.009 59.309 -0.300 1
1 473 . 17 1 1 A 45 45 GLU CB C 41 30.110 29.774 0.336 1
1 474 . 17 1 1 A 45 45 GLU N N 41 120.916 119.536 1.380 1
1 475 . 17 1 1 A 46 46 MET H H 42 7.474 8.057 -0.583 1
1 476 . 17 1 1 A 46 46 MET HA H 42 4.778 4.195 0.583 1
1 483 . 17 1 1 A 46 46 MET C C 42 176.347 178.111 -1.764 1
1 484 . 17 1 1 A 46 46 MET CA C 42 59.567 58.376 1.191 1
1 485 . 17 1 1 A 46 46 MET CB C 42 30.294 32.704 -2.410 1
1 487 . 17 1 1 A 46 46 MET N N 42 118.736 119.211 -0.475 1
1 488 . 17 1 1 A 47 47 VAL H H 43 8.006 8.640 -0.634 1
1 489 . 17 1 1 A 47 47 VAL HA H 43 3.624 3.453 0.171 1
1 497 . 17 1 1 A 47 47 VAL C C 43 176.911 177.097 -0.186 1
1 498 . 17 1 1 A 47 47 VAL CA C 43 65.362 65.068 0.294 1
1 499 . 17 1 1 A 47 47 VAL CB C 43 31.859 30.373 1.486 1
1 501 . 17 1 1 A 47 47 VAL N N 43 116.804 118.945 -2.141 1
1 502 . 17 1 1 A 48 48 GLN H H 44 7.935 7.589 0.346 1
1 503 . 17 1 1 A 48 48 GLN HA H 44 3.972 3.950 0.022 1
1 510 . 17 1 1 A 48 48 GLN C C 44 178.636 178.197 0.439 1
1 511 . 17 1 1 A 48 48 GLN CA C 44 58.472 59.063 -0.591 1
1 512 . 17 1 1 A 48 48 GLN CB C 44 30.542 28.136 2.406 1
1 513 . 17 1 1 A 48 48 GLN N N 44 117.704 120.723 -3.019 1
1 515 . 17 1 1 A 49 49 ARG H H 45 8.100 8.038 0.062 1
1 516 . 17 1 1 A 49 49 ARG HA H 45 3.906 4.088 -0.182 1
1 521 . 17 1 1 A 49 49 ARG CA C 45 59.397 58.538 0.859 1
1 522 . 17 1 1 A 49 49 ARG CB C 45 29.993 29.968 0.025 1
1 523 . 17 1 1 A 49 49 ARG N N 45 120.984 119.855 1.129 1
1 524 . 17 1 1 A 50 50 ALA H H 46 8.279 7.467 0.812 1
1 525 . 17 1 1 A 50 50 ALA HA H 46 3.782 4.152 -0.370 1
1 529 . 17 1 1 A 50 50 ALA C C 46 178.073 178.726 -0.653 1
1 530 . 17 1 1 A 50 50 ALA CA C 46 51.408 54.228 -2.820 1
1 531 . 17 1 1 A 50 50 ALA CB C 46 18.883 18.707 0.176 1
1 532 . 17 1 1 A 50 50 ALA N N 46 118.254 122.190 -3.936 1
1 533 . 17 1 1 A 51 51 ASN H H 47 7.706 7.970 -0.264 1
1 534 . 17 1 1 A 51 51 ASN HA H 47 4.420 5.194 -0.774 1
1 539 . 17 1 1 A 51 51 ASN C C 47 174.974 175.753 -0.779 1
1 540 . 17 1 1 A 51 51 ASN CA C 47 54.303 53.151 1.152 1
1 541 . 17 1 1 A 51 51 ASN CB C 47 37.804 41.105 -3.301 1
1 543 . 17 1 1 A 51 51 ASN N N 47 115.277 112.283 2.994 1
1 545 . 17 1 1 A 52 52 GLY H H 48 8.702 7.405 1.297 1
1 546 . 17 1 1 A 52 52 GLY HA2 H 48 4.267 4.027 0.240 1
1 547 . 17 1 1 A 52 52 GLY HA3 H 48 3.379 4.030 -0.651 1
1 548 . 17 1 1 A 52 52 GLY CA C 48 45.176 45.530 -0.354 1
1 549 . 17 1 1 A 52 52 GLY N N 48 104.035 107.260 -3.225 1
1 550 . 17 1 1 A 53 53 ARG H H 49 7.116 7.949 -0.833 1
1 551 . 17 1 1 A 53 53 ARG HA H 49 4.144 4.667 -0.523 1
1 558 . 17 1 1 A 53 53 ARG C C 49 176.101 173.760 2.341 1
1 559 . 17 1 1 A 53 53 ARG CA C 49 57.285 55.617 1.668 1
1 560 . 17 1 1 A 53 53 ARG N N 49 121.384 119.168 2.216 1
1 561 . 17 1 1 A 54 54 ASN H H 50 7.958 8.742 -0.784 1
1 562 . 17 1 1 A 54 54 ASN HA H 50 4.589 5.421 -0.832 1
1 567 . 17 1 1 A 54 54 ASN CA C 50 51.568 51.994 -0.426 1
1 568 . 17 1 1 A 54 54 ASN CB C 50 38.018 42.746 -4.728 1
1 570 . 17 1 1 A 54 54 ASN N N 50 116.546 123.679 -7.133 1
1 572 . 17 1 1 A 55 55 THR H H 51 6.818 8.789 -1.971 1
1 573 . 17 1 1 A 55 55 THR HA H 51 4.283 4.588 -0.305 1
1 578 . 17 1 1 A 55 55 THR C C 51 172.509 172.911 -0.402 1
1 579 . 17 1 1 A 55 55 THR CA C 51 59.829 61.040 -1.211 1
1 580 . 17 1 1 A 55 55 THR CB C 51 70.400 69.465 0.935 1
1 582 . 17 1 1 A 55 55 THR N N 51 108.070 116.803 -8.733 1
1 583 . 17 1 1 A 56 56 PHE H H 52 8.444 7.641 0.803 1
1 584 . 17 1 1 A 56 56 PHE HA H 52 4.730 4.875 -0.145 1
1 592 . 17 1 1 A 56 56 PHE CA C 52 55.529 55.800 -0.271 1
1 593 . 17 1 1 A 56 56 PHE N N 52 116.926 119.996 -3.070 1
1 594 . 17 1 1 A 57 57 PRO CA C 53 62.827 63.059 -0.232 1
1 595 . 17 1 1 A 57 57 PRO CB C 53 35.258 32.624 2.634 1
1 596 . 17 1 1 A 58 58 GLN H H 54 8.070 8.767 -0.697 1
1 597 . 17 1 1 A 58 58 GLN HA H 54 4.853 4.909 -0.056 1
1 604 . 17 1 1 A 58 58 GLN C C 54 175.291 172.903 2.388 1
1 605 . 17 1 1 A 58 58 GLN CA C 54 55.071 55.168 -0.097 1
1 606 . 17 1 1 A 58 58 GLN CB C 54 32.237 31.047 1.190 1
1 607 . 17 1 1 A 58 58 GLN N N 54 113.697 116.813 -3.116 1
1 609 . 17 1 1 A 59 59 ILE H H 55 8.753 8.709 0.044 1
1 610 . 17 1 1 A 59 59 ILE HA H 55 5.089 4.824 0.265 1
1 620 . 17 1 1 A 59 59 ILE C C 55 174.164 174.533 -0.369 1
1 621 . 17 1 1 A 59 59 ILE CA C 55 61.194 60.442 0.752 1
1 622 . 17 1 1 A 59 59 ILE CB C 55 40.657 39.737 0.920 1
1 625 . 17 1 1 A 59 59 ILE N N 55 122.202 121.782 0.420 1
1 626 . 17 1 1 A 60 60 PHE H H 56 9.564 9.285 0.279 1
1 627 . 17 1 1 A 60 60 PHE HA H 56 5.390 5.270 0.120 1
1 635 . 17 1 1 A 60 60 PHE C C 56 174.305 174.060 0.245 1
1 636 . 17 1 1 A 60 60 PHE CA C 56 56.614 56.365 0.249 1
1 637 . 17 1 1 A 60 60 PHE CB C 56 42.488 42.448 0.040 1
1 638 . 17 1 1 A 60 60 PHE N N 56 127.604 128.076 -0.472 1
1 639 . 17 1 1 A 61 61 ILE H H 57 9.231 9.121 0.110 1
1 640 . 17 1 1 A 61 61 ILE HA H 57 4.483 4.573 -0.090 1
1 650 . 17 1 1 A 61 61 ILE C C 57 176.418 176.358 0.060 1
1 651 . 17 1 1 A 61 61 ILE CA C 57 60.800 60.158 0.642 1
1 652 . 17 1 1 A 61 61 ILE CB C 57 39.431 39.292 0.139 1
1 656 . 17 1 1 A 61 61 ILE N N 57 121.606 128.308 -6.702 1
1 657 . 17 1 1 A 62 62 GLY H H 58 9.118 9.136 -0.018 1
1 658 . 17 1 1 A 62 62 GLY HA2 H 58 4.092 3.957 0.135 1
1 659 . 17 1 1 A 62 62 GLY HA3 H 58 3.951 3.974 -0.023 1
1 660 . 17 1 1 A 62 62 GLY C C 58 174.058 174.714 -0.656 1
1 661 . 17 1 1 A 62 62 GLY CA C 58 47.516 47.527 -0.011 1
1 662 . 17 1 1 A 62 62 GLY N N 58 118.483 118.389 0.094 1
1 663 . 17 1 1 A 63 63 ASP H H 59 8.944 8.789 0.155 1
1 664 . 17 1 1 A 63 63 ASP HA H 59 4.762 5.041 -0.279 1
1 667 . 17 1 1 A 63 63 ASP C C 59 175.220 174.221 0.999 1
1 668 . 17 1 1 A 63 63 ASP CA C 59 54.467 54.054 0.413 1
1 669 . 17 1 1 A 63 63 ASP CB C 59 40.913 41.846 -0.933 1
1 670 . 17 1 1 A 63 63 ASP N N 59 125.981 126.222 -0.241 1
1 671 . 17 1 1 A 64 64 TYR H H 60 8.332 7.639 0.693 1
1 672 . 17 1 1 A 64 64 TYR HA H 60 4.600 4.698 -0.098 1
1 679 . 17 1 1 A 64 64 TYR C C 60 174.023 173.441 0.582 1
1 680 . 17 1 1 A 64 64 TYR CA C 60 57.761 57.523 0.238 1
1 681 . 17 1 1 A 64 64 TYR CB C 60 33.473 41.999 -8.526 1
1 682 . 17 1 1 A 64 64 TYR N N 60 122.443 121.131 1.312 1
1 683 . 17 1 1 A 65 65 HIS H H 61 8.625 7.637 0.988 1
1 684 . 17 1 1 A 65 65 HIS HA H 61 4.200 4.574 -0.374 1
1 689 . 17 1 1 A 65 65 HIS C C 61 171.910 174.612 -2.702 1
1 690 . 17 1 1 A 65 65 HIS CA C 61 53.347 53.000 0.347 1
1 691 . 17 1 1 A 65 65 HIS CB C 61 28.830 31.389 -2.559 1
1 692 . 17 1 1 A 65 65 HIS N N 61 129.863 120.923 8.940 1
1 693 . 17 1 1 A 66 66 VAL H H 62 8.059 8.550 -0.491 1
1 694 . 17 1 1 A 66 66 VAL HA H 62 3.316 3.520 -0.204 1
1 702 . 17 1 1 A 66 66 VAL CA C 62 64.194 64.679 -0.485 1
1 703 . 17 1 1 A 66 66 VAL CB C 62 32.770 32.069 0.701 1
1 705 . 17 1 1 A 66 66 VAL N N 62 129.219 122.268 6.951 1
1 706 . 17 1 1 A 67 67 GLY H H 63 6.327 7.835 -1.508 1
1 707 . 17 1 1 A 67 67 GLY HA2 H 63 4.503 4.002 0.501 1
1 708 . 17 1 1 A 67 67 GLY HA3 H 63 2.870 4.023 -1.153 1
1 709 . 17 1 1 A 67 67 GLY C C 63 172.156 173.973 -1.817 1
1 710 . 17 1 1 A 67 67 GLY CA C 63 43.551 45.179 -1.628 1
1 711 . 17 1 1 A 67 67 GLY N N 63 102.548 108.252 -5.704 1
1 712 . 17 1 1 A 68 68 GLY H H 64 9.095 7.932 1.163 1
1 713 . 17 1 1 A 68 68 GLY HA2 H 64 4.863 4.133 0.730 1
1 714 . 17 1 1 A 68 68 GLY HA3 H 64 3.821 4.148 -0.327 1
1 715 . 17 1 1 A 68 68 GLY C C 64 172.509 174.511 -2.002 1
1 716 . 17 1 1 A 68 68 GLY CA C 64 43.870 44.347 -0.477 1
1 717 . 17 1 1 A 68 68 GLY N N 64 110.080 107.463 2.617 1
1 718 . 17 1 1 A 69 69 CYS H H 65 8.398 9.245 -0.847 1
1 719 . 17 1 1 A 69 69 CYS HA H 65 3.846 3.931 -0.085 1
1 722 . 17 1 1 A 69 69 CYS C C 65 173.741 176.403 -2.662 1
1 723 . 17 1 1 A 69 69 CYS CA C 65 62.944 61.447 1.497 1
1 724 . 17 1 1 A 69 69 CYS CB C 65 45.022 26.798 18.224 1
1 725 . 17 1 1 A 69 69 CYS N N 65 118.292 120.317 -2.025 1
1 726 . 17 1 1 A 70 70 ASP H H 66 9.110 8.334 0.776 1
1 727 . 17 1 1 A 70 70 ASP HA H 66 5.745 4.451 1.294 1
1 730 . 17 1 1 A 70 70 ASP C C 66 178.777 178.111 0.666 1
1 731 . 17 1 1 A 70 70 ASP CA C 66 57.437 56.979 0.458 1
1 732 . 17 1 1 A 70 70 ASP CB C 66 40.016 41.324 -1.308 1
1 733 . 17 1 1 A 70 70 ASP N N 66 123.178 120.963 2.215 1
1 734 . 17 1 1 A 71 71 ASP H H 67 7.301 7.954 -0.653 1
1 735 . 17 1 1 A 71 71 ASP HA H 67 4.362 4.417 -0.055 1
1 738 . 17 1 1 A 71 71 ASP C C 67 177.474 178.749 -1.275 1
1 739 . 17 1 1 A 71 71 ASP CA C 67 57.381 57.249 0.132 1
1 740 . 17 1 1 A 71 71 ASP CB C 67 41.503 40.461 1.042 1
1 741 . 17 1 1 A 71 71 ASP N N 67 119.848 118.495 1.353 1
1 742 . 17 1 1 A 72 72 LEU H H 68 7.805 7.147 0.658 1
1 743 . 17 1 1 A 72 72 LEU HA H 68 3.822 3.917 -0.095 1
1 753 . 17 1 1 A 72 72 LEU C C 68 177.509 178.961 -1.452 1
1 754 . 17 1 1 A 72 72 LEU CA C 68 58.446 57.821 0.625 1
1 755 . 17 1 1 A 72 72 LEU CB C 68 42.524 40.943 1.581 1
1 757 . 17 1 1 A 72 72 LEU N N 68 121.720 117.676 4.044 1
1 758 . 17 1 1 A 73 73 TYR H H 69 8.229 7.291 0.938 1
1 759 . 17 1 1 A 73 73 TYR HA H 69 3.772 4.273 -0.501 1
1 766 . 17 1 1 A 73 73 TYR C C 69 177.721 178.612 -0.891 1
1 767 . 17 1 1 A 73 73 TYR CA C 69 62.867 60.281 2.586 1
1 768 . 17 1 1 A 73 73 TYR CB C 69 38.215 37.635 0.580 1
1 769 . 17 1 1 A 73 73 TYR N N 69 116.501 119.504 -3.003 1
1 770 . 17 1 1 A 74 74 ALA H H 70 8.275 8.288 -0.013 1
1 771 . 17 1 1 A 74 74 ALA HA H 70 4.286 4.048 0.238 1
1 775 . 17 1 1 A 74 74 ALA C C 70 180.045 180.029 0.016 1
1 776 . 17 1 1 A 74 74 ALA CA C 70 55.701 55.271 0.430 1
1 777 . 17 1 1 A 74 74 ALA CB C 70 17.944 17.812 0.132 1
1 778 . 17 1 1 A 74 74 ALA N N 70 122.883 122.595 0.288 1
1 779 . 17 1 1 A 75 75 LEU H H 71 7.558 8.220 -0.662 1
1 780 . 17 1 1 A 75 75 LEU HA H 71 3.975 3.837 0.138 1
1 790 . 17 1 1 A 75 75 LEU C C 71 179.024 178.904 0.120 1
1 791 . 17 1 1 A 75 75 LEU CA C 71 57.994 58.186 -0.192 1
1 792 . 17 1 1 A 75 75 LEU CB C 71 42.836 41.507 1.329 1
1 793 . 17 1 1 A 75 75 LEU N N 71 117.133 118.656 -1.523 1
1 794 . 17 1 1 A 76 76 GLU H H 72 7.587 8.256 -0.669 1
1 795 . 17 1 1 A 76 76 GLU HA H 72 4.473 3.866 0.607 1
1 800 . 17 1 1 A 76 76 GLU C C 72 179.270 178.610 0.660 1
1 801 . 17 1 1 A 76 76 GLU CA C 72 58.296 59.911 -1.615 1
1 802 . 17 1 1 A 76 76 GLU CB C 72 28.457 29.269 -0.812 1
1 803 . 17 1 1 A 76 76 GLU N N 72 121.576 119.148 2.428 1
1 804 . 17 1 1 A 77 77 ASN H H 73 8.863 8.011 0.852 1
1 805 . 17 1 1 A 77 77 ASN HA H 73 4.511 4.476 0.035 1
1 810 . 17 1 1 A 77 77 ASN C C 73 176.664 177.189 -0.525 1
1 811 . 17 1 1 A 77 77 ASN CA C 73 55.944 55.542 0.402 1
1 812 . 17 1 1 A 77 77 ASN CB C 73 38.660 38.553 0.107 1
1 814 . 17 1 1 A 77 77 ASN N N 73 120.232 117.921 2.311 1
1 816 . 17 1 1 A 78 78 LYS H H 74 7.617 7.651 -0.034 1
1 817 . 17 1 1 A 78 78 LYS HA H 74 4.426 4.303 0.123 1
1 826 . 17 1 1 A 78 78 LYS C C 74 176.312 176.410 -0.098 1
1 827 . 17 1 1 A 78 78 LYS CA C 74 55.863 56.317 -0.454 1
1 828 . 17 1 1 A 78 78 LYS CB C 74 33.482 32.927 0.555 1
1 829 . 17 1 1 A 78 78 LYS N N 74 115.597 116.438 -0.841 1
1 830 . 17 1 1 A 79 79 GLY H H 75 8.023 7.610 0.413 1
1 831 . 17 1 1 A 79 79 GLY HA2 H 75 4.060 3.983 0.077 1
1 832 . 17 1 1 A 79 79 GLY HA3 H 75 4.060 3.986 0.074 1
1 833 . 17 1 1 A 79 79 GLY C C 75 175.009 175.766 -0.757 1
1 834 . 17 1 1 A 79 79 GLY CA C 75 46.234 45.225 1.009 1
1 835 . 17 1 1 A 79 79 GLY N N 75 109.073 105.634 3.439 1
1 836 . 17 1 1 A 80 80 LYS H H 76 8.091 8.563 -0.472 1
1 837 . 17 1 1 A 80 80 LYS HA H 76 4.422 4.281 0.141 1
1 846 . 17 1 1 A 80 80 LYS C C 76 173.037 177.829 -4.792 1
1 847 . 17 1 1 A 80 80 LYS CA C 76 55.679 56.873 -1.194 1
1 848 . 17 1 1 A 80 80 LYS CB C 76 35.038 32.264 2.774 1
1 849 . 17 1 1 A 80 80 LYS N N 76 116.888 120.779 -3.891 1
1 850 . 17 1 1 A 81 81 LEU H H 77 7.411 7.810 -0.399 1
1 851 . 17 1 1 A 81 81 LEU HA H 77 4.003 3.953 0.050 1
1 861 . 17 1 1 A 81 81 LEU C C 77 177.333 177.858 -0.525 1
1 862 . 17 1 1 A 81 81 LEU CA C 77 57.512 58.042 -0.530 1
1 863 . 17 1 1 A 81 81 LEU CB C 77 40.676 41.338 -0.662 1
1 864 . 17 1 1 A 81 81 LEU N N 77 122.079 122.110 -0.031 1
1 865 . 17 1 1 A 82 82 ASP H H 78 8.613 8.449 0.164 1
1 866 . 17 1 1 A 82 82 ASP HA H 78 4.232 4.249 -0.017 1
1 869 . 17 1 1 A 82 82 ASP C C 78 178.354 178.529 -0.175 1
1 870 . 17 1 1 A 82 82 ASP CA C 78 58.438 57.749 0.689 1
1 871 . 17 1 1 A 82 82 ASP CB C 78 39.890 40.553 -0.663 1
1 872 . 17 1 1 A 82 82 ASP N N 78 118.813 118.958 -0.145 1
1 873 . 17 1 1 A 83 83 SER H H 79 7.886 7.821 0.065 1
1 874 . 17 1 1 A 83 83 SER HA H 79 4.164 4.180 -0.016 1
1 877 . 17 1 1 A 83 83 SER C C 79 176.171 177.455 -1.284 1
1 878 . 17 1 1 A 83 83 SER CA C 79 61.285 61.238 0.047 1
1 879 . 17 1 1 A 83 83 SER CB C 79 62.632 62.926 -0.294 1
1 880 . 17 1 1 A 83 83 SER N N 79 113.338 113.980 -0.642 1
1 881 . 17 1 1 A 84 84 LEU H H 80 7.354 8.334 -0.980 1
1 882 . 17 1 1 A 84 84 LEU HA H 80 4.152 3.925 0.227 1
1 892 . 17 1 1 A 84 84 LEU C C 80 173.671 178.829 -5.158 1
1 893 . 17 1 1 A 84 84 LEU CA C 80 56.841 58.212 -1.371 1
1 894 . 17 1 1 A 84 84 LEU CB C 80 42.682 42.101 0.581 1
1 897 . 17 1 1 A 84 84 LEU N N 80 121.453 121.810 -0.357 1
1 898 . 17 1 1 A 85 85 LEU H H 81 7.655 8.536 -0.881 1
1 899 . 17 1 1 A 85 85 LEU HA H 81 4.113 3.792 0.321 1
1 909 . 17 1 1 A 85 85 LEU C C 81 177.333 178.784 -1.451 1
1 910 . 17 1 1 A 85 85 LEU CA C 81 55.748 58.136 -2.388 1
1 911 . 17 1 1 A 85 85 LEU CB C 81 41.707 41.249 0.458 1
1 914 . 17 1 1 A 85 85 LEU N N 81 115.497 118.148 -2.651 1
1 915 . 17 1 1 A 86 86 GLN H H 82 7.414 8.186 -0.772 1
1 916 . 17 1 1 A 86 86 GLN HA H 82 4.177 3.945 0.232 1
1 923 . 17 1 1 A 86 86 GLN C C 82 175.537 177.198 -1.661 1
1 924 . 17 1 1 A 86 86 GLN CA C 82 56.986 58.414 -1.428 1
1 925 . 17 1 1 A 86 86 GLN CB C 82 29.187 28.901 0.286 1
1 928 . 17 1 1 A 86 86 GLN N N 82 117.020 118.069 -1.049 1
1 930 . 17 1 1 A 87 87 ASP H H 83 8.092 7.804 0.288 1
1 931 . 17 1 1 A 87 87 ASP HA H 83 4.672 4.552 0.120 1
1 934 . 17 1 1 A 87 87 ASP C C 83 177.263 178.554 -1.291 1
1 935 . 17 1 1 A 87 87 ASP CA C 83 54.394 56.458 -2.064 1
1 936 . 17 1 1 A 87 87 ASP CB C 83 40.722 40.981 -0.259 1
1 937 . 17 1 1 A 87 87 ASP N N 83 119.072 118.553 0.519 1
1 938 . 17 1 1 A 88 88 VAL H H 84 7.692 8.470 -0.778 1
1 939 . 17 1 1 A 88 88 VAL HA H 84 4.175 3.928 0.247 1
1 947 . 17 1 1 A 88 88 VAL C C 84 174.164 177.917 -3.753 1
1 948 . 17 1 1 A 88 88 VAL CA C 84 62.165 65.575 -3.410 1
1 949 . 17 1 1 A 88 88 VAL CB C 84 32.284 31.492 0.792 1
1 952 . 17 1 1 A 88 88 VAL N N 84 118.778 115.963 2.815 1
1 1 . 18 1 1 A 2 2 PRO C C -2 177.005 176.571 0.434 1
1 2 . 18 1 1 A 2 2 PRO CA C -2 63.481 62.393 1.088 1
1 3 . 18 1 1 A 2 2 PRO CB C -2 32.244 33.144 -0.900 1
1 4 . 18 1 1 A 3 3 GLY H H -1 8.665 8.393 0.272 1
1 5 . 18 1 1 A 3 3 GLY HA2 H -1 3.985 4.060 -0.075 1
1 6 . 18 1 1 A 3 3 GLY HA3 H -1 3.985 4.072 -0.087 1
1 7 . 18 1 1 A 3 3 GLY C C -1 173.706 173.166 0.540 1
1 8 . 18 1 1 A 3 3 GLY CA C -1 45.291 45.279 0.012 1
1 9 . 18 1 1 A 3 3 GLY N N -1 109.788 108.708 1.080 1
1 10 . 18 1 1 A 4 4 SER H H 0 8.190 8.764 -0.574 1
1 11 . 18 1 1 A 4 4 SER HA H 0 4.477 5.128 -0.651 1
1 14 . 18 1 1 A 4 4 SER C C 0 175.738 172.764 2.974 1
1 15 . 18 1 1 A 4 4 SER CA C 0 58.322 57.859 0.463 1
1 16 . 18 1 1 A 4 4 SER CB C 0 63.927 65.905 -1.978 1
1 17 . 18 1 1 A 4 4 SER N N 0 115.613 114.120 1.493 1
1 18 . 18 1 1 A 5 5 MET H H 1 8.458 8.678 -0.220 1
1 19 . 18 1 1 A 5 5 MET HA H 1 4.320 5.252 -0.932 1
1 27 . 18 1 1 A 5 5 MET C C 1 173.977 174.603 -0.626 1
1 28 . 18 1 1 A 5 5 MET CA C 1 56.011 55.007 1.004 1
1 29 . 18 1 1 A 5 5 MET CB C 1 33.797 36.131 -2.334 1
1 30 . 18 1 1 A 5 5 MET N N 1 122.334 121.247 1.087 1
1 31 . 18 1 1 A 6 6 LYS H H 2 8.445 8.978 -0.533 1
1 32 . 18 1 1 A 6 6 LYS HA H 2 4.566 4.952 -0.386 1
1 39 . 18 1 1 A 6 6 LYS C C 2 174.575 175.398 -0.823 1
1 40 . 18 1 1 A 6 6 LYS CA C 2 55.887 54.323 1.564 1
1 41 . 18 1 1 A 6 6 LYS CB C 2 33.848 37.010 -3.162 1
1 42 . 18 1 1 A 6 6 LYS N N 2 122.229 122.969 -0.740 1
1 43 . 18 1 1 A 7 7 GLU H H 3 8.324 8.858 -0.534 1
1 44 . 18 1 1 A 7 7 GLU HA H 3 4.440 5.051 -0.611 1
1 49 . 18 1 1 A 7 7 GLU C C 3 175.491 174.515 0.976 1
1 50 . 18 1 1 A 7 7 GLU CA C 3 55.680 54.720 0.960 1
1 51 . 18 1 1 A 7 7 GLU CB C 3 31.513 33.319 -1.806 1
1 52 . 18 1 1 A 7 7 GLU N N 3 121.539 117.843 3.696 1
1 53 . 18 1 1 A 8 8 ILE H H 4 9.014 8.799 0.215 1
