data_16148_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16148 _Entry.PDB_ID 2KEG _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 13 . 1 1 1 A 2 2 ARG H H 2 8.864 7.793 1.071 1 1 14 . 1 1 1 A 2 2 ARG HA H 2 4.393 4.561 -0.168 1 1 22 . 1 1 1 A 2 2 ARG CA C 2 56.327 54.781 1.546 1 1 23 . 1 1 1 A 2 2 ARG N N 2 124.285 119.062 5.223 1 1 24 . 1 1 1 A 3 3 SER H H 3 8.495 8.147 0.348 1 1 25 . 1 1 1 A 3 3 SER HA H 3 4.491 4.188 0.303 1 1 28 . 1 1 1 A 3 3 SER CB C 3 64.117 63.132 0.985 1 1 29 . 1 1 1 A 3 3 SER N N 3 117.670 113.066 4.604 1 1 30 . 1 1 1 A 4 4 ARG H H 4 8.672 8.126 0.546 1 1 31 . 1 1 1 A 4 4 ARG HA H 4 4.314 4.288 0.026 1 1 39 . 1 1 1 A 4 4 ARG CA C 4 56.779 58.202 -1.423 1 1 40 . 1 1 1 A 4 4 ARG N N 4 123.739 121.036 2.703 1 1 41 . 1 1 1 A 5 5 LYS H H 5 8.328 7.693 0.635 1 1 42 . 1 1 1 A 5 5 LYS HA H 5 4.127 4.223 -0.096 1 1 49 . 1 1 1 A 5 5 LYS CA C 5 57.431 57.156 0.275 1 1 51 . 1 1 1 A 5 5 LYS N N 5 120.706 117.463 3.243 1 1 52 . 1 1 1 A 6 6 ASN H H 6 8.115 7.958 0.157 1 1 57 . 1 1 1 A 6 6 ASN CA C 6 53.066 51.850 1.216 1 1 58 . 1 1 1 A 6 6 ASN CB C 6 39.187 38.805 0.382 1 1 59 . 1 1 1 A 6 6 ASN N N 6 117.807 116.935 0.872 1 1 60 . 1 1 1 A 7 7 GLY H H 7 8.499 8.356 0.143 1 1 61 . 1 1 1 A 7 7 GLY HA2 H 7 4.051 4.136 -0.085 1 1 62 . 1 1 1 A 7 7 GLY HA3 H 7 4.051 4.300 -0.249 1 1 63 . 1 1 1 A 7 7 GLY CA C 7 46.153 45.754 0.399 1 1 64 . 1 1 1 A 7 7 GLY N N 7 108.804 111.886 -3.082 1 1 65 . 1 1 1 A 8 8 ILE H H 8 8.496 7.868 0.628 1 1 75 . 1 1 1 A 8 8 ILE CB C 8 38.082 39.339 -1.257 1 1 76 . 1 1 1 A 8 8 ILE N N 8 121.041 122.176 -1.135 1 1 77 . 1 1 1 A 9 9 GLY H H 9 8.656 8.501 0.155 1 1 78 . 1 1 1 A 9 9 GLY HA2 H 9 3.671 3.734 -0.063 1 1 79 . 1 1 1 A 9 9 GLY HA3 H 9 3.671 3.762 -0.091 1 1 80 . 1 1 1 A 9 9 GLY CA C 9 47.324 47.175 0.149 1 1 81 . 1 1 1 A 9 9 GLY N N 9 108.767 109.448 -0.681 1 1 82 . 1 1 1 A 10 10 TYR H H 10 7.987 8.234 -0.247 1 1 83 . 1 1 1 A 10 10 TYR HA H 10 4.269 4.417 -0.148 1 1 90 . 1 1 1 A 10 10 TYR CA C 10 60.713 60.071 0.642 1 1 91 . 1 1 1 A 10 10 TYR CB C 10 38.354 37.600 0.754 1 1 92 . 1 1 1 A 10 10 TYR N N 10 121.261 120.107 1.154 1 1 93 . 1 1 1 A 11 11 ALA H H 11 8.020 7.511 0.509 1 1 94 . 1 1 1 A 11 11 ALA HA H 11 4.040 3.618 0.422 1 1 98 . 1 1 1 A 11 11 ALA CA C 11 55.355 54.662 0.693 1 1 99 . 1 1 1 A 11 11 ALA CB C 11 18.737 18.203 0.534 1 1 100 . 1 1 1 A 11 11 ALA N N 11 122.295 123.361 -1.066 1 1 101 . 1 1 1 A 12 12 ILE H H 12 8.308 7.733 0.575 1 1 102 . 1 1 1 A 12 12 ILE HA H 12 3.732 3.915 -0.183 1 1 111 . 1 1 1 A 12 12 ILE CB C 12 37.611 37.707 -0.096 1 1 112 . 1 1 1 A 12 12 ILE N N 12 116.853 118.632 -1.779 1 1 113 . 1 1 1 A 13 13 GLY H H 13 8.171 8.359 -0.188 1 1 114 . 1 1 1 A 13 13 GLY HA2 H 13 3.744 3.796 -0.052 1 1 115 . 1 1 1 A 13 13 GLY HA3 H 13 3.744 3.806 -0.062 1 1 116 . 1 1 1 A 13 13 GLY CA C 13 47.343 47.210 0.133 1 1 117 . 1 1 1 A 13 13 GLY N N 13 107.089 109.430 -2.341 1 1 118 . 1 1 1 A 14 14 TYR H H 14 8.223 8.575 -0.352 1 1 119 . 1 1 1 A 14 14 TYR HA H 14 4.147 4.134 0.013 1 1 126 . 1 1 1 A 14 14 TYR CB C 14 38.415 38.998 -0.583 1 1 127 . 1 1 1 A 14 14 TYR N N 14 122.935 123.143 -0.208 1 1 128 . 1 1 1 A 15 15 ALA H H 15 8.345 8.240 0.105 1 1 129 . 1 1 1 A 15 15 ALA HA H 15 3.986 3.923 0.063 1 1 133 . 1 1 1 A 15 15 ALA CA C 15 55.067 55.054 0.013 1 1 134 . 1 1 1 A 15 15 ALA N N 15 121.882 121.673 0.209 1 1 135 . 1 1 1 A 16 16 PHE H H 16 8.668 8.570 0.098 1 1 136 . 1 1 1 A 16 16 PHE HA H 16 4.138 4.255 -0.117 1 1 143 . 1 1 1 A 16 16 PHE CA C 16 61.116 60.948 0.168 1 1 144 . 1 1 1 A 16 16 PHE CB C 16 38.857 39.246 -0.389 1 1 145 . 1 1 1 A 16 16 PHE N N 16 116.563 119.407 -2.844 1 1 146 . 1 1 1 A 17 17 GLY H H 17 8.163 9.075 -0.912 1 1 147 . 1 1 1 A 17 17 GLY HA2 H 17 3.891 3.884 0.007 1 1 148 . 1 1 1 A 17 17 GLY HA3 H 17 3.891 3.896 -0.005 1 1 149 . 1 1 1 A 17 17 GLY N N 17 105.893 106.843 -0.950 1 1 150 . 1 1 1 A 18 18 ALA H H 18 7.842 7.715 0.127 1 1 151 . 1 1 1 A 18 18 ALA HA H 18 4.035 3.924 0.111 1 1 155 . 1 1 1 A 18 18 ALA CA C 18 55.037 54.694 0.343 1 1 156 . 1 1 1 A 18 18 ALA CB C 18 18.223 18.736 -0.513 1 1 157 . 1 1 1 A 18 18 ALA N N 18 122.050 124.615 -2.565 1 1 158 . 1 1 1 A 19 19 VAL H H 19 8.010 7.653 0.357 1 1 159 . 1 1 1 A 19 19 VAL HA H 19 3.549 3.731 -0.182 1 1 167 . 1 1 1 A 19 19 VAL CA C 19 66.571 65.054 1.517 1 1 168 . 1 1 1 A 19 19 VAL CB C 19 31.436 31.530 -0.094 1 1 171 . 1 1 1 A 19 19 VAL N N 19 118.184 116.563 1.621 1 1 172 . 1 1 1 A 20 20 GLU H H 20 8.339 8.706 -0.367 1 1 173 . 1 1 1 A 20 20 GLU HA H 20 3.666 4.047 -0.381 1 1 178 . 1 1 1 A 20 20 GLU CA C 20 60.103 59.440 0.663 1 1 180 . 1 1 1 A 20 20 GLU N N 20 118.704 120.770 -2.066 1 1 181 . 1 1 1 A 21 21 ARG H H 21 7.939 8.411 -0.472 1 1 182 . 1 1 1 A 21 21 ARG HA H 21 3.935 4.009 -0.074 1 1 190 . 1 1 1 A 21 21 ARG N N 21 116.955 120.852 -3.897 1 1 191 . 1 1 1 A 22 22 ALA H H 22 7.784 7.348 0.436 1 1 192 . 1 1 1 A 22 22 ALA HA H 22 4.166 4.045 0.121 1 1 196 . 1 1 1 A 22 22 ALA CA C 22 54.645 55.043 -0.398 1 1 197 . 1 1 1 A 22 22 ALA CB C 22 18.724 18.415 0.309 1 1 198 . 1 1 1 A 22 22 ALA N N 22 121.252 121.991 -0.739 1 1 199 . 1 1 1 A 23 23 VAL H H 23 8.086 7.751 0.335 1 1 200 . 1 1 1 A 23 23 VAL HA H 23 3.872 3.632 0.240 1 1 208 . 1 1 1 A 23 23 VAL CA C 23 64.928 66.542 -1.614 1 1 209 . 1 1 1 A 23 23 VAL CB C 23 32.451 31.710 0.741 1 1 212 . 1 1 1 A 23 23 VAL N N 23 114.516 118.282 -3.766 1 1 213 . 1 1 1 A 24 24 LEU H H 24 8.060 7.757 0.303 1 1 223 . 1 1 1 A 24 24 LEU N N 24 118.014 120.124 -2.110 1 1 224 . 1 1 1 A 25 25 GLY H H 25 7.880 8.077 -0.197 1 1 225 . 1 1 1 A 25 25 GLY HA2 H 25 3.949 3.802 0.147 1 1 226 . 1 1 1 A 25 25 GLY HA3 H 25 3.966 3.805 0.161 1 1 227 . 1 1 1 A 25 25 GLY CA C 25 45.959 47.329 -1.370 1 1 228 . 1 1 1 A 25 25 GLY N N 25 106.969 109.031 -2.062 1 1 229 . 1 1 1 A 26 26 GLY H H 26 8.123 8.090 0.033 1 1 230 . 1 1 1 A 26 26 GLY HA2 H 26 3.912 3.781 0.131 1 1 231 . 1 1 1 A 26 26 GLY HA3 H 26 4.002 3.784 0.218 1 1 232 . 1 1 1 A 26 26 GLY CA C 26 45.691 46.557 -0.866 1 1 233 . 1 1 1 A 26 26 GLY N N 26 108.223 109.029 -0.806 1 1 234 . 1 1 1 A 27 27 SER H H 27 8.201 7.864 0.337 1 1 235 . 1 1 1 A 27 27 SER HA H 27 4.353 4.675 -0.322 1 1 238 . 1 1 1 A 27 27 SER CA C 27 59.117 57.109 2.008 1 1 239 . 1 1 1 A 27 27 SER CB C 27 63.770 66.290 -2.520 1 1 240 . 1 1 1 A 27 27 SER N N 27 115.317 112.041 3.276 1 1 241 . 1 1 1 A 28 28 ARG H H 28 8.155 8.635 -0.480 1 1 242 . 1 1 1 A 28 28 ARG HA H 28 4.258 3.799 0.459 1 1 250 . 1 1 1 A 28 28 ARG CA C 28 56.348 56.787 -0.439 1 1 251 . 1 1 1 A 28 28 ARG N N 28 121.519 118.339 3.180 1 1 252 . 1 1 1 A 29 29 ASP H H 29 8.167 7.809 0.358 1 1 255 . 1 1 1 A 29 29 ASP CB C 29 38.462 41.792 -3.330 1 1 256 . 1 1 1 A 29 29 ASP N N 29 118.393 118.789 -0.396 1 1 257 . 1 1 1 A 30 30 TYR H H 30 7.910 7.612 0.298 1 1 258 . 1 1 1 A 30 30 TYR HA H 30 4.484 4.869 -0.385 1 1 265 . 1 1 1 A 30 30 TYR CA C 30 58.097 56.783 1.314 1 1 266 . 1 1 1 A 30 30 TYR CB C 30 38.759 41.381 -2.622 1 1 267 . 1 1 1 A 30 30 TYR N N 30 119.859 116.572 3.287 1 1 268 . 1 1 1 A 31 31 ASN H H 31 8.152 9.435 -1.283 1 1 269 . 1 1 1 A 31 31 ASN HA H 31 4.658 4.440 0.218 1 1 274 . 1 1 1 A 31 31 ASN CA C 31 53.245 54.093 -0.848 1 1 275 . 1 1 1 A 31 31 ASN CB C 31 39.156 37.273 1.883 1 1 276 . 1 1 1 A 31 31 ASN N N 31 119.343 120.558 -1.215 1 1 13 . 2 1 1 A 2 2 ARG H H 2 8.864 7.953 0.911 1 1 14 . 2 1 1 A 2 2 ARG HA H 2 4.393 3.971 0.422 1 1 22 . 2 1 1 A 2 2 ARG CA C 2 56.327 56.807 -0.480 1 1 23 . 2 1 1 A 2 2 ARG N N 2 124.285 115.904 8.381 1 1 24 . 2 1 1 A 3 3 SER H H 3 8.495 7.951 0.544 1 1 25 . 2 1 1 A 3 3 SER HA H 3 4.491 4.285 0.206 1 1 28 . 2 1 1 A 3 3 SER CB C 3 64.117 63.309 0.808 1 1 29 . 2 1 1 A 3 3 SER N N 3 117.670 115.174 2.496 1 1 30 . 2 1 1 A 4 4 ARG H H 4 8.672 8.834 -0.162 1 1 31 . 2 1 1 A 4 4 ARG HA H 4 4.314 4.192 0.122 1 1 39 . 2 1 1 A 4 4 ARG CA C 4 56.779 57.821 -1.042 1 1 40 . 2 1 1 A 4 4 ARG N N 4 123.739 119.206 4.533 1 1 41 . 2 1 1 A 5 5 LYS H H 5 8.328 7.874 0.454 1 1 42 . 2 1 1 A 5 5 LYS HA H 5 4.127 4.332 -0.205 1 1 49 . 2 1 1 A 5 5 LYS CA C 5 57.431 57.584 -0.153 1 1 51 . 2 1 1 A 5 5 LYS N N 5 120.706 119.160 1.546 1 1 52 . 2 1 1 A 6 6 ASN H H 6 8.115 7.445 0.670 1 1 57 . 2 1 1 A 6 6 ASN CA C 6 53.066 52.421 0.645 1 1 58 . 2 1 1 A 6 6 ASN CB C 6 39.187 36.919 2.268 1 1 59 . 2 1 1 A 6 6 ASN N N 6 117.807 116.556 1.251 1 1 60 . 2 1 1 A 7 7 GLY H H 7 8.499 7.879 0.620 1 1 61 . 2 1 1 A 7 7 GLY HA2 H 7 4.051 4.135 -0.084 1 1 62 . 2 1 1 A 7 7 GLY HA3 H 7 4.051 4.303 -0.252 1 1 63 . 2 1 1 A 7 7 GLY CA C 7 46.153 45.769 0.384 1 1 64 . 2 1 1 A 7 7 GLY N N 7 108.804 111.752 -2.948 1 1 65 . 2 1 1 A 8 8 ILE H H 8 8.496 7.849 0.647 1 1 75 . 2 1 1 A 8 8 ILE CB C 8 38.082 39.345 -1.263 1 1 76 . 2 1 1 A 8 8 ILE N N 8 121.041 122.235 -1.194 1 1 77 . 2 1 1 A 9 9 GLY H H 9 8.656 8.079 0.577 1 1 78 . 2 1 1 A 9 9 GLY HA2 H 9 3.671 3.734 -0.063 1 1 79 . 2 1 1 A 9 9 GLY HA3 H 9 3.671 3.763 -0.092 1 1 80 . 2 1 1 A 9 9 GLY CA C 9 47.324 47.177 0.147 1 1 81 . 2 1 1 A 9 9 GLY N N 9 108.767 109.453 -0.686 1 1 82 . 2 1 1 A 10 10 TYR H H 10 7.987 8.238 -0.251 1 1 83 . 2 1 1 A 10 10 TYR HA H 10 4.269 4.414 -0.145 1 1 90 . 2 1 1 A 10 10 TYR CA C 10 60.713 60.072 0.641 1 1 91 . 2 1 1 A 10 10 TYR CB C 10 38.354 37.597 0.757 1 1 92 . 2 1 1 A 10 10 TYR N N 10 121.261 120.111 1.150 1 1 93 . 2 1 1 A 11 11 ALA H H 11 8.020 7.547 0.473 1 1 94 . 2 1 1 A 11 11 ALA HA H 11 4.040 3.688 0.352 1 1 98 . 2 1 1 A 11 11 ALA CA C 11 55.355 54.681 0.674 1 1 99 . 2 1 1 A 11 11 ALA CB C 11 18.737 18.201 0.536 1 1 100 . 2 1 1 A 11 11 ALA N N 11 122.295 123.381 -1.086 1 1 101 . 2 1 1 A 12 12 ILE H H 12 8.308 7.742 0.566 1 1 102 . 2 1 1 A 12 12 ILE HA H 12 3.732 3.891 -0.159 1 1 111 . 2 1 1 A 12 12 ILE CB C 12 37.611 37.718 -0.107 1 1 112 . 2 1 1 A 12 12 ILE N N 12 116.853 118.635 -1.782 1 1 113 . 2 1 1 A 13 13 GLY H H 13 8.171 8.260 -0.089 1 1 114 . 2 1 1 A 13 13 GLY HA2 H 13 3.744 3.798 -0.054 1 1 115 . 2 1 1 A 13 13 GLY HA3 H 13 3.744 3.816 -0.072 1 1 116 . 2 1 1 A 13 13 GLY CA C 13 47.343 47.234 0.109 1 1 117 . 2 1 1 A 13 13 GLY N N 13 107.089 109.362 -2.273 1 1 118 . 2 1 1 A 14 14 TYR H H 14 8.223 8.556 -0.333 1 1 119 . 2 1 1 A 14 14 TYR HA H 14 4.147 4.126 0.021 1 1 126 . 2 1 1 A 14 14 TYR CB C 14 38.415 39.005 -0.590 1 1 127 . 2 1 1 A 14 14 TYR N N 14 122.935 123.120 -0.185 1 1 128 . 2 1 1 A 15 15 ALA H H 15 8.345 8.260 0.085 1 1 129 . 2 1 1 A 15 15 ALA HA H 15 3.986 3.593 0.393 1 1 133 . 2 1 1 A 15 15 ALA CA C 15 55.067 54.865 0.202 1 1 134 . 2 1 1 A 15 15 ALA N N 15 121.882 121.303 0.579 1 1 135 . 2 1 1 A 16 16 PHE H H 16 8.668 8.516 0.152 1 1 136 . 2 1 1 A 16 16 PHE HA H 16 4.138 4.223 -0.085 1 1 143 . 2 1 1 A 16 16 PHE CA C 16 61.116 60.923 0.193 1 1 144 . 2 1 1 A 16 16 PHE CB C 16 38.857 39.172 -0.315 1 1 145 . 2 1 1 A 16 16 PHE N N 16 116.563 119.373 -2.810 1 1 146 . 2 1 1 A 17 17 GLY H H 17 8.163 9.068 -0.905 1 1 147 . 2 1 1 A 17 17 GLY HA2 H 17 3.891 3.877 0.014 1 1 148 . 2 1 1 A 17 17 GLY HA3 H 17 3.891 3.905 -0.014 1 1 149 . 2 1 1 A 17 17 GLY N N 17 105.893 106.830 -0.937 1 1 150 . 2 1 1 A 18 18 ALA H H 18 7.842 7.862 -0.020 1 1 151 . 2 1 1 A 18 18 ALA HA H 18 4.035 3.965 0.070 1 1 155 . 2 1 1 A 18 18 ALA CA C 18 55.037 54.678 0.359 1 1 156 . 