data_16149_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16149
_Entry.PDB_ID 2KEH
_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 14 . 1 1 1 A 2 2 ARG H H 2 8.775 8.057 0.718 1
1 15 . 1 1 1 A 2 2 ARG HA H 2 4.494 4.547 -0.053 1
1 23 . 1 1 1 A 2 2 ARG C C 2 175.506 175.819 -0.313 1
1 24 . 1 1 1 A 2 2 ARG CA C 2 56.406 55.070 1.336 1
1 27 . 1 1 1 A 2 2 ARG N N 2 123.489 119.773 3.716 1
1 28 . 1 1 1 A 3 3 SER H H 3 8.406 8.421 -0.015 1
1 29 . 1 1 1 A 3 3 SER HA H 3 4.600 4.627 -0.027 1
1 32 . 1 1 1 A 3 3 SER C C 3 174.478 174.097 0.381 1
1 33 . 1 1 1 A 3 3 SER CA C 3 57.797 59.114 -1.317 1
1 34 . 1 1 1 A 3 3 SER CB C 3 64.546 65.842 -1.296 1
1 35 . 1 1 1 A 3 3 SER N N 3 117.028 120.521 -3.493 1
1 36 . 1 1 1 A 4 4 ARG H H 4 8.508 7.709 0.799 1
1 37 . 1 1 1 A 4 4 ARG HA H 4 4.400 4.244 0.156 1
1 45 . 1 1 1 A 4 4 ARG CA C 4 56.661 55.367 1.294 1
1 46 . 1 1 1 A 4 4 ARG CB C 4 30.943 28.679 2.264 1
1 49 . 1 1 1 A 4 4 ARG N N 4 122.829 120.460 2.369 1
1 50 . 1 1 1 A 5 5 LYS H H 5 8.256 7.813 0.443 1
1 51 . 1 1 1 A 5 5 LYS HA H 5 4.290 4.464 -0.174 1
1 60 . 1 1 1 A 5 5 LYS CA C 5 56.843 57.251 -0.408 1
1 61 . 1 1 1 A 5 5 LYS CB C 5 32.969 35.319 -2.350 1
1 65 . 1 1 1 A 5 5 LYS N N 5 120.908 122.077 -1.169 1
1 66 . 1 1 1 A 6 6 ASN H H 6 8.204 8.283 -0.079 1
1 67 . 1 1 1 A 6 6 ASN HA H 6 4.757 4.522 0.235 1
1 72 . 1 1 1 A 6 6 ASN C C 6 174.392 176.255 -1.863 1
1 73 . 1 1 1 A 6 6 ASN CA C 6 53.146 54.357 -1.211 1
1 74 . 1 1 1 A 6 6 ASN CB C 6 38.927 38.972 -0.045 1
1 76 . 1 1 1 A 6 6 ASN N N 6 118.424 117.880 0.544 1
1 78 . 1 1 1 A 7 7 GLY H H 7 8.307 7.826 0.481 1
1 79 . 1 1 1 A 7 7 GLY HA2 H 7 4.059 3.891 0.168 1
1 80 . 1 1 1 A 7 7 GLY HA3 H 7 4.094 3.957 0.137 1
1 81 . 1 1 1 A 7 7 GLY CA C 7 45.902 46.317 -0.415 1
1 82 . 1 1 1 A 7 7 GLY N N 7 108.391 106.605 1.786 1
1 83 . 1 1 1 A 8 8 ILE H H 8 7.989 8.252 -0.263 1
1 84 . 1 1 1 A 8 8 ILE HA H 8 4.126 3.934 0.192 1
1 94 . 1 1 1 A 8 8 ILE C C 8 176.811 177.774 -0.963 1
1 95 . 1 1 1 A 8 8 ILE CA C 8 63.018 64.791 -1.773 1
1 96 . 1 1 1 A 8 8 ILE CB C 8 38.402 37.703 0.699 1
1 100 . 1 1 1 A 8 8 ILE N N 8 120.369 121.703 -1.334 1
1 101 . 1 1 1 A 9 9 GLY H H 9 8.243 8.090 0.153 1
1 102 . 1 1 1 A 9 9 GLY HA2 H 9 3.844 4.210 -0.366 1
1 103 . 1 1 1 A 9 9 GLY HA3 H 9 3.844 4.263 -0.419 1
1 104 . 1 1 1 A 9 9 GLY CA C 9 46.491 45.686 0.805 1
1 105 . 1 1 1 A 9 9 GLY N N 9 108.169 109.537 -1.368 1
1 106 . 1 1 1 A 10 10 TYR H H 10 7.763 7.915 -0.152 1
1 107 . 1 1 1 A 10 10 TYR HA H 10 4.408 4.710 -0.302 1
1 114 . 1 1 1 A 10 10 TYR CA C 10 59.789 59.653 0.136 1
1 115 . 1 1 1 A 10 10 TYR CB C 10 38.316 37.753 0.563 1
1 120 . 1 1 1 A 10 10 TYR N N 10 119.911 119.488 0.423 1
1 121 . 1 1 1 A 11 11 ALA H H 11 7.899 8.394 -0.495 1
1 122 . 1 1 1 A 11 11 ALA HA H 11 4.229 4.131 0.098 1
1 126 . 1 1 1 A 11 11 ALA C C 11 179.361 179.580 -0.219 1
1 127 . 1 1 1 A 11 11 ALA CA C 11 54.791 55.246 -0.455 1
1 128 . 1 1 1 A 11 11 ALA CB C 11 17.766 18.465 -0.699 1
1 129 . 1 1 1 A 11 11 ALA N N 11 122.809 122.404 0.405 1
1 130 . 1 1 1 A 12 12 ILE H H 12 8.091 8.210 -0.119 1
1 131 . 1 1 1 A 12 12 ILE HA H 12 3.927 3.837 0.090 1
1 141 . 1 1 1 A 12 12 ILE CA C 12 64.005 65.198 -1.193 1
1 142 . 1 1 1 A 12 12 ILE CB C 12 38.109 38.069 0.040 1
1 146 . 1 1 1 A 12 12 ILE N N 12 117.663 118.669 -1.006 1
1 147 . 1 1 1 A 13 13 GLY H H 13 8.014 7.988 0.026 1
1 148 . 1 1 1 A 13 13 GLY HA2 H 13 3.974 3.801 0.173 1
1 149 . 1 1 1 A 13 13 GLY HA3 H 13 4.136 3.914 0.222 1
1 150 . 1 1 1 A 13 13 GLY N N 13 108.042 107.940 0.102 1
1 151 . 1 1 1 A 14 14 TYR H H 14 8.158 8.005 0.153 1
1 152 . 1 1 1 A 14 14 TYR HA H 14 4.310 4.041 0.269 1
1 159 . 1 1 1 A 14 14 TYR CA C 14 60.839 60.115 0.724 1
1 160 . 1 1 1 A 14 14 TYR CB C 14 38.340 38.767 -0.427 1
1 165 . 1 1 1 A 14 14 TYR N N 14 121.815 123.808 -1.993 1
1 166 . 1 1 1 A 15 15 ALA H H 15 8.233 8.170 0.063 1
1 167 . 1 1 1 A 15 15 ALA HA H 15 4.162 4.283 -0.121 1
1 171 . 1 1 1 A 15 15 ALA C C 15 179.200 179.769 -0.569 1
1 172 . 1 1 1 A 15 15 ALA CA C 15 55.091 54.947 0.144 1
1 173 . 1 1 1 A 15 15 ALA CB C 15 17.743 18.404 -0.661 1
1 174 . 1 1 1 A 15 15 ALA N N 15 123.427 121.554 1.873 1
1 175 . 1 1 1 A 16 16 PHE H H 16 8.531 8.099 0.432 1
1 176 . 1 1 1 A 16 16 PHE HA H 16 4.363 4.261 0.102 1
1 184 . 1 1 1 A 16 16 PHE CA C 16 60.569 60.074 0.495 1
1 185 . 1 1 1 A 16 16 PHE CB C 16 43.263 38.236 5.027 1
1 190 . 1 1 1 A 16 16 PHE N N 16 116.921 118.434 -1.513 1
1 191 . 1 1 1 A 17 17 GLY H H 17 8.095 8.649 -0.554 1
1 192 . 1 1 1 A 17 17 GLY HA2 H 17 3.893 3.791 0.102 1
1 193 . 1 1 1 A 17 17 GLY HA3 H 17 3.893 3.851 0.042 1
1 194 . 1 1 1 A 17 17 GLY CA C 17 46.840 46.929 -0.089 1
1 195 . 1 1 1 A 17 17 GLY N N 17 105.887 105.925 -0.038 1
1 196 . 1 1 1 A 18 18 ALA H H 18 7.858 7.938 -0.080 1
1 197 . 1 1 1 A 18 18 ALA HA H 18 4.088 3.974 0.114 1
1 201 . 1 1 1 A 18 18 ALA C C 18 180.375 179.646 0.729 1
1 202 . 1 1 1 A 18 18 ALA CA C 18 55.324 54.637 0.687 1
1 203 . 1 1 1 A 18 18 ALA CB C 18 17.605 18.437 -0.832 1
1 204 . 1 1 1 A 18 18 ALA N N 18 123.999 124.847 -0.848 1
1 205 . 1 1 1 A 19 19 VAL H H 19 7.970 7.985 -0.015 1
1 206 . 1 1 1 A 19 19 VAL HA H 19 3.669 3.517 0.152 1
1 214 . 1 1 1 A 19 19 VAL CA C 19 66.502 66.130 0.372 1
1 215 . 1 1 1 A 19 19 VAL CB C 19 31.765 31.762 0.003 1
1 218 . 1 1 1 A 19 19 VAL N N 19 119.834 118.653 1.181 1
1 219 . 1 1 1 A 20 20 GLU H H 20 8.263 7.687 0.576 1
1 220 . 1 1 1 A 20 20 GLU HA H 20 3.866 4.123 -0.257 1
1 225 . 1 1 1 A 20 20 GLU CA C 20 59.604 59.519 0.085 1
1 226 . 1 1 1 A 20 20 GLU CB C 20 27.822 29.497 -1.675 1
1 229 . 1 1 1 A 20 20 GLU N N 20 118.154 119.506 -1.352 1
1 230 . 1 1 1 A 21 21 ARG H H 21 8.007 7.629 0.378 1
1 231 . 1 1 1 A 21 21 ARG HA H 21 3.974 3.993 -0.019 1
1 238 . 1 1 1 A 21 21 ARG CA C 21 59.705 59.013 0.692 1
1 239 . 1 1 1 A 21 21 ARG CB C 21 30.141 29.724 0.417 1
1 241 . 1 1 1 A 22 22 ALA H H 22 7.930 7.634 0.296 1
1 242 . 1 1 1 A 22 22 ALA HA H 22 4.201 4.053 0.148 1
1 246 . 1 1 1 A 22 22 ALA C C 22 180.595 180.218 0.377 1
1 247 . 1 1 1 A 22 22 ALA CA C 22 55.046 55.088 -0.042 1
1 248 . 1 1 1 A 22 22 ALA CB C 22 17.756 18.493 -0.737 1
1 249 . 1 1 1 A 22 22 ALA N N 22 122.985 121.967 1.018 1
1 250 . 1 1 1 A 23 23 VAL H H 23 8.512 7.876 0.636 1
1 251 . 1 1 1 A 23 23 VAL HA H 23 3.778 3.684 0.094 1
1 259 . 1 1 1 A 23 23 VAL CA C 23 66.053 66.485 -0.432 1
1 260 . 1 1 1 A 23 23 VAL CB C 23 32.037 31.172 0.865 1
1 263 . 1 1 1 A 23 23 VAL N N 23 119.108 117.983 1.125 1
1 264 . 1 1 1 A 24 24 LEU H H 24 8.480 8.248 0.232 1
1 265 . 1 1 1 A 24 24 LEU HA H 24 4.235 3.944 0.291 1
1 275 . 1 1 1 A 24 24 LEU CA C 24 57.204 58.154 -0.950 1
1 276 . 1 1 1 A 24 24 LEU CB C 24 41.761 42.003 -0.242 1
1 279 . 1 1 1 A 24 24 LEU N N 24 120.029 121.484 -1.455 1
1 280 . 1 1 1 A 25 25 GLY H H 25 8.146 7.753 0.393 1
1 281 . 1 1 1 A 25 25 GLY HA2 H 25 3.965 3.772 0.193 1
1 282 . 1 1 1 A 25 25 GLY HA3 H 25 4.027 3.774 0.253 1
1 283 . 1 1 1 A 25 25 GLY CA C 25 46.078 47.029 -0.951 1
1 284 . 1 1 1 A 25 25 GLY N N 25 106.295 106.275 0.020 1
1 285 . 1 1 1 A 26 26 GLY H H 26 7.995 7.480 0.515 1
1 286 . 1 1 1 A 26 26 GLY HA2 H 26 3.891 4.033 -0.142 1
1 287 . 1 1 1 A 26 26 GLY HA3 H 26 3.891 4.041 -0.150 1
1 288 . 1 1 1 A 26 26 GLY N N 26 106.665 108.178 -1.513 1
1 289 . 1 1 1 A 27 27 SER H H 27 8.068 8.738 -0.670 1
1 290 . 1 1 1 A 27 27 SER HA H 27 4.415 4.414 0.001 1
1 293 . 1 1 1 A 27 27 SER CB C 27 63.608 63.764 -0.156 1
1 294 . 1 1 1 A 27 27 SER N N 27 115.282 121.237 -5.955 1
1 295 . 1 1 1 A 28 28 ARG H H 28 7.987 8.705 -0.718 1
1 296 . 1 1 1 A 28 28 ARG HA H 28 4.353 4.485 -0.132 1
1 304 . 1 1 1 A 28 28 ARG CA C 28 56.445 55.750 0.695 1
1 307 . 1 1 1 A 28 28 ARG N N 28 120.986 126.517 -5.531 1
1 308 . 1 1 1 A 29 29 ASP H H 29 8.095 8.074 0.021 1
1 309 . 1 1 1 A 29 29 ASP HA H 29 4.727 5.126 -0.399 1
1 312 . 1 1 1 A 29 29 ASP C C 29 174.757 173.960 0.797 1
1 313 . 1 1 1 A 29 29 ASP CB C 29 37.688 44.282 -6.594 1
1 315 . 1 1 1 A 30 30 TYR H H 30 7.885 8.722 -0.837 1
1 316 . 1 1 1 A 30 30 TYR HA H 30 4.554 4.876 -0.322 1
1 323 . 1 1 1 A 30 30 TYR C C 30 175.274 173.522 1.752 1
1 324 . 1 1 1 A 30 30 TYR CA C 30 58.226 58.348 -0.122 1
1 325 . 1 1 1 A 30 30 TYR CB C 30 38.355 41.322 -2.967 1
1 330 . 1 1 1 A 30 30 TYR N N 30 119.689 123.104 -3.415 1
1 331 . 1 1 1 A 31 31 ASN H H 31 8.081 8.594 -0.513 1
1 332 . 1 1 1 A 31 31 ASN HA H 31 4.739 4.799 -0.060 1
1 337 . 1 1 1 A 31 31 ASN C C 31 174.469 174.416 0.053 1
1 338 . 1 1 1 A 31 31 ASN CA C 31 53.266 53.159 0.107 1
1 339 . 1 1 1 A 31 31 ASN CB C 31 38.838 40.672 -1.834 1
1 341 . 1 1 1 A 31 31 ASN N N 31 118.821 123.859 -5.038 1
1 14 . 2 1 1 A 2 2 ARG H H 2 8.775 7.763 1.012 1
1 15 . 2 1 1 A 2 2 ARG HA H 2 4.494 4.334 0.160 1
1 23 . 2 1 1 A 2 2 ARG C C 2 175.506 175.896 -0.390 1
1 24 . 2 1 1 A 2 2 ARG CA C 2 56.406 56.409 -0.003 1
1 27 . 2 1 1 A 2 2 ARG N N 2 123.489 119.039 4.450 1
1 28 . 2 1 1 A 3 3 SER H H 3 8.406 8.746 -0.340 1
1 29 . 2 1 1 A 3 3 SER HA H 3 4.600 4.639 -0.039 1
1 32 . 2 1 1 A 3 3 SER C C 3 174.478 173.653 0.825 1
1 33 . 2 1 1 A 3 3 SER CA C 3 57.797 59.461 -1.664 1
1 34 . 2 1 1 A 3 3 SER CB C 3 64.546 64.207 0.339 1
1 35 . 2 1 1 A 3 3 SER N N 3 117.028 120.647 -3.619 1
1 36 . 2 1 1 A 4 4 ARG H H 4 8.508 8.852 -0.344 1
1 37 . 2 1 1 A 4 4 ARG HA H 4 4.400 4.410 -0.010 1
1 45 . 2 1 1 A 4 4 ARG CA C 4 56.661 55.605 1.056 1
1 46 . 2 1 1 A 4 4 ARG CB C 4 30.943 28.434 2.509 1
1 49 . 2 1 1 A 4 4 ARG N N 4 122.829 123.723 -0.894 1
1 50 . 2 1 1 A 5 5 LYS H H 5 8.256 7.750 0.506 1
1 51 . 2 1 1 A 5 5 LYS HA H 5 4.290 4.561 -0.271 1
1 60 . 2 1 1 A 5 5 LYS CA C 5 56.843 55.780 1.063 1
1 61 . 2 1 1 A 5 5 LYS CB C 5 32.969 33.273 -0.304 1
1 65 . 2 1 1 A 5 5 LYS N N 5 120.908 122.062 -1.154 1
1 66 . 2 1 1 A 6 6 ASN H H 6 8.204 8.094 0.110 1
1 67 . 2 1 1 A 6 6 ASN HA H 6 4.757 4.857 -0.100 1
1 72 . 2 1 1 A 6 6 ASN C C 6 174.392 174.994 -0.602 1
1 73 . 2 1 1 A 6 6 ASN CA C 6 53.146 53.886 -0.740 1
1 74 . 2 1 1 A 6 6 ASN CB C 6 38.927 41.781 -2.854 1
1 76 . 2 1 1 A 6 6 ASN N N 6 118.424 118.213 0.211 1
1 78 . 2 1 1 A 7 7 GLY H H 7 8.307 7.235 1.072 1
1 79 . 2 1 1 A 7 7 GLY HA2 H 7 4.059 4.125 -0.066 1
1 80 . 2 1 1 A 7 7 GLY HA3 H 7 4.094 4.167 -0.073 1
1 81 . 2 1 1 A 7 7 GLY CA C 7 45.902 45.806 0.096 1
1 82 . 2 1 1 A 7 7 GLY N N 7 108.391 104.721 3.670 1
1 83 . 2 1 1 A 8 8 ILE H H 8 7.989 8.262 -0.273 1
1 84 . 2 1 1 A 8 8 ILE HA H 8 4.126 3.914 0.212 1
1 94 . 2 1 1 A 8 8 ILE C C 8 176.811 177.738 -0.927 1
1 95 . 2 1 1 A 8 8 ILE CA C 8 63.018 65.150 -2.132 1
1 96 . 2 1 1 A 8 8 ILE CB C 8 38.402 37.975 0.427 1
1 100 . 2 1 1 A 8 8 ILE N N 8 120.369 121.349 -0.980 1
1 101 . 2 1 1 A 9 9 GLY H H 9 8.243 8.200 0.043 1
1 102 . 2 1 1 A 9 9 GLY HA2 H 9 3.844 4.184 -0.340 1
1 103 . 2 1 1 A 9 9 GLY HA3 H 9 3.844 4.232 -0.388 1
1 104 . 2 1 1 A 9 9 GLY CA C 9 46.491 45.555 0.936 1
1 105 . 2 1 1 A 9 9 GLY N N 9 108.169 109.474 -1.305 1
1 106 . 2 1 1 A 10 10 TYR H H 10 7.763 8.017 -0.254 1
1 107 . 2 1 1 A 10 10 TYR HA H 10 4.408 4.712 -0.304 1
1 114 . 2 1 1 A 10 10 TYR CA C 10 59.789 59.659 0.130 1
1 115 . 2 1 1 A 10 10 TYR CB C 10 38.316 37.913 0.403 1
1 120 . 2 1 1 A 10 10 TYR N N 10 119.911 119.366 0.545 1
1 121 . 2 1 1 A 11 11 ALA H H 11 7.899 8.392 -0.493 1
1 122 . 2 1 1 A 11 11 ALA HA H 11 4.229 4.117 0.112 1
1 126 . 2 1 1 A 11 11 ALA C C 11 179.361 179.619 -0.258 1
1 127 . 2 1 1 A 11 11 ALA CA C 11 54.791 55.219 -0.428 1
1 128 . 2 1 1 A 11 11 ALA CB C 11 17.766 18.440 -0.674 1
1 129 . 2 1 1 A 11 11 ALA N N 11 122.809 122.381 0.428 1
1 130 . 2 1 1 A 12 12 ILE H H 12 8.091 8.212 -0.121 1
1 131 . 2 1 1 A 12 12 ILE HA H 12 3.927 3.842 0.085 1
1 141 . 2 1 1 A 12 12 ILE CA C 12 64.005 65.203 -1.198 1
1 142 . 2 1 1 A 12 12 ILE CB C 12 38.109 38.080 0.029 1
1 146 . 2 1 1 A 12 12 ILE N N 12 117.663 118.687 -1.024 1
1 147 . 2 1 1 A 13 13 GLY H H 13 8.014 7.664 0.350 1
1 148 . 2 1 1 A 13 13 GLY HA2 H 13 3.974 3.799 0.175 1
1 149 . 2 1 1 A 13 13 GLY HA3 H 13 4.136 3.898 0.238 1
1 150 . 2 1 1 A 13 13 GLY N N 13 108.042 107.899 0.143 1
1 151 . 2 1 1 A 14 14 TYR H H 14 8.158 8.042 0.116 1
1 152 . 2 1 1 A 14 14 TYR HA H 14 4.310 4.030 0.280 1
1 159 . 2 1 1 A 14 14 TYR CA C 14 60.839 59.924 0.915 1
1 160 . 2 1 1 A 14 14 TYR CB C 14 38.340 38.701 -0.361 1
1 165 . 2 1 1 A 14 14 TYR N N 14 121.815 123.689 -1.874 1
1 166 . 2 1 1 A 15 15 ALA H H 15 8.233 8.063 0.170 1
1 167 . 2 1 1 A 15 15 ALA HA H 15 4.162 4.198 -0.036 1
1 171 . 2 1 1 A 15 15 ALA C C 15 179.200 179.697 -0.497 1
1 172 . 2 1 1 A 15 15 ALA CA C 15 55.091 55.061 0.030 1
1 173 . 2 1 1 A 15 15 ALA CB C 15 17.743 18.355 -0.612 1
1 174 . 2 1 1 A 15 15 ALA N N 15 123.427 121.598 1.829 1
1 175 . 2 1 1 A 16 16 PHE H H 16 8.531 8.518 0.013 1
1 176 . 2 1 1 A 16 16 PHE HA H 16 4.363 3.556 0.807 1
1 184 . 2 1 1 A 16 16 PHE CA C 16 60.569 57.998 2.571 1
1 185 . 2 1 1 A 16 16 PHE CB C 16 43.263 37.714 5.549 1
1 190 . 2 1 1 A 16 16 PHE N N 16 116.921 118.317 -1.396 1
1 191 . 2 1 1 A 17 17 GLY H H 17 8.095 8.936 -0.841 1
1 192 . 2 1 1 A 17 17 GLY HA2 H 17 3.893 3.754 0.139 1
1 193 . 2 1 1 A 17 17 GLY HA3 H 17 3.893 3.809 0.084 1
1 194 . 2 1 1 A 17 17 GLY CA C 17 46.840 46.848 -0.008 1
1 195 . 2 1 1 A 17 17 GLY N N 17 105.887 108.278 -2.391 1
1 196 . 2 1 1 A 18 18 ALA H H 18 7.858 7.674 0.184 1
1 197 . 2 1 1 A 18 18 ALA HA H 18 4.088 3.962 0.126 1
1 201 . 2 1 1 A 18 18 ALA C C 18 180.375 179.720 0.655 1
1 202 . 2 1 1 A 18 18 ALA CA C 18 55.324 54.641 0.683 1
1 203 . 2 1 1 A 18 18 ALA CB C 18 17.605 18.441 -0.836 1
1 204 . 2 1 1 A 18 18 ALA N N 18 123.999 124.791 -0.792 1
1 205 . 2 1 1 A 19 19 VAL H H 19 7.970 8.260 -0.290 1
1 206 . 2 1 1 A 19 19 VAL HA H 19 3.669 3.498 0.171 1
1 214 . 2 1 1 A 19 19 VAL CA C 19 66.502 66.331 0.171 1
1 215 . 2 1 1 A 19 19 VAL CB C 19 31.765 31.696 0.069 1
1 218 . 2 1 1 A 19 19 VAL N N 19 119.834 118.908 0.926 1
1 219 . 2 1 1 A 20 20 GLU H H 20 8.263 7.774 0.489 1
1 220 . 2 1 1 A 20 20 GLU HA H 20 3.866 4.130 -0.264 1
1 225 . 2 1 1 A 20 20 GLU CA C 20 59.604 59.521 0.083 1
1 226 . 2 1 1 A 20 20 GLU CB C 20 27.822 29.502 -1.680 1
1 229 . 2 1 1 A 20 20 GLU N N 20 118.154 119.454 -1.300 1
1 230 . 2 1 1 A 21 21 ARG H H 21 8.007 7.676 0.331 1
1 231 . 2 1 1 A 21 21 ARG HA H 21 3.974 3.977 -0.003 1
1 238 . 2 1 1 A 21 21 ARG CA C 21 59.705 59.051 0.654 1
1 239 . 2 1 1 A 21 21 ARG CB C 21 30.141 29.933 0.208 1
1 241 . 2 1 1 A 22 22 ALA H H 22 7.930 7.829 0.101 1
1 242 . 2 1 1 A 22 22 ALA HA H 22 4.201 4.057 0.144 1
1 246 . 2 1 1 A 22 22 ALA C C 22 180.595 180.303 0.292 1
1 247 . 2 1 1 A 22 22 ALA CA C 22 55.046 55.144 -0.098 1
1 248 . 2 1 1 A 22 22 ALA CB C 22 17.756 18.582 -0.826 1
1 249 . 2 1 1 A 22 22 ALA N N 22 122.985 122.349 0.636 1
1 250 . 2 1 1 A 23 23 VAL H H 23 8.512 7.852 0.660 1
1 251 . 2 1 1 A 23 23 VAL HA H 23 3.778 3.674 0.104 1
1 259 . 2 1 1 A 23 23 VAL CA C 23 66.053 66.494 -0.441 1
1 260 . 2 1 1 A 23 23 VAL CB C 23 32.037 31.140 0.897 1
1 263 . 2 1 1 A 23 23 VAL N N 23 119.108 118.070 1.038 1
1 264 . 2 1 1 A 24 24 LEU H H 24 8.480 8.119 0.361 1
1 265 . 2 1 1 A 24 24 LEU HA H 24 4.235 3.979 0.256 1
1 275 . 2 1 1 A 24 24 LEU CA C 24 57.204 58.035 -0.831 1
1 276 . 2 1 1 A 24 24 LEU CB C 24 41.761 41.985 -0.224 1
1 279 . 2 1 1 A 24 24 LEU N N 24 120.029 121.824 -1.795 1
1 280 . 2 1 1 A 25 25 GLY H H 25 8.146 7.516 0.630 1
1 281 . 2 1 1 A 25 25 GLY HA2 H 25 3.965 4.123 -0.158 1
1 282 . 2 1 1 A 25 25 GLY HA3 H 25 4.027 4.124 -0.097 1
1 283 . 2 1 1 A 25 25 GLY CA C 25 46.078 45.497 0.581 1
1 284 . 2 1 1 A 25 25 GLY N N 25 106.295 106.128 0.167 1
1 285 . 2 1 1 A 26 26 GLY H H 26 7.995 7.975 0.020 1
1 286 . 2 1 1 A 26 26 GLY HA2 H 26 3.891 4.013 -0.122 1
1 287 . 2 1 1 A 26 26 GLY HA3 H 26 3.891 4.015 -0.124 1
1 288 . 2 1 1 A 26 26 GLY N N 26 106.665 108.208 -1.543 1
1 289 . 2 1 1 A 27 27 SER H H 27 8.068 7.451 0.617 1
1 290 . 2 1 1 A 27 27 SER HA H 27 4.415 4.238 0.177 1
1 293 . 2 1 1 A 27 27 SER CB C 27 63.608 64.390 -0.782 1
1 294 . 2 1 1 A 27 27 SER N N 27 115.282 116.365 -1.083 1
1 295 . 2 1 1 A 28 28 ARG H H 28 7.987 8.914 -0.927 1
1 296 . 2 1 1 A 28 28 ARG HA H 28 4.353 3.909 0.444 1
1 304 . 2 1 1 A 28 28 ARG CA C 28 56.445 56.849 -0.404 1
1 307 . 2 1 1 A 28 28 ARG N N 28 120.986 124.988 -4.002 1
1 308 . 2 1 1 A 29 29 ASP H H 29 8.095 7.935 0.160 1
1 309 . 2 1 1 A 29 29 ASP HA H 29 4.727 5.133 -0.406 1
1 312 . 2 1 1 A 29 29 ASP C C 29 174.757 173.794 0.963 1
1 313 . 2 1 1 A 29 29 ASP CB C 29 37.688 44.430 -6.742 1
1 315 . 2 1 1 A 30 30 TYR H H 30 7.885 8.770 -0.885 1
1 316 . 2 1 1 A 30 30 TYR HA H 30 4.554 4.753 -0.199 1
1 323 . 2 1 1 A 30 30 TYR C C 30 175.274 175.115 0.159 1
1 324 . 2 1 1 A 30 30 TYR CA C 30 58.226 56.857 1.369 1
1 325 . 2 1 1 A 30 30 TYR CB C 30 38.355 36.682 1.673 1
1 330 . 2 1 1 A 30 30 TYR N N 30 119.689 121.988 -2.299 1
1 331 . 2 1 1 A 31 31 ASN H H 31 8.081 8.604 -0.523 1
1 332 . 2 1 1 A 31 31 ASN HA H 31 4.739 4.841 -0.102 1
1 337 . 2 1 1 A 31 31 ASN C C 31 174.469 174.372 0.097 1
1 338 . 2 1 1 A 31 31 ASN CA C 31 53.266 53.246 0.020 1
1 339 . 2 1 1 A 31 31 ASN CB C 31 38.838 40.697 -1.859 1
1 341 . 2 1 1 A 31 31 ASN N N 31 118.821 122.736 -3.915 1
1 14 . 3 1 1 A 2 2 ARG H H 2 8.775 8.882 -0.107 1
1 15 . 3 1 1 A 2 2 ARG HA H 2 4.494 5.170 -0.676 1
1 23 . 3 1 1 A 2 2 ARG C C 2 175.506 174.999 0.507 1
1 24 . 3 1 1 A 2 2 ARG CA C 2 56.406 54.727 1.679 1
1 27 . 3 1 1 A 2 2 ARG N N 2 123.489 125.465 -1.976 1
1 28 . 3 1 1 A 3 3 SER H H 3 8.406 8.774 -0.368 1
1 29 . 3 1 1 A 3 3 SER HA H 3 4.600 4.625 -0.025 1
1 32 . 3 1 1 A 3 3 SER C C 3 174.478 174.133 0.345 1
1 33 . 3 1 1 A 3 3 SER CA C 3 57.797 59.248 -1.451 1
1 34 . 3 1 1 A 3 3 SER CB C 3 64.546 65.980 -1.434 1
1 35 . 3 1 1 A 3 3 SER N N 3 117.028 117.168 -0.140 1
1 36 . 3 1 1 A 4 4 ARG H H 4 8.508 7.614 0.894 1
1 37 . 3 1 1 A 4 4 ARG HA H 4 4.400 4.511 -0.111 1
1 45 . 3 1 1 A 4 4 ARG CA C 4 56.661 55.717 0.944 1
1 46 . 3 1 1 A 4 4 ARG CB C 4 30.943 30.960 -0.017 1
1 49 . 3 1 1 A 4 4 ARG N N 4 122.829 120.761 2.068 1
1 50 . 3 1 1 A 5 5 LYS H H 5 8.256 7.840 0.416 1
1 51 . 3 1 1 A 5 5 LYS HA H 5 4.290 4.578 -0.288 1
1 60 . 3 1 1 A 5 5 LYS CA C 5 56.843 57.400 -0.557 1
1 61 . 3 1 1 A 5 5 LYS CB C 5 32.969 35.051 -2.082 1
1 65 . 3 1 1 A 5 5 LYS N N 5 120.908 121.298 -0.390 1
1 66 . 3 1 1 A 6 6 ASN H H 6 8.204 8.577 -0.373 1
1 67 . 3 1 1 A 6 6 ASN HA H 6 4.757 4.503 0.254 1
1 72 . 3 1 1 A 6 6 ASN C C 6 174.392 175.826 -1.434 1
1 73 . 3 1 1 A 6 6 ASN CA C 6 53.146 55.874 -2.728 1
1 74 . 3 1 1 A 6 6 ASN CB C 6 38.927 38.198 0.729 1
1 76 . 3 1 1 A 6 6 ASN N N 6 118.424 118.883 -0.459 1
1 78 . 3 1 1 A 7 7 GLY H H 7 8.307 7.882 0.425 1
1 79 . 3 1 1 A 7 7 GLY HA2 H 7 4.059 3.963 0.096 1
1 80 . 3 1 1 A 7 7 GLY HA3 H 7 4.094 4.057 0.037 1
1 81 . 3 1 1 A 7 7 GLY CA C 7 45.902 45.576 0.326 1
1 82 . 3 1 1 A 7 7 GLY N N 7 108.391 106.235 2.156 1
1 83 . 3 1 1 A 8 8 ILE H H 8 7.989 8.586 -0.597 1
1 84 . 3 1 1 A 8 8 ILE HA H 8 4.126 3.848 0.278 1
1 94 . 3 1 1 A 8 8 ILE C C 8 176.811 177.354 -0.543 1
1 95 . 3 1 1 A 8 8 ILE CA C 8 63.018 65.021 -2.003 1
1 96 . 3 1 1 A 8 8 ILE CB C 8 38.402 37.809 0.593 1
1 100 . 3 1 1 A 8 8 ILE N N 8 120.369 124.376 -4.007 1
1 101 . 3 1 1 A 9 9 GLY H H 9 8.243 8.054 0.189 1
1 102 . 3 1 1 A 9 9 GLY HA2 H 9 3.844 4.228 -0.384 1
1 103 . 3 1 1 A 9 9 GLY HA3 H 9 3.844 4.267 -0.423 1
1 104 . 3 1 1 A 9 9 GLY CA C 9 46.491 45.733 0.758 1
1 105 . 3 1 1 A 9 9 GLY N N 9 108.169 109.124 -0.955 1
1 106 . 3 1 1 A 10 10 TYR H H 10 7.763 8.071 -0.308 1
1 107 . 3 1 1 A 10 10 TYR HA H 10 4.408 4.712 -0.304 1
1 114 . 3 1 1 A 10 10 TYR CA C 10 59.789 59.651 0.138 1
1 115 . 3 1 1 A 10 10 TYR CB C 10 38.316 37.872 0.444 1
1 120 . 3 1 1 A 10 10 TYR N N 10 119.911 119.874 0.037 1
1 121 . 3 1 1 A 11 11 ALA H H 11 7.899 8.396 -0.497 1
1 122 . 3 1 1 A 11 11 ALA HA H 11 4.229 4.124 0.105 1
1 126 . 3 1 1 A 11 11 ALA C C 11 179.361 179.588 -0.227 1
1 127 . 3 1 1 A 11 11 ALA CA C 11 54.791 55.214 -0.423 1
1 128 . 3 1 1 A 11 11 ALA CB C 11 17.766 18.577 -0.811 1
1 129 . 3 1 1 A 11 11 ALA N N 11 122.809 122.382 0.427 1
1 130 . 3 1 1 A 12 12 ILE H H 12 8.091 8.197 -0.106 1
1 131 . 3 1 1 A 12 12 ILE HA H 12 3.927 3.828 0.099 1
1 141 . 3 1 1 A 12 12 ILE CA C 12 64.005 65.196 -1.191 1
1 142 . 3 1 1 A 12 12 ILE CB C 12 38.109 38.079 0.030 1
1 146 . 3 1 1 A 12 12 ILE N N 12 117.663 118.681 -1.018 1
1 147 . 3 1 1 A 13 13 GLY H H 13 8.014 7.699 0.315 1
1 148 . 3 1 1 A 13 13 GLY HA2 H 13 3.974 3.809 0.165 1
1 149 . 3 1 1 A 13 13 GLY HA3 H 13 4.136 3.921 0.215 1
1 150 . 3 1 1 A 13 13 GLY N N 13 108.042 107.896 0.146 1
1 151 . 3 1 1 A 14 14 TYR H H 14 8.158 7.990 0.168 1
1 152 . 3 1 1 A 14 14 TYR HA H 14 4.310 4.039 0.271 1
1 159 . 3 1 1 A 14 14 TYR CA C 14 60.839 60.114 0.725 1
1 160 . 3 1 1 A 14 14 TYR CB C 14 38.340 38.763 -0.423 1
1 165 . 3 1 1 A 14 14 TYR N N 14 121.815 123.684 -1.869 1
1 166 . 3 1 1 A 15 15 ALA H H 15 8.233 8.084 0.149 1
1 167 . 3 1 1 A 15 15 ALA HA H 15 4.162 4.221 -0.059 1
1 171 . 3 1 1 A 15 15 ALA C C 15 179.200 180.088 -0.888 1
1 172 . 3 1 1 A 15 15 ALA CA C 15 55.091 55.065 0.026 1
1 173 . 3 1 1 A 15 15 ALA CB C 15 17.743 18.386 -0.643 1
1 174 . 3 1 1 A 15 15 ALA N N 15 123.427 121.559 1.868 1
1 175 . 3 1 1 A 16 16 PHE H H 16 8.531 8.012 0.519 1
1 176 . 3 1 1 A 16 16 PHE HA H 16 4.363 4.134 0.229 1
1 184 . 3 1 1 A 16 16 PHE CA C 16 60.569 60.089 0.480 1
1 185 . 3 1 1 A 16 16 PHE CB C 16 43.263 38.235 5.028 1
1 190 . 3 1 1 A 16 16 PHE N N 16 116.921 116.955 -0.034 1
1 191 . 3 1 1 A 17 17 GLY H H 17 8.095 9.326 -1.231 1
1 192 . 3 1 1 A 17 17 GLY HA2 H 17 3.893 3.759 0.134 1
1 193 . 3 1 1 A 17 17 GLY HA3 H 17 3.893 3.808 0.085 1
1 194 . 3 1 1 A 17 17 GLY CA C 17 46.840 46.936 -0.096 1
1 195 . 3 1 1 A 17 17 GLY N N 17 105.887 108.511 -2.624 1
1 196 . 3 1 1 A 18 18 ALA H H 18 7.858 7.481 0.377 1
1 197 . 3 1 1 A 18 18 ALA HA H 18 4.088 3.955 0.133 1
1 201 . 3 1 1 A 18 18 ALA C C 18 180.375 179.707 0.668 1
1 202 . 3 1 1 A 18 18 ALA CA C 18 55.324 54.622 0.702 1
1 203 . 3 1 1 A 18 18 ALA CB C 18 17.605 18.419 -0.814 1
1 204 . 3 1 1 A 18 18 ALA N N 18 123.999 124.808 -0.809 1
1 205 . 3 1 1 A 19 19 VAL H H 19 7.970 8.052 -0.082 1
1 206 . 3 1 1 A 19 19 VAL HA H 19 3.669 3.485 0.184 1
1 214 . 3 1 1 A 19 19 VAL CA C 19 66.502 66.579 -0.077 1
1 215 . 3 1 1 A 19 19 VAL CB C 19 31.765 31.704 0.061 1
1 218 . 3 1 1 A 19 19 VAL N N 19 119.834 118.902 0.932 1
1 219 . 3 1 1 A 20 20 GLU H H 20 8.263 7.689 0.574 1
1 220 . 3 1 1 A 20 20 GLU HA H 20 3.866 4.114 -0.248 1
1 225 . 3 1 1 A 20 20 GLU CA C 20 59.604 59.469 0.135 1
1 226 . 3 1 1 A 20 20 GLU CB C 20 27.822 29.671 -1.849 1
1 229 . 3 1 1 A 20 20 GLU N N 20 118.154 119.118 -0.964 1
1 230 . 3 1 1 A 21 21 ARG H H 21 8.007 7.698 0.309 1
1 231 . 3 1 1 A 21 21 ARG HA H 21 3.974 3.976 -0.002 1
1 238 . 3 1 1 A 21 21 ARG CA C 21 59.705 59.008 0.697 1
1 239 . 3 1 1 A 21 21 ARG CB C 21 30.141 29.662 0.479 1
1 241 . 3 1 1 A 22 22 ALA H H 22 7.930 7.944 -0.014 1
1 242 . 3 1 1 A 22 22 ALA HA H 22 4.201 4.019 0.182 1
1 246 . 3 1 1 A 22 22 ALA C C 22 180.595 179.898 0.697 1
1 247 . 3 1 1 A 22 22 ALA CA C 22 55.046 55.136 -0.090 1