1 54 . 18 1 1 A 8 8 ILE HA H 4 5.025 5.163 -0.138 1
1 64 . 18 1 1 A 8 8 ILE C C 4 174.199 174.012 0.187 1
1 65 . 18 1 1 A 8 8 ILE CA C 4 60.927 59.634 1.293 1
1 66 . 18 1 1 A 8 8 ILE CB C 4 38.759 40.933 -2.174 1
1 69 . 18 1 1 A 8 8 ILE N N 4 127.255 123.731 3.524 1
1 70 . 18 1 1 A 9 9 ILE H H 5 9.104 9.383 -0.279 1
1 71 . 18 1 1 A 9 9 ILE HA H 5 4.900 4.961 -0.061 1
1 81 . 18 1 1 A 9 9 ILE C C 5 173.906 175.291 -1.385 1
1 82 . 18 1 1 A 9 9 ILE CA C 5 59.727 59.373 0.354 1
1 83 . 18 1 1 A 9 9 ILE CB C 5 41.627 41.943 -0.316 1
1 87 . 18 1 1 A 9 9 ILE N N 5 128.326 128.482 -0.156 1
1 88 . 18 1 1 A 10 10 LEU H H 6 8.891 8.906 -0.015 1
1 89 . 18 1 1 A 10 10 LEU HA H 6 5.157 5.263 -0.106 1
1 96 . 18 1 1 A 10 10 LEU CA C 6 54.076 53.521 0.555 1
1 97 . 18 1 1 A 10 10 LEU CB C 6 44.892 44.309 0.583 1
1 100 . 18 1 1 A 10 10 LEU N N 6 125.779 124.265 1.514 1
1 101 . 18 1 1 A 11 11 TYR H H 7 9.099 9.119 -0.020 1
1 102 . 18 1 1 A 11 11 TYR HA H 7 4.336 5.316 -0.980 1
1 109 . 18 1 1 A 11 11 TYR C C 7 177.041 175.490 1.551 1
1 110 . 18 1 1 A 11 11 TYR CA C 7 57.379 56.939 0.440 1
1 111 . 18 1 1 A 11 11 TYR CB C 7 40.345 39.284 1.061 1
1 112 . 18 1 1 A 12 12 THR H H 8 9.286 8.627 0.659 1
1 113 . 18 1 1 A 12 12 THR HA H 8 5.105 5.028 0.077 1
1 118 . 18 1 1 A 12 12 THR C C 8 172.005 173.165 -1.160 1
1 119 . 18 1 1 A 12 12 THR CA C 8 60.604 61.058 -0.454 1
1 120 . 18 1 1 A 12 12 THR CB C 8 73.108 71.016 2.092 1
1 122 . 18 1 1 A 12 12 THR N N 8 111.938 114.946 -3.008 1
1 123 . 18 1 1 A 13 13 ARG H H 9 7.513 8.568 -1.055 1
1 124 . 18 1 1 A 13 13 ARG HA H 9 4.826 4.816 0.010 1
1 131 . 18 1 1 A 13 13 ARG CA C 9 52.836 54.253 -1.417 1
1 132 . 18 1 1 A 13 13 ARG CB C 9 31.436 30.955 0.481 1
1 133 . 18 1 1 A 13 13 ARG N N 9 114.036 120.628 -6.592 1
1 134 . 18 1 1 A 14 14 PRO HA H 10 4.294 4.505 -0.211 1
1 141 . 18 1 1 A 14 14 PRO C C 10 176.477 176.486 -0.009 1
1 142 . 18 1 1 A 14 14 PRO CA C 10 63.464 64.252 -0.788 1
1 143 . 18 1 1 A 14 14 PRO CB C 10 32.615 31.634 0.981 1
1 144 . 18 1 1 A 15 15 ASN H H 11 8.987 8.322 0.665 1
1 145 . 18 1 1 A 15 15 ASN HA H 11 4.240 4.946 -0.706 1
1 150 . 18 1 1 A 15 15 ASN C C 11 176.266 173.808 2.458 1
1 151 . 18 1 1 A 15 15 ASN CA C 11 54.464 52.632 1.832 1
1 152 . 18 1 1 A 15 15 ASN CB C 11 37.500 37.586 -0.086 1
1 154 . 18 1 1 A 15 15 ASN N N 11 115.463 116.032 -0.569 1
1 156 . 18 1 1 A 16 16 CYS H H 12 7.324 7.795 -0.471 1
1 157 . 18 1 1 A 16 16 CYS HA H 12 4.931 4.952 -0.021 1
1 160 . 18 1 1 A 16 16 CYS CA C 12 56.277 56.672 -0.395 1
1 161 . 18 1 1 A 16 16 CYS N N 12 123.174 117.902 5.272 1
1 162 . 18 1 1 A 17 17 PRO C C 13 178.555 176.675 1.880 1
1 163 . 18 1 1 A 17 17 PRO CA C 13 64.409 64.019 0.390 1
1 164 . 18 1 1 A 17 17 PRO CB C 13 33.538 31.558 1.980 1
1 165 . 18 1 1 A 18 18 TYR H H 14 9.325 7.904 1.421 1
1 166 . 18 1 1 A 18 18 TYR HA H 14 4.404 4.440 -0.036 1
1 173 . 18 1 1 A 18 18 TYR CA C 14 60.921 59.560 1.361 1
1 174 . 18 1 1 A 18 18 TYR N N 14 127.149 115.340 11.809 1
1 175 . 18 1 1 A 19 19 CYS H H 15 9.687 7.977 1.710 1
1 176 . 18 1 1 A 19 19 CYS HA H 15 4.725 4.057 0.668 1
1 177 . 18 1 1 A 19 19 CYS C C 15 174.998 177.549 -2.551 1
1 178 . 18 1 1 A 19 19 CYS CA C 15 64.573 62.535 2.038 1
1 179 . 18 1 1 A 19 19 CYS CB C 15 29.227 27.022 2.205 1
1 180 . 18 1 1 A 19 19 CYS N N 15 127.652 118.962 8.690 1
1 181 . 18 1 1 A 20 20 LYS H H 16 7.706 8.102 -0.396 1
1 182 . 18 1 1 A 20 20 LYS HA H 16 3.946 3.957 -0.011 1
1 191 . 18 1 1 A 20 20 LYS C C 16 177.252 179.465 -2.213 1
1 192 . 18 1 1 A 20 20 LYS CA C 16 59.857 59.987 -0.130 1
1 193 . 18 1 1 A 20 20 LYS CB C 16 32.542 32.399 0.143 1
1 194 . 18 1 1 A 20 20 LYS N N 16 119.200 120.511 -1.311 1
1 195 . 18 1 1 A 21 21 ARG H H 17 7.839 7.873 -0.034 1
1 196 . 18 1 1 A 21 21 ARG HA H 17 4.176 4.088 0.088 1
1 203 . 18 1 1 A 21 21 ARG C C 17 179.858 179.020 0.838 1
1 204 . 18 1 1 A 21 21 ARG CA C 17 59.647 59.168 0.479 1
1 205 . 18 1 1 A 21 21 ARG CB C 17 30.340 29.958 0.382 1
1 206 . 18 1 1 A 21 21 ARG N N 17 117.964 119.869 -1.905 1
1 207 . 18 1 1 A 22 22 ALA H H 18 8.084 8.188 -0.104 1
1 208 . 18 1 1 A 22 22 ALA HA H 18 4.168 4.145 0.023 1
1 212 . 18 1 1 A 22 22 ALA C C 18 177.322 179.456 -2.134 1
1 213 . 18 1 1 A 22 22 ALA CA C 18 55.859 55.324 0.535 1
1 214 . 18 1 1 A 22 22 ALA CB C 18 19.047 18.136 0.911 1
1 215 . 18 1 1 A 22 22 ALA N N 18 124.839 121.633 3.206 1
1 216 . 18 1 1 A 23 23 ARG H H 19 7.811 8.313 -0.502 1
1 217 . 18 1 1 A 23 23 ARG HA H 19 3.320 3.567 -0.247 1
1 224 . 18 1 1 A 23 23 ARG C C 19 177.217 178.048 -0.831 1
1 225 . 18 1 1 A 23 23 ARG CA C 19 60.780 58.660 2.120 1
1 226 . 18 1 1 A 23 23 ARG CB C 19 30.828 29.935 0.893 1
1 227 . 18 1 1 A 23 23 ARG N N 19 116.980 117.241 -0.261 1
1 228 . 18 1 1 A 24 24 ASP H H 20 8.710 7.988 0.722 1
1 229 . 18 1 1 A 24 24 ASP HA H 20 4.299 4.431 -0.132 1
1 232 . 18 1 1 A 24 24 ASP C C 20 178.625 178.265 0.360 1
1 233 . 18 1 1 A 24 24 ASP CA C 20 57.477 57.061 0.416 1
1 234 . 18 1 1 A 24 24 ASP CB C 20 40.551 40.951 -0.400 1
1 235 . 18 1 1 A 24 24 ASP N N 20 116.717 120.071 -3.354 1
1 236 . 18 1 1 A 25 25 LEU H H 21 7.114 7.890 -0.776 1
1 237 . 18 1 1 A 25 25 LEU HA H 21 4.131 4.066 0.065 1
1 246 . 18 1 1 A 25 25 LEU C C 21 177.580 178.245 -0.665 1
1 247 . 18 1 1 A 25 25 LEU CA C 21 57.857 58.264 -0.407 1
1 248 . 18 1 1 A 25 25 LEU CB C 21 41.654 41.794 -0.140 1
1 251 . 18 1 1 A 25 25 LEU N N 21 119.808 120.588 -0.780 1
1 252 . 18 1 1 A 26 26 LEU H H 22 7.294 8.045 -0.751 1
1 253 . 18 1 1 A 26 26 LEU HA H 22 3.767 3.956 -0.189 1
1 262 . 18 1 1 A 26 26 LEU C C 22 178.696 179.096 -0.400 1
1 263 . 18 1 1 A 26 26 LEU CA C 22 58.107 58.163 -0.056 1
1 264 . 18 1 1 A 26 26 LEU CB C 22 40.750 41.360 -0.610 1
1 267 . 18 1 1 A 26 26 LEU N N 22 117.901 118.470 -0.569 1
1 268 . 18 1 1 A 27 27 ASP H H 23 9.446 8.549 0.897 1
1 269 . 18 1 1 A 27 27 ASP HA H 23 4.608 4.501 0.107 1
1 272 . 18 1 1 A 27 27 ASP C C 23 180.104 179.030 1.074 1
1 273 . 18 1 1 A 27 27 ASP CA C 23 57.406 57.533 -0.127 1
1 274 . 18 1 1 A 27 27 ASP CB C 23 39.839 40.195 -0.356 1
1 275 . 18 1 1 A 27 27 ASP N N 23 119.946 118.858 1.088 1
1 276 . 18 1 1 A 28 28 LYS H H 24 7.915 7.878 0.037 1
1 277 . 18 1 1 A 28 28 LYS HA H 24 4.079 4.065 0.014 1
1 286 . 18 1 1 A 28 28 LYS C C 24 178.414 179.111 -0.697 1
1 287 . 18 1 1 A 28 28 LYS CA C 24 59.295 59.282 0.013 1
1 288 . 18 1 1 A 28 28 LYS CB C 24 32.342 32.239 0.103 1
1 289 . 18 1 1 A 28 28 LYS N N 24 122.484 120.916 1.568 1
1 290 . 18 1 1 A 29 29 LYS H H 25 7.763 7.607 0.156 1
1 291 . 18 1 1 A 29 29 LYS HA H 25 4.195 4.204 -0.009 1
1 300 . 18 1 1 A 29 29 LYS C C 25 176.583 177.171 -0.588 1
1 301 . 18 1 1 A 29 29 LYS CA C 25 56.122 56.760 -0.638 1
1 302 . 18 1 1 A 29 29 LYS CB C 25 32.771 32.855 -0.084 1
1 303 . 18 1 1 A 29 29 LYS N N 25 116.683 115.993 0.690 1
1 304 . 18 1 1 A 30 30 GLY H H 26 7.961 8.155 -0.194 1
1 305 . 18 1 1 A 30 30 GLY HA2 H 26 4.005 3.989 0.016 1
1 306 . 18 1 1 A 30 30 GLY HA3 H 26 3.894 4.002 -0.108 1
1 307 . 18 1 1 A 30 30 GLY C C 26 174.223 173.939 0.284 1
1 308 . 18 1 1 A 30 30 GLY CA C 26 46.265 46.383 -0.118 1
1 309 . 18 1 1 A 30 30 GLY N N 26 108.209 107.216 0.993 1
1 310 . 18 1 1 A 31 31 VAL H H 27 7.440 7.485 -0.045 1
1 311 . 18 1 1 A 31 31 VAL HA H 27 4.355 4.886 -0.531 1
1 319 . 18 1 1 A 31 31 VAL C C 27 174.294 174.503 -0.209 1
1 320 . 18 1 1 A 31 31 VAL CA C 27 60.115 59.343 0.772 1
1 321 . 18 1 1 A 31 31 VAL CB C 27 33.737 35.753 -2.016 1
1 323 . 18 1 1 A 31 31 VAL N N 27 114.927 114.536 0.391 1
1 324 . 18 1 1 A 32 32 LYS H H 28 8.408 8.673 -0.265 1
1 325 . 18 1 1 A 32 32 LYS HA H 28 4.268 4.924 -0.656 1
1 334 . 18 1 1 A 32 32 LYS C C 28 175.385 175.575 -0.190 1
1 335 . 18 1 1 A 32 32 LYS CA C 28 55.441 55.051 0.390 1
1 336 . 18 1 1 A 32 32 LYS CB C 28 33.269 33.342 -0.073 1
1 337 . 18 1 1 A 32 32 LYS N N 28 124.540 121.078 3.462 1
1 338 . 18 1 1 A 33 33 TYR H H 29 7.451 8.937 -1.486 1
1 339 . 18 1 1 A 33 33 TYR HA H 29 5.149 5.711 -0.562 1
1 346 . 18 1 1 A 33 33 TYR C C 29 173.730 174.873 -1.143 1
1 347 . 18 1 1 A 33 33 TYR CA C 29 57.198 55.857 1.341 1
1 348 . 18 1 1 A 33 33 TYR CB C 29 41.499 41.194 0.305 1
1 353 . 18 1 1 A 33 33 TYR N N 29 117.090 124.044 -6.954 1
1 354 . 18 1 1 A 34 34 THR H H 30 9.106 8.953 0.153 1
1 355 . 18 1 1 A 34 34 THR HA H 30 4.368 4.827 -0.459 1
1 360 . 18 1 1 A 34 34 THR C C 30 171.336 172.910 -1.574 1
1 361 . 18 1 1 A 34 34 THR CA C 30 62.096 61.448 0.648 1
1 362 . 18 1 1 A 34 34 THR CB C 30 70.603 69.789 0.814 1
1 364 . 18 1 1 A 34 34 THR N N 30 119.343 116.908 2.435 1
1 365 . 18 1 1 A 35 35 ASP H H 31 8.772 9.007 -0.235 1
1 366 . 18 1 1 A 35 35 ASP HA H 31 5.283 4.965 0.318 1
1 369 . 18 1 1 A 35 35 ASP C C 31 175.245 174.891 0.354 1
1 370 . 18 1 1 A 35 35 ASP CA C 31 52.549 53.918 -1.369 1
1 371 . 18 1 1 A 35 35 ASP CB C 31 42.286 42.273 0.013 1
1 372 . 18 1 1 A 35 35 ASP N N 31 129.184 127.547 1.637 1
1 373 . 18 1 1 A 36 36 ILE H H 32 9.283 9.145 0.138 1
1 374 . 18 1 1 A 36 36 ILE HA H 32 4.081 4.515 -0.434 1
1 384 . 18 1 1 A 36 36 ILE C C 32 175.854 175.464 0.390 1
1 385 . 18 1 1 A 36 36 ILE CA C 32 60.226 60.210 0.016 1
1 386 . 18 1 1 A 36 36 ILE CB C 32 39.998 38.706 1.292 1
1 388 . 18 1 1 A 36 36 ILE N N 32 129.240 127.262 1.978 1
1 389 . 18 1 1 A 37 37 ASP H H 33 8.298 8.825 -0.527 1
1 390 . 18 1 1 A 37 37 ASP HA H 33 4.648 4.583 0.065 1
1 393 . 18 1 1 A 37 37 ASP CA C 33 54.101 54.861 -0.760 1
1 394 . 18 1 1 A 37 37 ASP CB C 33 40.536 41.374 -0.838 1
1 395 . 18 1 1 A 37 37 ASP N N 33 125.570 127.931 -2.361 1
1 396 . 18 1 1 A 38 38 ALA H H 34 9.840 8.699 1.141 1
1 397 . 18 1 1 A 38 38 ALA HA H 34 4.620 4.052 0.568 1
1 401 . 18 1 1 A 38 38 ALA C C 34 175.185 177.821 -2.636 1
1 402 . 18 1 1 A 38 38 ALA CA C 34 51.239 54.812 -3.573 1
1 403 . 18 1 1 A 38 38 ALA CB C 34 20.627 18.532 2.095 1
1 404 . 18 1 1 A 38 38 ALA N N 34 134.980 124.597 10.383 1
1 405 . 18 1 1 A 39 39 SER H H 35 8.679 7.584 1.095 1
1 406 . 18 1 1 A 39 39 SER HA H 35 4.189 4.331 -0.142 1
1 409 . 18 1 1 A 39 39 SER C C 35 175.713 175.635 0.078 1
1 410 . 18 1 1 A 39 39 SER CA C 35 60.956 58.711 2.245 1
1 411 . 18 1 1 A 39 39 SER CB C 35 64.425 63.920 0.505 1
1 412 . 18 1 1 A 39 39 SER N N 35 111.865 114.769 -2.904 1
1 413 . 18 1 1 A 40 40 THR H H 36 8.438 8.748 -0.310 1
1 414 . 18 1 1 A 40 40 THR HA H 36 4.672 3.967 0.705 1
1 419 . 18 1 1 A 40 40 THR CA C 36 59.859 65.387 -5.528 1
1 421 . 18 1 1 A 40 40 THR N N 36 114.335 121.473 -7.138 1
1 422 . 18 1 1 A 41 41 SER C C 37 174.129 175.615 -1.486 1
1 423 . 18 1 1 A 41 41 SER CA C 37 60.964 62.496 -1.532 1
1 424 . 18 1 1 A 41 41 SER CB C 37 63.605 62.830 0.775 1
1 425 . 18 1 1 A 42 42 LEU H H 38 8.643 7.823 0.820 1
1 426 . 18 1 1 A 42 42 LEU HA H 38 4.679 4.665 0.014 1
1 436 . 18 1 1 A 42 42 LEU C C 38 176.347 178.100 -1.753 1
1 437 . 18 1 1 A 42 42 LEU CA C 38 54.842 55.529 -0.687 1
1 438 . 18 1 1 A 42 42 LEU CB C 38 41.117 44.642 -3.525 1
1 439 . 18 1 1 A 42 42 LEU N N 38 121.245 121.202 0.043 1
1 440 . 18 1 1 A 43 43 ARG H H 39 7.583 8.433 -0.850 1
1 441 . 18 1 1 A 43 43 ARG HA H 39 4.173 3.976 0.197 1
1 448 . 18 1 1 A 43 43 ARG C C 39 175.925 178.340 -2.415 1
1 449 . 18 1 1 A 43 43 ARG CA C 39 60.907 60.027 0.880 1
1 450 . 18 1 1 A 43 43 ARG N N 39 123.341 119.849 3.492 1
1 451 . 18 1 1 A 44 44 GLN H H 40 8.203 8.070 0.133 1
1 452 . 18 1 1 A 44 44 GLN HA H 40 3.974 3.953 0.021 1
1 459 . 18 1 1 A 44 44 GLN C C 40 175.608 178.356 -2.748 1
1 460 . 18 1 1 A 44 44 GLN CA C 40 58.622 59.264 -0.642 1
1 461 . 18 1 1 A 44 44 GLN CB C 40 28.591 28.195 0.396 1
1 464 . 18 1 1 A 44 44 GLN N N 40 114.940 118.873 -3.933 1
1 466 . 18 1 1 A 45 45 GLU H H 41 7.616 8.027 -0.411 1
1 467 . 18 1 1 A 45 45 GLU HA H 41 3.947 4.039 -0.092 1
1 472 . 18 1 1 A 45 45 GLU CA C 41 59.009 59.123 -0.114 1
1 473 . 18 1 1 A 45 45 GLU CB C 41 30.110 29.759 0.351 1
1 474 . 18 1 1 A 45 45 GLU N N 41 120.916 119.597 1.319 1
1 475 . 18 1 1 A 46 46 MET H H 42 7.474 8.103 -0.629 1
1 476 . 18 1 1 A 46 46 MET HA H 42 4.778 4.123 0.655 1
1 483 . 18 1 1 A 46 46 MET C C 42 176.347 178.215 -1.868 1
1 484 . 18 1 1 A 46 46 MET CA C 42 59.567 58.197 1.370 1
1 485 . 18 1 1 A 46 46 MET CB C 42 30.294 32.908 -2.614 1
1 487 . 18 1 1 A 46 46 MET N N 42 118.736 119.530 -0.794 1
1 488 . 18 1 1 A 47 47 VAL H H 43 8.006 8.486 -0.480 1
1 489 . 18 1 1 A 47 47 VAL HA H 43 3.624 3.314 0.310 1
1 497 . 18 1 1 A 47 47 VAL C C 43 176.911 177.120 -0.209 1
1 498 . 18 1 1 A 47 47 VAL CA C 43 65.362 64.921 0.441 1
1 499 . 18 1 1 A 47 47 VAL CB C 43 31.859 30.510 1.349 1
1 501 . 18 1 1 A 47 47 VAL N N 43 116.804 118.553 -1.749 1
1 502 . 18 1 1 A 48 48 GLN H H 44 7.935 7.681 0.254 1
1 503 . 18 1 1 A 48 48 GLN HA H 44 3.972 4.180 -0.208 1
1 510 . 18 1 1 A 48 48 GLN C C 44 178.636 178.216 0.420 1
1 511 . 18 1 1 A 48 48 GLN CA C 44 58.472 59.065 -0.593 1
1 512 . 18 1 1 A 48 48 GLN CB C 44 30.542 28.176 2.366 1
1 513 . 18 1 1 A 48 48 GLN N N 44 117.704 120.340 -2.636 1
1 515 . 18 1 1 A 49 49 ARG H H 45 8.100 8.042 0.058 1
1 516 . 18 1 1 A 49 49 ARG HA H 45 3.906 4.075 -0.169 1
1 521 . 18 1 1 A 49 49 ARG CA C 45 59.397 58.582 0.815 1
1 522 . 18 1 1 A 49 49 ARG CB C 45 29.993 29.752 0.241 1
1 523 . 18 1 1 A 49 49 ARG N N 45 120.984 119.883 1.101 1
1 524 . 18 1 1 A 50 50 ALA H H 46 8.279 7.391 0.888 1
1 525 . 18 1 1 A 50 50 ALA HA H 46 3.782 4.119 -0.337 1
1 529 . 18 1 1 A 50 50 ALA C C 46 178.073 178.844 -0.771 1
1 530 . 18 1 1 A 50 50 ALA CA C 46 51.408 54.592 -3.184 1
1 531 . 18 1 1 A 50 50 ALA CB C 46 18.883 18.495 0.388 1
1 532 . 18 1 1 A 50 50 ALA N N 46 118.254 122.501 -4.247 1
1 533 . 18 1 1 A 51 51 ASN H H 47 7.706 7.935 -0.229 1
1 534 . 18 1 1 A 51 51 ASN HA H 47 4.420 5.102 -0.682 1
1 539 . 18 1 1 A 51 51 ASN C C 47 174.974 175.854 -0.880 1
1 540 . 18 1 1 A 51 51 ASN CA C 47 54.303 53.431 0.872 1
1 541 . 18 1 1 A 51 51 ASN CB C 47 37.804 40.542 -2.738 1
1 543 . 18 1 1 A 51 51 ASN N N 47 115.277 111.830 3.447 1
1 545 . 18 1 1 A 52 52 GLY H H 48 8.702 8.156 0.546 1
1 546 . 18 1 1 A 52 52 GLY HA2 H 48 4.267 4.018 0.249 1
1 547 . 18 1 1 A 52 52 GLY HA3 H 48 3.379 4.031 -0.652 1
1 548 . 18 1 1 A 52 52 GLY CA C 48 45.176 45.225 -0.049 1
1 549 . 18 1 1 A 52 52 GLY N N 48 104.035 108.505 -4.470 1
1 550 . 18 1 1 A 53 53 ARG H H 49 7.116 7.687 -0.571 1
1 551 . 18 1 1 A 53 53 ARG HA H 49 4.144 4.612 -0.468 1
1 558 . 18 1 1 A 53 53 ARG C C 49 176.101 174.099 2.002 1
1 559 . 18 1 1 A 53 53 ARG CA C 49 57.285 55.409 1.876 1
1 560 . 18 1 1 A 53 53 ARG N N 49 121.384 118.983 2.401 1
1 561 . 18 1 1 A 54 54 ASN H H 50 7.958 8.565 -0.607 1
1 562 . 18 1 1 A 54 54 ASN HA H 50 4.589 5.594 -1.005 1
1 567 . 18 1 1 A 54 54 ASN CA C 50 51.568 51.629 -0.061 1
1 568 . 18 1 1 A 54 54 ASN CB C 50 38.018 42.764 -4.746 1
1 570 . 18 1 1 A 54 54 ASN N N 50 116.546 118.993 -2.447 1
1 572 . 18 1 1 A 55 55 THR H H 51 6.818 8.717 -1.899 1
1 573 . 18 1 1 A 55 55 THR HA H 51 4.283 4.220 0.063 1
1 578 . 18 1 1 A 55 55 THR C C 51 172.509 172.635 -0.126 1
1 579 . 18 1 1 A 55 55 THR CA C 51 59.829 62.835 -3.006 1
1 580 . 18 1 1 A 55 55 THR CB C 51 70.400 69.675 0.725 1
1 582 . 18 1 1 A 55 55 THR N N 51 108.070 115.055 -6.985 1
1 583 . 18 1 1 A 56 56 PHE H H 52 8.444 7.782 0.662 1
1 584 . 18 1 1 A 56 56 PHE HA H 52 4.730 5.087 -0.357 1
1 592 . 18 1 1 A 56 56 PHE CA C 52 55.529 55.705 -0.176 1
1 593 . 18 1 1 A 56 56 PHE N N 52 116.926 117.169 -0.243 1
1 594 . 18 1 1 A 57 57 PRO CA C 53 62.827 62.850 -0.023 1
1 595 . 18 1 1 A 57 57 PRO CB C 53 35.258 33.545 1.713 1
1 596 . 18 1 1 A 58 58 GLN H H 54 8.070 8.343 -0.273 1
1 597 . 18 1 1 A 58 58 GLN HA H 54 4.853 4.835 0.018 1
1 604 . 18 1 1 A 58 58 GLN C C 54 175.291 173.294 1.997 1
1 605 . 18 1 1 A 58 58 GLN CA C 54 55.071 55.258 -0.187 1
1 606 . 18 1 1 A 58 58 GLN CB C 54 32.237 31.070 1.167 1
1 607 . 18 1 1 A 58 58 GLN N N 54 113.697 116.289 -2.592 1
1 609 . 18 1 1 A 59 59 ILE H H 55 8.753 8.830 -0.077 1
1 610 . 18 1 1 A 59 59 ILE HA H 55 5.089 4.793 0.296 1
1 620 . 18 1 1 A 59 59 ILE C C 55 174.164 175.478 -1.314 1
1 621 . 18 1 1 A 59 59 ILE CA C 55 61.194 60.432 0.762 1
1 622 . 18 1 1 A 59 59 ILE CB C 55 40.657 39.221 1.436 1
1 625 . 18 1 1 A 59 59 ILE N N 55 122.202 121.592 0.610 1
1 626 . 18 1 1 A 60 60 PHE H H 56 9.564 9.377 0.187 1