2 1 1 A 18 18 ALA CB C 18 18.223 18.739 -0.516 1 1 157 . 2 1 1 A 18 18 ALA N N 18 122.050 124.631 -2.581 1 1 158 . 2 1 1 A 19 19 VAL H H 19 8.010 7.695 0.315 1 1 159 . 2 1 1 A 19 19 VAL HA H 19 3.549 3.725 -0.176 1 1 167 . 2 1 1 A 19 19 VAL CA C 19 66.571 65.032 1.539 1 1 168 . 2 1 1 A 19 19 VAL CB C 19 31.436 31.471 -0.035 1 1 171 . 2 1 1 A 19 19 VAL N N 19 118.184 116.282 1.902 1 1 172 . 2 1 1 A 20 20 GLU H H 20 8.339 8.599 -0.260 1 1 173 . 2 1 1 A 20 20 GLU HA H 20 3.666 4.040 -0.374 1 1 178 . 2 1 1 A 20 20 GLU CA C 20 60.103 59.412 0.691 1 1 180 . 2 1 1 A 20 20 GLU N N 20 118.704 120.510 -1.806 1 1 181 . 2 1 1 A 21 21 ARG H H 21 7.939 8.305 -0.366 1 1 182 . 2 1 1 A 21 21 ARG HA H 21 3.935 4.006 -0.071 1 1 190 . 2 1 1 A 21 21 ARG N N 21 116.955 120.837 -3.882 1 1 191 . 2 1 1 A 22 22 ALA H H 22 7.784 7.516 0.268 1 1 192 . 2 1 1 A 22 22 ALA HA H 22 4.166 4.033 0.133 1 1 196 . 2 1 1 A 22 22 ALA CA C 22 54.645 55.149 -0.504 1 1 197 . 2 1 1 A 22 22 ALA CB C 22 18.724 18.232 0.492 1 1 198 . 2 1 1 A 22 22 ALA N N 22 121.252 121.706 -0.454 1 1 199 . 2 1 1 A 23 23 VAL H H 23 8.086 7.605 0.481 1 1 200 . 2 1 1 A 23 23 VAL HA H 23 3.872 3.649 0.223 1 1 208 . 2 1 1 A 23 23 VAL CA C 23 64.928 66.345 -1.417 1 1 209 . 2 1 1 A 23 23 VAL CB C 23 32.451 31.578 0.873 1 1 212 . 2 1 1 A 23 23 VAL N N 23 114.516 117.946 -3.430 1 1 213 . 2 1 1 A 24 24 LEU H H 24 8.060 7.713 0.347 1 1 223 . 2 1 1 A 24 24 LEU N N 24 118.014 118.521 -0.507 1 1 224 . 2 1 1 A 25 25 GLY H H 25 7.880 8.109 -0.229 1 1 225 . 2 1 1 A 25 25 GLY HA2 H 25 3.949 3.934 0.015 1 1 226 . 2 1 1 A 25 25 GLY HA3 H 25 3.966 3.936 0.030 1 1 227 . 2 1 1 A 25 25 GLY CA C 25 45.959 45.984 -0.025 1 1 228 . 2 1 1 A 25 25 GLY N N 25 106.969 108.249 -1.280 1 1 229 . 2 1 1 A 26 26 GLY H H 26 8.123 8.239 -0.116 1 1 230 . 2 1 1 A 26 26 GLY HA2 H 26 3.912 4.152 -0.240 1 1 231 . 2 1 1 A 26 26 GLY HA3 H 26 4.002 4.153 -0.151 1 1 232 . 2 1 1 A 26 26 GLY CA C 26 45.691 45.640 0.051 1 1 233 . 2 1 1 A 26 26 GLY N N 26 108.223 112.083 -3.860 1 1 234 . 2 1 1 A 27 27 SER H H 27 8.201 8.858 -0.657 1 1 235 . 2 1 1 A 27 27 SER HA H 27 4.353 5.016 -0.663 1 1 238 . 2 1 1 A 27 27 SER CA C 27 59.117 57.504 1.613 1 1 239 . 2 1 1 A 27 27 SER CB C 27 63.770 65.917 -2.147 1 1 240 . 2 1 1 A 27 27 SER N N 27 115.317 117.230 -1.913 1 1 241 . 2 1 1 A 28 28 ARG H H 28 8.155 8.705 -0.550 1 1 242 . 2 1 1 A 28 28 ARG HA H 28 4.258 4.720 -0.462 1 1 250 . 2 1 1 A 28 28 ARG CA C 28 56.348 55.287 1.061 1 1 251 . 2 1 1 A 28 28 ARG N N 28 121.519 119.590 1.929 1 1 252 . 2 1 1 A 29 29 ASP H H 29 8.167 8.220 -0.053 1 1 255 . 2 1 1 A 29 29 ASP CB C 29 38.462 40.423 -1.961 1 1 256 . 2 1 1 A 29 29 ASP N N 29 118.393 119.223 -0.830 1 1 257 . 2 1 1 A 30 30 TYR H H 30 7.910 7.937 -0.027 1 1 258 . 2 1 1 A 30 30 TYR HA H 30 4.484 5.148 -0.664 1 1 265 . 2 1 1 A 30 30 TYR CA C 30 58.097 56.575 1.522 1 1 266 . 2 1 1 A 30 30 TYR CB C 30 38.759 43.591 -4.832 1 1 267 . 2 1 1 A 30 30 TYR N N 30 119.859 119.383 0.476 1 1 268 . 2 1 1 A 31 31 ASN H H 31 8.152 8.750 -0.598 1 1 269 . 2 1 1 A 31 31 ASN HA H 31 4.658 4.822 -0.164 1 1 274 . 2 1 1 A 31 31 ASN CA C 31 53.245 53.446 -0.201 1 1 275 . 2 1 1 A 31 31 ASN CB C 31 39.156 41.202 -2.046 1 1 276 . 2 1 1 A 31 31 ASN N N 31 119.343 119.308 0.035 1 1 13 . 3 1 1 A 2 2 ARG H H 2 8.864 8.635 0.229 1 1 14 . 3 1 1 A 2 2 ARG HA H 2 4.393 4.529 -0.136 1 1 22 . 3 1 1 A 2 2 ARG CA C 2 56.327 56.063 0.264 1 1 23 . 3 1 1 A 2 2 ARG N N 2 124.285 124.792 -0.507 1 1 24 . 3 1 1 A 3 3 SER H H 3 8.495 7.934 0.561 1 1 25 . 3 1 1 A 3 3 SER HA H 3 4.491 4.623 -0.132 1 1 28 . 3 1 1 A 3 3 SER CB C 3 64.117 64.505 -0.388 1 1 29 . 3 1 1 A 3 3 SER N N 3 117.670 112.366 5.304 1 1 30 . 3 1 1 A 4 4 ARG H H 4 8.672 7.973 0.699 1 1 31 . 3 1 1 A 4 4 ARG HA H 4 4.314 4.204 0.110 1 1 39 . 3 1 1 A 4 4 ARG CA C 4 56.779 57.935 -1.156 1 1 40 . 3 1 1 A 4 4 ARG N N 4 123.739 120.258 3.481 1 1 41 . 3 1 1 A 5 5 LYS H H 5 8.328 8.114 0.214 1 1 42 . 3 1 1 A 5 5 LYS HA H 5 4.127 4.276 -0.149 1 1 49 . 3 1 1 A 5 5 LYS CA C 5 57.431 58.168 -0.737 1 1 51 . 3 1 1 A 5 5 LYS N N 5 120.706 119.562 1.144 1 1 52 . 3 1 1 A 6 6 ASN H H 6 8.115 8.025 0.090 1 1 57 . 3 1 1 A 6 6 ASN CA C 6 53.066 51.981 1.085 1 1 58 . 3 1 1 A 6 6 ASN CB C 6 39.187 39.427 -0.240 1 1 59 . 3 1 1 A 6 6 ASN N N 6 117.807 116.579 1.228 1 1 60 . 3 1 1 A 7 7 GLY H H 7 8.499 8.251 0.248 1 1 61 . 3 1 1 A 7 7 GLY HA2 H 7 4.051 4.113 -0.062 1 1 62 . 3 1 1 A 7 7 GLY HA3 H 7 4.051 4.289 -0.238 1 1 63 . 3 1 1 A 7 7 GLY CA C 7 46.153 45.715 0.438 1 1 64 . 3 1 1 A 7 7 GLY N N 7 108.804 112.566 -3.762 1 1 65 . 3 1 1 A 8 8 ILE H H 8 8.496 7.844 0.652 1 1 75 . 3 1 1 A 8 8 ILE CB C 8 38.082 39.338 -1.256 1 1 76 . 3 1 1 A 8 8 ILE N N 8 121.041 121.658 -0.617 1 1 77 . 3 1 1 A 9 9 GLY H H 9 8.656 8.498 0.158 1 1 78 . 3 1 1 A 9 9 GLY HA2 H 9 3.671 3.727 -0.056 1 1 79 . 3 1 1 A 9 9 GLY HA3 H 9 3.671 3.756 -0.085 1 1 80 . 3 1 1 A 9 9 GLY CA C 9 47.324 47.172 0.152 1 1 81 . 3 1 1 A 9 9 GLY N N 9 108.767 109.444 -0.677 1 1 82 . 3 1 1 A 10 10 TYR H H 10 7.987 8.229 -0.242 1 1 83 . 3 1 1 A 10 10 TYR HA H 10 4.269 4.414 -0.145 1 1 90 . 3 1 1 A 10 10 TYR CA C 10 60.713 60.064 0.649 1 1 91 . 3 1 1 A 10 10 TYR CB C 10 38.354 37.600 0.754 1 1 92 . 3 1 1 A 10 10 TYR N N 10 121.261 120.077 1.184 1 1 93 . 3 1 1 A 11 11 ALA H H 11 8.020 7.506 0.514 1 1 94 . 3 1 1 A 11 11 ALA HA H 11 4.040 3.568 0.472 1 1 98 . 3 1 1 A 11 11 ALA CA C 11 55.355 54.739 0.616 1 1 99 . 3 1 1 A 11 11 ALA CB C 11 18.737 17.664 1.073 1 1 100 . 3 1 1 A 11 11 ALA N N 11 122.295 123.402 -1.107 1 1 101 . 3 1 1 A 12 12 ILE H H 12 8.308 7.608 0.700 1 1 102 . 3 1 1 A 12 12 ILE HA H 12 3.732 3.922 -0.190 1 1 111 . 3 1 1 A 12 12 ILE CB C 12 37.611 37.776 -0.165 1 1 112 . 3 1 1 A 12 12 ILE N N 12 116.853 119.097 -2.244 1 1 113 . 3 1 1 A 13 13 GLY H H 13 8.171 8.292 -0.121 1 1 114 . 3 1 1 A 13 13 GLY HA2 H 13 3.744 3.827 -0.083 1 1 115 . 3 1 1 A 13 13 GLY HA3 H 13 3.744 3.835 -0.091 1 1 116 . 3 1 1 A 13 13 GLY CA C 13 47.343 47.258 0.085 1 1 117 . 3 1 1 A 13 13 GLY N N 13 107.089 109.330 -2.241 1 1 118 . 3 1 1 A 14 14 TYR H H 14 8.223 8.434 -0.211 1 1 119 . 3 1 1 A 14 14 TYR HA H 14 4.147 4.112 0.035 1 1 126 . 3 1 1 A 14 14 TYR CB C 14 38.415 38.867 -0.452 1 1 127 . 3 1 1 A 14 14 TYR N N 14 122.935 123.279 -0.344 1 1 128 . 3 1 1 A 15 15 ALA H H 15 8.345 8.164 0.181 1 1 129 . 3 1 1 A 15 15 ALA HA H 15 3.986 3.809 0.177 1 1 133 . 3 1 1 A 15 15 ALA CA C 15 55.067 54.993 0.074 1 1 134 . 3 1 1 A 15 15 ALA N N 15 121.882 121.570 0.312 1 1 135 . 3 1 1 A 16 16 PHE H H 16 8.668 8.638 0.030 1 1 136 . 3 1 1 A 16 16 PHE HA H 16 4.138 4.256 -0.118 1 1 143 . 3 1 1 A 16 16 PHE CA C 16 61.116 60.628 0.488 1 1 144 . 3 1 1 A 16 16 PHE CB C 16 38.857 39.229 -0.372 1 1 145 . 3 1 1 A 16 16 PHE N N 16 116.563 119.046 -2.483 1 1 146 . 3 1 1 A 17 17 GLY H H 17 8.163 9.285 -1.122 1 1 147 . 3 1 1 A 17 17 GLY HA2 H 17 3.891 3.910 -0.019 1 1 148 . 3 1 1 A 17 17 GLY HA3 H 17 3.891 3.932 -0.041 1 1 149 . 3 1 1 A 17 17 GLY N N 17 105.893 106.908 -1.015 1 1 150 . 3 1 1 A 18 18 ALA H H 18 7.842 7.748 0.094 1 1 151 . 3 1 1 A 18 18 ALA HA H 18 4.035 3.931 0.104 1 1 155 . 3 1 1 A 18 18 ALA CA C 18 55.037 54.630 0.407 1 1 156 . 3 1 1 A 18 18 ALA CB C 18 18.223 18.502 -0.279 1 1 157 . 3 1 1 A 18 18 ALA N N 18 122.050 124.582 -2.532 1 1 158 . 3 1 1 A 19 19 VAL H H 19 8.010 7.796 0.214 1 1 159 . 3 1 1 A 19 19 VAL HA H 19 3.549 3.713 -0.164 1 1 167 . 3 1 1 A 19 19 VAL CA C 19 66.571 65.016 1.555 1 1 168 . 3 1 1 A 19 19 VAL CB C 19 31.436 31.414 0.022 1 1 171 . 3 1 1 A 19 19 VAL N N 19 118.184 116.203 1.981 1 1 172 . 3 1 1 A 20 20 GLU H H 20 8.339 8.726 -0.387 1 1 173 . 3 1 1 A 20 20 GLU HA H 20 3.666 4.073 -0.407 1 1 178 . 3 1 1 A 20 20 GLU CA C 20 60.103 59.326 0.777 1 1 180 . 3 1 1 A 20 20 GLU N N 20 118.704 119.978 -1.274 1 1 181 . 3 1 1 A 21 21 ARG H H 21 7.939 8.025 -0.086 1 1 182 . 3 1 1 A 21 21 ARG HA H 21 3.935 4.052 -0.117 1 1 190 . 3 1 1 A 21 21 ARG N N 21 116.955 120.854 -3.899 1 1 191 . 3 1 1 A 22 22 ALA H H 22 7.784 7.731 0.053 1 1 192 . 3 1 1 A 22 22 ALA HA H 22 4.166 4.075 0.091 1 1 196 . 3 1 1 A 22 22 ALA CA C 22 54.645 54.663 -0.018 1 1 197 . 3 1 1 A 22 22 ALA CB C 22 18.724 18.264 0.460 1 1 198 . 3 1 1 A 22 22 ALA N N 22 121.252 122.111 -0.859 1 1 199 . 3 1 1 A 23 23 VAL H H 23 8.086 7.953 0.133 1 1 200 . 3 1 1 A 23 23 VAL HA H 23 3.872 3.554 0.318 1 1 208 . 3 1 1 A 23 23 VAL CA C 23 64.928 66.881 -1.953 1 1 209 . 3 1 1 A 23 23 VAL CB C 23 32.451 31.685 0.766 1 1 212 . 3 1 1 A 23 23 VAL N N 23 114.516 119.158 -4.642 1 1 213 . 3 1 1 A 24 24 LEU H H 24 8.060 7.591 0.469 1 1 223 . 3 1 1 A 24 24 LEU N N 24 118.014 116.236 1.778 1 1 224 . 3 1 1 A 25 25 GLY H H 25 7.880 8.276 -0.396 1 1 225 . 3 1 1 A 25 25 GLY HA2 H 25 3.949 4.009 -0.060 1 1 226 . 3 1 1 A 25 25 GLY HA3 H 25 3.966 4.009 -0.043 1 1 227 . 3 1 1 A 25 25 GLY CA C 25 45.959 45.404 0.555 1 1 228 . 3 1 1 A 25 25 GLY N N 25 106.969 107.955 -0.986 1 1 229 . 3 1 1 A 26 26 GLY H H 26 8.123 8.015 0.108 1 1 230 . 3 1 1 A 26 26 GLY HA2 H 26 3.912 4.105 -0.193 1 1 231 . 3 1 1 A 26 26 GLY HA3 H 26 4.002 4.108 -0.106 1 1 232 . 3 1 1 A 26 26 GLY CA C 26 45.691 44.929 0.762 1 1 233 . 3 1 1 A 26 26 GLY N N 26 108.223 108.515 -0.292 1 1 234 . 3 1 1 A 27 27 SER H H 27 8.201 8.211 -0.010 1 1 235 . 3 1 1 A 27 27 SER HA H 27 4.353 4.890 -0.537 1 1 238 . 3 1 1 A 27 27 SER CA C 27 59.117 57.520 1.597 1 1 239 . 3 1 1 A 27 27 SER CB C 27 63.770 65.671 -1.901 1 1 240 . 3 1 1 A 27 27 SER N N 27 115.317 114.929 0.388 1 1 241 . 3 1 1 A 28 28 ARG H H 28 8.155 8.876 -0.721 1 1 242 . 3 1 1 A 28 28 ARG HA H 28 4.258 4.874 -0.616 1 1 250 . 3 1 1 A 28 28 ARG CA C 28 56.348 55.097 1.251 1 1 251 . 3 1 1 A 28 28 ARG N N 28 121.519 122.901 -1.382 1 1 252 . 3 1 1 A 29 29 ASP H H 29 8.167 9.280 -1.113 1 1 255 . 3 1 1 A 29 29 ASP CB C 29 38.462 41.162 -2.700 1 1 256 . 3 1 1 A 29 29 ASP N N 29 118.393 125.120 -6.727 1 1 257 . 3 1 1 A 30 30 TYR H H 30 7.910 8.290 -0.380 1 1 258 . 3 1 1 A 30 30 TYR HA H 30 4.484 5.196 -0.712 1 1 265 . 3 1 1 A 30 30 TYR CA C 30 58.097 56.635 1.462 1 1 266 . 3 1 1 A 30 30 TYR CB C 30 38.759 41.027 -2.268 1 1 267 . 3 1 1 A 30 30 TYR N N 30 119.859 124.138 -4.279 1 1 268 . 3 1 1 A 31 31 ASN H H 31 8.152 8.943 -0.791 1 1 269 . 3 1 1 A 31 31 ASN HA H 31 4.658 5.320 -0.662 1 1 274 . 3 1 1 A 31 31 ASN CA C 31 53.245 52.196 1.049 1 1 275 . 3 1 1 A 31 31 ASN CB C 31 39.156 39.916 -0.760 1 1 276 . 3 1 1 A 31 31 ASN N N 31 119.343 122.194 -2.851 1 1 13 . 4 1 1 A 2 2 ARG H H 2 8.864 8.334 0.530 1 1 14 . 4 1 1 A 2 2 ARG HA H 2 4.393 4.592 -0.199 1 1 22 . 4 1 1 A 2 2 ARG CA C 2 56.327 55.685 0.642 1 1 23 . 4 1 1 A 2 2 ARG N N 2 124.285 125.485 -1.200 1 1 24 . 4 1 1 A 3 3 SER H H 3 8.495 8.384 0.111 1 1 25 . 4 1 1 A 3 3 SER HA H 3 4.491 4.589 -0.098 1 1 28 . 4 1 1 A 3 3 SER CB C 3 64.117 65.831 -1.714 1 1 29 . 4 1 1 A 3 3 SER N N 3 117.670 117.722 -0.052 1 1 30 . 4 1 1 A 4 4 ARG H H 4 8.672 8.430 0.242 1 1 31 . 4 1 1 A 4 4 ARG HA H 4 4.314 4.186 0.128 1 1 39 . 4 1 1 A 4 4 ARG CA C 4 56.779 58.056 -1.277 1 1 40 . 4 1 1 A 4 4 ARG N N 4 123.739 121.526 2.213 1 1 41 . 4 1 1 A 5 5 LYS H H 5 8.328 7.940 0.388 1 1 42 . 4 1 1 A 5 5 LYS HA H 5 4.127 4.079 0.048 1 1 49 . 4 1 1 A 5 5 LYS CA C 5 57.431 57.854 -0.423 1 1 51 . 