1 248 . 3 1 1 A 22 22 ALA CB C 22 17.756 18.699 -0.943 1
1 249 . 3 1 1 A 22 22 ALA N N 22 122.985 121.977 1.008 1
1 250 . 3 1 1 A 23 23 VAL H H 23 8.512 7.817 0.695 1
1 251 . 3 1 1 A 23 23 VAL HA H 23 3.778 3.619 0.159 1
1 259 . 3 1 1 A 23 23 VAL CA C 23 66.053 66.448 -0.395 1
1 260 . 3 1 1 A 23 23 VAL CB C 23 32.037 31.067 0.970 1
1 263 . 3 1 1 A 23 23 VAL N N 23 119.108 117.919 1.189 1
1 264 . 3 1 1 A 24 24 LEU H H 24 8.480 8.240 0.240 1
1 265 . 3 1 1 A 24 24 LEU HA H 24 4.235 3.962 0.273 1
1 275 . 3 1 1 A 24 24 LEU CA C 24 57.204 58.008 -0.804 1
1 276 . 3 1 1 A 24 24 LEU CB C 24 41.761 41.999 -0.238 1
1 279 . 3 1 1 A 24 24 LEU N N 24 120.029 121.410 -1.381 1
1 280 . 3 1 1 A 25 25 GLY H H 25 8.146 7.948 0.198 1
1 281 . 3 1 1 A 25 25 GLY HA2 H 25 3.965 3.559 0.406 1
1 282 . 3 1 1 A 25 25 GLY HA3 H 25 4.027 3.562 0.465 1
1 283 . 3 1 1 A 25 25 GLY CA C 25 46.078 47.301 -1.223 1
1 284 . 3 1 1 A 25 25 GLY N N 25 106.295 107.076 -0.781 1
1 285 . 3 1 1 A 26 26 GLY H H 26 7.995 7.810 0.185 1
1 286 . 3 1 1 A 26 26 GLY HA2 H 26 3.891 4.073 -0.182 1
1 287 . 3 1 1 A 26 26 GLY HA3 H 26 3.891 4.080 -0.189 1
1 288 . 3 1 1 A 26 26 GLY N N 26 106.665 109.752 -3.087 1
1 289 . 3 1 1 A 27 27 SER H H 27 8.068 8.584 -0.516 1
1 290 . 3 1 1 A 27 27 SER HA H 27 4.415 5.057 -0.642 1
1 293 . 3 1 1 A 27 27 SER CB C 27 63.608 64.861 -1.253 1
1 294 . 3 1 1 A 27 27 SER N N 27 115.282 116.282 -1.000 1
1 295 . 3 1 1 A 28 28 ARG H H 28 7.987 8.574 -0.587 1
1 296 . 3 1 1 A 28 28 ARG HA H 28 4.353 4.616 -0.263 1
1 304 . 3 1 1 A 28 28 ARG CA C 28 56.445 55.324 1.121 1
1 307 . 3 1 1 A 28 28 ARG N N 28 120.986 128.077 -7.091 1
1 308 . 3 1 1 A 29 29 ASP H H 29 8.095 7.634 0.461 1
1 309 . 3 1 1 A 29 29 ASP HA H 29 4.727 4.879 -0.152 1
1 312 . 3 1 1 A 29 29 ASP C C 29 174.757 173.717 1.040 1
1 313 . 3 1 1 A 29 29 ASP CB C 29 37.688 43.986 -6.298 1
1 315 . 3 1 1 A 30 30 TYR H H 30 7.885 8.815 -0.930 1
1 316 . 3 1 1 A 30 30 TYR HA H 30 4.554 4.847 -0.293 1
1 323 . 3 1 1 A 30 30 TYR C C 30 175.274 174.536 0.738 1
1 324 . 3 1 1 A 30 30 TYR CA C 30 58.226 57.497 0.729 1
1 325 . 3 1 1 A 30 30 TYR CB C 30 38.355 39.746 -1.391 1
1 330 . 3 1 1 A 30 30 TYR N N 30 119.689 121.822 -2.133 1
1 331 . 3 1 1 A 31 31 ASN H H 31 8.081 7.847 0.234 1
1 332 . 3 1 1 A 31 31 ASN HA H 31 4.739 5.057 -0.318 1
1 337 . 3 1 1 A 31 31 ASN C C 31 174.469 174.152 0.317 1
1 338 . 3 1 1 A 31 31 ASN CA C 31 53.266 53.083 0.183 1
1 339 . 3 1 1 A 31 31 ASN CB C 31 38.838 39.989 -1.151 1
1 341 . 3 1 1 A 31 31 ASN N N 31 118.821 117.799 1.022 1
1 14 . 4 1 1 A 2 2 ARG H H 2 8.775 8.745 0.030 1
1 15 . 4 1 1 A 2 2 ARG HA H 2 4.494 4.442 0.052 1
1 23 . 4 1 1 A 2 2 ARG C C 2 175.506 175.577 -0.071 1
1 24 . 4 1 1 A 2 2 ARG CA C 2 56.406 56.060 0.346 1
1 27 . 4 1 1 A 2 2 ARG N N 2 123.489 127.212 -3.723 1
1 28 . 4 1 1 A 3 3 SER H H 3 8.406 8.299 0.107 1
1 29 . 4 1 1 A 3 3 SER HA H 3 4.600 4.605 -0.005 1
1 32 . 4 1 1 A 3 3 SER C C 3 174.478 173.549 0.929 1
1 33 . 4 1 1 A 3 3 SER CA C 3 57.797 59.421 -1.624 1
1 34 . 4 1 1 A 3 3 SER CB C 3 64.546 64.148 0.398 1
1 35 . 4 1 1 A 3 3 SER N N 3 117.028 121.011 -3.983 1
1 36 . 4 1 1 A 4 4 ARG H H 4 8.508 8.661 -0.153 1
1 37 . 4 1 1 A 4 4 ARG HA H 4 4.400 4.408 -0.008 1
1 45 . 4 1 1 A 4 4 ARG CA C 4 56.661 55.535 1.126 1
1 46 . 4 1 1 A 4 4 ARG CB C 4 30.943 28.250 2.693 1
1 49 . 4 1 1 A 4 4 ARG N N 4 122.829 122.578 0.251 1
1 50 . 4 1 1 A 5 5 LYS H H 5 8.256 7.851 0.405 1
1 51 . 4 1 1 A 5 5 LYS HA H 5 4.290 4.479 -0.189 1
1 60 . 4 1 1 A 5 5 LYS CA C 5 56.843 57.121 -0.278 1
1 61 . 4 1 1 A 5 5 LYS CB C 5 32.969 35.249 -2.280 1
1 65 . 4 1 1 A 5 5 LYS N N 5 120.908 120.754 0.154 1
1 66 . 4 1 1 A 6 6 ASN H H 6 8.204 8.269 -0.065 1
1 67 . 4 1 1 A 6 6 ASN HA H 6 4.757 4.466 0.291 1
1 72 . 4 1 1 A 6 6 ASN C C 6 174.392 176.674 -2.282 1
1 73 . 4 1 1 A 6 6 ASN CA C 6 53.146 56.023 -2.877 1
1 74 . 4 1 1 A 6 6 ASN CB C 6 38.927 38.694 0.233 1
1 76 . 4 1 1 A 6 6 ASN N N 6 118.424 119.597 -1.173 1
1 78 . 4 1 1 A 7 7 GLY H H 7 8.307 8.133 0.174 1
1 79 . 4 1 1 A 7 7 GLY HA2 H 7 4.059 3.713 0.346 1
1 80 . 4 1 1 A 7 7 GLY HA3 H 7 4.094 3.908 0.186 1
1 81 . 4 1 1 A 7 7 GLY CA C 7 45.902 47.064 -1.162 1
1 82 . 4 1 1 A 7 7 GLY N N 7 108.391 105.668 2.723 1
1 83 . 4 1 1 A 8 8 ILE H H 8 7.989 8.076 -0.087 1
1 84 . 4 1 1 A 8 8 ILE HA H 8 4.126 3.845 0.281 1
1 94 . 4 1 1 A 8 8 ILE C C 8 176.811 177.780 -0.969 1
1 95 . 4 1 1 A 8 8 ILE CA C 8 63.018 65.078 -2.060 1
1 96 . 4 1 1 A 8 8 ILE CB C 8 38.402 37.802 0.600 1
1 100 . 4 1 1 A 8 8 ILE N N 8 120.369 123.780 -3.411 1
1 101 . 4 1 1 A 9 9 GLY H H 9 8.243 8.243 0.000 1
1 102 . 4 1 1 A 9 9 GLY HA2 H 9 3.844 4.221 -0.377 1
1 103 . 4 1 1 A 9 9 GLY HA3 H 9 3.844 4.253 -0.409 1
1 104 . 4 1 1 A 9 9 GLY CA C 9 46.491 45.640 0.851 1
1 105 . 4 1 1 A 9 9 GLY N N 9 108.169 109.505 -1.336 1
1 106 . 4 1 1 A 10 10 TYR H H 10 7.763 7.981 -0.218 1
1 107 . 4 1 1 A 10 10 TYR HA H 10 4.408 4.712 -0.304 1
1 114 . 4 1 1 A 10 10 TYR CA C 10 59.789 59.712 0.077 1
1 115 . 4 1 1 A 10 10 TYR CB C 10 38.316 37.966 0.350 1
1 120 . 4 1 1 A 10 10 TYR N N 10 119.911 119.347 0.564 1
1 121 . 4 1 1 A 11 11 ALA H H 11 7.899 8.356 -0.457 1
1 122 . 4 1 1 A 11 11 ALA HA H 11 4.229 4.112 0.117 1
1 126 . 4 1 1 A 11 11 ALA C C 11 179.361 180.161 -0.800 1
1 127 . 4 1 1 A 11 11 ALA CA C 11 54.791 55.246 -0.455 1
1 128 . 4 1 1 A 11 11 ALA CB C 11 17.766 18.119 -0.353 1
1 129 . 4 1 1 A 11 11 ALA N N 11 122.809 122.259 0.550 1
1 130 . 4 1 1 A 12 12 ILE H H 12 8.091 8.254 -0.163 1
1 131 . 4 1 1 A 12 12 ILE HA H 12 3.927 3.828 0.099 1
1 141 . 4 1 1 A 12 12 ILE CA C 12 64.005 65.231 -1.226 1
1 142 . 4 1 1 A 12 12 ILE CB C 12 38.109 37.975 0.134 1
1 146 . 4 1 1 A 12 12 ILE N N 12 117.663 119.080 -1.417 1
1 147 . 4 1 1 A 13 13 GLY H H 13 8.014 7.840 0.174 1
1 148 . 4 1 1 A 13 13 GLY HA2 H 13 3.974 3.804 0.170 1
1 149 . 4 1 1 A 13 13 GLY HA3 H 13 4.136 3.918 0.218 1
1 150 . 4 1 1 A 13 13 GLY N N 13 108.042 107.977 0.065 1
1 151 . 4 1 1 A 14 14 TYR H H 14 8.158 8.350 -0.192 1
1 152 . 4 1 1 A 14 14 TYR HA H 14 4.310 4.071 0.239 1
1 159 . 4 1 1 A 14 14 TYR CA C 14 60.839 60.385 0.454 1
1 160 . 4 1 1 A 14 14 TYR CB C 14 38.340 38.659 -0.319 1
1 165 . 4 1 1 A 14 14 TYR N N 14 121.815 123.643 -1.828 1
1 166 . 4 1 1 A 15 15 ALA H H 15 8.233 7.936 0.297 1
1 167 . 4 1 1 A 15 15 ALA HA H 15 4.162 4.147 0.015 1
1 171 . 4 1 1 A 15 15 ALA C C 15 179.200 180.074 -0.874 1
1 172 . 4 1 1 A 15 15 ALA CA C 15 55.091 55.099 -0.008 1
1 173 . 4 1 1 A 15 15 ALA CB C 15 17.743 18.311 -0.568 1
1 174 . 4 1 1 A 15 15 ALA N N 15 123.427 121.670 1.757 1
1 175 . 4 1 1 A 16 16 PHE H H 16 8.531 8.610 -0.079 1
1 176 . 4 1 1 A 16 16 PHE HA H 16 4.363 3.389 0.974 1
1 184 . 4 1 1 A 16 16 PHE CA C 16 60.569 57.291 3.278 1
1 185 . 4 1 1 A 16 16 PHE CB C 16 43.263 37.123 6.140 1
1 190 . 4 1 1 A 16 16 PHE N N 16 116.921 116.879 0.042 1
1 191 . 4 1 1 A 17 17 GLY H H 17 8.095 9.132 -1.037 1
1 192 . 4 1 1 A 17 17 GLY HA2 H 17 3.893 3.753 0.140 1
1 193 . 4 1 1 A 17 17 GLY HA3 H 17 3.893 3.800 0.093 1
1 194 . 4 1 1 A 17 17 GLY CA C 17 46.840 46.880 -0.040 1
1 195 . 4 1 1 A 17 17 GLY N N 17 105.887 108.155 -2.268 1
1 196 . 4 1 1 A 18 18 ALA H H 18 7.858 7.755 0.103 1
1 197 . 4 1 1 A 18 18 ALA HA H 18 4.088 3.961 0.127 1
1 201 . 4 1 1 A 18 18 ALA C C 18 180.375 179.726 0.649 1
1 202 . 4 1 1 A 18 18 ALA CA C 18 55.324 54.641 0.683 1
1 203 . 4 1 1 A 18 18 ALA CB C 18 17.605 18.436 -0.831 1
1 204 . 4 1 1 A 18 18 ALA N N 18 123.999 124.785 -0.786 1
1 205 . 4 1 1 A 19 19 VAL H H 19 7.970 8.178 -0.208 1
1 206 . 4 1 1 A 19 19 VAL HA H 19 3.669 3.509 0.160 1
1 214 . 4 1 1 A 19 19 VAL CA C 19 66.502 66.599 -0.097 1
1 215 . 4 1 1 A 19 19 VAL CB C 19 31.765 31.726 0.039 1
1 218 . 4 1 1 A 19 19 VAL N N 19 119.834 118.924 0.910 1
1 219 . 4 1 1 A 20 20 GLU H H 20 8.263 7.845 0.418 1
1 220 . 4 1 1 A 20 20 GLU HA H 20 3.866 4.135 -0.269 1
1 225 . 4 1 1 A 20 20 GLU CA C 20 59.604 59.549 0.055 1
1 226 . 4 1 1 A 20 20 GLU CB C 20 27.822 29.500 -1.678 1
1 229 . 4 1 1 A 20 20 GLU N N 20 118.154 119.365 -1.211 1
1 230 . 4 1 1 A 21 21 ARG H H 21 8.007 7.703 0.304 1
1 231 . 4 1 1 A 21 21 ARG HA H 21 3.974 4.008 -0.034 1
1 238 . 4 1 1 A 21 21 ARG CA C 21 59.705 59.048 0.657 1
1 239 . 4 1 1 A 21 21 ARG CB C 21 30.141 29.721 0.420 1
1 241 . 4 1 1 A 22 22 ALA H H 22 7.930 7.797 0.133 1
1 242 . 4 1 1 A 22 22 ALA HA H 22 4.201 4.066 0.135 1
1 246 . 4 1 1 A 22 22 ALA C C 22 180.595 180.101 0.494 1
1 247 . 4 1 1 A 22 22 ALA CA C 22 55.046 55.175 -0.129 1
1 248 . 4 1 1 A 22 22 ALA CB C 22 17.756 18.684 -0.928 1
1 249 . 4 1 1 A 22 22 ALA N N 22 122.985 121.878 1.107 1
1 250 . 4 1 1 A 23 23 VAL H H 23 8.512 7.869 0.643 1
1 251 . 4 1 1 A 23 23 VAL HA H 23 3.778 3.693 0.085 1
1 259 . 4 1 1 A 23 23 VAL CA C 23 66.053 66.524 -0.471 1
1 260 . 4 1 1 A 23 23 VAL CB C 23 32.037 31.176 0.861 1
1 263 . 4 1 1 A 23 23 VAL N N 23 119.108 117.988 1.120 1
1 264 . 4 1 1 A 24 24 LEU H H 24 8.480 7.885 0.595 1
1 265 . 4 1 1 A 24 24 LEU HA H 24 4.235 4.052 0.183 1
1 275 . 4 1 1 A 24 24 LEU CA C 24 57.204 57.938 -0.734 1
1 276 . 4 1 1 A 24 24 LEU CB C 24 41.761 42.272 -0.511 1
1 279 . 4 1 1 A 24 24 LEU N N 24 120.029 122.137 -2.108 1
1 280 . 4 1 1 A 25 25 GLY H H 25 8.146 7.162 0.984 1
1 281 . 4 1 1 A 25 25 GLY HA2 H 25 3.965 4.144 -0.179 1
1 282 . 4 1 1 A 25 25 GLY HA3 H 25 4.027 4.152 -0.125 1
1 283 . 4 1 1 A 25 25 GLY CA C 25 46.078 45.754 0.324 1
1 284 . 4 1 1 A 25 25 GLY N N 25 106.295 106.806 -0.511 1
1 285 . 4 1 1 A 26 26 GLY H H 26 7.995 8.415 -0.420 1
1 286 . 4 1 1 A 26 26 GLY HA2 H 26 3.891 4.080 -0.189 1
1 287 . 4 1 1 A 26 26 GLY HA3 H 26 3.891 4.081 -0.190 1
1 288 . 4 1 1 A 26 26 GLY N N 26 106.665 108.314 -1.649 1
1 289 . 4 1 1 A 27 27 SER H H 27 8.068 7.440 0.628 1
1 290 . 4 1 1 A 27 27 SER HA H 27 4.415 4.287 0.128 1
1 293 . 4 1 1 A 27 27 SER CB C 27 63.608 63.744 -0.136 1
1 294 . 4 1 1 A 27 27 SER N N 27 115.282 118.954 -3.672 1
1 295 . 4 1 1 A 28 28 ARG H H 28 7.987 7.878 0.109 1
1 296 . 4 1 1 A 28 28 ARG HA H 28 4.353 4.019 0.334 1
1 304 . 4 1 1 A 28 28 ARG CA C 28 56.445 56.643 -0.198 1
1 307 . 4 1 1 A 28 28 ARG N N 28 120.986 117.989 2.997 1
1 308 . 4 1 1 A 29 29 ASP H H 29 8.095 8.109 -0.014 1
1 309 . 4 1 1 A 29 29 ASP HA H 29 4.727 4.767 -0.040 1
1 312 . 4 1 1 A 29 29 ASP C C 29 174.757 173.397 1.360 1
1 313 . 4 1 1 A 29 29 ASP CB C 29 37.688 44.075 -6.387 1
1 315 . 4 1 1 A 30 30 TYR H H 30 7.885 8.495 -0.610 1
1 316 . 4 1 1 A 30 30 TYR HA H 30 4.554 4.941 -0.387 1
1 323 . 4 1 1 A 30 30 TYR C C 30 175.274 176.476 -1.202 1
1 324 . 4 1 1 A 30 30 TYR CA C 30 58.226 56.848 1.378 1
1 325 . 4 1 1 A 30 30 TYR CB C 30 38.355 38.828 -0.473 1
1 330 . 4 1 1 A 30 30 TYR N N 30 119.689 119.998 -0.309 1
1 331 . 4 1 1 A 31 31 ASN H H 31 8.081 8.270 -0.189 1
1 332 . 4 1 1 A 31 31 ASN HA H 31 4.739 4.481 0.258 1
1 337 . 4 1 1 A 31 31 ASN C C 31 174.469 175.890 -1.421 1
1 338 . 4 1 1 A 31 31 ASN CA C 31 53.266 56.346 -3.080 1
1 339 . 4 1 1 A 31 31 ASN CB C 31 38.838 38.921 -0.083 1
1 341 . 4 1 1 A 31 31 ASN N N 31 118.821 120.208 -1.387 1
1 14 . 5 1 1 A 2 2 ARG H H 2 8.775 8.934 -0.159 1
1 15 . 5 1 1 A 2 2 ARG HA H 2 4.494 5.085 -0.591 1
1 23 . 5 1 1 A 2 2 ARG C C 2 175.506 175.072 0.434 1
1 24 . 5 1 1 A 2 2 ARG CA C 2 56.406 54.218 2.188 1
1 27 . 5 1 1 A 2 2 ARG N N 2 123.489 117.718 5.771 1
1 28 . 5 1 1 A 3 3 SER H H 3 8.406 8.667 -0.261 1
1 29 . 5 1 1 A 3 3 SER HA H 3 4.600 4.734 -0.134 1
1 32 . 5 1 1 A 3 3 SER C C 3 174.478 173.666 0.812 1
1 33 . 5 1 1 A 3 3 SER CA C 3 57.797 57.001 0.796 1
1 34 . 5 1 1 A 3 3 SER CB C 3 64.546 64.245 0.301 1
1 35 . 5 1 1 A 3 3 SER N N 3 117.028 115.096 1.932 1
1 36 . 5 1 1 A 4 4 ARG H H 4 8.508 7.974 0.534 1
1 37 . 5 1 1 A 4 4 ARG HA H 4 4.400 3.975 0.425 1
1 45 . 5 1 1 A 4 4 ARG CA C 4 56.661 57.242 -0.581 1
1 46 . 5 1 1 A 4 4 ARG CB C 4 30.943 28.996 1.947 1
1 49 . 5 1 1 A 4 4 ARG N N 4 122.829 119.146 3.683 1
1 50 . 5 1 1 A 5 5 LYS H H 5 8.256 7.958 0.298 1
1 51 . 5 1 1 A 5 5 LYS HA H 5 4.290 4.566 -0.276 1
1 60 . 5 1 1 A 5 5 LYS CA C 5 56.843 57.391 -0.548 1
1 61 . 5 1 1 A 5 5 LYS CB C 5 32.969 35.430 -2.461 1
1 65 . 5 1 1 A 5 5 LYS N N 5 120.908 119.119 1.789 1
1 66 . 5 1 1 A 6 6 ASN H H 6 8.204 8.275 -0.071 1
1 67 . 5 1 1 A 6 6 ASN HA H 6 4.757 4.417 0.340 1
1 72 . 5 1 1 A 6 6 ASN C C 6 174.392 175.820 -1.428 1
1 73 . 5 1 1 A 6 6 ASN CA C 6 53.146 55.647 -2.501 1
1 74 . 5 1 1 A 6 6 ASN CB C 6 38.927 38.330 0.597 1
1 76 . 5 1 1 A 6 6 ASN N N 6 118.424 119.171 -0.747 1
1 78 . 5 1 1 A 7 7 GLY H H 7 8.307 7.836 0.471 1
1 79 . 5 1 1 A 7 7 GLY HA2 H 7 4.059 3.721 0.338 1
1 80 . 5 1 1 A 7 7 GLY HA3 H 7 4.094 3.908 0.186 1
1 81 . 5 1 1 A 7 7 GLY CA C 7 45.902 46.748 -0.846 1
1 82 . 5 1 1 A 7 7 GLY N N 7 108.391 105.367 3.024 1
1 83 . 5 1 1 A 8 8 ILE H H 8 7.989 8.220 -0.231 1
1 84 . 5 1 1 A 8 8 ILE HA H 8 4.126 3.849 0.277 1
1 94 . 5 1 1 A 8 8 ILE C C 8 176.811 177.438 -0.627 1
1 95 . 5 1 1 A 8 8 ILE CA C 8 63.018 65.173 -2.155 1
1 96 . 5 1 1 A 8 8 ILE CB C 8 38.402 37.759 0.643 1
1 100 . 5 1 1 A 8 8 ILE N N 8 120.369 123.523 -3.154 1
1 101 . 5 1 1 A 9 9 GLY H H 9 8.243 8.156 0.087 1
1 102 . 5 1 1 A 9 9 GLY HA2 H 9 3.844 4.223 -0.379 1
1 103 . 5 1 1 A 9 9 GLY HA3 H 9 3.844 4.239 -0.395 1
1 104 . 5 1 1 A 9 9 GLY CA C 9 46.491 45.562 0.929 1
1 105 . 5 1 1 A 9 9 GLY N N 9 108.169 109.532 -1.363 1
1 106 . 5 1 1 A 10 10 TYR H H 10 7.763 7.966 -0.203 1
1 107 . 5 1 1 A 10 10 TYR HA H 10 4.408 4.711 -0.303 1
1 114 . 5 1 1 A 10 10 TYR CA C 10 59.789 59.714 0.075 1
1 115 . 5 1 1 A 10 10 TYR CB C 10 38.316 37.971 0.345 1
1 120 . 5 1 1 A 10 10 TYR N N 10 119.911 119.135 0.776 1
1 121 . 5 1 1 A 11 11 ALA H H 11 7.899 8.351 -0.452 1
1 122 . 5 1 1 A 11 11 ALA HA H 11 4.229 4.079 0.150 1
1 126 . 5 1 1 A 11 11 ALA C C 11 179.361 180.221 -0.860 1
1 127 . 5 1 1 A 11 11 ALA CA C 11 54.791 55.243 -0.452 1
1 128 . 5 1 1 A 11 11 ALA CB C 11 17.766 18.110 -0.344 1
1 129 . 5 1 1 A 11 11 ALA N N 11 122.809 122.252 0.557 1
1 130 . 5 1 1 A 12 12 ILE H H 12 8.091 8.249 -0.158 1
1 131 . 5 1 1 A 12 12 ILE HA H 12 3.927 3.808 0.119 1
1 141 . 5 1 1 A 12 12 ILE CA C 12 64.005 65.216 -1.211 1
1 142 . 5 1 1 A 12 12 ILE CB C 12 38.109 37.966 0.143 1
1 146 . 5 1 1 A 12 12 ILE N N 12 117.663 119.071 -1.408 1
1 147 . 5 1 1 A 13 13 GLY H H 13 8.014 7.815 0.199 1
1 148 . 5 1 1 A 13 13 GLY HA2 H 13 3.974 3.815 0.159 1
1 149 . 5 1 1 A 13 13 GLY HA3 H 13 4.136 3.931 0.205 1
1 150 . 5 1 1 A 13 13 GLY N N 13 108.042 107.985 0.057 1
1 151 . 5 1 1 A 14 14 TYR H H 14 8.158 8.400 -0.242 1
1 152 . 5 1 1 A 14 14 TYR HA H 14 4.310 4.049 0.261 1
1 159 . 5 1 1 A 14 14 TYR CA C 14 60.839 60.407 0.432 1
1 160 . 5 1 1 A 14 14 TYR CB C 14 38.340 38.646 -0.306 1
1 165 . 5 1 1 A 14 14 TYR N N 14 121.815 123.731 -1.916 1
1 166 . 5 1 1 A 15 15 ALA H H 15 8.233 7.980 0.253 1
1 167 . 5 1 1 A 15 15 ALA HA H 15 4.162 4.145 0.017 1
1 171 . 5 1 1 A 15 15 ALA C C 15 179.200 180.113 -0.913 1
1 172 . 5 1 1 A 15 15 ALA CA C 15 55.091 55.059 0.032 1
1 173 . 5 1 1 A 15 15 ALA CB C 15 17.743 18.296 -0.553 1
1 174 . 5 1 1 A 15 15 ALA N N 15 123.427 121.626 1.801 1
1 175 . 5 1 1 A 16 16 PHE H H 16 8.531 8.632 -0.101 1
1 176 . 5 1 1 A 16 16 PHE HA H 16 4.363 3.576 0.787 1
1 184 . 5 1 1 A 16 16 PHE CA C 16 60.569 58.193 2.376 1
1 185 . 5 1 1 A 16 16 PHE CB C 16 43.263 37.555 5.708 1
1 190 . 5 1 1 A 16 16 PHE N N 16 116.921 116.865 0.056 1
1 191 . 5 1 1 A 17 17 GLY H H 17 8.095 8.939 -0.844 1
1 192 . 5 1 1 A 17 17 GLY HA2 H 17 3.893 3.754 0.139 1
1 193 . 5 1 1 A 17 17 GLY HA3 H 17 3.893 3.806 0.087 1
1 194 . 5 1 1 A 17 17 GLY CA C 17 46.840 46.781 0.059 1
1 195 . 5 1 1 A 17 17 GLY N N 17 105.887 106.330 -0.443 1
1 196 . 5 1 1 A 18 18 ALA H H 18 7.858 7.785 0.073 1
1 197 . 5 1 1 A 18 18 ALA HA H 18 4.088 3.975 0.113 1
1 201 . 5 1 1 A 18 18 ALA C C 18 180.375 179.654 0.721 1
1 202 . 5 1 1 A 18 18 ALA CA C 18 55.324 54.641 0.683 1
1 203 . 5 1 1 A 18 18 ALA CB C 18 17.605 18.439 -0.834 1
1 204 . 5 1 1 A 18 18 ALA N N 18 123.999 124.806 -0.807 1
1 205 . 5 1 1 A 19 19 VAL H H 19 7.970 8.108 -0.138 1
1 206 . 5 1 1 A 19 19 VAL HA H 19 3.669 3.539 0.130 1
1 214 . 5 1 1 A 19 19 VAL CA C 19 66.502 66.154 0.348 1
1 215 . 5 1 1 A 19 19 VAL CB C 19 31.765 31.818 -0.053 1
1 218 . 5 1 1 A 19 19 VAL N N 19 119.834 118.673 1.161 1
1 219 . 5 1 1 A 20 20 GLU H H 20 8.263 7.694 0.569 1
1 220 . 5 1 1 A 20 20 GLU HA H 20 3.866 4.145 -0.279 1
1 225 . 5 1 1 A 20 20 GLU CA C 20 59.604 59.535 0.069 1
1 226 . 5 1 1 A 20 20 GLU CB C 20 27.822 29.500 -1.678 1
1 229 . 5 1 1 A 20 20 GLU N N 20 118.154 119.513 -1.359 1
1 230 . 5 1 1 A 21 21 ARG H H 21 8.007 7.596 0.411 1
1 231 . 5 1 1 A 21 21 ARG HA H 21 3.974 3.990 -0.016 1
1 238 . 5 1 1 A 21 21 ARG CA C 21 59.705 59.035 0.670 1
1 239 . 5 1 1 A 21 21 ARG CB C 21 30.141 29.721 0.420 1
1 241 . 5 1 1 A 22 22 ALA H H 22 7.930 7.771 0.159 1
1 242 . 5 1 1 A 22 22 ALA HA H 22 4.201 4.060 0.141 1
1 246 . 5 1 1 A 22 22 ALA C C 22 180.595 180.064 0.531 1
1 247 . 5 1 1 A 22 22 ALA CA C 22 55.046 55.120 -0.074 1
1 248 . 5 1 1 A 22 22 ALA CB C 22 17.756 18.414 -0.658 1
1 249 . 5 1 1 A 22 22 ALA N N 22 122.985 121.824 1.161 1
1 250 . 5 1 1 A 23 23 VAL H H 23 8.512 7.895 0.617 1
1 251 . 5 1 1 A 23 23 VAL HA H 23 3.778 3.662 0.116 1
1 259 . 5 1 1 A 23 23 VAL CA C 23 66.053 66.596 -0.543 1
1 260 . 5 1 1 A 23 23 VAL CB C 23 32.037 31.209 0.828 1
1 263 . 5 1 1 A 23 23 VAL N N 23 119.108 117.946 1.162 1
1 264 . 5 1 1 A 24 24 LEU H H 24 8.480 8.273 0.207 1
1 265 . 5 1 1 A 24 24 LEU HA H 24 4.235 4.014 0.221 1
1 275 . 5 1 1 A 24 24 LEU CA C 24 57.204 57.884 -0.680 1
1 276 . 5 1 1 A 24 24 LEU CB C 24 41.761 41.818 -0.057 1
1 279 . 5 1 1 A 24 24 LEU N N 24 120.029 121.545 -1.516 1
1 280 . 5 1 1 A 25 25 GLY H H 25 8.146 7.710 0.436 1
1 281 . 5 1 1 A 25 25 GLY HA2 H 25 3.965 3.843 0.122 1
1 282 . 5 1 1 A 25 25 GLY HA3 H 25 4.027 3.845 0.182 1
1 283 . 5 1 1 A 25 25 GLY CA C 25 46.078 47.046 -0.968 1
1 284 . 5 1 1 A 25 25 GLY N N 25 106.295 107.234 -0.939 1
1 285 . 5 1 1 A 26 26 GLY H H 26 7.995 8.739 -0.744 1
1 286 . 5 1 1 A 26 26 GLY HA2 H 26 3.891 3.955 -0.064 1
1 287 . 5 1 1 A 26 26 GLY HA3 H 26 3.891 3.960 -0.069 1
1 288 . 5 1 1 A 26 26 GLY N N 26 106.665 107.879 -1.214 1
1 289 . 5 1 1 A 27 27 SER H H 27 8.068 7.590 0.478 1
1 290 . 5 1 1 A 27 27 SER HA H 27 4.415 5.005 -0.590 1
1 293 . 5 1 1 A 27 27 SER CB C 27 63.608 63.785 -0.177 1
1 294 . 5 1 1 A 27 27 SER N N 27 115.282 110.744 4.538 1
1 295 . 5 1 1 A 28 28 ARG H H 28 7.987 8.810 -0.823 1
1 296 . 5 1 1 A 28 28 ARG HA H 28 4.353 4.263 0.090 1
1 304 . 5 1 1 A 28 28 ARG CA C 28 56.445 57.466 -1.021 1
1 307 . 5 1 1 A 28 28 ARG N N 28 120.986 122.027 -1.041 1
1 308 . 5 1 1 A 29 29 ASP H H 29 8.095 8.008 0.087 1
1 309 . 5 1 1 A 29 29 ASP HA H 29 4.727 4.925 -0.198 1
1 312 . 5 1 1 A 29 29 ASP C C 29 174.757 175.547 -0.790 1
1 313 . 5 1 1 A 29 29 ASP CB C 29 37.688 43.578 -5.890 1
1 315 . 5 1 1 A 30 30 TYR H H 30 7.885 7.710 0.175 1
1 316 . 5 1 1 A 30 30 TYR HA H 30 4.554 4.756 -0.202 1
1 323 . 5 1 1 A 30 30 TYR C C 30 175.274 175.160 0.114 1
1 324 . 5 1 1 A 30 30 TYR CA C 30 58.226 57.346 0.880 1
1 325 . 5 1 1 A 30 30 TYR CB C 30 38.355 39.132 -0.777 1
1 330 . 5 1 1 A 30 30 TYR N N 30 119.689 116.706 2.983 1
1 331 . 5 1 1 A 31 31 ASN H H 31 8.081 7.982 0.099 1
1 332 . 5 1 1 A 31 31 ASN HA H 31 4.739 4.883 -0.144 1
1 337 . 5 1 1 A 31 31 ASN C C 31 174.469 174.518 -0.049 1
1 338 . 5 1 1 A 31 31 ASN CA C 31 53.266 54.524 -1.258 1
1 339 . 5 1 1 A 31 31 ASN CB C 31 38.838 40.545 -1.707 1
1 341 . 5 1 1 A 31 31 ASN N N 31 118.821 117.847 0.974 1
1 14 . 6 1 1 A 2 2 ARG H H 2 8.775 8.769 0.006 1
1 15 . 6 1 1 A 2 2 ARG HA H 2 4.494 4.378 0.116 1
1 23 . 6 1 1 A 2 2 ARG C C 2 175.506 175.886 -0.380 1
1 24 . 6 1 1 A 2 2 ARG CA C 2 56.406 56.670 -0.264 1
1 27 . 6 1 1 A 2 2 ARG N N 2 123.489 125.429 -1.940 1
1 28 . 6 1 1 A 3 3 SER H H 3 8.406 8.672 -0.266 1
1 29 . 6 1 1 A 3 3 SER HA H 3 4.600 4.756 -0.156 1
1 32 . 6 1 1 A 3 3 SER C C 3 174.478 173.690 0.788 1
1 33 . 6 1 1 A 3 3 SER CA C 3 57.797 57.001 0.796 1
1 34 . 6 1 1 A 3 3 SER CB C 3 64.546 64.304 0.242 1
1 35 . 6 1 1 A 3 3 SER N N 3 117.028 118.699 -1.671 1
1 36 . 6 1 1 A 4 4 ARG H H 4 8.508 8.015 0.493 1
1 37 . 6 1 1 A 4 4 ARG HA H 4 4.400 3.977 0.423 1
1 45 . 6 1 1 A 4 4 ARG CA C 4 56.661 57.103 -0.442 1
1 46 . 6 1 1 A 4 4 ARG CB C 4 30.943 29.102 1.841 1
1 49 . 6 1 1 A 4 4 ARG N N 4 122.829 119.258 3.571 1
1 50 . 6 1 1 A 5 5 LYS H H 5 8.256 7.861 0.395 1
1 51 . 6 1 1 A 5 5 LYS HA H 5 4.290 4.422 -0.132 1
1 60 . 6 1 1 A 5 5 LYS CA C 5 56.843 57.206 -0.363 1
1 61 . 6 1 1 A 5 5 LYS CB C 5 32.969 34.856 -1.887 1
1 65 . 6 1 1 A 5 5 LYS N N 5 120.908 117.199 3.709 1
1 66 . 6 1 1 A 6 6 ASN H H 6 8.204 8.088 0.116 1
1 67 . 6 1 1 A 6 6 ASN HA H 6 4.757 4.545 0.212 1
1 72 . 6 1 1 A 6 6 ASN C C 6 174.392 175.836 -1.444 1
1 73 . 6 1 1 A 6 6 ASN CA C 6 53.146 53.712 -0.566 1
1 74 . 6 1 1 A 6 6 ASN CB C 6 38.927 39.200 -0.273 1
1 76 . 6 1 1 A 6 6 ASN N N 6 118.424 117.370 1.054 1
1 78 . 6 1 1 A 7 7 GLY H H 7 8.307 7.773 0.534 1
1 79 . 6 1 1 A 7 7 GLY HA2 H 7 4.059 3.977 0.082 1
1 80 . 6 1 1 A 7 7 GLY HA3 H 7 4.094 4.000 0.094 1
1 81 . 6 1 1 A 7 7 GLY CA C 7 45.902 44.724 1.178 1
1 82 . 6 1 1 A 7 7 GLY N N 7 108.391 106.055 2.336 1
1 83 . 6 1 1 A 8 8 ILE H H 8 7.989 8.894 -0.905 1
1 84 . 6 1 1 A 8 8 ILE HA H 8 4.126 3.956 0.170 1
1 94 . 6 1 1 A 8 8 ILE C C 8 176.811 177.274 -0.463 1
1 95 . 6 1 1 A 8 8 ILE CA C 8 63.018 64.798 -1.780 1
1 96 . 6 1 1 A 8 8 ILE CB C 8 38.402 37.820 0.582 1
1 100 . 6 1 1 A 8 8 ILE N N 8 120.369 122.699 -2.330 1
1 101 . 6 1 1 A 9 9 GLY H H 9 8.243 8.107 0.136 1
1 102 . 6 1 1 A 9 9 GLY HA2 H 9 3.844 4.185 -0.341 1
1 103 . 6 1 1 A 9 9 GLY HA3 H 9 3.844 4.236 -0.392 1
1 104 . 6 1 1 A 9 9 GLY CA C 9 46.491 45.586 0.905 1
1 105 . 6 1 1 A 9 9 GLY N N 9 108.169 109.459 -1.290 1
1 106 . 6 1 1 A 10 10 TYR H H 10 7.763 8.023 -0.260 1
1 107 . 6 1 1 A 10 10 TYR HA H 10 4.408 4.724 -0.316 1
1 114 . 6 1 1 A 10 10 TYR CA C 10 59.789 59.685 0.104 1
1 115 . 6 1 1 A 10 10 TYR CB C 10 38.316 37.921 0.395 1
1 120 . 6 1 1 A 10 10 TYR N N 10 119.911 119.579 0.332 1
1 121 . 6 1 1 A 11 11 ALA H H 11 7.899 8.400 -0.501 1
1 122 . 6 1 1 A 11 11 ALA HA H 11 4.229 4.136 0.093 1
1 126 . 6 1 1 A 11 11 ALA C C 11 179.361 179.844 -0.483 1
1 127 . 6 1 1 A 11 11 ALA CA C 11 54.791 55.166 -0.375 1
1 128 . 6 1 1 A 11 11 ALA CB C 11 17.766 18.318 -0.552 1
1 129 . 6 1 1 A 11 11 ALA N N 11 122.809 122.408 0.401 1
1 130 . 6 1 1 A 12 12 ILE H H 12 8.091 8.220 -0.129 1
1 131 . 6 1 1 A 12 12 ILE HA H 12 3.927 3.814 0.113 1
1 141 . 6 1 1 A 12 12 ILE CA C 12 64.005 65.212 -1.207 1
1 142 . 6 1 1 A 12 12 ILE CB C 12 38.109 37.971 0.138 1
1 146 . 6 1 1 A 12 12 ILE N N 12 117.663 119.081 -1.418 1
1 147 . 6 1 1 A 13 13 GLY H H 13 8.014 7.893 0.121 1
1 148 . 6 1 1 A 13 13 GLY HA2 H 13 3.974 3.812 0.162 1
1 149 . 6 1 1 A 13 13 GLY HA3 H 13 4.136 3.929 0.207 1
1 150 . 6 1 1 A 13 13 GLY N N 13 108.042 107.940 0.102 1
1 151 . 6 1 1 A 14 14 TYR H H 14 8.158 7.978 0.180 1
1 152 . 6 1 1 A 14 14 TYR HA H 14 4.310 4.083 0.227 1
1 159 . 6 1 1 A 14 14 TYR CA C 14 60.839 60.390 0.449 1
1 160 . 6 1 1 A 14 14 TYR CB C 14 38.340 38.656 -0.316 1