1 627 . 18 1 1 A 60 60 PHE HA H 56 5.390 5.198 0.192 1
1 635 . 18 1 1 A 60 60 PHE C C 56 174.305 175.642 -1.337 1
1 636 . 18 1 1 A 60 60 PHE CA C 56 56.614 57.416 -0.802 1
1 637 . 18 1 1 A 60 60 PHE CB C 56 42.488 41.349 1.139 1
1 638 . 18 1 1 A 60 60 PHE N N 56 127.604 126.741 0.863 1
1 639 . 18 1 1 A 61 61 ILE H H 57 9.231 8.462 0.769 1
1 640 . 18 1 1 A 61 61 ILE HA H 57 4.483 4.804 -0.321 1
1 650 . 18 1 1 A 61 61 ILE C C 57 176.418 175.481 0.937 1
1 651 . 18 1 1 A 61 61 ILE CA C 57 60.800 59.364 1.436 1
1 652 . 18 1 1 A 61 61 ILE CB C 57 39.431 41.080 -1.649 1
1 656 . 18 1 1 A 61 61 ILE N N 57 121.606 117.219 4.387 1
1 657 . 18 1 1 A 62 62 GLY H H 58 9.118 9.762 -0.644 1
1 658 . 18 1 1 A 62 62 GLY HA2 H 58 4.092 3.922 0.170 1
1 659 . 18 1 1 A 62 62 GLY HA3 H 58 3.951 3.942 0.009 1
1 660 . 18 1 1 A 62 62 GLY C C 58 174.058 174.239 -0.181 1
1 661 . 18 1 1 A 62 62 GLY CA C 58 47.516 46.932 0.584 1
1 662 . 18 1 1 A 62 62 GLY N N 58 118.483 114.402 4.081 1
1 663 . 18 1 1 A 63 63 ASP H H 59 8.944 8.871 0.073 1
1 664 . 18 1 1 A 63 63 ASP HA H 59 4.762 4.705 0.057 1
1 667 . 18 1 1 A 63 63 ASP C C 59 175.220 175.148 0.072 1
1 668 . 18 1 1 A 63 63 ASP CA C 59 54.467 55.795 -1.328 1
1 669 . 18 1 1 A 63 63 ASP CB C 59 40.913 40.233 0.680 1
1 670 . 18 1 1 A 63 63 ASP N N 59 125.981 118.295 7.686 1
1 671 . 18 1 1 A 64 64 TYR H H 60 8.332 7.800 0.532 1
1 672 . 18 1 1 A 64 64 TYR HA H 60 4.600 4.702 -0.102 1
1 679 . 18 1 1 A 64 64 TYR C C 60 174.023 173.744 0.279 1
1 680 . 18 1 1 A 64 64 TYR CA C 60 57.761 56.680 1.081 1
1 681 . 18 1 1 A 64 64 TYR CB C 60 33.473 40.760 -7.287 1
1 682 . 18 1 1 A 64 64 TYR N N 60 122.443 118.902 3.541 1
1 683 . 18 1 1 A 65 65 HIS H H 61 8.625 7.850 0.775 1
1 684 . 18 1 1 A 65 65 HIS HA H 61 4.200 3.830 0.370 1
1 689 . 18 1 1 A 65 65 HIS C C 61 171.910 174.560 -2.650 1
1 690 . 18 1 1 A 65 65 HIS CA C 61 53.347 55.181 -1.834 1
1 691 . 18 1 1 A 65 65 HIS CB C 61 28.830 30.027 -1.197 1
1 692 . 18 1 1 A 65 65 HIS N N 61 129.863 122.421 7.442 1
1 693 . 18 1 1 A 66 66 VAL H H 62 8.059 9.084 -1.025 1
1 694 . 18 1 1 A 66 66 VAL HA H 62 3.316 3.834 -0.518 1
1 702 . 18 1 1 A 66 66 VAL CA C 62 64.194 63.832 0.362 1
1 703 . 18 1 1 A 66 66 VAL CB C 62 32.770 32.517 0.253 1
1 705 . 18 1 1 A 66 66 VAL N N 62 129.219 120.364 8.855 1
1 706 . 18 1 1 A 67 67 GLY H H 63 6.327 7.617 -1.290 1
1 707 . 18 1 1 A 67 67 GLY HA2 H 63 4.503 4.100 0.403 1
1 708 . 18 1 1 A 67 67 GLY HA3 H 63 2.870 4.109 -1.239 1
1 709 . 18 1 1 A 67 67 GLY C C 63 172.156 174.043 -1.887 1
1 710 . 18 1 1 A 67 67 GLY CA C 63 43.551 45.599 -2.048 1
1 711 . 18 1 1 A 67 67 GLY N N 63 102.548 106.527 -3.979 1
1 712 . 18 1 1 A 68 68 GLY H H 64 9.095 8.219 0.876 1
1 713 . 18 1 1 A 68 68 GLY HA2 H 64 4.863 4.128 0.735 1
1 714 . 18 1 1 A 68 68 GLY HA3 H 64 3.821 4.151 -0.330 1
1 715 . 18 1 1 A 68 68 GLY C C 64 172.509 174.747 -2.238 1
1 716 . 18 1 1 A 68 68 GLY CA C 64 43.870 44.656 -0.786 1
1 717 . 18 1 1 A 68 68 GLY N N 64 110.080 106.534 3.546 1
1 718 . 18 1 1 A 69 69 CYS H H 65 8.398 8.891 -0.493 1
1 719 . 18 1 1 A 69 69 CYS HA H 65 3.846 4.169 -0.323 1
1 722 . 18 1 1 A 69 69 CYS C C 65 173.741 176.597 -2.856 1
1 723 . 18 1 1 A 69 69 CYS CA C 65 62.944 62.970 -0.026 1
1 724 . 18 1 1 A 69 69 CYS CB C 65 45.022 27.730 17.292 1
1 725 . 18 1 1 A 69 69 CYS N N 65 118.292 118.821 -0.529 1
1 726 . 18 1 1 A 70 70 ASP H H 66 9.110 8.410 0.700 1
1 727 . 18 1 1 A 70 70 ASP HA H 66 5.745 4.392 1.353 1
1 730 . 18 1 1 A 70 70 ASP C C 66 178.777 178.281 0.496 1
1 731 . 18 1 1 A 70 70 ASP CA C 66 57.437 57.358 0.079 1
1 732 . 18 1 1 A 70 70 ASP CB C 66 40.016 41.663 -1.647 1
1 733 . 18 1 1 A 70 70 ASP N N 66 123.178 121.562 1.616 1
1 734 . 18 1 1 A 71 71 ASP H H 67 7.301 8.038 -0.737 1
1 735 . 18 1 1 A 71 71 ASP HA H 67 4.362 4.275 0.087 1
1 738 . 18 1 1 A 71 71 ASP C C 67 177.474 178.782 -1.308 1
1 739 . 18 1 1 A 71 71 ASP CA C 67 57.381 57.452 -0.071 1
1 740 . 18 1 1 A 71 71 ASP CB C 67 41.503 40.586 0.917 1
1 741 . 18 1 1 A 71 71 ASP N N 67 119.848 119.130 0.718 1
1 742 . 18 1 1 A 72 72 LEU H H 68 7.805 7.743 0.062 1
1 743 . 18 1 1 A 72 72 LEU HA H 68 3.822 4.056 -0.234 1
1 753 . 18 1 1 A 72 72 LEU C C 68 177.509 178.524 -1.015 1
1 754 . 18 1 1 A 72 72 LEU CA C 68 58.446 57.934 0.512 1
1 755 . 18 1 1 A 72 72 LEU CB C 68 42.524 41.731 0.793 1
1 757 . 18 1 1 A 72 72 LEU N N 68 121.720 117.946 3.774 1
1 758 . 18 1 1 A 73 73 TYR H H 69 8.229 8.383 -0.154 1
1 759 . 18 1 1 A 73 73 TYR HA H 69 3.772 4.245 -0.473 1
1 766 . 18 1 1 A 73 73 TYR C C 69 177.721 178.255 -0.534 1
1 767 . 18 1 1 A 73 73 TYR CA C 69 62.867 60.335 2.532 1
1 768 . 18 1 1 A 73 73 TYR CB C 69 38.215 37.900 0.315 1
1 769 . 18 1 1 A 73 73 TYR N N 69 116.501 120.228 -3.727 1
1 770 . 18 1 1 A 74 74 ALA H H 70 8.275 8.657 -0.382 1
1 771 . 18 1 1 A 74 74 ALA HA H 70 4.286 4.065 0.221 1
1 775 . 18 1 1 A 74 74 ALA C C 70 180.045 180.045 0.000 1
1 776 . 18 1 1 A 74 74 ALA CA C 70 55.701 55.290 0.411 1
1 777 . 18 1 1 A 74 74 ALA CB C 70 17.944 18.066 -0.122 1
1 778 . 18 1 1 A 74 74 ALA N N 70 122.883 121.762 1.121 1
1 779 . 18 1 1 A 75 75 LEU H H 71 7.558 8.456 -0.898 1
1 780 . 18 1 1 A 75 75 LEU HA H 71 3.975 3.863 0.112 1
1 790 . 18 1 1 A 75 75 LEU C C 71 179.024 178.804 0.220 1
1 791 . 18 1 1 A 75 75 LEU CA C 71 57.994 58.226 -0.232 1
1 792 . 18 1 1 A 75 75 LEU CB C 71 42.836 41.630 1.206 1
1 793 . 18 1 1 A 75 75 LEU N N 71 117.133 119.199 -2.066 1
1 794 . 18 1 1 A 76 76 GLU H H 72 7.587 8.615 -1.028 1
1 795 . 18 1 1 A 76 76 GLU HA H 72 4.473 3.991 0.482 1
1 800 . 18 1 1 A 76 76 GLU C C 72 179.270 178.661 0.609 1
1 801 . 18 1 1 A 76 76 GLU CA C 72 58.296 58.569 -0.273 1
1 802 . 18 1 1 A 76 76 GLU CB C 72 28.457 28.606 -0.149 1
1 803 . 18 1 1 A 76 76 GLU N N 72 121.576 117.651 3.925 1
1 804 . 18 1 1 A 77 77 ASN H H 73 8.863 7.756 1.107 1
1 805 . 18 1 1 A 77 77 ASN HA H 73 4.511 4.511 0.000 1
1 810 . 18 1 1 A 77 77 ASN C C 73 176.664 177.073 -0.409 1
1 811 . 18 1 1 A 77 77 ASN CA C 73 55.944 55.392 0.552 1
1 812 . 18 1 1 A 77 77 ASN CB C 73 38.660 38.566 0.094 1
1 814 . 18 1 1 A 77 77 ASN N N 73 120.232 118.831 1.401 1
1 816 . 18 1 1 A 78 78 LYS H H 74 7.617 7.616 0.001 1
1 817 . 18 1 1 A 78 78 LYS HA H 74 4.426 4.303 0.123 1
1 826 . 18 1 1 A 78 78 LYS C C 74 176.312 176.469 -0.157 1
1 827 . 18 1 1 A 78 78 LYS CA C 74 55.863 56.267 -0.404 1
1 828 . 18 1 1 A 78 78 LYS CB C 74 33.482 33.007 0.475 1
1 829 . 18 1 1 A 78 78 LYS N N 74 115.597 116.620 -1.023 1
1 830 . 18 1 1 A 79 79 GLY H H 75 8.023 7.595 0.428 1
1 831 . 18 1 1 A 79 79 GLY HA2 H 75 4.060 4.002 0.058 1
1 832 . 18 1 1 A 79 79 GLY HA3 H 75 4.060 4.007 0.053 1
1 833 . 18 1 1 A 79 79 GLY C C 75 175.009 175.684 -0.675 1
1 834 . 18 1 1 A 79 79 GLY CA C 75 46.234 45.066 1.168 1
1 835 . 18 1 1 A 79 79 GLY N N 75 109.073 105.650 3.423 1
1 836 . 18 1 1 A 80 80 LYS H H 76 8.091 8.239 -0.148 1
1 837 . 18 1 1 A 80 80 LYS HA H 76 4.422 4.366 0.056 1
1 846 . 18 1 1 A 80 80 LYS C C 76 173.037 177.056 -4.019 1
1 847 . 18 1 1 A 80 80 LYS CA C 76 55.679 56.489 -0.810 1
1 848 . 18 1 1 A 80 80 LYS CB C 76 35.038 32.508 2.530 1
1 849 . 18 1 1 A 80 80 LYS N N 76 116.888 120.003 -3.115 1
1 850 . 18 1 1 A 81 81 LEU H H 77 7.411 7.658 -0.247 1
1 851 . 18 1 1 A 81 81 LEU HA H 77 4.003 3.897 0.106 1
1 861 . 18 1 1 A 81 81 LEU C C 77 177.333 177.917 -0.584 1
1 862 . 18 1 1 A 81 81 LEU CA C 77 57.512 57.922 -0.410 1
1 863 . 18 1 1 A 81 81 LEU CB C 77 40.676 41.188 -0.512 1
1 864 . 18 1 1 A 81 81 LEU N N 77 122.079 122.061 0.018 1
1 865 . 18 1 1 A 82 82 ASP H H 78 8.613 8.408 0.205 1
1 866 . 18 1 1 A 82 82 ASP HA H 78 4.232 4.222 0.010 1
1 869 . 18 1 1 A 82 82 ASP C C 78 178.354 178.471 -0.117 1
1 870 . 18 1 1 A 82 82 ASP CA C 78 58.438 57.789 0.649 1
1 871 . 18 1 1 A 82 82 ASP CB C 78 39.890 40.560 -0.670 1
1 872 . 18 1 1 A 82 82 ASP N N 78 118.813 119.054 -0.241 1
1 873 . 18 1 1 A 83 83 SER H H 79 7.886 7.756 0.130 1
1 874 . 18 1 1 A 83 83 SER HA H 79 4.164 4.122 0.042 1
1 877 . 18 1 1 A 83 83 SER C C 79 176.171 177.444 -1.273 1
1 878 . 18 1 1 A 83 83 SER CA C 79 61.285 61.360 -0.075 1
1 879 . 18 1 1 A 83 83 SER CB C 79 62.632 62.923 -0.291 1
1 880 . 18 1 1 A 83 83 SER N N 79 113.338 113.795 -0.457 1
1 881 . 18 1 1 A 84 84 LEU H H 80 7.354 8.056 -0.702 1
1 882 . 18 1 1 A 84 84 LEU HA H 80 4.152 3.901 0.251 1
1 892 . 18 1 1 A 84 84 LEU C C 80 173.671 178.536 -4.865 1
1 893 . 18 1 1 A 84 84 LEU CA C 80 56.841 58.180 -1.339 1
1 894 . 18 1 1 A 84 84 LEU CB C 80 42.682 42.155 0.527 1
1 897 . 18 1 1 A 84 84 LEU N N 80 121.453 121.755 -0.302 1
1 898 . 18 1 1 A 85 85 LEU H H 81 7.655 8.579 -0.924 1
1 899 . 18 1 1 A 85 85 LEU HA H 81 4.113 3.748 0.365 1
1 909 . 18 1 1 A 85 85 LEU C C 81 177.333 178.482 -1.149 1
1 910 . 18 1 1 A 85 85 LEU CA C 81 55.748 57.802 -2.054 1
1 911 . 18 1 1 A 85 85 LEU CB C 81 41.707 40.910 0.797 1
1 914 . 18 1 1 A 85 85 LEU N N 81 115.497 118.141 -2.644 1
1 915 . 18 1 1 A 86 86 GLN H H 82 7.414 8.060 -0.646 1
1 916 . 18 1 1 A 86 86 GLN HA H 82 4.177 3.945 0.232 1
1 923 . 18 1 1 A 86 86 GLN C C 82 175.537 177.370 -1.833 1
1 924 . 18 1 1 A 86 86 GLN CA C 82 56.986 58.417 -1.431 1
1 925 . 18 1 1 A 86 86 GLN CB C 82 29.187 28.254 0.933 1
1 928 . 18 1 1 A 86 86 GLN N N 82 117.020 118.115 -1.095 1
1 930 . 18 1 1 A 87 87 ASP H H 83 8.092 7.958 0.134 1
1 931 . 18 1 1 A 87 87 ASP HA H 83 4.672 4.572 0.100 1
1 934 . 18 1 1 A 87 87 ASP C C 83 177.263 178.473 -1.210 1
1 935 . 18 1 1 A 87 87 ASP CA C 83 54.394 56.616 -2.222 1
1 936 . 18 1 1 A 87 87 ASP CB C 83 40.722 41.143 -0.421 1
1 937 . 18 1 1 A 87 87 ASP N N 83 119.072 118.132 0.940 1
1 938 . 18 1 1 A 88 88 VAL H H 84 7.692 8.048 -0.356 1
1 939 . 18 1 1 A 88 88 VAL HA H 84 4.175 3.854 0.321 1
1 947 . 18 1 1 A 88 88 VAL C C 84 174.164 178.111 -3.947 1
1 948 . 18 1 1 A 88 88 VAL CA C 84 62.165 65.662 -3.497 1
1 949 . 18 1 1 A 88 88 VAL CB C 84 32.284 31.500 0.784 1
1 952 . 18 1 1 A 88 88 VAL N N 84 118.778 115.683 3.095 1
1 1 . 19 1 1 A 2 2 PRO C C -2 177.005 176.358 0.647 1
1 2 . 19 1 1 A 2 2 PRO CA C -2 63.481 62.353 1.128 1
1 3 . 19 1 1 A 2 2 PRO CB C -2 32.244 33.169 -0.925 1
1 4 . 19 1 1 A 3 3 GLY H H -1 8.665 8.528 0.137 1
1 5 . 19 1 1 A 3 3 GLY HA2 H -1 3.985 3.886 0.099 1
1 6 . 19 1 1 A 3 3 GLY HA3 H -1 3.985 3.951 0.034 1
1 7 . 19 1 1 A 3 3 GLY C C -1 173.706 173.153 0.553 1
1 8 . 19 1 1 A 3 3 GLY CA C -1 45.291 46.075 -0.784 1
1 9 . 19 1 1 A 3 3 GLY N N -1 109.788 109.330 0.458 1
1 10 . 19 1 1 A 4 4 SER H H 0 8.190 8.149 0.041 1
1 11 . 19 1 1 A 4 4 SER HA H 0 4.477 5.025 -0.548 1
1 14 . 19 1 1 A 4 4 SER C C 0 175.738 173.705 2.033 1
1 15 . 19 1 1 A 4 4 SER CA C 0 58.322 56.905 1.417 1
1 16 . 19 1 1 A 4 4 SER CB C 0 63.927 65.850 -1.923 1
1 17 . 19 1 1 A 4 4 SER N N 0 115.613 117.763 -2.150 1
1 18 . 19 1 1 A 5 5 MET H H 1 8.458 8.845 -0.387 1
1 19 . 19 1 1 A 5 5 MET HA H 1 4.320 4.804 -0.484 1
1 27 . 19 1 1 A 5 5 MET C C 1 173.977 176.025 -2.048 1
1 28 . 19 1 1 A 5 5 MET CA C 1 56.011 55.647 0.364 1
1 29 . 19 1 1 A 5 5 MET CB C 1 33.797 34.942 -1.145 1
1 30 . 19 1 1 A 5 5 MET N N 1 122.334 122.347 -0.013 1
1 31 . 19 1 1 A 6 6 LYS H H 2 8.445 7.607 0.838 1
1 32 . 19 1 1 A 6 6 LYS HA H 2 4.566 4.893 -0.327 1
1 39 . 19 1 1 A 6 6 LYS C C 2 174.575 174.744 -0.169 1
1 40 . 19 1 1 A 6 6 LYS CA C 2 55.887 54.701 1.186 1
1 41 . 19 1 1 A 6 6 LYS CB C 2 33.848 37.296 -3.448 1
1 42 . 19 1 1 A 6 6 LYS N N 2 122.229 117.220 5.009 1
1 43 . 19 1 1 A 7 7 GLU H H 3 8.324 8.934 -0.610 1
1 44 . 19 1 1 A 7 7 GLU HA H 3 4.440 5.133 -0.693 1
1 49 . 19 1 1 A 7 7 GLU C C 3 175.491 173.967 1.524 1
1 50 . 19 1 1 A 7 7 GLU CA C 3 55.680 54.612 1.068 1
1 51 . 19 1 1 A 7 7 GLU CB C 3 31.513 33.505 -1.992 1
1 52 . 19 1 1 A 7 7 GLU N N 3 121.539 117.753 3.786 1
1 53 . 19 1 1 A 8 8 ILE H H 4 9.014 8.991 0.023 1
1 54 . 19 1 1 A 8 8 ILE HA H 4 5.025 5.131 -0.106 1
1 64 . 19 1 1 A 8 8 ILE C C 4 174.199 173.884 0.315 1
1 65 . 19 1 1 A 8 8 ILE CA C 4 60.927 59.614 1.313 1
1 66 . 19 1 1 A 8 8 ILE CB C 4 38.759 41.106 -2.347 1
1 69 . 19 1 1 A 8 8 ILE N N 4 127.255 123.783 3.472 1
1 70 . 19 1 1 A 9 9 ILE H H 5 9.104 9.407 -0.303 1
1 71 . 19 1 1 A 9 9 ILE HA H 5 4.900 4.870 0.030 1
1 81 . 19 1 1 A 9 9 ILE C C 5 173.906 175.143 -1.237 1
1 82 . 19 1 1 A 9 9 ILE CA C 5 59.727 60.617 -0.890 1
1 83 . 19 1 1 A 9 9 ILE CB C 5 41.627 40.733 0.894 1
1 87 . 19 1 1 A 9 9 ILE N N 5 128.326 129.243 -0.917 1
1 88 . 19 1 1 A 10 10 LEU H H 6 8.891 8.790 0.101 1
1 89 . 19 1 1 A 10 10 LEU HA H 6 5.157 4.984 0.173 1
1 96 . 19 1 1 A 10 10 LEU CA C 6 54.076 53.650 0.426 1
1 97 . 19 1 1 A 10 10 LEU CB C 6 44.892 42.831 2.061 1
1 100 . 19 1 1 A 10 10 LEU N N 6 125.779 126.303 -0.524 1
1 101 . 19 1 1 A 11 11 TYR H H 7 9.099 9.005 0.094 1
1 102 . 19 1 1 A 11 11 TYR HA H 7 4.336 5.286 -0.950 1
1 109 . 19 1 1 A 11 11 TYR C C 7 177.041 175.306 1.735 1
1 110 . 19 1 1 A 11 11 TYR CA C 7 57.379 56.533 0.846 1
1 111 . 19 1 1 A 11 11 TYR CB C 7 40.345 39.912 0.433 1
1 112 . 19 1 1 A 12 12 THR H H 8 9.286 8.537 0.749 1
1 113 . 19 1 1 A 12 12 THR HA H 8 5.105 5.033 0.072 1
1 118 . 19 1 1 A 12 12 THR C C 8 172.005 173.134 -1.129 1
1 119 . 19 1 1 A 12 12 THR CA C 8 60.604 60.922 -0.318 1
1 120 . 19 1 1 A 12 12 THR CB C 8 73.108 70.783 2.325 1
1 122 . 19 1 1 A 12 12 THR N N 8 111.938 115.061 -3.123 1
1 123 . 19 1 1 A 13 13 ARG H H 9 7.513 8.366 -0.853 1
1 124 . 19 1 1 A 13 13 ARG HA H 9 4.826 4.819 0.007 1
1 131 . 19 1 1 A 13 13 ARG CA C 9 52.836 54.220 -1.384 1
1 132 . 19 1 1 A 13 13 ARG CB C 9 31.436 30.879 0.557 1
1 133 . 19 1 1 A 13 13 ARG N N 9 114.036 121.018 -6.982 1
1 134 . 19 1 1 A 14 14 PRO HA H 10 4.294 4.404 -0.110 1
1 141 . 19 1 1 A 14 14 PRO C C 10 176.477 176.574 -0.097 1
1 142 . 19 1 1 A 14 14 PRO CA C 10 63.464 62.951 0.513 1
1 143 . 19 1 1 A 14 14 PRO CB C 10 32.615 32.648 -0.033 1
1 144 . 19 1 1 A 15 15 ASN H H 11 8.987 8.904 0.083 1
1 145 . 19 1 1 A 15 15 ASN HA H 11 4.240 4.261 -0.021 1
1 150 . 19 1 1 A 15 15 ASN C C 11 176.266 174.015 2.251 1
1 151 . 19 1 1 A 15 15 ASN CA C 11 54.464 54.745 -0.281 1
1 152 . 19 1 1 A 15 15 ASN CB C 11 37.500 37.098 0.402 1
1 154 . 19 1 1 A 15 15 ASN N N 11 115.463 113.834 1.629 1
1 156 . 19 1 1 A 16 16 CYS H H 12 7.324 7.903 -0.579 1
1 157 . 19 1 1 A 16 16 CYS HA H 12 4.931 4.617 0.314 1
1 160 . 19 1 1 A 16 16 CYS CA C 12 56.277 57.333 -1.056 1
1 161 . 19 1 1 A 16 16 CYS N N 12 123.174 116.867 6.307 1
1 162 . 19 1 1 A 17 17 PRO C C 13 178.555 177.178 1.377 1
1 163 . 19 1 1 A 17 17 PRO CA C 13 64.409 64.129 0.280 1
1 164 . 19 1 1 A 17 17 PRO CB C 13 33.538 31.549 1.989 1
1 165 . 19 1 1 A 18 18 TYR H H 14 9.325 7.481 1.844 1
1 166 . 19 1 1 A 18 18 TYR HA H 14 4.404 4.188 0.216 1
1 173 . 19 1 1 A 18 18 TYR CA C 14 60.921 60.654 0.267 1
1 174 . 19 1 1 A 18 18 TYR N N 14 127.149 116.059 11.090 1
1 175 . 19 1 1 A 19 19 CYS H H 15 9.687 8.293 1.394 1
1 176 . 19 1 1 A 19 19 CYS HA H 15 4.725 4.215 0.510 1
1 177 . 19 1 1 A 19 19 CYS C C 15 174.998 177.500 -2.502 1
1 178 . 19 1 1 A 19 19 CYS CA C 15 64.573 62.390 2.183 1
1 179 . 19 1 1 A 19 19 CYS CB C 15 29.227 26.763 2.464 1
1 180 . 19 1 1 A 19 19 CYS N N 15 127.652 118.147 9.505 1
1 181 . 19 1 1 A 20 20 LYS H H 16 7.706 8.134 -0.428 1
1 182 . 19 1 1 A 20 20 LYS HA H 16 3.946 3.931 0.015 1
1 191 . 19 1 1 A 20 20 LYS C C 16 177.252 179.466 -2.214 1
1 192 . 19 1 1 A 20 20 LYS CA C 16 59.857 59.989 -0.132 1
1 193 . 19 1 1 A 20 20 LYS CB C 16 32.542 32.401 0.141 1
1 194 . 19 1 1 A 20 20 LYS N N 16 119.200 120.656 -1.456 1
1 195 . 19 1 1 A 21 21 ARG H H 17 7.839 7.675 0.164 1
1 196 . 19 1 1 A 21 21 ARG HA H 17 4.176 4.099 0.077 1
1 203 . 19 1 1 A 21 21 ARG C C 17 179.858 179.032 0.826 1
1 204 . 19 1 1 A 21 21 ARG CA C 17 59.647 59.167 0.480 1
1 205 . 19 1 1 A 21 21 ARG CB C 17 30.340 30.040 0.300 1
1 206 . 19 1 1 A 21 21 ARG N N 17 117.964 119.780 -1.816 1
1 207 . 19 1 1 A 22 22 ALA H H 18 8.084 8.176 -0.092 1
1 208 . 19 1 1 A 22 22 ALA HA H 18 4.168 4.151 0.017 1
1 212 . 19 1 1 A 22 22 ALA C C 18 177.322 179.532 -2.210 1
1 213 . 19 1 1 A 22 22 ALA CA C 18 55.859 55.364 0.495 1
1 214 . 19 1 1 A 22 22 ALA CB C 18 19.047 18.126 0.921 1
1 215 . 19 1 1 A 22 22 ALA N N 18 124.839 121.648 3.191 1
1 216 . 19 1 1 A 23 23 ARG H H 19 7.811 8.385 -0.574 1
1 217 . 19 1 1 A 23 23 ARG HA H 19 3.320 3.577 -0.257 1