4 1 1 A 5 5 LYS N N 5 120.706 117.772 2.934 1 1 52 . 4 1 1 A 6 6 ASN H H 6 8.115 7.591 0.524 1 1 57 . 4 1 1 A 6 6 ASN CA C 6 53.066 52.887 0.179 1 1 58 . 4 1 1 A 6 6 ASN CB C 6 39.187 39.105 0.082 1 1 59 . 4 1 1 A 6 6 ASN N N 6 117.807 116.595 1.212 1 1 60 . 4 1 1 A 7 7 GLY H H 7 8.499 8.959 -0.460 1 1 61 . 4 1 1 A 7 7 GLY HA2 H 7 4.051 4.162 -0.111 1 1 62 . 4 1 1 A 7 7 GLY HA3 H 7 4.051 4.180 -0.129 1 1 63 . 4 1 1 A 7 7 GLY CA C 7 46.153 46.578 -0.425 1 1 64 . 4 1 1 A 7 7 GLY N N 7 108.804 112.382 -3.578 1 1 65 . 4 1 1 A 8 8 ILE H H 8 8.496 7.865 0.631 1 1 75 . 4 1 1 A 8 8 ILE CB C 8 38.082 40.654 -2.572 1 1 76 . 4 1 1 A 8 8 ILE N N 8 121.041 119.686 1.355 1 1 77 . 4 1 1 A 9 9 GLY H H 9 8.656 8.376 0.280 1 1 78 . 4 1 1 A 9 9 GLY HA2 H 9 3.671 3.902 -0.231 1 1 79 . 4 1 1 A 9 9 GLY HA3 H 9 3.671 3.932 -0.261 1 1 80 . 4 1 1 A 9 9 GLY CA C 9 47.324 45.849 1.475 1 1 81 . 4 1 1 A 9 9 GLY N N 9 108.767 109.203 -0.436 1 1 82 . 4 1 1 A 10 10 TYR H H 10 7.987 8.261 -0.274 1 1 83 . 4 1 1 A 10 10 TYR HA H 10 4.269 4.375 -0.106 1 1 90 . 4 1 1 A 10 10 TYR CA C 10 60.713 60.222 0.491 1 1 91 . 4 1 1 A 10 10 TYR CB C 10 38.354 37.437 0.917 1 1 92 . 4 1 1 A 10 10 TYR N N 10 121.261 120.071 1.190 1 1 93 . 4 1 1 A 11 11 ALA H H 11 8.020 7.302 0.718 1 1 94 . 4 1 1 A 11 11 ALA HA H 11 4.040 3.643 0.397 1 1 98 . 4 1 1 A 11 11 ALA CA C 11 55.355 54.656 0.699 1 1 99 . 4 1 1 A 11 11 ALA CB C 11 18.737 18.142 0.595 1 1 100 . 4 1 1 A 11 11 ALA N N 11 122.295 123.037 -0.742 1 1 101 . 4 1 1 A 12 12 ILE H H 12 8.308 8.029 0.279 1 1 102 . 4 1 1 A 12 12 ILE HA H 12 3.732 3.881 -0.149 1 1 111 . 4 1 1 A 12 12 ILE CB C 12 37.611 37.621 -0.010 1 1 112 . 4 1 1 A 12 12 ILE N N 12 116.853 118.762 -1.909 1 1 113 . 4 1 1 A 13 13 GLY H H 13 8.171 8.566 -0.395 1 1 114 . 4 1 1 A 13 13 GLY HA2 H 13 3.744 3.782 -0.038 1 1 115 . 4 1 1 A 13 13 GLY HA3 H 13 3.744 3.795 -0.051 1 1 116 . 4 1 1 A 13 13 GLY CA C 13 47.343 47.180 0.163 1 1 117 . 4 1 1 A 13 13 GLY N N 13 107.089 109.471 -2.382 1 1 118 . 4 1 1 A 14 14 TYR H H 14 8.223 8.594 -0.371 1 1 119 . 4 1 1 A 14 14 TYR HA H 14 4.147 4.154 -0.007 1 1 126 . 4 1 1 A 14 14 TYR CB C 14 38.415 38.853 -0.438 1 1 127 . 4 1 1 A 14 14 TYR N N 14 122.935 123.106 -0.171 1 1 128 . 4 1 1 A 15 15 ALA H H 15 8.345 8.165 0.180 1 1 129 . 4 1 1 A 15 15 ALA HA H 15 3.986 3.737 0.249 1 1 133 . 4 1 1 A 15 15 ALA CA C 15 55.067 54.917 0.150 1 1 134 . 4 1 1 A 15 15 ALA N N 15 121.882 121.593 0.289 1 1 135 . 4 1 1 A 16 16 PHE H H 16 8.668 8.531 0.137 1 1 136 . 4 1 1 A 16 16 PHE HA H 16 4.138 4.226 -0.088 1 1 143 . 4 1 1 A 16 16 PHE CA C 16 61.116 60.950 0.166 1 1 144 . 4 1 1 A 16 16 PHE CB C 16 38.857 39.160 -0.303 1 1 145 . 4 1 1 A 16 16 PHE N N 16 116.563 119.368 -2.805 1 1 146 . 4 1 1 A 17 17 GLY H H 17 8.163 9.021 -0.858 1 1 147 . 4 1 1 A 17 17 GLY HA2 H 17 3.891 3.867 0.024 1 1 148 . 4 1 1 A 17 17 GLY HA3 H 17 3.891 3.899 -0.008 1 1 149 . 4 1 1 A 17 17 GLY N N 17 105.893 106.870 -0.977 1 1 150 . 4 1 1 A 18 18 ALA H H 18 7.842 7.645 0.197 1 1 151 . 4 1 1 A 18 18 ALA HA H 18 4.035 3.961 0.074 1 1 155 . 4 1 1 A 18 18 ALA CA C 18 55.037 54.679 0.358 1 1 156 . 4 1 1 A 18 18 ALA CB C 18 18.223 18.709 -0.486 1 1 157 . 4 1 1 A 18 18 ALA N N 18 122.050 124.561 -2.511 1 1 158 . 4 1 1 A 19 19 VAL H H 19 8.010 7.642 0.368 1 1 159 . 4 1 1 A 19 19 VAL HA H 19 3.549 3.749 -0.200 1 1 167 . 4 1 1 A 19 19 VAL CA C 19 66.571 65.084 1.487 1 1 168 . 4 1 1 A 19 19 VAL CB C 19 31.436 31.492 -0.056 1 1 171 . 4 1 1 A 19 19 VAL N N 19 118.184 116.323 1.861 1 1 172 . 4 1 1 A 20 20 GLU H H 20 8.339 8.532 -0.193 1 1 173 . 4 1 1 A 20 20 GLU HA H 20 3.666 4.039 -0.373 1 1 178 . 4 1 1 A 20 20 GLU CA C 20 60.103 59.416 0.687 1 1 180 . 4 1 1 A 20 20 GLU N N 20 118.704 120.428 -1.724 1 1 181 . 4 1 1 A 21 21 ARG H H 21 7.939 8.282 -0.343 1 1 182 . 4 1 1 A 21 21 ARG HA H 21 3.935 4.004 -0.069 1 1 190 . 4 1 1 A 21 21 ARG N N 21 116.955 120.885 -3.930 1 1 191 . 4 1 1 A 22 22 ALA H H 22 7.784 7.528 0.256 1 1 192 . 4 1 1 A 22 22 ALA HA H 22 4.166 4.081 0.085 1 1 196 . 4 1 1 A 22 22 ALA CA C 22 54.645 55.332 -0.687 1 1 197 . 4 1 1 A 22 22 ALA CB C 22 18.724 18.598 0.126 1 1 198 . 4 1 1 A 22 22 ALA N N 22 121.252 122.091 -0.839 1 1 199 . 4 1 1 A 23 23 VAL H H 23 8.086 8.023 0.063 1 1 200 . 4 1 1 A 23 23 VAL HA H 23 3.872 3.672 0.200 1 1 208 . 4 1 1 A 23 23 VAL CA C 23 64.928 65.891 -0.963 1 1 209 . 4 1 1 A 23 23 VAL CB C 23 32.451 31.816 0.635 1 1 212 . 4 1 1 A 23 23 VAL N N 23 114.516 118.469 -3.953 1 1 213 . 4 1 1 A 24 24 LEU H H 24 8.060 8.058 0.002 1 1 223 . 4 1 1 A 24 24 LEU N N 24 118.014 119.019 -1.005 1 1 224 . 4 1 1 A 25 25 GLY H H 25 7.880 7.573 0.307 1 1 225 . 4 1 1 A 25 25 GLY HA2 H 25 3.949 4.102 -0.153 1 1 226 . 4 1 1 A 25 25 GLY HA3 H 25 3.966 4.105 -0.139 1 1 227 . 4 1 1 A 25 25 GLY CA C 25 45.959 44.713 1.246 1 1 228 . 4 1 1 A 25 25 GLY N N 25 106.969 106.523 0.446 1 1 229 . 4 1 1 A 26 26 GLY H H 26 8.123 8.647 -0.524 1 1 230 . 4 1 1 A 26 26 GLY HA2 H 26 3.912 3.928 -0.016 1 1 231 . 4 1 1 A 26 26 GLY HA3 H 26 4.002 3.928 0.074 1 1 232 . 4 1 1 A 26 26 GLY CA C 26 45.691 47.117 -1.426 1 1 233 . 4 1 1 A 26 26 GLY N N 26 108.223 111.954 -3.731 1 1 234 . 4 1 1 A 27 27 SER H H 27 8.201 8.214 -0.013 1 1 235 . 4 1 1 A 27 27 SER HA H 27 4.353 4.670 -0.317 1 1 238 . 4 1 1 A 27 27 SER CA C 27 59.117 55.655 3.462 1 1 239 . 4 1 1 A 27 27 SER CB C 27 63.770 65.644 -1.874 1 1 240 . 4 1 1 A 27 27 SER N N 27 115.317 114.029 1.288 1 1 241 . 4 1 1 A 28 28 ARG H H 28 8.155 8.780 -0.625 1 1 242 . 4 1 1 A 28 28 ARG HA H 28 4.258 4.127 0.131 1 1 250 . 4 1 1 A 28 28 ARG CA C 28 56.348 58.143 -1.795 1 1 251 . 4 1 1 A 28 28 ARG N N 28 121.519 121.802 -0.283 1 1 252 . 4 1 1 A 29 29 ASP H H 29 8.167 8.701 -0.534 1 1 255 . 4 1 1 A 29 29 ASP CB C 29 38.462 41.584 -3.122 1 1 256 . 4 1 1 A 29 29 ASP N N 29 118.393 121.373 -2.980 1 1 257 . 4 1 1 A 30 30 TYR H H 30 7.910 7.849 0.061 1 1 258 . 4 1 1 A 30 30 TYR HA H 30 4.484 4.767 -0.283 1 1 265 . 4 1 1 A 30 30 TYR CA C 30 58.097 57.434 0.663 1 1 266 . 4 1 1 A 30 30 TYR CB C 30 38.759 37.742 1.017 1 1 267 . 4 1 1 A 30 30 TYR N N 30 119.859 116.596 3.263 1 1 268 . 4 1 1 A 31 31 ASN H H 31 8.152 8.746 -0.594 1 1 269 . 4 1 1 A 31 31 ASN HA H 31 4.658 4.994 -0.336 1 1 274 . 4 1 1 A 31 31 ASN CA C 31 53.245 52.639 0.606 1 1 275 . 4 1 1 A 31 31 ASN CB C 31 39.156 38.859 0.297 1 1 276 . 4 1 1 A 31 31 ASN N N 31 119.343 121.698 -2.355 1 1 13 . 5 1 1 A 2 2 ARG H H 2 8.864 8.539 0.325 1 1 14 . 5 1 1 A 2 2 ARG HA H 2 4.393 4.647 -0.254 1 1 22 . 5 1 1 A 2 2 ARG CA C 2 56.327 55.204 1.123 1 1 23 . 5 1 1 A 2 2 ARG N N 2 124.285 123.224 1.061 1 1 24 . 5 1 1 A 3 3 SER H H 3 8.495 8.051 0.444 1 1 25 . 5 1 1 A 3 3 SER HA H 3 4.491 4.454 0.037 1 1 28 . 5 1 1 A 3 3 SER CB C 3 64.117 64.206 -0.089 1 1 29 . 5 1 1 A 3 3 SER N N 3 117.670 116.674 0.996 1 1 30 . 5 1 1 A 4 4 ARG H H 4 8.672 7.825 0.847 1 1 31 . 5 1 1 A 4 4 ARG HA H 4 4.314 4.140 0.174 1 1 39 . 5 1 1 A 4 4 ARG CA C 4 56.779 58.209 -1.430 1 1 40 . 5 1 1 A 4 4 ARG N N 4 123.739 121.838 1.901 1 1 41 . 5 1 1 A 5 5 LYS H H 5 8.328 7.694 0.634 1 1 42 . 5 1 1 A 5 5 LYS HA H 5 4.127 4.415 -0.288 1 1 49 . 5 1 1 A 5 5 LYS CA C 5 57.431 55.774 1.657 1 1 51 . 5 1 1 A 5 5 LYS N N 5 120.706 117.445 3.261 1 1 52 . 5 1 1 A 6 6 ASN H H 6 8.115 7.901 0.214 1 1 57 . 5 1 1 A 6 6 ASN CA C 6 53.066 54.279 -1.213 1 1 58 . 5 1 1 A 6 6 ASN CB C 6 39.187 37.592 1.595 1 1 59 . 5 1 1 A 6 6 ASN N N 6 117.807 115.854 1.953 1 1 60 . 5 1 1 A 7 7 GLY H H 7 8.499 8.339 0.160 1 1 61 . 5 1 1 A 7 7 GLY HA2 H 7 4.051 4.229 -0.178 1 1 62 . 5 1 1 A 7 7 GLY HA3 H 7 4.051 4.316 -0.265 1 1 63 . 5 1 1 A 7 7 GLY CA C 7 46.153 45.944 0.209 1 1 64 . 5 1 1 A 7 7 GLY N N 7 108.804 110.662 -1.858 1 1 65 . 5 1 1 A 8 8 ILE H H 8 8.496 9.088 -0.592 1 1 75 . 5 1 1 A 8 8 ILE CB C 8 38.082 37.509 0.573 1 1 76 . 5 1 1 A 8 8 ILE N N 8 121.041 125.442 -4.401 1 1 77 . 5 1 1 A 9 9 GLY H H 9 8.656 8.190 0.466 1 1 78 . 5 1 1 A 9 9 GLY HA2 H 9 3.671 3.988 -0.317 1 1 79 . 5 1 1 A 9 9 GLY HA3 H 9 3.671 4.021 -0.350 1 1 80 . 5 1 1 A 9 9 GLY CA C 9 47.324 45.352 1.972 1 1 81 . 5 1 1 A 9 9 GLY N N 9 108.767 109.991 -1.224 1 1 82 . 5 1 1 A 10 10 TYR H H 10 7.987 8.432 -0.445 1 1 83 . 5 1 1 A 10 10 TYR HA H 10 4.269 4.369 -0.100 1 1 90 . 5 1 1 A 10 10 TYR CA C 10 60.713 60.107 0.606 1 1 91 . 5 1 1 A 10 10 TYR CB C 10 38.354 37.543 0.811 1 1 92 . 5 1 1 A 10 10 TYR N N 10 121.261 119.992 1.269 1 1 93 . 5 1 1 A 11 11 ALA H H 11 8.020 7.308 0.712 1 1 94 . 5 1 1 A 11 11 ALA HA H 11 4.040 3.731 0.309 1 1 98 . 5 1 1 A 11 11 ALA CA C 11 55.355 54.712 0.643 1 1 99 . 5 1 1 A 11 11 ALA CB C 11 18.737 17.777 0.960 1 1 100 . 5 1 1 A 11 11 ALA N N 11 122.295 123.040 -0.745 1 1 101 . 5 1 1 A 12 12 ILE H H 12 8.308 8.154 0.154 1 1 102 . 5 1 1 A 12 12 ILE HA H 12 3.732 3.913 -0.181 1 1 111 . 5 1 1 A 12 12 ILE CB C 12 37.611 37.703 -0.092 1 1 112 . 5 1 1 A 12 12 ILE N N 12 116.853 119.172 -2.319 1 1 113 . 5 1 1 A 13 13 GLY H H 13 8.171 8.113 0.058 1 1 114 . 5 1 1 A 13 13 GLY HA2 H 13 3.744 3.782 -0.038 1 1 115 . 5 1 1 A 13 13 GLY HA3 H 13 3.744 3.801 -0.057 1 1 116 . 5 1 1 A 13 13 GLY CA C 13 47.343 47.196 0.147 1 1 117 . 5 1 1 A 13 13 GLY N N 13 107.089 109.616 -2.527 1 1 118 . 5 1 1 A 14 14 TYR H H 14 8.223 8.436 -0.213 1 1 119 . 5 1 1 A 14 14 TYR HA H 14 4.147 4.098 0.049 1 1 126 . 5 1 1 A 14 14 TYR CB C 14 38.415 39.082 -0.667 1 1 127 . 5 1 1 A 14 14 TYR N N 14 122.935 123.180 -0.245 1 1 128 . 5 1 1 A 15 15 ALA H H 15 8.345 8.033 0.312 1 1 129 . 5 1 1 A 15 15 ALA HA H 15 3.986 3.725 0.261 1 1 133 . 5 1 1 A 15 15 ALA CA C 15 55.067 54.922 0.145 1 1 134 . 5 1 1 A 15 15 ALA N N 15 121.882 121.402 0.480 1 1 135 . 5 1 1 A 16 16 PHE H H 16 8.668 8.775 -0.107 1 1 136 . 5 1 1 A 16 16 PHE HA H 16 4.138 4.229 -0.091 1 1 143 . 5 1 1 A 16 16 PHE CA C 16 61.116 60.855 0.261 1 1 144 . 5 1 1 A 16 16 PHE CB C 16 38.857 39.315 -0.458 1 1 145 . 5 1 1 A 16 16 PHE N N 16 116.563 119.311 -2.748 1 1 146 . 5 1 1 A 17 17 GLY H H 17 8.163 8.953 -0.790 1 1 147 . 5 1 1 A 17 17 GLY HA2 H 17 3.891 3.744 0.147 1 1 148 . 5 1 1 A 17 17 GLY HA3 H 17 3.891 3.820 0.071 1 1 149 . 5 1 1 A 17 17 GLY N N 17 105.893 106.783 -0.890 1 1 150 . 5 1 1 A 18 18 ALA H H 18 7.842 7.627 0.215 1 1 151 . 5 1 1 A 18 18 ALA HA H 18 4.035 3.929 0.106 1 1 155 . 5 1 1 A 18 18 ALA CA C 18 55.037 54.648 0.389 1 1 156 . 5 1 1 A 18 18 ALA CB C 18 18.223 18.574 -0.351 1 1 157 . 5 1 1 A 18 18 ALA N N 18 122.050 124.429 -2.379 1 1 158 . 5 1 1 A 19 19 VAL H H 19 8.010 7.766 0.244 1 1 159 . 5 1 1 A 19 19 VAL HA H 19 3.549 3.730 -0.181 1 1 167 . 5 1 1 A 19 19 VAL CA C 19 66.571 65.049 1.522 1 1 168 . 5 1 1 A 19 19 VAL CB C 19 31.436 31.559 -0.123 1 1 171 . 5 1 1 A 19 19 VAL N N 19 118.184 116.576 1.608 1 1 172 . 5 1 1 A 20 20 GLU H H 20 8.339 8.639 -0.300 1 1 173 . 5 1 1 A 20 20 GLU HA H 20 3.666 4.030 -0.364 1 1 178 . 5 1 1 A 20 20 GLU CA C 20 60.103 59.415 0.688 1 1 180 . 5 1 1 A 20 20 GLU N N 20 118.704 120.485 -1.781 1 1 181 . 5 1 1 A 21 21 ARG H H 21 7.939 8.151 -0.212 1 1 182 . 5 1 1 A 21 21 ARG HA H 21 3.935 3.995 -0.060 1 1 190 . 5 1 1 A 21 21 ARG N N 21 116.955 120.827 -3.872 1 1 191 . 5 1 1 A 22 22 ALA H H 22 7.784 7.875 -0.091 1 1 192 . 5 1 1 A 22 22 ALA HA H 22 4.166 4.009 0.157 1 1 196 . 5 1 1 A 22 22 ALA CA C 22 54.645 55.238 -0.593 1 1 197 . 