1 165 . 6 1 1 A 14 14 TYR N N 14 121.815 123.612 -1.797 1
1 166 . 6 1 1 A 15 15 ALA H H 15 8.233 7.875 0.358 1
1 167 . 6 1 1 A 15 15 ALA HA H 15 4.162 4.141 0.021 1
1 171 . 6 1 1 A 15 15 ALA C C 15 179.200 180.042 -0.842 1
1 172 . 6 1 1 A 15 15 ALA CA C 15 55.091 55.093 -0.002 1
1 173 . 6 1 1 A 15 15 ALA CB C 15 17.743 18.234 -0.491 1
1 174 . 6 1 1 A 15 15 ALA N N 15 123.427 121.657 1.770 1
1 175 . 6 1 1 A 16 16 PHE H H 16 8.531 8.553 -0.022 1
1 176 . 6 1 1 A 16 16 PHE HA H 16 4.363 3.803 0.560 1
1 184 . 6 1 1 A 16 16 PHE CA C 16 60.569 59.294 1.275 1
1 185 . 6 1 1 A 16 16 PHE CB C 16 43.263 38.334 4.929 1
1 190 . 6 1 1 A 16 16 PHE N N 16 116.921 116.872 0.049 1
1 191 . 6 1 1 A 17 17 GLY H H 17 8.095 9.206 -1.111 1
1 192 . 6 1 1 A 17 17 GLY HA2 H 17 3.893 3.774 0.119 1
1 193 . 6 1 1 A 17 17 GLY HA3 H 17 3.893 3.815 0.078 1
1 194 . 6 1 1 A 17 17 GLY CA C 17 46.840 46.911 -0.071 1
1 195 . 6 1 1 A 17 17 GLY N N 17 105.887 108.010 -2.123 1
1 196 . 6 1 1 A 18 18 ALA H H 18 7.858 7.510 0.348 1
1 197 . 6 1 1 A 18 18 ALA HA H 18 4.088 3.963 0.125 1
1 201 . 6 1 1 A 18 18 ALA C C 18 180.375 179.722 0.653 1
1 202 . 6 1 1 A 18 18 ALA CA C 18 55.324 54.630 0.694 1
1 203 . 6 1 1 A 18 18 ALA CB C 18 17.605 18.421 -0.816 1
1 204 . 6 1 1 A 18 18 ALA N N 18 123.999 124.795 -0.796 1
1 205 . 6 1 1 A 19 19 VAL H H 19 7.970 8.453 -0.483 1
1 206 . 6 1 1 A 19 19 VAL HA H 19 3.669 3.509 0.160 1
1 214 . 6 1 1 A 19 19 VAL CA C 19 66.502 66.592 -0.090 1
1 215 . 6 1 1 A 19 19 VAL CB C 19 31.765 31.727 0.038 1
1 218 . 6 1 1 A 19 19 VAL N N 19 119.834 118.917 0.917 1
1 219 . 6 1 1 A 20 20 GLU H H 20 8.263 7.794 0.469 1
1 220 . 6 1 1 A 20 20 GLU HA H 20 3.866 4.131 -0.265 1
1 225 . 6 1 1 A 20 20 GLU CA C 20 59.604 59.522 0.082 1
1 226 . 6 1 1 A 20 20 GLU CB C 20 27.822 29.495 -1.673 1
1 229 . 6 1 1 A 20 20 GLU N N 20 118.154 119.345 -1.191 1
1 230 . 6 1 1 A 21 21 ARG H H 21 8.007 7.715 0.292 1
1 231 . 6 1 1 A 21 21 ARG HA H 21 3.974 3.969 0.005 1
1 238 . 6 1 1 A 21 21 ARG CA C 21 59.705 59.026 0.679 1
1 239 . 6 1 1 A 21 21 ARG CB C 21 30.141 29.687 0.454 1
1 241 . 6 1 1 A 22 22 ALA H H 22 7.930 7.810 0.120 1
1 242 . 6 1 1 A 22 22 ALA HA H 22 4.201 4.050 0.151 1
1 246 . 6 1 1 A 22 22 ALA C C 22 180.595 179.994 0.601 1
1 247 . 6 1 1 A 22 22 ALA CA C 22 55.046 55.171 -0.125 1
1 248 . 6 1 1 A 22 22 ALA CB C 22 17.756 18.593 -0.837 1
1 249 . 6 1 1 A 22 22 ALA N N 22 122.985 122.168 0.817 1
1 250 . 6 1 1 A 23 23 VAL H H 23 8.512 7.873 0.639 1
1 251 . 6 1 1 A 23 23 VAL HA H 23 3.778 3.678 0.100 1
1 259 . 6 1 1 A 23 23 VAL CA C 23 66.053 66.545 -0.492 1
1 260 . 6 1 1 A 23 23 VAL CB C 23 32.037 31.453 0.584 1
1 263 . 6 1 1 A 23 23 VAL N N 23 119.108 117.945 1.163 1
1 264 . 6 1 1 A 24 24 LEU H H 24 8.480 8.309 0.171 1
1 265 . 6 1 1 A 24 24 LEU HA H 24 4.235 3.976 0.259 1
1 275 . 6 1 1 A 24 24 LEU CA C 24 57.204 57.979 -0.775 1
1 276 . 6 1 1 A 24 24 LEU CB C 24 41.761 42.068 -0.307 1
1 279 . 6 1 1 A 24 24 LEU N N 24 120.029 121.250 -1.221 1
1 280 . 6 1 1 A 25 25 GLY H H 25 8.146 7.685 0.461 1
1 281 . 6 1 1 A 25 25 GLY HA2 H 25 3.965 3.940 0.025 1
1 282 . 6 1 1 A 25 25 GLY HA3 H 25 4.027 3.940 0.087 1
1 283 . 6 1 1 A 25 25 GLY CA C 25 46.078 46.827 -0.749 1
1 284 . 6 1 1 A 25 25 GLY N N 25 106.295 105.802 0.493 1
1 285 . 6 1 1 A 26 26 GLY H H 26 7.995 7.873 0.122 1
1 286 . 6 1 1 A 26 26 GLY HA2 H 26 3.891 4.194 -0.303 1
1 287 . 6 1 1 A 26 26 GLY HA3 H 26 3.891 4.196 -0.305 1
1 288 . 6 1 1 A 26 26 GLY N N 26 106.665 110.683 -4.018 1
1 289 . 6 1 1 A 27 27 SER H H 27 8.068 8.360 -0.292 1
1 290 . 6 1 1 A 27 27 SER HA H 27 4.415 4.921 -0.506 1
1 293 . 6 1 1 A 27 27 SER CB C 27 63.608 65.862 -2.254 1
1 294 . 6 1 1 A 27 27 SER N N 27 115.282 116.337 -1.055 1
1 295 . 6 1 1 A 28 28 ARG H H 28 7.987 8.743 -0.756 1
1 296 . 6 1 1 A 28 28 ARG HA H 28 4.353 4.727 -0.374 1
1 304 . 6 1 1 A 28 28 ARG CA C 28 56.445 55.433 1.012 1
1 307 . 6 1 1 A 28 28 ARG N N 28 120.986 126.714 -5.728 1
1 308 . 6 1 1 A 29 29 ASP H H 29 8.095 8.291 -0.196 1
1 309 . 6 1 1 A 29 29 ASP HA H 29 4.727 4.658 0.069 1
1 312 . 6 1 1 A 29 29 ASP C C 29 174.757 174.504 0.253 1
1 313 . 6 1 1 A 29 29 ASP CB C 29 37.688 40.602 -2.914 1
1 315 . 6 1 1 A 30 30 TYR H H 30 7.885 8.612 -0.727 1
1 316 . 6 1 1 A 30 30 TYR HA H 30 4.554 4.791 -0.237 1
1 323 . 6 1 1 A 30 30 TYR C C 30 175.274 175.906 -0.632 1
1 324 . 6 1 1 A 30 30 TYR CA C 30 58.226 56.788 1.438 1
1 325 . 6 1 1 A 30 30 TYR CB C 30 38.355 42.528 -4.173 1
1 330 . 6 1 1 A 30 30 TYR N N 30 119.689 125.248 -5.559 1
1 331 . 6 1 1 A 31 31 ASN H H 31 8.081 9.061 -0.980 1
1 332 . 6 1 1 A 31 31 ASN HA H 31 4.739 4.487 0.252 1
1 337 . 6 1 1 A 31 31 ASN C C 31 174.469 176.703 -2.234 1
1 338 . 6 1 1 A 31 31 ASN CA C 31 53.266 56.583 -3.317 1
1 339 . 6 1 1 A 31 31 ASN CB C 31 38.838 38.310 0.528 1
1 341 . 6 1 1 A 31 31 ASN N N 31 118.821 123.091 -4.270 1
1 14 . 7 1 1 A 2 2 ARG H H 2 8.775 8.648 0.127 1
1 15 . 7 1 1 A 2 2 ARG HA H 2 4.494 4.284 0.210 1
1 23 . 7 1 1 A 2 2 ARG C C 2 175.506 176.141 -0.635 1
1 24 . 7 1 1 A 2 2 ARG CA C 2 56.406 56.783 -0.377 1
1 27 . 7 1 1 A 2 2 ARG N N 2 123.489 122.059 1.430 1
1 28 . 7 1 1 A 3 3 SER H H 3 8.406 8.649 -0.243 1
1 29 . 7 1 1 A 3 3 SER HA H 3 4.600 4.521 0.079 1
1 32 . 7 1 1 A 3 3 SER C C 3 174.478 175.162 -0.684 1
1 33 . 7 1 1 A 3 3 SER CA C 3 57.797 59.013 -1.216 1
1 34 . 7 1 1 A 3 3 SER CB C 3 64.546 65.470 -0.924 1
1 35 . 7 1 1 A 3 3 SER N N 3 117.028 120.111 -3.083 1
1 36 . 7 1 1 A 4 4 ARG H H 4 8.508 8.422 0.086 1
1 37 . 7 1 1 A 4 4 ARG HA H 4 4.400 4.174 0.226 1
1 45 . 7 1 1 A 4 4 ARG CA C 4 56.661 57.590 -0.929 1
1 46 . 7 1 1 A 4 4 ARG CB C 4 30.943 29.931 1.012 1
1 49 . 7 1 1 A 4 4 ARG N N 4 122.829 118.790 4.039 1
1 50 . 7 1 1 A 5 5 LYS H H 5 8.256 7.913 0.343 1
1 51 . 7 1 1 A 5 5 LYS HA H 5 4.290 4.655 -0.365 1
1 60 . 7 1 1 A 5 5 LYS CA C 5 56.843 57.366 -0.523 1
1 61 . 7 1 1 A 5 5 LYS CB C 5 32.969 35.472 -2.503 1
1 65 . 7 1 1 A 5 5 LYS N N 5 120.908 119.725 1.183 1
1 66 . 7 1 1 A 6 6 ASN H H 6 8.204 8.399 -0.195 1
1 67 . 7 1 1 A 6 6 ASN HA H 6 4.757 4.523 0.234 1
1 72 . 7 1 1 A 6 6 ASN C C 6 174.392 177.078 -2.686 1
1 73 . 7 1 1 A 6 6 ASN CA C 6 53.146 55.582 -2.436 1
1 74 . 7 1 1 A 6 6 ASN CB C 6 38.927 37.912 1.015 1
1 76 . 7 1 1 A 6 6 ASN N N 6 118.424 118.318 0.106 1
1 78 . 7 1 1 A 7 7 GLY H H 7 8.307 8.215 0.092 1
1 79 . 7 1 1 A 7 7 GLY HA2 H 7 4.059 3.755 0.304 1
1 80 . 7 1 1 A 7 7 GLY HA3 H 7 4.094 3.873 0.221 1
1 81 . 7 1 1 A 7 7 GLY CA C 7 45.902 46.880 -0.978 1
1 82 . 7 1 1 A 7 7 GLY N N 7 108.391 106.985 1.406 1
1 83 . 7 1 1 A 8 8 ILE H H 8 7.989 8.231 -0.242 1
1 84 . 7 1 1 A 8 8 ILE HA H 8 4.126 3.938 0.188 1
1 94 . 7 1 1 A 8 8 ILE C C 8 176.811 177.511 -0.700 1
1 95 . 7 1 1 A 8 8 ILE CA C 8 63.018 65.125 -2.107 1
1 96 . 7 1 1 A 8 8 ILE CB C 8 38.402 37.788 0.614 1
1 100 . 7 1 1 A 8 8 ILE N N 8 120.369 124.044 -3.675 1
1 101 . 7 1 1 A 9 9 GLY H H 9 8.243 8.111 0.132 1
1 102 . 7 1 1 A 9 9 GLY HA2 H 9 3.844 4.249 -0.405 1
1 103 . 7 1 1 A 9 9 GLY HA3 H 9 3.844 4.289 -0.445 1
1 104 . 7 1 1 A 9 9 GLY CA C 9 46.491 45.704 0.787 1
1 105 . 7 1 1 A 9 9 GLY N N 9 108.169 109.395 -1.226 1
1 106 . 7 1 1 A 10 10 TYR H H 10 7.763 7.926 -0.163 1
1 107 . 7 1 1 A 10 10 TYR HA H 10 4.408 4.712 -0.304 1
1 114 . 7 1 1 A 10 10 TYR CA C 10 59.789 59.769 0.020 1
1 115 . 7 1 1 A 10 10 TYR CB C 10 38.316 37.719 0.597 1
1 120 . 7 1 1 A 10 10 TYR N N 10 119.911 119.254 0.657 1
1 121 . 7 1 1 A 11 11 ALA H H 11 7.899 8.392 -0.493 1
1 122 . 7 1 1 A 11 11 ALA HA H 11 4.229 4.116 0.113 1
1 126 . 7 1 1 A 11 11 ALA C C 11 179.361 179.682 -0.321 1
1 127 . 7 1 1 A 11 11 ALA CA C 11 54.791 55.278 -0.487 1
1 128 . 7 1 1 A 11 11 ALA CB C 11 17.766 18.560 -0.794 1
1 129 . 7 1 1 A 11 11 ALA N N 11 122.809 122.394 0.415 1
1 130 . 7 1 1 A 12 12 ILE H H 12 8.091 8.215 -0.124 1
1 131 . 7 1 1 A 12 12 ILE HA H 12 3.927 3.861 0.066 1
1 141 . 7 1 1 A 12 12 ILE CA C 12 64.005 65.220 -1.215 1
1 142 . 7 1 1 A 12 12 ILE CB C 12 38.109 38.084 0.025 1
1 146 . 7 1 1 A 12 12 ILE N N 12 117.663 118.388 -0.725 1
1 147 . 7 1 1 A 13 13 GLY H H 13 8.014 7.654 0.360 1
1 148 . 7 1 1 A 13 13 GLY HA2 H 13 3.974 3.800 0.174 1
1 149 . 7 1 1 A 13 13 GLY HA3 H 13 4.136 3.896 0.240 1
1 150 . 7 1 1 A 13 13 GLY N N 13 108.042 107.915 0.127 1
1 151 . 7 1 1 A 14 14 TYR H H 14 8.158 8.009 0.149 1
1 152 . 7 1 1 A 14 14 TYR HA H 14 4.310 4.037 0.273 1
1 159 . 7 1 1 A 14 14 TYR CA C 14 60.839 60.197 0.642 1
1 160 . 7 1 1 A 14 14 TYR CB C 14 38.340 38.746 -0.406 1
1 165 . 7 1 1 A 14 14 TYR N N 14 121.815 123.887 -2.072 1
1 166 . 7 1 1 A 15 15 ALA H H 15 8.233 8.120 0.113 1
1 167 . 7 1 1 A 15 15 ALA HA H 15 4.162 4.244 -0.082 1
1 171 . 7 1 1 A 15 15 ALA C C 15 179.200 179.678 -0.478 1
1 172 . 7 1 1 A 15 15 ALA CA C 15 55.091 55.059 0.032 1
1 173 . 7 1 1 A 15 15 ALA CB C 15 17.743 18.428 -0.685 1
1 174 . 7 1 1 A 15 15 ALA N N 15 123.427 121.526 1.901 1
1 175 . 7 1 1 A 16 16 PHE H H 16 8.531 8.252 0.279 1
1 176 . 7 1 1 A 16 16 PHE HA H 16 4.363 3.831 0.532 1
1 184 . 7 1 1 A 16 16 PHE CA C 16 60.569 59.342 1.227 1
1 185 . 7 1 1 A 16 16 PHE CB C 16 43.263 38.217 5.046 1
1 190 . 7 1 1 A 16 16 PHE N N 16 116.921 117.547 -0.626 1
1 191 . 7 1 1 A 17 17 GLY H H 17 8.095 8.885 -0.790 1
1 192 . 7 1 1 A 17 17 GLY HA2 H 17 3.893 3.749 0.144 1
1 193 . 7 1 1 A 17 17 GLY HA3 H 17 3.893 3.805 0.088 1
1 194 . 7 1 1 A 17 17 GLY CA C 17 46.840 46.897 -0.057 1
1 195 . 7 1 1 A 17 17 GLY N N 17 105.887 108.318 -2.431 1
1 196 . 7 1 1 A 18 18 ALA H H 18 7.858 7.448 0.410 1
1 197 . 7 1 1 A 18 18 ALA HA H 18 4.088 3.961 0.127 1
1 201 . 7 1 1 A 18 18 ALA C C 18 180.375 179.660 0.715 1
1 202 . 7 1 1 A 18 18 ALA CA C 18 55.324 54.638 0.686 1
1 203 . 7 1 1 A 18 18 ALA CB C 18 17.605 18.443 -0.838 1
1 204 . 7 1 1 A 18 18 ALA N N 18 123.999 124.774 -0.775 1
1 205 . 7 1 1 A 19 19 VAL H H 19 7.970 8.357 -0.387 1
1 206 . 7 1 1 A 19 19 VAL HA H 19 3.669 3.507 0.162 1
1 214 . 7 1 1 A 19 19 VAL CA C 19 66.502 66.114 0.388 1
1 215 . 7 1 1 A 19 19 VAL CB C 19 31.765 31.714 0.051 1
1 218 . 7 1 1 A 19 19 VAL N N 19 119.834 118.644 1.190 1
1 219 . 7 1 1 A 20 20 GLU H H 20 8.263 7.715 0.548 1
1 220 . 7 1 1 A 20 20 GLU HA H 20 3.866 4.104 -0.238 1
1 225 . 7 1 1 A 20 20 GLU CA C 20 59.604 59.531 0.073 1
1 226 . 7 1 1 A 20 20 GLU CB C 20 27.822 29.535 -1.713 1
1 229 . 7 1 1 A 20 20 GLU N N 20 118.154 119.494 -1.340 1
1 230 . 7 1 1 A 21 21 ARG H H 21 8.007 7.607 0.400 1
1 231 . 7 1 1 A 21 21 ARG HA H 21 3.974 3.991 -0.017 1
1 238 . 7 1 1 A 21 21 ARG CA C 21 59.705 59.048 0.657 1
1 239 . 7 1 1 A 21 21 ARG CB C 21 30.141 29.786 0.355 1
1 241 . 7 1 1 A 22 22 ALA H H 22 7.930 7.616 0.314 1
1 242 . 7 1 1 A 22 22 ALA HA H 22 4.201 4.054 0.147 1
1 246 . 7 1 1 A 22 22 ALA C C 22 180.595 180.269 0.326 1
1 247 . 7 1 1 A 22 22 ALA CA C 22 55.046 55.167 -0.121 1
1 248 . 7 1 1 A 22 22 ALA CB C 22 17.756 18.183 -0.427 1
1 249 . 7 1 1 A 22 22 ALA N N 22 122.985 122.023 0.962 1
1 250 . 7 1 1 A 23 23 VAL H H 23 8.512 7.844 0.668 1
1 251 . 7 1 1 A 23 23 VAL HA H 23 3.778 3.673 0.105 1
1 259 . 7 1 1 A 23 23 VAL CA C 23 66.053 66.532 -0.479 1
1 260 . 7 1 1 A 23 23 VAL CB C 23 32.037 31.422 0.615 1
1 263 . 7 1 1 A 23 23 VAL N N 23 119.108 117.978 1.130 1
1 264 . 7 1 1 A 24 24 LEU H H 24 8.480 8.486 -0.006 1
1 265 . 7 1 1 A 24 24 LEU HA H 24 4.235 3.981 0.254 1
1 275 . 7 1 1 A 24 24 LEU CA C 24 57.204 57.969 -0.765 1
1 276 . 7 1 1 A 24 24 LEU CB C 24 41.761 41.956 -0.195 1
1 279 . 7 1 1 A 24 24 LEU N N 24 120.029 121.251 -1.222 1
1 280 . 7 1 1 A 25 25 GLY H H 25 8.146 7.670 0.476 1
1 281 . 7 1 1 A 25 25 GLY HA2 H 25 3.965 3.956 0.009 1
1 282 . 7 1 1 A 25 25 GLY HA3 H 25 4.027 3.956 0.071 1
1 283 . 7 1 1 A 25 25 GLY CA C 25 46.078 46.010 0.068 1
1 284 . 7 1 1 A 25 25 GLY N N 25 106.295 106.339 -0.044 1
1 285 . 7 1 1 A 26 26 GLY H H 26 7.995 7.516 0.479 1
1 286 . 7 1 1 A 26 26 GLY HA2 H 26 3.891 4.021 -0.130 1
1 287 . 7 1 1 A 26 26 GLY HA3 H 26 3.891 4.022 -0.131 1
1 288 . 7 1 1 A 26 26 GLY N N 26 106.665 105.252 1.413 1
1 289 . 7 1 1 A 27 27 SER H H 27 8.068 8.634 -0.566 1
1 290 . 7 1 1 A 27 27 SER HA H 27 4.415 4.998 -0.583 1
1 293 . 7 1 1 A 27 27 SER CB C 27 63.608 66.296 -2.688 1
1 294 . 7 1 1 A 27 27 SER N N 27 115.282 115.381 -0.099 1
1 295 . 7 1 1 A 28 28 ARG H H 28 7.987 8.579 -0.592 1
1 296 . 7 1 1 A 28 28 ARG HA H 28 4.353 4.736 -0.383 1
1 304 . 7 1 1 A 28 28 ARG CA C 28 56.445 55.476 0.969 1
1 307 . 7 1 1 A 28 28 ARG N N 28 120.986 121.653 -0.667 1
1 308 . 7 1 1 A 29 29 ASP H H 29 8.095 7.859 0.236 1
1 309 . 7 1 1 A 29 29 ASP HA H 29 4.727 4.839 -0.112 1
1 312 . 7 1 1 A 29 29 ASP C C 29 174.757 173.941 0.816 1
1 313 . 7 1 1 A 29 29 ASP CB C 29 37.688 44.006 -6.318 1
1 315 . 7 1 1 A 30 30 TYR H H 30 7.885 8.438 -0.553 1
1 316 . 7 1 1 A 30 30 TYR HA H 30 4.554 5.242 -0.688 1
1 323 . 7 1 1 A 30 30 TYR C C 30 175.274 174.011 1.263 1
1 324 . 7 1 1 A 30 30 TYR CA C 30 58.226 56.710 1.516 1
1 325 . 7 1 1 A 30 30 TYR CB C 30 38.355 41.019 -2.664 1
1 330 . 7 1 1 A 30 30 TYR N N 30 119.689 118.296 1.393 1
1 331 . 7 1 1 A 31 31 ASN H H 31 8.081 8.708 -0.627 1
1 332 . 7 1 1 A 31 31 ASN HA H 31 4.739 5.102 -0.363 1
1 337 . 7 1 1 A 31 31 ASN C C 31 174.469 173.935 0.534 1
1 338 . 7 1 1 A 31 31 ASN CA C 31 53.266 53.260 0.006 1
1 339 . 7 1 1 A 31 31 ASN CB C 31 38.838 41.102 -2.264 1
1 341 . 7 1 1 A 31 31 ASN N N 31 118.821 118.770 0.051 1
1 14 . 8 1 1 A 2 2 ARG H H 2 8.775 8.051 0.724 1
1 15 . 8 1 1 A 2 2 ARG HA H 2 4.494 4.532 -0.038 1
1 23 . 8 1 1 A 2 2 ARG C C 2 175.506 175.125 0.381 1
1 24 . 8 1 1 A 2 2 ARG CA C 2 56.406 55.980 0.426 1
1 27 . 8 1 1 A 2 2 ARG N N 2 123.489 122.128 1.361 1
1 28 . 8 1 1 A 3 3 SER H H 3 8.406 8.892 -0.486 1
1 29 . 8 1 1 A 3 3 SER HA H 3 4.600 4.576 0.024 1
1 32 . 8 1 1 A 3 3 SER C C 3 174.478 173.631 0.847 1
1 33 . 8 1 1 A 3 3 SER CA C 3 57.797 59.456 -1.659 1
1 34 . 8 1 1 A 3 3 SER CB C 3 64.546 64.190 0.356 1
1 35 . 8 1 1 A 3 3 SER N N 3 117.028 116.010 1.018 1
1 36 . 8 1 1 A 4 4 ARG H H 4 8.508 8.673 -0.165 1
1 37 . 8 1 1 A 4 4 ARG HA H 4 4.400 4.425 -0.025 1
1 45 . 8 1 1 A 4 4 ARG CA C 4 56.661 55.528 1.133 1
1 46 . 8 1 1 A 4 4 ARG CB C 4 30.943 28.260 2.683 1
1 49 . 8 1 1 A 4 4 ARG N N 4 122.829 122.548 0.281 1
1 50 . 8 1 1 A 5 5 LYS H H 5 8.256 7.901 0.355 1
1 51 . 8 1 1 A 5 5 LYS HA H 5 4.290 4.484 -0.194 1
1 60 . 8 1 1 A 5 5 LYS CA C 5 56.843 57.133 -0.290 1
1 61 . 8 1 1 A 5 5 LYS CB C 5 32.969 35.442 -2.473 1
1 65 . 8 1 1 A 5 5 LYS N N 5 120.908 121.730 -0.822 1
1 66 . 8 1 1 A 6 6 ASN H H 6 8.204 8.326 -0.122 1
1 67 . 8 1 1 A 6 6 ASN HA H 6 4.757 4.537 0.220 1
1 72 . 8 1 1 A 6 6 ASN C C 6 174.392 175.559 -1.167 1
1 73 . 8 1 1 A 6 6 ASN CA C 6 53.146 54.417 -1.271 1
1 74 . 8 1 1 A 6 6 ASN CB C 6 38.927 39.338 -0.411 1
1 76 . 8 1 1 A 6 6 ASN N N 6 118.424 117.816 0.608 1
1 78 . 8 1 1 A 7 7 GLY H H 7 8.307 7.856 0.451 1
1 79 . 8 1 1 A 7 7 GLY HA2 H 7 4.059 3.858 0.201 1
1 80 . 8 1 1 A 7 7 GLY HA3 H 7 4.094 4.004 0.090 1
1 81 . 8 1 1 A 7 7 GLY CA C 7 45.902 45.655 0.247 1
1 82 . 8 1 1 A 7 7 GLY N N 7 108.391 106.198 2.193 1
1 83 . 8 1 1 A 8 8 ILE H H 8 7.989 8.511 -0.522 1
1 84 . 8 1 1 A 8 8 ILE HA H 8 4.126 3.872 0.254 1
1 94 . 8 1 1 A 8 8 ILE C C 8 176.811 178.318 -1.507 1
1 95 . 8 1 1 A 8 8 ILE CA C 8 63.018 65.050 -2.032 1
1 96 . 8 1 1 A 8 8 ILE CB C 8 38.402 37.878 0.524 1
1 100 . 8 1 1 A 8 8 ILE N N 8 120.369 123.148 -2.779 1
1 101 . 8 1 1 A 9 9 GLY H H 9 8.243 8.183 0.060 1
1 102 . 8 1 1 A 9 9 GLY HA2 H 9 3.844 3.825 0.019 1
1 103 . 8 1 1 A 9 9 GLY HA3 H 9 3.844 3.885 -0.041 1
1 104 . 8 1 1 A 9 9 GLY CA C 9 46.491 46.993 -0.502 1
1 105 . 8 1 1 A 9 9 GLY N N 9 108.169 108.013 0.156 1
1 106 . 8 1 1 A 10 10 TYR H H 10 7.763 8.140 -0.377 1
1 107 . 8 1 1 A 10 10 TYR HA H 10 4.408 4.798 -0.390 1
1 114 . 8 1 1 A 10 10 TYR CA C 10 59.789 58.488 1.301 1
1 115 . 8 1 1 A 10 10 TYR CB C 10 38.316 36.936 1.380 1
1 120 . 8 1 1 A 10 10 TYR N N 10 119.911 121.550 -1.639 1
1 121 . 8 1 1 A 11 11 ALA H H 11 7.899 8.130 -0.231 1
1 122 . 8 1 1 A 11 11 ALA HA H 11 4.229 4.083 0.146 1
1 126 . 8 1 1 A 11 11 ALA C C 11 179.361 179.749 -0.388 1
1 127 . 8 1 1 A 11 11 ALA CA C 11 54.791 55.208 -0.417 1
1 128 . 8 1 1 A 11 11 ALA CB C 11 17.766 18.627 -0.861 1
1 129 . 8 1 1 A 11 11 ALA N N 11 122.809 122.340 0.469 1
1 130 . 8 1 1 A 12 12 ILE H H 12 8.091 7.915 0.176 1
1 131 . 8 1 1 A 12 12 ILE HA H 12 3.927 3.798 0.129 1
1 141 . 8 1 1 A 12 12 ILE CA C 12 64.005 65.142 -1.137 1
1 142 . 8 1 1 A 12 12 ILE CB C 12 38.109 38.056 0.053 1
1 146 . 8 1 1 A 12 12 ILE N N 12 117.663 118.148 -0.485 1
1 147 . 8 1 1 A 13 13 GLY H H 13 8.014 8.243 -0.229 1
1 148 . 8 1 1 A 13 13 GLY HA2 H 13 3.974 3.817 0.157 1
1 149 . 8 1 1 A 13 13 GLY HA3 H 13 4.136 3.952 0.184 1
1 150 . 8 1 1 A 13 13 GLY N N 13 108.042 107.897 0.145 1
1 151 . 8 1 1 A 14 14 TYR H H 14 8.158 8.087 0.071 1
1 152 . 8 1 1 A 14 14 TYR HA H 14 4.310 4.070 0.240 1
1 159 . 8 1 1 A 14 14 TYR CA C 14 60.839 60.343 0.496 1
1 160 . 8 1 1 A 14 14 TYR CB C 14 38.340 38.601 -0.261 1
1 165 . 8 1 1 A 14 14 TYR N N 14 121.815 123.698 -1.883 1
1 166 . 8 1 1 A 15 15 ALA H H 15 8.233 7.976 0.257 1
1 167 . 8 1 1 A 15 15 ALA HA H 15 4.162 4.181 -0.019 1
1 171 . 8 1 1 A 15 15 ALA C C 15 179.200 180.107 -0.907 1
1 172 . 8 1 1 A 15 15 ALA CA C 15 55.091 55.026 0.065 1
1 173 . 8 1 1 A 15 15 ALA CB C 15 17.743 18.362 -0.619 1
1 174 . 8 1 1 A 15 15 ALA N N 15 123.427 121.576 1.851 1
1 175 . 8 1 1 A 16 16 PHE H H 16 8.531 8.135 0.396 1
1 176 . 8 1 1 A 16 16 PHE HA H 16 4.363 3.976 0.387 1
1 184 . 8 1 1 A 16 16 PHE CA C 16 60.569 59.508 1.061 1
1 185 . 8 1 1 A 16 16 PHE CB C 16 43.263 38.232 5.031 1
1 190 . 8 1 1 A 16 16 PHE N N 16 116.921 116.782 0.139 1
1 191 . 8 1 1 A 17 17 GLY H H 17 8.095 9.196 -1.101 1
1 192 . 8 1 1 A 17 17 GLY HA2 H 17 3.893 3.772 0.121 1
1 193 . 8 1 1 A 17 17 GLY HA3 H 17 3.893 3.818 0.075 1
1 194 . 8 1 1 A 17 17 GLY CA C 17 46.840 46.867 -0.027 1
1 195 . 8 1 1 A 17 17 GLY N N 17 105.887 108.520 -2.633 1
1 196 . 8 1 1 A 18 18 ALA H H 18 7.858 7.514 0.344 1
1 197 . 8 1 1 A 18 18 ALA HA H 18 4.088 3.945 0.143 1
1 201 . 8 1 1 A 18 18 ALA C C 18 180.375 179.714 0.661 1
1 202 . 8 1 1 A 18 18 ALA CA C 18 55.324 54.625 0.699 1
1 203 . 8 1 1 A 18 18 ALA CB C 18 17.605 18.418 -0.813 1
1 204 . 8 1 1 A 18 18 ALA N N 18 123.999 124.776 -0.777 1
1 205 . 8 1 1 A 19 19 VAL H H 19 7.970 8.303 -0.333 1
1 206 . 8 1 1 A 19 19 VAL HA H 19 3.669 3.514 0.155 1
1 214 . 8 1 1 A 19 19 VAL CA C 19 66.502 66.218 0.284 1
1 215 . 8 1 1 A 19 19 VAL CB C 19 31.765 31.835 -0.070 1
1 218 . 8 1 1 A 19 19 VAL N N 19 119.834 118.913 0.921 1
1 219 . 8 1 1 A 20 20 GLU H H 20 8.263 7.740 0.523 1
1 220 . 8 1 1 A 20 20 GLU HA H 20 3.866 4.140 -0.274 1
1 225 . 8 1 1 A 20 20 GLU CA C 20 59.604 59.533 0.071 1
1 226 . 8 1 1 A 20 20 GLU CB C 20 27.822 29.506 -1.684 1
1 229 . 8 1 1 A 20 20 GLU N N 20 118.154 119.473 -1.319 1
1 230 . 8 1 1 A 21 21 ARG H H 21 8.007 7.638 0.369 1
1 231 . 8 1 1 A 21 21 ARG HA H 21 3.974 3.959 0.015 1
1 238 . 8 1 1 A 21 21 ARG CA C 21 59.705 59.048 0.657 1
1 239 . 8 1 1 A 21 21 ARG CB C 21 30.141 29.981 0.160 1
1 241 . 8 1 1 A 22 22 ALA H H 22 7.930 7.962 -0.032 1
1 242 . 8 1 1 A 22 22 ALA HA H 22 4.201 4.040 0.161 1
1 246 . 8 1 1 A 22 22 ALA C C 22 180.595 179.906 0.689 1
1 247 . 8 1 1 A 22 22 ALA CA C 22 55.046 55.171 -0.125 1
1 248 . 8 1 1 A 22 22 ALA CB C 22 17.756 18.585 -0.829 1
1 249 . 8 1 1 A 22 22 ALA N N 22 122.985 122.366 0.619 1
1 250 . 8 1 1 A 23 23 VAL H H 23 8.512 7.885 0.627 1
1 251 . 8 1 1 A 23 23 VAL HA H 23 3.778 3.677 0.101 1
1 259 . 8 1 1 A 23 23 VAL CA C 23 66.053 66.613 -0.560 1
1 260 . 8 1 1 A 23 23 VAL CB C 23 32.037 31.228 0.809 1
1 263 . 8 1 1 A 23 23 VAL N N 23 119.108 117.938 1.170 1
1 264 . 8 1 1 A 24 24 LEU H H 24 8.480 8.335 0.145 1
1 265 . 8 1 1 A 24 24 LEU HA H 24 4.235 3.940 0.295 1
1 275 . 8 1 1 A 24 24 LEU CA C 24 57.204 57.952 -0.748 1
1 276 . 8 1 1 A 24 24 LEU CB C 24 41.761 41.960 -0.199 1
1 279 . 8 1 1 A 24 24 LEU N N 24 120.029 121.445 -1.416 1
1 280 . 8 1 1 A 25 25 GLY H H 25 8.146 7.636 0.510 1
1 281 . 8 1 1 A 25 25 GLY HA2 H 25 3.965 3.776 0.189 1
1 282 . 8 1 1 A 25 25 GLY HA3 H 25 4.027 3.778 0.249 1
1 283 . 8 1 1 A 25 25 GLY CA C 25 46.078 46.446 -0.368 1
1 284 . 8 1 1 A 25 25 GLY N N 25 106.295 106.127 0.168 1
1 285 . 8 1 1 A 26 26 GLY H H 26 7.995 7.864 0.131 1
1 286 . 8 1 1 A 26 26 GLY HA2 H 26 3.891 4.059 -0.168 1
1 287 . 8 1 1 A 26 26 GLY HA3 H 26 3.891 4.065 -0.174 1
1 288 . 8 1 1 A 26 26 GLY N N 26 106.665 105.821 0.844 1
1 289 . 8 1 1 A 27 27 SER H H 27 8.068 8.234 -0.166 1
1 290 . 8 1 1 A 27 27 SER HA H 27 4.415 4.980 -0.565 1
1 293 . 8 1 1 A 27 27 SER CB C 27 63.608 64.332 -0.724 1
1 294 . 8 1 1 A 27 27 SER N N 27 115.282 117.898 -2.616 1
1 295 . 8 1 1 A 28 28 ARG H H 28 7.987 8.604 -0.617 1
1 296 . 8 1 1 A 28 28 ARG HA H 28 4.353 4.280 0.073 1
1 304 . 8 1 1 A 28 28 ARG CA C 28 56.445 56.171 0.274 1
1 307 . 8 1 1 A 28 28 ARG N N 28 120.986 124.122 -3.136 1
1 308 . 8 1 1 A 29 29 ASP H H 29 8.095 8.375 -0.280 1
1 309 . 8 1 1 A 29 29 ASP HA H 29 4.727 4.620 0.107 1
1 312 . 8 1 1 A 29 29 ASP C C 29 174.757 174.280 0.477 1
1 313 . 8 1 1 A 29 29 ASP CB C 29 37.688 43.754 -6.066 1
1 315 . 8 1 1 A 30 30 TYR H H 30 7.885 8.375 -0.490 1
1 316 . 8 1 1 A 30 30 TYR HA H 30 4.554 4.126 0.428 1
1 323 . 8 1 1 A 30 30 TYR C C 30 175.274 176.745 -1.471 1
1 324 . 8 1 1 A 30 30 TYR CA C 30 58.226 58.419 -0.193 1
1 325 . 8 1 1 A 30 30 TYR CB C 30 38.355 36.200 2.155 1
1 330 . 8 1 1 A 30 30 TYR N N 30 119.689 118.722 0.967 1
1 331 . 8 1 1 A 31 31 ASN H H 31 8.081 8.285 -0.204 1
1 332 . 8 1 1 A 31 31 ASN HA H 31 4.739 4.411 0.328 1
1 337 . 8 1 1 A 31 31 ASN C C 31 174.469 175.639 -1.170 1
1 338 . 8 1 1 A 31 31 ASN CA C 31 53.266 55.849 -2.583 1
1 339 . 8 1 1 A 31 31 ASN CB C 31 38.838 38.528 0.310 1
1 341 . 8 1 1 A 31 31 ASN N N 31 118.821 117.769 1.052 1
1 14 . 9 1 1 A 2 2 ARG H H 2 8.775 8.577 0.198 1
1 15 . 9 1 1 A 2 2 ARG HA H 2 4.494 4.539 -0.045 1
1 23 . 9 1 1 A 2 2 ARG C C 2 175.506 175.901 -0.395 1
1 24 . 9 1 1 A 2 2 ARG CA C 2 56.406 55.433 0.973 1
1 27 . 9 1 1 A 2 2 ARG N N 2 123.489 121.685 1.804 1
1 28 . 9 1 1 A 3 3 SER H H 3 8.406 8.492 -0.086 1
1 29 . 9 1 1 A 3 3 SER HA H 3 4.600 4.604 -0.004 1
1 32 . 9 1 1 A 3 3 SER C C 3 174.478 174.094 0.384 1
1 33 . 9 1 1 A 3 3 SER CA C 3 57.797 59.289 -1.492 1
1 34 . 9 1 1 A 3 3 SER CB C 3 64.546 65.823 -1.277 1
1 35 . 9 1 1 A 3 3 SER N N 3 117.028 121.183 -4.155 1
1 36 . 9 1 1 A 4 4 ARG H H 4 8.508 7.740 0.768 1
1 37 . 9 1 1 A 4 4 ARG HA H 4 4.400 4.284 0.116 1
1 45 . 9 1 1 A 4 4 ARG CA C 4 56.661 55.397 1.264 1
1 46 . 9 1 1 A 4 4 ARG CB C 4 30.943 28.385 2.558 1
1 49 . 9 1 1 A 4 4 ARG N N 4 122.829 120.748 2.081 1
1 50 . 9 1 1 A 5 5 LYS H H 5 8.256 7.888 0.368 1
1 51 . 9 1 1 A 5 5 LYS HA H 5 4.290 4.551 -0.261 1
1 60 . 9 1 1 A 5 5 LYS CA C 5 56.843 57.223 -0.380 1
1 61 . 9 1 1 A 5 5 LYS CB C 5 32.969 35.426 -2.457 1
1 65 . 9 1 1 A 5 5 LYS N N 5 120.908 122.365 -1.457 1
1 66 . 9 1 1 A 6 6 ASN H H 6 8.204 8.421 -0.217 1
1 67 . 9 1 1 A 6 6 ASN HA H 6 4.757 4.579 0.178 1