1 224 . 19 1 1 A 23 23 ARG C C 19 177.217 178.062 -0.845 1
1 225 . 19 1 1 A 23 23 ARG CA C 19 60.780 58.774 2.006 1
1 226 . 19 1 1 A 23 23 ARG CB C 19 30.828 29.808 1.020 1
1 227 . 19 1 1 A 23 23 ARG N N 19 116.980 117.256 -0.276 1
1 228 . 19 1 1 A 24 24 ASP H H 20 8.710 8.102 0.608 1
1 229 . 19 1 1 A 24 24 ASP HA H 20 4.299 4.416 -0.117 1
1 232 . 19 1 1 A 24 24 ASP C C 20 178.625 178.284 0.341 1
1 233 . 19 1 1 A 24 24 ASP CA C 20 57.477 57.731 -0.254 1
1 234 . 19 1 1 A 24 24 ASP CB C 20 40.551 41.521 -0.970 1
1 235 . 19 1 1 A 24 24 ASP N N 20 116.717 120.014 -3.297 1
1 236 . 19 1 1 A 25 25 LEU H H 21 7.114 8.018 -0.904 1
1 237 . 19 1 1 A 25 25 LEU HA H 21 4.131 4.093 0.038 1
1 246 . 19 1 1 A 25 25 LEU C C 21 177.580 178.570 -0.990 1
1 247 . 19 1 1 A 25 25 LEU CA C 21 57.857 58.368 -0.511 1
1 248 . 19 1 1 A 25 25 LEU CB C 21 41.654 41.449 0.205 1
1 251 . 19 1 1 A 25 25 LEU N N 21 119.808 120.607 -0.799 1
1 252 . 19 1 1 A 26 26 LEU H H 22 7.294 8.239 -0.945 1
1 253 . 19 1 1 A 26 26 LEU HA H 22 3.767 3.843 -0.076 1
1 262 . 19 1 1 A 26 26 LEU C C 22 178.696 178.749 -0.053 1
1 263 . 19 1 1 A 26 26 LEU CA C 22 58.107 58.245 -0.138 1
1 264 . 19 1 1 A 26 26 LEU CB C 22 40.750 41.899 -1.149 1
1 267 . 19 1 1 A 26 26 LEU N N 22 117.901 118.896 -0.995 1
1 268 . 19 1 1 A 27 27 ASP H H 23 9.446 8.479 0.967 1
1 269 . 19 1 1 A 27 27 ASP HA H 23 4.608 4.432 0.176 1
1 272 . 19 1 1 A 27 27 ASP C C 23 180.104 178.436 1.668 1
1 273 . 19 1 1 A 27 27 ASP CA C 23 57.406 57.821 -0.415 1
1 274 . 19 1 1 A 27 27 ASP CB C 23 39.839 42.407 -2.568 1
1 275 . 19 1 1 A 27 27 ASP N N 23 119.946 118.661 1.285 1
1 276 . 19 1 1 A 28 28 LYS H H 24 7.915 7.997 -0.082 1
1 277 . 19 1 1 A 28 28 LYS HA H 24 4.079 4.070 0.009 1
1 286 . 19 1 1 A 28 28 LYS C C 24 178.414 179.589 -1.175 1
1 287 . 19 1 1 A 28 28 LYS CA C 24 59.295 59.599 -0.304 1
1 288 . 19 1 1 A 28 28 LYS CB C 24 32.342 32.192 0.150 1
1 289 . 19 1 1 A 28 28 LYS N N 24 122.484 119.064 3.420 1
1 290 . 19 1 1 A 29 29 LYS H H 25 7.763 7.688 0.075 1
1 291 . 19 1 1 A 29 29 LYS HA H 25 4.195 4.210 -0.015 1
1 300 . 19 1 1 A 29 29 LYS C C 25 176.583 177.099 -0.516 1
1 301 . 19 1 1 A 29 29 LYS CA C 25 56.122 56.749 -0.627 1
1 302 . 19 1 1 A 29 29 LYS CB C 25 32.771 32.779 -0.008 1
1 303 . 19 1 1 A 29 29 LYS N N 25 116.683 116.718 -0.035 1
1 304 . 19 1 1 A 30 30 GLY H H 26 7.961 8.113 -0.152 1
1 305 . 19 1 1 A 30 30 GLY HA2 H 26 4.005 3.997 0.008 1
1 306 . 19 1 1 A 30 30 GLY HA3 H 26 3.894 3.998 -0.104 1
1 307 . 19 1 1 A 30 30 GLY C C 26 174.223 173.972 0.251 1
1 308 . 19 1 1 A 30 30 GLY CA C 26 46.265 46.305 -0.040 1
1 309 . 19 1 1 A 30 30 GLY N N 26 108.209 107.233 0.976 1
1 310 . 19 1 1 A 31 31 VAL H H 27 7.440 7.326 0.114 1
1 311 . 19 1 1 A 31 31 VAL HA H 27 4.355 4.863 -0.508 1
1 319 . 19 1 1 A 31 31 VAL C C 27 174.294 174.429 -0.135 1
1 320 . 19 1 1 A 31 31 VAL CA C 27 60.115 59.333 0.782 1
1 321 . 19 1 1 A 31 31 VAL CB C 27 33.737 35.897 -2.160 1
1 323 . 19 1 1 A 31 31 VAL N N 27 114.927 114.644 0.283 1
1 324 . 19 1 1 A 32 32 LYS H H 28 8.408 8.601 -0.193 1
1 325 . 19 1 1 A 32 32 LYS HA H 28 4.268 4.802 -0.534 1
1 334 . 19 1 1 A 32 32 LYS C C 28 175.385 175.695 -0.310 1
1 335 . 19 1 1 A 32 32 LYS CA C 28 55.441 54.881 0.560 1
1 336 . 19 1 1 A 32 32 LYS CB C 28 33.269 33.085 0.184 1
1 337 . 19 1 1 A 32 32 LYS N N 28 124.540 120.858 3.682 1
1 338 . 19 1 1 A 33 33 TYR H H 29 7.451 8.675 -1.224 1
1 339 . 19 1 1 A 33 33 TYR HA H 29 5.149 5.346 -0.197 1
1 346 . 19 1 1 A 33 33 TYR C C 29 173.730 174.956 -1.226 1
1 347 . 19 1 1 A 33 33 TYR CA C 29 57.198 55.997 1.201 1
1 348 . 19 1 1 A 33 33 TYR CB C 29 41.499 40.516 0.983 1
1 353 . 19 1 1 A 33 33 TYR N N 29 117.090 124.098 -7.008 1
1 354 . 19 1 1 A 34 34 THR H H 30 9.106 9.052 0.054 1
1 355 . 19 1 1 A 34 34 THR HA H 30 4.368 4.933 -0.565 1
1 360 . 19 1 1 A 34 34 THR C C 30 171.336 173.350 -2.014 1
1 361 . 19 1 1 A 34 34 THR CA C 30 62.096 61.501 0.595 1
1 362 . 19 1 1 A 34 34 THR CB C 30 70.603 69.788 0.815 1
1 364 . 19 1 1 A 34 34 THR N N 30 119.343 116.937 2.406 1
1 365 . 19 1 1 A 35 35 ASP H H 31 8.772 9.038 -0.266 1
1 366 . 19 1 1 A 35 35 ASP HA H 31 5.283 5.268 0.015 1
1 369 . 19 1 1 A 35 35 ASP C C 31 175.245 174.914 0.331 1
1 370 . 19 1 1 A 35 35 ASP CA C 31 52.549 52.829 -0.280 1
1 371 . 19 1 1 A 35 35 ASP CB C 31 42.286 42.039 0.247 1
1 372 . 19 1 1 A 35 35 ASP N N 31 129.184 126.265 2.919 1
1 373 . 19 1 1 A 36 36 ILE H H 32 9.283 9.101 0.182 1
1 374 . 19 1 1 A 36 36 ILE HA H 32 4.081 4.516 -0.435 1
1 384 . 19 1 1 A 36 36 ILE C C 32 175.854 175.171 0.683 1
1 385 . 19 1 1 A 36 36 ILE CA C 32 60.226 60.213 0.013 1
1 386 . 19 1 1 A 36 36 ILE CB C 32 39.998 38.844 1.154 1
1 388 . 19 1 1 A 36 36 ILE N N 32 129.240 125.711 3.529 1
1 389 . 19 1 1 A 37 37 ASP H H 33 8.298 8.782 -0.484 1
1 390 . 19 1 1 A 37 37 ASP HA H 33 4.648 4.615 0.033 1
1 393 . 19 1 1 A 37 37 ASP CA C 33 54.101 54.621 -0.520 1
1 394 . 19 1 1 A 37 37 ASP CB C 33 40.536 41.257 -0.721 1
1 395 . 19 1 1 A 37 37 ASP N N 33 125.570 127.885 -2.315 1
1 396 . 19 1 1 A 38 38 ALA H H 34 9.840 8.716 1.124 1
1 397 . 19 1 1 A 38 38 ALA HA H 34 4.620 4.061 0.559 1
1 401 . 19 1 1 A 38 38 ALA C C 34 175.185 178.803 -3.618 1
1 402 . 19 1 1 A 38 38 ALA CA C 34 51.239 55.022 -3.783 1
1 403 . 19 1 1 A 38 38 ALA CB C 34 20.627 18.343 2.284 1
1 404 . 19 1 1 A 38 38 ALA N N 34 134.980 124.853 10.127 1
1 405 . 19 1 1 A 39 39 SER H H 35 8.679 7.598 1.081 1
1 406 . 19 1 1 A 39 39 SER HA H 35 4.189 4.258 -0.069 1
1 409 . 19 1 1 A 39 39 SER C C 35 175.713 176.489 -0.776 1
1 410 . 19 1 1 A 39 39 SER CA C 35 60.956 60.465 0.491 1
1 411 . 19 1 1 A 39 39 SER CB C 35 64.425 63.442 0.983 1
1 412 . 19 1 1 A 39 39 SER N N 35 111.865 115.241 -3.376 1
1 413 . 19 1 1 A 40 40 THR H H 36 8.438 8.714 -0.276 1
1 414 . 19 1 1 A 40 40 THR HA H 36 4.672 3.906 0.766 1
1 419 . 19 1 1 A 40 40 THR CA C 36 59.859 65.367 -5.508 1
1 421 . 19 1 1 A 40 40 THR N N 36 114.335 120.297 -5.962 1
1 422 . 19 1 1 A 41 41 SER C C 37 174.129 176.163 -2.034 1
1 423 . 19 1 1 A 41 41 SER CA C 37 60.964 61.094 -0.130 1
1 424 . 19 1 1 A 41 41 SER CB C 37 63.605 63.340 0.265 1
1 425 . 19 1 1 A 42 42 LEU H H 38 8.643 7.861 0.782 1
1 426 . 19 1 1 A 42 42 LEU HA H 38 4.679 4.691 -0.012 1
1 436 . 19 1 1 A 42 42 LEU C C 38 176.347 178.103 -1.756 1
1 437 . 19 1 1 A 42 42 LEU CA C 38 54.842 55.466 -0.624 1
1 438 . 19 1 1 A 42 42 LEU CB C 38 41.117 44.800 -3.683 1
1 439 . 19 1 1 A 42 42 LEU N N 38 121.245 121.507 -0.262 1
1 440 . 19 1 1 A 43 43 ARG H H 39 7.583 8.523 -0.940 1
1 441 . 19 1 1 A 43 43 ARG HA H 39 4.173 4.045 0.128 1
1 448 . 19 1 1 A 43 43 ARG C C 39 175.925 177.989 -2.064 1
1 449 . 19 1 1 A 43 43 ARG CA C 39 60.907 59.791 1.116 1
1 450 . 19 1 1 A 43 43 ARG N N 39 123.341 119.663 3.678 1
1 451 . 19 1 1 A 44 44 GLN H H 40 8.203 7.989 0.214 1
1 452 . 19 1 1 A 44 44 GLN HA H 40 3.974 3.934 0.040 1
1 459 . 19 1 1 A 44 44 GLN C C 40 175.608 178.409 -2.801 1
1 460 . 19 1 1 A 44 44 GLN CA C 40 58.622 59.135 -0.513 1
1 461 . 19 1 1 A 44 44 GLN CB C 40 28.591 28.475 0.116 1
1 464 . 19 1 1 A 44 44 GLN N N 40 114.940 118.182 -3.242 1
1 466 . 19 1 1 A 45 45 GLU H H 41 7.616 7.708 -0.092 1
1 467 . 19 1 1 A 45 45 GLU HA H 41 3.947 4.033 -0.086 1
1 472 . 19 1 1 A 45 45 GLU CA C 41 59.009 59.524 -0.515 1
1 473 . 19 1 1 A 45 45 GLU CB C 41 30.110 29.796 0.314 1
1 474 . 19 1 1 A 45 45 GLU N N 41 120.916 119.644 1.272 1
1 475 . 19 1 1 A 46 46 MET H H 42 7.474 8.338 -0.864 1
1 476 . 19 1 1 A 46 46 MET HA H 42 4.778 4.221 0.557 1
1 483 . 19 1 1 A 46 46 MET C C 42 176.347 178.231 -1.884 1
1 484 . 19 1 1 A 46 46 MET CA C 42 59.567 58.450 1.117 1
1 485 . 19 1 1 A 46 46 MET CB C 42 30.294 32.522 -2.228 1
1 487 . 19 1 1 A 46 46 MET N N 42 118.736 119.489 -0.753 1
1 488 . 19 1 1 A 47 47 VAL H H 43 8.006 8.225 -0.219 1
1 489 . 19 1 1 A 47 47 VAL HA H 43 3.624 3.296 0.328 1
1 497 . 19 1 1 A 47 47 VAL C C 43 176.911 177.043 -0.132 1
1 498 . 19 1 1 A 47 47 VAL CA C 43 65.362 64.844 0.518 1
1 499 . 19 1 1 A 47 47 VAL CB C 43 31.859 30.524 1.335 1
1 501 . 19 1 1 A 47 47 VAL N N 43 116.804 118.828 -2.024 1
1 502 . 19 1 1 A 48 48 GLN H H 44 7.935 7.784 0.151 1
1 503 . 19 1 1 A 48 48 GLN HA H 44 3.972 4.028 -0.056 1
1 510 . 19 1 1 A 48 48 GLN C C 44 178.636 178.505 0.131 1
1 511 . 19 1 1 A 48 48 GLN CA C 44 58.472 58.840 -0.368 1
1 512 . 19 1 1 A 48 48 GLN CB C 44 30.542 28.431 2.111 1
1 513 . 19 1 1 A 48 48 GLN N N 44 117.704 121.494 -3.790 1
1 515 . 19 1 1 A 49 49 ARG H H 45 8.100 7.993 0.107 1
1 516 . 19 1 1 A 49 49 ARG HA H 45 3.906 4.114 -0.208 1
1 521 . 19 1 1 A 49 49 ARG CA C 45 59.397 58.522 0.875 1
1 522 . 19 1 1 A 49 49 ARG CB C 45 29.993 30.015 -0.022 1
1 523 . 19 1 1 A 49 49 ARG N N 45 120.984 120.184 0.800 1
1 524 . 19 1 1 A 50 50 ALA H H 46 8.279 7.553 0.726 1
1 525 . 19 1 1 A 50 50 ALA HA H 46 3.782 4.467 -0.685 1
1 529 . 19 1 1 A 50 50 ALA C C 46 178.073 178.936 -0.863 1
1 530 . 19 1 1 A 50 50 ALA CA C 46 51.408 53.748 -2.340 1
1 531 . 19 1 1 A 50 50 ALA CB C 46 18.883 19.425 -0.542 1
1 532 . 19 1 1 A 50 50 ALA N N 46 118.254 121.512 -3.258 1
1 533 . 19 1 1 A 51 51 ASN H H 47 7.706 8.549 -0.843 1
1 534 . 19 1 1 A 51 51 ASN HA H 47 4.420 5.166 -0.746 1
1 539 . 19 1 1 A 51 51 ASN C C 47 174.974 175.566 -0.592 1
1 540 . 19 1 1 A 51 51 ASN CA C 47 54.303 54.232 0.071 1
1 541 . 19 1 1 A 51 51 ASN CB C 47 37.804 40.819 -3.015 1
1 543 . 19 1 1 A 51 51 ASN N N 47 115.277 114.293 0.984 1
1 545 . 19 1 1 A 52 52 GLY H H 48 8.702 7.750 0.952 1
1 546 . 19 1 1 A 52 52 GLY HA2 H 48 4.267 4.045 0.222 1
1 547 . 19 1 1 A 52 52 GLY HA3 H 48 3.379 4.055 -0.676 1
1 548 . 19 1 1 A 52 52 GLY CA C 48 45.176 45.424 -0.248 1
1 549 . 19 1 1 A 52 52 GLY N N 48 104.035 107.767 -3.732 1
1 550 . 19 1 1 A 53 53 ARG H H 49 7.116 7.894 -0.778 1
1 551 . 19 1 1 A 53 53 ARG HA H 49 4.144 4.675 -0.531 1
1 558 . 19 1 1 A 53 53 ARG C C 49 176.101 173.677 2.424 1
1 559 . 19 1 1 A 53 53 ARG CA C 49 57.285 55.955 1.330 1
1 560 . 19 1 1 A 53 53 ARG N N 49 121.384 120.628 0.756 1
1 561 . 19 1 1 A 54 54 ASN H H 50 7.958 8.627 -0.669 1
1 562 . 19 1 1 A 54 54 ASN HA H 50 4.589 5.192 -0.603 1
1 567 . 19 1 1 A 54 54 ASN CA C 50 51.568 52.623 -1.055 1
1 568 . 19 1 1 A 54 54 ASN CB C 50 38.018 42.979 -4.961 1
1 570 . 19 1 1 A 54 54 ASN N N 50 116.546 123.732 -7.186 1
1 572 . 19 1 1 A 55 55 THR H H 51 6.818 8.635 -1.817 1
1 573 . 19 1 1 A 55 55 THR HA H 51 4.283 4.552 -0.269 1
1 578 . 19 1 1 A 55 55 THR C C 51 172.509 173.702 -1.193 1
1 579 . 19 1 1 A 55 55 THR CA C 51 59.829 61.234 -1.405 1
1 580 . 19 1 1 A 55 55 THR CB C 51 70.400 70.757 -0.357 1
1 582 . 19 1 1 A 55 55 THR N N 51 108.070 117.067 -8.997 1
1 583 . 19 1 1 A 56 56 PHE H H 52 8.444 7.717 0.727 1
1 584 . 19 1 1 A 56 56 PHE HA H 52 4.730 4.844 -0.114 1
1 592 . 19 1 1 A 56 56 PHE CA C 52 55.529 55.574 -0.045 1
1 593 . 19 1 1 A 56 56 PHE N N 52 116.926 121.309 -4.383 1
1 594 . 19 1 1 A 57 57 PRO CA C 53 62.827 63.074 -0.247 1
1 595 . 19 1 1 A 57 57 PRO CB C 53 35.258 32.285 2.973 1
1 596 . 19 1 1 A 58 58 GLN H H 54 8.070 8.288 -0.218 1
1 597 . 19 1 1 A 58 58 GLN HA H 54 4.853 5.230 -0.377 1
1 604 . 19 1 1 A 58 58 GLN C C 54 175.291 173.080 2.211 1
1 605 . 19 1 1 A 58 58 GLN CA C 54 55.071 55.263 -0.192 1
1 606 . 19 1 1 A 58 58 GLN CB C 54 32.237 30.954 1.283 1
1 607 . 19 1 1 A 58 58 GLN N N 54 113.697 117.065 -3.368 1
1 609 . 19 1 1 A 59 59 ILE H H 55 8.753 8.713 0.040 1
1 610 . 19 1 1 A 59 59 ILE HA H 55 5.089 4.916 0.173 1
1 620 . 19 1 1 A 59 59 ILE C C 55 174.164 174.932 -0.768 1
1 621 . 19 1 1 A 59 59 ILE CA C 55 61.194 60.617 0.577 1
1 622 . 19 1 1 A 59 59 ILE CB C 55 40.657 39.884 0.773 1
1 625 . 19 1 1 A 59 59 ILE N N 55 122.202 121.768 0.434 1
1 626 . 19 1 1 A 60 60 PHE H H 56 9.564 9.430 0.134 1
1 627 . 19 1 1 A 60 60 PHE HA H 56 5.390 5.095 0.295 1
1 635 . 19 1 1 A 60 60 PHE C C 56 174.305 175.660 -1.355 1
1 636 . 19 1 1 A 60 60 PHE CA C 56 56.614 57.786 -1.172 1
1 637 . 19 1 1 A 60 60 PHE CB C 56 42.488 41.325 1.163 1
1 638 . 19 1 1 A 60 60 PHE N N 56 127.604 127.005 0.599 1
1 639 . 19 1 1 A 61 61 ILE H H 57 9.231 8.187 1.044 1
1 640 . 19 1 1 A 61 61 ILE HA H 57 4.483 4.800 -0.317 1
1 650 . 19 1 1 A 61 61 ILE C C 57 176.418 175.348 1.070 1
1 651 . 19 1 1 A 61 61 ILE CA C 57 60.800 59.034 1.766 1
1 652 . 19 1 1 A 61 61 ILE CB C 57 39.431 41.037 -1.606 1
1 656 . 19 1 1 A 61 61 ILE N N 57 121.606 120.255 1.351 1
1 657 . 19 1 1 A 62 62 GLY H H 58 9.118 9.620 -0.502 1
1 658 . 19 1 1 A 62 62 GLY HA2 H 58 4.092 3.873 0.219 1
1 659 . 19 1 1 A 62 62 GLY HA3 H 58 3.951 3.903 0.048 1
1 660 . 19 1 1 A 62 62 GLY C C 58 174.058 173.990 0.068 1
1 661 . 19 1 1 A 62 62 GLY CA C 58 47.516 46.871 0.645 1
1 662 . 19 1 1 A 62 62 GLY N N 58 118.483 114.307 4.176 1
1 663 . 19 1 1 A 63 63 ASP H H 59 8.944 8.675 0.269 1
1 664 . 19 1 1 A 63 63 ASP HA H 59 4.762 4.567 0.195 1
1 667 . 19 1 1 A 63 63 ASP C C 59 175.220 173.951 1.269 1
1 668 . 19 1 1 A 63 63 ASP CA C 59 54.467 55.687 -1.220 1
1 669 . 19 1 1 A 63 63 ASP CB C 59 40.913 39.220 1.693 1
1 670 . 19 1 1 A 63 63 ASP N N 59 125.981 112.188 13.793 1
1 671 . 19 1 1 A 64 64 TYR H H 60 8.332 7.263 1.069 1
1 672 . 19 1 1 A 64 64 TYR HA H 60 4.600 4.534 0.066 1
1 679 . 19 1 1 A 64 64 TYR C C 60 174.023 173.468 0.555 1
1 680 . 19 1 1 A 64 64 TYR CA C 60 57.761 56.681 1.080 1
1 681 . 19 1 1 A 64 64 TYR CB C 60 33.473 41.048 -7.575 1
1 682 . 19 1 1 A 64 64 TYR N N 60 122.443 118.332 4.111 1
1 683 . 19 1 1 A 65 65 HIS H H 61 8.625 8.091 0.534 1
1 684 . 19 1 1 A 65 65 HIS HA H 61 4.200 4.419 -0.219 1
1 689 . 19 1 1 A 65 65 HIS C C 61 171.910 174.404 -2.494 1
1 690 . 19 1 1 A 65 65 HIS CA C 61 53.347 55.224 -1.877 1
1 691 . 19 1 1 A 65 65 HIS CB C 61 28.830 30.595 -1.765 1
1 692 . 19 1 1 A 65 65 HIS N N 61 129.863 122.579 7.284 1
1 693 . 19 1 1 A 66 66 VAL H H 62 8.059 9.158 -1.099 1
1 694 . 19 1 1 A 66 66 VAL HA H 62 3.316 3.830 -0.514 1
1 702 . 19 1 1 A 66 66 VAL CA C 62 64.194 63.804 0.390 1
1 703 . 19 1 1 A 66 66 VAL CB C 62 32.770 32.570 0.200 1
1 705 . 19 1 1 A 66 66 VAL N N 62 129.219 120.505 8.714 1
1 706 . 19 1 1 A 67 67 GLY H H 63 6.327 7.461 -1.134 1
1 707 . 19 1 1 A 67 67 GLY HA2 H 63 4.503 4.246 0.257 1
1 708 . 19 1 1 A 67 67 GLY HA3 H 63 2.870 4.266 -1.396 1
1 709 . 19 1 1 A 67 67 GLY C C 63 172.156 172.814 -0.658 1
1 710 . 19 1 1 A 67 67 GLY CA C 63 43.551 45.285 -1.734 1
1 711 . 19 1 1 A 67 67 GLY N N 63 102.548 106.171 -3.623 1
1 712 . 19 1 1 A 68 68 GLY H H 64 9.095 8.287 0.808 1
1 713 . 19 1 1 A 68 68 GLY HA2 H 64 4.863 4.088 0.775 1
1 714 . 19 1 1 A 68 68 GLY HA3 H 64 3.821 4.106 -0.285 1
1 715 . 19 1 1 A 68 68 GLY C C 64 172.509 174.871 -2.362 1
1 716 . 19 1 1 A 68 68 GLY CA C 64 43.870 44.561 -0.691 1
1 717 . 19 1 1 A 68 68 GLY N N 64 110.080 112.212 -2.132 1
1 718 . 19 1 1 A 69 69 CYS H H 65 8.398 8.719 -0.321 1
1 719 . 19 1 1 A 69 69 CYS HA H 65 3.846 4.142 -0.296 1
1 722 . 19 1 1 A 69 69 CYS C C 65 173.741 176.518 -2.777 1
1 723 . 19 1 1 A 69 69 CYS CA C 65 62.944 63.121 -0.177 1
1 724 . 19 1 1 A 69 69 CYS CB C 65 45.022 27.767 17.255 1
1 725 . 19 1 1 A 69 69 CYS N N 65 118.292 119.241 -0.949 1
1 726 . 19 1 1 A 70 70 ASP H H 66 9.110 8.200 0.910 1
1 727 . 19 1 1 A 70 70 ASP HA H 66 5.745 4.378 1.367 1
1 730 . 19 1 1 A 70 70 ASP C C 66 178.777 178.945 -0.168 1
1 731 . 19 1 1 A 70 70 ASP CA C 66 57.437 57.223 0.214 1
1 732 . 19 1 1 A 70 70 ASP CB C 66 40.016 40.152 -0.136 1
1 733 . 19 1 1 A 70 70 ASP N N 66 123.178 121.598 1.580 1
1 734 . 19 1 1 A 71 71 ASP H H 67 7.301 8.073 -0.772 1
1 735 . 19 1 1 A 71 71 ASP HA H 67 4.362 4.282 0.080 1
1 738 . 19 1 1 A 71 71 ASP C C 67 177.474 178.735 -1.261 1
1 739 . 19 1 1 A 71 71 ASP CA C 67 57.381 57.481 -0.100 1
1 740 . 19 1 1 A 71 71 ASP CB C 67 41.503 40.767 0.736 1
1 741 . 19 1 1 A 71 71 ASP N N 67 119.848 120.033 -0.185 1
1 742 . 19 1 1 A 72 72 LEU H H 68 7.805 7.739 0.066 1
1 743 . 19 1 1 A 72 72 LEU HA H 68 3.822 4.054 -0.232 1
1 753 . 19 1 1 A 72 72 LEU C C 68 177.509 178.490 -0.981 1
1 754 . 19 1 1 A 72 72 LEU CA C 68 58.446 57.948 0.498 1
1 755 . 19 1 1 A 72 72 LEU CB C 68 42.524 41.613 0.911 1
1 757 . 19 1 1 A 72 72 LEU N N 68 121.720 117.996 3.724 1
1 758 . 19 1 1 A 73 73 TYR H H 69 8.229 8.477 -0.248 1
1 759 . 19 1 1 A 73 73 TYR HA H 69 3.772 4.293 -0.521 1