5 1 1 A 22 22 ALA CB C 22 18.724 17.943 0.781 1 1 198 . 5 1 1 A 22 22 ALA N N 22 121.252 122.267 -1.015 1 1 199 . 5 1 1 A 23 23 VAL H H 23 8.086 7.877 0.209 1 1 200 . 5 1 1 A 23 23 VAL HA H 23 3.872 3.647 0.225 1 1 208 . 5 1 1 A 23 23 VAL CA C 23 64.928 66.379 -1.451 1 1 209 . 5 1 1 A 23 23 VAL CB C 23 32.451 31.724 0.727 1 1 212 . 5 1 1 A 23 23 VAL N N 23 114.516 118.082 -3.566 1 1 213 . 5 1 1 A 24 24 LEU H H 24 8.060 7.695 0.365 1 1 223 . 5 1 1 A 24 24 LEU N N 24 118.014 120.152 -2.138 1 1 224 . 5 1 1 A 25 25 GLY H H 25 7.880 8.044 -0.164 1 1 225 . 5 1 1 A 25 25 GLY HA2 H 25 3.949 4.078 -0.129 1 1 226 . 5 1 1 A 25 25 GLY HA3 H 25 3.966 4.079 -0.113 1 1 227 . 5 1 1 A 25 25 GLY CA C 25 45.959 45.144 0.815 1 1 228 . 5 1 1 A 25 25 GLY N N 25 106.969 105.862 1.107 1 1 229 . 5 1 1 A 26 26 GLY H H 26 8.123 8.250 -0.127 1 1 230 . 5 1 1 A 26 26 GLY HA2 H 26 3.912 4.198 -0.286 1 1 231 . 5 1 1 A 26 26 GLY HA3 H 26 4.002 4.198 -0.196 1 1 232 . 5 1 1 A 26 26 GLY CA C 26 45.691 46.060 -0.369 1 1 233 . 5 1 1 A 26 26 GLY N N 26 108.223 111.855 -3.632 1 1 234 . 5 1 1 A 27 27 SER H H 27 8.201 7.980 0.221 1 1 235 . 5 1 1 A 27 27 SER HA H 27 4.353 5.030 -0.677 1 1 238 . 5 1 1 A 27 27 SER CA C 27 59.117 57.700 1.417 1 1 239 . 5 1 1 A 27 27 SER CB C 27 63.770 66.590 -2.820 1 1 240 . 5 1 1 A 27 27 SER N N 27 115.317 111.388 3.929 1 1 241 . 5 1 1 A 28 28 ARG H H 28 8.155 8.459 -0.304 1 1 242 . 5 1 1 A 28 28 ARG HA H 28 4.258 4.904 -0.646 1 1 250 . 5 1 1 A 28 28 ARG CA C 28 56.348 54.934 1.414 1 1 251 . 5 1 1 A 28 28 ARG N N 28 121.519 123.780 -2.261 1 1 252 . 5 1 1 A 29 29 ASP H H 29 8.167 8.766 -0.599 1 1 255 . 5 1 1 A 29 29 ASP CB C 29 38.462 42.149 -3.687 1 1 256 . 5 1 1 A 29 29 ASP N N 29 118.393 121.678 -3.285 1 1 257 . 5 1 1 A 30 30 TYR H H 30 7.910 7.995 -0.085 1 1 258 . 5 1 1 A 30 30 TYR HA H 30 4.484 4.813 -0.329 1 1 265 . 5 1 1 A 30 30 TYR CA C 30 58.097 57.545 0.552 1 1 266 . 5 1 1 A 30 30 TYR CB C 30 38.759 40.111 -1.352 1 1 267 . 5 1 1 A 30 30 TYR N N 30 119.859 115.788 4.071 1 1 268 . 5 1 1 A 31 31 ASN H H 31 8.152 8.716 -0.564 1 1 269 . 5 1 1 A 31 31 ASN HA H 31 4.658 4.984 -0.326 1 1 274 . 5 1 1 A 31 31 ASN CA C 31 53.245 52.329 0.916 1 1 275 . 5 1 1 A 31 31 ASN CB C 31 39.156 38.797 0.359 1 1 276 . 5 1 1 A 31 31 ASN N N 31 119.343 117.234 2.109 1 1 13 . 6 1 1 A 2 2 ARG H H 2 8.864 7.998 0.866 1 1 14 . 6 1 1 A 2 2 ARG HA H 2 4.393 4.552 -0.159 1 1 22 . 6 1 1 A 2 2 ARG CA C 2 56.327 55.142 1.185 1 1 23 . 6 1 1 A 2 2 ARG N N 2 124.285 117.156 7.129 1 1 24 . 6 1 1 A 3 3 SER H H 3 8.495 8.110 0.385 1 1 25 . 6 1 1 A 3 3 SER HA H 3 4.491 4.385 0.106 1 1 28 . 6 1 1 A 3 3 SER CB C 3 64.117 63.226 0.891 1 1 29 . 6 1 1 A 3 3 SER N N 3 117.670 117.055 0.615 1 1 30 . 6 1 1 A 4 4 ARG H H 4 8.672 7.725 0.947 1 1 31 . 6 1 1 A 4 4 ARG HA H 4 4.314 4.222 0.092 1 1 39 . 6 1 1 A 4 4 ARG CA C 4 56.779 57.934 -1.155 1 1 40 . 6 1 1 A 4 4 ARG N N 4 123.739 120.319 3.420 1 1 41 . 6 1 1 A 5 5 LYS H H 5 8.328 7.503 0.825 1 1 42 . 6 1 1 A 5 5 LYS HA H 5 4.127 4.255 -0.128 1 1 49 . 6 1 1 A 5 5 LYS CA C 5 57.431 57.514 -0.083 1 1 51 . 6 1 1 A 5 5 LYS N N 5 120.706 118.232 2.474 1 1 52 . 6 1 1 A 6 6 ASN H H 6 8.115 7.623 0.492 1 1 57 . 6 1 1 A 6 6 ASN CA C 6 53.066 53.233 -0.167 1 1 58 . 6 1 1 A 6 6 ASN CB C 6 39.187 41.595 -2.408 1 1 59 . 6 1 1 A 6 6 ASN N N 6 117.807 115.986 1.821 1 1 60 . 6 1 1 A 7 7 GLY H H 7 8.499 8.591 -0.092 1 1 61 . 6 1 1 A 7 7 GLY HA2 H 7 4.051 4.285 -0.234 1 1 62 . 6 1 1 A 7 7 GLY HA3 H 7 4.051 4.374 -0.323 1 1 63 . 6 1 1 A 7 7 GLY CA C 7 46.153 45.741 0.412 1 1 64 . 6 1 1 A 7 7 GLY N N 7 108.804 110.058 -1.254 1 1 65 . 6 1 1 A 8 8 ILE H H 8 8.496 9.016 -0.520 1 1 75 . 6 1 1 A 8 8 ILE CB C 8 38.082 37.517 0.565 1 1 76 . 6 1 1 A 8 8 ILE N N 8 121.041 125.136 -4.095 1 1 77 . 6 1 1 A 9 9 GLY H H 9 8.656 8.188 0.468 1 1 78 . 6 1 1 A 9 9 GLY HA2 H 9 3.671 3.988 -0.317 1 1 79 . 6 1 1 A 9 9 GLY HA3 H 9 3.671 4.021 -0.350 1 1 80 . 6 1 1 A 9 9 GLY CA C 9 47.324 45.395 1.929 1 1 81 . 6 1 1 A 9 9 GLY N N 9 108.767 109.999 -1.232 1 1 82 . 6 1 1 A 10 10 TYR H H 10 7.987 8.519 -0.532 1 1 83 . 6 1 1 A 10 10 TYR HA H 10 4.269 4.372 -0.103 1 1 90 . 6 1 1 A 10 10 TYR CA C 10 60.713 60.109 0.604 1 1 91 . 6 1 1 A 10 10 TYR CB C 10 38.354 37.545 0.809 1 1 92 . 6 1 1 A 10 10 TYR N N 10 121.261 120.082 1.179 1 1 93 . 6 1 1 A 11 11 ALA H H 11 8.020 7.299 0.721 1 1 94 . 6 1 1 A 11 11 ALA HA H 11 4.040 3.715 0.325 1 1 98 . 6 1 1 A 11 11 ALA CA C 11 55.355 54.703 0.652 1 1 99 . 6 1 1 A 11 11 ALA CB C 11 18.737 17.693 1.044 1 1 100 . 6 1 1 A 11 11 ALA N N 11 122.295 123.037 -0.742 1 1 101 . 6 1 1 A 12 12 ILE H H 12 8.308 8.153 0.155 1 1 102 . 6 1 1 A 12 12 ILE HA H 12 3.732 3.922 -0.190 1 1 111 . 6 1 1 A 12 12 ILE CB C 12 37.611 37.803 -0.192 1 1 112 . 6 1 1 A 12 12 ILE N N 12 116.853 119.173 -2.320 1 1 113 . 6 1 1 A 13 13 GLY H H 13 8.171 8.114 0.057 1 1 114 . 6 1 1 A 13 13 GLY HA2 H 13 3.744 3.788 -0.044 1 1 115 . 6 1 1 A 13 13 GLY HA3 H 13 3.744 3.805 -0.061 1 1 116 . 6 1 1 A 13 13 GLY CA C 13 47.343 47.203 0.140 1 1 117 . 6 1 1 A 13 13 GLY N N 13 107.089 109.623 -2.534 1 1 118 . 6 1 1 A 14 14 TYR H H 14 8.223 8.447 -0.224 1 1 119 . 6 1 1 A 14 14 TYR HA H 14 4.147 4.108 0.039 1 1 126 . 6 1 1 A 14 14 TYR CB C 14 38.415 39.086 -0.671 1 1 127 . 6 1 1 A 14 14 TYR N N 14 122.935 123.187 -0.252 1 1 128 . 6 1 1 A 15 15 ALA H H 15 8.345 8.105 0.240 1 1 129 . 6 1 1 A 15 15 ALA HA H 15 3.986 3.790 0.196 1 1 133 . 6 1 1 A 15 15 ALA CA C 15 55.067 54.990 0.077 1 1 134 . 6 1 1 A 15 15 ALA N N 15 121.882 121.475 0.407 1 1 135 . 6 1 1 A 16 16 PHE H H 16 8.668 8.796 -0.128 1 1 136 . 6 1 1 A 16 16 PHE HA H 16 4.138 4.243 -0.105 1 1 143 . 6 1 1 A 16 16 PHE CA C 16 61.116 60.870 0.246 1 1 144 . 6 1 1 A 16 16 PHE CB C 16 38.857 39.326 -0.469 1 1 145 . 6 1 1 A 16 16 PHE N N 16 116.563 119.333 -2.770 1 1 146 . 6 1 1 A 17 17 GLY H H 17 8.163 8.959 -0.796 1 1 147 . 6 1 1 A 17 17 GLY HA2 H 17 3.891 3.751 0.140 1 1 148 . 6 1 1 A 17 17 GLY HA3 H 17 3.891 3.825 0.066 1 1 149 . 6 1 1 A 17 17 GLY N N 17 105.893 106.795 -0.902 1 1 150 . 6 1 1 A 18 18 ALA H H 18 7.842 7.639 0.203 1 1 151 . 6 1 1 A 18 18 ALA HA H 18 4.035 3.938 0.097 1 1 155 . 6 1 1 A 18 18 ALA CA C 18 55.037 54.653 0.384 1 1 156 . 6 1 1 A 18 18 ALA CB C 18 18.223 18.494 -0.271 1 1 157 . 6 1 1 A 18 18 ALA N N 18 122.050 124.582 -2.532 1 1 158 . 6 1 1 A 19 19 VAL H H 19 8.010 7.901 0.109 1 1 159 . 6 1 1 A 19 19 VAL HA H 19 3.549 3.772 -0.223 1 1 167 . 6 1 1 A 19 19 VAL CA C 19 66.571 65.099 1.472 1 1 168 . 6 1 1 A 19 19 VAL CB C 19 31.436 31.548 -0.112 1 1 171 . 6 1 1 A 19 19 VAL N N 19 118.184 116.237 1.947 1 1 172 . 6 1 1 A 20 20 GLU H H 20 8.339 8.522 -0.183 1 1 173 . 6 1 1 A 20 20 GLU HA H 20 3.666 4.037 -0.371 1 1 178 . 6 1 1 A 20 20 GLU CA C 20 60.103 59.406 0.697 1 1 180 . 6 1 1 A 20 20 GLU N N 20 118.704 120.670 -1.966 1 1 181 . 6 1 1 A 21 21 ARG H H 21 7.939 8.194 -0.255 1 1 182 . 6 1 1 A 21 21 ARG HA H 21 3.935 3.993 -0.058 1 1 190 . 6 1 1 A 21 21 ARG N N 21 116.955 120.754 -3.799 1 1 191 . 6 1 1 A 22 22 ALA H H 22 7.784 7.765 0.019 1 1 192 . 6 1 1 A 22 22 ALA HA H 22 4.166 4.090 0.076 1 1 196 . 6 1 1 A 22 22 ALA CA C 22 54.645 55.093 -0.448 1 1 197 . 6 1 1 A 22 22 ALA CB C 22 18.724 18.346 0.378 1 1 198 . 6 1 1 A 22 22 ALA N N 22 121.252 122.276 -1.024 1 1 199 . 6 1 1 A 23 23 VAL H H 23 8.086 7.610 0.476 1 1 200 . 6 1 1 A 23 23 VAL HA H 23 3.872 3.860 0.012 1 1 208 . 6 1 1 A 23 23 VAL CA C 23 64.928 65.272 -0.344 1 1 209 . 6 1 1 A 23 23 VAL CB C 23 32.451 31.739 0.712 1 1 212 . 6 1 1 A 23 23 VAL N N 23 114.516 118.096 -3.580 1 1 213 . 6 1 1 A 24 24 LEU H H 24 8.060 7.399 0.661 1 1 223 . 6 1 1 A 24 24 LEU N N 24 118.014 118.340 -0.326 1 1 224 . 6 1 1 A 25 25 GLY H H 25 7.880 8.409 -0.529 1 1 225 . 6 1 1 A 25 25 GLY HA2 H 25 3.949 4.033 -0.084 1 1 226 . 6 1 1 A 25 25 GLY HA3 H 25 3.966 4.034 -0.068 1 1 227 . 6 1 1 A 25 25 GLY CA C 25 45.959 45.369 0.590 1 1 228 . 6 1 1 A 25 25 GLY N N 25 106.969 106.922 0.047 1 1 229 . 6 1 1 A 26 26 GLY H H 26 8.123 8.370 -0.247 1 1 230 . 6 1 1 A 26 26 GLY HA2 H 26 3.912 4.256 -0.344 1 1 231 . 6 1 1 A 26 26 GLY HA3 H 26 4.002 4.258 -0.256 1 1 232 . 6 1 1 A 26 26 GLY CA C 26 45.691 46.190 -0.499 1 1 233 . 6 1 1 A 26 26 GLY N N 26 108.223 110.192 -1.969 1 1 234 . 6 1 1 A 27 27 SER H H 27 8.201 8.481 -0.280 1 1 235 . 6 1 1 A 27 27 SER HA H 27 4.353 4.844 -0.491 1 1 238 . 6 1 1 A 27 27 SER CA C 27 59.117 57.717 1.400 1 1 239 . 6 1 1 A 27 27 SER CB C 27 63.770 65.412 -1.642 1 1 240 . 6 1 1 A 27 27 SER N N 27 115.317 115.260 0.057 1 1 241 . 6 1 1 A 28 28 ARG H H 28 8.155 8.662 -0.507 1 1 242 . 6 1 1 A 28 28 ARG HA H 28 4.258 5.084 -0.826 1 1 250 . 6 1 1 A 28 28 ARG CA C 28 56.348 54.251 2.097 1 1 251 . 6 1 1 A 28 28 ARG N N 28 121.519 119.327 2.192 1 1 252 . 6 1 1 A 29 29 ASP H H 29 8.167 9.345 -1.178 1 1 255 . 6 1 1 A 29 29 ASP CB C 29 38.462 39.894 -1.432 1 1 256 . 6 1 1 A 29 29 ASP N N 29 118.393 119.578 -1.185 1 1 257 . 6 1 1 A 30 30 TYR H H 30 7.910 8.840 -0.930 1 1 258 . 6 1 1 A 30 30 TYR HA H 30 4.484 4.153 0.331 1 1 265 . 6 1 1 A 30 30 TYR CA C 30 58.097 58.994 -0.897 1 1 266 . 6 1 1 A 30 30 TYR CB C 30 38.759 36.139 2.620 1 1 267 . 6 1 1 A 30 30 TYR N N 30 119.859 121.866 -2.007 1 1 268 . 6 1 1 A 31 31 ASN H H 31 8.152 8.547 -0.395 1 1 269 . 6 1 1 A 31 31 ASN HA H 31 4.658 4.476 0.182 1 1 274 . 6 1 1 A 31 31 ASN CA C 31 53.245 53.856 -0.611 1 1 275 . 6 1 1 A 31 31 ASN CB C 31 39.156 36.962 2.194 1 1 276 . 6 1 1 A 31 31 ASN N N 31 119.343 116.479 2.864 1 1 13 . 7 1 1 A 2 2 ARG H H 2 8.864 8.712 0.152 1 1 14 . 7 1 1 A 2 2 ARG HA H 2 4.393 4.628 -0.235 1 1 22 . 7 1 1 A 2 2 ARG CA C 2 56.327 55.174 1.153 1 1 23 . 7 1 1 A 2 2 ARG N N 2 124.285 126.467 -2.182 1 1 24 . 7 1 1 A 3 3 SER H H 3 8.495 8.168 0.327 1 1 25 . 7 1 1 A 3 3 SER HA H 3 4.491 4.551 -0.060 1 1 28 . 7 1 1 A 3 3 SER CB C 3 64.117 64.091 0.026 1 1 29 . 7 1 1 A 3 3 SER N N 3 117.670 115.555 2.115 1 1 30 . 7 1 1 A 4 4 ARG H H 4 8.672 7.705 0.967 1 1 31 . 7 1 1 A 4 4 ARG HA H 4 4.314 4.225 0.089 1 1 39 . 7 1 1 A 4 4 ARG CA C 4 56.779 57.286 -0.507 1 1 40 . 7 1 1 A 4 4 ARG N N 4 123.739 120.218 3.521 1 1 41 . 7 1 1 A 5 5 LYS H H 5 8.328 7.849 0.479 1 1 42 . 7 1 1 A 5 5 LYS HA H 5 4.127 4.176 -0.049 1 1 49 . 7 1 1 A 5 5 LYS CA C 5 57.431 58.948 -1.517 1 1 51 . 7 1 1 A 5 5 LYS N N 5 120.706 119.000 1.706 1 1 52 . 7 1 1 A 6 6 ASN H H 6 8.115 8.280 -0.165 1 1 57 . 7 1 1 A 6 6 ASN CA C 6 53.066 54.292 -1.226 1 1 58 . 7 1 1 A 6 6 ASN CB C 6 39.187 37.772 1.415 1 1 59 . 7 1 1 A 6 6 ASN N N 6 117.807 116.601 1.206 1 1 60 . 7 1 1 A 7 7 GLY H H 7 8.499 8.699 -0.200 1 1 61 . 7 1 1 A 7 7 GLY HA2 H 7 4.051 4.124 -0.073 1 1 62 . 7 1 1 A 7 7 GLY HA3 H 7 4.051 4.297 -0.246 1 1 63 . 7 1 1 A 7 7 GLY CA C 7 46.153 45.693 0.460 1 1 64 . 7 1 1 A 7 7 GLY N N 7 108.804 112.451 -3.647 1 1 65 . 7 1 1 A 8 8 ILE H H 8 8.496 7.903 0.593 1 1 75 . 7 1 1 A 8 8 ILE CB C 8 38.082 39.481 -1.399 1 1 76 . 7 1 1 A 8 8 ILE N N 8 121.041 121.593 -0.552 1 1 77 . 7 1 1 A 9 9 GLY H H 9 8.656 8.510 0.146 1 1 78 . 7 1 1 A 9 9 GLY HA2 H 9 3.671 3.741 -0.070 1 1 79 . 7 1 1 A 9 9 GLY HA3 H 9 3.671 3.769 -0.098 1 1 80 . 7 1 1 A 9 9 GLY CA C 9 47.324 47.191 0.133 1 1 81 . 7 1 1 A 9 9 GLY N N 9 108.767 109.451 -0.684 1 1 82 . 