1 72 . 9 1 1 A 6 6 ASN C C 6 174.392 176.604 -2.212 1
1 73 . 9 1 1 A 6 6 ASN CA C 6 53.146 55.695 -2.549 1
1 74 . 9 1 1 A 6 6 ASN CB C 6 38.927 38.135 0.792 1
1 76 . 9 1 1 A 6 6 ASN N N 6 118.424 119.198 -0.774 1
1 78 . 9 1 1 A 7 7 GLY H H 7 8.307 8.028 0.279 1
1 79 . 9 1 1 A 7 7 GLY HA2 H 7 4.059 3.940 0.119 1
1 80 . 9 1 1 A 7 7 GLY HA3 H 7 4.094 4.019 0.075 1
1 81 . 9 1 1 A 7 7 GLY CA C 7 45.902 46.520 -0.618 1
1 82 . 9 1 1 A 7 7 GLY N N 7 108.391 106.664 1.727 1
1 83 . 9 1 1 A 8 8 ILE H H 8 7.989 8.045 -0.056 1
1 84 . 9 1 1 A 8 8 ILE HA H 8 4.126 3.795 0.331 1
1 94 . 9 1 1 A 8 8 ILE C C 8 176.811 178.394 -1.583 1
1 95 . 9 1 1 A 8 8 ILE CA C 8 63.018 65.326 -2.308 1
1 96 . 9 1 1 A 8 8 ILE CB C 8 38.402 38.092 0.310 1
1 100 . 9 1 1 A 8 8 ILE N N 8 120.369 125.055 -4.686 1
1 101 . 9 1 1 A 9 9 GLY H H 9 8.243 8.228 0.015 1
1 102 . 9 1 1 A 9 9 GLY HA2 H 9 3.844 3.817 0.027 1
1 103 . 9 1 1 A 9 9 GLY HA3 H 9 3.844 3.871 -0.027 1
1 104 . 9 1 1 A 9 9 GLY CA C 9 46.491 46.849 -0.358 1
1 105 . 9 1 1 A 9 9 GLY N N 9 108.169 108.330 -0.161 1
1 106 . 9 1 1 A 10 10 TYR H H 10 7.763 8.131 -0.368 1
1 107 . 9 1 1 A 10 10 TYR HA H 10 4.408 4.768 -0.360 1
1 114 . 9 1 1 A 10 10 TYR CA C 10 59.789 58.838 0.951 1
1 115 . 9 1 1 A 10 10 TYR CB C 10 38.316 37.178 1.138 1
1 120 . 9 1 1 A 10 10 TYR N N 10 119.911 121.554 -1.643 1
1 121 . 9 1 1 A 11 11 ALA H H 11 7.899 7.980 -0.081 1
1 122 . 9 1 1 A 11 11 ALA HA H 11 4.229 4.100 0.129 1
1 126 . 9 1 1 A 11 11 ALA C C 11 179.361 179.912 -0.551 1
1 127 . 9 1 1 A 11 11 ALA CA C 11 54.791 55.136 -0.345 1
1 128 . 9 1 1 A 11 11 ALA CB C 11 17.766 18.655 -0.889 1
1 129 . 9 1 1 A 11 11 ALA N N 11 122.809 122.266 0.543 1
1 130 . 9 1 1 A 12 12 ILE H H 12 8.091 7.913 0.178 1
1 131 . 9 1 1 A 12 12 ILE HA H 12 3.927 3.824 0.103 1
1 141 . 9 1 1 A 12 12 ILE CA C 12 64.005 65.174 -1.169 1
1 142 . 9 1 1 A 12 12 ILE CB C 12 38.109 38.048 0.061 1
1 146 . 9 1 1 A 12 12 ILE N N 12 117.663 117.931 -0.268 1
1 147 . 9 1 1 A 13 13 GLY H H 13 8.014 8.116 -0.102 1
1 148 . 9 1 1 A 13 13 GLY HA2 H 13 3.974 3.792 0.182 1
1 149 . 9 1 1 A 13 13 GLY HA3 H 13 4.136 3.903 0.233 1
1 150 . 9 1 1 A 13 13 GLY N N 13 108.042 107.940 0.102 1
1 151 . 9 1 1 A 14 14 TYR H H 14 8.158 8.092 0.066 1
1 152 . 9 1 1 A 14 14 TYR HA H 14 4.310 4.051 0.259 1
1 159 . 9 1 1 A 14 14 TYR CA C 14 60.839 60.129 0.710 1
1 160 . 9 1 1 A 14 14 TYR CB C 14 38.340 38.769 -0.429 1
1 165 . 9 1 1 A 14 14 TYR N N 14 121.815 123.701 -1.886 1
1 166 . 9 1 1 A 15 15 ALA H H 15 8.233 8.014 0.219 1
1 167 . 9 1 1 A 15 15 ALA HA H 15 4.162 4.199 -0.037 1
1 171 . 9 1 1 A 15 15 ALA C C 15 179.200 179.598 -0.398 1
1 172 . 9 1 1 A 15 15 ALA CA C 15 55.091 55.056 0.035 1
1 173 . 9 1 1 A 15 15 ALA CB C 15 17.743 18.317 -0.574 1
1 174 . 9 1 1 A 15 15 ALA N N 15 123.427 121.508 1.919 1
1 175 . 9 1 1 A 16 16 PHE H H 16 8.531 8.069 0.462 1
1 176 . 9 1 1 A 16 16 PHE HA H 16 4.363 4.011 0.352 1
1 184 . 9 1 1 A 16 16 PHE CA C 16 60.569 60.064 0.505 1
1 185 . 9 1 1 A 16 16 PHE CB C 16 43.263 38.472 4.791 1
1 190 . 9 1 1 A 16 16 PHE N N 16 116.921 117.807 -0.886 1
1 191 . 9 1 1 A 17 17 GLY H H 17 8.095 9.094 -0.999 1
1 192 . 9 1 1 A 17 17 GLY HA2 H 17 3.893 3.800 0.093 1
1 193 . 9 1 1 A 17 17 GLY HA3 H 17 3.893 3.848 0.045 1
1 194 . 9 1 1 A 17 17 GLY CA C 17 46.840 46.932 -0.092 1
1 195 . 9 1 1 A 17 17 GLY N N 17 105.887 107.600 -1.713 1
1 196 . 9 1 1 A 18 18 ALA H H 18 7.858 7.518 0.340 1
1 197 . 9 1 1 A 18 18 ALA HA H 18 4.088 3.961 0.127 1
1 201 . 9 1 1 A 18 18 ALA C C 18 180.375 179.720 0.655 1
1 202 . 9 1 1 A 18 18 ALA CA C 18 55.324 54.627 0.697 1
1 203 . 9 1 1 A 18 18 ALA CB C 18 17.605 18.422 -0.817 1
1 204 . 9 1 1 A 18 18 ALA N N 18 123.999 124.850 -0.851 1
1 205 . 9 1 1 A 19 19 VAL H H 19 7.970 8.192 -0.222 1
1 206 . 9 1 1 A 19 19 VAL HA H 19 3.669 3.518 0.151 1
1 214 . 9 1 1 A 19 19 VAL CA C 19 66.502 66.193 0.309 1
1 215 . 9 1 1 A 19 19 VAL CB C 19 31.765 31.695 0.070 1
1 218 . 9 1 1 A 19 19 VAL N N 19 119.834 118.900 0.934 1
1 219 . 9 1 1 A 20 20 GLU H H 20 8.263 7.714 0.549 1
1 220 . 9 1 1 A 20 20 GLU HA H 20 3.866 4.148 -0.282 1
1 225 . 9 1 1 A 20 20 GLU CA C 20 59.604 59.504 0.100 1
1 226 . 9 1 1 A 20 20 GLU CB C 20 27.822 29.690 -1.868 1
1 229 . 9 1 1 A 20 20 GLU N N 20 118.154 119.469 -1.315 1
1 230 . 9 1 1 A 21 21 ARG H H 21 8.007 7.619 0.388 1
1 231 . 9 1 1 A 21 21 ARG HA H 21 3.974 3.978 -0.004 1
1 238 . 9 1 1 A 21 21 ARG CA C 21 59.705 58.978 0.727 1
1 239 . 9 1 1 A 21 21 ARG CB C 21 30.141 29.717 0.424 1
1 241 . 9 1 1 A 22 22 ALA H H 22 7.930 8.000 -0.070 1
1 242 . 9 1 1 A 22 22 ALA HA H 22 4.201 4.030 0.171 1
1 246 . 9 1 1 A 22 22 ALA C C 22 180.595 179.962 0.633 1
1 247 . 9 1 1 A 22 22 ALA CA C 22 55.046 55.142 -0.096 1
1 248 . 9 1 1 A 22 22 ALA CB C 22 17.756 18.401 -0.645 1
1 249 . 9 1 1 A 22 22 ALA N N 22 122.985 122.145 0.840 1
1 250 . 9 1 1 A 23 23 VAL H H 23 8.512 7.841 0.671 1
1 251 . 9 1 1 A 23 23 VAL HA H 23 3.778 3.672 0.106 1
1 259 . 9 1 1 A 23 23 VAL CA C 23 66.053 66.601 -0.548 1
1 260 . 9 1 1 A 23 23 VAL CB C 23 32.037 31.266 0.771 1
1 263 . 9 1 1 A 23 23 VAL N N 23 119.108 118.001 1.107 1
1 264 . 9 1 1 A 24 24 LEU H H 24 8.480 8.076 0.404 1
1 265 . 9 1 1 A 24 24 LEU HA H 24 4.235 3.997 0.238 1
1 275 . 9 1 1 A 24 24 LEU CA C 24 57.204 57.997 -0.793 1
1 276 . 9 1 1 A 24 24 LEU CB C 24 41.761 42.001 -0.240 1
1 279 . 9 1 1 A 24 24 LEU N N 24 120.029 121.418 -1.389 1
1 280 . 9 1 1 A 25 25 GLY H H 25 8.146 7.421 0.725 1
1 281 . 9 1 1 A 25 25 GLY HA2 H 25 3.965 4.083 -0.118 1
1 282 . 9 1 1 A 25 25 GLY HA3 H 25 4.027 4.089 -0.062 1
1 283 . 9 1 1 A 25 25 GLY CA C 25 46.078 45.349 0.729 1
1 284 . 9 1 1 A 25 25 GLY N N 25 106.295 105.804 0.491 1
1 285 . 9 1 1 A 26 26 GLY H H 26 7.995 7.912 0.083 1
1 286 . 9 1 1 A 26 26 GLY HA2 H 26 3.891 4.050 -0.159 1
1 287 . 9 1 1 A 26 26 GLY HA3 H 26 3.891 4.051 -0.160 1
1 288 . 9 1 1 A 26 26 GLY N N 26 106.665 107.710 -1.045 1
1 289 . 9 1 1 A 27 27 SER H H 27 8.068 8.600 -0.532 1
1 290 . 9 1 1 A 27 27 SER HA H 27 4.415 4.329 0.086 1
1 293 . 9 1 1 A 27 27 SER CB C 27 63.608 63.450 0.158 1
1 294 . 9 1 1 A 27 27 SER N N 27 115.282 116.831 -1.549 1
1 295 . 9 1 1 A 28 28 ARG H H 28 7.987 7.458 0.529 1
1 296 . 9 1 1 A 28 28 ARG HA H 28 4.353 4.578 -0.225 1
1 304 . 9 1 1 A 28 28 ARG CA C 28 56.445 55.227 1.218 1
1 307 . 9 1 1 A 28 28 ARG N N 28 120.986 116.421 4.565 1
1 308 . 9 1 1 A 29 29 ASP H H 29 8.095 8.848 -0.753 1
1 309 . 9 1 1 A 29 29 ASP HA H 29 4.727 4.296 0.431 1
1 312 . 9 1 1 A 29 29 ASP C C 29 174.757 177.006 -2.249 1
1 313 . 9 1 1 A 29 29 ASP CB C 29 37.688 40.638 -2.950 1
1 315 . 9 1 1 A 30 30 TYR H H 30 7.885 7.386 0.499 1
1 316 . 9 1 1 A 30 30 TYR HA H 30 4.554 4.730 -0.176 1
1 323 . 9 1 1 A 30 30 TYR C C 30 175.274 175.564 -0.290 1
1 324 . 9 1 1 A 30 30 TYR CA C 30 58.226 57.582 0.644 1
1 325 . 9 1 1 A 30 30 TYR CB C 30 38.355 40.156 -1.801 1
1 330 . 9 1 1 A 30 30 TYR N N 30 119.689 113.227 6.462 1
1 331 . 9 1 1 A 31 31 ASN H H 31 8.081 7.439 0.642 1
1 332 . 9 1 1 A 31 31 ASN HA H 31 4.739 4.951 -0.212 1
1 337 . 9 1 1 A 31 31 ASN C C 31 174.469 174.781 -0.312 1
1 338 . 9 1 1 A 31 31 ASN CA C 31 53.266 52.396 0.870 1
1 339 . 9 1 1 A 31 31 ASN CB C 31 38.838 38.675 0.163 1
1 341 . 9 1 1 A 31 31 ASN N N 31 118.821 115.620 3.201 1
1 14 . 10 1 1 A 2 2 ARG H H 2 8.775 8.596 0.179 1
1 15 . 10 1 1 A 2 2 ARG HA H 2 4.494 4.273 0.221 1
1 23 . 10 1 1 A 2 2 ARG C C 2 175.506 176.089 -0.583 1
1 24 . 10 1 1 A 2 2 ARG CA C 2 56.406 56.431 -0.025 1
1 27 . 10 1 1 A 2 2 ARG N N 2 123.489 125.879 -2.390 1
1 28 . 10 1 1 A 3 3 SER H H 3 8.406 8.769 -0.363 1
1 29 . 10 1 1 A 3 3 SER HA H 3 4.600 4.789 -0.189 1
1 32 . 10 1 1 A 3 3 SER C C 3 174.478 174.431 0.047 1
1 33 . 10 1 1 A 3 3 SER CA C 3 57.797 57.547 0.250 1
1 34 . 10 1 1 A 3 3 SER CB C 3 64.546 64.271 0.275 1
1 35 . 10 1 1 A 3 3 SER N N 3 117.028 119.565 -2.537 1
1 36 . 10 1 1 A 4 4 ARG H H 4 8.508 7.889 0.619 1
1 37 . 10 1 1 A 4 4 ARG HA H 4 4.400 4.580 -0.180 1
1 45 . 10 1 1 A 4 4 ARG CA C 4 56.661 55.177 1.484 1
1 46 . 10 1 1 A 4 4 ARG CB C 4 30.943 31.306 -0.363 1
1 49 . 10 1 1 A 4 4 ARG N N 4 122.829 121.408 1.421 1
1 50 . 10 1 1 A 5 5 LYS H H 5 8.256 7.946 0.310 1
1 51 . 10 1 1 A 5 5 LYS HA H 5 4.290 4.462 -0.172 1
1 60 . 10 1 1 A 5 5 LYS CA C 5 56.843 57.370 -0.527 1
1 61 . 10 1 1 A 5 5 LYS CB C 5 32.969 35.276 -2.307 1
1 65 . 10 1 1 A 5 5 LYS N N 5 120.908 118.090 2.818 1
1 66 . 10 1 1 A 6 6 ASN H H 6 8.204 8.536 -0.332 1
1 67 . 10 1 1 A 6 6 ASN HA H 6 4.757 4.468 0.289 1
1 72 . 10 1 1 A 6 6 ASN C C 6 174.392 175.817 -1.425 1
1 73 . 10 1 1 A 6 6 ASN CA C 6 53.146 55.580 -2.434 1
1 74 . 10 1 1 A 6 6 ASN CB C 6 38.927 38.214 0.713 1
1 76 . 10 1 1 A 6 6 ASN N N 6 118.424 118.073 0.351 1
1 78 . 10 1 1 A 7 7 GLY H H 7 8.307 7.848 0.459 1
1 79 . 10 1 1 A 7 7 GLY HA2 H 7 4.059 3.858 0.201 1
1 80 . 10 1 1 A 7 7 GLY HA3 H 7 4.094 4.069 0.025 1
1 81 . 10 1 1 A 7 7 GLY CA C 7 45.902 45.653 0.249 1
1 82 . 10 1 1 A 7 7 GLY N N 7 108.391 105.101 3.290 1
1 83 . 10 1 1 A 8 8 ILE H H 8 7.989 8.356 -0.367 1
1 84 . 10 1 1 A 8 8 ILE HA H 8 4.126 3.848 0.278 1
1 94 . 10 1 1 A 8 8 ILE C C 8 176.811 177.545 -0.734 1
1 95 . 10 1 1 A 8 8 ILE CA C 8 63.018 65.046 -2.028 1
1 96 . 10 1 1 A 8 8 ILE CB C 8 38.402 37.864 0.538 1
1 100 . 10 1 1 A 8 8 ILE N N 8 120.369 123.231 -2.862 1
1 101 . 10 1 1 A 9 9 GLY H H 9 8.243 8.220 0.023 1
1 102 . 10 1 1 A 9 9 GLY HA2 H 9 3.844 4.200 -0.356 1
1 103 . 10 1 1 A 9 9 GLY HA3 H 9 3.844 4.229 -0.385 1
1 104 . 10 1 1 A 9 9 GLY CA C 9 46.491 45.529 0.962 1
1 105 . 10 1 1 A 9 9 GLY N N 9 108.169 109.350 -1.181 1
1 106 . 10 1 1 A 10 10 TYR H H 10 7.763 7.990 -0.227 1
1 107 . 10 1 1 A 10 10 TYR HA H 10 4.408 4.713 -0.305 1
1 114 . 10 1 1 A 10 10 TYR CA C 10 59.789 59.627 0.162 1
1 115 . 10 1 1 A 10 10 TYR CB C 10 38.316 37.836 0.480 1
1 120 . 10 1 1 A 10 10 TYR N N 10 119.911 119.231 0.680 1
1 121 . 10 1 1 A 11 11 ALA H H 11 7.899 8.391 -0.492 1
1 122 . 10 1 1 A 11 11 ALA HA H 11 4.229 4.113 0.116 1
1 126 . 10 1 1 A 11 11 ALA C C 11 179.361 179.545 -0.184 1
1 127 . 10 1 1 A 11 11 ALA CA C 11 54.791 55.233 -0.442 1
1 128 . 10 1 1 A 11 11 ALA CB C 11 17.766 18.463 -0.697 1
1 129 . 10 1 1 A 11 11 ALA N N 11 122.809 122.396 0.413 1
1 130 . 10 1 1 A 12 12 ILE H H 12 8.091 8.251 -0.160 1
1 131 . 10 1 1 A 12 12 ILE HA H 12 3.927 3.848 0.079 1
1 141 . 10 1 1 A 12 12 ILE CA C 12 64.005 65.214 -1.209 1
1 142 . 10 1 1 A 12 12 ILE CB C 12 38.109 38.095 0.014 1
1 146 . 10 1 1 A 12 12 ILE N N 12 117.663 118.681 -1.018 1
1 147 . 10 1 1 A 13 13 GLY H H 13 8.014 7.658 0.356 1
1 148 . 10 1 1 A 13 13 GLY HA2 H 13 3.974 3.811 0.163 1
1 149 . 10 1 1 A 13 13 GLY HA3 H 13 4.136 3.914 0.222 1
1 150 . 10 1 1 A 13 13 GLY N N 13 108.042 107.933 0.109 1
1 151 . 10 1 1 A 14 14 TYR H H 14 8.158 8.024 0.134 1
1 152 . 10 1 1 A 14 14 TYR HA H 14 4.310 4.045 0.265 1
1 159 . 10 1 1 A 14 14 TYR CA C 14 60.839 60.309 0.530 1
1 160 . 10 1 1 A 14 14 TYR CB C 14 38.340 38.610 -0.270 1
1 165 . 10 1 1 A 14 14 TYR N N 14 121.815 123.778 -1.963 1
1 166 . 10 1 1 A 15 15 ALA H H 15 8.233 8.109 0.124 1
1 167 . 10 1 1 A 15 15 ALA HA H 15 4.162 4.197 -0.035 1
1 171 . 10 1 1 A 15 15 ALA C C 15 179.200 180.013 -0.813 1
1 172 . 10 1 1 A 15 15 ALA CA C 15 55.091 55.069 0.022 1
1 173 . 10 1 1 A 15 15 ALA CB C 15 17.743 18.381 -0.638 1
1 174 . 10 1 1 A 15 15 ALA N N 15 123.427 121.575 1.852 1
1 175 . 10 1 1 A 16 16 PHE H H 16 8.531 8.113 0.418 1
1 176 . 10 1 1 A 16 16 PHE HA H 16 4.363 4.138 0.225 1
1 184 . 10 1 1 A 16 16 PHE CA C 16 60.569 59.799 0.770 1
1 185 . 10 1 1 A 16 16 PHE CB C 16 43.263 38.355 4.908 1
1 190 . 10 1 1 A 16 16 PHE N N 16 116.921 116.758 0.163 1
1 191 . 10 1 1 A 17 17 GLY H H 17 8.095 9.231 -1.136 1
1 192 . 10 1 1 A 17 17 GLY HA2 H 17 3.893 3.749 0.144 1
1 193 . 10 1 1 A 17 17 GLY HA3 H 17 3.893 3.800 0.093 1
1 194 . 10 1 1 A 17 17 GLY CA C 17 46.840 46.859 -0.019 1
1 195 . 10 1 1 A 17 17 GLY N N 17 105.887 107.610 -1.723 1
1 196 . 10 1 1 A 18 18 ALA H H 18 7.858 7.471 0.387 1
1 197 . 10 1 1 A 18 18 ALA HA H 18 4.088 3.956 0.132 1
1 201 . 10 1 1 A 18 18 ALA C C 18 180.375 179.706 0.669 1
1 202 . 10 1 1 A 18 18 ALA CA C 18 55.324 54.621 0.703 1
1 203 . 10 1 1 A 18 18 ALA CB C 18 17.605 18.420 -0.815 1
1 204 . 10 1 1 A 18 18 ALA N N 18 123.999 124.795 -0.796 1
1 205 . 10 1 1 A 19 19 VAL H H 19 7.970 8.031 -0.061 1
1 206 . 10 1 1 A 19 19 VAL HA H 19 3.669 3.485 0.184 1
1 214 . 10 1 1 A 19 19 VAL CA C 19 66.502 66.571 -0.069 1
1 215 . 10 1 1 A 19 19 VAL CB C 19 31.765 31.680 0.085 1
1 218 . 10 1 1 A 19 19 VAL N N 19 119.834 118.894 0.940 1
1 219 . 10 1 1 A 20 20 GLU H H 20 8.263 7.744 0.519 1
1 220 . 10 1 1 A 20 20 GLU HA H 20 3.866 4.093 -0.227 1
1 225 . 10 1 1 A 20 20 GLU CA C 20 59.604 59.520 0.084 1
1 226 . 10 1 1 A 20 20 GLU CB C 20 27.822 29.427 -1.605 1
1 229 . 10 1 1 A 20 20 GLU N N 20 118.154 119.339 -1.185 1
1 230 . 10 1 1 A 21 21 ARG H H 21 8.007 7.674 0.333 1
1 231 . 10 1 1 A 21 21 ARG HA H 21 3.974 3.969 0.005 1
1 238 . 10 1 1 A 21 21 ARG CA C 21 59.705 59.040 0.665 1
1 239 . 10 1 1 A 21 21 ARG CB C 21 30.141 29.724 0.417 1
1 241 . 10 1 1 A 22 22 ALA H H 22 7.930 7.719 0.211 1
1 242 . 10 1 1 A 22 22 ALA HA H 22 4.201 4.062 0.139 1
1 246 . 10 1 1 A 22 22 ALA C C 22 180.595 180.192 0.403 1
1 247 . 10 1 1 A 22 22 ALA CA C 22 55.046 55.133 -0.087 1
1 248 . 10 1 1 A 22 22 ALA CB C 22 17.756 18.464 -0.708 1
1 249 . 10 1 1 A 22 22 ALA N N 22 122.985 121.760 1.225 1
1 250 . 10 1 1 A 23 23 VAL H H 23 8.512 7.850 0.662 1
1 251 . 10 1 1 A 23 23 VAL HA H 23 3.778 3.657 0.121 1
1 259 . 10 1 1 A 23 23 VAL CA C 23 66.053 66.483 -0.430 1
1 260 . 10 1 1 A 23 23 VAL CB C 23 32.037 31.077 0.960 1
1 263 . 10 1 1 A 23 23 VAL N N 23 119.108 117.955 1.153 1
1 264 . 10 1 1 A 24 24 LEU H H 24 8.480 8.230 0.250 1
1 265 . 10 1 1 A 24 24 LEU HA H 24 4.235 3.974 0.261 1
1 275 . 10 1 1 A 24 24 LEU CA C 24 57.204 57.871 -0.667 1
1 276 . 10 1 1 A 24 24 LEU CB C 24 41.761 42.016 -0.255 1
1 279 . 10 1 1 A 24 24 LEU N N 24 120.029 121.617 -1.588 1
1 280 . 10 1 1 A 25 25 GLY H H 25 8.146 7.927 0.219 1
1 281 . 10 1 1 A 25 25 GLY HA2 H 25 3.965 3.953 0.012 1
1 282 . 10 1 1 A 25 25 GLY HA3 H 25 4.027 3.959 0.068 1
1 283 . 10 1 1 A 25 25 GLY CA C 25 46.078 46.785 -0.707 1
1 284 . 10 1 1 A 25 25 GLY N N 25 106.295 106.124 0.171 1
1 285 . 10 1 1 A 26 26 GLY H H 26 7.995 7.903 0.092 1
1 286 . 10 1 1 A 26 26 GLY HA2 H 26 3.891 4.103 -0.212 1
1 287 . 10 1 1 A 26 26 GLY HA3 H 26 3.891 4.106 -0.215 1
1 288 . 10 1 1 A 26 26 GLY N N 26 106.665 107.317 -0.652 1
1 289 . 10 1 1 A 27 27 SER H H 27 8.068 7.899 0.169 1
1 290 . 10 1 1 A 27 27 SER HA H 27 4.415 4.865 -0.450 1
1 293 . 10 1 1 A 27 27 SER CB C 27 63.608 64.627 -1.019 1
1 294 . 10 1 1 A 27 27 SER N N 27 115.282 114.712 0.570 1
1 295 . 10 1 1 A 28 28 ARG H H 28 7.987 8.612 -0.625 1
1 296 . 10 1 1 A 28 28 ARG HA H 28 4.353 5.002 -0.649 1
1 304 . 10 1 1 A 28 28 ARG CA C 28 56.445 55.388 1.057 1
1 307 . 10 1 1 A 28 28 ARG N N 28 120.986 124.299 -3.313 1
1 308 . 10 1 1 A 29 29 ASP H H 29 8.095 7.630 0.465 1
1 309 . 10 1 1 A 29 29 ASP HA H 29 4.727 4.311 0.416 1
1 312 . 10 1 1 A 29 29 ASP C C 29 174.757 175.896 -1.139 1
1 313 . 10 1 1 A 29 29 ASP CB C 29 37.688 40.657 -2.969 1
1 315 . 10 1 1 A 30 30 TYR H H 30 7.885 8.056 -0.171 1
1 316 . 10 1 1 A 30 30 TYR HA H 30 4.554 4.139 0.415 1
1 323 . 10 1 1 A 30 30 TYR C C 30 175.274 175.870 -0.596 1
1 324 . 10 1 1 A 30 30 TYR CA C 30 58.226 58.444 -0.218 1
1 325 . 10 1 1 A 30 30 TYR CB C 30 38.355 36.193 2.162 1
1 330 . 10 1 1 A 30 30 TYR N N 30 119.689 115.483 4.206 1
1 331 . 10 1 1 A 31 31 ASN H H 31 8.081 8.041 0.040 1
1 332 . 10 1 1 A 31 31 ASN HA H 31 4.739 4.325 0.414 1
1 337 . 10 1 1 A 31 31 ASN C C 31 174.469 175.125 -0.656 1
1 338 . 10 1 1 A 31 31 ASN CA C 31 53.266 56.385 -3.119 1
1 339 . 10 1 1 A 31 31 ASN CB C 31 38.838 39.190 -0.352 1
1 341 . 10 1 1 A 31 31 ASN N N 31 118.821 118.677 0.144 1
1 14 . 11 1 1 A 2 2 ARG H H 2 8.775 8.405 0.370 1
1 15 . 11 1 1 A 2 2 ARG HA H 2 4.494 4.975 -0.481 1
1 23 . 11 1 1 A 2 2 ARG C C 2 175.506 175.298 0.208 1
1 24 . 11 1 1 A 2 2 ARG CA C 2 56.406 54.768 1.638 1
1 27 . 11 1 1 A 2 2 ARG N N 2 123.489 124.702 -1.213 1
1 28 . 11 1 1 A 3 3 SER H H 3 8.406 8.459 -0.053 1
1 29 . 11 1 1 A 3 3 SER HA H 3 4.600 4.819 -0.219 1
1 32 . 11 1 1 A 3 3 SER C C 3 174.478 173.660 0.818 1
1 33 . 11 1 1 A 3 3 SER CA C 3 57.797 57.449 0.348 1
1 34 . 11 1 1 A 3 3 SER CB C 3 64.546 64.239 0.307 1
1 35 . 11 1 1 A 3 3 SER N N 3 117.028 119.904 -2.876 1
1 36 . 11 1 1 A 4 4 ARG H H 4 8.508 7.538 0.970 1
1 37 . 11 1 1 A 4 4 ARG HA H 4 4.400 4.457 -0.057 1
1 45 . 11 1 1 A 4 4 ARG CA C 4 56.661 55.161 1.500 1
1 46 . 11 1 1 A 4 4 ARG CB C 4 30.943 30.826 0.117 1
1 49 . 11 1 1 A 4 4 ARG N N 4 122.829 121.479 1.350 1
1 50 . 11 1 1 A 5 5 LYS H H 5 8.256 7.967 0.289 1
1 51 . 11 1 1 A 5 5 LYS HA H 5 4.290 4.511 -0.221 1
1 60 . 11 1 1 A 5 5 LYS CA C 5 56.843 57.284 -0.441 1
1 61 . 11 1 1 A 5 5 LYS CB C 5 32.969 35.414 -2.445 1
1 65 . 11 1 1 A 5 5 LYS N N 5 120.908 120.148 0.760 1
1 66 . 11 1 1 A 6 6 ASN H H 6 8.204 8.190 0.014 1
1 67 . 11 1 1 A 6 6 ASN HA H 6 4.757 4.613 0.144 1
1 72 . 11 1 1 A 6 6 ASN C C 6 174.392 175.576 -1.184 1
1 73 . 11 1 1 A 6 6 ASN CA C 6 53.146 54.439 -1.293 1
1 74 . 11 1 1 A 6 6 ASN CB C 6 38.927 39.354 -0.427 1
1 76 . 11 1 1 A 6 6 ASN N N 6 118.424 118.345 0.079 1
1 78 . 11 1 1 A 7 7 GLY H H 7 8.307 7.821 0.486 1
1 79 . 11 1 1 A 7 7 GLY HA2 H 7 4.059 3.844 0.215 1
1 80 . 11 1 1 A 7 7 GLY HA3 H 7 4.094 3.910 0.184 1
1 81 . 11 1 1 A 7 7 GLY CA C 7 45.902 46.742 -0.840 1
1 82 . 11 1 1 A 7 7 GLY N N 7 108.391 106.599 1.792 1
1 83 . 11 1 1 A 8 8 ILE H H 8 7.989 8.105 -0.116 1
1 84 . 11 1 1 A 8 8 ILE HA H 8 4.126 3.967 0.159 1
1 94 . 11 1 1 A 8 8 ILE C C 8 176.811 177.743 -0.932 1
1 95 . 11 1 1 A 8 8 ILE CA C 8 63.018 65.199 -2.181 1
1 96 . 11 1 1 A 8 8 ILE CB C 8 38.402 38.113 0.289 1
1 100 . 11 1 1 A 8 8 ILE N N 8 120.369 120.933 -0.564 1
1 101 . 11 1 1 A 9 9 GLY H H 9 8.243 8.217 0.026 1
1 102 . 11 1 1 A 9 9 GLY HA2 H 9 3.844 4.179 -0.335 1
1 103 . 11 1 1 A 9 9 GLY HA3 H 9 3.844 4.223 -0.379 1
1 104 . 11 1 1 A 9 9 GLY CA C 9 46.491 45.524 0.967 1
1 105 . 11 1 1 A 9 9 GLY N N 9 108.169 109.026 -0.857 1
1 106 . 11 1 1 A 10 10 TYR H H 10 7.763 8.010 -0.247 1
1 107 . 11 1 1 A 10 10 TYR HA H 10 4.408 4.711 -0.303 1
1 114 . 11 1 1 A 10 10 TYR CA C 10 59.789 59.703 0.086 1
1 115 . 11 1 1 A 10 10 TYR CB C 10 38.316 37.957 0.359 1
1 120 . 11 1 1 A 10 10 TYR N N 10 119.911 119.289 0.622 1
1 121 . 11 1 1 A 11 11 ALA H H 11 7.899 8.355 -0.456 1
1 122 . 11 1 1 A 11 11 ALA HA H 11 4.229 4.110 0.119 1
1 126 . 11 1 1 A 11 11 ALA C C 11 179.361 180.162 -0.801 1
1 127 . 11 1 1 A 11 11 ALA CA C 11 54.791 55.245 -0.454 1
1 128 . 11 1 1 A 11 11 ALA CB C 11 17.766 18.113 -0.347 1
1 129 . 11 1 1 A 11 11 ALA N N 11 122.809 122.252 0.557 1
1 130 . 11 1 1 A 12 12 ILE H H 12 8.091 8.249 -0.158 1
1 131 . 11 1 1 A 12 12 ILE HA H 12 3.927 3.824 0.103 1
1 141 . 11 1 1 A 12 12 ILE CA C 12 64.005 65.225 -1.220 1
1 142 . 11 1 1 A 12 12 ILE CB C 12 38.109 37.964 0.145 1
1 146 . 11 1 1 A 12 12 ILE N N 12 117.663 119.075 -1.412 1
1 147 . 11 1 1 A 13 13 GLY H H 13 8.014 7.834 0.180 1
1 148 . 11 1 1 A 13 13 GLY HA2 H 13 3.974 3.796 0.178 1
1 149 . 11 1 1 A 13 13 GLY HA3 H 13 4.136 3.910 0.226 1
1 150 . 11 1 1 A 13 13 GLY N N 13 108.042 107.948 0.094 1
1 151 . 11 1 1 A 14 14 TYR H H 14 8.158 8.380 -0.222 1
1 152 . 11 1 1 A 14 14 TYR HA H 14 4.310 4.078 0.232 1
1 159 . 11 1 1 A 14 14 TYR CA C 14 60.839 60.384 0.455 1
1 160 . 11 1 1 A 14 14 TYR CB C 14 38.340 38.662 -0.322 1
1 165 . 11 1 1 A 14 14 TYR N N 14 121.815 123.688 -1.873 1
1 166 . 11 1 1 A 15 15 ALA H H 15 8.233 7.963 0.270 1
1 167 . 11 1 1 A 15 15 ALA HA H 15 4.162 4.148 0.014 1
1 171 . 11 1 1 A 15 15 ALA C C 15 179.200 179.992 -0.792 1
1 172 . 11 1 1 A 15 15 ALA CA C 15 55.091 55.103 -0.012 1
1 173 . 11 1 1 A 15 15 ALA CB C 15 17.743 18.425 -0.682 1
1 174 . 11 1 1 A 15 15 ALA N N 15 123.427 121.633 1.794 1
1 175 . 11 1 1 A 16 16 PHE H H 16 8.531 8.476 0.055 1
1 176 . 11 1 1 A 16 16 PHE HA H 16 4.363 3.786 0.577 1
1 184 . 11 1 1 A 16 16 PHE CA C 16 60.569 59.404 1.165 1
1 185 . 11 1 1 A 16 16 PHE CB C 16 43.263 38.440 4.823 1
1 190 . 11 1 1 A 16 16 PHE N N 16 116.921 116.997 -0.076 1
1 191 . 11 1 1 A 17 17 GLY H H 17 8.095 9.075 -0.980 1
1 192 . 11 1 1 A 17 17 GLY HA2 H 17 3.893 3.768 0.125 1
1 193 . 11 1 1 A 17 17 GLY HA3 H 17 3.893 3.814 0.079 1
1 194 . 11 1 1 A 17 17 GLY CA C 17 46.840 46.910 -0.070 1
1 195 . 11 1 1 A 17 17 GLY N N 17 105.887 107.807 -1.920 1
1 196 . 11 1 1 A 18 18 ALA H H 18 7.858 7.500 0.358 1
1 197 . 11 1 1 A 18 18 ALA HA H 18 4.088 3.970 0.118 1
1 201 . 11 1 1 A 18 18 ALA C C 18 180.375 179.722 0.653 1
1 202 . 11 1 1 A 18 18 ALA CA C 18 55.324 54.637 0.687 1
1 203 . 11 1 1 A 18 18 ALA CB C 18 17.605 18.433 -0.828 1
1 204 . 11 1 1 A 18 18 ALA N N 18 123.999 124.794 -0.795 1
1 205 . 11 1 1 A 19 19 VAL H H 19 7.970 8.334 -0.364 1
1 206 . 11 1 1 A 19 19 VAL HA H 19 3.669 3.502 0.167 1
1 214 . 11 1 1 A 19 19 VAL CA C 19 66.502 66.568 -0.066 1
1 215 . 11 1 1 A 19 19 VAL CB C 19 31.765 31.734 0.031 1
1 218 . 11 1 1 A 19 19 VAL N N 19 119.834 118.923 0.911 1
1 219 . 11 1 1 A 20 20 GLU H H 20 8.263 7.750 0.513 1
1 220 . 11 1 1 A 20 20 GLU HA H 20 3.866 4.136 -0.270 1
1 225 . 11 1 1 A 20 20 GLU CA C 20 59.604 59.445 0.159 1
1 226 . 11 1 1 A 20 20 GLU CB C 20 27.822 29.804 -1.982 1
1 229 . 11 1 1 A 20 20 GLU N N 20 118.154 119.239 -1.085 1
1 230 . 11 1 1 A 21 21 ARG H H 21 8.007 7.716 0.291 1
1 231 . 11 1 1 A 21 21 ARG HA H 21 3.974 4.003 -0.029 1
1 238 . 11 1 1 A 21 21 ARG CA C 21 59.705 59.056 0.649 1
1 239 . 11 1 1 A 21 21 ARG CB C 21 30.141 29.736 0.405 1
1 241 . 11 1 1 A 22 22 ALA H H 22 7.930 8.036 -0.106 1
1 242 . 11 1 1 A 22 22 ALA HA H 22 4.201 4.070 0.131 1
1 246 . 11 1 1 A 22 22 ALA C C 22 180.595 180.056 0.539 1
1 247 . 11 1 1 A 22 22 ALA CA C 22 55.046 55.170 -0.124 1
1 248 . 11 1 1 A 22 22 ALA CB C 22 17.756 18.641 -0.885 1
1 249 . 11 1 1 A 22 22 ALA N N 22 122.985 121.818 1.167 1
1 250 . 11 1 1 A 23 23 VAL H H 23 8.512 7.861 0.651 1
1 251 . 11 1 1 A 23 23 VAL HA H 23 3.778 3.667 0.111 1
1 259 . 11 1 1 A 23 23 VAL CA C 23 66.053 66.498 -0.445 1
1 260 . 11 1 1 A 23 23 VAL CB C 23 32.037 31.206 0.831 1
1 263 . 11 1 1 A 23 23 VAL N N 23 119.108 117.967 1.141 1
1 264 . 11 1 1 A 24 24 LEU H H 24 8.480 8.117 0.363 1
1 265 . 11 1 1 A 24 24 LEU HA H 24 4.235 4.025 0.210 1
1 275 . 11 1 1 A 24 24 LEU CA C 24 57.204 57.971 -0.767 1
1 276 . 11 1 1 A 24 24 LEU CB C 24 41.761 42.215 -0.454 1
1 279 . 11 1 1 A 24 24 LEU N N 24 120.029 121.852 -1.823 1
1 280 . 11 1 1 A 25 25 GLY H H 25 8.146 7.506 0.640 1
1 281 . 11 1 1 A 25 25 GLY HA2 H 25 3.965 4.152 -0.187 1
1 282 . 11 1 1 A 25 25 GLY HA3 H 25 4.027 4.152 -0.125 1
1 283 . 11 1 1 A 25 25 GLY CA C 25 46.078 46.007 0.071 1
1 284 . 11 1 1 A 25 25 GLY N N 25 106.295 105.873 0.422 1
1 285 . 11 1 1 A 26 26 GLY H H 26 7.995 8.861 -0.866 1
1 286 . 11 1 1 A 26 26 GLY HA2 H 26 3.891 3.888 0.003 1
1 287 . 11 1 1 A 26 26 GLY HA3 H 26 3.891 3.893 -0.002 1