1 766 . 19 1 1 A 73 73 TYR C C 69 177.721 178.107 -0.386 1
1 767 . 19 1 1 A 73 73 TYR CA C 69 62.867 60.532 2.335 1
1 768 . 19 1 1 A 73 73 TYR CB C 69 38.215 38.081 0.134 1
1 769 . 19 1 1 A 73 73 TYR N N 69 116.501 120.254 -3.753 1
1 770 . 19 1 1 A 74 74 ALA H H 70 8.275 8.725 -0.450 1
1 771 . 19 1 1 A 74 74 ALA HA H 70 4.286 4.101 0.185 1
1 775 . 19 1 1 A 74 74 ALA C C 70 180.045 179.866 0.179 1
1 776 . 19 1 1 A 74 74 ALA CA C 70 55.701 55.222 0.479 1
1 777 . 19 1 1 A 74 74 ALA CB C 70 17.944 18.254 -0.310 1
1 778 . 19 1 1 A 74 74 ALA N N 70 122.883 121.637 1.246 1
1 779 . 19 1 1 A 75 75 LEU H H 71 7.558 8.535 -0.977 1
1 780 . 19 1 1 A 75 75 LEU HA H 71 3.975 3.877 0.098 1
1 790 . 19 1 1 A 75 75 LEU C C 71 179.024 178.952 0.072 1
1 791 . 19 1 1 A 75 75 LEU CA C 71 57.994 58.192 -0.198 1
1 792 . 19 1 1 A 75 75 LEU CB C 71 42.836 41.572 1.264 1
1 793 . 19 1 1 A 75 75 LEU N N 71 117.133 117.962 -0.829 1
1 794 . 19 1 1 A 76 76 GLU H H 72 7.587 8.282 -0.695 1
1 795 . 19 1 1 A 76 76 GLU HA H 72 4.473 3.849 0.624 1
1 800 . 19 1 1 A 76 76 GLU C C 72 179.270 178.441 0.829 1
1 801 . 19 1 1 A 76 76 GLU CA C 72 58.296 59.920 -1.624 1
1 802 . 19 1 1 A 76 76 GLU CB C 72 28.457 29.029 -0.572 1
1 803 . 19 1 1 A 76 76 GLU N N 72 121.576 119.368 2.208 1
1 804 . 19 1 1 A 77 77 ASN H H 73 8.863 7.941 0.922 1
1 805 . 19 1 1 A 77 77 ASN HA H 73 4.511 4.452 0.059 1
1 810 . 19 1 1 A 77 77 ASN C C 73 176.664 177.110 -0.446 1
1 811 . 19 1 1 A 77 77 ASN CA C 73 55.944 55.471 0.473 1
1 812 . 19 1 1 A 77 77 ASN CB C 73 38.660 38.485 0.175 1
1 814 . 19 1 1 A 77 77 ASN N N 73 120.232 117.936 2.296 1
1 816 . 19 1 1 A 78 78 LYS H H 74 7.617 7.607 0.010 1
1 817 . 19 1 1 A 78 78 LYS HA H 74 4.426 4.301 0.125 1
1 826 . 19 1 1 A 78 78 LYS C C 74 176.312 176.417 -0.105 1
1 827 . 19 1 1 A 78 78 LYS CA C 74 55.863 56.279 -0.416 1
1 828 . 19 1 1 A 78 78 LYS CB C 74 33.482 32.993 0.489 1
1 829 . 19 1 1 A 78 78 LYS N N 74 115.597 116.690 -1.093 1
1 830 . 19 1 1 A 79 79 GLY H H 75 8.023 7.625 0.398 1
1 831 . 19 1 1 A 79 79 GLY HA2 H 75 4.060 3.972 0.088 1
1 832 . 19 1 1 A 79 79 GLY HA3 H 75 4.060 3.975 0.085 1
1 833 . 19 1 1 A 79 79 GLY C C 75 175.009 175.386 -0.377 1
1 834 . 19 1 1 A 79 79 GLY CA C 75 46.234 45.140 1.094 1
1 835 . 19 1 1 A 79 79 GLY N N 75 109.073 105.749 3.324 1
1 836 . 19 1 1 A 80 80 LYS H H 76 8.091 8.381 -0.290 1
1 837 . 19 1 1 A 80 80 LYS HA H 76 4.422 4.299 0.123 1
1 846 . 19 1 1 A 80 80 LYS C C 76 173.037 177.707 -4.670 1
1 847 . 19 1 1 A 80 80 LYS CA C 76 55.679 57.178 -1.499 1
1 848 . 19 1 1 A 80 80 LYS CB C 76 35.038 32.055 2.983 1
1 849 . 19 1 1 A 80 80 LYS N N 76 116.888 121.042 -4.154 1
1 850 . 19 1 1 A 81 81 LEU H H 77 7.411 7.789 -0.378 1
1 851 . 19 1 1 A 81 81 LEU HA H 77 4.003 3.929 0.074 1
1 861 . 19 1 1 A 81 81 LEU C C 77 177.333 177.734 -0.401 1
1 862 . 19 1 1 A 81 81 LEU CA C 77 57.512 58.199 -0.687 1
1 863 . 19 1 1 A 81 81 LEU CB C 77 40.676 41.540 -0.864 1
1 864 . 19 1 1 A 81 81 LEU N N 77 122.079 121.373 0.706 1
1 865 . 19 1 1 A 82 82 ASP H H 78 8.613 8.435 0.178 1
1 866 . 19 1 1 A 82 82 ASP HA H 78 4.232 4.292 -0.060 1
1 869 . 19 1 1 A 82 82 ASP C C 78 178.354 178.863 -0.509 1
1 870 . 19 1 1 A 82 82 ASP CA C 78 58.438 57.779 0.659 1
1 871 . 19 1 1 A 82 82 ASP CB C 78 39.890 40.417 -0.527 1
1 872 . 19 1 1 A 82 82 ASP N N 78 118.813 118.689 0.124 1
1 873 . 19 1 1 A 83 83 SER H H 79 7.886 7.621 0.265 1
1 874 . 19 1 1 A 83 83 SER HA H 79 4.164 4.212 -0.048 1
1 877 . 19 1 1 A 83 83 SER C C 79 176.171 177.410 -1.239 1
1 878 . 19 1 1 A 83 83 SER CA C 79 61.285 61.299 -0.014 1
1 879 . 19 1 1 A 83 83 SER CB C 79 62.632 62.892 -0.260 1
1 880 . 19 1 1 A 83 83 SER N N 79 113.338 114.615 -1.277 1
1 881 . 19 1 1 A 84 84 LEU H H 80 7.354 8.457 -1.103 1
1 882 . 19 1 1 A 84 84 LEU HA H 80 4.152 3.906 0.246 1
1 892 . 19 1 1 A 84 84 LEU C C 80 173.671 179.028 -5.357 1
1 893 . 19 1 1 A 84 84 LEU CA C 80 56.841 58.179 -1.338 1
1 894 . 19 1 1 A 84 84 LEU CB C 80 42.682 42.227 0.455 1
1 897 . 19 1 1 A 84 84 LEU N N 80 121.453 122.052 -0.599 1
1 898 . 19 1 1 A 85 85 LEU H H 81 7.655 8.733 -1.078 1
1 899 . 19 1 1 A 85 85 LEU HA H 81 4.113 3.824 0.289 1
1 909 . 19 1 1 A 85 85 LEU C C 81 177.333 179.076 -1.743 1
1 910 . 19 1 1 A 85 85 LEU CA C 81 55.748 58.227 -2.479 1
1 911 . 19 1 1 A 85 85 LEU CB C 81 41.707 41.592 0.115 1
1 914 . 19 1 1 A 85 85 LEU N N 81 115.497 118.095 -2.598 1
1 915 . 19 1 1 A 86 86 GLN H H 82 7.414 8.225 -0.811 1
1 916 . 19 1 1 A 86 86 GLN HA H 82 4.177 4.156 0.021 1
1 923 . 19 1 1 A 86 86 GLN C C 82 175.537 177.373 -1.836 1
1 924 . 19 1 1 A 86 86 GLN CA C 82 56.986 58.389 -1.403 1
1 925 . 19 1 1 A 86 86 GLN CB C 82 29.187 29.013 0.174 1
1 928 . 19 1 1 A 86 86 GLN N N 82 117.020 117.869 -0.849 1
1 930 . 19 1 1 A 87 87 ASP H H 83 8.092 7.935 0.157 1
1 931 . 19 1 1 A 87 87 ASP HA H 83 4.672 4.602 0.070 1
1 934 . 19 1 1 A 87 87 ASP C C 83 177.263 178.730 -1.467 1
1 935 . 19 1 1 A 87 87 ASP CA C 83 54.394 56.377 -1.983 1
1 936 . 19 1 1 A 87 87 ASP CB C 83 40.722 41.058 -0.336 1
1 937 . 19 1 1 A 87 87 ASP N N 83 119.072 118.574 0.498 1
1 938 . 19 1 1 A 88 88 VAL H H 84 7.692 8.186 -0.494 1
1 939 . 19 1 1 A 88 88 VAL HA H 84 4.175 3.939 0.236 1
1 947 . 19 1 1 A 88 88 VAL C C 84 174.164 178.097 -3.933 1
1 948 . 19 1 1 A 88 88 VAL CA C 84 62.165 65.602 -3.437 1
1 949 . 19 1 1 A 88 88 VAL CB C 84 32.284 31.249 1.035 1
1 952 . 19 1 1 A 88 88 VAL N N 84 118.778 115.548 3.230 1
1 1 . 20 1 1 A 2 2 PRO C C -2 177.005 176.368 0.637 1
1 2 . 20 1 1 A 2 2 PRO CA C -2 63.481 62.660 0.821 1
1 3 . 20 1 1 A 2 2 PRO CB C -2 32.244 32.436 -0.192 1
1 4 . 20 1 1 A 3 3 GLY H H -1 8.665 8.318 0.347 1
1 5 . 20 1 1 A 3 3 GLY HA2 H -1 3.985 4.299 -0.314 1
1 6 . 20 1 1 A 3 3 GLY HA3 H -1 3.985 4.299 -0.314 1
1 7 . 20 1 1 A 3 3 GLY C C -1 173.706 172.025 1.681 1
1 8 . 20 1 1 A 3 3 GLY CA C -1 45.291 45.494 -0.203 1
1 9 . 20 1 1 A 3 3 GLY N N -1 109.788 108.581 1.207 1
1 10 . 20 1 1 A 4 4 SER H H 0 8.190 8.768 -0.578 1
1 11 . 20 1 1 A 4 4 SER HA H 0 4.477 5.202 -0.725 1
1 14 . 20 1 1 A 4 4 SER C C 0 175.738 172.674 3.064 1
1 15 . 20 1 1 A 4 4 SER CA C 0 58.322 57.615 0.707 1
1 16 . 20 1 1 A 4 4 SER CB C 0 63.927 64.752 -0.825 1
1 17 . 20 1 1 A 4 4 SER N N 0 115.613 117.182 -1.569 1
1 18 . 20 1 1 A 5 5 MET H H 1 8.458 9.016 -0.558 1
1 19 . 20 1 1 A 5 5 MET HA H 1 4.320 4.988 -0.668 1
1 27 . 20 1 1 A 5 5 MET C C 1 173.977 175.489 -1.512 1
1 28 . 20 1 1 A 5 5 MET CA C 1 56.011 54.029 1.982 1
1 29 . 20 1 1 A 5 5 MET CB C 1 33.797 35.206 -1.409 1
1 30 . 20 1 1 A 5 5 MET N N 1 122.334 126.770 -4.436 1
1 31 . 20 1 1 A 6 6 LYS H H 2 8.445 8.466 -0.021 1
1 32 . 20 1 1 A 6 6 LYS HA H 2 4.566 4.261 0.305 1
1 39 . 20 1 1 A 6 6 LYS C C 2 174.575 175.865 -1.290 1
1 40 . 20 1 1 A 6 6 LYS CA C 2 55.887 56.551 -0.664 1
1 41 . 20 1 1 A 6 6 LYS CB C 2 33.848 32.490 1.358 1
1 42 . 20 1 1 A 6 6 LYS N N 2 122.229 122.431 -0.202 1
1 43 . 20 1 1 A 7 7 GLU H H 3 8.324 8.890 -0.566 1
1 44 . 20 1 1 A 7 7 GLU HA H 3 4.440 5.223 -0.783 1
1 49 . 20 1 1 A 7 7 GLU C C 3 175.491 174.167 1.324 1
1 50 . 20 1 1 A 7 7 GLU CA C 3 55.680 54.781 0.899 1
1 51 . 20 1 1 A 7 7 GLU CB C 3 31.513 33.728 -2.215 1
1 52 . 20 1 1 A 7 7 GLU N N 3 121.539 124.621 -3.082 1
1 53 . 20 1 1 A 8 8 ILE H H 4 9.014 8.857 0.157 1
1 54 . 20 1 1 A 8 8 ILE HA H 4 5.025 4.890 0.135 1
1 64 . 20 1 1 A 8 8 ILE C C 4 174.199 174.432 -0.233 1
1 65 . 20 1 1 A 8 8 ILE CA C 4 60.927 60.179 0.748 1
1 66 . 20 1 1 A 8 8 ILE CB C 4 38.759 40.652 -1.893 1
1 69 . 20 1 1 A 8 8 ILE N N 4 127.255 126.748 0.507 1
1 70 . 20 1 1 A 9 9 ILE H H 5 9.104 8.908 0.196 1
1 71 . 20 1 1 A 9 9 ILE HA H 5 4.900 5.007 -0.107 1
1 81 . 20 1 1 A 9 9 ILE C C 5 173.906 175.202 -1.296 1
1 82 . 20 1 1 A 9 9 ILE CA C 5 59.727 59.396 0.331 1
1 83 . 20 1 1 A 9 9 ILE CB C 5 41.627 42.128 -0.501 1
1 87 . 20 1 1 A 9 9 ILE N N 5 128.326 128.788 -0.462 1
1 88 . 20 1 1 A 10 10 LEU H H 6 8.891 8.790 0.101 1
1 89 . 20 1 1 A 10 10 LEU HA H 6 5.157 5.209 -0.052 1
1 96 . 20 1 1 A 10 10 LEU CA C 6 54.076 53.447 0.629 1
1 97 . 20 1 1 A 10 10 LEU CB C 6 44.892 44.319 0.573 1
1 100 . 20 1 1 A 10 10 LEU N N 6 125.779 124.497 1.282 1
1 101 . 20 1 1 A 11 11 TYR H H 7 9.099 9.069 0.030 1
1 102 . 20 1 1 A 11 11 TYR HA H 7 4.336 5.293 -0.957 1
1 109 . 20 1 1 A 11 11 TYR C C 7 177.041 175.439 1.602 1
1 110 . 20 1 1 A 11 11 TYR CA C 7 57.379 56.889 0.490 1
1 111 . 20 1 1 A 11 11 TYR CB C 7 40.345 39.556 0.789 1
1 112 . 20 1 1 A 12 12 THR H H 8 9.286 8.630 0.656 1
1 113 . 20 1 1 A 12 12 THR HA H 8 5.105 5.022 0.083 1
1 118 . 20 1 1 A 12 12 THR C C 8 172.005 173.173 -1.168 1
1 119 . 20 1 1 A 12 12 THR CA C 8 60.604 61.048 -0.444 1
1 120 . 20 1 1 A 12 12 THR CB C 8 73.108 70.841 2.267 1
1 122 . 20 1 1 A 12 12 THR N N 8 111.938 114.771 -2.833 1
1 123 . 20 1 1 A 13 13 ARG H H 9 7.513 8.564 -1.051 1
1 124 . 20 1 1 A 13 13 ARG HA H 9 4.826 4.814 0.012 1
1 131 . 20 1 1 A 13 13 ARG CA C 9 52.836 54.209 -1.373 1
1 132 . 20 1 1 A 13 13 ARG CB C 9 31.436 30.959 0.477 1
1 133 . 20 1 1 A 13 13 ARG N N 9 114.036 120.618 -6.582 1
1 134 . 20 1 1 A 14 14 PRO HA H 10 4.294 4.553 -0.259 1
1 141 . 20 1 1 A 14 14 PRO C C 10 176.477 177.006 -0.529 1
1 142 . 20 1 1 A 14 14 PRO CA C 10 63.464 64.251 -0.787 1
1 143 . 20 1 1 A 14 14 PRO CB C 10 32.615 31.641 0.974 1
1 144 . 20 1 1 A 15 15 ASN H H 11 8.987 8.187 0.800 1
1 145 . 20 1 1 A 15 15 ASN HA H 11 4.240 4.970 -0.730 1
1 150 . 20 1 1 A 15 15 ASN C C 11 176.266 173.761 2.505 1
1 151 . 20 1 1 A 15 15 ASN CA C 11 54.464 52.149 2.315 1
1 152 . 20 1 1 A 15 15 ASN CB C 11 37.500 38.110 -0.610 1
1 154 . 20 1 1 A 15 15 ASN N N 11 115.463 115.196 0.267 1
1 156 . 20 1 1 A 16 16 CYS H H 12 7.324 7.952 -0.628 1
1 157 . 20 1 1 A 16 16 CYS HA H 12 4.931 5.030 -0.099 1
1 160 . 20 1 1 A 16 16 CYS CA C 12 56.277 56.504 -0.227 1
1 161 . 20 1 1 A 16 16 CYS N N 12 123.174 117.568 5.606 1
1 162 . 20 1 1 A 17 17 PRO C C 13 178.555 176.473 2.082 1
1 163 . 20 1 1 A 17 17 PRO CA C 13 64.409 64.163 0.246 1
1 164 . 20 1 1 A 17 17 PRO CB C 13 33.538 31.709 1.829 1
1 165 . 20 1 1 A 18 18 TYR H H 14 9.325 8.008 1.317 1
1 166 . 20 1 1 A 18 18 TYR HA H 14 4.404 4.529 -0.125 1
1 173 . 20 1 1 A 18 18 TYR CA C 14 60.921 59.527 1.394 1
1 174 . 20 1 1 A 18 18 TYR N N 14 127.149 115.084 12.065 1
1 175 . 20 1 1 A 19 19 CYS H H 15 9.687 8.617 1.070 1
1 176 . 20 1 1 A 19 19 CYS HA H 15 4.725 4.405 0.320 1
1 177 . 20 1 1 A 19 19 CYS C C 15 174.998 177.061 -2.063 1
1 178 . 20 1 1 A 19 19 CYS CA C 15 64.573 61.753 2.820 1
1 179 . 20 1 1 A 19 19 CYS CB C 15 29.227 27.225 2.002 1
1 180 . 20 1 1 A 19 19 CYS N N 15 127.652 120.361 7.291 1
1 181 . 20 1 1 A 20 20 LYS H H 16 7.706 8.188 -0.482 1
1 182 . 20 1 1 A 20 20 LYS HA H 16 3.946 3.977 -0.031 1
1 191 . 20 1 1 A 20 20 LYS C C 16 177.252 179.553 -2.301 1
1 192 . 20 1 1 A 20 20 LYS CA C 16 59.857 60.017 -0.160 1
1 193 . 20 1 1 A 20 20 LYS CB C 16 32.542 32.387 0.155 1
1 194 . 20 1 1 A 20 20 LYS N N 16 119.200 121.883 -2.683 1
1 195 . 20 1 1 A 21 21 ARG H H 17 7.839 8.068 -0.229 1
1 196 . 20 1 1 A 21 21 ARG HA H 17 4.176 4.032 0.144 1
1 203 . 20 1 1 A 21 21 ARG C C 17 179.858 179.031 0.827 1
1 204 . 20 1 1 A 21 21 ARG CA C 17 59.647 59.183 0.464 1
1 205 . 20 1 1 A 21 21 ARG CB C 17 30.340 29.549 0.791 1
1 206 . 20 1 1 A 21 21 ARG N N 17 117.964 119.820 -1.856 1
1 207 . 20 1 1 A 22 22 ALA H H 18 8.084 8.308 -0.224 1
1 208 . 20 1 1 A 22 22 ALA HA H 18 4.168 4.240 -0.072 1
1 212 . 20 1 1 A 22 22 ALA C C 18 177.322 179.465 -2.143 1
1 213 . 20 1 1 A 22 22 ALA CA C 18 55.859 55.543 0.316 1
1 214 . 20 1 1 A 22 22 ALA CB C 18 19.047 18.379 0.668 1
1 215 . 20 1 1 A 22 22 ALA N N 18 124.839 122.094 2.745 1
1 216 . 20 1 1 A 23 23 ARG H H 19 7.811 7.939 -0.128 1
1 217 . 20 1 1 A 23 23 ARG HA H 19 3.320 3.413 -0.093 1
1 224 . 20 1 1 A 23 23 ARG C C 19 177.217 178.035 -0.818 1
1 225 . 20 1 1 A 23 23 ARG CA C 19 60.780 58.600 2.180 1
1 226 . 20 1 1 A 23 23 ARG CB C 19 30.828 29.684 1.144 1
1 227 . 20 1 1 A 23 23 ARG N N 19 116.980 117.211 -0.231 1
1 228 . 20 1 1 A 24 24 ASP H H 20 8.710 7.965 0.745 1
1 229 . 20 1 1 A 24 24 ASP HA H 20 4.299 4.430 -0.131 1
1 232 . 20 1 1 A 24 24 ASP C C 20 178.625 178.326 0.299 1
1 233 . 20 1 1 A 24 24 ASP CA C 20 57.477 57.057 0.420 1
1 234 . 20 1 1 A 24 24 ASP CB C 20 40.551 41.088 -0.537 1
1 235 . 20 1 1 A 24 24 ASP N N 20 116.717 120.224 -3.507 1
1 236 . 20 1 1 A 25 25 LEU H H 21 7.114 8.024 -0.910 1
1 237 . 20 1 1 A 25 25 LEU HA H 21 4.131 4.065 0.066 1
1 246 . 20 1 1 A 25 25 LEU C C 21 177.580 178.447 -0.867 1
1 247 . 20 1 1 A 25 25 LEU CA C 21 57.857 58.393 -0.536 1
1 248 . 20 1 1 A 25 25 LEU CB C 21 41.654 41.668 -0.014 1
1 251 . 20 1 1 A 25 25 LEU N N 21 119.808 120.685 -0.877 1
1 252 . 20 1 1 A 26 26 LEU H H 22 7.294 8.086 -0.792 1
1 253 . 20 1 1 A 26 26 LEU HA H 22 3.767 3.805 -0.038 1
1 262 . 20 1 1 A 26 26 LEU C C 22 178.696 178.582 0.114 1
1 263 . 20 1 1 A 26 26 LEU CA C 22 58.107 58.107 0.000 1
1 264 . 20 1 1 A 26 26 LEU CB C 22 40.750 41.655 -0.905 1
1 267 . 20 1 1 A 26 26 LEU N N 22 117.901 118.839 -0.938 1
1 268 . 20 1 1 A 27 27 ASP H H 23 9.446 8.389 1.057 1
1 269 . 20 1 1 A 27 27 ASP HA H 23 4.608 4.489 0.119 1
1 272 . 20 1 1 A 27 27 ASP C C 23 180.104 178.943 1.161 1
1 273 . 20 1 1 A 27 27 ASP CA C 23 57.406 57.625 -0.219 1
1 274 . 20 1 1 A 27 27 ASP CB C 23 39.839 42.243 -2.404 1
1 275 . 20 1 1 A 27 27 ASP N N 23 119.946 118.709 1.237 1
1 276 . 20 1 1 A 28 28 LYS H H 24 7.915 7.853 0.062 1
1 277 . 20 1 1 A 28 28 LYS HA H 24 4.079 4.104 -0.025 1
1 286 . 20 1 1 A 28 28 LYS C C 24 178.414 179.041 -0.627 1
1 287 . 20 1 1 A 28 28 LYS CA C 24 59.295 59.148 0.147 1
1 288 . 20 1 1 A 28 28 LYS CB C 24 32.342 31.675 0.667 1
1 289 . 20 1 1 A 28 28 LYS N N 24 122.484 119.596 2.888 1
1 290 . 20 1 1 A 29 29 LYS H H 25 7.763 7.662 0.101 1
1 291 . 20 1 1 A 29 29 LYS HA H 25 4.195 4.237 -0.042 1
1 300 . 20 1 1 A 29 29 LYS C C 25 176.583 177.173 -0.590 1
1 301 . 20 1 1 A 29 29 LYS CA C 25 56.122 56.727 -0.605 1
1 302 . 20 1 1 A 29 29 LYS CB C 25 32.771 32.758 0.013 1
1 303 . 20 1 1 A 29 29 LYS N N 25 116.683 116.175 0.508 1
1 304 . 20 1 1 A 30 30 GLY H H 26 7.961 8.117 -0.156 1
1 305 . 20 1 1 A 30 30 GLY HA2 H 26 4.005 4.044 -0.039 1
1 306 . 20 1 1 A 30 30 GLY HA3 H 26 3.894 4.068 -0.174 1
1 307 . 20 1 1 A 30 30 GLY C C 26 174.223 173.741 0.482 1
1 308 . 20 1 1 A 30 30 GLY CA C 26 46.265 46.321 -0.056 1
1 309 . 20 1 1 A 30 30 GLY N N 26 108.209 106.812 1.397 1
1 310 . 20 1 1 A 31 31 VAL H H 27 7.440 7.548 -0.108 1
1 311 . 20 1 1 A 31 31 VAL HA H 27 4.355 4.972 -0.617 1
1 319 . 20 1 1 A 31 31 VAL C C 27 174.294 174.550 -0.256 1
1 320 . 20 1 1 A 31 31 VAL CA C 27 60.115 59.030 1.085 1
1 321 . 20 1 1 A 31 31 VAL CB C 27 33.737 36.607 -2.870 1
1 323 . 20 1 1 A 31 31 VAL N N 27 114.927 114.021 0.906 1
1 324 . 20 1 1 A 32 32 LYS H H 28 8.408 8.639 -0.231 1
1 325 . 20 1 1 A 32 32 LYS HA H 28 4.268 4.885 -0.617 1
1 334 . 20 1 1 A 32 32 LYS C C 28 175.385 175.631 -0.246 1
1 335 . 20 1 1 A 32 32 LYS CA C 28 55.441 54.899 0.542 1
1 336 . 20 1 1 A 32 32 LYS CB C 28 33.269 33.929 -0.660 1
1 337 . 20 1 1 A 32 32 LYS N N 28 124.540 120.637 3.903 1
1 338 . 20 1 1 A 33 33 TYR H H 29 7.451 8.767 -1.316 1
1 339 . 20 1 1 A 33 33 TYR HA H 29 5.149 5.422 -0.273 1
1 346 . 20 1 1 A 33 33 TYR C C 29 173.730 174.889 -1.159 1
1 347 . 20 1 1 A 33 33 TYR CA C 29 57.198 56.009 1.189 1
1 348 . 20 1 1 A 33 33 TYR CB C 29 41.499 40.494 1.005 1
1 353 . 20 1 1 A 33 33 TYR N N 29 117.090 124.073 -6.983 1
1 354 . 20 1 1 A 34 34 THR H H 30 9.106 9.004 0.102 1
1 355 . 20 1 1 A 34 34 THR HA H 30 4.368 4.888 -0.520 1
1 360 . 20 1 1 A 34 34 THR C C 30 171.336 172.855 -1.519 1
1 361 . 20 1 1 A 34 34 THR CA C 30 62.096 61.642 0.454 1
1 362 . 20 1 1 A 34 34 THR CB C 30 70.603 69.739 0.864 1
1 364 . 20 1 1 A 34 34 THR N N 30 119.343 116.935 2.408 1
1 365 . 20 1 1 A 35 35 ASP H H 31 8.772 9.111 -0.339 1
1 366 . 20 1 1 A 35 35 ASP HA H 31 5.283 4.950 0.333 1
1 369 . 20 1 1 A 35 35 ASP C C 31 175.245 174.854 0.391 1
1 370 . 20 1 1 A 35 35 ASP CA C 31 52.549 53.913 -1.364 1
1 371 . 20 1 1 A 35 35 ASP CB C 31 42.286 42.374 -0.088 1
1 372 . 20 1 1 A 35 35 ASP N N 31 129.184 127.574 1.610 1
1 373 . 20 1 1 A 36 36 ILE H H 32 9.283 9.188 0.095 1