7 1 1 A 10 10 TYR H H 10 7.987 8.236 -0.249 1 1 83 . 7 1 1 A 10 10 TYR HA H 10 4.269 4.407 -0.138 1 1 90 . 7 1 1 A 10 10 TYR CA C 10 60.713 60.080 0.633 1 1 91 . 7 1 1 A 10 10 TYR CB C 10 38.354 37.600 0.754 1 1 92 . 7 1 1 A 10 10 TYR N N 10 121.261 120.079 1.182 1 1 93 . 7 1 1 A 11 11 ALA H H 11 8.020 7.536 0.484 1 1 94 . 7 1 1 A 11 11 ALA HA H 11 4.040 3.629 0.411 1 1 98 . 7 1 1 A 11 11 ALA CA C 11 55.355 54.737 0.618 1 1 99 . 7 1 1 A 11 11 ALA CB C 11 18.737 17.491 1.246 1 1 100 . 7 1 1 A 11 11 ALA N N 11 122.295 123.459 -1.164 1 1 101 . 7 1 1 A 12 12 ILE H H 12 8.308 7.667 0.641 1 1 102 . 7 1 1 A 12 12 ILE HA H 12 3.732 3.901 -0.169 1 1 111 . 7 1 1 A 12 12 ILE CB C 12 37.611 37.700 -0.089 1 1 112 . 7 1 1 A 12 12 ILE N N 12 116.853 119.739 -2.886 1 1 113 . 7 1 1 A 13 13 GLY H H 13 8.171 7.909 0.262 1 1 114 . 7 1 1 A 13 13 GLY HA2 H 13 3.744 3.785 -0.041 1 1 115 . 7 1 1 A 13 13 GLY HA3 H 13 3.744 3.808 -0.064 1 1 116 . 7 1 1 A 13 13 GLY CA C 13 47.343 47.204 0.139 1 1 117 . 7 1 1 A 13 13 GLY N N 13 107.089 109.625 -2.536 1 1 118 . 7 1 1 A 14 14 TYR H H 14 8.223 8.193 0.030 1 1 119 . 7 1 1 A 14 14 TYR HA H 14 4.147 4.100 0.047 1 1 126 . 7 1 1 A 14 14 TYR CB C 14 38.415 39.065 -0.650 1 1 127 . 7 1 1 A 14 14 TYR N N 14 122.935 123.216 -0.281 1 1 128 . 7 1 1 A 15 15 ALA H H 15 8.345 7.876 0.469 1 1 129 . 7 1 1 A 15 15 ALA HA H 15 3.986 3.611 0.375 1 1 133 . 7 1 1 A 15 15 ALA CA C 15 55.067 54.819 0.248 1 1 134 . 7 1 1 A 15 15 ALA N N 15 121.882 121.285 0.597 1 1 135 . 7 1 1 A 16 16 PHE H H 16 8.668 8.743 -0.075 1 1 136 . 7 1 1 A 16 16 PHE HA H 16 4.138 4.224 -0.086 1 1 143 . 7 1 1 A 16 16 PHE CA C 16 61.116 60.842 0.274 1 1 144 . 7 1 1 A 16 16 PHE CB C 16 38.857 39.303 -0.446 1 1 145 . 7 1 1 A 16 16 PHE N N 16 116.563 119.286 -2.723 1 1 146 . 7 1 1 A 17 17 GLY H H 17 8.163 8.969 -0.806 1 1 147 . 7 1 1 A 17 17 GLY HA2 H 17 3.891 3.756 0.135 1 1 148 . 7 1 1 A 17 17 GLY HA3 H 17 3.891 3.840 0.051 1 1 149 . 7 1 1 A 17 17 GLY N N 17 105.893 106.795 -0.902 1 1 150 . 7 1 1 A 18 18 ALA H H 18 7.842 7.662 0.180 1 1 151 . 7 1 1 A 18 18 ALA HA H 18 4.035 3.989 0.046 1 1 155 . 7 1 1 A 18 18 ALA CA C 18 55.037 54.692 0.345 1 1 156 . 7 1 1 A 18 18 ALA CB C 18 18.223 18.623 -0.400 1 1 157 . 7 1 1 A 18 18 ALA N N 18 122.050 124.617 -2.567 1 1 158 . 7 1 1 A 19 19 VAL H H 19 8.010 7.911 0.099 1 1 159 . 7 1 1 A 19 19 VAL HA H 19 3.549 3.756 -0.207 1 1 167 . 7 1 1 A 19 19 VAL CA C 19 66.571 65.140 1.431 1 1 168 . 7 1 1 A 19 19 VAL CB C 19 31.436 31.572 -0.136 1 1 171 . 7 1 1 A 19 19 VAL N N 19 118.184 116.229 1.955 1 1 172 . 7 1 1 A 20 20 GLU H H 20 8.339 8.657 -0.318 1 1 173 . 7 1 1 A 20 20 GLU HA H 20 3.666 4.041 -0.375 1 1 178 . 7 1 1 A 20 20 GLU CA C 20 60.103 59.419 0.684 1 1 180 . 7 1 1 A 20 20 GLU N N 20 118.704 121.036 -2.332 1 1 181 . 7 1 1 A 21 21 ARG H H 21 7.939 8.222 -0.283 1 1 182 . 7 1 1 A 21 21 ARG HA H 21 3.935 4.010 -0.075 1 1 190 . 7 1 1 A 21 21 ARG N N 21 116.955 120.721 -3.766 1 1 191 . 7 1 1 A 22 22 ALA H H 22 7.784 7.454 0.330 1 1 192 . 7 1 1 A 22 22 ALA HA H 22 4.166 4.075 0.091 1 1 196 . 7 1 1 A 22 22 ALA CA C 22 54.645 55.154 -0.509 1 1 197 . 7 1 1 A 22 22 ALA CB C 22 18.724 18.409 0.315 1 1 198 . 7 1 1 A 22 22 ALA N N 22 121.252 122.093 -0.841 1 1 199 . 7 1 1 A 23 23 VAL H H 23 8.086 7.661 0.425 1 1 200 . 7 1 1 A 23 23 VAL HA H 23 3.872 3.795 0.077 1 1 208 . 7 1 1 A 23 23 VAL CA C 23 64.928 65.390 -0.462 1 1 209 . 7 1 1 A 23 23 VAL CB C 23 32.451 31.785 0.666 1 1 212 . 7 1 1 A 23 23 VAL N N 23 114.516 118.414 -3.898 1 1 213 . 7 1 1 A 24 24 LEU H H 24 8.060 7.314 0.746 1 1 223 . 7 1 1 A 24 24 LEU N N 24 118.014 118.628 -0.614 1 1 224 . 7 1 1 A 25 25 GLY H H 25 7.880 7.490 0.390 1 1 225 . 7 1 1 A 25 25 GLY HA2 H 25 3.949 4.086 -0.137 1 1 226 . 7 1 1 A 25 25 GLY HA3 H 25 3.966 4.086 -0.120 1 1 227 . 7 1 1 A 25 25 GLY CA C 25 45.959 44.852 1.107 1 1 228 . 7 1 1 A 25 25 GLY N N 25 106.969 106.829 0.140 1 1 229 . 7 1 1 A 26 26 GLY H H 26 8.123 8.625 -0.502 1 1 230 . 7 1 1 A 26 26 GLY HA2 H 26 3.912 4.083 -0.171 1 1 231 . 7 1 1 A 26 26 GLY HA3 H 26 4.002 4.089 -0.087 1 1 232 . 7 1 1 A 26 26 GLY CA C 26 45.691 45.532 0.159 1 1 233 . 7 1 1 A 26 26 GLY N N 26 108.223 110.751 -2.528 1 1 234 . 7 1 1 A 27 27 SER H H 27 8.201 7.921 0.280 1 1 235 . 7 1 1 A 27 27 SER HA H 27 4.353 4.839 -0.486 1 1 238 . 7 1 1 A 27 27 SER CA C 27 59.117 57.666 1.451 1 1 239 . 7 1 1 A 27 27 SER CB C 27 63.770 65.205 -1.435 1 1 240 . 7 1 1 A 27 27 SER N N 27 115.317 111.813 3.504 1 1 241 . 7 1 1 A 28 28 ARG H H 28 8.155 8.859 -0.704 1 1 242 . 7 1 1 A 28 28 ARG HA H 28 4.258 4.699 -0.441 1 1 250 . 7 1 1 A 28 28 ARG CA C 28 56.348 55.250 1.098 1 1 251 . 7 1 1 A 28 28 ARG N N 28 121.519 120.105 1.414 1 1 252 . 7 1 1 A 29 29 ASP H H 29 8.167 8.529 -0.362 1 1 255 . 7 1 1 A 29 29 ASP CB C 29 38.462 41.752 -3.290 1 1 256 . 7 1 1 A 29 29 ASP N N 29 118.393 121.303 -2.910 1 1 257 . 7 1 1 A 30 30 TYR H H 30 7.910 8.004 -0.094 1 1 258 . 7 1 1 A 30 30 TYR HA H 30 4.484 4.833 -0.349 1 1 265 . 7 1 1 A 30 30 TYR CA C 30 58.097 56.275 1.822 1 1 266 . 7 1 1 A 30 30 TYR CB C 30 38.759 37.901 0.858 1 1 267 . 7 1 1 A 30 30 TYR N N 30 119.859 119.714 0.145 1 1 268 . 7 1 1 A 31 31 ASN H H 31 8.152 8.188 -0.036 1 1 269 . 7 1 1 A 31 31 ASN HA H 31 4.658 4.298 0.360 1 1 274 . 7 1 1 A 31 31 ASN CA C 31 53.245 54.650 -1.405 1 1 275 . 7 1 1 A 31 31 ASN CB C 31 39.156 37.009 2.147 1 1 276 . 7 1 1 A 31 31 ASN N N 31 119.343 114.363 4.980 1 1 13 . 8 1 1 A 2 2 ARG H H 2 8.864 8.776 0.088 1 1 14 . 8 1 1 A 2 2 ARG HA H 2 4.393 4.748 -0.355 1 1 22 . 8 1 1 A 2 2 ARG CA C 2 56.327 55.398 0.929 1 1 23 . 8 1 1 A 2 2 ARG N N 2 124.285 122.351 1.934 1 1 24 . 8 1 1 A 3 3 SER H H 3 8.495 8.283 0.212 1 1 25 . 8 1 1 A 3 3 SER HA H 3 4.491 4.707 -0.216 1 1 28 . 8 1 1 A 3 3 SER CB C 3 64.117 64.648 -0.531 1 1 29 . 8 1 1 A 3 3 SER N N 3 117.670 115.924 1.746 1 1 30 . 8 1 1 A 4 4 ARG H H 4 8.672 8.007 0.665 1 1 31 . 8 1 1 A 4 4 ARG HA H 4 4.314 4.298 0.016 1 1 39 . 8 1 1 A 4 4 ARG CA C 4 56.779 57.128 -0.349 1 1 40 . 8 1 1 A 4 4 ARG N N 4 123.739 120.251 3.488 1 1 41 . 8 1 1 A 5 5 LYS H H 5 8.328 7.473 0.855 1 1 42 . 8 1 1 A 5 5 LYS HA H 5 4.127 4.489 -0.362 1 1 49 . 8 1 1 A 5 5 LYS CA C 5 57.431 55.942 1.489 1 1 51 . 8 1 1 A 5 5 LYS N N 5 120.706 116.689 4.017 1 1 52 . 8 1 1 A 6 6 ASN H H 6 8.115 7.862 0.253 1 1 57 . 8 1 1 A 6 6 ASN CA C 6 53.066 52.202 0.864 1 1 58 . 8 1 1 A 6 6 ASN CB C 6 39.187 37.660 1.527 1 1 59 . 8 1 1 A 6 6 ASN N N 6 117.807 119.007 -1.200 1 1 60 . 8 1 1 A 7 7 GLY H H 7 8.499 8.386 0.113 1 1 61 . 8 1 1 A 7 7 GLY HA2 H 7 4.051 4.122 -0.071 1 1 62 . 8 1 1 A 7 7 GLY HA3 H 7 4.051 4.276 -0.225 1 1 63 . 8 1 1 A 7 7 GLY CA C 7 46.153 45.726 0.427 1 1 64 . 8 1 1 A 7 7 GLY N N 7 108.804 113.700 -4.896 1 1 65 . 8 1 1 A 8 8 ILE H H 8 8.496 7.969 0.527 1 1 75 . 8 1 1 A 8 8 ILE CB C 8 38.082 39.491 -1.409 1 1 76 . 8 1 1 A 8 8 ILE N N 8 121.041 121.901 -0.860 1 1 77 . 8 1 1 A 9 9 GLY H H 9 8.656 8.504 0.152 1 1 78 . 8 1 1 A 9 9 GLY HA2 H 9 3.671 3.742 -0.071 1 1 79 . 8 1 1 A 9 9 GLY HA3 H 9 3.671 3.768 -0.097 1 1 80 . 8 1 1 A 9 9 GLY CA C 9 47.324 47.151 0.173 1 1 81 . 8 1 1 A 9 9 GLY N N 9 108.767 109.436 -0.669 1 1 82 . 8 1 1 A 10 10 TYR H H 10 7.987 8.187 -0.200 1 1 83 . 8 1 1 A 10 10 TYR HA H 10 4.269 4.414 -0.145 1 1 90 . 8 1 1 A 10 10 TYR CA C 10 60.713 59.986 0.727 1 1 91 . 8 1 1 A 10 10 TYR CB C 10 38.354 37.593 0.761 1 1 92 . 8 1 1 A 10 10 TYR N N 10 121.261 120.070 1.191 1 1 93 . 8 1 1 A 11 11 ALA H H 11 8.020 7.601 0.419 1 1 94 . 8 1 1 A 11 11 ALA HA H 11 4.040 3.551 0.489 1 1 98 . 8 1 1 A 11 11 ALA CA C 11 55.355 54.729 0.626 1 1 99 . 8 1 1 A 11 11 ALA CB C 11 18.737 17.696 1.041 1 1 100 . 8 1 1 A 11 11 ALA N N 11 122.295 123.619 -1.324 1 1 101 . 8 1 1 A 12 12 ILE H H 12 8.308 7.569 0.739 1 1 102 . 8 1 1 A 12 12 ILE HA H 12 3.732 3.958 -0.226 1 1 111 . 8 1 1 A 12 12 ILE CB C 12 37.611 37.837 -0.226 1 1 112 . 8 1 1 A 12 12 ILE N N 12 116.853 118.930 -2.077 1 1 113 . 8 1 1 A 13 13 GLY H H 13 8.171 8.391 -0.220 1 1 114 . 8 1 1 A 13 13 GLY HA2 H 13 3.744 3.830 -0.086 1 1 115 . 8 1 1 A 13 13 GLY HA3 H 13 3.744 3.833 -0.089 1 1 116 . 8 1 1 A 13 13 GLY CA C 13 47.343 47.320 0.023 1 1 117 . 8 1 1 A 13 13 GLY N N 13 107.089 109.318 -2.229 1 1 118 . 8 1 1 A 14 14 TYR H H 14 8.223 8.504 -0.281 1 1 119 . 8 1 1 A 14 14 TYR HA H 14 4.147 4.064 0.083 1 1 126 . 8 1 1 A 14 14 TYR CB C 14 38.415 38.690 -0.275 1 1 127 . 8 1 1 A 14 14 TYR N N 14 122.935 123.433 -0.498 1 1 128 . 8 1 1 A 15 15 ALA H H 15 8.345 7.783 0.562 1 1 129 . 8 1 1 A 15 15 ALA HA H 15 3.986 3.646 0.340 1 1 133 . 8 1 1 A 15 15 ALA CA C 15 55.067 54.865 0.202 1 1 134 . 8 1 1 A 15 15 ALA N N 15 121.882 121.297 0.585 1 1 135 . 8 1 1 A 16 16 PHE H H 16 8.668 8.941 -0.273 1 1 136 . 8 1 1 A 16 16 PHE HA H 16 4.138 4.222 -0.084 1 1 143 . 8 1 1 A 16 16 PHE CA C 16 61.116 60.557 0.559 1 1 144 . 8 1 1 A 16 16 PHE CB C 16 38.857 39.458 -0.601 1 1 145 . 8 1 1 A 16 16 PHE N N 16 116.563 119.497 -2.934 1 1 146 . 8 1 1 A 17 17 GLY H H 17 8.163 9.232 -1.069 1 1 147 . 8 1 1 A 17 17 GLY HA2 H 17 3.891 3.894 -0.003 1 1 148 . 8 1 1 A 17 17 GLY HA3 H 17 3.891 3.908 -0.017 1 1 149 . 8 1 1 A 17 17 GLY N N 17 105.893 106.807 -0.914 1 1 150 . 8 1 1 A 18 18 ALA H H 18 7.842 7.722 0.120 1 1 151 . 8 1 1 A 18 18 ALA HA H 18 4.035 3.953 0.082 1 1 155 . 8 1 1 A 18 18 ALA CA C 18 55.037 54.614 0.423 1 1 156 . 8 1 1 A 18 18 ALA CB C 18 18.223 18.351 -0.128 1 1 157 . 8 1 1 A 18 18 ALA N N 18 122.050 124.729 -2.679 1 1 158 . 8 1 1 A 19 19 VAL H H 19 8.010 8.072 -0.062 1 1 159 . 8 1 1 A 19 19 VAL HA H 19 3.549 3.707 -0.158 1 1 167 . 8 1 1 A 19 19 VAL CA C 19 66.571 65.073 1.498 1 1 168 . 8 1 1 A 19 19 VAL CB C 19 31.436 31.430 0.006 1 1 171 . 8 1 1 A 19 19 VAL N N 19 118.184 116.696 1.488 1 1 172 . 8 1 1 A 20 20 GLU H H 20 8.339 8.715 -0.376 1 1 173 . 8 1 1 A 20 20 GLU HA H 20 3.666 4.057 -0.391 1 1 178 . 8 1 1 A 20 20 GLU CA C 20 60.103 59.463 0.640 1 1 180 . 8 1 1 A 20 20 GLU N N 20 118.704 120.550 -1.846 1 1 181 . 8 1 1 A 21 21 ARG H H 21 7.939 8.221 -0.282 1 1 182 . 8 1 1 A 21 21 ARG HA H 21 3.935 4.023 -0.088 1 1 190 . 8 1 1 A 21 21 ARG N N 21 116.955 120.870 -3.915 1 1 191 . 8 1 1 A 22 22 ALA H H 22 7.784 7.924 -0.140 1 1 192 . 8 1 1 A 22 22 ALA HA H 22 4.166 4.095 0.071 1 1 196 . 8 1 1 A 22 22 ALA CA C 22 54.645 54.533 0.112 1 1 197 . 8 1 1 A 22 22 ALA CB C 22 18.724 18.304 0.420 1 1 198 . 8 1 1 A 22 22 ALA N N 22 121.252 121.834 -0.582 1 1 199 . 8 1 1 A 23 23 VAL H H 23 8.086 7.950 0.136 1 1 200 . 8 1 1 A 23 23 VAL HA H 23 3.872 3.741 0.131 1 1 208 . 8 1 1 A 23 23 VAL CA C 23 64.928 66.407 -1.479 1 1 209 . 8 1 1 A 23 23 VAL CB C 23 32.451 31.961 0.490 1 1 212 . 8 1 1 A 23 23 VAL N N 23 114.516 118.303 -3.787 1 1 213 . 8 1 1 A 24 24 LEU H H 24 8.060 8.139 -0.079 1 1 223 . 8 1 1 A 24 24 LEU N N 24 118.014 120.071 -2.057 1 1 224 . 8 1 1 A 25 25 GLY H H 25 7.880 8.321 -0.441 1 1 225 . 8 1 1 A 25 25 GLY HA2 H 25 3.949 3.955 -0.006 1 1 226 . 8 1 1 A 25 25 GLY HA3 H 25 3.966 3.957 0.009 1 1 227 . 8 1 1 A 25 25 GLY CA C 25 45.959 47.004 -1.045 1 1 228 . 8 1 1 A 25 25 GLY N N 25 106.969 108.476 -1.507 1 1 229 . 8 1 1 A 26 26 GLY H H 26 8.123 7.487 0.636 1 1 230 . 8 1 1 A 26 26 GLY HA2 H 26 3.912 4.031 -0.119 1 1 231 . 8 1 1 A 26 26 GLY HA3 H 26 4.002 4.034 -0.032 1 1 232 . 