1 288 . 11 1 1 A 26 26 GLY N N 26 106.665 115.221 -8.556 1
1 289 . 11 1 1 A 27 27 SER H H 27 8.068 8.547 -0.479 1
1 290 . 11 1 1 A 27 27 SER HA H 27 4.415 4.751 -0.336 1
1 293 . 11 1 1 A 27 27 SER CB C 27 63.608 65.867 -2.259 1
1 294 . 11 1 1 A 27 27 SER N N 27 115.282 121.302 -6.020 1
1 295 . 11 1 1 A 28 28 ARG H H 28 7.987 8.008 -0.021 1
1 296 . 11 1 1 A 28 28 ARG HA H 28 4.353 4.153 0.200 1
1 304 . 11 1 1 A 28 28 ARG CA C 28 56.445 56.722 -0.277 1
1 307 . 11 1 1 A 28 28 ARG N N 28 120.986 118.837 2.149 1
1 308 . 11 1 1 A 29 29 ASP H H 29 8.095 8.172 -0.077 1
1 309 . 11 1 1 A 29 29 ASP HA H 29 4.727 4.948 -0.221 1
1 312 . 11 1 1 A 29 29 ASP C C 29 174.757 173.535 1.222 1
1 313 . 11 1 1 A 29 29 ASP CB C 29 37.688 44.116 -6.428 1
1 315 . 11 1 1 A 30 30 TYR H H 30 7.885 8.480 -0.595 1
1 316 . 11 1 1 A 30 30 TYR HA H 30 4.554 4.966 -0.412 1
1 323 . 11 1 1 A 30 30 TYR C C 30 175.274 174.697 0.577 1
1 324 . 11 1 1 A 30 30 TYR CA C 30 58.226 56.103 2.123 1
1 325 . 11 1 1 A 30 30 TYR CB C 30 38.355 37.903 0.452 1
1 330 . 11 1 1 A 30 30 TYR N N 30 119.689 120.055 -0.366 1
1 331 . 11 1 1 A 31 31 ASN H H 31 8.081 8.260 -0.179 1
1 332 . 11 1 1 A 31 31 ASN HA H 31 4.739 5.173 -0.434 1
1 337 . 11 1 1 A 31 31 ASN C C 31 174.469 174.158 0.311 1
1 338 . 11 1 1 A 31 31 ASN CA C 31 53.266 52.187 1.079 1
1 339 . 11 1 1 A 31 31 ASN CB C 31 38.838 38.331 0.507 1
1 341 . 11 1 1 A 31 31 ASN N N 31 118.821 117.059 1.762 1
1 14 . 12 1 1 A 2 2 ARG H H 2 8.775 8.532 0.243 1
1 15 . 12 1 1 A 2 2 ARG HA H 2 4.494 4.495 -0.001 1
1 23 . 12 1 1 A 2 2 ARG C C 2 175.506 175.636 -0.130 1
1 24 . 12 1 1 A 2 2 ARG CA C 2 56.406 55.602 0.804 1
1 27 . 12 1 1 A 2 2 ARG N N 2 123.489 121.768 1.721 1
1 28 . 12 1 1 A 3 3 SER H H 3 8.406 8.144 0.262 1
1 29 . 12 1 1 A 3 3 SER HA H 3 4.600 4.773 -0.173 1
1 32 . 12 1 1 A 3 3 SER C C 3 174.478 173.732 0.746 1
1 33 . 12 1 1 A 3 3 SER CA C 3 57.797 57.469 0.328 1
1 34 . 12 1 1 A 3 3 SER CB C 3 64.546 64.237 0.309 1
1 35 . 12 1 1 A 3 3 SER N N 3 117.028 120.539 -3.511 1
1 36 . 12 1 1 A 4 4 ARG H H 4 8.508 7.504 1.004 1
1 37 . 12 1 1 A 4 4 ARG HA H 4 4.400 4.484 -0.084 1
1 45 . 12 1 1 A 4 4 ARG CA C 4 56.661 55.537 1.124 1
1 46 . 12 1 1 A 4 4 ARG CB C 4 30.943 30.834 0.109 1
1 49 . 12 1 1 A 4 4 ARG N N 4 122.829 122.314 0.515 1
1 50 . 12 1 1 A 5 5 LYS H H 5 8.256 7.908 0.348 1
1 51 . 12 1 1 A 5 5 LYS HA H 5 4.290 4.503 -0.213 1
1 60 . 12 1 1 A 5 5 LYS CA C 5 56.843 57.329 -0.486 1
1 61 . 12 1 1 A 5 5 LYS CB C 5 32.969 35.452 -2.483 1
1 65 . 12 1 1 A 5 5 LYS N N 5 120.908 120.189 0.719 1
1 66 . 12 1 1 A 6 6 ASN H H 6 8.204 8.144 0.060 1
1 67 . 12 1 1 A 6 6 ASN HA H 6 4.757 4.644 0.113 1
1 72 . 12 1 1 A 6 6 ASN C C 6 174.392 175.576 -1.184 1
1 73 . 12 1 1 A 6 6 ASN CA C 6 53.146 53.678 -0.532 1
1 74 . 12 1 1 A 6 6 ASN CB C 6 38.927 39.114 -0.187 1
1 76 . 12 1 1 A 6 6 ASN N N 6 118.424 117.229 1.195 1
1 78 . 12 1 1 A 7 7 GLY H H 7 8.307 7.865 0.442 1
1 79 . 12 1 1 A 7 7 GLY HA2 H 7 4.059 3.823 0.236 1
1 80 . 12 1 1 A 7 7 GLY HA3 H 7 4.094 3.977 0.117 1
1 81 . 12 1 1 A 7 7 GLY CA C 7 45.902 45.533 0.369 1
1 82 . 12 1 1 A 7 7 GLY N N 7 108.391 106.303 2.088 1
1 83 . 12 1 1 A 8 8 ILE H H 8 7.989 8.265 -0.276 1
1 84 . 12 1 1 A 8 8 ILE HA H 8 4.126 3.909 0.217 1
1 94 . 12 1 1 A 8 8 ILE C C 8 176.811 177.515 -0.704 1
1 95 . 12 1 1 A 8 8 ILE CA C 8 63.018 65.058 -2.040 1
1 96 . 12 1 1 A 8 8 ILE CB C 8 38.402 37.811 0.591 1
1 100 . 12 1 1 A 8 8 ILE N N 8 120.369 121.510 -1.141 1
1 101 . 12 1 1 A 9 9 GLY H H 9 8.243 8.130 0.113 1
1 102 . 12 1 1 A 9 9 GLY HA2 H 9 3.844 4.270 -0.426 1
1 103 . 12 1 1 A 9 9 GLY HA3 H 9 3.844 4.294 -0.450 1
1 104 . 12 1 1 A 9 9 GLY CA C 9 46.491 45.735 0.756 1
1 105 . 12 1 1 A 9 9 GLY N N 9 108.169 109.448 -1.279 1
1 106 . 12 1 1 A 10 10 TYR H H 10 7.763 8.010 -0.247 1
1 107 . 12 1 1 A 10 10 TYR HA H 10 4.408 4.692 -0.284 1
1 114 . 12 1 1 A 10 10 TYR CA C 10 59.789 59.703 0.086 1
1 115 . 12 1 1 A 10 10 TYR CB C 10 38.316 37.910 0.406 1
1 120 . 12 1 1 A 10 10 TYR N N 10 119.911 119.329 0.582 1
1 121 . 12 1 1 A 11 11 ALA H H 11 7.899 8.377 -0.478 1
1 122 . 12 1 1 A 11 11 ALA HA H 11 4.229 4.116 0.113 1
1 126 . 12 1 1 A 11 11 ALA C C 11 179.361 180.100 -0.739 1
1 127 . 12 1 1 A 11 11 ALA CA C 11 54.791 55.223 -0.432 1
1 128 . 12 1 1 A 11 11 ALA CB C 11 17.766 18.212 -0.446 1
1 129 . 12 1 1 A 11 11 ALA N N 11 122.809 122.266 0.543 1
1 130 . 12 1 1 A 12 12 ILE H H 12 8.091 8.244 -0.153 1
1 131 . 12 1 1 A 12 12 ILE HA H 12 3.927 3.779 0.148 1
1 141 . 12 1 1 A 12 12 ILE CA C 12 64.005 65.199 -1.194 1
1 142 . 12 1 1 A 12 12 ILE CB C 12 38.109 37.958 0.151 1
1 146 . 12 1 1 A 12 12 ILE N N 12 117.663 119.075 -1.412 1
1 147 . 12 1 1 A 13 13 GLY H H 13 8.014 7.872 0.142 1
1 148 . 12 1 1 A 13 13 GLY HA2 H 13 3.974 3.815 0.159 1
1 149 . 12 1 1 A 13 13 GLY HA3 H 13 4.136 3.907 0.229 1
1 150 . 12 1 1 A 13 13 GLY N N 13 108.042 107.983 0.059 1
1 151 . 12 1 1 A 14 14 TYR H H 14 8.158 8.173 -0.015 1
1 152 . 12 1 1 A 14 14 TYR HA H 14 4.310 4.003 0.307 1
1 159 . 12 1 1 A 14 14 TYR CA C 14 60.839 59.722 1.117 1
1 160 . 12 1 1 A 14 14 TYR CB C 14 38.340 38.459 -0.119 1
1 165 . 12 1 1 A 14 14 TYR N N 14 121.815 123.412 -1.597 1
1 166 . 12 1 1 A 15 15 ALA H H 15 8.233 8.348 -0.115 1
1 167 . 12 1 1 A 15 15 ALA HA H 15 4.162 3.978 0.184 1
1 171 . 12 1 1 A 15 15 ALA C C 15 179.200 180.254 -1.054 1
1 172 . 12 1 1 A 15 15 ALA CA C 15 55.091 55.119 -0.028 1
1 173 . 12 1 1 A 15 15 ALA CB C 15 17.743 18.563 -0.820 1
1 174 . 12 1 1 A 15 15 ALA N N 15 123.427 121.162 2.265 1
1 175 . 12 1 1 A 16 16 PHE H H 16 8.531 9.352 -0.821 1
1 176 . 12 1 1 A 16 16 PHE HA H 16 4.363 3.457 0.906 1
1 184 . 12 1 1 A 16 16 PHE CA C 16 60.569 57.878 2.691 1
1 185 . 12 1 1 A 16 16 PHE CB C 16 43.263 37.713 5.550 1
1 190 . 12 1 1 A 16 16 PHE N N 16 116.921 116.822 0.099 1
1 191 . 12 1 1 A 17 17 GLY H H 17 8.095 8.667 -0.572 1
1 192 . 12 1 1 A 17 17 GLY HA2 H 17 3.893 3.732 0.161 1
1 193 . 12 1 1 A 17 17 GLY HA3 H 17 3.893 3.784 0.109 1
1 194 . 12 1 1 A 17 17 GLY CA C 17 46.840 46.849 -0.009 1
1 195 . 12 1 1 A 17 17 GLY N N 17 105.887 108.611 -2.724 1
1 196 . 12 1 1 A 18 18 ALA H H 18 7.858 7.641 0.217 1
1 197 . 12 1 1 A 18 18 ALA HA H 18 4.088 3.913 0.175 1
1 201 . 12 1 1 A 18 18 ALA C C 18 180.375 179.695 0.680 1
1 202 . 12 1 1 A 18 18 ALA CA C 18 55.324 54.591 0.733 1
1 203 . 12 1 1 A 18 18 ALA CB C 18 17.605 18.371 -0.766 1
1 204 . 12 1 1 A 18 18 ALA N N 18 123.999 124.741 -0.742 1
1 205 . 12 1 1 A 19 19 VAL H H 19 7.970 8.255 -0.285 1
1 206 . 12 1 1 A 19 19 VAL HA H 19 3.669 3.493 0.176 1
1 214 . 12 1 1 A 19 19 VAL CA C 19 66.502 66.580 -0.078 1
1 215 . 12 1 1 A 19 19 VAL CB C 19 31.765 31.719 0.046 1
1 218 . 12 1 1 A 19 19 VAL N N 19 119.834 118.894 0.940 1
1 219 . 12 1 1 A 20 20 GLU H H 20 8.263 7.757 0.506 1
1 220 . 12 1 1 A 20 20 GLU HA H 20 3.866 4.109 -0.243 1
1 225 . 12 1 1 A 20 20 GLU CA C 20 59.604 59.522 0.082 1
1 226 . 12 1 1 A 20 20 GLU CB C 20 27.822 29.473 -1.651 1
1 229 . 12 1 1 A 20 20 GLU N N 20 118.154 119.339 -1.185 1
1 230 . 12 1 1 A 21 21 ARG H H 21 8.007 7.682 0.325 1
1 231 . 12 1 1 A 21 21 ARG HA H 21 3.974 3.973 0.001 1
1 238 . 12 1 1 A 21 21 ARG CA C 21 59.705 59.062 0.643 1
1 239 . 12 1 1 A 21 21 ARG CB C 21 30.141 29.946 0.195 1
1 241 . 12 1 1 A 22 22 ALA H H 22 7.930 7.749 0.181 1
1 242 . 12 1 1 A 22 22 ALA HA H 22 4.201 4.050 0.151 1
1 246 . 12 1 1 A 22 22 ALA C C 22 180.595 180.316 0.279 1
1 247 . 12 1 1 A 22 22 ALA CA C 22 55.046 55.120 -0.074 1
1 248 . 12 1 1 A 22 22 ALA CB C 22 17.756 18.142 -0.386 1
1 249 . 12 1 1 A 22 22 ALA N N 22 122.985 122.029 0.956 1
1 250 . 12 1 1 A 23 23 VAL H H 23 8.512 7.861 0.651 1
1 251 . 12 1 1 A 23 23 VAL HA H 23 3.778 3.664 0.114 1
1 259 . 12 1 1 A 23 23 VAL CA C 23 66.053 66.477 -0.424 1
1 260 . 12 1 1 A 23 23 VAL CB C 23 32.037 31.180 0.857 1
1 263 . 12 1 1 A 23 23 VAL N N 23 119.108 117.899 1.209 1
1 264 . 12 1 1 A 24 24 LEU H H 24 8.480 8.317 0.163 1
1 265 . 12 1 1 A 24 24 LEU HA H 24 4.235 3.969 0.266 1
1 275 . 12 1 1 A 24 24 LEU CA C 24 57.204 57.736 -0.532 1
1 276 . 12 1 1 A 24 24 LEU CB C 24 41.761 41.686 0.075 1
1 279 . 12 1 1 A 24 24 LEU N N 24 120.029 121.829 -1.800 1
1 280 . 12 1 1 A 25 25 GLY H H 25 8.146 7.516 0.630 1
1 281 . 12 1 1 A 25 25 GLY HA2 H 25 3.965 3.681 0.284 1
1 282 . 12 1 1 A 25 25 GLY HA3 H 25 4.027 3.683 0.344 1
1 283 . 12 1 1 A 25 25 GLY CA C 25 46.078 47.237 -1.159 1
1 284 . 12 1 1 A 25 25 GLY N N 25 106.295 106.895 -0.600 1
1 285 . 12 1 1 A 26 26 GLY H H 26 7.995 8.017 -0.022 1
1 286 . 12 1 1 A 26 26 GLY HA2 H 26 3.891 3.926 -0.035 1
1 287 . 12 1 1 A 26 26 GLY HA3 H 26 3.891 3.927 -0.036 1
1 288 . 12 1 1 A 26 26 GLY N N 26 106.665 108.256 -1.591 1
1 289 . 12 1 1 A 27 27 SER H H 27 8.068 7.691 0.377 1
1 290 . 12 1 1 A 27 27 SER HA H 27 4.415 4.800 -0.385 1
1 293 . 12 1 1 A 27 27 SER CB C 27 63.608 65.547 -1.939 1
1 294 . 12 1 1 A 27 27 SER N N 27 115.282 114.456 0.826 1
1 295 . 12 1 1 A 28 28 ARG H H 28 7.987 8.778 -0.791 1
1 296 . 12 1 1 A 28 28 ARG HA H 28 4.353 4.576 -0.223 1
1 304 . 12 1 1 A 28 28 ARG CA C 28 56.445 55.179 1.266 1
1 307 . 12 1 1 A 28 28 ARG N N 28 120.986 126.468 -5.482 1
1 308 . 12 1 1 A 29 29 ASP H H 29 8.095 7.892 0.203 1
1 309 . 12 1 1 A 29 29 ASP HA H 29 4.727 4.610 0.117 1
1 312 . 12 1 1 A 29 29 ASP C C 29 174.757 175.849 -1.092 1
1 313 . 12 1 1 A 29 29 ASP CB C 29 37.688 40.958 -3.270 1
1 315 . 12 1 1 A 30 30 TYR H H 30 7.885 8.691 -0.806 1
1 316 . 12 1 1 A 30 30 TYR HA H 30 4.554 4.150 0.404 1
1 323 . 12 1 1 A 30 30 TYR C C 30 175.274 177.172 -1.898 1
1 324 . 12 1 1 A 30 30 TYR CA C 30 58.226 60.851 -2.625 1
1 325 . 12 1 1 A 30 30 TYR CB C 30 38.355 38.217 0.138 1
1 330 . 12 1 1 A 30 30 TYR N N 30 119.689 123.289 -3.600 1
1 331 . 12 1 1 A 31 31 ASN H H 31 8.081 8.177 -0.096 1
1 332 . 12 1 1 A 31 31 ASN HA H 31 4.739 4.717 0.022 1
1 337 . 12 1 1 A 31 31 ASN C C 31 174.469 175.710 -1.241 1
1 338 . 12 1 1 A 31 31 ASN CA C 31 53.266 52.285 0.981 1
1 339 . 12 1 1 A 31 31 ASN CB C 31 38.838 37.773 1.065 1
1 341 . 12 1 1 A 31 31 ASN N N 31 118.821 116.595 2.226 1
1 14 . 13 1 1 A 2 2 ARG H H 2 8.775 8.464 0.311 1
1 15 . 13 1 1 A 2 2 ARG HA H 2 4.494 5.013 -0.519 1
1 23 . 13 1 1 A 2 2 ARG C C 2 175.506 174.527 0.979 1
1 24 . 13 1 1 A 2 2 ARG CA C 2 56.406 54.789 1.617 1
1 27 . 13 1 1 A 2 2 ARG N N 2 123.489 126.425 -2.936 1
1 28 . 13 1 1 A 3 3 SER H H 3 8.406 8.692 -0.286 1
1 29 . 13 1 1 A 3 3 SER HA H 3 4.600 4.851 -0.251 1
1 32 . 13 1 1 A 3 3 SER C C 3 174.478 173.733 0.745 1
1 33 . 13 1 1 A 3 3 SER CA C 3 57.797 57.590 0.207 1
1 34 . 13 1 1 A 3 3 SER CB C 3 64.546 65.576 -1.030 1
1 35 . 13 1 1 A 3 3 SER N N 3 117.028 116.997 0.031 1
1 36 . 13 1 1 A 4 4 ARG H H 4 8.508 9.173 -0.665 1
1 37 . 13 1 1 A 4 4 ARG HA H 4 4.400 3.942 0.458 1
1 45 . 13 1 1 A 4 4 ARG CA C 4 56.661 57.005 -0.344 1
1 46 . 13 1 1 A 4 4 ARG CB C 4 30.943 28.906 2.037 1
1 49 . 13 1 1 A 4 4 ARG N N 4 122.829 120.750 2.079 1
1 50 . 13 1 1 A 5 5 LYS H H 5 8.256 7.848 0.408 1
1 51 . 13 1 1 A 5 5 LYS HA H 5 4.290 4.445 -0.155 1
1 60 . 13 1 1 A 5 5 LYS CA C 5 56.843 55.639 1.204 1
1 61 . 13 1 1 A 5 5 LYS CB C 5 32.969 33.148 -0.179 1
1 65 . 13 1 1 A 5 5 LYS N N 5 120.908 119.969 0.939 1
1 66 . 13 1 1 A 6 6 ASN H H 6 8.204 8.086 0.118 1
1 67 . 13 1 1 A 6 6 ASN HA H 6 4.757 4.815 -0.058 1
1 72 . 13 1 1 A 6 6 ASN C C 6 174.392 175.026 -0.634 1
1 73 . 13 1 1 A 6 6 ASN CA C 6 53.146 53.756 -0.610 1
1 74 . 13 1 1 A 6 6 ASN CB C 6 38.927 41.284 -2.357 1
1 76 . 13 1 1 A 6 6 ASN N N 6 118.424 118.565 -0.141 1
1 78 . 13 1 1 A 7 7 GLY H H 7 8.307 7.852 0.455 1
1 79 . 13 1 1 A 7 7 GLY HA2 H 7 4.059 3.956 0.103 1
1 80 . 13 1 1 A 7 7 GLY HA3 H 7 4.094 4.146 -0.052 1
1 81 . 13 1 1 A 7 7 GLY CA C 7 45.902 45.651 0.251 1
1 82 . 13 1 1 A 7 7 GLY N N 7 108.391 105.691 2.700 1
1 83 . 13 1 1 A 8 8 ILE H H 8 7.989 7.993 -0.004 1
1 84 . 13 1 1 A 8 8 ILE HA H 8 4.126 3.912 0.214 1
1 94 . 13 1 1 A 8 8 ILE C C 8 176.811 177.705 -0.894 1
1 95 . 13 1 1 A 8 8 ILE CA C 8 63.018 65.109 -2.091 1
1 96 . 13 1 1 A 8 8 ILE CB C 8 38.402 37.728 0.674 1
1 100 . 13 1 1 A 8 8 ILE N N 8 120.369 120.147 0.222 1
1 101 . 13 1 1 A 9 9 GLY H H 9 8.243 8.133 0.110 1
1 102 . 13 1 1 A 9 9 GLY HA2 H 9 3.844 4.284 -0.440 1
1 103 . 13 1 1 A 9 9 GLY HA3 H 9 3.844 4.306 -0.462 1
1 104 . 13 1 1 A 9 9 GLY CA C 9 46.491 45.728 0.763 1
1 105 . 13 1 1 A 9 9 GLY N N 9 108.169 109.481 -1.312 1
1 106 . 13 1 1 A 10 10 TYR H H 10 7.763 7.988 -0.225 1
1 107 . 13 1 1 A 10 10 TYR HA H 10 4.408 4.718 -0.310 1
1 114 . 13 1 1 A 10 10 TYR CA C 10 59.789 59.640 0.149 1
1 115 . 13 1 1 A 10 10 TYR CB C 10 38.316 37.955 0.361 1
1 120 . 13 1 1 A 10 10 TYR N N 10 119.911 119.598 0.313 1
1 121 . 13 1 1 A 11 11 ALA H H 11 7.899 8.393 -0.494 1
1 122 . 13 1 1 A 11 11 ALA HA H 11 4.229 4.155 0.074 1
1 126 . 13 1 1 A 11 11 ALA C C 11 179.361 179.991 -0.630 1
1 127 . 13 1 1 A 11 11 ALA CA C 11 54.791 55.137 -0.346 1
1 128 . 13 1 1 A 11 11 ALA CB C 11 17.766 18.166 -0.400 1
1 129 . 13 1 1 A 11 11 ALA N N 11 122.809 122.418 0.391 1
1 130 . 13 1 1 A 12 12 ILE H H 12 8.091 8.186 -0.095 1
1 131 . 13 1 1 A 12 12 ILE HA H 12 3.927 3.828 0.099 1
1 141 . 13 1 1 A 12 12 ILE CA C 12 64.005 65.217 -1.212 1
1 142 . 13 1 1 A 12 12 ILE CB C 12 38.109 37.973 0.136 1
1 146 . 13 1 1 A 12 12 ILE N N 12 117.663 119.162 -1.499 1
1 147 . 13 1 1 A 13 13 GLY H H 13 8.014 7.863 0.151 1
1 148 . 13 1 1 A 13 13 GLY HA2 H 13 3.974 3.819 0.155 1
1 149 . 13 1 1 A 13 13 GLY HA3 H 13 4.136 3.933 0.203 1
1 150 . 13 1 1 A 13 13 GLY N N 13 108.042 108.001 0.041 1
1 151 . 13 1 1 A 14 14 TYR H H 14 8.158 8.052 0.106 1
1 152 . 13 1 1 A 14 14 TYR HA H 14 4.310 4.078 0.232 1
1 159 . 13 1 1 A 14 14 TYR CA C 14 60.839 60.422 0.417 1
1 160 . 13 1 1 A 14 14 TYR CB C 14 38.340 38.624 -0.284 1
1 165 . 13 1 1 A 14 14 TYR N N 14 121.815 123.648 -1.833 1
1 166 . 13 1 1 A 15 15 ALA H H 15 8.233 7.945 0.288 1
1 167 . 13 1 1 A 15 15 ALA HA H 15 4.162 4.190 -0.028 1
1 171 . 13 1 1 A 15 15 ALA C C 15 179.200 179.971 -0.771 1
1 172 . 13 1 1 A 15 15 ALA CA C 15 55.091 55.058 0.033 1
1 173 . 13 1 1 A 15 15 ALA CB C 15 17.743 18.429 -0.686 1
1 174 . 13 1 1 A 15 15 ALA N N 15 123.427 121.667 1.760 1
1 175 . 13 1 1 A 16 16 PHE H H 16 8.531 8.302 0.229 1
1 176 . 13 1 1 A 16 16 PHE HA H 16 4.363 3.577 0.786 1
1 184 . 13 1 1 A 16 16 PHE CA C 16 60.569 57.847 2.722 1
1 185 . 13 1 1 A 16 16 PHE CB C 16 43.263 37.635 5.628 1
1 190 . 13 1 1 A 16 16 PHE N N 16 116.921 116.867 0.054 1
1 191 . 13 1 1 A 17 17 GLY H H 17 8.095 9.208 -1.113 1
1 192 . 13 1 1 A 17 17 GLY HA2 H 17 3.893 3.767 0.126 1
1 193 . 13 1 1 A 17 17 GLY HA3 H 17 3.893 3.815 0.078 1
1 194 . 13 1 1 A 17 17 GLY CA C 17 46.840 46.852 -0.012 1
1 195 . 13 1 1 A 17 17 GLY N N 17 105.887 108.580 -2.693 1
1 196 . 13 1 1 A 18 18 ALA H H 18 7.858 7.934 -0.076 1
1 197 . 13 1 1 A 18 18 ALA HA H 18 4.088 3.972 0.116 1
1 201 . 13 1 1 A 18 18 ALA C C 18 180.375 179.724 0.651 1
1 202 . 13 1 1 A 18 18 ALA CA C 18 55.324 54.638 0.686 1
1 203 . 13 1 1 A 18 18 ALA CB C 18 17.605 18.430 -0.825 1
1 204 . 13 1 1 A 18 18 ALA N N 18 123.999 124.818 -0.819 1
1 205 . 13 1 1 A 19 19 VAL H H 19 7.970 8.302 -0.332 1
1 206 . 13 1 1 A 19 19 VAL HA H 19 3.669 3.514 0.155 1
1 214 . 13 1 1 A 19 19 VAL CA C 19 66.502 66.355 0.147 1
1 215 . 13 1 1 A 19 19 VAL CB C 19 31.765 31.735 0.030 1
1 218 . 13 1 1 A 19 19 VAL N N 19 119.834 118.916 0.918 1
1 219 . 13 1 1 A 20 20 GLU H H 20 8.263 7.656 0.607 1
1 220 . 13 1 1 A 20 20 GLU HA H 20 3.866 4.127 -0.261 1
1 225 . 13 1 1 A 20 20 GLU CA C 20 59.604 59.546 0.058 1
1 226 . 13 1 1 A 20 20 GLU CB C 20 27.822 29.457 -1.635 1
1 229 . 13 1 1 A 20 20 GLU N N 20 118.154 119.458 -1.304 1
1 230 . 13 1 1 A 21 21 ARG H H 21 8.007 7.673 0.334 1
1 231 . 13 1 1 A 21 21 ARG HA H 21 3.974 3.966 0.008 1
1 238 . 13 1 1 A 21 21 ARG CA C 21 59.705 59.051 0.654 1
1 239 . 13 1 1 A 21 21 ARG CB C 21 30.141 29.846 0.295 1
1 241 . 13 1 1 A 22 22 ALA H H 22 7.930 7.796 0.134 1
1 242 . 13 1 1 A 22 22 ALA HA H 22 4.201 4.051 0.150 1
1 246 . 13 1 1 A 22 22 ALA C C 22 180.595 180.078 0.517 1
1 247 . 13 1 1 A 22 22 ALA CA C 22 55.046 55.166 -0.120 1
1 248 . 13 1 1 A 22 22 ALA CB C 22 17.756 18.705 -0.949 1
1 249 . 13 1 1 A 22 22 ALA N N 22 122.985 122.229 0.756 1
1 250 . 13 1 1 A 23 23 VAL H H 23 8.512 7.862 0.650 1
1 251 . 13 1 1 A 23 23 VAL HA H 23 3.778 3.692 0.086 1
1 259 . 13 1 1 A 23 23 VAL CA C 23 66.053 66.509 -0.456 1
1 260 . 13 1 1 A 23 23 VAL CB C 23 32.037 31.224 0.813 1
1 263 . 13 1 1 A 23 23 VAL N N 23 119.108 117.985 1.123 1
1 264 . 13 1 1 A 24 24 LEU H H 24 8.480 8.065 0.415 1
1 265 . 13 1 1 A 24 24 LEU HA H 24 4.235 4.024 0.211 1
1 275 . 13 1 1 A 24 24 LEU CA C 24 57.204 57.983 -0.779 1
1 276 . 13 1 1 A 24 24 LEU CB C 24 41.761 42.069 -0.308 1
1 279 . 13 1 1 A 24 24 LEU N N 24 120.029 121.380 -1.351 1
1 280 . 13 1 1 A 25 25 GLY H H 25 8.146 7.621 0.525 1
1 281 . 13 1 1 A 25 25 GLY HA2 H 25 3.965 4.166 -0.201 1
1 282 . 13 1 1 A 25 25 GLY HA3 H 25 4.027 4.169 -0.142 1
1 283 . 13 1 1 A 25 25 GLY CA C 25 46.078 45.564 0.514 1
1 284 . 13 1 1 A 25 25 GLY N N 25 106.295 106.398 -0.103 1
1 285 . 13 1 1 A 26 26 GLY H H 26 7.995 7.982 0.013 1
1 286 . 13 1 1 A 26 26 GLY HA2 H 26 3.891 3.916 -0.025 1
1 287 . 13 1 1 A 26 26 GLY HA3 H 26 3.891 3.927 -0.036 1
1 288 . 13 1 1 A 26 26 GLY N N 26 106.665 108.327 -1.662 1
1 289 . 13 1 1 A 27 27 SER H H 27 8.068 7.565 0.503 1
1 290 . 13 1 1 A 27 27 SER HA H 27 4.415 4.669 -0.254 1
1 293 . 13 1 1 A 27 27 SER CB C 27 63.608 65.486 -1.878 1
1 294 . 13 1 1 A 27 27 SER N N 27 115.282 112.887 2.395 1
1 295 . 13 1 1 A 28 28 ARG H H 28 7.987 8.520 -0.533 1
1 296 . 13 1 1 A 28 28 ARG HA H 28 4.353 4.576 -0.223 1
1 304 . 13 1 1 A 28 28 ARG CA C 28 56.445 55.262 1.183 1
1 307 . 13 1 1 A 28 28 ARG N N 28 120.986 125.349 -4.363 1
1 308 . 13 1 1 A 29 29 ASP H H 29 8.095 7.727 0.368 1
1 309 . 13 1 1 A 29 29 ASP HA H 29 4.727 4.815 -0.088 1
1 312 . 13 1 1 A 29 29 ASP C C 29 174.757 175.494 -0.737 1
1 313 . 13 1 1 A 29 29 ASP CB C 29 37.688 41.303 -3.615 1
1 315 . 13 1 1 A 30 30 TYR H H 30 7.885 7.500 0.385 1
1 316 . 13 1 1 A 30 30 TYR HA H 30 4.554 4.750 -0.196 1
1 323 . 13 1 1 A 30 30 TYR C C 30 175.274 174.782 0.492 1
1 324 . 13 1 1 A 30 30 TYR CA C 30 58.226 56.921 1.305 1
1 325 . 13 1 1 A 30 30 TYR CB C 30 38.355 39.889 -1.534 1
1 330 . 13 1 1 A 30 30 TYR N N 30 119.689 116.331 3.358 1
1 331 . 13 1 1 A 31 31 ASN H H 31 8.081 7.740 0.341 1
1 332 . 13 1 1 A 31 31 ASN HA H 31 4.739 4.892 -0.153 1
1 337 . 13 1 1 A 31 31 ASN C C 31 174.469 174.375 0.094 1
1 338 . 13 1 1 A 31 31 ASN CA C 31 53.266 53.267 -0.001 1
1 339 . 13 1 1 A 31 31 ASN CB C 31 38.838 41.286 -2.448 1
1 341 . 13 1 1 A 31 31 ASN N N 31 118.821 118.563 0.258 1
1 14 . 14 1 1 A 2 2 ARG H H 2 8.775 7.582 1.193 1
1 15 . 14 1 1 A 2 2 ARG HA H 2 4.494 4.070 0.424 1
1 23 . 14 1 1 A 2 2 ARG C C 2 175.506 176.503 -0.997 1
1 24 . 14 1 1 A 2 2 ARG CA C 2 56.406 56.443 -0.037 1
1 27 . 14 1 1 A 2 2 ARG N N 2 123.489 121.055 2.434 1
1 28 . 14 1 1 A 3 3 SER H H 3 8.406 8.738 -0.332 1
1 29 . 14 1 1 A 3 3 SER HA H 3 4.600 4.158 0.442 1
1 32 . 14 1 1 A 3 3 SER C C 3 174.478 173.349 1.129 1
1 33 . 14 1 1 A 3 3 SER CA C 3 57.797 59.878 -2.081 1
1 34 . 14 1 1 A 3 3 SER CB C 3 64.546 61.969 2.577 1
1 35 . 14 1 1 A 3 3 SER N N 3 117.028 114.540 2.488 1
1 36 . 14 1 1 A 4 4 ARG H H 4 8.508 7.981 0.527 1
1 37 . 14 1 1 A 4 4 ARG HA H 4 4.400 4.470 -0.070 1
1 45 . 14 1 1 A 4 4 ARG CA C 4 56.661 55.476 1.185 1
1 46 . 14 1 1 A 4 4 ARG CB C 4 30.943 30.844 0.099 1
1 49 . 14 1 1 A 4 4 ARG N N 4 122.829 119.407 3.422 1
1 50 . 14 1 1 A 5 5 LYS H H 5 8.256 7.563 0.693 1
1 51 . 14 1 1 A 5 5 LYS HA H 5 4.290 4.462 -0.172 1
1 60 . 14 1 1 A 5 5 LYS CA C 5 56.843 55.782 1.061 1
1 61 . 14 1 1 A 5 5 LYS CB C 5 32.969 33.185 -0.216 1
1 65 . 14 1 1 A 5 5 LYS N N 5 120.908 121.888 -0.980 1
1 66 . 14 1 1 A 6 6 ASN H H 6 8.204 8.080 0.124 1
1 67 . 14 1 1 A 6 6 ASN HA H 6 4.757 4.841 -0.084 1
1 72 . 14 1 1 A 6 6 ASN C C 6 174.392 174.686 -0.294 1
1 73 . 14 1 1 A 6 6 ASN CA C 6 53.146 53.974 -0.828 1
1 74 . 14 1 1 A 6 6 ASN CB C 6 38.927 41.780 -2.853 1
1 76 . 14 1 1 A 6 6 ASN N N 6 118.424 118.082 0.342 1
1 78 . 14 1 1 A 7 7 GLY H H 7 8.307 8.102 0.205 1
1 79 . 14 1 1 A 7 7 GLY HA2 H 7 4.059 3.870 0.189 1
1 80 . 14 1 1 A 7 7 GLY HA3 H 7 4.094 4.031 0.063 1
1 81 . 14 1 1 A 7 7 GLY CA C 7 45.902 46.654 -0.752 1
1 82 . 14 1 1 A 7 7 GLY N N 7 108.391 106.034 2.357 1
1 83 . 14 1 1 A 8 8 ILE H H 8 7.989 8.386 -0.397 1
1 84 . 14 1 1 A 8 8 ILE HA H 8 4.126 3.839 0.287 1
1 94 . 14 1 1 A 8 8 ILE C C 8 176.811 177.699 -0.888 1
1 95 . 14 1 1 A 8 8 ILE CA C 8 63.018 65.144 -2.126 1
1 96 . 14 1 1 A 8 8 ILE CB C 8 38.402 37.895 0.507 1
1 100 . 14 1 1 A 8 8 ILE N N 8 120.369 123.857 -3.488 1
1 101 . 14 1 1 A 9 9 GLY H H 9 8.243 8.212 0.031 1
1 102 . 14 1 1 A 9 9 GLY HA2 H 9 3.844 4.198 -0.354 1
1 103 . 14 1 1 A 9 9 GLY HA3 H 9 3.844 4.235 -0.391 1
1 104 . 14 1 1 A 9 9 GLY CA C 9 46.491 45.621 0.870 1
1 105 . 14 1 1 A 9 9 GLY N N 9 108.169 109.368 -1.199 1
1 106 . 14 1 1 A 10 10 TYR H H 10 7.763 7.958 -0.195 1
1 107 . 14 1 1 A 10 10 TYR HA H 10 4.408 4.708 -0.300 1
1 114 . 14 1 1 A 10 10 TYR CA C 10 59.789 59.704 0.085 1
1 115 . 14 1 1 A 10 10 TYR CB C 10 38.316 37.959 0.357 1
1 120 . 14 1 1 A 10 10 TYR N N 10 119.911 119.178 0.733 1
1 121 . 14 1 1 A 11 11 ALA H H 11 7.899 8.356 -0.457 1
1 122 . 14 1 1 A 11 11 ALA HA H 11 4.229 4.089 0.140 1
1 126 . 14 1 1 A 11 11 ALA C C 11 179.361 180.239 -0.878 1
1 127 . 14 1 1 A 11 11 ALA CA C 11 54.791 55.253 -0.462 1
1 128 . 14 1 1 A 11 11 ALA CB C 11 17.766 18.192 -0.426 1
1 129 . 14 1 1 A 11 11 ALA N N 11 122.809 122.254 0.555 1
1 130 . 14 1 1 A 12 12 ILE H H 12 8.091 8.257 -0.166 1
1 131 . 14 1 1 A 12 12 ILE HA H 12 3.927 3.869 0.058 1
1 141 . 14 1 1 A 12 12 ILE CA C 12 64.005 65.250 -1.245 1
1 142 . 14 1 1 A 12 12 ILE CB C 12 38.109 37.977 0.132 1
1 146 . 14 1 1 A 12 12 ILE N N 12 117.663 119.086 -1.423 1
1 147 . 14 1 1 A 13 13 GLY H H 13 8.014 7.830 0.184 1
1 148 . 14 1 1 A 13 13 GLY HA2 H 13 3.974 3.784 0.190 1
1 149 . 14 1 1 A 13 13 GLY HA3 H 13 4.136 3.882 0.254 1
1 150 . 14 1 1 A 13 13 GLY N N 13 108.042 107.948 0.094 1
1 151 . 14 1 1 A 14 14 TYR H H 14 8.158 8.375 -0.217 1
1 152 . 14 1 1 A 14 14 TYR HA H 14 4.310 4.081 0.229 1
1 159 . 14 1 1 A 14 14 TYR CA C 14 60.839 60.406 0.433 1
1 160 . 14 1 1 A 14 14 TYR CB C 14 38.340 38.632 -0.292 1
1 165 . 14 1 1 A 14 14 TYR N N 14 121.815 123.700 -1.885 1
1 166 . 14 1 1 A 15 15 ALA H H 15 8.233 7.987 0.246 1
1 167 . 14 1 1 A 15 15 ALA HA H 15 4.162 4.196 -0.034 1
1 171 . 14 1 1 A 15 15 ALA C C 15 179.200 179.971 -0.771 1
1 172 . 14 1 1 A 15 15 ALA CA C 15 55.091 55.061 0.030 1
1 173 . 14 1 1 A 15 15 ALA CB C 15 17.743 18.391 -0.648 1
1 174 . 14 1 1 A 15 15 ALA N N 15 123.427 121.671 1.756 1
1 175 . 14 1 1 A 16 16 PHE H H 16 8.531 8.283 0.248 1
1 176 . 14 1 1 A 16 16 PHE HA H 16 4.363 3.772 0.591 1
1 184 . 14 1 1 A 16 16 PHE CA C 16 60.569 58.323 2.246 1
1 185 . 14 1 1 A 16 16 PHE CB C 16 43.263 37.864 5.399 1
1 190 . 14 1 1 A 16 16 PHE N N 16 116.921 116.942 -0.021 1