1 374 . 20 1 1 A 36 36 ILE HA H 32 4.081 4.513 -0.432 1
1 384 . 20 1 1 A 36 36 ILE C C 32 175.854 175.459 0.395 1
1 385 . 20 1 1 A 36 36 ILE CA C 32 60.226 60.318 -0.092 1
1 386 . 20 1 1 A 36 36 ILE CB C 32 39.998 38.791 1.207 1
1 388 . 20 1 1 A 36 36 ILE N N 32 129.240 127.503 1.737 1
1 389 . 20 1 1 A 37 37 ASP H H 33 8.298 8.825 -0.527 1
1 390 . 20 1 1 A 37 37 ASP HA H 33 4.648 4.572 0.076 1
1 393 . 20 1 1 A 37 37 ASP CA C 33 54.101 54.862 -0.761 1
1 394 . 20 1 1 A 37 37 ASP CB C 33 40.536 41.223 -0.687 1
1 395 . 20 1 1 A 37 37 ASP N N 33 125.570 127.993 -2.423 1
1 396 . 20 1 1 A 38 38 ALA H H 34 9.840 8.706 1.134 1
1 397 . 20 1 1 A 38 38 ALA HA H 34 4.620 4.090 0.530 1
1 401 . 20 1 1 A 38 38 ALA C C 34 175.185 177.843 -2.658 1
1 402 . 20 1 1 A 38 38 ALA CA C 34 51.239 54.803 -3.564 1
1 403 . 20 1 1 A 38 38 ALA CB C 34 20.627 18.552 2.075 1
1 404 . 20 1 1 A 38 38 ALA N N 34 134.980 124.480 10.500 1
1 405 . 20 1 1 A 39 39 SER H H 35 8.679 7.599 1.080 1
1 406 . 20 1 1 A 39 39 SER HA H 35 4.189 4.287 -0.098 1
1 409 . 20 1 1 A 39 39 SER C C 35 175.713 175.738 -0.025 1
1 410 . 20 1 1 A 39 39 SER CA C 35 60.956 58.531 2.425 1
1 411 . 20 1 1 A 39 39 SER CB C 35 64.425 64.165 0.260 1
1 412 . 20 1 1 A 39 39 SER N N 35 111.865 114.432 -2.567 1
1 413 . 20 1 1 A 40 40 THR H H 36 8.438 8.679 -0.241 1
1 414 . 20 1 1 A 40 40 THR HA H 36 4.672 4.181 0.491 1
1 419 . 20 1 1 A 40 40 THR CA C 36 59.859 64.984 -5.125 1
1 421 . 20 1 1 A 40 40 THR N N 36 114.335 121.869 -7.534 1
1 422 . 20 1 1 A 41 41 SER C C 37 174.129 175.710 -1.581 1
1 423 . 20 1 1 A 41 41 SER CA C 37 60.964 61.712 -0.748 1
1 424 . 20 1 1 A 41 41 SER CB C 37 63.605 62.614 0.991 1
1 425 . 20 1 1 A 42 42 LEU H H 38 8.643 7.454 1.189 1
1 426 . 20 1 1 A 42 42 LEU HA H 38 4.679 4.689 -0.010 1
1 436 . 20 1 1 A 42 42 LEU C C 38 176.347 178.000 -1.653 1
1 437 . 20 1 1 A 42 42 LEU CA C 38 54.842 55.522 -0.680 1
1 438 . 20 1 1 A 42 42 LEU CB C 38 41.117 44.668 -3.551 1
1 439 . 20 1 1 A 42 42 LEU N N 38 121.245 121.899 -0.654 1
1 440 . 20 1 1 A 43 43 ARG H H 39 7.583 8.470 -0.887 1
1 441 . 20 1 1 A 43 43 ARG HA H 39 4.173 3.974 0.199 1
1 448 . 20 1 1 A 43 43 ARG C C 39 175.925 178.386 -2.461 1
1 449 . 20 1 1 A 43 43 ARG CA C 39 60.907 59.851 1.056 1
1 450 . 20 1 1 A 43 43 ARG N N 39 123.341 119.866 3.475 1
1 451 . 20 1 1 A 44 44 GLN H H 40 8.203 8.103 0.100 1
1 452 . 20 1 1 A 44 44 GLN HA H 40 3.974 3.950 0.024 1
1 459 . 20 1 1 A 44 44 GLN C C 40 175.608 178.441 -2.833 1
1 460 . 20 1 1 A 44 44 GLN CA C 40 58.622 59.239 -0.617 1
1 461 . 20 1 1 A 44 44 GLN CB C 40 28.591 28.144 0.447 1
1 464 . 20 1 1 A 44 44 GLN N N 40 114.940 118.304 -3.364 1
1 466 . 20 1 1 A 45 45 GLU H H 41 7.616 7.965 -0.349 1
1 467 . 20 1 1 A 45 45 GLU HA H 41 3.947 4.060 -0.113 1
1 472 . 20 1 1 A 45 45 GLU CA C 41 59.009 59.127 -0.118 1
1 473 . 20 1 1 A 45 45 GLU CB C 41 30.110 29.894 0.216 1
1 474 . 20 1 1 A 45 45 GLU N N 41 120.916 119.866 1.050 1
1 475 . 20 1 1 A 46 46 MET H H 42 7.474 8.116 -0.642 1
1 476 . 20 1 1 A 46 46 MET HA H 42 4.778 4.159 0.619 1
1 483 . 20 1 1 A 46 46 MET C C 42 176.347 178.130 -1.783 1
1 484 . 20 1 1 A 46 46 MET CA C 42 59.567 58.697 0.870 1
1 485 . 20 1 1 A 46 46 MET CB C 42 30.294 32.525 -2.231 1
1 487 . 20 1 1 A 46 46 MET N N 42 118.736 119.520 -0.784 1
1 488 . 20 1 1 A 47 47 VAL H H 43 8.006 8.692 -0.686 1
1 489 . 20 1 1 A 47 47 VAL HA H 43 3.624 3.424 0.200 1
1 497 . 20 1 1 A 47 47 VAL C C 43 176.911 177.292 -0.381 1
1 498 . 20 1 1 A 47 47 VAL CA C 43 65.362 65.023 0.339 1
1 499 . 20 1 1 A 47 47 VAL CB C 43 31.859 30.399 1.460 1
1 501 . 20 1 1 A 47 47 VAL N N 43 116.804 118.858 -2.054 1
1 502 . 20 1 1 A 48 48 GLN H H 44 7.935 7.613 0.322 1
1 503 . 20 1 1 A 48 48 GLN HA H 44 3.972 4.218 -0.246 1
1 510 . 20 1 1 A 48 48 GLN C C 44 178.636 178.332 0.304 1
1 511 . 20 1 1 A 48 48 GLN CA C 44 58.472 59.110 -0.638 1
1 512 . 20 1 1 A 48 48 GLN CB C 44 30.542 28.212 2.330 1
1 513 . 20 1 1 A 48 48 GLN N N 44 117.704 120.424 -2.720 1
1 515 . 20 1 1 A 49 49 ARG H H 45 8.100 8.024 0.076 1
1 516 . 20 1 1 A 49 49 ARG HA H 45 3.906 4.073 -0.167 1
1 521 . 20 1 1 A 49 49 ARG CA C 45 59.397 58.533 0.864 1
1 522 . 20 1 1 A 49 49 ARG CB C 45 29.993 29.820 0.173 1
1 523 . 20 1 1 A 49 49 ARG N N 45 120.984 119.823 1.161 1
1 524 . 20 1 1 A 50 50 ALA H H 46 8.279 7.480 0.799 1
1 525 . 20 1 1 A 50 50 ALA HA H 46 3.782 4.022 -0.240 1
1 529 . 20 1 1 A 50 50 ALA C C 46 178.073 178.720 -0.647 1
1 530 . 20 1 1 A 50 50 ALA CA C 46 51.408 54.544 -3.136 1
1 531 . 20 1 1 A 50 50 ALA CB C 46 18.883 18.378 0.505 1
1 532 . 20 1 1 A 50 50 ALA N N 46 118.254 122.546 -4.292 1
1 533 . 20 1 1 A 51 51 ASN H H 47 7.706 7.913 -0.207 1
1 534 . 20 1 1 A 51 51 ASN HA H 47 4.420 5.105 -0.685 1
1 539 . 20 1 1 A 51 51 ASN C C 47 174.974 175.828 -0.854 1
1 540 . 20 1 1 A 51 51 ASN CA C 47 54.303 52.788 1.515 1
1 541 . 20 1 1 A 51 51 ASN CB C 47 37.804 40.579 -2.775 1
1 543 . 20 1 1 A 51 51 ASN N N 47 115.277 111.554 3.723 1
1 545 . 20 1 1 A 52 52 GLY H H 48 8.702 8.476 0.226 1
1 546 . 20 1 1 A 52 52 GLY HA2 H 48 4.267 3.983 0.284 1
1 547 . 20 1 1 A 52 52 GLY HA3 H 48 3.379 3.994 -0.615 1
1 548 . 20 1 1 A 52 52 GLY CA C 48 45.176 45.284 -0.108 1
1 549 . 20 1 1 A 52 52 GLY N N 48 104.035 108.865 -4.830 1
1 550 . 20 1 1 A 53 53 ARG H H 49 7.116 7.673 -0.557 1
1 551 . 20 1 1 A 53 53 ARG HA H 49 4.144 4.587 -0.443 1
1 558 . 20 1 1 A 53 53 ARG C C 49 176.101 173.751 2.350 1
1 559 . 20 1 1 A 53 53 ARG CA C 49 57.285 55.309 1.976 1
1 560 . 20 1 1 A 53 53 ARG N N 49 121.384 118.864 2.520 1
1 561 . 20 1 1 A 54 54 ASN H H 50 7.958 8.683 -0.725 1
1 562 . 20 1 1 A 54 54 ASN HA H 50 4.589 5.472 -0.883 1
1 567 . 20 1 1 A 54 54 ASN CA C 50 51.568 51.786 -0.218 1
1 568 . 20 1 1 A 54 54 ASN CB C 50 38.018 40.398 -2.380 1
1 570 . 20 1 1 A 54 54 ASN N N 50 116.546 120.871 -4.325 1
1 572 . 20 1 1 A 55 55 THR H H 51 6.818 8.538 -1.720 1
1 573 . 20 1 1 A 55 55 THR HA H 51 4.283 4.740 -0.457 1
1 578 . 20 1 1 A 55 55 THR C C 51 172.509 173.449 -0.940 1
1 579 . 20 1 1 A 55 55 THR CA C 51 59.829 60.417 -0.588 1
1 580 . 20 1 1 A 55 55 THR CB C 51 70.400 71.326 -0.926 1
1 582 . 20 1 1 A 55 55 THR N N 51 108.070 115.292 -7.222 1
1 583 . 20 1 1 A 56 56 PHE H H 52 8.444 8.011 0.433 1
1 584 . 20 1 1 A 56 56 PHE HA H 52 4.730 4.590 0.140 1
1 592 . 20 1 1 A 56 56 PHE CA C 52 55.529 56.068 -0.539 1
1 593 . 20 1 1 A 56 56 PHE N N 52 116.926 121.570 -4.644 1
1 594 . 20 1 1 A 57 57 PRO CA C 53 62.827 63.016 -0.189 1
1 595 . 20 1 1 A 57 57 PRO CB C 53 35.258 33.420 1.838 1
1 596 . 20 1 1 A 58 58 GLN H H 54 8.070 8.663 -0.593 1
1 597 . 20 1 1 A 58 58 GLN HA H 54 4.853 4.861 -0.008 1
1 604 . 20 1 1 A 58 58 GLN C C 54 175.291 173.144 2.147 1
1 605 . 20 1 1 A 58 58 GLN CA C 54 55.071 55.170 -0.099 1
1 606 . 20 1 1 A 58 58 GLN CB C 54 32.237 30.825 1.412 1
1 607 . 20 1 1 A 58 58 GLN N N 54 113.697 116.380 -2.683 1
1 609 . 20 1 1 A 59 59 ILE H H 55 8.753 8.744 0.009 1
1 610 . 20 1 1 A 59 59 ILE HA H 55 5.089 4.781 0.308 1
1 620 . 20 1 1 A 59 59 ILE C C 55 174.164 175.478 -1.314 1
1 621 . 20 1 1 A 59 59 ILE CA C 55 61.194 60.312 0.882 1
1 622 . 20 1 1 A 59 59 ILE CB C 55 40.657 39.191 1.466 1
1 625 . 20 1 1 A 59 59 ILE N N 55 122.202 121.301 0.901 1
1 626 . 20 1 1 A 60 60 PHE H H 56 9.564 9.234 0.330 1
1 627 . 20 1 1 A 60 60 PHE HA H 56 5.390 5.137 0.253 1
1 635 . 20 1 1 A 60 60 PHE C C 56 174.305 175.130 -0.825 1
1 636 . 20 1 1 A 60 60 PHE CA C 56 56.614 57.612 -0.998 1
1 637 . 20 1 1 A 60 60 PHE CB C 56 42.488 41.424 1.064 1
1 638 . 20 1 1 A 60 60 PHE N N 56 127.604 127.417 0.187 1
1 639 . 20 1 1 A 61 61 ILE H H 57 9.231 9.321 -0.090 1
1 640 . 20 1 1 A 61 61 ILE HA H 57 4.483 4.578 -0.095 1
1 650 . 20 1 1 A 61 61 ILE C C 57 176.418 176.278 0.140 1
1 651 . 20 1 1 A 61 61 ILE CA C 57 60.800 60.174 0.626 1
1 652 . 20 1 1 A 61 61 ILE CB C 57 39.431 39.724 -0.293 1
1 656 . 20 1 1 A 61 61 ILE N N 57 121.606 123.816 -2.210 1
1 657 . 20 1 1 A 62 62 GLY H H 58 9.118 9.158 -0.040 1
1 658 . 20 1 1 A 62 62 GLY HA2 H 58 4.092 3.921 0.171 1
1 659 . 20 1 1 A 62 62 GLY HA3 H 58 3.951 3.946 0.005 1
1 660 . 20 1 1 A 62 62 GLY C C 58 174.058 174.414 -0.356 1
1 661 . 20 1 1 A 62 62 GLY CA C 58 47.516 47.485 0.031 1
1 662 . 20 1 1 A 62 62 GLY N N 58 118.483 118.657 -0.174 1
1 663 . 20 1 1 A 63 63 ASP H H 59 8.944 8.803 0.141 1
1 664 . 20 1 1 A 63 63 ASP HA H 59 4.762 5.069 -0.307 1
1 667 . 20 1 1 A 63 63 ASP C C 59 175.220 175.270 -0.050 1
1 668 . 20 1 1 A 63 63 ASP CA C 59 54.467 53.429 1.038 1
1 669 . 20 1 1 A 63 63 ASP CB C 59 40.913 41.804 -0.891 1
1 670 . 20 1 1 A 63 63 ASP N N 59 125.981 125.437 0.544 1
1 671 . 20 1 1 A 64 64 TYR H H 60 8.332 7.937 0.395 1
1 672 . 20 1 1 A 64 64 TYR HA H 60 4.600 4.856 -0.256 1
1 679 . 20 1 1 A 64 64 TYR C C 60 174.023 173.746 0.277 1
1 680 . 20 1 1 A 64 64 TYR CA C 60 57.761 55.912 1.849 1
1 681 . 20 1 1 A 64 64 TYR CB C 60 33.473 41.789 -8.316 1
1 682 . 20 1 1 A 64 64 TYR N N 60 122.443 121.366 1.077 1
1 683 . 20 1 1 A 65 65 HIS H H 61 8.625 7.754 0.871 1
1 684 . 20 1 1 A 65 65 HIS HA H 61 4.200 4.277 -0.077 1
1 689 . 20 1 1 A 65 65 HIS C C 61 171.910 174.860 -2.950 1
1 690 . 20 1 1 A 65 65 HIS CA C 61 53.347 53.389 -0.042 1
1 691 . 20 1 1 A 65 65 HIS CB C 61 28.830 30.557 -1.727 1
1 692 . 20 1 1 A 65 65 HIS N N 61 129.863 122.929 6.934 1
1 693 . 20 1 1 A 66 66 VAL H H 62 8.059 8.565 -0.506 1
1 694 . 20 1 1 A 66 66 VAL HA H 62 3.316 3.534 -0.218 1
1 702 . 20 1 1 A 66 66 VAL CA C 62 64.194 64.778 -0.584 1
1 703 . 20 1 1 A 66 66 VAL CB C 62 32.770 32.179 0.591 1
1 705 . 20 1 1 A 66 66 VAL N N 62 129.219 123.393 5.826 1
1 706 . 20 1 1 A 67 67 GLY H H 63 6.327 7.867 -1.540 1
1 707 . 20 1 1 A 67 67 GLY HA2 H 63 4.503 4.069 0.434 1
1 708 . 20 1 1 A 67 67 GLY HA3 H 63 2.870 4.130 -1.260 1
1 709 . 20 1 1 A 67 67 GLY C C 63 172.156 173.690 -1.534 1
1 710 . 20 1 1 A 67 67 GLY CA C 63 43.551 45.039 -1.488 1
1 711 . 20 1 1 A 67 67 GLY N N 63 102.548 108.558 -6.010 1
1 712 . 20 1 1 A 68 68 GLY H H 64 9.095 7.640 1.455 1
1 713 . 20 1 1 A 68 68 GLY HA2 H 64 4.863 3.991 0.872 1
1 714 . 20 1 1 A 68 68 GLY HA3 H 64 3.821 4.010 -0.189 1
1 715 . 20 1 1 A 68 68 GLY C C 64 172.509 174.146 -1.637 1
1 716 . 20 1 1 A 68 68 GLY CA C 64 43.870 45.839 -1.969 1
1 717 . 20 1 1 A 68 68 GLY N N 64 110.080 108.079 2.001 1
1 718 . 20 1 1 A 69 69 CYS H H 65 8.398 9.013 -0.615 1
1 719 . 20 1 1 A 69 69 CYS HA H 65 3.846 3.931 -0.085 1
1 722 . 20 1 1 A 69 69 CYS C C 65 173.741 176.620 -2.879 1
1 723 . 20 1 1 A 69 69 CYS CA C 65 62.944 62.759 0.185 1
1 724 . 20 1 1 A 69 69 CYS CB C 65 45.022 27.823 17.199 1
1 725 . 20 1 1 A 69 69 CYS N N 65 118.292 120.082 -1.790 1
1 726 . 20 1 1 A 70 70 ASP H H 66 9.110 8.513 0.597 1
1 727 . 20 1 1 A 70 70 ASP HA H 66 5.745 4.563 1.182 1
1 730 . 20 1 1 A 70 70 ASP C C 66 178.777 177.655 1.122 1
1 731 . 20 1 1 A 70 70 ASP CA C 66 57.437 56.582 0.855 1
1 732 . 20 1 1 A 70 70 ASP CB C 66 40.016 39.634 0.382 1
1 733 . 20 1 1 A 70 70 ASP N N 66 123.178 120.032 3.146 1
1 734 . 20 1 1 A 71 71 ASP H H 67 7.301 7.871 -0.570 1
1 735 . 20 1 1 A 71 71 ASP HA H 67 4.362 4.474 -0.112 1
1 738 . 20 1 1 A 71 71 ASP C C 67 177.474 178.819 -1.345 1
1 739 . 20 1 1 A 71 71 ASP CA C 67 57.381 57.339 0.042 1
1 740 . 20 1 1 A 71 71 ASP CB C 67 41.503 40.725 0.778 1
1 741 . 20 1 1 A 71 71 ASP N N 67 119.848 120.589 -0.741 1
1 742 . 20 1 1 A 72 72 LEU H H 68 7.805 7.468 0.337 1
1 743 . 20 1 1 A 72 72 LEU HA H 68 3.822 3.951 -0.129 1
1 753 . 20 1 1 A 72 72 LEU C C 68 177.509 178.856 -1.347 1
1 754 . 20 1 1 A 72 72 LEU CA C 68 58.446 57.929 0.517 1
1 755 . 20 1 1 A 72 72 LEU CB C 68 42.524 40.831 1.693 1
1 757 . 20 1 1 A 72 72 LEU N N 68 121.720 118.205 3.515 1
1 758 . 20 1 1 A 73 73 TYR H H 69 8.229 7.600 0.629 1
1 759 . 20 1 1 A 73 73 TYR HA H 69 3.772 4.278 -0.506 1
1 766 . 20 1 1 A 73 73 TYR C C 69 177.721 178.505 -0.784 1
1 767 . 20 1 1 A 73 73 TYR CA C 69 62.867 60.392 2.475 1
1 768 . 20 1 1 A 73 73 TYR CB C 69 38.215 37.591 0.624 1
1 769 . 20 1 1 A 73 73 TYR N N 69 116.501 119.387 -2.886 1
1 770 . 20 1 1 A 74 74 ALA H H 70 8.275 8.365 -0.090 1
1 771 . 20 1 1 A 74 74 ALA HA H 70 4.286 4.100 0.186 1
1 775 . 20 1 1 A 74 74 ALA C C 70 180.045 179.935 0.110 1
1 776 . 20 1 1 A 74 74 ALA CA C 70 55.701 55.187 0.514 1
1 777 . 20 1 1 A 74 74 ALA CB C 70 17.944 18.334 -0.390 1
1 778 . 20 1 1 A 74 74 ALA N N 70 122.883 122.537 0.346 1
1 779 . 20 1 1 A 75 75 LEU H H 71 7.558 8.261 -0.703 1
1 780 . 20 1 1 A 75 75 LEU HA H 71 3.975 3.870 0.105 1
1 790 . 20 1 1 A 75 75 LEU C C 71 179.024 178.915 0.109 1
1 791 . 20 1 1 A 75 75 LEU CA C 71 57.994 58.196 -0.202 1
1 792 . 20 1 1 A 75 75 LEU CB C 71 42.836 41.579 1.257 1
1 793 . 20 1 1 A 75 75 LEU N N 71 117.133 117.912 -0.779 1
1 794 . 20 1 1 A 76 76 GLU H H 72 7.587 8.342 -0.755 1
1 795 . 20 1 1 A 76 76 GLU HA H 72 4.473 3.898 0.575 1
1 800 . 20 1 1 A 76 76 GLU C C 72 179.270 178.294 0.976 1
1 801 . 20 1 1 A 76 76 GLU CA C 72 58.296 59.965 -1.669 1
1 802 . 20 1 1 A 76 76 GLU CB C 72 28.457 29.190 -0.733 1
1 803 . 20 1 1 A 76 76 GLU N N 72 121.576 119.291 2.285 1
1 804 . 20 1 1 A 77 77 ASN H H 73 8.863 7.880 0.983 1
1 805 . 20 1 1 A 77 77 ASN HA H 73 4.511 4.592 -0.081 1
1 810 . 20 1 1 A 77 77 ASN C C 73 176.664 176.693 -0.029 1
1 811 . 20 1 1 A 77 77 ASN CA C 73 55.944 55.201 0.743 1
1 812 . 20 1 1 A 77 77 ASN CB C 73 38.660 38.607 0.053 1
1 814 . 20 1 1 A 77 77 ASN N N 73 120.232 117.929 2.303 1
1 816 . 20 1 1 A 78 78 LYS H H 74 7.617 7.547 0.070 1
1 817 . 20 1 1 A 78 78 LYS HA H 74 4.426 4.343 0.083 1
1 826 . 20 1 1 A 78 78 LYS C C 74 176.312 176.428 -0.116 1
1 827 . 20 1 1 A 78 78 LYS CA C 74 55.863 56.248 -0.385 1
1 828 . 20 1 1 A 78 78 LYS CB C 74 33.482 33.107 0.375 1
1 829 . 20 1 1 A 78 78 LYS N N 74 115.597 116.583 -0.986 1
1 830 . 20 1 1 A 79 79 GLY H H 75 8.023 7.626 0.397 1
1 831 . 20 1 1 A 79 79 GLY HA2 H 75 4.060 3.988 0.072 1
1 832 . 20 1 1 A 79 79 GLY HA3 H 75 4.060 3.991 0.069 1
1 833 . 20 1 1 A 79 79 GLY C C 75 175.009 175.778 -0.769 1
1 834 . 20 1 1 A 79 79 GLY CA C 75 46.234 45.235 0.999 1
1 835 . 20 1 1 A 79 79 GLY N N 75 109.073 105.753 3.320 1
1 836 . 20 1 1 A 80 80 LYS H H 76 8.091 8.511 -0.420 1
1 837 . 20 1 1 A 80 80 LYS HA H 76 4.422 4.285 0.137 1
1 846 . 20 1 1 A 80 80 LYS C C 76 173.037 178.919 -5.882 1
1 847 . 20 1 1 A 80 80 LYS CA C 76 55.679 56.898 -1.219 1
1 848 . 20 1 1 A 80 80 LYS CB C 76 35.038 32.236 2.802 1
1 849 . 20 1 1 A 80 80 LYS N N 76 116.888 120.795 -3.907 1
1 850 . 20 1 1 A 81 81 LEU H H 77 7.411 7.939 -0.528 1
1 851 . 20 1 1 A 81 81 LEU HA H 77 4.003 3.981 0.022 1
1 861 . 20 1 1 A 81 81 LEU C C 77 177.333 177.796 -0.463 1
1 862 . 20 1 1 A 81 81 LEU CA C 77 57.512 58.100 -0.588 1
1 863 . 20 1 1 A 81 81 LEU CB C 77 40.676 41.747 -1.071 1
1 864 . 20 1 1 A 81 81 LEU N N 77 122.079 118.570 3.509 1
1 865 . 20 1 1 A 82 82 ASP H H 78 8.613 8.553 0.060 1
1 866 . 20 1 1 A 82 82 ASP HA H 78 4.232 4.360 -0.128 1
1 869 . 20 1 1 A 82 82 ASP C C 78 178.354 178.667 -0.313 1
1 870 . 20 1 1 A 82 82 ASP CA C 78 58.438 56.761 1.677 1
1 871 . 20 1 1 A 82 82 ASP CB C 78 39.890 40.417 -0.527 1
1 872 . 20 1 1 A 82 82 ASP N N 78 118.813 120.598 -1.785 1
1 873 . 20 1 1 A 83 83 SER H H 79 7.886 7.579 0.307 1
1 874 . 20 1 1 A 83 83 SER HA H 79 4.164 4.206 -0.042 1
1 877 . 20 1 1 A 83 83 SER C C 79 176.171 177.506 -1.335 1
1 878 . 20 1 1 A 83 83 SER CA C 79 61.285 61.317 -0.032 1
1 879 . 20 1 1 A 83 83 SER CB C 79 62.632 62.922 -0.290 1
1 880 . 20 1 1 A 83 83 SER N N 79 113.338 114.832 -1.494 1
1 881 . 20 1 1 A 84 84 LEU H H 80 7.354 8.071 -0.717 1
1 882 . 20 1 1 A 84 84 LEU HA H 80 4.152 3.916 0.236 1
1 892 . 20 1 1 A 84 84 LEU C C 80 173.671 178.785 -5.114 1
1 893 . 20 1 1 A 84 84 LEU CA C 80 56.841 58.163 -1.322 1
1 894 . 20 1 1 A 84 84 LEU CB C 80 42.682 41.791 0.891 1
1 897 . 20 1 1 A 84 84 LEU N N 80 121.453 121.789 -0.336 1
1 898 . 20 1 1 A 85 85 LEU H H 81 7.655 8.610 -0.955 1
1 899 . 20 1 1 A 85 85 LEU HA H 81 4.113 3.653 0.460 1
1 909 . 20 1 1 A 85 85 LEU C C 81 177.333 179.459 -2.126 1
1 910 . 20 1 1 A 85 85 LEU CA C 81 55.748 58.152 -2.404 1
1 911 . 20 1 1 A 85 85 LEU CB C 81 41.707 41.345 0.362 1
1 914 . 20 1 1 A 85 85 LEU N N 81 115.497 118.323 -2.826 1
1 915 . 20 1 1 A 86 86 GLN H H 82 7.414 8.127 -0.713 1