8 1 1 A 26 26 GLY CA C 26 45.691 45.630 0.061 1 1 233 . 8 1 1 A 26 26 GLY N N 26 108.223 106.226 1.997 1 1 234 . 8 1 1 A 27 27 SER H H 27 8.201 8.771 -0.570 1 1 235 . 8 1 1 A 27 27 SER HA H 27 4.353 5.138 -0.785 1 1 238 . 8 1 1 A 27 27 SER CA C 27 59.117 57.351 1.766 1 1 239 . 8 1 1 A 27 27 SER CB C 27 63.770 65.837 -2.067 1 1 240 . 8 1 1 A 27 27 SER N N 27 115.317 118.625 -3.308 1 1 241 . 8 1 1 A 28 28 ARG H H 28 8.155 8.751 -0.596 1 1 242 . 8 1 1 A 28 28 ARG HA H 28 4.258 5.161 -0.903 1 1 250 . 8 1 1 A 28 28 ARG CA C 28 56.348 54.755 1.593 1 1 251 . 8 1 1 A 28 28 ARG N N 28 121.519 119.994 1.525 1 1 252 . 8 1 1 A 29 29 ASP H H 29 8.167 8.677 -0.510 1 1 255 . 8 1 1 A 29 29 ASP CB C 29 38.462 41.343 -2.881 1 1 256 . 8 1 1 A 29 29 ASP N N 29 118.393 122.360 -3.967 1 1 257 . 8 1 1 A 30 30 TYR H H 30 7.910 7.686 0.224 1 1 258 . 8 1 1 A 30 30 TYR HA H 30 4.484 5.017 -0.533 1 1 265 . 8 1 1 A 30 30 TYR CA C 30 58.097 56.569 1.528 1 1 266 . 8 1 1 A 30 30 TYR CB C 30 38.759 41.490 -2.731 1 1 267 . 8 1 1 A 30 30 TYR N N 30 119.859 118.660 1.199 1 1 268 . 8 1 1 A 31 31 ASN H H 31 8.152 8.982 -0.830 1 1 269 . 8 1 1 A 31 31 ASN HA H 31 4.658 5.082 -0.424 1 1 274 . 8 1 1 A 31 31 ASN CA C 31 53.245 51.878 1.367 1 1 275 . 8 1 1 A 31 31 ASN CB C 31 39.156 39.494 -0.338 1 1 276 . 8 1 1 A 31 31 ASN N N 31 119.343 122.779 -3.436 1 1 13 . 9 1 1 A 2 2 ARG H H 2 8.864 8.398 0.466 1 1 14 . 9 1 1 A 2 2 ARG HA H 2 4.393 3.987 0.406 1 1 22 . 9 1 1 A 2 2 ARG CA C 2 56.327 56.915 -0.588 1 1 23 . 9 1 1 A 2 2 ARG N N 2 124.285 115.015 9.270 1 1 24 . 9 1 1 A 3 3 SER H H 3 8.495 8.263 0.232 1 1 25 . 9 1 1 A 3 3 SER HA H 3 4.491 4.555 -0.064 1 1 28 . 9 1 1 A 3 3 SER CB C 3 64.117 65.879 -1.762 1 1 29 . 9 1 1 A 3 3 SER N N 3 117.670 113.110 4.560 1 1 30 . 9 1 1 A 4 4 ARG H H 4 8.672 8.186 0.486 1 1 31 . 9 1 1 A 4 4 ARG HA H 4 4.314 4.192 0.122 1 1 39 . 9 1 1 A 4 4 ARG CA C 4 56.779 58.117 -1.338 1 1 40 . 9 1 1 A 4 4 ARG N N 4 123.739 121.236 2.503 1 1 41 . 9 1 1 A 5 5 LYS H H 5 8.328 7.801 0.527 1 1 42 . 9 1 1 A 5 5 LYS HA H 5 4.127 4.266 -0.139 1 1 49 . 9 1 1 A 5 5 LYS CA C 5 57.431 58.069 -0.638 1 1 51 . 9 1 1 A 5 5 LYS N N 5 120.706 117.729 2.977 1 1 52 . 9 1 1 A 6 6 ASN H H 6 8.115 7.878 0.237 1 1 57 . 9 1 1 A 6 6 ASN CA C 6 53.066 52.864 0.202 1 1 58 . 9 1 1 A 6 6 ASN CB C 6 39.187 41.506 -2.319 1 1 59 . 9 1 1 A 6 6 ASN N N 6 117.807 113.623 4.184 1 1 60 . 9 1 1 A 7 7 GLY H H 7 8.499 8.493 0.006 1 1 61 . 9 1 1 A 7 7 GLY HA2 H 7 4.051 4.231 -0.180 1 1 62 . 9 1 1 A 7 7 GLY HA3 H 7 4.051 4.316 -0.265 1 1 63 . 9 1 1 A 7 7 GLY CA C 7 46.153 45.840 0.313 1 1 64 . 9 1 1 A 7 7 GLY N N 7 108.804 111.426 -2.622 1 1 65 . 9 1 1 A 8 8 ILE H H 8 8.496 9.064 -0.568 1 1 75 . 9 1 1 A 8 8 ILE CB C 8 38.082 37.639 0.443 1 1 76 . 9 1 1 A 8 8 ILE N N 8 121.041 125.805 -4.764 1 1 77 . 9 1 1 A 9 9 GLY H H 9 8.656 8.174 0.482 1 1 78 . 9 1 1 A 9 9 GLY HA2 H 9 3.671 3.969 -0.298 1 1 79 . 9 1 1 A 9 9 GLY HA3 H 9 3.671 4.003 -0.332 1 1 80 . 9 1 1 A 9 9 GLY CA C 9 47.324 45.363 1.961 1 1 81 . 9 1 1 A 9 9 GLY N N 9 108.767 109.978 -1.211 1 1 82 . 9 1 1 A 10 10 TYR H H 10 7.987 8.435 -0.448 1 1 83 . 9 1 1 A 10 10 TYR HA H 10 4.269 4.387 -0.118 1 1 90 . 9 1 1 A 10 10 TYR CA C 10 60.713 60.098 0.615 1 1 91 . 9 1 1 A 10 10 TYR CB C 10 38.354 37.553 0.801 1 1 92 . 9 1 1 A 10 10 TYR N N 10 121.261 119.993 1.268 1 1 93 . 9 1 1 A 11 11 ALA H H 11 8.020 7.325 0.695 1 1 94 . 9 1 1 A 11 11 ALA HA H 11 4.040 3.661 0.379 1 1 98 . 9 1 1 A 11 11 ALA CA C 11 55.355 54.691 0.664 1 1 99 . 9 1 1 A 11 11 ALA CB C 11 18.737 18.013 0.724 1 1 100 . 9 1 1 A 11 11 ALA N N 11 122.295 122.955 -0.660 1 1 101 . 9 1 1 A 12 12 ILE H H 12 8.308 8.034 0.274 1 1 102 . 9 1 1 A 12 12 ILE HA H 12 3.732 3.903 -0.171 1 1 111 . 9 1 1 A 12 12 ILE CB C 12 37.611 37.639 -0.028 1 1 112 . 9 1 1 A 12 12 ILE N N 12 116.853 118.627 -1.774 1 1 113 . 9 1 1 A 13 13 GLY H H 13 8.171 8.215 -0.044 1 1 114 . 9 1 1 A 13 13 GLY HA2 H 13 3.744 3.810 -0.066 1 1 115 . 9 1 1 A 13 13 GLY HA3 H 13 3.744 3.811 -0.067 1 1 116 . 9 1 1 A 13 13 GLY CA C 13 47.343 47.378 -0.035 1 1 117 . 9 1 1 A 13 13 GLY N N 13 107.089 109.437 -2.348 1 1 118 . 9 1 1 A 14 14 TYR H H 14 8.223 8.636 -0.413 1 1 119 . 9 1 1 A 14 14 TYR HA H 14 4.147 4.156 -0.009 1 1 126 . 9 1 1 A 14 14 TYR CB C 14 38.415 38.646 -0.231 1 1 127 . 9 1 1 A 14 14 TYR N N 14 122.935 123.249 -0.314 1 1 128 . 9 1 1 A 15 15 ALA H H 15 8.345 8.225 0.120 1 1 129 . 9 1 1 A 15 15 ALA HA H 15 3.986 4.012 -0.026 1 1 133 . 9 1 1 A 15 15 ALA CA C 15 55.067 55.101 -0.034 1 1 134 . 9 1 1 A 15 15 ALA N N 15 121.882 122.013 -0.131 1 1 135 . 9 1 1 A 16 16 PHE H H 16 8.668 8.580 0.088 1 1 136 . 9 1 1 A 16 16 PHE HA H 16 4.138 4.275 -0.137 1 1 143 . 9 1 1 A 16 16 PHE CA C 16 61.116 60.681 0.435 1 1 144 . 9 1 1 A 16 16 PHE CB C 16 38.857 39.153 -0.296 1 1 145 . 9 1 1 A 16 16 PHE N N 16 116.563 119.055 -2.492 1 1 146 . 9 1 1 A 17 17 GLY H H 17 8.163 9.301 -1.138 1 1 147 . 9 1 1 A 17 17 GLY HA2 H 17 3.891 3.896 -0.005 1 1 148 . 9 1 1 A 17 17 GLY HA3 H 17 3.891 3.908 -0.017 1 1 149 . 9 1 1 A 17 17 GLY N N 17 105.893 106.832 -0.939 1 1 150 . 9 1 1 A 18 18 ALA H H 18 7.842 7.777 0.065 1 1 151 . 9 1 1 A 18 18 ALA HA H 18 4.035 3.891 0.144 1 1 155 . 9 1 1 A 18 18 ALA CA C 18 55.037 54.648 0.389 1 1 156 . 9 1 1 A 18 18 ALA CB C 18 18.223 18.686 -0.463 1 1 157 . 9 1 1 A 18 18 ALA N N 18 122.050 124.505 -2.455 1 1 158 . 9 1 1 A 19 19 VAL H H 19 8.010 7.659 0.351 1 1 159 . 9 1 1 A 19 19 VAL HA H 19 3.549 3.723 -0.174 1 1 167 . 9 1 1 A 19 19 VAL CA C 19 66.571 65.032 1.539 1 1 168 . 9 1 1 A 19 19 VAL CB C 19 31.436 31.499 -0.063 1 1 171 . 9 1 1 A 19 19 VAL N N 19 118.184 115.989 2.195 1 1 172 . 9 1 1 A 20 20 GLU H H 20 8.339 8.707 -0.368 1 1 173 . 9 1 1 A 20 20 GLU HA H 20 3.666 4.044 -0.378 1 1 178 . 9 1 1 A 20 20 GLU CA C 20 60.103 59.404 0.699 1 1 180 . 9 1 1 A 20 20 GLU N N 20 118.704 120.808 -2.104 1 1 181 . 9 1 1 A 21 21 ARG H H 21 7.939 8.699 -0.760 1 1 182 . 9 1 1 A 21 21 ARG HA H 21 3.935 4.012 -0.077 1 1 190 . 9 1 1 A 21 21 ARG N N 21 116.955 120.788 -3.833 1 1 191 . 9 1 1 A 22 22 ALA H H 22 7.784 7.881 -0.097 1 1 192 . 9 1 1 A 22 22 ALA HA H 22 4.166 4.074 0.092 1 1 196 . 9 1 1 A 22 22 ALA CA C 22 54.645 54.933 -0.288 1 1 197 . 9 1 1 A 22 22 ALA CB C 22 18.724 18.645 0.079 1 1 198 . 9 1 1 A 22 22 ALA N N 22 121.252 121.832 -0.580 1 1 199 . 9 1 1 A 23 23 VAL H H 23 8.086 7.807 0.279 1 1 200 . 9 1 1 A 23 23 VAL HA H 23 3.872 3.865 0.007 1 1 208 . 9 1 1 A 23 23 VAL CA C 23 64.928 65.437 -0.509 1 1 209 . 9 1 1 A 23 23 VAL CB C 23 32.451 31.701 0.750 1 1 212 . 9 1 1 A 23 23 VAL N N 23 114.516 118.776 -4.260 1 1 213 . 9 1 1 A 24 24 LEU H H 24 8.060 7.366 0.694 1 1 223 . 9 1 1 A 24 24 LEU N N 24 118.014 118.405 -0.391 1 1 224 . 9 1 1 A 25 25 GLY H H 25 7.880 8.088 -0.208 1 1 225 . 9 1 1 A 25 25 GLY HA2 H 25 3.949 4.160 -0.211 1 1 226 . 9 1 1 A 25 25 GLY HA3 H 25 3.966 4.161 -0.195 1 1 227 . 9 1 1 A 25 25 GLY CA C 25 45.959 45.715 0.244 1 1 228 . 9 1 1 A 25 25 GLY N N 25 106.969 106.997 -0.028 1 1 229 . 9 1 1 A 26 26 GLY H H 26 8.123 7.784 0.339 1 1 230 . 9 1 1 A 26 26 GLY HA2 H 26 3.912 4.130 -0.218 1 1 231 . 9 1 1 A 26 26 GLY HA3 H 26 4.002 4.132 -0.130 1 1 232 . 9 1 1 A 26 26 GLY CA C 26 45.691 45.607 0.084 1 1 233 . 9 1 1 A 26 26 GLY N N 26 108.223 107.304 0.919 1 1 234 . 9 1 1 A 27 27 SER H H 27 8.201 8.710 -0.509 1 1 235 . 9 1 1 A 27 27 SER HA H 27 4.353 5.057 -0.704 1 1 238 . 9 1 1 A 27 27 SER CA C 27 59.117 57.659 1.458 1 1 239 . 9 1 1 A 27 27 SER CB C 27 63.770 65.610 -1.840 1 1 240 . 9 1 1 A 27 27 SER N N 27 115.317 117.888 -2.571 1 1 241 . 9 1 1 A 28 28 ARG H H 28 8.155 8.741 -0.586 1 1 242 . 9 1 1 A 28 28 ARG HA H 28 4.258 4.700 -0.442 1 1 250 . 9 1 1 A 28 28 ARG CA C 28 56.348 55.185 1.163 1 1 251 . 9 1 1 A 28 28 ARG N N 28 121.519 119.472 2.047 1 1 252 . 9 1 1 A 29 29 ASP H H 29 8.167 8.355 -0.188 1 1 255 . 9 1 1 A 29 29 ASP CB C 29 38.462 41.083 -2.621 1 1 256 . 9 1 1 A 29 29 ASP N N 29 118.393 121.478 -3.085 1 1 257 . 9 1 1 A 30 30 TYR H H 30 7.910 7.802 0.108 1 1 258 . 9 1 1 A 30 30 TYR HA H 30 4.484 4.825 -0.341 1 1 265 . 9 1 1 A 30 30 TYR CA C 30 58.097 59.024 -0.927 1 1 266 . 9 1 1 A 30 30 TYR CB C 30 38.759 40.026 -1.267 1 1 267 . 9 1 1 A 30 30 TYR N N 30 119.859 113.479 6.380 1 1 268 . 9 1 1 A 31 31 ASN H H 31 8.152 8.483 -0.331 1 1 269 . 9 1 1 A 31 31 ASN HA H 31 4.658 5.089 -0.431 1 1 274 . 9 1 1 A 31 31 ASN CA C 31 53.245 51.922 1.323 1 1 275 . 9 1 1 A 31 31 ASN CB C 31 39.156 39.563 -0.407 1 1 276 . 9 1 1 A 31 31 ASN N N 31 119.343 116.111 3.232 1 1 13 . 10 1 1 A 2 2 ARG H H 2 8.864 7.896 0.968 1 1 14 . 10 1 1 A 2 2 ARG HA H 2 4.393 4.521 -0.128 1 1 22 . 10 1 1 A 2 2 ARG CA C 2 56.327 55.209 1.118 1 1 23 . 10 1 1 A 2 2 ARG N N 2 124.285 116.883 7.402 1 1 24 . 10 1 1 A 3 3 SER H H 3 8.495 8.068 0.427 1 1 25 . 10 1 1 A 3 3 SER HA H 3 4.491 4.229 0.262 1 1 28 . 10 1 1 A 3 3 SER CB C 3 64.117 62.937 1.180 1 1 29 . 10 1 1 A 3 3 SER N N 3 117.670 113.761 3.909 1 1 30 . 10 1 1 A 4 4 ARG H H 4 8.672 7.855 0.817 1 1 31 . 10 1 1 A 4 4 ARG HA H 4 4.314 4.272 0.042 1 1 39 . 10 1 1 A 4 4 ARG CA C 4 56.779 57.773 -0.994 1 1 40 . 10 1 1 A 4 4 ARG N N 4 123.739 121.361 2.378 1 1 41 . 10 1 1 A 5 5 LYS H H 5 8.328 7.738 0.590 1 1 42 . 10 1 1 A 5 5 LYS HA H 5 4.127 4.155 -0.028 1 1 49 . 10 1 1 A 5 5 LYS CA C 5 57.431 58.172 -0.741 1 1 51 . 10 1 1 A 5 5 LYS N N 5 120.706 118.514 2.192 1 1 52 . 10 1 1 A 6 6 ASN H H 6 8.115 7.917 0.198 1 1 57 . 10 1 1 A 6 6 ASN CA C 6 53.066 52.189 0.877 1 1 58 . 10 1 1 A 6 6 ASN CB C 6 39.187 40.825 -1.638 1 1 59 . 10 1 1 A 6 6 ASN N N 6 117.807 116.327 1.480 1 1 60 . 10 1 1 A 7 7 GLY H H 7 8.499 8.545 -0.046 1 1 61 . 10 1 1 A 7 7 GLY HA2 H 7 4.051 4.042 0.009 1 1 62 . 10 1 1 A 7 7 GLY HA3 H 7 4.051 4.047 0.004 1 1 63 . 10 1 1 A 7 7 GLY CA C 7 46.153 45.667 0.486 1 1 64 . 10 1 1 A 7 7 GLY N N 7 108.804 111.515 -2.711 1 1 65 . 10 1 1 A 8 8 ILE H H 8 8.496 8.318 0.178 1 1 75 . 10 1 1 A 8 8 ILE CB C 8 38.082 38.872 -0.790 1 1 76 . 10 1 1 A 8 8 ILE N N 8 121.041 121.385 -0.344 1 1 77 . 10 1 1 A 9 9 GLY H H 9 8.656 8.492 0.164 1 1 78 . 10 1 1 A 9 9 GLY HA2 H 9 3.671 3.723 -0.052 1 1 79 . 10 1 1 A 9 9 GLY HA3 H 9 3.671 3.744 -0.073 1 1 80 . 10 1 1 A 9 9 GLY CA C 9 47.324 47.389 -0.065 1 1 81 . 10 1 1 A 9 9 GLY N N 9 108.767 109.397 -0.630 1 1 82 . 10 1 1 A 10 10 TYR H H 10 7.987 8.254 -0.267 1 1 83 . 10 1 1 A 10 10 TYR HA H 10 4.269 4.335 -0.066 1 1 90 . 10 1 1 A 10 10 TYR CA C 10 60.713 60.380 0.333 1 1 91 . 10 1 1 A 10 10 TYR CB C 10 38.354 37.812 0.542 1 1 92 . 10 1 1 A 10 10 TYR N N 10 121.261 120.863 0.398 1 1 93 . 10 1 1 A 11 11 ALA H H 11 8.020 7.966 0.054 1 1 94 . 10 1 1 A 11 11 ALA HA H 11 4.040 3.304 0.736 1 1 98 . 10 1 1 A 11 11 ALA CA C 11 55.355 54.659 0.696 1 1 99 . 10 1 1 A 11 11 ALA CB C 11 18.737 18.087 0.650 1 1 100 . 10 1 1 A 11 11 ALA N N 11 122.295 123.480 -1.185 1 1 101 . 10 1 1 A 12 12 ILE H H 12 8.308 7.615 0.693 1 1 102 . 10 1 1 A 12 12 ILE HA H 12 3.732 3.868 -0.136 1 1 111 . 10 1 1 A 12 12 ILE CB C 12 37.611 37.672 -0.061 1 1 112 . 10 1 1 A 12 12 ILE N N 12 116.853 119.058 -2.205 1 1 113 . 10 1 1 A 13 13 GLY H H 13 8.171 7.850 0.321 1 1 114 . 10 1 1 A 13 13 GLY HA2 H 13 3.744 3.786 -0.042 1 1 115 . 