1 191 . 14 1 1 A 17 17 GLY H H 17 8.095 9.168 -1.073 1
1 192 . 14 1 1 A 17 17 GLY HA2 H 17 3.893 3.756 0.137 1
1 193 . 14 1 1 A 17 17 GLY HA3 H 17 3.893 3.808 0.085 1
1 194 . 14 1 1 A 17 17 GLY CA C 17 46.840 46.880 -0.040 1
1 195 . 14 1 1 A 17 17 GLY N N 17 105.887 107.872 -1.985 1
1 196 . 14 1 1 A 18 18 ALA H H 18 7.858 7.645 0.213 1
1 197 . 14 1 1 A 18 18 ALA HA H 18 4.088 3.973 0.115 1
1 201 . 14 1 1 A 18 18 ALA C C 18 180.375 179.713 0.662 1
1 202 . 14 1 1 A 18 18 ALA CA C 18 55.324 54.635 0.689 1
1 203 . 14 1 1 A 18 18 ALA CB C 18 17.605 18.433 -0.828 1
1 204 . 14 1 1 A 18 18 ALA N N 18 123.999 124.795 -0.796 1
1 205 . 14 1 1 A 19 19 VAL H H 19 7.970 8.103 -0.133 1
1 206 . 14 1 1 A 19 19 VAL HA H 19 3.669 3.509 0.160 1
1 214 . 14 1 1 A 19 19 VAL CA C 19 66.502 66.186 0.316 1
1 215 . 14 1 1 A 19 19 VAL CB C 19 31.765 31.656 0.109 1
1 218 . 14 1 1 A 19 19 VAL N N 19 119.834 118.652 1.182 1
1 219 . 14 1 1 A 20 20 GLU H H 20 8.263 7.752 0.511 1
1 220 . 14 1 1 A 20 20 GLU HA H 20 3.866 4.132 -0.266 1
1 225 . 14 1 1 A 20 20 GLU CA C 20 59.604 59.532 0.072 1
1 226 . 14 1 1 A 20 20 GLU CB C 20 27.822 29.413 -1.591 1
1 229 . 14 1 1 A 20 20 GLU N N 20 118.154 119.474 -1.320 1
1 230 . 14 1 1 A 21 21 ARG H H 21 8.007 7.677 0.330 1
1 231 . 14 1 1 A 21 21 ARG HA H 21 3.974 4.003 -0.029 1
1 238 . 14 1 1 A 21 21 ARG CA C 21 59.705 59.067 0.638 1
1 239 . 14 1 1 A 21 21 ARG CB C 21 30.141 29.730 0.411 1
1 241 . 14 1 1 A 22 22 ALA H H 22 7.930 7.702 0.228 1
1 242 . 14 1 1 A 22 22 ALA HA H 22 4.201 4.059 0.142 1
1 246 . 14 1 1 A 22 22 ALA C C 22 180.595 180.024 0.571 1
1 247 . 14 1 1 A 22 22 ALA CA C 22 55.046 55.117 -0.071 1
1 248 . 14 1 1 A 22 22 ALA CB C 22 17.756 18.407 -0.651 1
1 249 . 14 1 1 A 22 22 ALA N N 22 122.985 122.096 0.889 1
1 250 . 14 1 1 A 23 23 VAL H H 23 8.512 7.875 0.637 1
1 251 . 14 1 1 A 23 23 VAL HA H 23 3.778 3.684 0.094 1
1 259 . 14 1 1 A 23 23 VAL CA C 23 66.053 66.533 -0.480 1
1 260 . 14 1 1 A 23 23 VAL CB C 23 32.037 31.429 0.608 1
1 263 . 14 1 1 A 23 23 VAL N N 23 119.108 118.017 1.091 1
1 264 . 14 1 1 A 24 24 LEU H H 24 8.480 8.287 0.193 1
1 265 . 14 1 1 A 24 24 LEU HA H 24 4.235 3.969 0.266 1
1 275 . 14 1 1 A 24 24 LEU CA C 24 57.204 58.077 -0.873 1
1 276 . 14 1 1 A 24 24 LEU CB C 24 41.761 42.098 -0.337 1
1 279 . 14 1 1 A 24 24 LEU N N 24 120.029 121.202 -1.173 1
1 280 . 14 1 1 A 25 25 GLY H H 25 8.146 7.919 0.227 1
1 281 . 14 1 1 A 25 25 GLY HA2 H 25 3.965 3.879 0.086 1
1 282 . 14 1 1 A 25 25 GLY HA3 H 25 4.027 3.923 0.104 1
1 283 . 14 1 1 A 25 25 GLY CA C 25 46.078 46.588 -0.510 1
1 284 . 14 1 1 A 25 25 GLY N N 25 106.295 106.456 -0.161 1
1 285 . 14 1 1 A 26 26 GLY H H 26 7.995 8.117 -0.122 1
1 286 . 14 1 1 A 26 26 GLY HA2 H 26 3.891 3.984 -0.093 1
1 287 . 14 1 1 A 26 26 GLY HA3 H 26 3.891 3.994 -0.103 1
1 288 . 14 1 1 A 26 26 GLY N N 26 106.665 109.206 -2.541 1
1 289 . 14 1 1 A 27 27 SER H H 27 8.068 8.279 -0.211 1
1 290 . 14 1 1 A 27 27 SER HA H 27 4.415 4.860 -0.445 1
1 293 . 14 1 1 A 27 27 SER CB C 27 63.608 65.218 -1.610 1
1 294 . 14 1 1 A 27 27 SER N N 27 115.282 118.354 -3.072 1
1 295 . 14 1 1 A 28 28 ARG H H 28 7.987 8.610 -0.623 1
1 296 . 14 1 1 A 28 28 ARG HA H 28 4.353 5.031 -0.678 1
1 304 . 14 1 1 A 28 28 ARG CA C 28 56.445 54.852 1.593 1
1 307 . 14 1 1 A 28 28 ARG N N 28 120.986 122.432 -1.446 1
1 308 . 14 1 1 A 29 29 ASP H H 29 8.095 8.552 -0.457 1
1 309 . 14 1 1 A 29 29 ASP HA H 29 4.727 4.962 -0.235 1
1 312 . 14 1 1 A 29 29 ASP C C 29 174.757 175.593 -0.836 1
1 313 . 14 1 1 A 29 29 ASP CB C 29 37.688 41.578 -3.890 1
1 315 . 14 1 1 A 30 30 TYR H H 30 7.885 8.279 -0.394 1
1 316 . 14 1 1 A 30 30 TYR HA H 30 4.554 4.279 0.275 1
1 323 . 14 1 1 A 30 30 TYR C C 30 175.274 176.128 -0.854 1
1 324 . 14 1 1 A 30 30 TYR CA C 30 58.226 60.595 -2.369 1
1 325 . 14 1 1 A 30 30 TYR CB C 30 38.355 38.143 0.212 1
1 330 . 14 1 1 A 30 30 TYR N N 30 119.689 120.813 -1.124 1
1 331 . 14 1 1 A 31 31 ASN H H 31 8.081 7.949 0.132 1
1 332 . 14 1 1 A 31 31 ASN HA H 31 4.739 5.001 -0.262 1
1 337 . 14 1 1 A 31 31 ASN C C 31 174.469 175.480 -1.011 1
1 338 . 14 1 1 A 31 31 ASN CA C 31 53.266 54.667 -1.401 1
1 339 . 14 1 1 A 31 31 ASN CB C 31 38.838 40.782 -1.944 1
1 341 . 14 1 1 A 31 31 ASN N N 31 118.821 114.003 4.818 1
1 14 . 15 1 1 A 2 2 ARG H H 2 8.775 8.687 0.088 1
1 15 . 15 1 1 A 2 2 ARG HA H 2 4.494 4.128 0.366 1
1 23 . 15 1 1 A 2 2 ARG C C 2 175.506 176.681 -1.175 1
1 24 . 15 1 1 A 2 2 ARG CA C 2 56.406 56.202 0.204 1
1 27 . 15 1 1 A 2 2 ARG N N 2 123.489 127.247 -3.758 1
1 28 . 15 1 1 A 3 3 SER H H 3 8.406 8.781 -0.375 1
1 29 . 15 1 1 A 3 3 SER HA H 3 4.600 4.140 0.460 1
1 32 . 15 1 1 A 3 3 SER C C 3 174.478 173.190 1.288 1
1 33 . 15 1 1 A 3 3 SER CA C 3 57.797 59.869 -2.072 1
1 34 . 15 1 1 A 3 3 SER CB C 3 64.546 61.952 2.594 1
1 35 . 15 1 1 A 3 3 SER N N 3 117.028 114.183 2.845 1
1 36 . 15 1 1 A 4 4 ARG H H 4 8.508 7.831 0.677 1
1 37 . 15 1 1 A 4 4 ARG HA H 4 4.400 4.518 -0.118 1
1 45 . 15 1 1 A 4 4 ARG CA C 4 56.661 55.327 1.334 1
1 46 . 15 1 1 A 4 4 ARG CB C 4 30.943 30.910 0.033 1
1 49 . 15 1 1 A 4 4 ARG N N 4 122.829 119.050 3.779 1
1 50 . 15 1 1 A 5 5 LYS H H 5 8.256 7.582 0.674 1
1 51 . 15 1 1 A 5 5 LYS HA H 5 4.290 4.465 -0.175 1
1 60 . 15 1 1 A 5 5 LYS CA C 5 56.843 55.779 1.064 1
1 61 . 15 1 1 A 5 5 LYS CB C 5 32.969 33.166 -0.197 1
1 65 . 15 1 1 A 5 5 LYS N N 5 120.908 122.063 -1.155 1
1 66 . 15 1 1 A 6 6 ASN H H 6 8.204 8.122 0.082 1
1 67 . 15 1 1 A 6 6 ASN HA H 6 4.757 4.882 -0.125 1
1 72 . 15 1 1 A 6 6 ASN C C 6 174.392 175.270 -0.878 1
1 73 . 15 1 1 A 6 6 ASN CA C 6 53.146 53.921 -0.775 1
1 74 . 15 1 1 A 6 6 ASN CB C 6 38.927 41.683 -2.756 1
1 76 . 15 1 1 A 6 6 ASN N N 6 118.424 117.909 0.515 1
1 78 . 15 1 1 A 7 7 GLY H H 7 8.307 8.203 0.104 1
1 79 . 15 1 1 A 7 7 GLY HA2 H 7 4.059 3.793 0.266 1
1 80 . 15 1 1 A 7 7 GLY HA3 H 7 4.094 3.935 0.159 1
1 81 . 15 1 1 A 7 7 GLY CA C 7 45.902 46.935 -1.033 1
1 82 . 15 1 1 A 7 7 GLY N N 7 108.391 106.682 1.709 1
1 83 . 15 1 1 A 8 8 ILE H H 8 7.989 8.262 -0.273 1
1 84 . 15 1 1 A 8 8 ILE HA H 8 4.126 3.905 0.221 1
1 94 . 15 1 1 A 8 8 ILE C C 8 176.811 177.737 -0.926 1
1 95 . 15 1 1 A 8 8 ILE CA C 8 63.018 65.204 -2.186 1
1 96 . 15 1 1 A 8 8 ILE CB C 8 38.402 37.782 0.620 1
1 100 . 15 1 1 A 8 8 ILE N N 8 120.369 123.891 -3.522 1
1 101 . 15 1 1 A 9 9 GLY H H 9 8.243 8.197 0.046 1
1 102 . 15 1 1 A 9 9 GLY HA2 H 9 3.844 4.251 -0.407 1
1 103 . 15 1 1 A 9 9 GLY HA3 H 9 3.844 4.293 -0.449 1
1 104 . 15 1 1 A 9 9 GLY CA C 9 46.491 45.710 0.781 1
1 105 . 15 1 1 A 9 9 GLY N N 9 108.169 109.447 -1.278 1
1 106 . 15 1 1 A 10 10 TYR H H 10 7.763 7.997 -0.234 1
1 107 . 15 1 1 A 10 10 TYR HA H 10 4.408 4.709 -0.301 1
1 114 . 15 1 1 A 10 10 TYR CA C 10 59.789 59.683 0.106 1
1 115 . 15 1 1 A 10 10 TYR CB C 10 38.316 37.808 0.508 1
1 120 . 15 1 1 A 10 10 TYR N N 10 119.911 119.301 0.610 1
1 121 . 15 1 1 A 11 11 ALA H H 11 7.899 8.394 -0.495 1
1 122 . 15 1 1 A 11 11 ALA HA H 11 4.229 4.148 0.081 1
1 126 . 15 1 1 A 11 11 ALA C C 11 179.361 179.990 -0.629 1
1 127 . 15 1 1 A 11 11 ALA CA C 11 54.791 55.138 -0.347 1
1 128 . 15 1 1 A 11 11 ALA CB C 11 17.766 18.181 -0.415 1
1 129 . 15 1 1 A 11 11 ALA N N 11 122.809 122.426 0.383 1
1 130 . 15 1 1 A 12 12 ILE H H 12 8.091 8.233 -0.142 1
1 131 . 15 1 1 A 12 12 ILE HA H 12 3.927 3.819 0.108 1
1 141 . 15 1 1 A 12 12 ILE CA C 12 64.005 65.212 -1.207 1
1 142 . 15 1 1 A 12 12 ILE CB C 12 38.109 37.968 0.141 1
1 146 . 15 1 1 A 12 12 ILE N N 12 117.663 119.159 -1.496 1
1 147 . 15 1 1 A 13 13 GLY H H 13 8.014 7.804 0.210 1
1 148 . 15 1 1 A 13 13 GLY HA2 H 13 3.974 3.815 0.159 1
1 149 . 15 1 1 A 13 13 GLY HA3 H 13 4.136 3.933 0.203 1
1 150 . 15 1 1 A 13 13 GLY N N 13 108.042 107.990 0.052 1
1 151 . 15 1 1 A 14 14 TYR H H 14 8.158 8.058 0.100 1
1 152 . 15 1 1 A 14 14 TYR HA H 14 4.310 4.079 0.231 1
1 159 . 15 1 1 A 14 14 TYR CA C 14 60.839 60.447 0.392 1
1 160 . 15 1 1 A 14 14 TYR CB C 14 38.340 38.600 -0.260 1
1 165 . 15 1 1 A 14 14 TYR N N 14 121.815 123.630 -1.815 1
1 166 . 15 1 1 A 15 15 ALA H H 15 8.233 7.925 0.308 1
1 167 . 15 1 1 A 15 15 ALA HA H 15 4.162 4.157 0.005 1
1 171 . 15 1 1 A 15 15 ALA C C 15 179.200 179.964 -0.764 1
1 172 . 15 1 1 A 15 15 ALA CA C 15 55.091 55.070 0.021 1
1 173 . 15 1 1 A 15 15 ALA CB C 15 17.743 18.401 -0.658 1
1 174 . 15 1 1 A 15 15 ALA N N 15 123.427 121.751 1.676 1
1 175 . 15 1 1 A 16 16 PHE H H 16 8.531 8.401 0.130 1
1 176 . 15 1 1 A 16 16 PHE HA H 16 4.363 3.605 0.758 1
1 184 . 15 1 1 A 16 16 PHE CA C 16 60.569 58.038 2.531 1
1 185 . 15 1 1 A 16 16 PHE CB C 16 43.263 37.489 5.774 1
1 190 . 15 1 1 A 16 16 PHE N N 16 116.921 116.907 0.014 1
1 191 . 15 1 1 A 17 17 GLY H H 17 8.095 8.861 -0.766 1
1 192 . 15 1 1 A 17 17 GLY HA2 H 17 3.893 3.800 0.093 1
1 193 . 15 1 1 A 17 17 GLY HA3 H 17 3.893 3.848 0.045 1
1 194 . 15 1 1 A 17 17 GLY CA C 17 46.840 46.985 -0.145 1
1 195 . 15 1 1 A 17 17 GLY N N 17 105.887 106.265 -0.378 1
1 196 . 15 1 1 A 18 18 ALA H H 18 7.858 7.836 0.022 1
1 197 . 15 1 1 A 18 18 ALA HA H 18 4.088 3.973 0.115 1
1 201 . 15 1 1 A 18 18 ALA C C 18 180.375 179.677 0.698 1
1 202 . 15 1 1 A 18 18 ALA CA C 18 55.324 54.639 0.685 1
1 203 . 15 1 1 A 18 18 ALA CB C 18 17.605 18.433 -0.828 1
1 204 . 15 1 1 A 18 18 ALA N N 18 123.999 124.847 -0.848 1
1 205 . 15 1 1 A 19 19 VAL H H 19 7.970 8.172 -0.202 1
1 206 . 15 1 1 A 19 19 VAL HA H 19 3.669 3.534 0.135 1
1 214 . 15 1 1 A 19 19 VAL CA C 19 66.502 66.140 0.362 1
1 215 . 15 1 1 A 19 19 VAL CB C 19 31.765 31.811 -0.046 1
1 218 . 15 1 1 A 19 19 VAL N N 19 119.834 118.667 1.167 1
1 219 . 15 1 1 A 20 20 GLU H H 20 8.263 7.622 0.641 1
1 220 . 15 1 1 A 20 20 GLU HA H 20 3.866 4.144 -0.278 1
1 225 . 15 1 1 A 20 20 GLU CA C 20 59.604 59.531 0.073 1
1 226 . 15 1 1 A 20 20 GLU CB C 20 27.822 29.504 -1.682 1
1 229 . 15 1 1 A 20 20 GLU N N 20 118.154 119.510 -1.356 1
1 230 . 15 1 1 A 21 21 ARG H H 21 8.007 7.604 0.403 1
1 231 . 15 1 1 A 21 21 ARG HA H 21 3.974 3.994 -0.020 1
1 238 . 15 1 1 A 21 21 ARG CA C 21 59.705 59.013 0.692 1
1 239 . 15 1 1 A 21 21 ARG CB C 21 30.141 29.689 0.452 1
1 241 . 15 1 1 A 22 22 ALA H H 22 7.930 7.832 0.098 1
1 242 . 15 1 1 A 22 22 ALA HA H 22 4.201 4.030 0.171 1
1 246 . 15 1 1 A 22 22 ALA C C 22 180.595 180.045 0.550 1
1 247 . 15 1 1 A 22 22 ALA CA C 22 55.046 55.153 -0.107 1
1 248 . 15 1 1 A 22 22 ALA CB C 22 17.756 18.711 -0.955 1
1 249 . 15 1 1 A 22 22 ALA N N 22 122.985 121.987 0.998 1
1 250 . 15 1 1 A 23 23 VAL H H 23 8.512 7.897 0.615 1
1 251 . 15 1 1 A 23 23 VAL HA H 23 3.778 3.655 0.123 1
1 259 . 15 1 1 A 23 23 VAL CA C 23 66.053 66.519 -0.466 1
1 260 . 15 1 1 A 23 23 VAL CB C 23 32.037 31.234 0.803 1
1 263 . 15 1 1 A 23 23 VAL N N 23 119.108 117.941 1.167 1
1 264 . 15 1 1 A 24 24 LEU H H 24 8.480 8.136 0.344 1
1 265 . 15 1 1 A 24 24 LEU HA H 24 4.235 3.951 0.284 1
1 275 . 15 1 1 A 24 24 LEU CA C 24 57.204 58.198 -0.994 1
1 276 . 15 1 1 A 24 24 LEU CB C 24 41.761 42.023 -0.262 1
1 279 . 15 1 1 A 24 24 LEU N N 24 120.029 121.596 -1.567 1
1 280 . 15 1 1 A 25 25 GLY H H 25 8.146 8.002 0.144 1
1 281 . 15 1 1 A 25 25 GLY HA2 H 25 3.965 3.962 0.003 1
1 282 . 15 1 1 A 25 25 GLY HA3 H 25 4.027 3.964 0.063 1
1 283 . 15 1 1 A 25 25 GLY CA C 25 46.078 45.324 0.754 1
1 284 . 15 1 1 A 25 25 GLY N N 25 106.295 106.207 0.088 1
1 285 . 15 1 1 A 26 26 GLY H H 26 7.995 8.188 -0.193 1
1 286 . 15 1 1 A 26 26 GLY HA2 H 26 3.891 4.062 -0.171 1
1 287 . 15 1 1 A 26 26 GLY HA3 H 26 3.891 4.063 -0.172 1
1 288 . 15 1 1 A 26 26 GLY N N 26 106.665 109.944 -3.279 1
1 289 . 15 1 1 A 27 27 SER H H 27 8.068 8.334 -0.266 1
1 290 . 15 1 1 A 27 27 SER HA H 27 4.415 4.473 -0.058 1
1 293 . 15 1 1 A 27 27 SER CB C 27 63.608 63.417 0.191 1
1 294 . 15 1 1 A 27 27 SER N N 27 115.282 117.324 -2.042 1
1 295 . 15 1 1 A 28 28 ARG H H 28 7.987 8.501 -0.514 1
1 296 . 15 1 1 A 28 28 ARG HA H 28 4.353 4.863 -0.510 1
1 304 . 15 1 1 A 28 28 ARG CA C 28 56.445 55.578 0.867 1
1 307 . 15 1 1 A 28 28 ARG N N 28 120.986 125.798 -4.812 1
1 308 . 15 1 1 A 29 29 ASP H H 29 8.095 8.397 -0.302 1
1 309 . 15 1 1 A 29 29 ASP HA H 29 4.727 4.674 0.053 1
1 312 . 15 1 1 A 29 29 ASP C C 29 174.757 174.923 -0.166 1
1 313 . 15 1 1 A 29 29 ASP CB C 29 37.688 44.314 -6.626 1
1 315 . 15 1 1 A 30 30 TYR H H 30 7.885 8.635 -0.750 1
1 316 . 15 1 1 A 30 30 TYR HA H 30 4.554 4.241 0.313 1
1 323 . 15 1 1 A 30 30 TYR C C 30 175.274 176.666 -1.392 1
1 324 . 15 1 1 A 30 30 TYR CA C 30 58.226 60.658 -2.432 1
1 325 . 15 1 1 A 30 30 TYR CB C 30 38.355 38.943 -0.588 1
1 330 . 15 1 1 A 30 30 TYR N N 30 119.689 122.634 -2.945 1
1 331 . 15 1 1 A 31 31 ASN H H 31 8.081 8.082 -0.001 1
1 332 . 15 1 1 A 31 31 ASN HA H 31 4.739 4.878 -0.139 1
1 337 . 15 1 1 A 31 31 ASN C C 31 174.469 175.112 -0.643 1
1 338 . 15 1 1 A 31 31 ASN CA C 31 53.266 53.989 -0.723 1
1 339 . 15 1 1 A 31 31 ASN CB C 31 38.838 40.132 -1.294 1
1 341 . 15 1 1 A 31 31 ASN N N 31 118.821 112.915 5.906 1
1 14 . 16 1 1 A 2 2 ARG H H 2 8.775 7.716 1.059 1
1 15 . 16 1 1 A 2 2 ARG HA H 2 4.494 4.702 -0.208 1
1 23 . 16 1 1 A 2 2 ARG C C 2 175.506 175.171 0.335 1
1 24 . 16 1 1 A 2 2 ARG CA C 2 56.406 55.384 1.022 1
1 27 . 16 1 1 A 2 2 ARG N N 2 123.489 119.892 3.597 1
1 28 . 16 1 1 A 3 3 SER H H 3 8.406 8.803 -0.397 1
1 29 . 16 1 1 A 3 3 SER HA H 3 4.600 4.624 -0.024 1
1 32 . 16 1 1 A 3 3 SER C C 3 174.478 174.482 -0.004 1
1 33 . 16 1 1 A 3 3 SER CA C 3 57.797 59.321 -1.524 1
1 34 . 16 1 1 A 3 3 SER CB C 3 64.546 65.920 -1.374 1
1 35 . 16 1 1 A 3 3 SER N N 3 117.028 122.165 -5.137 1
1 36 . 16 1 1 A 4 4 ARG H H 4 8.508 8.062 0.446 1
1 37 . 16 1 1 A 4 4 ARG HA H 4 4.400 4.213 0.187 1
1 45 . 16 1 1 A 4 4 ARG CA C 4 56.661 56.441 0.220 1
1 46 . 16 1 1 A 4 4 ARG CB C 4 30.943 29.822 1.121 1
1 49 . 16 1 1 A 4 4 ARG N N 4 122.829 118.433 4.396 1
1 50 . 16 1 1 A 5 5 LYS H H 5 8.256 7.864 0.392 1
1 51 . 16 1 1 A 5 5 LYS HA H 5 4.290 4.579 -0.289 1
1 60 . 16 1 1 A 5 5 LYS CA C 5 56.843 57.205 -0.362 1
1 61 . 16 1 1 A 5 5 LYS CB C 5 32.969 35.504 -2.535 1
1 65 . 16 1 1 A 5 5 LYS N N 5 120.908 119.696 1.212 1
1 66 . 16 1 1 A 6 6 ASN H H 6 8.204 8.284 -0.080 1
1 67 . 16 1 1 A 6 6 ASN HA H 6 4.757 4.460 0.297 1
1 72 . 16 1 1 A 6 6 ASN C C 6 174.392 176.595 -2.203 1
1 73 . 16 1 1 A 6 6 ASN CA C 6 53.146 56.130 -2.984 1
1 74 . 16 1 1 A 6 6 ASN CB C 6 38.927 38.364 0.563 1
1 76 . 16 1 1 A 6 6 ASN N N 6 118.424 118.677 -0.253 1
1 78 . 16 1 1 A 7 7 GLY H H 7 8.307 8.143 0.164 1
1 79 . 16 1 1 A 7 7 GLY HA2 H 7 4.059 3.926 0.133 1
1 80 . 16 1 1 A 7 7 GLY HA3 H 7 4.094 3.978 0.116 1
1 81 . 16 1 1 A 7 7 GLY CA C 7 45.902 46.902 -1.000 1
1 82 . 16 1 1 A 7 7 GLY N N 7 108.391 105.764 2.627 1
1 83 . 16 1 1 A 8 8 ILE H H 8 7.989 8.137 -0.148 1
1 84 . 16 1 1 A 8 8 ILE HA H 8 4.126 3.853 0.273 1
1 94 . 16 1 1 A 8 8 ILE C C 8 176.811 177.678 -0.867 1
1 95 . 16 1 1 A 8 8 ILE CA C 8 63.018 65.219 -2.201 1
1 96 . 16 1 1 A 8 8 ILE CB C 8 38.402 37.859 0.543 1
1 100 . 16 1 1 A 8 8 ILE N N 8 120.369 124.220 -3.851 1
1 101 . 16 1 1 A 9 9 GLY H H 9 8.243 8.149 0.094 1
1 102 . 16 1 1 A 9 9 GLY HA2 H 9 3.844 4.182 -0.338 1
1 103 . 16 1 1 A 9 9 GLY HA3 H 9 3.844 4.244 -0.400 1
1 104 . 16 1 1 A 9 9 GLY CA C 9 46.491 45.656 0.835 1
1 105 . 16 1 1 A 9 9 GLY N N 9 108.169 109.449 -1.280 1
1 106 . 16 1 1 A 10 10 TYR H H 10 7.763 8.025 -0.262 1
1 107 . 16 1 1 A 10 10 TYR HA H 10 4.408 4.720 -0.312 1
1 114 . 16 1 1 A 10 10 TYR CA C 10 59.789 59.619 0.170 1
1 115 . 16 1 1 A 10 10 TYR CB C 10 38.316 37.696 0.620 1
1 120 . 16 1 1 A 10 10 TYR N N 10 119.911 119.362 0.549 1
1 121 . 16 1 1 A 11 11 ALA H H 11 7.899 8.382 -0.483 1
1 122 . 16 1 1 A 11 11 ALA HA H 11 4.229 4.135 0.094 1
1 126 . 16 1 1 A 11 11 ALA C C 11 179.361 179.850 -0.489 1
1 127 . 16 1 1 A 11 11 ALA CA C 11 54.791 55.167 -0.376 1
1 128 . 16 1 1 A 11 11 ALA CB C 11 17.766 18.318 -0.552 1
1 129 . 16 1 1 A 11 11 ALA N N 11 122.809 122.468 0.341 1
1 130 . 16 1 1 A 12 12 ILE H H 12 8.091 8.221 -0.130 1
1 131 . 16 1 1 A 12 12 ILE HA H 12 3.927 3.823 0.104 1
1 141 . 16 1 1 A 12 12 ILE CA C 12 64.005 65.218 -1.213 1
1 142 . 16 1 1 A 12 12 ILE CB C 12 38.109 37.970 0.139 1
1 146 . 16 1 1 A 12 12 ILE N N 12 117.663 119.083 -1.420 1
1 147 . 16 1 1 A 13 13 GLY H H 13 8.014 7.812 0.202 1
1 148 . 16 1 1 A 13 13 GLY HA2 H 13 3.974 3.805 0.169 1
1 149 . 16 1 1 A 13 13 GLY HA3 H 13 4.136 3.925 0.211 1
1 150 . 16 1 1 A 13 13 GLY N N 13 108.042 107.941 0.101 1
1 151 . 16 1 1 A 14 14 TYR H H 14 8.158 8.007 0.151 1
1 152 . 16 1 1 A 14 14 TYR HA H 14 4.310 4.084 0.226 1
1 159 . 16 1 1 A 14 14 TYR CA C 14 60.839 60.447 0.392 1
1 160 . 16 1 1 A 14 14 TYR CB C 14 38.340 38.611 -0.271 1
1 165 . 16 1 1 A 14 14 TYR N N 14 121.815 123.629 -1.814 1
1 166 . 16 1 1 A 15 15 ALA H H 15 8.233 7.889 0.344 1
1 167 . 16 1 1 A 15 15 ALA HA H 15 4.162 4.159 0.003 1
1 171 . 16 1 1 A 15 15 ALA C C 15 179.200 179.962 -0.762 1
1 172 . 16 1 1 A 15 15 ALA CA C 15 55.091 55.072 0.019 1
1 173 . 16 1 1 A 15 15 ALA CB C 15 17.743 18.404 -0.661 1
1 174 . 16 1 1 A 15 15 ALA N N 15 123.427 121.660 1.767 1
1 175 . 16 1 1 A 16 16 PHE H H 16 8.531 8.445 0.086 1
1 176 . 16 1 1 A 16 16 PHE HA H 16 4.363 3.527 0.836 1
1 184 . 16 1 1 A 16 16 PHE CA C 16 60.569 57.974 2.595 1
1 185 . 16 1 1 A 16 16 PHE CB C 16 43.263 37.660 5.603 1
1 190 . 16 1 1 A 16 16 PHE N N 16 116.921 116.934 -0.013 1
1 191 . 16 1 1 A 17 17 GLY H H 17 8.095 9.152 -1.057 1
1 192 . 16 1 1 A 17 17 GLY HA2 H 17 3.893 3.762 0.131 1
1 193 . 16 1 1 A 17 17 GLY HA3 H 17 3.893 3.807 0.086 1
1 194 . 16 1 1 A 17 17 GLY CA C 17 46.840 46.845 -0.005 1
1 195 . 16 1 1 A 17 17 GLY N N 17 105.887 108.586 -2.699 1
1 196 . 16 1 1 A 18 18 ALA H H 18 7.858 7.697 0.161 1
1 197 . 16 1 1 A 18 18 ALA HA H 18 4.088 3.969 0.119 1
1 201 . 16 1 1 A 18 18 ALA C C 18 180.375 179.639 0.736 1
1 202 . 16 1 1 A 18 18 ALA CA C 18 55.324 54.634 0.690 1
1 203 . 16 1 1 A 18 18 ALA CB C 18 17.605 18.432 -0.827 1
1 204 . 16 1 1 A 18 18 ALA N N 18 123.999 124.804 -0.805 1
1 205 . 16 1 1 A 19 19 VAL H H 19 7.970 8.350 -0.380 1
1 206 . 16 1 1 A 19 19 VAL HA H 19 3.669 3.523 0.146 1
1 214 . 16 1 1 A 19 19 VAL CA C 19 66.502 66.138 0.364 1
1 215 . 16 1 1 A 19 19 VAL CB C 19 31.765 31.750 0.015 1
1 218 . 16 1 1 A 19 19 VAL N N 19 119.834 118.662 1.172 1
1 219 . 16 1 1 A 20 20 GLU H H 20 8.263 7.736 0.527 1
1 220 . 16 1 1 A 20 20 GLU HA H 20 3.866 4.117 -0.251 1
1 225 . 16 1 1 A 20 20 GLU CA C 20 59.604 59.527 0.077 1
1 226 . 16 1 1 A 20 20 GLU CB C 20 27.822 29.485 -1.663 1
1 229 . 16 1 1 A 20 20 GLU N N 20 118.154 119.498 -1.344 1
1 230 . 16 1 1 A 21 21 ARG H H 21 8.007 7.629 0.378 1
1 231 . 16 1 1 A 21 21 ARG HA H 21 3.974 3.982 -0.008 1
1 238 . 16 1 1 A 21 21 ARG CA C 21 59.705 59.032 0.673 1
1 239 . 16 1 1 A 21 21 ARG CB C 21 30.141 29.746 0.395 1
1 241 . 16 1 1 A 22 22 ALA H H 22 7.930 7.665 0.265 1
1 242 . 16 1 1 A 22 22 ALA HA H 22 4.201 4.044 0.157 1
1 246 . 16 1 1 A 22 22 ALA C C 22 180.595 180.262 0.333 1
1 247 . 16 1 1 A 22 22 ALA CA C 22 55.046 55.092 -0.046 1
1 248 . 16 1 1 A 22 22 ALA CB C 22 17.756 18.394 -0.638 1
1 249 . 16 1 1 A 22 22 ALA N N 22 122.985 122.039 0.946 1
1 250 . 16 1 1 A 23 23 VAL H H 23 8.512 7.848 0.664 1
1 251 . 16 1 1 A 23 23 VAL HA H 23 3.778 3.630 0.148 1
1 259 . 16 1 1 A 23 23 VAL CA C 23 66.053 66.402 -0.349 1
1 260 . 16 1 1 A 23 23 VAL CB C 23 32.037 31.023 1.014 1
1 263 . 16 1 1 A 23 23 VAL N N 23 119.108 118.060 1.048 1
1 264 . 16 1 1 A 24 24 LEU H H 24 8.480 8.199 0.281 1
1 265 . 16 1 1 A 24 24 LEU HA H 24 4.235 3.953 0.282 1
1 275 . 16 1 1 A 24 24 LEU CA C 24 57.204 57.857 -0.653 1
1 276 . 16 1 1 A 24 24 LEU CB C 24 41.761 42.038 -0.277 1
1 279 . 16 1 1 A 24 24 LEU N N 24 120.029 121.852 -1.823 1
1 280 . 16 1 1 A 25 25 GLY H H 25 8.146 7.945 0.201 1
1 281 . 16 1 1 A 25 25 GLY HA2 H 25 3.965 3.693 0.272 1
1 282 . 16 1 1 A 25 25 GLY HA3 H 25 4.027 3.693 0.334 1
1 283 . 16 1 1 A 25 25 GLY CA C 25 46.078 47.025 -0.947 1
1 284 . 16 1 1 A 25 25 GLY N N 25 106.295 106.727 -0.432 1
1 285 . 16 1 1 A 26 26 GLY H H 26 7.995 7.683 0.312 1
1 286 . 16 1 1 A 26 26 GLY HA2 H 26 3.891 4.007 -0.116 1
1 287 . 16 1 1 A 26 26 GLY HA3 H 26 3.891 4.019 -0.128 1
1 288 . 16 1 1 A 26 26 GLY N N 26 106.665 109.204 -2.539 1
1 289 . 16 1 1 A 27 27 SER H H 27 8.068 8.445 -0.377 1
1 290 . 16 1 1 A 27 27 SER HA H 27 4.415 4.862 -0.447 1
1 293 . 16 1 1 A 27 27 SER CB C 27 63.608 64.827 -1.219 1
1 294 . 16 1 1 A 27 27 SER N N 27 115.282 115.250 0.032 1
1 295 . 16 1 1 A 28 28 ARG H H 28 7.987 8.839 -0.852 1
1 296 . 16 1 1 A 28 28 ARG HA H 28 4.353 3.520 0.833 1
1 304 . 16 1 1 A 28 28 ARG CA C 28 56.445 56.496 -0.051 1
1 307 . 16 1 1 A 28 28 ARG N N 28 120.986 119.648 1.338 1
1 308 . 16 1 1 A 29 29 ASP H H 29 8.095 7.815 0.280 1
1 309 . 16 1 1 A 29 29 ASP HA H 29 4.727 4.239 0.488 1
1 312 . 16 1 1 A 29 29 ASP C C 29 174.757 175.628 -0.871 1
1 313 . 16 1 1 A 29 29 ASP CB C 29 37.688 40.689 -3.001 1
1 315 . 16 1 1 A 30 30 TYR H H 30 7.885 7.751 0.134 1
1 316 . 16 1 1 A 30 30 TYR HA H 30 4.554 4.218 0.336 1
1 323 . 16 1 1 A 30 30 TYR C C 30 175.274 174.819 0.455 1
1 324 . 16 1 1 A 30 30 TYR CA C 30 58.226 58.611 -0.385 1
1 325 . 16 1 1 A 30 30 TYR CB C 30 38.355 35.942 2.413 1
1 330 . 16 1 1 A 30 30 TYR N N 30 119.689 117.472 2.217 1
1 331 . 16 1 1 A 31 31 ASN H H 31 8.081 8.110 -0.029 1
1 332 . 16 1 1 A 31 31 ASN HA H 31 4.739 4.952 -0.213 1
1 337 . 16 1 1 A 31 31 ASN C C 31 174.469 175.543 -1.074 1
1 338 . 16 1 1 A 31 31 ASN CA C 31 53.266 54.564 -1.298 1
1 339 . 16 1 1 A 31 31 ASN CB C 31 38.838 40.445 -1.607 1
1 341 . 16 1 1 A 31 31 ASN N N 31 118.821 117.551 1.270 1
1 14 . 17 1 1 A 2 2 ARG H H 2 8.775 8.472 0.303 1
1 15 . 17 1 1 A 2 2 ARG HA H 2 4.494 4.234 0.260 1
1 23 . 17 1 1 A 2 2 ARG C C 2 175.506 175.540 -0.034 1
1 24 . 17 1 1 A 2 2 ARG CA C 2 56.406 56.322 0.084 1
1 27 . 17 1 1 A 2 2 ARG N N 2 123.489 125.586 -2.097 1
1 28 . 17 1 1 A 3 3 SER H H 3 8.406 8.374 0.032 1
1 29 . 17 1 1 A 3 3 SER HA H 3 4.600 4.821 -0.221 1
1 32 . 17 1 1 A 3 3 SER C C 3 174.478 173.710 0.768 1
1 33 . 17 1 1 A 3 3 SER CA C 3 57.797 57.497 0.300 1
1 34 . 17 1 1 A 3 3 SER CB C 3 64.546 65.555 -1.009 1
1 35 . 17 1 1 A 3 3 SER N N 3 117.028 115.598 1.430 1
1 36 . 17 1 1 A 4 4 ARG H H 4 8.508 9.102 -0.594 1
1 37 . 17 1 1 A 4 4 ARG HA H 4 4.400 3.929 0.471 1
1 45 . 17 1 1 A 4 4 ARG CA C 4 56.661 57.232 -0.571 1
1 46 . 17 1 1 A 4 4 ARG CB C 4 30.943 28.813 2.130 1
1 49 . 17 1 1 A 4 4 ARG N N 4 122.829 119.653 3.176 1
1 50 . 17 1 1 A 5 5 LYS H H 5 8.256 7.876 0.380 1
1 51 . 17 1 1 A 5 5 LYS HA H 5 4.290 4.436 -0.146 1
1 60 . 17 1 1 A 5 5 LYS CA C 5 56.843 55.697 1.146 1
1 61 . 17 1 1 A 5 5 LYS CB C 5 32.969 33.250 -0.281 1
1 65 . 17 1 1 A 5 5 LYS N N 5 120.908 118.693 2.215 1
1 66 . 17 1 1 A 6 6 ASN H H 6 8.204 8.138 0.066 1
1 67 . 17 1 1 A 6 6 ASN HA H 6 4.757 4.945 -0.188 1
1 72 . 17 1 1 A 6 6 ASN C C 6 174.392 176.279 -1.887 1
1 73 . 17 1 1 A 6 6 ASN CA C 6 53.146 53.921 -0.775 1
1 74 . 17 1 1 A 6 6 ASN CB C 6 38.927 41.556 -2.629 1
1 76 . 17 1 1 A 6 6 ASN N N 6 118.424 118.296 0.128 1
1 78 . 17 1 1 A 7 7 GLY H H 7 8.307 8.178 0.129 1
1 79 . 17 1 1 A 7 7 GLY HA2 H 7 4.059 4.008 0.051 1