1 916 . 20 1 1 A 86 86 GLN HA H 82 4.177 4.210 -0.033 1
1 923 . 20 1 1 A 86 86 GLN C C 82 175.537 178.000 -2.463 1
1 924 . 20 1 1 A 86 86 GLN CA C 82 56.986 58.856 -1.870 1
1 925 . 20 1 1 A 86 86 GLN CB C 82 29.187 28.397 0.790 1
1 928 . 20 1 1 A 86 86 GLN N N 82 117.020 117.523 -0.503 1
1 930 . 20 1 1 A 87 87 ASP H H 83 8.092 7.811 0.281 1
1 931 . 20 1 1 A 87 87 ASP HA H 83 4.672 4.547 0.125 1
1 934 . 20 1 1 A 87 87 ASP C C 83 177.263 178.538 -1.275 1
1 935 . 20 1 1 A 87 87 ASP CA C 83 54.394 56.457 -2.063 1
1 936 . 20 1 1 A 87 87 ASP CB C 83 40.722 41.045 -0.323 1
1 937 . 20 1 1 A 87 87 ASP N N 83 119.072 120.237 -1.165 1
1 938 . 20 1 1 A 88 88 VAL H H 84 7.692 8.446 -0.754 1
1 939 . 20 1 1 A 88 88 VAL HA H 84 4.175 3.881 0.294 1
1 947 . 20 1 1 A 88 88 VAL C C 84 174.164 177.893 -3.729 1
1 948 . 20 1 1 A 88 88 VAL CA C 84 62.165 65.498 -3.333 1
1 949 . 20 1 1 A 88 88 VAL CB C 84 32.284 31.396 0.888 1
1 952 . 20 1 1 A 88 88 VAL N N 84 118.778 115.843 2.935 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 74 1.660 1
2 1 1 1 "RMS(OBS, PRED)" CA 87 1.365 1
3 1 1 1 "RMS(OBS, PRED)" CB 74 2.650 1
4 1 1 1 "RMS(OBS, PRED)" H 82 0.715 1
5 1 1 1 "RMS(OBS, PRED)" HA 90 0.400 1
6 1 1 1 "RMS(OBS, PRED)" N 81 3.682 1
7 1 2 1 "RMS(OBS, PRED)" C 74 1.643 1
8 1 2 1 "RMS(OBS, PRED)" CA 87 1.339 1
9 1 2 1 "RMS(OBS, PRED)" CB 74 2.724 1
10 1 2 1 "RMS(OBS, PRED)" H 82 0.699 1
11 1 2 1 "RMS(OBS, PRED)" HA 90 0.387 1
12 1 2 1 "RMS(OBS, PRED)" N 81 3.871 1
13 1 3 1 "RMS(OBS, PRED)" C 74 1.684 1
14 1 3 1 "RMS(OBS, PRED)" CA 87 1.236 1
15 1 3 1 "RMS(OBS, PRED)" CB 74 2.625 1
16 1 3 1 "RMS(OBS, PRED)" H 82 0.691 1
17 1 3 1 "RMS(OBS, PRED)" HA 90 0.397 1
18 1 3 1 "RMS(OBS, PRED)" N 81 3.713 1
19 1 4 1 "RMS(OBS, PRED)" C 74 1.689 1
20 1 4 1 "RMS(OBS, PRED)" CA 87 1.303 1
21 1 4 1 "RMS(OBS, PRED)" CB 74 2.636 1
22 1 4 1 "RMS(OBS, PRED)" H 82 0.672 1
23 1 4 1 "RMS(OBS, PRED)" HA 90 0.405 1
24 1 4 1 "RMS(OBS, PRED)" N 81 4.185 1
25 1 5 1 "RMS(OBS, PRED)" C 74 1.668 1
26 1 5 1 "RMS(OBS, PRED)" CA 87 1.410 1
27 1 5 1 "RMS(OBS, PRED)" CB 74 2.687 1
28 1 5 1 "RMS(OBS, PRED)" H 82 0.672 1
29 1 5 1 "RMS(OBS, PRED)" HA 90 0.437 1
30 1 5 1 "RMS(OBS, PRED)" N 81 4.058 1
31 1 6 1 "RMS(OBS, PRED)" C 74 1.632 1
32 1 6 1 "RMS(OBS, PRED)" CA 87 1.340 1
33 1 6 1 "RMS(OBS, PRED)" CB 74 2.682 1
34 1 6 1 "RMS(OBS, PRED)" H 82 0.660 1
35 1 6 1 "RMS(OBS, PRED)" HA 90 0.394 1
36 1 6 1 "RMS(OBS, PRED)" N 81 3.581 1
37 1 7 1 "RMS(OBS, PRED)" C 74 1.635 1
38 1 7 1 "RMS(OBS, PRED)" CA 87 1.336 1
39 1 7 1 "RMS(OBS, PRED)" CB 74 2.708 1
40 1 7 1 "RMS(OBS, PRED)" H 82 0.696 1
41 1 7 1 "RMS(OBS, PRED)" HA 90 0.390 1
42 1 7 1 "RMS(OBS, PRED)" N 81 3.661 1
43 1 8 1 "RMS(OBS, PRED)" C 74 1.593 1
44 1 8 1 "RMS(OBS, PRED)" CA 87 1.358 1
45 1 8 1 "RMS(OBS, PRED)" CB 74 2.636 1
46 1 8 1 "RMS(OBS, PRED)" H 82 0.711 1
47 1 8 1 "RMS(OBS, PRED)" HA 90 0.424 1
48 1 8 1 "RMS(OBS, PRED)" N 81 4.155 1
49 1 9 1 "RMS(OBS, PRED)" C 74 1.607 1
50 1 9 1 "RMS(OBS, PRED)" CA 87 1.323 1
51 1 9 1 "RMS(OBS, PRED)" CB 74 2.668 1
52 1 9 1 "RMS(OBS, PRED)" H 82 0.662 1
53 1 9 1 "RMS(OBS, PRED)" HA 90 0.401 1
54 1 9 1 "RMS(OBS, PRED)" N 81 3.923 1
55 1 10 1 "RMS(OBS, PRED)" C 74 1.660 1
56 1 10 1 "RMS(OBS, PRED)" CA 87 1.323 1
57 1 10 1 "RMS(OBS, PRED)" CB 74 2.638 1
58 1 10 1 "RMS(OBS, PRED)" H 82 0.699 1
59 1 10 1 "RMS(OBS, PRED)" HA 90 0.397 1
60 1 10 1 "RMS(OBS, PRED)" N 81 3.551 1
61 1 11 1 "RMS(OBS, PRED)" C 74 1.660 1
62 1 11 1 "RMS(OBS, PRED)" CA 87 1.290 1
63 1 11 1 "RMS(OBS, PRED)" CB 74 2.604 1
64 1 11 1 "RMS(OBS, PRED)" H 82 0.683 1
65 1 11 1 "RMS(OBS, PRED)" HA 90 0.367 1
66 1 11 1 "RMS(OBS, PRED)" N 81 3.660 1
67 1 12 1 "RMS(OBS, PRED)" C 74 1.624 1
68 1 12 1 "RMS(OBS, PRED)" CA 87 1.415 1
69 1 12 1 "RMS(OBS, PRED)" CB 74 2.701 1
70 1 12 1 "RMS(OBS, PRED)" H 82 0.705 1
71 1 12 1 "RMS(OBS, PRED)" HA 90 0.404 1
72 1 12 1 "RMS(OBS, PRED)" N 81 3.997 1
73 1 13 1 "RMS(OBS, PRED)" C 74 1.573 1
74 1 13 1 "RMS(OBS, PRED)" CA 87 1.395 1
75 1 13 1 "RMS(OBS, PRED)" CB 74 2.526 1
76 1 13 1 "RMS(OBS, PRED)" H 82 0.680 1
77 1 13 1 "RMS(OBS, PRED)" HA 90 0.401 1
78 1 13 1 "RMS(OBS, PRED)" N 81 3.790 1
79 1 14 1 "RMS(OBS, PRED)" C 74 1.660 1
80 1 14 1 "RMS(OBS, PRED)" CA 87 1.312 1
81 1 14 1 "RMS(OBS, PRED)" CB 74 2.751 1
82 1 14 1 "RMS(OBS, PRED)" H 82 0.699 1
83 1 14 1 "RMS(OBS, PRED)" HA 90 0.395 1
84 1 14 1 "RMS(OBS, PRED)" N 81 3.602 1
85 1 15 1 "RMS(OBS, PRED)" C 74 1.598 1
86 1 15 1 "RMS(OBS, PRED)" CA 87 1.327 1
87 1 15 1 "RMS(OBS, PRED)" CB 74 2.628 1
88 1 15 1 "RMS(OBS, PRED)" H 82 0.645 1
89 1 15 1 "RMS(OBS, PRED)" HA 90 0.410 1
90 1 15 1 "RMS(OBS, PRED)" N 81 4.060 1
91 1 16 1 "RMS(OBS, PRED)" C 74 1.647 1
92 1 16 1 "RMS(OBS, PRED)" CA 87 1.334 1
93 1 16 1 "RMS(OBS, PRED)" CB 74 2.563 1
94 1 16 1 "RMS(OBS, PRED)" H 82 0.719 1
95 1 16 1 "RMS(OBS, PRED)" HA 90 0.396 1
96 1 16 1 "RMS(OBS, PRED)" N 81 4.042 1
97 1 17 1 "RMS(OBS, PRED)" C 74 1.635 1
98 1 17 1 "RMS(OBS, PRED)" CA 87 1.317 1
99 1 17 1 "RMS(OBS, PRED)" CB 74 2.790 1
100 1 17 1 "RMS(OBS, PRED)" H 82 0.720 1
101 1 17 1 "RMS(OBS, PRED)" HA 90 0.409 1
102 1 17 1 "RMS(OBS, PRED)" N 81 3.708 1
103 1 18 1 "RMS(OBS, PRED)" C 74 1.595 1
104 1 18 1 "RMS(OBS, PRED)" CA 87 1.368 1
105 1 18 1 "RMS(OBS, PRED)" CB 74 2.609 1
106 1 18 1 "RMS(OBS, PRED)" H 82 0.675 1
107 1 18 1 "RMS(OBS, PRED)" HA 90 0.414 1
108 1 18 1 "RMS(OBS, PRED)" N 81 3.763 1
109 1 19 1 "RMS(OBS, PRED)" C 74 1.693 1
110 1 19 1 "RMS(OBS, PRED)" CA 87 1.281 1
111 1 19 1 "RMS(OBS, PRED)" CB 74 2.679 1
112 1 19 1 "RMS(OBS, PRED)" H 82 0.700 1
113 1 19 1 "RMS(OBS, PRED)" HA 90 0.392 1
114 1 19 1 "RMS(OBS, PRED)" N 81 4.124 1
115 1 20 1 "RMS(OBS, PRED)" C 74 1.737 1
116 1 20 1 "RMS(OBS, PRED)" CA 87 1.362 1
117 1 20 1 "RMS(OBS, PRED)" CB 74 2.595 1
118 1 20 1 "RMS(OBS, PRED)" H 82 0.666 1
119 1 20 1 "RMS(OBS, PRED)" HA 90 0.390 1
120 1 20 1 "RMS(OBS, PRED)" N 81 3.632 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 1 . 1 1 A 2 2 PRO C C -2 177.005 176.361 0.644 2
1 2 . 1 1 A 2 2 PRO CA C -2 63.481 62.778 0.703 2
1 3 . 1 1 A 2 2 PRO CB C -2 32.244 32.452 -0.208 2
1 4 . 1 1 A 3 3 GLY H H -1 8.665 8.269 0.396 2
1 5 . 1 1 A 3 3 GLY HA2 H -1 3.985 4.149 -0.164 2
1 6 . 1 1 A 3 3 GLY HA3 H -1 3.985 4.159 -0.174 2
1 7 . 1 1 A 3 3 GLY C C -1 173.706 172.436 1.270 2
1 8 . 1 1 A 3 3 GLY CA C -1 45.291 45.408 -0.117 2
1 9 . 1 1 A 3 3 GLY N N -1 109.788 108.641 1.147 2
1 10 . 1 1 A 4 4 SER H H 0 8.190 8.589 -0.399 2
1 11 . 1 1 A 4 4 SER HA H 0 4.477 5.075 -0.598 2
1 14 . 1 1 A 4 4 SER C C 0 175.738 173.232 2.506 2
1 15 . 1 1 A 4 4 SER CA C 0 58.322 57.405 0.917 2
1 16 . 1 1 A 4 4 SER CB C 0 63.927 65.098 -1.171 2
1 17 . 1 1 A 4 4 SER N N 0 115.613 116.947 -1.334 2
1 18 . 1 1 A 5 5 MET H H 1 8.458 8.759 -0.301 2
1 19 . 1 1 A 5 5 MET HA H 1 4.320 5.045 -0.725 2
1 27 . 1 1 A 5 5 MET C C 1 173.977 175.182 -1.205 2
1 28 . 1 1 A 5 5 MET CA C 1 56.011 54.495 1.516 2
1 29 . 1 1 A 5 5 MET CB C 1 33.797 35.182 -1.385 2
1 30 . 1 1 A 5 5 MET N N 1 122.334 123.296 -0.962 2
1 31 . 1 1 A 6 6 LYS H H 2 8.445 8.370 0.075 2
1 32 . 1 1 A 6 6 LYS HA H 2 4.566 4.784 -0.218 2
1 39 . 1 1 A 6 6 LYS C C 2 174.575 175.549 -0.974 2
1 40 . 1 1 A 6 6 LYS CA C 2 55.887 55.130 0.757 2
1 41 . 1 1 A 6 6 LYS CB C 2 33.848 35.118 -1.270 2
1 42 . 1 1 A 6 6 LYS N N 2 122.229 121.479 0.750 2
1 43 . 1 1 A 7 7 GLU H H 3 8.324 9.008 -0.684 2
1 44 . 1 1 A 7 7 GLU HA H 3 4.440 5.079 -0.639 2
1 49 . 1 1 A 7 7 GLU C C 3 175.491 174.022 1.469 2
1 50 . 1 1 A 7 7 GLU CA C 3 55.680 54.657 1.023 2
1 51 . 1 1 A 7 7 GLU CB C 3 31.513 33.450 -1.938 2
1 52 . 1 1 A 7 7 GLU N N 3 121.539 118.454 3.085 2
1 53 . 1 1 A 8 8 ILE H H 4 9.014 8.935 0.079 2
1 54 . 1 1 A 8 8 ILE HA H 4 5.025 5.121 -0.096 2
1 64 . 1 1 A 8 8 ILE C C 4 174.199 173.916 0.283 2
1 65 . 1 1 A 8 8 ILE CA C 4 60.927 59.693 1.234 2
1 66 . 1 1 A 8 8 ILE CB C 4 38.759 41.034 -2.275 2
1 69 . 1 1 A 8 8 ILE N N 4 127.255 123.897 3.359 2
1 70 . 1 1 A 9 9 ILE H H 5 9.104 9.265 -0.161 2
1 71 . 1 1 A 9 9 ILE HA H 5 4.900 4.935 -0.035 2
1 81 . 1 1 A 9 9 ILE C C 5 173.906 175.114 -1.208 2
1 82 . 1 1 A 9 9 ILE CA C 5 59.727 59.743 -0.016 2
1 83 . 1 1 A 9 9 ILE CB C 5 41.627 41.671 -0.044 2
1 87 . 1 1 A 9 9 ILE N N 5 128.326 128.846 -0.520 2
1 88 . 1 1 A 10 10 LEU H H 6 8.891 8.989 -0.098 2
1 89 . 1 1 A 10 10 LEU HA H 6 5.157 5.215 -0.058 2
1 96 . 1 1 A 10 10 LEU CA C 6 54.076 53.426 0.650 2
1 97 . 1 1 A 10 10 LEU CB C 6 44.892 43.964 0.928 2
1 100 . 1 1 A 10 10 LEU N N 6 125.779 125.617 0.162 2
1 101 . 1 1 A 11 11 TYR H H 7 9.099 9.121 -0.022 2
1 102 . 1 1 A 11 11 TYR HA H 7 4.336 5.276 -0.940 2
1 109 . 1 1 A 11 11 TYR C C 7 177.041 175.440 1.601 2
1 110 . 1 1 A 11 11 TYR CA C 7 57.379 56.706 0.673 2
1 111 . 1 1 A 11 11 TYR CB C 7 40.345 39.713 0.632 2
1 112 . 1 1 A 12 12 THR H H 8 9.286 8.631 0.655 2
1 113 . 1 1 A 12 12 THR HA H 8 5.105 5.002 0.103 2
1 118 . 1 1 A 12 12 THR C C 8 172.005 173.118 -1.113 2
1 119 . 1 1 A 12 12 THR CA C 8 60.604 61.000 -0.396 2
1 120 . 1 1 A 12 12 THR CB C 8 73.108 70.791 2.317 2
1 122 . 1 1 A 12 12 THR N N 8 111.938 114.838 -2.900 2
1 123 . 1 1 A 13 13 ARG H H 9 7.513 8.488 -0.975 2
1 124 . 1 1 A 13 13 ARG HA H 9 4.826 4.811 0.015 2
1 131 . 1 1 A 13 13 ARG CA C 9 52.836 54.194 -1.358 2
1 132 . 1 1 A 13 13 ARG CB C 9 31.436 30.993 0.443 2
1 133 . 1 1 A 13 13 ARG N N 9 114.036 120.779 -6.743 2
1 134 . 1 1 A 14 14 PRO HA H 10 4.294 4.483 -0.189 2
1 141 . 1 1 A 14 14 PRO C C 10 176.477 176.836 -0.359 2
1 142 . 1 1 A 14 14 PRO CA C 10 63.464 63.973 -0.509 2
1 143 . 1 1 A 14 14 PRO CB C 10 32.615 31.867 0.748 2
1 144 . 1 1 A 15 15 ASN H H 11 8.987 8.473 0.514 2
1 145 . 1 1 A 15 15 ASN HA H 11 4.240 4.750 -0.510 2
1 150 . 1 1 A 15 15 ASN C C 11 176.266 174.206 2.060 2
1 151 . 1 1 A 15 15 ASN CA C 11 54.464 53.150 1.314 2
1 152 . 1 1 A 15 15 ASN CB C 11 37.500 37.876 -0.376 2
1 154 . 1 1 A 15 15 ASN N N 11 115.463 115.180 0.283 2
1 156 . 1 1 A 16 16 CYS H H 12 7.324 7.808 -0.484 2
1 157 . 1 1 A 16 16 CYS HA H 12 4.931 4.815 0.116 2
1 160 . 1 1 A 16 16 CYS CA C 12 56.277 56.667 -0.390 2
1 161 . 1 1 A 16 16 CYS N N 12 123.174 118.040 5.134 2
1 162 . 1 1 A 17 17 PRO C C 13 178.555 177.264 1.291 2
1 163 . 1 1 A 17 17 PRO CA C 13 64.409 64.536 -0.127 2
1 164 . 1 1 A 17 17 PRO CB C 13 33.538 31.757 1.781 2
1 165 . 1 1 A 18 18 TYR H H 14 9.325 7.893 1.432 2
1 166 . 1 1 A 18 18 TYR HA H 14 4.404 4.380 0.024 2
1 173 . 1 1 A 18 18 TYR CA C 14 60.921 60.205 0.716 2
1 174 . 1 1 A 18 18 TYR N N 14 127.149 116.065 11.084 2
1 175 . 1 1 A 19 19 CYS H H 15 9.687 8.071 1.616 2
1 176 . 1 1 A 19 19 CYS HA H 15 4.725 4.210 0.515 2
1 177 . 1 1 A 19 19 CYS C C 15 174.998 177.150 -2.152 2
1 178 . 1 1 A 19 19 CYS CA C 15 64.573 62.163 2.410 2
1 179 . 1 1 A 19 19 CYS CB C 15 29.227 26.890 2.337 2
1 180 . 1 1 A 19 19 CYS N N 15 127.652 119.074 8.578 2
1 181 . 1 1 A 20 20 LYS H H 16 7.706 8.098 -0.392 2
1 182 . 1 1 A 20 20 LYS HA H 16 3.946 3.964 -0.018 2
1 191 . 1 1 A 20 20 LYS C C 16 177.252 179.191 -1.939 2
1 192 . 1 1 A 20 20 LYS CA C 16 59.857 59.738 0.119 2
1 193 . 1 1 A 20 20 LYS CB C 16 32.542 32.286 0.256 2
1 194 . 1 1 A 20 20 LYS N N 16 119.200 120.566 -1.366 2
1 195 . 1 1 A 21 21 ARG H H 17 7.839 8.003 -0.164 2
1 196 . 1 1 A 21 21 ARG HA H 17 4.176 4.077 0.099 2
1 203 . 1 1 A 21 21 ARG C C 17 179.858 178.978 0.880 2
1 204 . 1 1 A 21 21 ARG CA C 17 59.647 59.166 0.481 2
1 205 . 1 1 A 21 21 ARG CB C 17 30.340 30.009 0.331 2
1 206 . 1 1 A 21 21 ARG N N 17 117.964 119.751 -1.787 2
1 207 . 1 1 A 22 22 ALA H H 18 8.084 8.164 -0.080 2
1 208 . 1 1 A 22 22 ALA HA H 18 4.168 4.175 -0.007 2
1 212 . 1 1 A 22 22 ALA C C 18 177.322 179.538 -2.216 2
1 213 . 1 1 A 22 22 ALA CA C 18 55.859 55.391 0.468 2
1 214 . 1 1 A 22 22 ALA CB C 18 19.047 18.269 0.778 2
1 215 . 1 1 A 22 22 ALA N N 18 124.839 121.791 3.048 2
1 216 . 1 1 A 23 23 ARG H H 19 7.811 8.106 -0.295 2
1 217 . 1 1 A 23 23 ARG HA H 19 3.320 3.559 -0.239 2
1 224 . 1 1 A 23 23 ARG C C 19 177.217 178.025 -0.808 2
1 225 . 1 1 A 23 23 ARG CA C 19 60.780 58.736 2.045 2
1 226 . 1 1 A 23 23 ARG CB C 19 30.828 29.852 0.976 2
1 227 . 1 1 A 23 23 ARG N N 19 116.980 117.188 -0.208 2
1 228 . 1 1 A 24 24 ASP H H 20 8.710 8.018 0.692 2
1 229 . 1 1 A 24 24 ASP HA H 20 4.299 4.423 -0.124 2
1 232 . 1 1 A 24 24 ASP C C 20 178.625 178.349 0.276 2
1 233 . 1 1 A 24 24 ASP CA C 20 57.477 57.304 0.173 2
1 234 . 1 1 A 24 24 ASP CB C 20 40.551 41.227 -0.676 2
1 235 . 1 1 A 24 24 ASP N N 20 116.717 120.037 -3.320 2
1 236 . 1 1 A 25 25 LEU H H 21 7.114 7.968 -0.854 2
1 237 . 1 1 A 25 25 LEU HA H 21 4.131 4.066 0.065 2
1 246 . 1 1 A 25 25 LEU C C 21 177.580 178.500 -0.921 2
1 247 . 1 1 A 25 25 LEU CA C 21 57.857 58.413 -0.556 2
1 248 . 1 1 A 25 25 LEU CB C 21 41.654 41.736 -0.082 2
1 251 . 1 1 A 25 25 LEU N N 21 119.808 120.735 -0.927 2
1 252 . 1 1 A 26 26 LEU H H 22 7.294 8.137 -0.843 2
1 253 . 1 1 A 26 26 LEU HA H 22 3.767 3.880 -0.113 2
1 262 . 1 1 A 26 26 LEU C C 22 178.696 178.674 0.022 2
1 263 . 1 1 A 26 26 LEU CA C 22 58.107 58.173 -0.066 2
1 264 . 1 1 A 26 26 LEU CB C 22 40.750 41.702 -0.952 2
1 267 . 1 1 A 26 26 LEU N N 22 117.901 118.938 -1.037 2
1 268 . 1 1 A 27 27 ASP H H 23 9.446 8.383 1.063 2
1 269 . 1 1 A 27 27 ASP HA H 23 4.608 4.474 0.134 2
1 272 . 1 1 A 27 27 ASP C C 23 180.104 178.601 1.503 2
1 273 . 1 1 A 27 27 ASP CA C 23 57.406 57.552 -0.146 2
1 274 . 1 1 A 27 27 ASP CB C 23 39.839 41.972 -2.134 2
1 275 . 1 1 A 27 27 ASP N N 23 119.946 118.780 1.166 2
1 276 . 1 1 A 28 28 LYS H H 24 7.915 8.071 -0.156 2
1 277 . 1 1 A 28 28 LYS HA H 24 4.079 4.064 0.015 2
1 286 . 1 1 A 28 28 LYS C C 24 178.414 179.261 -0.847 2
1 287 . 1 1 A 28 28 LYS CA C 24 59.295 59.338 -0.043 2
1 288 . 1 1 A 28 28 LYS CB C 24 32.342 32.269 0.073 2
1 289 . 1 1 A 28 28 LYS N N 24 122.484 119.311 3.173 2
1 290 . 1 1 A 29 29 LYS H H 25 7.763 7.644 0.119 2
1 291 . 1 1 A 29 29 LYS HA H 25 4.195 4.201 -0.006 2
1 300 . 1 1 A 29 29 LYS C C 25 176.583 177.100 -0.517 2
1 301 . 1 1 A 29 29 LYS CA C 25 56.122 56.718 -0.596 2
1 302 . 1 1 A 29 29 LYS CB C 25 32.771 32.830 -0.059 2
1 303 . 1 1 A 29 29 LYS N N 25 116.683 116.286 0.397 2
1 304 . 1 1 A 30 30 GLY H H 26 7.961 8.125 -0.164 2
1 305 . 1 1 A 30 30 GLY HA2 H 26 4.005 4.006 -0.001 2
1 306 . 1 1 A 30 30 GLY HA3 H 26 3.894 4.015 -0.121 2
1 307 . 1 1 A 30 30 GLY C C 26 174.223 173.929 0.294 2
1 308 . 1 1 A 30 30 GLY CA C 26 46.265 46.335 -0.070 2
1 309 . 1 1 A 30 30 GLY N N 26 108.209 107.030 1.179 2
1 310 . 1 1 A 31 31 VAL H H 27 7.440 7.339 0.101 2
1 311 . 1 1 A 31 31 VAL HA H 27 4.355 4.886 -0.531 2
1 319 . 1 1 A 31 31 VAL C C 27 174.294 174.392 -0.098 2
1 320 . 1 1 A 31 31 VAL CA C 27 60.115 59.263 0.852 2
1 321 . 1 1 A 31 31 VAL CB C 27 33.737 35.977 -2.240 2
1 323 . 1 1 A 31 31 VAL N N 27 114.927 114.425 0.502 2
1 324 . 1 1 A 32 32 LYS H H 28 8.408 8.622 -0.214 2
1 325 . 1 1 A 32 32 LYS HA H 28 4.268 4.848 -0.580 2
1 334 . 1 1 A 32 32 LYS C C 28 175.385 175.399 -0.014 2
1 335 . 1 1 A 32 32 LYS CA C 28 55.441 54.950 0.491 2
1 336 . 1 1 A 32 32 LYS CB C 28 33.269 33.596 -0.327 2
1 337 . 1 1 A 32 32 LYS N N 28 124.540 120.953 3.587 2
1 338 . 1 1 A 33 33 TYR H H 29 7.451 8.735 -1.284 2
1 339 . 1 1 A 33 33 TYR HA H 29 5.149 5.640 -0.491 2
1 346 . 1 1 A 33 33 TYR C C 29 173.730 174.877 -1.147 2
1 347 . 1 1 A 33 33 TYR CA C 29 57.198 55.758 1.440 2
1 348 . 1 1 A 33 33 TYR CB C 29 41.499 41.065 0.434 2
1 353 . 1 1 A 33 33 TYR N N 29 117.090 123.429 -6.339 2
1 354 . 1 1 A 34 34 THR H H 30 9.106 8.978 0.128 2
1 355 . 1 1 A 34 34 THR HA H 30 4.368 4.862 -0.494 2
1 360 . 1 1 A 34 34 THR C C 30 171.336 173.051 -1.715 2
1 361 . 1 1 A 34 34 THR CA C 30 62.096 61.608 0.488 2
1 362 . 1 1 A 34 34 THR CB C 30 70.603 69.801 0.802 2
1 364 . 1 1 A 34 34 THR N N 30 119.343 117.159 2.184 2
1 365 . 1 1 A 35 35 ASP H H 31 8.772 9.022 -0.250 2
1 366 . 1 1 A 35 35 ASP HA H 31 5.283 5.023 0.260 2
1 369 . 1 1 A 35 35 ASP C C 31 175.245 174.936 0.309 2
1 370 . 1 1 A 35 35 ASP CA C 31 52.549 53.551 -1.002 2
1 371 . 1 1 A 35 35 ASP CB C 31 42.286 42.024 0.262 2
1 372 . 1 1 A 35 35 ASP N N 31 129.184 127.257 1.927 2
1 373 . 1 1 A 36 36 ILE H H 32 9.283 9.051 0.232 2
1 374 . 1 1 A 36 36 ILE HA H 32 4.081 4.466 -0.385 2
1 384 . 1 1 A 36 36 ILE C C 32 175.854 175.361 0.493 2