10 1 1 A 13 13 GLY HA3 H 13 3.744 3.804 -0.060 1 1 116 . 10 1 1 A 13 13 GLY CA C 13 47.343 47.210 0.133 1 1 117 . 10 1 1 A 13 13 GLY N N 13 107.089 109.444 -2.355 1 1 118 . 10 1 1 A 14 14 TYR H H 14 8.223 8.436 -0.213 1 1 119 . 10 1 1 A 14 14 TYR HA H 14 4.147 4.086 0.061 1 1 126 . 10 1 1 A 14 14 TYR CB C 14 38.415 38.879 -0.464 1 1 127 . 10 1 1 A 14 14 TYR N N 14 122.935 123.144 -0.209 1 1 128 . 10 1 1 A 15 15 ALA H H 15 8.345 7.960 0.385 1 1 129 . 10 1 1 A 15 15 ALA HA H 15 3.986 3.583 0.403 1 1 133 . 10 1 1 A 15 15 ALA CA C 15 55.067 54.808 0.259 1 1 134 . 10 1 1 A 15 15 ALA N N 15 121.882 121.089 0.793 1 1 135 . 10 1 1 A 16 16 PHE H H 16 8.668 8.536 0.132 1 1 136 . 10 1 1 A 16 16 PHE HA H 16 4.138 4.217 -0.079 1 1 143 . 10 1 1 A 16 16 PHE CA C 16 61.116 60.889 0.227 1 1 144 . 10 1 1 A 16 16 PHE CB C 16 38.857 39.207 -0.350 1 1 145 . 10 1 1 A 16 16 PHE N N 16 116.563 119.374 -2.811 1 1 146 . 10 1 1 A 17 17 GLY H H 17 8.163 9.200 -1.037 1 1 147 . 10 1 1 A 17 17 GLY HA2 H 17 3.891 3.909 -0.018 1 1 148 . 10 1 1 A 17 17 GLY HA3 H 17 3.891 3.914 -0.023 1 1 149 . 10 1 1 A 17 17 GLY N N 17 105.893 106.842 -0.949 1 1 150 . 10 1 1 A 18 18 ALA H H 18 7.842 7.941 -0.099 1 1 151 . 10 1 1 A 18 18 ALA HA H 18 4.035 3.984 0.051 1 1 155 . 10 1 1 A 18 18 ALA CA C 18 55.037 54.756 0.281 1 1 156 . 10 1 1 A 18 18 ALA CB C 18 18.223 18.799 -0.576 1 1 157 . 10 1 1 A 18 18 ALA N N 18 122.050 124.495 -2.445 1 1 158 . 10 1 1 A 19 19 VAL H H 19 8.010 7.628 0.382 1 1 159 . 10 1 1 A 19 19 VAL HA H 19 3.549 3.722 -0.173 1 1 167 . 10 1 1 A 19 19 VAL CA C 19 66.571 65.061 1.510 1 1 168 . 10 1 1 A 19 19 VAL CB C 19 31.436 31.485 -0.049 1 1 171 . 10 1 1 A 19 19 VAL N N 19 118.184 116.511 1.673 1 1 172 . 10 1 1 A 20 20 GLU H H 20 8.339 8.467 -0.128 1 1 173 . 10 1 1 A 20 20 GLU HA H 20 3.666 4.042 -0.376 1 1 178 . 10 1 1 A 20 20 GLU CA C 20 60.103 59.465 0.638 1 1 180 . 10 1 1 A 20 20 GLU N N 20 118.704 120.584 -1.880 1 1 181 . 10 1 1 A 21 21 ARG H H 21 7.939 8.624 -0.685 1 1 182 . 10 1 1 A 21 21 ARG HA H 21 3.935 4.036 -0.101 1 1 190 . 10 1 1 A 21 21 ARG N N 21 116.955 120.757 -3.802 1 1 191 . 10 1 1 A 22 22 ALA H H 22 7.784 7.818 -0.034 1 1 192 . 10 1 1 A 22 22 ALA HA H 22 4.166 4.047 0.119 1 1 196 . 10 1 1 A 22 22 ALA CA C 22 54.645 55.229 -0.584 1 1 197 . 10 1 1 A 22 22 ALA CB C 22 18.724 18.484 0.240 1 1 198 . 10 1 1 A 22 22 ALA N N 22 121.252 122.038 -0.786 1 1 199 . 10 1 1 A 23 23 VAL H H 23 8.086 8.041 0.045 1 1 200 . 10 1 1 A 23 23 VAL HA H 23 3.872 3.671 0.201 1 1 208 . 10 1 1 A 23 23 VAL CA C 23 64.928 65.977 -1.049 1 1 209 . 10 1 1 A 23 23 VAL CB C 23 32.451 31.833 0.618 1 1 212 . 10 1 1 A 23 23 VAL N N 23 114.516 118.681 -4.165 1 1 213 . 10 1 1 A 24 24 LEU H H 24 8.060 7.522 0.538 1 1 223 . 10 1 1 A 24 24 LEU N N 24 118.014 118.571 -0.557 1 1 224 . 10 1 1 A 25 25 GLY H H 25 7.880 8.566 -0.686 1 1 225 . 10 1 1 A 25 25 GLY HA2 H 25 3.949 3.876 0.073 1 1 226 . 10 1 1 A 25 25 GLY HA3 H 25 3.966 3.877 0.089 1 1 227 . 10 1 1 A 25 25 GLY CA C 25 45.959 47.011 -1.052 1 1 228 . 10 1 1 A 25 25 GLY N N 25 106.969 108.674 -1.705 1 1 229 . 10 1 1 A 26 26 GLY H H 26 8.123 8.026 0.097 1 1 230 . 10 1 1 A 26 26 GLY HA2 H 26 3.912 4.088 -0.176 1 1 231 . 10 1 1 A 26 26 GLY HA3 H 26 4.002 4.089 -0.087 1 1 232 . 10 1 1 A 26 26 GLY CA C 26 45.691 45.765 -0.074 1 1 233 . 10 1 1 A 26 26 GLY N N 26 108.223 107.287 0.936 1 1 234 . 10 1 1 A 27 27 SER H H 27 8.201 8.751 -0.550 1 1 235 . 10 1 1 A 27 27 SER HA H 27 4.353 5.171 -0.818 1 1 238 . 10 1 1 A 27 27 SER CA C 27 59.117 57.370 1.747 1 1 239 . 10 1 1 A 27 27 SER CB C 27 63.770 65.951 -2.181 1 1 240 . 10 1 1 A 27 27 SER N N 27 115.317 117.855 -2.538 1 1 241 . 10 1 1 A 28 28 ARG H H 28 8.155 8.740 -0.585 1 1 242 . 10 1 1 A 28 28 ARG HA H 28 4.258 4.630 -0.372 1 1 250 . 10 1 1 A 28 28 ARG CA C 28 56.348 55.326 1.022 1 1 251 . 10 1 1 A 28 28 ARG N N 28 121.519 119.506 2.013 1 1 252 . 10 1 1 A 29 29 ASP H H 29 8.167 7.984 0.183 1 1 255 . 10 1 1 A 29 29 ASP CB C 29 38.462 42.742 -4.280 1 1 256 . 10 1 1 A 29 29 ASP N N 29 118.393 117.745 0.648 1 1 257 . 10 1 1 A 30 30 TYR H H 30 7.910 7.622 0.288 1 1 258 . 10 1 1 A 30 30 TYR HA H 30 4.484 4.924 -0.440 1 1 265 . 10 1 1 A 30 30 TYR CA C 30 58.097 56.720 1.377 1 1 266 . 10 1 1 A 30 30 TYR CB C 30 38.759 42.527 -3.768 1 1 267 . 10 1 1 A 30 30 TYR N N 30 119.859 117.411 2.448 1 1 268 . 10 1 1 A 31 31 ASN H H 31 8.152 9.119 -0.967 1 1 269 . 10 1 1 A 31 31 ASN HA H 31 4.658 4.638 0.020 1 1 274 . 10 1 1 A 31 31 ASN CA C 31 53.245 55.725 -2.480 1 1 275 . 10 1 1 A 31 31 ASN CB C 31 39.156 38.552 0.604 1 1 276 . 10 1 1 A 31 31 ASN N N 31 119.343 123.320 -3.977 1 1 13 . 11 1 1 A 2 2 ARG H H 2 8.864 8.916 -0.052 1 1 14 . 11 1 1 A 2 2 ARG HA H 2 4.393 3.791 0.602 1 1 22 . 11 1 1 A 2 2 ARG CA C 2 56.327 56.977 -0.650 1 1 23 . 11 1 1 A 2 2 ARG N N 2 124.285 124.256 0.029 1 1 24 . 11 1 1 A 3 3 SER H H 3 8.495 8.199 0.296 1 1 25 . 11 1 1 A 3 3 SER HA H 3 4.491 4.772 -0.281 1 1 28 . 11 1 1 A 3 3 SER CB C 3 64.117 64.451 -0.334 1 1 29 . 11 1 1 A 3 3 SER N N 3 117.670 112.643 5.027 1 1 30 . 11 1 1 A 4 4 ARG H H 4 8.672 7.952 0.720 1 1 31 . 11 1 1 A 4 4 ARG HA H 4 4.314 4.218 0.096 1 1 39 . 11 1 1 A 4 4 ARG CA C 4 56.779 57.740 -0.961 1 1 40 . 11 1 1 A 4 4 ARG N N 4 123.739 122.079 1.660 1 1 41 . 11 1 1 A 5 5 LYS H H 5 8.328 7.933 0.395 1 1 42 . 11 1 1 A 5 5 LYS HA H 5 4.127 4.144 -0.017 1 1 49 . 11 1 1 A 5 5 LYS CA C 5 57.431 57.669 -0.238 1 1 51 . 11 1 1 A 5 5 LYS N N 5 120.706 118.411 2.295 1 1 52 . 11 1 1 A 6 6 ASN H H 6 8.115 7.808 0.307 1 1 57 . 11 1 1 A 6 6 ASN CA C 6 53.066 52.306 0.760 1 1 58 . 11 1 1 A 6 6 ASN CB C 6 39.187 39.416 -0.229 1 1 59 . 11 1 1 A 6 6 ASN N N 6 117.807 115.773 2.034 1 1 60 . 11 1 1 A 7 7 GLY H H 7 8.499 8.544 -0.045 1 1 61 . 11 1 1 A 7 7 GLY HA2 H 7 4.051 4.138 -0.087 1 1 62 . 11 1 1 A 7 7 GLY HA3 H 7 4.051 4.154 -0.103 1 1 63 . 11 1 1 A 7 7 GLY CA C 7 46.153 44.680 1.473 1 1 64 . 11 1 1 A 7 7 GLY N N 7 108.804 108.476 0.328 1 1 65 . 11 1 1 A 8 8 ILE H H 8 8.496 8.109 0.387 1 1 75 . 11 1 1 A 8 8 ILE CB C 8 38.082 38.963 -0.881 1 1 76 . 11 1 1 A 8 8 ILE N N 8 121.041 122.311 -1.270 1 1 77 . 11 1 1 A 9 9 GLY H H 9 8.656 8.563 0.093 1 1 78 . 11 1 1 A 9 9 GLY HA2 H 9 3.671 3.740 -0.069 1 1 79 . 11 1 1 A 9 9 GLY HA3 H 9 3.671 3.764 -0.093 1 1 80 . 11 1 1 A 9 9 GLY CA C 9 47.324 47.380 -0.056 1 1 81 . 11 1 1 A 9 9 GLY N N 9 108.767 109.458 -0.691 1 1 82 . 11 1 1 A 10 10 TYR H H 10 7.987 8.200 -0.213 1 1 83 . 11 1 1 A 10 10 TYR HA H 10 4.269 4.377 -0.108 1 1 90 . 11 1 1 A 10 10 TYR CA C 10 60.713 60.225 0.488 1 1 91 . 11 1 1 A 10 10 TYR CB C 10 38.354 37.691 0.663 1 1 92 . 11 1 1 A 10 10 TYR N N 10 121.261 120.666 0.595 1 1 93 . 11 1 1 A 11 11 ALA H H 11 8.020 7.771 0.249 1 1 94 . 11 1 1 A 11 11 ALA HA H 11 4.040 3.336 0.704 1 1 98 . 11 1 1 A 11 11 ALA CA C 11 55.355 54.631 0.724 1 1 99 . 11 1 1 A 11 11 ALA CB C 11 18.737 18.289 0.448 1 1 100 . 11 1 1 A 11 11 ALA N N 11 122.295 123.375 -1.080 1 1 101 . 11 1 1 A 12 12 ILE H H 12 8.308 7.631 0.677 1 1 102 . 11 1 1 A 12 12 ILE HA H 12 3.732 3.871 -0.139 1 1 111 . 11 1 1 A 12 12 ILE CB C 12 37.611 37.645 -0.034 1 1 112 . 11 1 1 A 12 12 ILE N N 12 116.853 118.762 -1.909 1 1 113 . 11 1 1 A 13 13 GLY H H 13 8.171 8.230 -0.059 1 1 114 . 11 1 1 A 13 13 GLY HA2 H 13 3.744 3.779 -0.035 1 1 115 . 11 1 1 A 13 13 GLY HA3 H 13 3.744 3.790 -0.046 1 1 116 . 11 1 1 A 13 13 GLY CA C 13 47.343 47.153 0.190 1 1 117 . 11 1 1 A 13 13 GLY N N 13 107.089 109.446 -2.357 1 1 118 . 11 1 1 A 14 14 TYR H H 14 8.223 8.555 -0.332 1 1 119 . 11 1 1 A 14 14 TYR HA H 14 4.147 4.141 0.006 1 1 126 . 11 1 1 A 14 14 TYR CB C 14 38.415 38.667 -0.252 1 1 127 . 11 1 1 A 14 14 TYR N N 14 122.935 123.062 -0.127 1 1 128 . 11 1 1 A 15 15 ALA H H 15 8.345 8.108 0.237 1 1 129 . 11 1 1 A 15 15 ALA HA H 15 3.986 3.754 0.232 1 1 133 . 11 1 1 A 15 15 ALA CA C 15 55.067 54.927 0.140 1 1 134 . 11 1 1 A 15 15 ALA N N 15 121.882 121.588 0.294 1 1 135 . 11 1 1 A 16 16 PHE H H 16 8.668 8.525 0.143 1 1 136 . 11 1 1 A 16 16 PHE HA H 16 4.138 4.230 -0.092 1 1 143 . 11 1 1 A 16 16 PHE CA C 16 61.116 60.942 0.174 1 1 144 . 11 1 1 A 16 16 PHE CB C 16 38.857 39.176 -0.319 1 1 145 . 11 1 1 A 16 16 PHE N N 16 116.563 119.366 -2.803 1 1 146 . 11 1 1 A 17 17 GLY H H 17 8.163 9.007 -0.844 1 1 147 . 11 1 1 A 17 17 GLY HA2 H 17 3.891 3.871 0.020 1 1 148 . 11 1 1 A 17 17 GLY HA3 H 17 3.891 3.896 -0.005 1 1 149 . 11 1 1 A 17 17 GLY N N 17 105.893 106.862 -0.969 1 1 150 . 11 1 1 A 18 18 ALA H H 18 7.842 7.629 0.213 1 1 151 . 11 1 1 A 18 18 ALA HA H 18 4.035 3.946 0.089 1 1 155 . 11 1 1 A 18 18 ALA CA C 18 55.037 54.663 0.374 1 1 156 . 11 1 1 A 18 18 ALA CB C 18 18.223 18.656 -0.433 1 1 157 . 11 1 1 A 18 18 ALA N N 18 122.050 124.552 -2.502 1 1 158 . 11 1 1 A 19 19 VAL H H 19 8.010 7.688 0.322 1 1 159 . 11 1 1 A 19 19 VAL HA H 19 3.549 3.751 -0.202 1 1 167 . 11 1 1 A 19 19 VAL CA C 19 66.571 65.100 1.471 1 1 168 . 11 1 1 A 19 19 VAL CB C 19 31.436 31.495 -0.059 1 1 171 . 11 1 1 A 19 19 VAL N N 19 118.184 116.234 1.950 1 1 172 . 11 1 1 A 20 20 GLU H H 20 8.339 8.372 -0.033 1 1 173 . 11 1 1 A 20 20 GLU HA H 20 3.666 4.021 -0.355 1 1 178 . 11 1 1 A 20 20 GLU CA C 20 60.103 59.441 0.662 1 1 180 . 11 1 1 A 20 20 GLU N N 20 118.704 120.697 -1.993 1 1 181 . 11 1 1 A 21 21 ARG H H 21 7.939 8.278 -0.339 1 1 182 . 11 1 1 A 21 21 ARG HA H 21 3.935 4.015 -0.080 1 1 190 . 11 1 1 A 21 21 ARG N N 21 116.955 120.692 -3.737 1 1 191 . 11 1 1 A 22 22 ALA H H 22 7.784 7.259 0.525 1 1 192 . 11 1 1 A 22 22 ALA HA H 22 4.166 4.054 0.112 1 1 196 . 11 1 1 A 22 22 ALA CA C 22 54.645 55.202 -0.557 1 1 197 . 11 1 1 A 22 22 ALA CB C 22 18.724 18.407 0.317 1 1 198 . 11 1 1 A 22 22 ALA N N 22 121.252 122.023 -0.771 1 1 199 . 11 1 1 A 23 23 VAL H H 23 8.086 7.540 0.546 1 1 200 . 11 1 1 A 23 23 VAL HA H 23 3.872 3.671 0.201 1 1 208 . 11 1 1 A 23 23 VAL CA C 23 64.928 65.845 -0.917 1 1 209 . 11 1 1 A 23 23 VAL CB C 23 32.451 31.834 0.617 1 1 212 . 11 1 1 A 23 23 VAL N N 23 114.516 118.502 -3.986 1 1 213 . 11 1 1 A 24 24 LEU H H 24 8.060 7.496 0.564 1 1 223 . 11 1 1 A 24 24 LEU N N 24 118.014 118.854 -0.840 1 1 224 . 11 1 1 A 25 25 GLY H H 25 7.880 7.892 -0.012 1 1 225 . 11 1 1 A 25 25 GLY HA2 H 25 3.949 4.107 -0.158 1 1 226 . 11 1 1 A 25 25 GLY HA3 H 25 3.966 4.108 -0.142 1 1 227 . 11 1 1 A 25 25 GLY CA C 25 45.959 45.568 0.391 1 1 228 . 11 1 1 A 25 25 GLY N N 25 106.969 104.705 2.264 1 1 229 . 11 1 1 A 26 26 GLY H H 26 8.123 8.185 -0.062 1 1 230 . 11 1 1 A 26 26 GLY HA2 H 26 3.912 4.133 -0.221 1 1 231 . 11 1 1 A 26 26 GLY HA3 H 26 4.002 4.134 -0.132 1 1 232 . 11 1 1 A 26 26 GLY CA C 26 45.691 45.132 0.559 1 1 233 . 11 1 1 A 26 26 GLY N N 26 108.223 108.799 -0.576 1 1 234 . 11 1 1 A 27 27 SER H H 27 8.201 8.751 -0.550 1 1 235 . 11 1 1 A 27 27 SER HA H 27 4.353 4.777 -0.424 1 1 238 . 11 1 1 A 27 27 SER CA C 27 59.117 56.856 2.261 1 1 239 . 11 1 1 A 27 27 SER CB C 27 63.770 66.481 -2.711 1 1 240 . 11 1 1 A 27 27 SER N N 27 115.317 116.909 -1.592 1 1 241 . 11 1 1 A 28 28 ARG H H 28 8.155 8.693 -0.538 1 1 242 . 11 1 1 A 28 28 ARG HA H 28 4.258 4.114 0.144 1 1 250 . 11 1 1 A 28 28 ARG CA C 28 56.348 56.776 -0.428 1 1 251 . 11 1 1 A 28 28 ARG N N 28 121.519 118.264 3.255 1 1 252 . 11 1 1 A 29 29 ASP H H 29 8.167 8.580 -0.413 1 1 255 . 