1 80 . 17 1 1 A 7 7 GLY HA3 H 7 4.094 4.039 0.055 1
1 81 . 17 1 1 A 7 7 GLY CA C 7 45.902 45.541 0.361 1
1 82 . 17 1 1 A 7 7 GLY N N 7 108.391 106.768 1.623 1
1 83 . 17 1 1 A 8 8 ILE H H 8 7.989 7.899 0.090 1
1 84 . 17 1 1 A 8 8 ILE HA H 8 4.126 3.844 0.282 1
1 94 . 17 1 1 A 8 8 ILE C C 8 176.811 178.499 -1.688 1
1 95 . 17 1 1 A 8 8 ILE CA C 8 63.018 65.315 -2.297 1
1 96 . 17 1 1 A 8 8 ILE CB C 8 38.402 38.073 0.329 1
1 100 . 17 1 1 A 8 8 ILE N N 8 120.369 120.449 -0.080 1
1 101 . 17 1 1 A 9 9 GLY H H 9 8.243 8.201 0.042 1
1 102 . 17 1 1 A 9 9 GLY HA2 H 9 3.844 3.846 -0.002 1
1 103 . 17 1 1 A 9 9 GLY HA3 H 9 3.844 3.896 -0.052 1
1 104 . 17 1 1 A 9 9 GLY CA C 9 46.491 46.867 -0.376 1
1 105 . 17 1 1 A 9 9 GLY N N 9 108.169 108.209 -0.040 1
1 106 . 17 1 1 A 10 10 TYR H H 10 7.763 8.143 -0.380 1
1 107 . 17 1 1 A 10 10 TYR HA H 10 4.408 4.776 -0.368 1
1 114 . 17 1 1 A 10 10 TYR CA C 10 59.789 58.647 1.142 1
1 115 . 17 1 1 A 10 10 TYR CB C 10 38.316 36.996 1.320 1
1 120 . 17 1 1 A 10 10 TYR N N 10 119.911 121.555 -1.644 1
1 121 . 17 1 1 A 11 11 ALA H H 11 7.899 8.270 -0.371 1
1 122 . 17 1 1 A 11 11 ALA HA H 11 4.229 4.085 0.144 1
1 126 . 17 1 1 A 11 11 ALA C C 11 179.361 179.779 -0.418 1
1 127 . 17 1 1 A 11 11 ALA CA C 11 54.791 55.189 -0.398 1
1 128 . 17 1 1 A 11 11 ALA CB C 11 17.766 18.668 -0.902 1
1 129 . 17 1 1 A 11 11 ALA N N 11 122.809 122.371 0.438 1
1 130 . 17 1 1 A 12 12 ILE H H 12 8.091 7.913 0.178 1
1 131 . 17 1 1 A 12 12 ILE HA H 12 3.927 3.798 0.129 1
1 141 . 17 1 1 A 12 12 ILE CA C 12 64.005 65.152 -1.147 1
1 142 . 17 1 1 A 12 12 ILE CB C 12 38.109 38.047 0.062 1
1 146 . 17 1 1 A 12 12 ILE N N 12 117.663 118.148 -0.485 1
1 147 . 17 1 1 A 13 13 GLY H H 13 8.014 8.120 -0.106 1
1 148 . 17 1 1 A 13 13 GLY HA2 H 13 3.974 3.819 0.155 1
1 149 . 17 1 1 A 13 13 GLY HA3 H 13 4.136 3.948 0.188 1
1 150 . 17 1 1 A 13 13 GLY N N 13 108.042 107.899 0.143 1
1 151 . 17 1 1 A 14 14 TYR H H 14 8.158 8.053 0.105 1
1 152 . 17 1 1 A 14 14 TYR HA H 14 4.310 4.003 0.307 1
1 159 . 17 1 1 A 14 14 TYR CA C 14 60.839 59.793 1.046 1
1 160 . 17 1 1 A 14 14 TYR CB C 14 38.340 38.716 -0.376 1
1 165 . 17 1 1 A 14 14 TYR N N 14 121.815 123.752 -1.937 1
1 166 . 17 1 1 A 15 15 ALA H H 15 8.233 8.024 0.209 1
1 167 . 17 1 1 A 15 15 ALA HA H 15 4.162 4.192 -0.030 1
1 171 . 17 1 1 A 15 15 ALA C C 15 179.200 180.089 -0.889 1
1 172 . 17 1 1 A 15 15 ALA CA C 15 55.091 55.046 0.045 1
1 173 . 17 1 1 A 15 15 ALA CB C 15 17.743 18.323 -0.580 1
1 174 . 17 1 1 A 15 15 ALA N N 15 123.427 121.577 1.850 1
1 175 . 17 1 1 A 16 16 PHE H H 16 8.531 8.495 0.036 1
1 176 . 17 1 1 A 16 16 PHE HA H 16 4.363 3.591 0.772 1
1 184 . 17 1 1 A 16 16 PHE CA C 16 60.569 57.669 2.900 1
1 185 . 17 1 1 A 16 16 PHE CB C 16 43.263 37.382 5.881 1
1 190 . 17 1 1 A 16 16 PHE N N 16 116.921 116.735 0.186 1
1 191 . 17 1 1 A 17 17 GLY H H 17 8.095 8.947 -0.852 1
1 192 . 17 1 1 A 17 17 GLY HA2 H 17 3.893 3.771 0.122 1
1 193 . 17 1 1 A 17 17 GLY HA3 H 17 3.893 3.821 0.072 1
1 194 . 17 1 1 A 17 17 GLY CA C 17 46.840 46.864 -0.024 1
1 195 . 17 1 1 A 17 17 GLY N N 17 105.887 107.551 -1.664 1
1 196 . 17 1 1 A 18 18 ALA H H 18 7.858 7.701 0.157 1
1 197 . 17 1 1 A 18 18 ALA HA H 18 4.088 3.978 0.110 1
1 201 . 17 1 1 A 18 18 ALA C C 18 180.375 179.732 0.643 1
1 202 . 17 1 1 A 18 18 ALA CA C 18 55.324 54.646 0.678 1
1 203 . 17 1 1 A 18 18 ALA CB C 18 17.605 18.445 -0.840 1
1 204 . 17 1 1 A 18 18 ALA N N 18 123.999 124.829 -0.830 1
1 205 . 17 1 1 A 19 19 VAL H H 19 7.970 8.272 -0.302 1
1 206 . 17 1 1 A 19 19 VAL HA H 19 3.669 3.548 0.121 1
1 214 . 17 1 1 A 19 19 VAL CA C 19 66.502 66.227 0.275 1
1 215 . 17 1 1 A 19 19 VAL CB C 19 31.765 31.811 -0.046 1
1 218 . 17 1 1 A 19 19 VAL N N 19 119.834 118.681 1.153 1
1 219 . 17 1 1 A 20 20 GLU H H 20 8.263 7.711 0.552 1
1 220 . 17 1 1 A 20 20 GLU HA H 20 3.866 4.125 -0.259 1
1 225 . 17 1 1 A 20 20 GLU CA C 20 59.604 59.547 0.057 1
1 226 . 17 1 1 A 20 20 GLU CB C 20 27.822 29.471 -1.649 1
1 229 . 17 1 1 A 20 20 GLU N N 20 118.154 119.507 -1.353 1
1 230 . 17 1 1 A 21 21 ARG H H 21 8.007 7.629 0.378 1
1 231 . 17 1 1 A 21 21 ARG HA H 21 3.974 4.014 -0.040 1
1 238 . 17 1 1 A 21 21 ARG CA C 21 59.705 59.101 0.604 1
1 239 . 17 1 1 A 21 21 ARG CB C 21 30.141 29.739 0.402 1
1 241 . 17 1 1 A 22 22 ALA H H 22 7.930 7.637 0.293 1
1 242 . 17 1 1 A 22 22 ALA HA H 22 4.201 4.065 0.136 1
1 246 . 17 1 1 A 22 22 ALA C C 22 180.595 180.293 0.302 1
1 247 . 17 1 1 A 22 22 ALA CA C 22 55.046 55.075 -0.029 1
1 248 . 17 1 1 A 22 22 ALA CB C 22 17.756 18.515 -0.759 1
1 249 . 17 1 1 A 22 22 ALA N N 22 122.985 121.995 0.990 1
1 250 . 17 1 1 A 23 23 VAL H H 23 8.512 7.883 0.629 1
1 251 . 17 1 1 A 23 23 VAL HA H 23 3.778 3.685 0.093 1
1 259 . 17 1 1 A 23 23 VAL CA C 23 66.053 66.452 -0.399 1
1 260 . 17 1 1 A 23 23 VAL CB C 23 32.037 31.029 1.008 1
1 263 . 17 1 1 A 23 23 VAL N N 23 119.108 118.006 1.102 1
1 264 . 17 1 1 A 24 24 LEU H H 24 8.480 8.125 0.355 1
1 265 . 17 1 1 A 24 24 LEU HA H 24 4.235 4.001 0.234 1
1 275 . 17 1 1 A 24 24 LEU CA C 24 57.204 58.218 -1.014 1
1 276 . 17 1 1 A 24 24 LEU CB C 24 41.761 42.215 -0.454 1
1 279 . 17 1 1 A 24 24 LEU N N 24 120.029 122.089 -2.060 1
1 280 . 17 1 1 A 25 25 GLY H H 25 8.146 7.159 0.987 1
1 281 . 17 1 1 A 25 25 GLY HA2 H 25 3.965 4.081 -0.116 1
1 282 . 17 1 1 A 25 25 GLY HA3 H 25 4.027 4.083 -0.056 1
1 283 . 17 1 1 A 25 25 GLY CA C 25 46.078 45.794 0.284 1
1 284 . 17 1 1 A 25 25 GLY N N 25 106.295 106.578 -0.283 1
1 285 . 17 1 1 A 26 26 GLY H H 26 7.995 8.358 -0.363 1
1 286 . 17 1 1 A 26 26 GLY HA2 H 26 3.891 4.187 -0.296 1
1 287 . 17 1 1 A 26 26 GLY HA3 H 26 3.891 4.188 -0.297 1
1 288 . 17 1 1 A 26 26 GLY N N 26 106.665 109.121 -2.456 1
1 289 . 17 1 1 A 27 27 SER H H 27 8.068 8.517 -0.449 1
1 290 . 17 1 1 A 27 27 SER HA H 27 4.415 4.930 -0.515 1
1 293 . 17 1 1 A 27 27 SER CB C 27 63.608 65.413 -1.805 1
1 294 . 17 1 1 A 27 27 SER N N 27 115.282 115.333 -0.051 1
1 295 . 17 1 1 A 28 28 ARG H H 28 7.987 9.086 -1.099 1
1 296 . 17 1 1 A 28 28 ARG HA H 28 4.353 3.997 0.356 1
1 304 . 17 1 1 A 28 28 ARG CA C 28 56.445 56.982 -0.537 1
1 307 . 17 1 1 A 28 28 ARG N N 28 120.986 121.257 -0.271 1
1 308 . 17 1 1 A 29 29 ASP H H 29 8.095 8.192 -0.097 1
1 309 . 17 1 1 A 29 29 ASP HA H 29 4.727 4.833 -0.106 1
1 312 . 17 1 1 A 29 29 ASP C C 29 174.757 175.514 -0.757 1
1 313 . 17 1 1 A 29 29 ASP CB C 29 37.688 42.089 -4.401 1
1 315 . 17 1 1 A 30 30 TYR H H 30 7.885 8.714 -0.829 1
1 316 . 17 1 1 A 30 30 TYR HA H 30 4.554 4.934 -0.380 1
1 323 . 17 1 1 A 30 30 TYR C C 30 175.274 175.550 -0.276 1
1 324 . 17 1 1 A 30 30 TYR CA C 30 58.226 58.586 -0.360 1
1 325 . 17 1 1 A 30 30 TYR CB C 30 38.355 40.588 -2.233 1
1 330 . 17 1 1 A 30 30 TYR N N 30 119.689 119.912 -0.223 1
1 331 . 17 1 1 A 31 31 ASN H H 31 8.081 8.639 -0.558 1
1 332 . 17 1 1 A 31 31 ASN HA H 31 4.739 4.528 0.211 1
1 337 . 17 1 1 A 31 31 ASN C C 31 174.469 175.235 -0.766 1
1 338 . 17 1 1 A 31 31 ASN CA C 31 53.266 56.479 -3.213 1
1 339 . 17 1 1 A 31 31 ASN CB C 31 38.838 38.831 0.007 1
1 341 . 17 1 1 A 31 31 ASN N N 31 118.821 124.392 -5.571 1
1 14 . 18 1 1 A 2 2 ARG H H 2 8.775 8.528 0.247 1
1 15 . 18 1 1 A 2 2 ARG HA H 2 4.494 4.820 -0.326 1
1 23 . 18 1 1 A 2 2 ARG C C 2 175.506 175.469 0.037 1
1 24 . 18 1 1 A 2 2 ARG CA C 2 56.406 55.687 0.719 1
1 27 . 18 1 1 A 2 2 ARG N N 2 123.489 123.579 -0.090 1
1 28 . 18 1 1 A 3 3 SER H H 3 8.406 8.757 -0.351 1
1 29 . 18 1 1 A 3 3 SER HA H 3 4.600 4.761 -0.161 1
1 32 . 18 1 1 A 3 3 SER C C 3 174.478 174.140 0.338 1
1 33 . 18 1 1 A 3 3 SER CA C 3 57.797 58.488 -0.691 1
1 34 . 18 1 1 A 3 3 SER CB C 3 64.546 65.141 -0.595 1
1 35 . 18 1 1 A 3 3 SER N N 3 117.028 119.847 -2.819 1
1 36 . 18 1 1 A 4 4 ARG H H 4 8.508 7.754 0.754 1
1 37 . 18 1 1 A 4 4 ARG HA H 4 4.400 4.298 0.102 1
1 45 . 18 1 1 A 4 4 ARG CA C 4 56.661 55.478 1.183 1
1 46 . 18 1 1 A 4 4 ARG CB C 4 30.943 28.453 2.490 1
1 49 . 18 1 1 A 4 4 ARG N N 4 122.829 121.544 1.285 1
1 50 . 18 1 1 A 5 5 LYS H H 5 8.256 7.533 0.723 1
1 51 . 18 1 1 A 5 5 LYS HA H 5 4.290 4.456 -0.166 1
1 60 . 18 1 1 A 5 5 LYS CA C 5 56.843 55.842 1.001 1
1 61 . 18 1 1 A 5 5 LYS CB C 5 32.969 32.899 0.070 1
1 65 . 18 1 1 A 5 5 LYS N N 5 120.908 123.857 -2.949 1
1 66 . 18 1 1 A 6 6 ASN H H 6 8.204 8.041 0.163 1
1 67 . 18 1 1 A 6 6 ASN HA H 6 4.757 4.885 -0.128 1
1 72 . 18 1 1 A 6 6 ASN C C 6 174.392 175.819 -1.427 1
1 73 . 18 1 1 A 6 6 ASN CA C 6 53.146 53.510 -0.364 1
1 74 . 18 1 1 A 6 6 ASN CB C 6 38.927 41.402 -2.475 1
1 76 . 18 1 1 A 6 6 ASN N N 6 118.424 118.350 0.074 1
1 78 . 18 1 1 A 7 7 GLY H H 7 8.307 7.614 0.693 1
1 79 . 18 1 1 A 7 7 GLY HA2 H 7 4.059 3.950 0.109 1
1 80 . 18 1 1 A 7 7 GLY HA3 H 7 4.094 4.045 0.049 1
1 81 . 18 1 1 A 7 7 GLY CA C 7 45.902 45.326 0.576 1
1 82 . 18 1 1 A 7 7 GLY N N 7 108.391 107.710 0.681 1
1 83 . 18 1 1 A 8 8 ILE H H 8 7.989 8.616 -0.627 1
1 84 . 18 1 1 A 8 8 ILE HA H 8 4.126 3.883 0.243 1
1 94 . 18 1 1 A 8 8 ILE C C 8 176.811 178.377 -1.566 1
1 95 . 18 1 1 A 8 8 ILE CA C 8 63.018 65.043 -2.025 1
1 96 . 18 1 1 A 8 8 ILE CB C 8 38.402 37.876 0.526 1
1 100 . 18 1 1 A 8 8 ILE N N 8 120.369 124.019 -3.650 1
1 101 . 18 1 1 A 9 9 GLY H H 9 8.243 8.194 0.049 1
1 102 . 18 1 1 A 9 9 GLY HA2 H 9 3.844 3.843 0.001 1
1 103 . 18 1 1 A 9 9 GLY HA3 H 9 3.844 3.894 -0.050 1
1 104 . 18 1 1 A 9 9 GLY CA C 9 46.491 47.006 -0.515 1
1 105 . 18 1 1 A 9 9 GLY N N 9 108.169 108.091 0.078 1
1 106 . 18 1 1 A 10 10 TYR H H 10 7.763 8.131 -0.368 1
1 107 . 18 1 1 A 10 10 TYR HA H 10 4.408 4.773 -0.365 1
1 114 . 18 1 1 A 10 10 TYR CA C 10 59.789 58.755 1.034 1
1 115 . 18 1 1 A 10 10 TYR CB C 10 38.316 37.127 1.189 1
1 120 . 18 1 1 A 10 10 TYR N N 10 119.911 121.552 -1.641 1
1 121 . 18 1 1 A 11 11 ALA H H 11 7.899 8.166 -0.267 1
1 122 . 18 1 1 A 11 11 ALA HA H 11 4.229 4.084 0.145 1
1 126 . 18 1 1 A 11 11 ALA C C 11 179.361 179.798 -0.437 1
1 127 . 18 1 1 A 11 11 ALA CA C 11 54.791 55.163 -0.372 1
1 128 . 18 1 1 A 11 11 ALA CB C 11 17.766 18.665 -0.899 1
1 129 . 18 1 1 A 11 11 ALA N N 11 122.809 122.311 0.498 1
1 130 . 18 1 1 A 12 12 ILE H H 12 8.091 7.949 0.142 1
1 131 . 18 1 1 A 12 12 ILE HA H 12 3.927 3.799 0.128 1
1 141 . 18 1 1 A 12 12 ILE CA C 12 64.005 65.152 -1.147 1
1 142 . 18 1 1 A 12 12 ILE CB C 12 38.109 38.044 0.065 1
1 146 . 18 1 1 A 12 12 ILE N N 12 117.663 118.145 -0.482 1
1 147 . 18 1 1 A 13 13 GLY H H 13 8.014 8.074 -0.060 1
1 148 . 18 1 1 A 13 13 GLY HA2 H 13 3.974 3.822 0.152 1
1 149 . 18 1 1 A 13 13 GLY HA3 H 13 4.136 3.945 0.191 1
1 150 . 18 1 1 A 13 13 GLY N N 13 108.042 107.915 0.127 1
1 151 . 18 1 1 A 14 14 TYR H H 14 8.158 8.083 0.075 1
1 152 . 18 1 1 A 14 14 TYR HA H 14 4.310 3.920 0.390 1
1 159 . 18 1 1 A 14 14 TYR CA C 14 60.839 58.916 1.923 1
1 160 . 18 1 1 A 14 14 TYR CB C 14 38.340 38.515 -0.175 1
1 165 . 18 1 1 A 14 14 TYR N N 14 121.815 123.580 -1.765 1
1 166 . 18 1 1 A 15 15 ALA H H 15 8.233 8.037 0.196 1
1 167 . 18 1 1 A 15 15 ALA HA H 15 4.162 4.192 -0.030 1
1 171 . 18 1 1 A 15 15 ALA C C 15 179.200 180.196 -0.996 1
1 172 . 18 1 1 A 15 15 ALA CA C 15 55.091 55.045 0.046 1
1 173 . 18 1 1 A 15 15 ALA CB C 15 17.743 18.320 -0.577 1
1 174 . 18 1 1 A 15 15 ALA N N 15 123.427 121.587 1.840 1
1 175 . 18 1 1 A 16 16 PHE H H 16 8.531 8.540 -0.009 1
1 176 . 18 1 1 A 16 16 PHE HA H 16 4.363 3.591 0.772 1
1 184 . 18 1 1 A 16 16 PHE CA C 16 60.569 57.893 2.676 1
1 185 . 18 1 1 A 16 16 PHE CB C 16 43.263 37.453 5.810 1
1 190 . 18 1 1 A 16 16 PHE N N 16 116.921 116.856 0.065 1
1 191 . 18 1 1 A 17 17 GLY H H 17 8.095 8.551 -0.456 1
1 192 . 18 1 1 A 17 17 GLY HA2 H 17 3.893 3.798 0.095 1
1 193 . 18 1 1 A 17 17 GLY HA3 H 17 3.893 3.850 0.043 1
1 194 . 18 1 1 A 17 17 GLY CA C 17 46.840 46.932 -0.092 1
1 195 . 18 1 1 A 17 17 GLY N N 17 105.887 106.301 -0.414 1
1 196 . 18 1 1 A 18 18 ALA H H 18 7.858 7.783 0.075 1
1 197 . 18 1 1 A 18 18 ALA HA H 18 4.088 3.985 0.103 1
1 201 . 18 1 1 A 18 18 ALA C C 18 180.375 179.655 0.720 1
1 202 . 18 1 1 A 18 18 ALA CA C 18 55.324 54.650 0.674 1
1 203 . 18 1 1 A 18 18 ALA CB C 18 17.605 18.452 -0.847 1
1 204 . 18 1 1 A 18 18 ALA N N 18 123.999 124.861 -0.862 1
1 205 . 18 1 1 A 19 19 VAL H H 19 7.970 8.265 -0.295 1
1 206 . 18 1 1 A 19 19 VAL HA H 19 3.669 3.544 0.125 1
1 214 . 18 1 1 A 19 19 VAL CA C 19 66.502 66.150 0.352 1
1 215 . 18 1 1 A 19 19 VAL CB C 19 31.765 31.809 -0.044 1
1 218 . 18 1 1 A 19 19 VAL N N 19 119.834 118.677 1.157 1
1 219 . 18 1 1 A 20 20 GLU H H 20 8.263 7.643 0.620 1
1 220 . 18 1 1 A 20 20 GLU HA H 20 3.866 4.128 -0.262 1
1 225 . 18 1 1 A 20 20 GLU CA C 20 59.604 59.544 0.060 1
1 226 . 18 1 1 A 20 20 GLU CB C 20 27.822 29.456 -1.634 1
1 229 . 18 1 1 A 20 20 GLU N N 20 118.154 119.523 -1.369 1
1 230 . 18 1 1 A 21 21 ARG H H 21 8.007 7.655 0.352 1
1 231 . 18 1 1 A 21 21 ARG HA H 21 3.974 3.995 -0.021 1
1 238 . 18 1 1 A 21 21 ARG CA C 21 59.705 59.060 0.645 1
1 239 . 18 1 1 A 21 21 ARG CB C 21 30.141 29.746 0.395 1
1 241 . 18 1 1 A 22 22 ALA H H 22 7.930 7.652 0.278 1
1 242 . 18 1 1 A 22 22 ALA HA H 22 4.201 4.073 0.128 1
1 246 . 18 1 1 A 22 22 ALA C C 22 180.595 180.041 0.554 1
1 247 . 18 1 1 A 22 22 ALA CA C 22 55.046 55.139 -0.093 1
1 248 . 18 1 1 A 22 22 ALA CB C 22 17.756 18.462 -0.706 1
1 249 . 18 1 1 A 22 22 ALA N N 22 122.985 122.132 0.853 1
1 250 . 18 1 1 A 23 23 VAL H H 23 8.512 7.867 0.645 1
1 251 . 18 1 1 A 23 23 VAL HA H 23 3.778 3.735 0.043 1
1 259 . 18 1 1 A 23 23 VAL CA C 23 66.053 66.653 -0.600 1
1 260 . 18 1 1 A 23 23 VAL CB C 23 32.037 31.625 0.412 1
1 263 . 18 1 1 A 23 23 VAL N N 23 119.108 118.058 1.050 1
1 264 . 18 1 1 A 24 24 LEU H H 24 8.480 8.043 0.437 1
1 265 . 18 1 1 A 24 24 LEU HA H 24 4.235 4.055 0.180 1
1 275 . 18 1 1 A 24 24 LEU CA C 24 57.204 57.950 -0.746 1
1 276 . 18 1 1 A 24 24 LEU CB C 24 41.761 42.176 -0.415 1
1 279 . 18 1 1 A 24 24 LEU N N 24 120.029 120.835 -0.806 1
1 280 . 18 1 1 A 25 25 GLY H H 25 8.146 7.341 0.805 1
1 281 . 18 1 1 A 25 25 GLY HA2 H 25 3.965 4.112 -0.147 1
1 282 . 18 1 1 A 25 25 GLY HA3 H 25 4.027 4.114 -0.087 1
1 283 . 18 1 1 A 25 25 GLY CA C 25 46.078 45.765 0.313 1
1 284 . 18 1 1 A 25 25 GLY N N 25 106.295 106.685 -0.390 1
1 285 . 18 1 1 A 26 26 GLY H H 26 7.995 8.113 -0.118 1
1 286 . 18 1 1 A 26 26 GLY HA2 H 26 3.891 4.056 -0.165 1
1 287 . 18 1 1 A 26 26 GLY HA3 H 26 3.891 4.062 -0.171 1
1 288 . 18 1 1 A 26 26 GLY N N 26 106.665 108.057 -1.392 1
1 289 . 18 1 1 A 27 27 SER H H 27 8.068 7.692 0.376 1
1 290 . 18 1 1 A 27 27 SER HA H 27 4.415 4.376 0.039 1
1 293 . 18 1 1 A 27 27 SER CB C 27 63.608 63.889 -0.281 1
1 294 . 18 1 1 A 27 27 SER N N 27 115.282 115.893 -0.611 1
1 295 . 18 1 1 A 28 28 ARG H H 28 7.987 8.605 -0.618 1
1 296 . 18 1 1 A 28 28 ARG HA H 28 4.353 4.258 0.095 1
1 304 . 18 1 1 A 28 28 ARG CA C 28 56.445 56.155 0.290 1
1 307 . 18 1 1 A 28 28 ARG N N 28 120.986 122.208 -1.222 1
1 308 . 18 1 1 A 29 29 ASP H H 29 8.095 8.035 0.060 1
1 309 . 18 1 1 A 29 29 ASP HA H 29 4.727 4.670 0.057 1
1 312 . 18 1 1 A 29 29 ASP C C 29 174.757 174.131 0.626 1
1 313 . 18 1 1 A 29 29 ASP CB C 29 37.688 42.749 -5.061 1
1 315 . 18 1 1 A 30 30 TYR H H 30 7.885 8.866 -0.981 1
1 316 . 18 1 1 A 30 30 TYR HA H 30 4.554 4.183 0.371 1
1 323 . 18 1 1 A 30 30 TYR C C 30 175.274 175.610 -0.336 1
1 324 . 18 1 1 A 30 30 TYR CA C 30 58.226 58.474 -0.248 1
1 325 . 18 1 1 A 30 30 TYR CB C 30 38.355 36.211 2.144 1
1 330 . 18 1 1 A 30 30 TYR N N 30 119.689 117.254 2.435 1
1 331 . 18 1 1 A 31 31 ASN H H 31 8.081 8.452 -0.371 1
1 332 . 18 1 1 A 31 31 ASN HA H 31 4.739 4.991 -0.252 1
1 337 . 18 1 1 A 31 31 ASN C C 31 174.469 175.520 -1.051 1
1 338 . 18 1 1 A 31 31 ASN CA C 31 53.266 54.193 -0.927 1
1 339 . 18 1 1 A 31 31 ASN CB C 31 38.838 41.307 -2.469 1
1 341 . 18 1 1 A 31 31 ASN N N 31 118.821 116.469 2.352 1
1 14 . 19 1 1 A 2 2 ARG H H 2 8.775 8.593 0.182 1
1 15 . 19 1 1 A 2 2 ARG HA H 2 4.494 4.598 -0.104 1
1 23 . 19 1 1 A 2 2 ARG C C 2 175.506 175.771 -0.265 1
1 24 . 19 1 1 A 2 2 ARG CA C 2 56.406 55.111 1.295 1
1 27 . 19 1 1 A 2 2 ARG N N 2 123.489 123.405 0.084 1
1 28 . 19 1 1 A 3 3 SER H H 3 8.406 8.317 0.089 1
1 29 . 19 1 1 A 3 3 SER HA H 3 4.600 4.645 -0.045 1
1 32 . 19 1 1 A 3 3 SER C C 3 174.478 174.105 0.373 1
1 33 . 19 1 1 A 3 3 SER CA C 3 57.797 59.458 -1.661 1
1 34 . 19 1 1 A 3 3 SER CB C 3 64.546 65.931 -1.385 1
1 35 . 19 1 1 A 3 3 SER N N 3 117.028 120.405 -3.377 1
1 36 . 19 1 1 A 4 4 ARG H H 4 8.508 8.456 0.052 1
1 37 . 19 1 1 A 4 4 ARG HA H 4 4.400 4.369 0.031 1
1 45 . 19 1 1 A 4 4 ARG CA C 4 56.661 55.537 1.124 1
1 46 . 19 1 1 A 4 4 ARG CB C 4 30.943 28.524 2.419 1
1 49 . 19 1 1 A 4 4 ARG N N 4 122.829 119.913 2.916 1
1 50 . 19 1 1 A 5 5 LYS H H 5 8.256 7.541 0.715 1
1 51 . 19 1 1 A 5 5 LYS HA H 5 4.290 4.511 -0.221 1
1 60 . 19 1 1 A 5 5 LYS CA C 5 56.843 56.047 0.796 1
1 61 . 19 1 1 A 5 5 LYS CB C 5 32.969 32.911 0.058 1
1 65 . 19 1 1 A 5 5 LYS N N 5 120.908 121.983 -1.075 1
1 66 . 19 1 1 A 6 6 ASN H H 6 8.204 8.206 -0.002 1
1 67 . 19 1 1 A 6 6 ASN HA H 6 4.757 4.886 -0.129 1
1 72 . 19 1 1 A 6 6 ASN C C 6 174.392 175.614 -1.222 1
1 73 . 19 1 1 A 6 6 ASN CA C 6 53.146 53.902 -0.756 1
1 74 . 19 1 1 A 6 6 ASN CB C 6 38.927 41.463 -2.536 1
1 76 . 19 1 1 A 6 6 ASN N N 6 118.424 118.658 -0.234 1
1 78 . 19 1 1 A 7 7 GLY H H 7 8.307 7.830 0.477 1
1 79 . 19 1 1 A 7 7 GLY HA2 H 7 4.059 3.787 0.272 1
1 80 . 19 1 1 A 7 7 GLY HA3 H 7 4.094 3.930 0.164 1
1 81 . 19 1 1 A 7 7 GLY CA C 7 45.902 47.119 -1.217 1
1 82 . 19 1 1 A 7 7 GLY N N 7 108.391 107.296 1.095 1
1 83 . 19 1 1 A 8 8 ILE H H 8 7.989 8.034 -0.045 1
1 84 . 19 1 1 A 8 8 ILE HA H 8 4.126 3.888 0.238 1
1 94 . 19 1 1 A 8 8 ILE C C 8 176.811 177.801 -0.990 1
1 95 . 19 1 1 A 8 8 ILE CA C 8 63.018 65.366 -2.348 1
1 96 . 19 1 1 A 8 8 ILE CB C 8 38.402 38.098 0.304 1
1 100 . 19 1 1 A 8 8 ILE N N 8 120.369 123.005 -2.636 1
1 101 . 19 1 1 A 9 9 GLY H H 9 8.243 8.205 0.038 1
1 102 . 19 1 1 A 9 9 GLY HA2 H 9 3.844 4.151 -0.307 1
1 103 . 19 1 1 A 9 9 GLY HA3 H 9 3.844 4.191 -0.347 1
1 104 . 19 1 1 A 9 9 GLY CA C 9 46.491 45.535 0.956 1
1 105 . 19 1 1 A 9 9 GLY N N 9 108.169 109.320 -1.151 1
1 106 . 19 1 1 A 10 10 TYR H H 10 7.763 8.053 -0.290 1
1 107 . 19 1 1 A 10 10 TYR HA H 10 4.408 4.716 -0.308 1
1 114 . 19 1 1 A 10 10 TYR CA C 10 59.789 59.655 0.134 1
1 115 . 19 1 1 A 10 10 TYR CB C 10 38.316 37.914 0.402 1
1 120 . 19 1 1 A 10 10 TYR N N 10 119.911 119.372 0.539 1
1 121 . 19 1 1 A 11 11 ALA H H 11 7.899 8.391 -0.492 1
1 122 . 19 1 1 A 11 11 ALA HA H 11 4.229 4.115 0.114 1
1 126 . 19 1 1 A 11 11 ALA C C 11 179.361 179.546 -0.185 1
1 127 . 19 1 1 A 11 11 ALA CA C 11 54.791 55.260 -0.469 1
1 128 . 19 1 1 A 11 11 ALA CB C 11 17.766 18.450 -0.684 1
1 129 . 19 1 1 A 11 11 ALA N N 11 122.809 122.377 0.432 1
1 130 . 19 1 1 A 12 12 ILE H H 12 8.091 8.211 -0.120 1
1 131 . 19 1 1 A 12 12 ILE HA H 12 3.927 3.826 0.101 1
1 141 . 19 1 1 A 12 12 ILE CA C 12 64.005 65.196 -1.191 1
1 142 . 19 1 1 A 12 12 ILE CB C 12 38.109 38.074 0.035 1
1 146 . 19 1 1 A 12 12 ILE N N 12 117.663 118.671 -1.008 1
1 147 . 19 1 1 A 13 13 GLY H H 13 8.014 7.689 0.325 1
1 148 . 19 1 1 A 13 13 GLY HA2 H 13 3.974 3.815 0.159 1
1 149 . 19 1 1 A 13 13 GLY HA3 H 13 4.136 3.933 0.203 1
1 150 . 19 1 1 A 13 13 GLY N N 13 108.042 107.933 0.109 1
1 151 . 19 1 1 A 14 14 TYR H H 14 8.158 8.033 0.125 1
1 152 . 19 1 1 A 14 14 TYR HA H 14 4.310 4.050 0.260 1
1 159 . 19 1 1 A 14 14 TYR CA C 14 60.839 60.208 0.631 1
1 160 . 19 1 1 A 14 14 TYR CB C 14 38.340 38.741 -0.401 1
1 165 . 19 1 1 A 14 14 TYR N N 14 121.815 123.731 -1.916 1
1 166 . 19 1 1 A 15 15 ALA H H 15 8.233 8.054 0.179 1
1 167 . 19 1 1 A 15 15 ALA HA H 15 4.162 4.196 -0.034 1
1 171 . 19 1 1 A 15 15 ALA C C 15 179.200 179.997 -0.797 1
1 172 . 19 1 1 A 15 15 ALA CA C 15 55.091 55.049 0.042 1
1 173 . 19 1 1 A 15 15 ALA CB C 15 17.743 18.330 -0.587 1
1 174 . 19 1 1 A 15 15 ALA N N 15 123.427 121.593 1.834 1
1 175 . 19 1 1 A 16 16 PHE H H 16 8.531 8.360 0.171 1
1 176 . 19 1 1 A 16 16 PHE HA H 16 4.363 3.864 0.499 1
1 184 . 19 1 1 A 16 16 PHE CA C 16 60.569 59.693 0.876 1
1 185 . 19 1 1 A 16 16 PHE CB C 16 43.263 38.485 4.778 1
1 190 . 19 1 1 A 16 16 PHE N N 16 116.921 116.886 0.035 1
1 191 . 19 1 1 A 17 17 GLY H H 17 8.095 8.967 -0.872 1
1 192 . 19 1 1 A 17 17 GLY HA2 H 17 3.893 3.776 0.117 1
1 193 . 19 1 1 A 17 17 GLY HA3 H 17 3.893 3.826 0.067 1
1 194 . 19 1 1 A 17 17 GLY CA C 17 46.840 46.894 -0.054 1
1 195 . 19 1 1 A 17 17 GLY N N 17 105.887 107.789 -1.902 1
1 196 . 19 1 1 A 18 18 ALA H H 18 7.858 7.510 0.348 1
1 197 . 19 1 1 A 18 18 ALA HA H 18 4.088 3.972 0.116 1
1 201 . 19 1 1 A 18 18 ALA C C 18 180.375 179.723 0.652 1
1 202 . 19 1 1 A 18 18 ALA CA C 18 55.324 54.639 0.685 1
1 203 . 19 1 1 A 18 18 ALA CB C 18 17.605 18.440 -0.835 1
1 204 . 19 1 1 A 18 18 ALA N N 18 123.999 124.792 -0.793 1
1 205 . 19 1 1 A 19 19 VAL H H 19 7.970 8.474 -0.504 1
1 206 . 19 1 1 A 19 19 VAL HA H 19 3.669 3.506 0.163 1
1 214 . 19 1 1 A 19 19 VAL CA C 19 66.502 66.354 0.148 1
1 215 . 19 1 1 A 19 19 VAL CB C 19 31.765 31.715 0.050 1
1 218 . 19 1 1 A 19 19 VAL N N 19 119.834 118.678 1.156 1
1 219 . 19 1 1 A 20 20 GLU H H 20 8.263 7.707 0.556 1
1 220 . 19 1 1 A 20 20 GLU HA H 20 3.866 4.120 -0.254 1
1 225 . 19 1 1 A 20 20 GLU CA C 20 59.604 59.543 0.061 1
1 226 . 19 1 1 A 20 20 GLU CB C 20 27.822 29.457 -1.635 1
1 229 . 19 1 1 A 20 20 GLU N N 20 118.154 119.392 -1.238 1
1 230 . 19 1 1 A 21 21 ARG H H 21 8.007 7.671 0.336 1
1 231 . 19 1 1 A 21 21 ARG HA H 21 3.974 3.972 0.002 1
1 238 . 19 1 1 A 21 21 ARG CA C 21 59.705 59.083 0.622 1
1 239 . 19 1 1 A 21 21 ARG CB C 21 30.141 29.967 0.174 1
1 241 . 19 1 1 A 22 22 ALA H H 22 7.930 7.872 0.058 1
1 242 . 19 1 1 A 22 22 ALA HA H 22 4.201 4.057 0.144 1
1 246 . 19 1 1 A 22 22 ALA C C 22 180.595 179.961 0.634 1
1 247 . 19 1 1 A 22 22 ALA CA C 22 55.046 55.210 -0.164 1
1 248 . 19 1 1 A 22 22 ALA CB C 22 17.756 18.436 -0.680 1
1 249 . 19 1 1 A 22 22 ALA N N 22 122.985 122.331 0.654 1
1 250 . 19 1 1 A 23 23 VAL H H 23 8.512 7.807 0.705 1
1 251 . 19 1 1 A 23 23 VAL HA H 23 3.778 3.699 0.079 1
1 259 . 19 1 1 A 23 23 VAL CA C 23 66.053 66.698 -0.645 1
1 260 . 19 1 1 A 23 23 VAL CB C 23 32.037 31.612 0.425 1
1 263 . 19 1 1 A 23 23 VAL N N 23 119.108 117.935 1.173 1
1 264 . 19 1 1 A 24 24 LEU H H 24 8.480 8.319 0.161 1
1 265 . 19 1 1 A 24 24 LEU HA H 24 4.235 3.943 0.292 1
1 275 . 19 1 1 A 24 24 LEU CA C 24 57.204 58.074 -0.870 1
1 276 . 19 1 1 A 24 24 LEU CB C 24 41.761 41.937 -0.176 1
1 279 . 19 1 1 A 24 24 LEU N N 24 120.029 120.828 -0.799 1
1 280 . 19 1 1 A 25 25 GLY H H 25 8.146 7.750 0.396 1
1 281 . 19 1 1 A 25 25 GLY HA2 H 25 3.965 4.031 -0.066 1
1 282 . 19 1 1 A 25 25 GLY HA3 H 25 4.027 4.032 -0.005 1
1 283 . 19 1 1 A 25 25 GLY CA C 25 46.078 45.633 0.445 1
1 284 . 19 1 1 A 25 25 GLY N N 25 106.295 106.012 0.283 1
1 285 . 19 1 1 A 26 26 GLY H H 26 7.995 8.049 -0.054 1
1 286 . 19 1 1 A 26 26 GLY HA2 H 26 3.891 4.004 -0.113 1
1 287 . 19 1 1 A 26 26 GLY HA3 H 26 3.891 4.005 -0.114 1
1 288 . 19 1 1 A 26 26 GLY N N 26 106.665 108.744 -2.079 1
1 289 . 19 1 1 A 27 27 SER H H 27 8.068 8.035 0.033 1
1 290 . 19 1 1 A 27 27 SER HA H 27 4.415 4.448 -0.033 1