1 385 . 1 1 A 36 36 ILE CA C 32 60.226 60.280 -0.054 2
1 386 . 1 1 A 36 36 ILE CB C 32 39.998 39.062 0.936 2
1 388 . 1 1 A 36 36 ILE N N 32 129.240 126.616 2.624 2
1 389 . 1 1 A 37 37 ASP H H 33 8.298 8.793 -0.495 2
1 390 . 1 1 A 37 37 ASP HA H 33 4.648 4.579 0.069 2
1 393 . 1 1 A 37 37 ASP CA C 33 54.101 54.767 -0.666 2
1 394 . 1 1 A 37 37 ASP CB C 33 40.536 41.404 -0.868 2
1 395 . 1 1 A 37 37 ASP N N 33 125.570 128.074 -2.504 2
1 396 . 1 1 A 38 38 ALA H H 34 9.840 8.727 1.113 2
1 397 . 1 1 A 38 38 ALA HA H 34 4.620 4.085 0.535 2
1 401 . 1 1 A 38 38 ALA C C 34 175.185 178.041 -2.856 2
1 402 . 1 1 A 38 38 ALA CA C 34 51.239 54.706 -3.467 2
1 403 . 1 1 A 38 38 ALA CB C 34 20.627 18.442 2.185 2
1 404 . 1 1 A 38 38 ALA N N 34 134.980 125.164 9.816 2
1 405 . 1 1 A 39 39 SER H H 35 8.679 7.614 1.065 2
1 406 . 1 1 A 39 39 SER HA H 35 4.189 4.326 -0.137 2
1 409 . 1 1 A 39 39 SER C C 35 175.713 175.863 -0.150 2
1 410 . 1 1 A 39 39 SER CA C 35 60.956 59.452 1.504 2
1 411 . 1 1 A 39 39 SER CB C 35 64.425 63.779 0.646 2
1 412 . 1 1 A 39 39 SER N N 35 111.865 114.932 -3.067 2
1 413 . 1 1 A 40 40 THR H H 36 8.438 8.713 -0.275 2
1 414 . 1 1 A 40 40 THR HA H 36 4.672 3.983 0.689 2
1 419 . 1 1 A 40 40 THR CA C 36 59.859 65.251 -5.392 2
1 421 . 1 1 A 40 40 THR N N 36 114.335 120.694 -6.359 2
1 422 . 1 1 A 41 41 SER C C 37 174.129 175.657 -1.528 2
1 423 . 1 1 A 41 41 SER CA C 37 60.964 61.714 -0.750 2
1 424 . 1 1 A 41 41 SER CB C 37 63.605 62.931 0.674 2
1 425 . 1 1 A 42 42 LEU H H 38 8.643 7.728 0.915 2
1 426 . 1 1 A 42 42 LEU HA H 38 4.679 4.458 0.221 2
1 436 . 1 1 A 42 42 LEU C C 38 176.347 177.950 -1.603 2
1 437 . 1 1 A 42 42 LEU CA C 38 54.842 55.687 -0.845 2
1 438 . 1 1 A 42 42 LEU CB C 38 41.117 43.858 -2.741 2
1 439 . 1 1 A 42 42 LEU N N 38 121.245 119.276 1.969 2
1 440 . 1 1 A 43 43 ARG H H 39 7.583 8.464 -0.881 2
1 441 . 1 1 A 43 43 ARG HA H 39 4.173 4.009 0.164 2
1 448 . 1 1 A 43 43 ARG C C 39 175.925 178.312 -2.387 2
1 449 . 1 1 A 43 43 ARG CA C 39 60.907 59.769 1.138 2
1 450 . 1 1 A 43 43 ARG N N 39 123.341 120.555 2.786 2
1 451 . 1 1 A 44 44 GLN H H 40 8.203 8.073 0.130 2
1 452 . 1 1 A 44 44 GLN HA H 40 3.974 3.968 0.006 2
1 459 . 1 1 A 44 44 GLN C C 40 175.608 178.311 -2.703 2
1 460 . 1 1 A 44 44 GLN CA C 40 58.622 59.157 -0.535 2
1 461 . 1 1 A 44 44 GLN CB C 40 28.591 28.240 0.351 2
1 464 . 1 1 A 44 44 GLN N N 40 114.940 118.448 -3.508 2
1 466 . 1 1 A 45 45 GLU H H 41 7.616 8.052 -0.436 2
1 467 . 1 1 A 45 45 GLU HA H 41 3.947 4.075 -0.128 2
1 472 . 1 1 A 45 45 GLU CA C 41 59.009 59.351 -0.342 2
1 473 . 1 1 A 45 45 GLU CB C 41 30.110 29.598 0.512 2
1 474 . 1 1 A 45 45 GLU N N 41 120.916 119.243 1.673 2
1 475 . 1 1 A 46 46 MET H H 42 7.474 8.173 -0.699 2
1 476 . 1 1 A 46 46 MET HA H 42 4.778 4.188 0.590 2
1 483 . 1 1 A 46 46 MET C C 42 176.347 178.201 -1.854 2
1 484 . 1 1 A 46 46 MET CA C 42 59.567 58.239 1.328 2
1 485 . 1 1 A 46 46 MET CB C 42 30.294 32.944 -2.650 2
1 487 . 1 1 A 46 46 MET N N 42 118.736 119.411 -0.675 2
1 488 . 1 1 A 47 47 VAL H H 43 8.006 8.544 -0.538 2
1 489 . 1 1 A 47 47 VAL HA H 43 3.624 3.394 0.230 2
1 497 . 1 1 A 47 47 VAL C C 43 176.911 177.286 -0.375 2
1 498 . 1 1 A 47 47 VAL CA C 43 65.362 65.049 0.313 2
1 499 . 1 1 A 47 47 VAL CB C 43 31.859 30.556 1.303 2
1 501 . 1 1 A 47 47 VAL N N 43 116.804 118.779 -1.975 2
1 502 . 1 1 A 48 48 GLN H H 44 7.935 7.917 0.018 2
1 503 . 1 1 A 48 48 GLN HA H 44 3.972 3.973 -0.001 2
1 510 . 1 1 A 48 48 GLN C C 44 178.636 178.300 0.336 2
1 511 . 1 1 A 48 48 GLN CA C 44 58.472 58.908 -0.436 2
1 512 . 1 1 A 48 48 GLN CB C 44 30.542 28.266 2.276 2
1 513 . 1 1 A 48 48 GLN N N 44 117.704 120.799 -3.095 2
1 515 . 1 1 A 49 49 ARG H H 45 8.100 7.980 0.120 2
1 516 . 1 1 A 49 49 ARG HA H 45 3.906 4.097 -0.191 2
1 521 . 1 1 A 49 49 ARG CA C 45 59.397 58.506 0.891 2
1 522 . 1 1 A 49 49 ARG CB C 45 29.993 29.936 0.057 2
1 523 . 1 1 A 49 49 ARG N N 45 120.984 119.719 1.265 2
1 524 . 1 1 A 50 50 ALA H H 46 8.279 7.521 0.758 2
1 525 . 1 1 A 50 50 ALA HA H 46 3.782 4.186 -0.404 2
1 529 . 1 1 A 50 50 ALA C C 46 178.073 178.854 -0.781 2
1 530 . 1 1 A 50 50 ALA CA C 46 51.408 54.181 -2.773 2
1 531 . 1 1 A 50 50 ALA CB C 46 18.883 18.741 0.142 2
1 532 . 1 1 A 50 50 ALA N N 46 118.254 121.982 -3.728 2
1 533 . 1 1 A 51 51 ASN H H 47 7.706 8.084 -0.378 2
1 534 . 1 1 A 51 51 ASN HA H 47 4.420 5.099 -0.679 2
1 539 . 1 1 A 51 51 ASN C C 47 174.974 175.812 -0.838 2
1 540 . 1 1 A 51 51 ASN CA C 47 54.303 53.561 0.742 2
1 541 . 1 1 A 51 51 ASN CB C 47 37.804 40.609 -2.805 2
1 543 . 1 1 A 51 51 ASN N N 47 115.277 112.779 2.498 2
1 545 . 1 1 A 52 52 GLY H H 48 8.702 7.870 0.832 2
1 546 . 1 1 A 52 52 GLY HA2 H 48 4.267 4.024 0.243 2
1 547 . 1 1 A 52 52 GLY HA3 H 48 3.379 4.033 -0.654 2
1 548 . 1 1 A 52 52 GLY CA C 48 45.176 45.524 -0.348 2
1 549 . 1 1 A 52 52 GLY N N 48 104.035 107.827 -3.792 2
1 550 . 1 1 A 53 53 ARG H H 49 7.116 7.852 -0.736 2
1 551 . 1 1 A 53 53 ARG HA H 49 4.144 4.691 -0.547 2
1 558 . 1 1 A 53 53 ARG C C 49 176.101 174.151 1.950 2
1 559 . 1 1 A 53 53 ARG CA C 49 57.285 55.500 1.785 2
1 560 . 1 1 A 53 53 ARG N N 49 121.384 120.038 1.346 2
1 561 . 1 1 A 54 54 ASN H H 50 7.958 8.691 -0.733 2
1 562 . 1 1 A 54 54 ASN HA H 50 4.589 5.136 -0.547 2
1 567 . 1 1 A 54 54 ASN CA C 50 51.568 52.641 -1.073 2
1 568 . 1 1 A 54 54 ASN CB C 50 38.018 41.345 -3.327 2
1 570 . 1 1 A 54 54 ASN N N 50 116.546 122.064 -5.518 2
1 572 . 1 1 A 55 55 THR H H 51 6.818 8.603 -1.785 2
1 573 . 1 1 A 55 55 THR HA H 51 4.283 4.658 -0.375 2
1 578 . 1 1 A 55 55 THR C C 51 172.509 172.956 -0.447 2
1 579 . 1 1 A 55 55 THR CA C 51 59.829 60.849 -1.020 2
1 580 . 1 1 A 55 55 THR CB C 51 70.400 70.142 0.258 2
1 582 . 1 1 A 55 55 THR N N 51 108.070 115.814 -7.744 2
1 583 . 1 1 A 56 56 PHE H H 52 8.444 7.859 0.585 2
1 584 . 1 1 A 56 56 PHE HA H 52 4.730 4.843 -0.113 2
1 592 . 1 1 A 56 56 PHE CA C 52 55.529 55.903 -0.374 2
1 593 . 1 1 A 56 56 PHE N N 52 116.926 121.546 -4.620 2
1 594 . 1 1 A 57 57 PRO CA C 53 62.827 63.050 -0.224 2
1 595 . 1 1 A 57 57 PRO CB C 53 35.258 32.869 2.389 2
1 596 . 1 1 A 58 58 GLN H H 54 8.070 8.543 -0.473 2
1 597 . 1 1 A 58 58 GLN HA H 54 4.853 4.972 -0.119 2
1 604 . 1 1 A 58 58 GLN C C 54 175.291 173.176 2.115 2
1 605 . 1 1 A 58 58 GLN CA C 54 55.071 55.107 -0.036 2
1 606 . 1 1 A 58 58 GLN CB C 54 32.237 31.044 1.193 2
1 607 . 1 1 A 58 58 GLN N N 54 113.697 116.708 -3.011 2
1 609 . 1 1 A 59 59 ILE H H 55 8.753 8.729 0.024 2
1 610 . 1 1 A 59 59 ILE HA H 55 5.089 4.785 0.304 2
1 620 . 1 1 A 59 59 ILE C C 55 174.164 175.141 -0.977 2
1 621 . 1 1 A 59 59 ILE CA C 55 61.194 60.472 0.722 2
1 622 . 1 1 A 59 59 ILE CB C 55 40.657 39.246 1.411 2
1 625 . 1 1 A 59 59 ILE N N 55 122.202 121.550 0.652 2
1 626 . 1 1 A 60 60 PHE H H 56 9.564 9.412 0.152 2
1 627 . 1 1 A 60 60 PHE HA H 56 5.390 5.203 0.187 2
1 635 . 1 1 A 60 60 PHE C C 56 174.305 175.347 -1.042 2
1 636 . 1 1 A 60 60 PHE CA C 56 56.614 57.371 -0.757 2
1 637 . 1 1 A 60 60 PHE CB C 56 42.488 41.712 0.776 2
1 638 . 1 1 A 60 60 PHE N N 56 127.604 127.202 0.402 2
1 639 . 1 1 A 61 61 ILE H H 57 9.231 8.779 0.452 2
1 640 . 1 1 A 61 61 ILE HA H 57 4.483 4.810 -0.327 2
1 650 . 1 1 A 61 61 ILE C C 57 176.418 175.900 0.518 2
1 651 . 1 1 A 61 61 ILE CA C 57 60.800 59.428 1.372 2
1 652 . 1 1 A 61 61 ILE CB C 57 39.431 40.652 -1.221 2
1 656 . 1 1 A 61 61 ILE N N 57 121.606 119.758 1.848 2
1 657 . 1 1 A 62 62 GLY H H 58 9.118 9.423 -0.305 2
1 658 . 1 1 A 62 62 GLY HA2 H 58 4.092 3.924 0.168 2
1 659 . 1 1 A 62 62 GLY HA3 H 58 3.951 3.941 0.010 2
1 660 . 1 1 A 62 62 GLY C C 58 174.058 174.286 -0.228 2
1 661 . 1 1 A 62 62 GLY CA C 58 47.516 47.226 0.290 2
1 662 . 1 1 A 62 62 GLY N N 58 118.483 115.069 3.414 2
1 663 . 1 1 A 63 63 ASP H H 59 8.944 8.738 0.206 2
1 664 . 1 1 A 63 63 ASP HA H 59 4.762 4.785 -0.023 2
1 667 . 1 1 A 63 63 ASP C C 59 175.220 174.459 0.761 2
1 668 . 1 1 A 63 63 ASP CA C 59 54.467 54.761 -0.294 2
1 669 . 1 1 A 63 63 ASP CB C 59 40.913 40.734 0.179 2
1 670 . 1 1 A 63 63 ASP N N 59 125.981 119.651 6.330 2
1 671 . 1 1 A 64 64 TYR H H 60 8.332 7.874 0.458 2
1 672 . 1 1 A 64 64 TYR HA H 60 4.600 4.823 -0.223 2
1 679 . 1 1 A 64 64 TYR C C 60 174.023 173.633 0.390 2
1 680 . 1 1 A 64 64 TYR CA C 60 57.761 56.874 0.887 2
1 681 . 1 1 A 64 64 TYR CB C 60 33.473 41.472 -7.999 2
1 682 . 1 1 A 64 64 TYR N N 60 122.443 120.051 2.392 2
1 683 . 1 1 A 65 65 HIS H H 61 8.625 7.793 0.832 2
1 684 . 1 1 A 65 65 HIS HA H 61 4.200 4.205 -0.005 2
1 689 . 1 1 A 65 65 HIS C C 61 171.910 174.639 -2.729 2
1 690 . 1 1 A 65 65 HIS CA C 61 53.347 54.107 -0.760 2
1 691 . 1 1 A 65 65 HIS CB C 61 28.830 30.454 -1.624 2
1 692 . 1 1 A 65 65 HIS N N 61 129.863 122.149 7.714 2
1 693 . 1 1 A 66 66 VAL H H 62 8.059 8.864 -0.805 2
1 694 . 1 1 A 66 66 VAL HA H 62 3.316 3.679 -0.363 2
1 702 . 1 1 A 66 66 VAL CA C 62 64.194 64.308 -0.114 2
1 703 . 1 1 A 66 66 VAL CB C 62 32.770 32.386 0.384 2
1 705 . 1 1 A 66 66 VAL N N 62 129.219 121.913 7.306 2
1 706 . 1 1 A 67 67 GLY H H 63 6.327 7.692 -1.365 2
1 707 . 1 1 A 67 67 GLY HA2 H 63 4.503 4.102 0.401 2
1 708 . 1 1 A 67 67 GLY HA3 H 63 2.870 4.129 -1.259 2
1 709 . 1 1 A 67 67 GLY C C 63 172.156 173.884 -1.728 2
1 710 . 1 1 A 67 67 GLY CA C 63 43.551 45.487 -1.936 2
1 711 . 1 1 A 67 67 GLY N N 63 102.548 107.336 -4.788 2
1 712 . 1 1 A 68 68 GLY H H 64 9.095 8.181 0.914 2
1 713 . 1 1 A 68 68 GLY HA2 H 64 4.863 4.101 0.762 2
1 714 . 1 1 A 68 68 GLY HA3 H 64 3.821 4.116 -0.295 2
1 715 . 1 1 A 68 68 GLY C C 64 172.509 174.859 -2.350 2
1 716 . 1 1 A 68 68 GLY CA C 64 43.870 44.558 -0.688 2
1 717 . 1 1 A 68 68 GLY N N 64 110.080 109.478 0.602 2
1 718 . 1 1 A 69 69 CYS H H 65 8.398 9.029 -0.631 2
1 719 . 1 1 A 69 69 CYS HA H 65 3.846 4.121 -0.275 2
1 722 . 1 1 A 69 69 CYS C C 65 173.741 176.652 -2.911 2
1 723 . 1 1 A 69 69 CYS CA C 65 62.944 62.438 0.506 2
1 724 . 1 1 A 69 69 CYS CB C 65 45.022 27.412 17.610 2
1 725 . 1 1 A 69 69 CYS N N 65 118.292 119.733 -1.441 2
1 726 . 1 1 A 70 70 ASP H H 66 9.110 8.359 0.751 2
1 727 . 1 1 A 70 70 ASP HA H 66 5.745 4.406 1.339 2
1 730 . 1 1 A 70 70 ASP C C 66 178.777 178.204 0.573 2
1 731 . 1 1 A 70 70 ASP CA C 66 57.437 56.896 0.541 2
1 732 . 1 1 A 70 70 ASP CB C 66 40.016 40.217 -0.201 2
1 733 . 1 1 A 70 70 ASP N N 66 123.178 120.654 2.524 2
1 734 . 1 1 A 71 71 ASP H H 67 7.301 8.135 -0.834 2
1 735 . 1 1 A 71 71 ASP HA H 67 4.362 4.336 0.026 2
1 738 . 1 1 A 71 71 ASP C C 67 177.474 178.674 -1.201 2
1 739 . 1 1 A 71 71 ASP CA C 67 57.381 57.531 -0.150 2
1 740 . 1 1 A 71 71 ASP CB C 67 41.503 41.064 0.439 2
1 741 . 1 1 A 71 71 ASP N N 67 119.848 120.030 -0.182 2
1 742 . 1 1 A 72 72 LEU H H 68 7.805 7.580 0.225 2
1 743 . 1 1 A 72 72 LEU HA H 68 3.822 4.016 -0.194 2
1 753 . 1 1 A 72 72 LEU C C 68 177.509 178.647 -1.138 2
1 754 . 1 1 A 72 72 LEU CA C 68 58.446 57.923 0.523 2
1 755 . 1 1 A 72 72 LEU CB C 68 42.524 41.356 1.168 2
1 757 . 1 1 A 72 72 LEU N N 68 121.720 118.128 3.592 2
1 758 . 1 1 A 73 73 TYR H H 69 8.229 8.069 0.160 2
1 759 . 1 1 A 73 73 TYR HA H 69 3.772 4.349 -0.577 2
1 766 . 1 1 A 73 73 TYR C C 69 177.721 178.297 -0.576 2
1 767 . 1 1 A 73 73 TYR CA C 69 62.867 60.500 2.367 2
1 768 . 1 1 A 73 73 TYR CB C 69 38.215 37.907 0.308 2
1 769 . 1 1 A 73 73 TYR N N 69 116.501 120.051 -3.550 2
1 770 . 1 1 A 74 74 ALA H H 70 8.275 8.592 -0.317 2
1 771 . 1 1 A 74 74 ALA HA H 70 4.286 4.092 0.194 2
1 775 . 1 1 A 74 74 ALA C C 70 180.045 179.966 0.079 2
1 776 . 1 1 A 74 74 ALA CA C 70 55.701 55.244 0.457 2
1 777 . 1 1 A 74 74 ALA CB C 70 17.944 18.173 -0.229 2
1 778 . 1 1 A 74 74 ALA N N 70 122.883 121.907 0.976 2
1 779 . 1 1 A 75 75 LEU H H 71 7.558 8.311 -0.753 2
1 780 . 1 1 A 75 75 LEU HA H 71 3.975 3.865 0.110 2
1 790 . 1 1 A 75 75 LEU C C 71 179.024 178.956 0.068 2
1 791 . 1 1 A 75 75 LEU CA C 71 57.994 58.203 -0.209 2
1 792 . 1 1 A 75 75 LEU CB C 71 42.836 41.621 1.215 2
1 793 . 1 1 A 75 75 LEU N N 71 117.133 118.343 -1.210 2
1 794 . 1 1 A 76 76 GLU H H 72 7.587 8.385 -0.798 2
1 795 . 1 1 A 76 76 GLU HA H 72 4.473 3.906 0.567 2
1 800 . 1 1 A 76 76 GLU C C 72 179.270 178.452 0.818 2
1 801 . 1 1 A 76 76 GLU CA C 72 58.296 59.558 -1.262 2
1 802 . 1 1 A 76 76 GLU CB C 72 28.457 29.078 -0.621 2
1 803 . 1 1 A 76 76 GLU N N 72 121.576 118.963 2.613 2
1 804 . 1 1 A 77 77 ASN H H 73 8.863 7.882 0.981 2
1 805 . 1 1 A 77 77 ASN HA H 73 4.511 4.500 0.011 2
1 810 . 1 1 A 77 77 ASN C C 73 176.664 177.169 -0.505 2
1 811 . 1 1 A 77 77 ASN CA C 73 55.944 55.418 0.526 2
1 812 . 1 1 A 77 77 ASN CB C 73 38.660 38.573 0.087 2
1 814 . 1 1 A 77 77 ASN N N 73 120.232 118.184 2.048 2
1 816 . 1 1 A 78 78 LYS H H 74 7.617 7.624 -0.007 2
1 817 . 1 1 A 78 78 LYS HA H 74 4.426 4.299 0.127 2
1 826 . 1 1 A 78 78 LYS C C 74 176.312 176.450 -0.138 2
1 827 . 1 1 A 78 78 LYS CA C 74 55.863 56.318 -0.455 2
1 828 . 1 1 A 78 78 LYS CB C 74 33.482 33.023 0.459 2
1 829 . 1 1 A 78 78 LYS N N 74 115.597 116.672 -1.075 2
1 830 . 1 1 A 79 79 GLY H H 75 8.023 7.624 0.399 2
1 831 . 1 1 A 79 79 GLY HA2 H 75 4.060 3.999 0.061 2
1 832 . 1 1 A 79 79 GLY HA3 H 75 4.060 4.002 0.058 2
1 833 . 1 1 A 79 79 GLY C C 75 175.009 175.646 -0.637 2
1 834 . 1 1 A 79 79 GLY CA C 75 46.234 45.126 1.108 2
1 835 . 1 1 A 79 79 GLY N N 75 109.073 105.796 3.277 2
1 836 . 1 1 A 80 80 LYS H H 76 8.091 8.444 -0.352 2
1 837 . 1 1 A 80 80 LYS HA H 76 4.422 4.335 0.087 2
1 846 . 1 1 A 80 80 LYS C C 76 173.037 177.503 -4.466 2
1 847 . 1 1 A 80 80 LYS CA C 76 55.679 56.785 -1.106 2
1 848 . 1 1 A 80 80 LYS CB C 76 35.038 32.476 2.562 2
1 849 . 1 1 A 80 80 LYS N N 76 116.888 120.510 -3.622 2
1 850 . 1 1 A 81 81 LEU H H 77 7.411 7.743 -0.332 2
1 851 . 1 1 A 81 81 LEU HA H 77 4.003 3.944 0.059 2
1 861 . 1 1 A 81 81 LEU C C 77 177.333 177.846 -0.513 2
1 862 . 1 1 A 81 81 LEU CA C 77 57.512 58.072 -0.560 2
1 863 . 1 1 A 81 81 LEU CB C 77 40.676 41.322 -0.646 2
1 864 . 1 1 A 81 81 LEU N N 77 122.079 121.755 0.324 2
1 865 . 1 1 A 82 82 ASP H H 78 8.613 8.360 0.253 2
1 866 . 1 1 A 82 82 ASP HA H 78 4.232 4.285 -0.053 2
1 869 . 1 1 A 82 82 ASP C C 78 178.354 178.472 -0.118 2
1 870 . 1 1 A 82 82 ASP CA C 78 58.438 57.627 0.811 2
1 871 . 1 1 A 82 82 ASP CB C 78 39.890 40.951 -1.061 2
1 872 . 1 1 A 82 82 ASP N N 78 118.813 119.051 -0.238 2
1 873 . 1 1 A 83 83 SER H H 79 7.886 7.731 0.155 2
1 874 . 1 1 A 83 83 SER HA H 79 4.164 4.198 -0.034 2
1 877 . 1 1 A 83 83 SER C C 79 176.171 177.514 -1.343 2
1 878 . 1 1 A 83 83 SER CA C 79 61.285 61.354 -0.069 2
1 879 . 1 1 A 83 83 SER CB C 79 62.632 62.948 -0.316 2
1 880 . 1 1 A 83 83 SER N N 79 113.338 114.188 -0.850 2
1 881 . 1 1 A 84 84 LEU H H 80 7.354 8.177 -0.823 2
1 882 . 1 1 A 84 84 LEU HA H 80 4.152 3.955 0.197 2
1 892 . 1 1 A 84 84 LEU C C 80 173.671 178.935 -5.264 2
1 893 . 1 1 A 84 84 LEU CA C 80 56.841 58.200 -1.359 2
1 894 . 1 1 A 84 84 LEU CB C 80 42.682 41.933 0.749 2
1 897 . 1 1 A 84 84 LEU N N 80 121.453 121.866 -0.413 2
1 898 . 1 1 A 85 85 LEU H H 81 7.655 8.606 -0.951 2
1 899 . 1 1 A 85 85 LEU HA H 81 4.113 3.893 0.220 2
1 909 . 1 1 A 85 85 LEU C C 81 177.333 179.014 -1.681 2
1 910 . 1 1 A 85 85 LEU CA C 81 55.748 58.111 -2.363 2
1 911 . 1 1 A 85 85 LEU CB C 81 41.707 41.209 0.498 2
1 914 . 1 1 A 85 85 LEU N N 81 115.497 118.553 -3.056 2
1 915 . 1 1 A 86 86 GLN H H 82 7.414 8.214 -0.800 2
1 916 . 1 1 A 86 86 GLN HA H 82 4.177 4.090 0.087 2
1 923 . 1 1 A 86 86 GLN C C 82 175.537 177.538 -2.001 2
1 924 . 1 1 A 86 86 GLN CA C 82 56.986 58.605 -1.619 2
1 925 . 1 1 A 86 86 GLN CB C 82 29.187 28.593 0.594 2
1 928 . 1 1 A 86 86 GLN N N 82 117.020 118.077 -1.057 2
1 930 . 1 1 A 87 87 ASP H H 83 8.092 7.962 0.130 2
1 931 . 1 1 A 87 87 ASP HA H 83 4.672 4.587 0.085 2
1 934 . 1 1 A 87 87 ASP C C 83 177.263 178.441 -1.178 2
1 935 . 1 1 A 87 87 ASP CA C 83 54.394 56.590 -2.196 2
1 936 . 1 1 A 87 87 ASP CB C 83 40.722 41.122 -0.400 2
1 937 . 1 1 A 87 87 ASP N N 83 119.072 118.861 0.211 2
1 938 . 1 1 A 88 88 VAL H H 84 7.692 8.146 -0.454 2
1 939 . 1 1 A 88 88 VAL HA H 84 4.175 3.927 0.248 2
1 947 . 1 1 A 88 88 VAL C C 84 174.164 177.739 -3.575 2
1 948 . 1 1 A 88 88 VAL CA C 84 62.165 65.500 -3.335 2
1 949 . 1 1 A 88 88 VAL CB C 84 32.284 31.469 0.815 2
1 952 . 1 1 A 88 88 VAL N N 84 118.778 115.591 3.187 2
stop_
save_