1 293 . 19 1 1 A 27 27 SER CB C 27 63.608 64.510 -0.902 1
1 294 . 19 1 1 A 27 27 SER N N 27 115.282 117.555 -2.273 1
1 295 . 19 1 1 A 28 28 ARG H H 28 7.987 8.742 -0.755 1
1 296 . 19 1 1 A 28 28 ARG HA H 28 4.353 4.933 -0.580 1
1 304 . 19 1 1 A 28 28 ARG CA C 28 56.445 55.044 1.401 1
1 307 . 19 1 1 A 28 28 ARG N N 28 120.986 120.212 0.774 1
1 308 . 19 1 1 A 29 29 ASP H H 29 8.095 8.974 -0.879 1
1 309 . 19 1 1 A 29 29 ASP HA H 29 4.727 4.368 0.359 1
1 312 . 19 1 1 A 29 29 ASP C C 29 174.757 176.671 -1.914 1
1 313 . 19 1 1 A 29 29 ASP CB C 29 37.688 41.188 -3.500 1
1 315 . 19 1 1 A 30 30 TYR H H 30 7.885 7.633 0.252 1
1 316 . 19 1 1 A 30 30 TYR HA H 30 4.554 4.686 -0.132 1
1 323 . 19 1 1 A 30 30 TYR C C 30 175.274 176.046 -0.772 1
1 324 . 19 1 1 A 30 30 TYR CA C 30 58.226 59.161 -0.935 1
1 325 . 19 1 1 A 30 30 TYR CB C 30 38.355 40.680 -2.325 1
1 330 . 19 1 1 A 30 30 TYR N N 30 119.689 114.023 5.666 1
1 331 . 19 1 1 A 31 31 ASN H H 31 8.081 8.068 0.013 1
1 332 . 19 1 1 A 31 31 ASN HA H 31 4.739 4.878 -0.139 1
1 337 . 19 1 1 A 31 31 ASN C C 31 174.469 175.513 -1.044 1
1 338 . 19 1 1 A 31 31 ASN CA C 31 53.266 53.638 -0.372 1
1 339 . 19 1 1 A 31 31 ASN CB C 31 38.838 40.588 -1.750 1
1 341 . 19 1 1 A 31 31 ASN N N 31 118.821 114.346 4.475 1
1 14 . 20 1 1 A 2 2 ARG H H 2 8.775 8.533 0.242 1
1 15 . 20 1 1 A 2 2 ARG HA H 2 4.494 4.564 -0.070 1
1 23 . 20 1 1 A 2 2 ARG C C 2 175.506 175.568 -0.062 1
1 24 . 20 1 1 A 2 2 ARG CA C 2 56.406 56.069 0.337 1
1 27 . 20 1 1 A 2 2 ARG N N 2 123.489 126.014 -2.525 1
1 28 . 20 1 1 A 3 3 SER H H 3 8.406 8.986 -0.580 1
1 29 . 20 1 1 A 3 3 SER HA H 3 4.600 4.753 -0.153 1
1 32 . 20 1 1 A 3 3 SER C C 3 174.478 174.024 0.454 1
1 33 . 20 1 1 A 3 3 SER CA C 3 57.797 59.021 -1.224 1
1 34 . 20 1 1 A 3 3 SER CB C 3 64.546 65.653 -1.107 1
1 35 . 20 1 1 A 3 3 SER N N 3 117.028 115.451 1.577 1
1 36 . 20 1 1 A 4 4 ARG H H 4 8.508 8.743 -0.235 1
1 37 . 20 1 1 A 4 4 ARG HA H 4 4.400 4.492 -0.092 1
1 45 . 20 1 1 A 4 4 ARG CA C 4 56.661 55.448 1.213 1
1 46 . 20 1 1 A 4 4 ARG CB C 4 30.943 28.237 2.706 1
1 49 . 20 1 1 A 4 4 ARG N N 4 122.829 120.641 2.188 1
1 50 . 20 1 1 A 5 5 LYS H H 5 8.256 7.832 0.424 1
1 51 . 20 1 1 A 5 5 LYS HA H 5 4.290 4.322 -0.032 1
1 60 . 20 1 1 A 5 5 LYS CA C 5 56.843 57.207 -0.364 1
1 61 . 20 1 1 A 5 5 LYS CB C 5 32.969 35.316 -2.347 1
1 65 . 20 1 1 A 5 5 LYS N N 5 120.908 118.444 2.464 1
1 66 . 20 1 1 A 6 6 ASN H H 6 8.204 8.066 0.138 1
1 67 . 20 1 1 A 6 6 ASN HA H 6 4.757 4.543 0.214 1
1 72 . 20 1 1 A 6 6 ASN C C 6 174.392 175.635 -1.243 1
1 73 . 20 1 1 A 6 6 ASN CA C 6 53.146 53.772 -0.626 1
1 74 . 20 1 1 A 6 6 ASN CB C 6 38.927 38.867 0.060 1
1 76 . 20 1 1 A 6 6 ASN N N 6 118.424 116.090 2.334 1
1 78 . 20 1 1 A 7 7 GLY H H 7 8.307 7.741 0.566 1
1 79 . 20 1 1 A 7 7 GLY HA2 H 7 4.059 3.897 0.162 1
1 80 . 20 1 1 A 7 7 GLY HA3 H 7 4.094 3.983 0.111 1
1 81 . 20 1 1 A 7 7 GLY CA C 7 45.902 46.367 -0.465 1
1 82 . 20 1 1 A 7 7 GLY N N 7 108.391 106.770 1.621 1
1 83 . 20 1 1 A 8 8 ILE H H 8 7.989 8.279 -0.290 1
1 84 . 20 1 1 A 8 8 ILE HA H 8 4.126 3.939 0.187 1
1 94 . 20 1 1 A 8 8 ILE C C 8 176.811 177.588 -0.777 1
1 95 . 20 1 1 A 8 8 ILE CA C 8 63.018 65.051 -2.033 1
1 96 . 20 1 1 A 8 8 ILE CB C 8 38.402 37.870 0.532 1
1 100 . 20 1 1 A 8 8 ILE N N 8 120.369 118.317 2.052 1
1 101 . 20 1 1 A 9 9 GLY H H 9 8.243 8.181 0.062 1
1 102 . 20 1 1 A 9 9 GLY HA2 H 9 3.844 4.225 -0.381 1
1 103 . 20 1 1 A 9 9 GLY HA3 H 9 3.844 4.262 -0.418 1
1 104 . 20 1 1 A 9 9 GLY CA C 9 46.491 45.715 0.776 1
1 105 . 20 1 1 A 9 9 GLY N N 9 108.169 109.387 -1.218 1
1 106 . 20 1 1 A 10 10 TYR H H 10 7.763 7.988 -0.225 1
1 107 . 20 1 1 A 10 10 TYR HA H 10 4.408 4.718 -0.310 1
1 114 . 20 1 1 A 10 10 TYR CA C 10 59.789 59.683 0.106 1
1 115 . 20 1 1 A 10 10 TYR CB C 10 38.316 37.964 0.352 1
1 120 . 20 1 1 A 10 10 TYR N N 10 119.911 119.350 0.561 1
1 121 . 20 1 1 A 11 11 ALA H H 11 7.899 8.344 -0.445 1
1 122 . 20 1 1 A 11 11 ALA HA H 11 4.229 4.089 0.140 1
1 126 . 20 1 1 A 11 11 ALA C C 11 179.361 180.125 -0.764 1
1 127 . 20 1 1 A 11 11 ALA CA C 11 54.791 55.269 -0.478 1
1 128 . 20 1 1 A 11 11 ALA CB C 11 17.766 18.227 -0.461 1
1 129 . 20 1 1 A 11 11 ALA N N 11 122.809 122.225 0.584 1
1 130 . 20 1 1 A 12 12 ILE H H 12 8.091 8.245 -0.154 1
1 131 . 20 1 1 A 12 12 ILE HA H 12 3.927 3.813 0.114 1
1 141 . 20 1 1 A 12 12 ILE CA C 12 64.005 65.214 -1.209 1
1 142 . 20 1 1 A 12 12 ILE CB C 12 38.109 37.965 0.144 1
1 146 . 20 1 1 A 12 12 ILE N N 12 117.663 119.051 -1.388 1
1 147 . 20 1 1 A 13 13 GLY H H 13 8.014 7.914 0.100 1
1 148 . 20 1 1 A 13 13 GLY HA2 H 13 3.974 3.806 0.168 1
1 149 . 20 1 1 A 13 13 GLY HA3 H 13 4.136 3.927 0.209 1
1 150 . 20 1 1 A 13 13 GLY N N 13 108.042 107.954 0.088 1
1 151 . 20 1 1 A 14 14 TYR H H 14 8.158 8.310 -0.152 1
1 152 . 20 1 1 A 14 14 TYR HA H 14 4.310 4.024 0.286 1
1 159 . 20 1 1 A 14 14 TYR CA C 14 60.839 60.056 0.783 1
1 160 . 20 1 1 A 14 14 TYR CB C 14 38.340 38.705 -0.365 1
1 165 . 20 1 1 A 14 14 TYR N N 14 121.815 123.662 -1.847 1
1 166 . 20 1 1 A 15 15 ALA H H 15 8.233 7.955 0.278 1
1 167 . 20 1 1 A 15 15 ALA HA H 15 4.162 4.188 -0.026 1
1 171 . 20 1 1 A 15 15 ALA C C 15 179.200 180.052 -0.852 1
1 172 . 20 1 1 A 15 15 ALA CA C 15 55.091 55.041 0.050 1
1 173 . 20 1 1 A 15 15 ALA CB C 15 17.743 18.374 -0.631 1
1 174 . 20 1 1 A 15 15 ALA N N 15 123.427 121.612 1.815 1
1 175 . 20 1 1 A 16 16 PHE H H 16 8.531 8.209 0.322 1
1 176 . 20 1 1 A 16 16 PHE HA H 16 4.363 3.906 0.457 1
1 184 . 20 1 1 A 16 16 PHE CA C 16 60.569 59.113 1.456 1
1 185 . 20 1 1 A 16 16 PHE CB C 16 43.263 38.171 5.092 1
1 190 . 20 1 1 A 16 16 PHE N N 16 116.921 116.754 0.167 1
1 191 . 20 1 1 A 17 17 GLY H H 17 8.095 9.201 -1.106 1
1 192 . 20 1 1 A 17 17 GLY HA2 H 17 3.893 3.751 0.142 1
1 193 . 20 1 1 A 17 17 GLY HA3 H 17 3.893 3.799 0.094 1
1 194 . 20 1 1 A 17 17 GLY CA C 17 46.840 46.850 -0.010 1
1 195 . 20 1 1 A 17 17 GLY N N 17 105.887 108.321 -2.434 1
1 196 . 20 1 1 A 18 18 ALA H H 18 7.858 7.477 0.381 1
1 197 . 20 1 1 A 18 18 ALA HA H 18 4.088 3.957 0.131 1
1 201 . 20 1 1 A 18 18 ALA C C 18 180.375 179.724 0.651 1
1 202 . 20 1 1 A 18 18 ALA CA C 18 55.324 54.637 0.687 1
1 203 . 20 1 1 A 18 18 ALA CB C 18 17.605 18.434 -0.829 1
1 204 . 20 1 1 A 18 18 ALA N N 18 123.999 124.783 -0.784 1
1 205 . 20 1 1 A 19 19 VAL H H 19 7.970 8.207 -0.237 1
1 206 . 20 1 1 A 19 19 VAL HA H 19 3.669 3.534 0.135 1
1 214 . 20 1 1 A 19 19 VAL CA C 19 66.502 66.222 0.280 1
1 215 . 20 1 1 A 19 19 VAL CB C 19 31.765 31.716 0.049 1
1 218 . 20 1 1 A 19 19 VAL N N 19 119.834 118.677 1.157 1
1 219 . 20 1 1 A 20 20 GLU H H 20 8.263 7.779 0.484 1
1 220 . 20 1 1 A 20 20 GLU HA H 20 3.866 4.122 -0.256 1
1 225 . 20 1 1 A 20 20 GLU CA C 20 59.604 59.515 0.089 1
1 226 . 20 1 1 A 20 20 GLU CB C 20 27.822 29.451 -1.629 1
1 229 . 20 1 1 A 20 20 GLU N N 20 118.154 119.489 -1.335 1
1 230 . 20 1 1 A 21 21 ARG H H 21 8.007 7.636 0.371 1
1 231 . 20 1 1 A 21 21 ARG HA H 21 3.974 3.968 0.006 1
1 238 . 20 1 1 A 21 21 ARG CA C 21 59.705 59.119 0.586 1
1 239 . 20 1 1 A 21 21 ARG CB C 21 30.141 29.912 0.229 1
1 241 . 20 1 1 A 22 22 ALA H H 22 7.930 7.723 0.207 1
1 242 . 20 1 1 A 22 22 ALA HA H 22 4.201 4.048 0.153 1
1 246 . 20 1 1 A 22 22 ALA C C 22 180.595 180.273 0.322 1
1 247 . 20 1 1 A 22 22 ALA CA C 22 55.046 55.163 -0.117 1
1 248 . 20 1 1 A 22 22 ALA CB C 22 17.756 18.179 -0.423 1
1 249 . 20 1 1 A 22 22 ALA N N 22 122.985 122.071 0.914 1
1 250 . 20 1 1 A 23 23 VAL H H 23 8.512 7.862 0.650 1
1 251 . 20 1 1 A 23 23 VAL HA H 23 3.778 3.681 0.097 1
1 259 . 20 1 1 A 23 23 VAL CA C 23 66.053 66.609 -0.556 1
1 260 . 20 1 1 A 23 23 VAL CB C 23 32.037 31.239 0.798 1
1 263 . 20 1 1 A 23 23 VAL N N 23 119.108 118.012 1.096 1
1 264 . 20 1 1 A 24 24 LEU H H 24 8.480 8.157 0.323 1
1 265 . 20 1 1 A 24 24 LEU HA H 24 4.235 4.046 0.189 1
1 275 . 20 1 1 A 24 24 LEU CA C 24 57.204 57.834 -0.630 1
1 276 . 20 1 1 A 24 24 LEU CB C 24 41.761 42.524 -0.763 1
1 279 . 20 1 1 A 24 24 LEU N N 24 120.029 122.189 -2.160 1
1 280 . 20 1 1 A 25 25 GLY H H 25 8.146 7.311 0.835 1
1 281 . 20 1 1 A 25 25 GLY HA2 H 25 3.965 4.100 -0.135 1
1 282 . 20 1 1 A 25 25 GLY HA3 H 25 4.027 4.103 -0.076 1
1 283 . 20 1 1 A 25 25 GLY CA C 25 46.078 45.620 0.458 1
1 284 . 20 1 1 A 25 25 GLY N N 25 106.295 106.534 -0.239 1
1 285 . 20 1 1 A 26 26 GLY H H 26 7.995 8.209 -0.214 1
1 286 . 20 1 1 A 26 26 GLY HA2 H 26 3.891 4.014 -0.123 1
1 287 . 20 1 1 A 26 26 GLY HA3 H 26 3.891 4.020 -0.129 1
1 288 . 20 1 1 A 26 26 GLY N N 26 106.665 109.479 -2.814 1
1 289 . 20 1 1 A 27 27 SER H H 27 8.068 8.387 -0.319 1
1 290 . 20 1 1 A 27 27 SER HA H 27 4.415 4.284 0.131 1
1 293 . 20 1 1 A 27 27 SER CB C 27 63.608 63.515 0.093 1
1 294 . 20 1 1 A 27 27 SER N N 27 115.282 117.708 -2.426 1
1 295 . 20 1 1 A 28 28 ARG H H 28 7.987 7.652 0.335 1
1 296 . 20 1 1 A 28 28 ARG HA H 28 4.353 4.835 -0.482 1
1 304 . 20 1 1 A 28 28 ARG CA C 28 56.445 55.070 1.375 1
1 307 . 20 1 1 A 28 28 ARG N N 28 120.986 117.653 3.333 1
1 308 . 20 1 1 A 29 29 ASP H H 29 8.095 8.860 -0.765 1
1 309 . 20 1 1 A 29 29 ASP HA H 29 4.727 5.132 -0.405 1
1 312 . 20 1 1 A 29 29 ASP C C 29 174.757 173.715 1.042 1
1 313 . 20 1 1 A 29 29 ASP CB C 29 37.688 44.458 -6.770 1
1 315 . 20 1 1 A 30 30 TYR H H 30 7.885 8.590 -0.705 1
1 316 . 20 1 1 A 30 30 TYR HA H 30 4.554 4.798 -0.244 1
1 323 . 20 1 1 A 30 30 TYR C C 30 175.274 174.811 0.463 1
1 324 . 20 1 1 A 30 30 TYR CA C 30 58.226 57.000 1.226 1
1 325 . 20 1 1 A 30 30 TYR CB C 30 38.355 40.777 -2.422 1
1 330 . 20 1 1 A 30 30 TYR N N 30 119.689 120.439 -0.750 1
1 331 . 20 1 1 A 31 31 ASN H H 31 8.081 8.821 -0.740 1
1 332 . 20 1 1 A 31 31 ASN HA H 31 4.739 4.327 0.412 1
1 337 . 20 1 1 A 31 31 ASN C C 31 174.469 175.453 -0.984 1
1 338 . 20 1 1 A 31 31 ASN CA C 31 53.266 56.461 -3.195 1
1 339 . 20 1 1 A 31 31 ASN CB C 31 38.838 38.200 0.638 1
1 341 . 20 1 1 A 31 31 ASN N N 31 118.821 121.365 -2.544 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 11 0.969 1
2 1 1 1 "RMS(OBS, PRED)" CA 26 0.821 1
3 1 1 1 "RMS(OBS, PRED)" CB 22 2.184 1
4 1 1 1 "RMS(OBS, PRED)" H 30 0.449 1
5 1 1 1 "RMS(OBS, PRED)" HA 36 0.204 1
6 1 1 1 "RMS(OBS, PRED)" N 28 2.472 1
7 1 2 1 "RMS(OBS, PRED)" C 11 0.620 1
8 1 2 1 "RMS(OBS, PRED)" CA 26 0.985 1
9 1 2 1 "RMS(OBS, PRED)" CB 22 2.227 1
10 1 2 1 "RMS(OBS, PRED)" H 30 0.516 1
11 1 2 1 "RMS(OBS, PRED)" HA 36 0.245 1
12 1 2 1 "RMS(OBS, PRED)" N 28 2.067 1
13 1 3 1 "RMS(OBS, PRED)" C 11 0.789 1
14 1 3 1 "RMS(OBS, PRED)" CA 26 1.015 1
15 1 3 1 "RMS(OBS, PRED)" CB 22 2.008 1
16 1 3 1 "RMS(OBS, PRED)" H 30 0.493 1
17 1 3 1 "RMS(OBS, PRED)" HA 36 0.281 1
18 1 3 1 "RMS(OBS, PRED)" N 28 2.100 1
19 1 4 1 "RMS(OBS, PRED)" C 11 1.200 1
20 1 4 1 "RMS(OBS, PRED)" CA 26 1.335 1
21 1 4 1 "RMS(OBS, PRED)" CB 22 2.160 1
22 1 4 1 "RMS(OBS, PRED)" H 30 0.408 1
23 1 4 1 "RMS(OBS, PRED)" HA 36 0.269 1
24 1 4 1 "RMS(OBS, PRED)" N 28 1.958 1
25 1 5 1 "RMS(OBS, PRED)" C 11 0.793 1
26 1 5 1 "RMS(OBS, PRED)" CA 26 1.135 1
27 1 5 1 "RMS(OBS, PRED)" CB 22 2.035 1
28 1 5 1 "RMS(OBS, PRED)" H 30 0.397 1
29 1 5 1 "RMS(OBS, PRED)" HA 36 0.287 1
30 1 5 1 "RMS(OBS, PRED)" N 28 2.178 1
31 1 6 1 "RMS(OBS, PRED)" C 11 1.012 1
32 1 6 1 "RMS(OBS, PRED)" CA 26 1.032 1
33 1 6 1 "RMS(OBS, PRED)" CB 22 1.808 1
34 1 6 1 "RMS(OBS, PRED)" H 30 0.487 1
35 1 6 1 "RMS(OBS, PRED)" HA 36 0.245 1
36 1 6 1 "RMS(OBS, PRED)" N 28 2.478 1
37 1 7 1 "RMS(OBS, PRED)" C 11 1.099 1
38 1 7 1 "RMS(OBS, PRED)" CA 26 0.969 1
39 1 7 1 "RMS(OBS, PRED)" CB 22 2.186 1
40 1 7 1 "RMS(OBS, PRED)" H 30 0.402 1
41 1 7 1 "RMS(OBS, PRED)" HA 36 0.281 1
42 1 7 1 "RMS(OBS, PRED)" N 28 1.650 1
43 1 8 1 "RMS(OBS, PRED)" C 11 1.007 1
44 1 8 1 "RMS(OBS, PRED)" CA 26 0.974 1
45 1 8 1 "RMS(OBS, PRED)" CB 22 2.062 1
46 1 8 1 "RMS(OBS, PRED)" H 30 0.425 1
47 1 8 1 "RMS(OBS, PRED)" HA 36 0.221 1
48 1 8 1 "RMS(OBS, PRED)" N 28 1.492 1
49 1 9 1 "RMS(OBS, PRED)" C 11 1.193 1
50 1 9 1 "RMS(OBS, PRED)" CA 26 1.013 1
51 1 9 1 "RMS(OBS, PRED)" CB 22 1.660 1
52 1 9 1 "RMS(OBS, PRED)" H 30 0.451 1
53 1 9 1 "RMS(OBS, PRED)" HA 36 0.193 1
54 1 9 1 "RMS(OBS, PRED)" N 28 2.360 1
55 1 10 1 "RMS(OBS, PRED)" C 11 0.794 1
56 1 10 1 "RMS(OBS, PRED)" CA 26 1.079 1
57 1 10 1 "RMS(OBS, PRED)" CB 22 1.561 1
58 1 10 1 "RMS(OBS, PRED)" H 30 0.409 1
59 1 10 1 "RMS(OBS, PRED)" HA 36 0.262 1
60 1 10 1 "RMS(OBS, PRED)" N 28 1.849 1
61 1 11 1 "RMS(OBS, PRED)" C 11 0.830 1
62 1 11 1 "RMS(OBS, PRED)" CA 26 0.981 1
63 1 11 1 "RMS(OBS, PRED)" CB 22 1.998 1
64 1 11 1 "RMS(OBS, PRED)" H 30 0.446 1
65 1 11 1 "RMS(OBS, PRED)" HA 36 0.246 1
66 1 11 1 "RMS(OBS, PRED)" N 28 2.401 1
67 1 12 1 "RMS(OBS, PRED)" C 11 1.049 1
68 1 12 1 "RMS(OBS, PRED)" CA 26 1.091 1
69 1 12 1 "RMS(OBS, PRED)" CB 22 1.667 1
70 1 12 1 "RMS(OBS, PRED)" H 30 0.445 1
71 1 12 1 "RMS(OBS, PRED)" HA 36 0.271 1
72 1 12 1 "RMS(OBS, PRED)" N 28 1.949 1
73 1 13 1 "RMS(OBS, PRED)" C 11 0.720 1
74 1 13 1 "RMS(OBS, PRED)" CA 26 0.978 1
75 1 13 1 "RMS(OBS, PRED)" CB 22 1.875 1
76 1 13 1 "RMS(OBS, PRED)" H 30 0.422 1
77 1 13 1 "RMS(OBS, PRED)" HA 36 0.258 1
78 1 13 1 "RMS(OBS, PRED)" N 28 1.773 1
79 1 14 1 "RMS(OBS, PRED)" C 11 0.879 1
80 1 14 1 "RMS(OBS, PRED)" CA 26 1.145 1
81 1 14 1 "RMS(OBS, PRED)" CB 22 1.838 1
82 1 14 1 "RMS(OBS, PRED)" H 30 0.453 1
83 1 14 1 "RMS(OBS, PRED)" HA 36 0.271 1
84 1 14 1 "RMS(OBS, PRED)" N 28 1.992 1
85 1 15 1 "RMS(OBS, PRED)" C 11 0.939 1
86 1 15 1 "RMS(OBS, PRED)" CA 26 1.141 1
87 1 15 1 "RMS(OBS, PRED)" CB 22 2.186 1
88 1 15 1 "RMS(OBS, PRED)" H 30 0.389 1
89 1 15 1 "RMS(OBS, PRED)" HA 36 0.262 1
90 1 15 1 "RMS(OBS, PRED)" N 28 2.392 1
91 1 16 1 "RMS(OBS, PRED)" C 11 0.965 1
92 1 16 1 "RMS(OBS, PRED)" CA 26 1.129 1
93 1 16 1 "RMS(OBS, PRED)" CB 22 1.784 1
94 1 16 1 "RMS(OBS, PRED)" H 30 0.440 1
95 1 16 1 "RMS(OBS, PRED)" HA 36 0.308 1
96 1 16 1 "RMS(OBS, PRED)" N 28 2.141 1
97 1 17 1 "RMS(OBS, PRED)" C 11 0.985 1
98 1 17 1 "RMS(OBS, PRED)" CA 26 1.150 1
99 1 17 1 "RMS(OBS, PRED)" CB 22 1.991 1
100 1 17 1 "RMS(OBS, PRED)" H 30 0.471 1
101 1 17 1 "RMS(OBS, PRED)" HA 36 0.261 1
102 1 17 1 "RMS(OBS, PRED)" N 28 1.772 1
103 1 18 1 "RMS(OBS, PRED)" C 11 0.907 1
104 1 18 1 "RMS(OBS, PRED)" CA 26 0.993 1
105 1 18 1 "RMS(OBS, PRED)" CB 22 2.071 1
106 1 18 1 "RMS(OBS, PRED)" H 30 0.464 1
107 1 18 1 "RMS(OBS, PRED)" HA 36 0.220 1
108 1 18 1 "RMS(OBS, PRED)" N 28 1.537 1
109 1 19 1 "RMS(OBS, PRED)" C 11 0.976 1
110 1 19 1 "RMS(OBS, PRED)" CA 26 0.957 1
111 1 19 1 "RMS(OBS, PRED)" CB 22 1.744 1
112 1 19 1 "RMS(OBS, PRED)" H 30 0.414 1
113 1 19 1 "RMS(OBS, PRED)" HA 36 0.222 1
114 1 19 1 "RMS(OBS, PRED)" N 28 2.028 1
115 1 20 1 "RMS(OBS, PRED)" C 11 0.804 1
116 1 20 1 "RMS(OBS, PRED)" CA 26 1.066 1
117 1 20 1 "RMS(OBS, PRED)" CB 22 2.161 1
118 1 20 1 "RMS(OBS, PRED)" H 30 0.473 1
119 1 20 1 "RMS(OBS, PRED)" HA 36 0.231 1
120 1 20 1 "RMS(OBS, PRED)" N 28 1.838 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 14 . 1 1 A 2 2 ARG H H 2 8.775 8.427 0.348 2
1 15 . 1 1 A 2 2 ARG HA H 2 4.494 4.559 -0.065 2
1 23 . 1 1 A 2 2 ARG C C 2 175.506 175.633 -0.127 2
1 24 . 1 1 A 2 2 ARG CA C 2 56.406 55.708 0.698 2
1 27 . 1 1 A 2 2 ARG N N 2 123.489 123.303 0.186 2
1 28 . 1 1 A 3 3 SER H H 3 8.406 8.622 -0.216 2
1 29 . 1 1 A 3 3 SER HA H 3 4.600 4.641 -0.041 2
1 32 . 1 1 A 3 3 SER C C 3 174.478 173.912 0.566 2
1 33 . 1 1 A 3 3 SER CA C 3 57.797 58.630 -0.833 2
1 34 . 1 1 A 3 3 SER CB C 3 64.546 64.733 -0.187 2
1 35 . 1 1 A 3 3 SER N N 3 117.028 118.482 -1.454 2
1 36 . 1 1 A 4 4 ARG H H 4 8.508 8.185 0.323 2
1 37 . 1 1 A 4 4 ARG HA H 4 4.400 4.308 0.092 2
1 45 . 1 1 A 4 4 ARG CA C 4 56.661 55.945 0.716 2
1 46 . 1 1 A 4 4 ARG CB C 4 30.943 29.424 1.519 2
1 49 . 1 1 A 4 4 ARG N N 4 122.829 120.630 2.199 2
1 50 . 1 1 A 5 5 LYS H H 5 8.256 7.812 0.444 2
1 51 . 1 1 A 5 5 LYS HA H 5 4.290 4.496 -0.206 2
1 60 . 1 1 A 5 5 LYS CA C 5 56.843 56.753 0.090 2
1 61 . 1 1 A 5 5 LYS CB C 5 32.969 34.552 -1.583 2
1 65 . 1 1 A 5 5 LYS N N 5 120.908 120.567 0.341 2
1 66 . 1 1 A 6 6 ASN H H 6 8.204 8.231 -0.027 2
1 67 . 1 1 A 6 6 ASN HA H 6 4.757 4.647 0.110 2
1 72 . 1 1 A 6 6 ASN C C 6 174.392 175.827 -1.435 2
1 73 . 1 1 A 6 6 ASN CA C 6 53.146 54.589 -1.443 2
1 74 . 1 1 A 6 6 ASN CB C 6 38.927 39.682 -0.755 2
1 76 . 1 1 A 6 6 ASN N N 6 118.424 118.236 0.188 2
1 78 . 1 1 A 7 7 GLY H H 7 8.307 7.899 0.408 2
1 79 . 1 1 A 7 7 GLY HA2 H 7 4.059 3.883 0.176 2
1 80 . 1 1 A 7 7 GLY HA3 H 7 4.094 3.997 0.097 2
1 81 . 1 1 A 7 7 GLY CA C 7 45.902 46.186 -0.284 2
1 82 . 1 1 A 7 7 GLY N N 7 108.391 106.261 2.130 2
1 83 . 1 1 A 8 8 ILE H H 8 7.989 8.270 -0.281 2
1 84 . 1 1 A 8 8 ILE HA H 8 4.126 3.887 0.239 2
1 94 . 1 1 A 8 8 ILE C C 8 176.811 177.773 -0.962 2
1 95 . 1 1 A 8 8 ILE CA C 8 63.018 65.113 -2.095 2
1 96 . 1 1 A 8 8 ILE CB C 8 38.402 37.880 0.522 2
1 100 . 1 1 A 8 8 ILE N N 8 120.369 122.663 -2.294 2
1 101 . 1 1 A 9 9 GLY H H 9 8.243 8.171 0.072 2
1 102 . 1 1 A 9 9 GLY HA2 H 9 3.844 4.139 -0.295 2
1 103 . 1 1 A 9 9 GLY HA3 H 9 3.844 4.180 -0.336 2
1 104 . 1 1 A 9 9 GLY CA C 9 46.491 45.897 0.594 2
1 105 . 1 1 A 9 9 GLY N N 9 108.169 109.147 -0.978 2
1 106 . 1 1 A 10 10 TYR H H 10 7.763 8.023 -0.260 2
1 107 . 1 1 A 10 10 TYR HA H 10 4.408 4.726 -0.318 2
1 114 . 1 1 A 10 10 TYR CA C 10 59.789 59.479 0.310 2
1 115 . 1 1 A 10 10 TYR CB C 10 38.316 37.718 0.598 2
1 120 . 1 1 A 10 10 TYR N N 10 119.911 119.813 0.098 2
1 121 . 1 1 A 11 11 ALA H H 11 7.899 8.331 -0.431 2
1 122 . 1 1 A 11 11 ALA HA H 11 4.229 4.112 0.117 2
1 126 . 1 1 A 11 11 ALA C C 11 179.361 179.874 -0.513 2
1 127 . 1 1 A 11 11 ALA CA C 11 54.791 55.212 -0.421 2
1 128 . 1 1 A 11 11 ALA CB C 11 17.766 18.376 -0.610 2
1 129 . 1 1 A 11 11 ALA N N 11 122.809 122.343 0.466 2
1 130 . 1 1 A 12 12 ILE H H 12 8.091 8.167 -0.076 2
1 131 . 1 1 A 12 12 ILE HA H 12 3.927 3.823 0.104 2
1 141 . 1 1 A 12 12 ILE CA C 12 64.005 65.202 -1.197 2
1 142 . 1 1 A 12 12 ILE CB C 12 38.109 38.018 0.091 2
1 146 . 1 1 A 12 12 ILE N N 12 117.663 118.754 -1.091 2
1 147 . 1 1 A 13 13 GLY H H 13 8.014 7.869 0.145 2
1 148 . 1 1 A 13 13 GLY HA2 H 13 3.974 3.808 0.166 2
1 149 . 1 1 A 13 13 GLY HA3 H 13 4.136 3.921 0.215 2
1 150 . 1 1 A 13 13 GLY N N 13 108.042 107.942 0.100 2
1 151 . 1 1 A 14 14 TYR H H 14 8.158 8.125 0.033 2
1 152 . 1 1 A 14 14 TYR HA H 14 4.310 4.046 0.264 2
1 159 . 1 1 A 14 14 TYR CA C 14 60.839 60.156 0.683 2
1 160 . 1 1 A 14 14 TYR CB C 14 38.340 38.659 -0.319 2
1 165 . 1 1 A 14 14 TYR N N 14 121.815 123.683 -1.868 2
1 166 . 1 1 A 15 15 ALA H H 15 8.233 8.023 0.210 2
1 167 . 1 1 A 15 15 ALA HA H 15 4.162 4.178 -0.016 2
1 171 . 1 1 A 15 15 ALA C C 15 179.200 179.981 -0.781 2
1 172 . 1 1 A 15 15 ALA CA C 15 55.091 55.060 0.031 2
1 173 . 1 1 A 15 15 ALA CB C 15 17.743 18.372 -0.629 2
1 174 . 1 1 A 15 15 ALA N N 15 123.427 121.588 1.839 2
1 175 . 1 1 A 16 16 PHE H H 16 8.531 8.393 0.138 2
1 176 . 1 1 A 16 16 PHE HA H 16 4.363 3.768 0.595 2
1 184 . 1 1 A 16 16 PHE CA C 16 60.569 58.774 1.795 2
1 185 . 1 1 A 16 16 PHE CB C 16 43.263 37.938 5.325 2
1 190 . 1 1 A 16 16 PHE N N 16 116.921 117.096 -0.175 2
1 191 . 1 1 A 17 17 GLY H H 17 8.095 9.020 -0.925 2
1 192 . 1 1 A 17 17 GLY HA2 H 17 3.893 3.767 0.126 2
1 193 . 1 1 A 17 17 GLY HA3 H 17 3.893 3.817 0.076 2
1 194 . 1 1 A 17 17 GLY CA C 17 46.840 46.885 -0.045 2
1 195 . 1 1 A 17 17 GLY N N 17 105.887 107.747 -1.860 2
1 196 . 1 1 A 18 18 ALA H H 18 7.858 7.641 0.217 2
1 197 . 1 1 A 18 18 ALA HA H 18 4.088 3.964 0.124 2
1 201 . 1 1 A 18 18 ALA C C 18 180.375 179.699 0.676 2
1 202 . 1 1 A 18 18 ALA CA C 18 55.324 54.633 0.691 2
1 203 . 1 1 A 18 18 ALA CB C 18 17.605 18.430 -0.825 2
1 204 . 1 1 A 18 18 ALA N N 18 123.999 124.805 -0.806 2
1 205 . 1 1 A 19 19 VAL H H 19 7.970 8.233 -0.263 2
1 206 . 1 1 A 19 19 VAL HA H 19 3.669 3.514 0.155 2
1 214 . 1 1 A 19 19 VAL CA C 19 66.502 66.320 0.182 2
1 215 . 1 1 A 19 19 VAL CB C 19 31.765 31.741 0.024 2
1 218 . 1 1 A 19 19 VAL N N 19 119.834 118.788 1.046 2
1 219 . 1 1 A 20 20 GLU H H 20 8.263 7.725 0.538 2
1 220 . 1 1 A 20 20 GLU HA H 20 3.866 4.126 -0.260 2
1 225 . 1 1 A 20 20 GLU CA C 20 59.604 59.523 0.081 2
1 226 . 1 1 A 20 20 GLU CB C 20 27.822 29.515 -1.693 2
1 229 . 1 1 A 20 20 GLU N N 20 118.154 119.425 -1.271 2
1 230 . 1 1 A 21 21 ARG H H 21 8.007 7.656 0.351 2
1 231 . 1 1 A 21 21 ARG HA H 21 3.974 3.984 -0.010 2
1 238 . 1 1 A 21 21 ARG CA C 21 59.705 59.047 0.658 2
1 239 . 1 1 A 21 21 ARG CB C 21 30.141 29.786 0.355 2
1 241 . 1 1 A 22 22 ALA H H 22 7.930 7.787 0.143 2
1 242 . 1 1 A 22 22 ALA HA H 22 4.201 4.052 0.149 2
1 246 . 1 1 A 22 22 ALA C C 22 180.595 180.113 0.482 2
1 247 . 1 1 A 22 22 ALA CA C 22 55.046 55.143 -0.097 2
1 248 . 1 1 A 22 22 ALA CB C 22 17.756 18.485 -0.728 2
1 249 . 1 1 A 22 22 ALA N N 22 122.985 122.059 0.926 2
1 250 . 1 1 A 23 23 VAL H H 23 8.512 7.861 0.651 2
1 251 . 1 1 A 23 23 VAL HA H 23 3.778 3.674 0.104 2
1 259 . 1 1 A 23 23 VAL CA C 23 66.053 66.534 -0.481 2
1 260 . 1 1 A 23 23 VAL CB C 23 32.037 31.251 0.786 2
1 263 . 1 1 A 23 23 VAL N N 23 119.108 117.980 1.128 2
1 264 . 1 1 A 24 24 LEU H H 24 8.480 8.198 0.282 2
1 265 . 1 1 A 24 24 LEU HA H 24 4.235 3.988 0.247 2
1 275 . 1 1 A 24 24 LEU CA C 24 57.204 57.984 -0.780 2
1 276 . 1 1 A 24 24 LEU CB C 24 41.761 42.053 -0.292 2
1 279 . 1 1 A 24 24 LEU N N 24 120.029 121.552 -1.523 2
1 280 . 1 1 A 25 25 GLY H H 25 8.146 7.625 0.521 2
1 281 . 1 1 A 25 25 GLY HA2 H 25 3.965 3.950 0.015 2
1 282 . 1 1 A 25 25 GLY HA3 H 25 4.027 3.955 0.072 2
1 283 . 1 1 A 25 25 GLY CA C 25 46.078 46.230 -0.152 2
1 284 . 1 1 A 25 25 GLY N N 25 106.295 106.404 -0.109 2
1 285 . 1 1 A 26 26 GLY H H 26 7.995 8.053 -0.058 2
1 286 . 1 1 A 26 26 GLY HA2 H 26 3.891 4.031 -0.140 2
1 287 . 1 1 A 26 26 GLY HA3 H 26 3.891 4.036 -0.145 2
1 288 . 1 1 A 26 26 GLY N N 26 106.665 108.734 -2.069 2
1 289 . 1 1 A 27 27 SER H H 27 8.068 8.151 -0.083 2
1 290 . 1 1 A 27 27 SER HA H 27 4.415 4.677 -0.262 2
1 293 . 1 1 A 27 27 SER CB C 27 63.608 64.640 -1.032 2
1 294 . 1 1 A 27 27 SER N N 27 115.282 116.540 -1.258 2
1 295 . 1 1 A 28 28 ARG H H 28 7.987 8.511 -0.524 2
1 296 . 1 1 A 28 28 ARG HA H 28 4.353 4.468 -0.115 2
1 304 . 1 1 A 28 28 ARG CA C 28 56.445 55.853 0.592 2
1 307 . 1 1 A 28 28 ARG N N 28 120.986 122.633 -1.647 2
1 308 . 1 1 A 29 29 ASP H H 29 8.095 8.169 -0.074 2
1 309 . 1 1 A 29 29 ASP HA H 29 4.727 4.740 -0.013 2
1 312 . 1 1 A 29 29 ASP C C 29 174.757 174.855 -0.098 2
1 313 . 1 1 A 29 29 ASP CB C 29 37.688 42.672 -4.984 2
1 315 . 1 1 A 30 30 TYR H H 30 7.885 8.326 -0.441 2
1 316 . 1 1 A 30 30 TYR HA H 30 4.554 4.620 -0.066 2
1 323 . 1 1 A 30 30 TYR C C 30 175.274 175.459 -0.185 2
1 324 . 1 1 A 30 30 TYR CA C 30 58.226 58.090 0.136 2
1 325 . 1 1 A 30 30 TYR CB C 30 38.355 38.955 -0.600 2
1 330 . 1 1 A 30 30 TYR N N 30 119.689 119.341 0.348 2
1 331 . 1 1 A 31 31 ASN H H 31 8.081 8.256 -0.175 2
1 332 . 1 1 A 31 31 ASN HA H 31 4.739 4.784 -0.045 2
1 337 . 1 1 A 31 31 ASN C C 31 174.469 175.082 -0.613 2
1 338 . 1 1 A 31 31 ASN CA C 31 53.266 54.328 -1.062 2
1 339 . 1 1 A 31 31 ASN CB C 31 38.838 39.715 -0.877 2
1 341 . 1 1 A 31 31 ASN N N 31 118.821 118.482 0.339 2
stop_
save_