11 1 1 A 29 29 ASP CB C 29 38.462 43.809 -5.347 1 1 256 . 11 1 1 A 29 29 ASP N N 29 118.393 124.712 -6.319 1 1 257 . 11 1 1 A 30 30 TYR H H 30 7.910 7.858 0.052 1 1 258 . 11 1 1 A 30 30 TYR HA H 30 4.484 4.619 -0.135 1 1 265 . 11 1 1 A 30 30 TYR CA C 30 58.097 57.684 0.413 1 1 266 . 11 1 1 A 30 30 TYR CB C 30 38.759 39.394 -0.635 1 1 267 . 11 1 1 A 30 30 TYR N N 30 119.859 115.062 4.797 1 1 268 . 11 1 1 A 31 31 ASN H H 31 8.152 8.242 -0.090 1 1 269 . 11 1 1 A 31 31 ASN HA H 31 4.658 4.408 0.250 1 1 274 . 11 1 1 A 31 31 ASN CA C 31 53.245 54.004 -0.759 1 1 275 . 11 1 1 A 31 31 ASN CB C 31 39.156 37.066 2.090 1 1 276 . 11 1 1 A 31 31 ASN N N 31 119.343 117.898 1.445 1 1 13 . 12 1 1 A 2 2 ARG H H 2 8.864 7.914 0.950 1 1 14 . 12 1 1 A 2 2 ARG HA H 2 4.393 4.004 0.389 1 1 22 . 12 1 1 A 2 2 ARG CA C 2 56.327 57.185 -0.858 1 1 23 . 12 1 1 A 2 2 ARG N N 2 124.285 118.930 5.355 1 1 24 . 12 1 1 A 3 3 SER H H 3 8.495 8.091 0.404 1 1 25 . 12 1 1 A 3 3 SER HA H 3 4.491 4.492 -0.001 1 1 28 . 12 1 1 A 3 3 SER CB C 3 64.117 64.041 0.076 1 1 29 . 12 1 1 A 3 3 SER N N 3 117.670 112.768 4.902 1 1 30 . 12 1 1 A 4 4 ARG H H 4 8.672 7.906 0.766 1 1 31 . 12 1 1 A 4 4 ARG HA H 4 4.314 4.181 0.133 1 1 39 . 12 1 1 A 4 4 ARG CA C 4 56.779 58.345 -1.566 1 1 40 . 12 1 1 A 4 4 ARG N N 4 123.739 120.969 2.770 1 1 41 . 12 1 1 A 5 5 LYS H H 5 8.328 7.743 0.585 1 1 42 . 12 1 1 A 5 5 LYS HA H 5 4.127 4.281 -0.154 1 1 49 . 12 1 1 A 5 5 LYS CA C 5 57.431 57.523 -0.092 1 1 51 . 12 1 1 A 5 5 LYS N N 5 120.706 118.086 2.620 1 1 52 . 12 1 1 A 6 6 ASN H H 6 8.115 8.275 -0.160 1 1 57 . 12 1 1 A 6 6 ASN CA C 6 53.066 54.525 -1.459 1 1 58 . 12 1 1 A 6 6 ASN CB C 6 39.187 39.159 0.028 1 1 59 . 12 1 1 A 6 6 ASN N N 6 117.807 114.535 3.272 1 1 60 . 12 1 1 A 7 7 GLY H H 7 8.499 8.044 0.455 1 1 61 . 12 1 1 A 7 7 GLY HA2 H 7 4.051 4.141 -0.090 1 1 62 . 12 1 1 A 7 7 GLY HA3 H 7 4.051 4.222 -0.171 1 1 63 . 12 1 1 A 7 7 GLY CA C 7 46.153 44.626 1.527 1 1 64 . 12 1 1 A 7 7 GLY N N 7 108.804 104.911 3.893 1 1 65 . 12 1 1 A 8 8 ILE H H 8 8.496 8.848 -0.352 1 1 75 . 12 1 1 A 8 8 ILE CB C 8 38.082 37.530 0.552 1 1 76 . 12 1 1 A 8 8 ILE N N 8 121.041 124.416 -3.375 1 1 77 . 12 1 1 A 9 9 GLY H H 9 8.656 8.175 0.481 1 1 78 . 12 1 1 A 9 9 GLY HA2 H 9 3.671 3.974 -0.303 1 1 79 . 12 1 1 A 9 9 GLY HA3 H 9 3.671 4.009 -0.338 1 1 80 . 12 1 1 A 9 9 GLY CA C 9 47.324 45.349 1.975 1 1 81 . 12 1 1 A 9 9 GLY N N 9 108.767 109.990 -1.223 1 1 82 . 12 1 1 A 10 10 TYR H H 10 7.987 8.393 -0.406 1 1 83 . 12 1 1 A 10 10 TYR HA H 10 4.269 4.377 -0.108 1 1 90 . 12 1 1 A 10 10 TYR CA C 10 60.713 60.108 0.605 1 1 91 . 12 1 1 A 10 10 TYR CB C 10 38.354 37.547 0.807 1 1 92 . 12 1 1 A 10 10 TYR N N 10 121.261 119.982 1.279 1 1 93 . 12 1 1 A 11 11 ALA H H 11 8.020 7.261 0.759 1 1 94 . 12 1 1 A 11 11 ALA HA H 11 4.040 3.687 0.353 1 1 98 . 12 1 1 A 11 11 ALA CA C 11 55.355 54.677 0.678 1 1 99 . 12 1 1 A 11 11 ALA CB C 11 18.737 18.029 0.708 1 1 100 . 12 1 1 A 11 11 ALA N N 11 122.295 122.997 -0.702 1 1 101 . 12 1 1 A 12 12 ILE H H 12 8.308 8.032 0.276 1 1 102 . 12 1 1 A 12 12 ILE HA H 12 3.732 3.898 -0.166 1 1 111 . 12 1 1 A 12 12 ILE CB C 12 37.611 37.577 0.034 1 1 112 . 12 1 1 A 12 12 ILE N N 12 116.853 118.776 -1.923 1 1 113 . 12 1 1 A 13 13 GLY H H 13 8.171 8.230 -0.059 1 1 114 . 12 1 1 A 13 13 GLY HA2 H 13 3.744 3.790 -0.046 1 1 115 . 12 1 1 A 13 13 GLY HA3 H 13 3.744 3.800 -0.056 1 1 116 . 12 1 1 A 13 13 GLY CA C 13 47.343 47.188 0.155 1 1 117 . 12 1 1 A 13 13 GLY N N 13 107.089 109.475 -2.386 1 1 118 . 12 1 1 A 14 14 TYR H H 14 8.223 8.662 -0.439 1 1 119 . 12 1 1 A 14 14 TYR HA H 14 4.147 4.141 0.006 1 1 126 . 12 1 1 A 14 14 TYR CB C 14 38.415 39.096 -0.681 1 1 127 . 12 1 1 A 14 14 TYR N N 14 122.935 123.123 -0.188 1 1 128 . 12 1 1 A 15 15 ALA H H 15 8.345 8.517 -0.172 1 1 129 . 12 1 1 A 15 15 ALA HA H 15 3.986 4.015 -0.029 1 1 133 . 12 1 1 A 15 15 ALA CA C 15 55.067 55.132 -0.065 1 1 134 . 12 1 1 A 15 15 ALA N N 15 121.882 121.732 0.150 1 1 135 . 12 1 1 A 16 16 PHE H H 16 8.668 8.626 0.042 1 1 136 . 12 1 1 A 16 16 PHE HA H 16 4.138 4.254 -0.116 1 1 143 . 12 1 1 A 16 16 PHE CA C 16 61.116 60.945 0.171 1 1 144 . 12 1 1 A 16 16 PHE CB C 16 38.857 39.251 -0.394 1 1 145 . 12 1 1 A 16 16 PHE N N 16 116.563 119.426 -2.863 1 1 146 . 12 1 1 A 17 17 GLY H H 17 8.163 8.952 -0.789 1 1 147 . 12 1 1 A 17 17 GLY HA2 H 17 3.891 3.750 0.141 1 1 148 . 12 1 1 A 17 17 GLY HA3 H 17 3.891 3.829 0.062 1 1 149 . 12 1 1 A 17 17 GLY N N 17 105.893 106.758 -0.865 1 1 150 . 12 1 1 A 18 18 ALA H H 18 7.842 7.725 0.117 1 1 151 . 12 1 1 A 18 18 ALA HA H 18 4.035 3.908 0.127 1 1 155 . 12 1 1 A 18 18 ALA CA C 18 55.037 54.661 0.376 1 1 156 . 12 1 1 A 18 18 ALA CB C 18 18.223 18.714 -0.491 1 1 157 . 12 1 1 A 18 18 ALA N N 18 122.050 124.545 -2.495 1 1 158 . 12 1 1 A 19 19 VAL H H 19 8.010 7.677 0.333 1 1 159 . 12 1 1 A 19 19 VAL HA H 19 3.549 3.751 -0.202 1 1 167 . 12 1 1 A 19 19 VAL CA C 19 66.571 65.076 1.495 1 1 168 . 12 1 1 A 19 19 VAL CB C 19 31.436 31.551 -0.115 1 1 171 . 12 1 1 A 19 19 VAL N N 19 118.184 116.566 1.618 1 1 172 . 12 1 1 A 20 20 GLU H H 20 8.339 8.544 -0.205 1 1 173 . 12 1 1 A 20 20 GLU HA H 20 3.666 4.000 -0.334 1 1 178 . 12 1 1 A 20 20 GLU CA C 20 60.103 59.403 0.700 1 1 180 . 12 1 1 A 20 20 GLU N N 20 118.704 120.622 -1.918 1 1 181 . 12 1 1 A 21 21 ARG H H 21 7.939 8.539 -0.600 1 1 182 . 12 1 1 A 21 21 ARG HA H 21 3.935 3.978 -0.043 1 1 190 . 12 1 1 A 21 21 ARG N N 21 116.955 120.823 -3.868 1 1 191 . 12 1 1 A 22 22 ALA H H 22 7.784 7.752 0.032 1 1 192 . 12 1 1 A 22 22 ALA HA H 22 4.166 4.076 0.090 1 1 196 . 12 1 1 A 22 22 ALA CA C 22 54.645 55.204 -0.559 1 1 197 . 12 1 1 A 22 22 ALA CB C 22 18.724 18.529 0.195 1 1 198 . 12 1 1 A 22 22 ALA N N 22 121.252 122.012 -0.760 1 1 199 . 12 1 1 A 23 23 VAL H H 23 8.086 7.555 0.531 1 1 200 . 12 1 1 A 23 23 VAL HA H 23 3.872 3.664 0.208 1 1 208 . 12 1 1 A 23 23 VAL CA C 23 64.928 65.888 -0.960 1 1 209 . 12 1 1 A 23 23 VAL CB C 23 32.451 31.825 0.626 1 1 212 . 12 1 1 A 23 23 VAL N N 23 114.516 118.544 -4.028 1 1 213 . 12 1 1 A 24 24 LEU H H 24 8.060 7.658 0.402 1 1 223 . 12 1 1 A 24 24 LEU N N 24 118.014 120.912 -2.898 1 1 224 . 12 1 1 A 25 25 GLY H H 25 7.880 8.019 -0.139 1 1 225 . 12 1 1 A 25 25 GLY HA2 H 25 3.949 3.762 0.187 1 1 226 . 12 1 1 A 25 25 GLY HA3 H 25 3.966 3.763 0.203 1 1 227 . 12 1 1 A 25 25 GLY CA C 25 45.959 46.128 -0.169 1 1 228 . 12 1 1 A 25 25 GLY N N 25 106.969 106.336 0.633 1 1 229 . 12 1 1 A 26 26 GLY H H 26 8.123 7.613 0.510 1 1 230 . 12 1 1 A 26 26 GLY HA2 H 26 3.912 4.257 -0.345 1 1 231 . 12 1 1 A 26 26 GLY HA3 H 26 4.002 4.258 -0.256 1 1 232 . 12 1 1 A 26 26 GLY CA C 26 45.691 46.143 -0.452 1 1 233 . 12 1 1 A 26 26 GLY N N 26 108.223 107.347 0.876 1 1 234 . 12 1 1 A 27 27 SER H H 27 8.201 8.156 0.045 1 1 235 . 12 1 1 A 27 27 SER HA H 27 4.353 4.593 -0.240 1 1 238 . 12 1 1 A 27 27 SER CA C 27 59.117 55.794 3.323 1 1 239 . 12 1 1 A 27 27 SER CB C 27 63.770 66.031 -2.261 1 1 240 . 12 1 1 A 27 27 SER N N 27 115.317 114.097 1.220 1 1 241 . 12 1 1 A 28 28 ARG H H 28 8.155 8.878 -0.723 1 1 242 . 12 1 1 A 28 28 ARG HA H 28 4.258 4.064 0.194 1 1 250 . 12 1 1 A 28 28 ARG CA C 28 56.348 58.256 -1.908 1 1 251 . 12 1 1 A 28 28 ARG N N 28 121.519 120.961 0.558 1 1 252 . 12 1 1 A 29 29 ASP H H 29 8.167 8.953 -0.786 1 1 255 . 12 1 1 A 29 29 ASP CB C 29 38.462 43.763 -5.301 1 1 256 . 12 1 1 A 29 29 ASP N N 29 118.393 120.670 -2.277 1 1 257 . 12 1 1 A 30 30 TYR H H 30 7.910 7.829 0.081 1 1 258 . 12 1 1 A 30 30 TYR HA H 30 4.484 4.793 -0.309 1 1 265 . 12 1 1 A 30 30 TYR CA C 30 58.097 56.941 1.156 1 1 266 . 12 1 1 A 30 30 TYR CB C 30 38.759 41.856 -3.097 1 1 267 . 12 1 1 A 30 30 TYR N N 30 119.859 116.582 3.277 1 1 268 . 12 1 1 A 31 31 ASN H H 31 8.152 8.000 0.152 1 1 269 . 12 1 1 A 31 31 ASN HA H 31 4.658 4.531 0.127 1 1 274 . 12 1 1 A 31 31 ASN CA C 31 53.245 51.917 1.328 1 1 275 . 12 1 1 A 31 31 ASN CB C 31 39.156 38.285 0.871 1 1 276 . 12 1 1 A 31 31 ASN N N 31 119.343 120.629 -1.286 1 1 13 . 13 1 1 A 2 2 ARG H H 2 8.864 9.272 -0.408 1 1 14 . 13 1 1 A 2 2 ARG HA H 2 4.393 3.942 0.451 1 1 22 . 13 1 1 A 2 2 ARG CA C 2 56.327 56.888 -0.561 1 1 23 . 13 1 1 A 2 2 ARG N N 2 124.285 123.244 1.041 1 1 24 . 13 1 1 A 3 3 SER H H 3 8.495 8.386 0.109 1 1 25 . 13 1 1 A 3 3 SER HA H 3 4.491 4.200 0.291 1 1 28 . 13 1 1 A 3 3 SER CB C 3 64.117 63.121 0.996 1 1 29 . 13 1 1 A 3 3 SER N N 3 117.670 119.823 -2.153 1 1 30 . 13 1 1 A 4 4 ARG H H 4 8.672 7.816 0.856 1 1 31 . 13 1 1 A 4 4 ARG HA H 4 4.314 4.320 -0.006 1 1 39 . 13 1 1 A 4 4 ARG CA C 4 56.779 57.046 -0.267 1 1 40 . 13 1 1 A 4 4 ARG N N 4 123.739 120.776 2.963 1 1 41 . 13 1 1 A 5 5 LYS H H 5 8.328 8.223 0.105 1 1 42 . 13 1 1 A 5 5 LYS HA H 5 4.127 4.067 0.060 1 1 49 . 13 1 1 A 5 5 LYS CA C 5 57.431 59.291 -1.860 1 1 51 . 13 1 1 A 5 5 LYS N N 5 120.706 118.442 2.264 1 1 52 . 13 1 1 A 6 6 ASN H H 6 8.115 8.006 0.109 1 1 57 . 13 1 1 A 6 6 ASN CA C 6 53.066 55.739 -2.673 1 1 58 . 13 1 1 A 6 6 ASN CB C 6 39.187 38.708 0.479 1 1 59 . 13 1 1 A 6 6 ASN N N 6 117.807 116.755 1.052 1 1 60 . 13 1 1 A 7 7 GLY H H 7 8.499 8.004 0.495 1 1 61 . 13 1 1 A 7 7 GLY HA2 H 7 4.051 4.091 -0.040 1 1 62 . 13 1 1 A 7 7 GLY HA3 H 7 4.051 4.171 -0.120 1 1 63 . 13 1 1 A 7 7 GLY CA C 7 46.153 44.763 1.390 1 1 64 . 13 1 1 A 7 7 GLY N N 7 108.804 105.425 3.379 1 1 65 . 13 1 1 A 8 8 ILE H H 8 8.496 8.776 -0.280 1 1 75 . 13 1 1 A 8 8 ILE CB C 8 38.082 37.525 0.557 1 1 76 . 13 1 1 A 8 8 ILE N N 8 121.041 124.208 -3.167 1 1 77 . 13 1 1 A 9 9 GLY H H 9 8.656 8.183 0.473 1 1 78 . 13 1 1 A 9 9 GLY HA2 H 9 3.671 3.978 -0.307 1 1 79 . 13 1 1 A 9 9 GLY HA3 H 9 3.671 4.011 -0.340 1 1 80 . 13 1 1 A 9 9 GLY CA C 9 47.324 45.401 1.923 1 1 81 . 13 1 1 A 9 9 GLY N N 9 108.767 109.959 -1.192 1 1 82 . 13 1 1 A 10 10 TYR H H 10 7.987 8.452 -0.465 1 1 83 . 13 1 1 A 10 10 TYR HA H 10 4.269 4.364 -0.095 1 1 90 . 13 1 1 A 10 10 TYR CA C 10 60.713 60.093 0.620 1 1 91 . 13 1 1 A 10 10 TYR CB C 10 38.354 37.549 0.805 1 1 92 . 13 1 1 A 10 10 TYR N N 10 121.261 119.989 1.272 1 1 93 . 13 1 1 A 11 11 ALA H H 11 8.020 7.369 0.651 1 1 94 . 13 1 1 A 11 11 ALA HA H 11 4.040 3.704 0.336 1 1 98 . 13 1 1 A 11 11 ALA CA C 11 55.355 54.720 0.635 1 1 99 . 13 1 1 A 11 11 ALA CB C 11 18.737 18.035 0.702 1 1 100 . 13 1 1 A 11 11 ALA N N 11 122.295 122.975 -0.680 1 1 101 . 13 1 1 A 12 12 ILE H H 12 8.308 8.065 0.243 1 1 102 . 13 1 1 A 12 12 ILE HA H 12 3.732 3.888 -0.156 1 1 111 . 13 1 1 A 12 12 ILE CB C 12 37.611 37.640 -0.029 1 1 112 . 13 1 1 A 12 12 ILE N N 12 116.853 118.626 -1.773 1 1 113 . 13 1 1 A 13 13 GLY H H 13 8.171 8.249 -0.078 1 1 114 . 13 1 1 A 13 13 GLY HA2 H 13 3.744 3.790 -0.046 1 1 115 . 13 1 1 A 13 13 GLY HA3 H 13 3.744 3.804 -0.060 1 1 116 . 13 1 1 A 13 13 GLY CA C 13 47.343 47.172 0.171 1 1 117 . 13 1 1 A 13 13 GLY N N 13 107.089 109.479 -2.390 1 1 118 . 13 1 1 A 14 14 TYR H H 14 8.223 8.649 -0.426 1 1 119 . 13 1 1 A 14 14 TYR HA H 14 4.147 4.159 -0.012 1 1 126 . 13 1 1 A 14 14 TYR CB C 14 38.415 38.742 -0.327 1 1 127 . 13 1 1 A 14 14 TYR N N 14 122.935 123.109 -0.174 1 1 128 . 13 1 1 A 15 15 ALA H H 15 8.345 8.153 0.192 1 1 129 . 13 1 1 A 15 15 ALA HA H 15 3.986 3.807 0.179 1 1 133 . 13 1 1 A 15 15 ALA CA C 15 55.067 54.974 0.093 1 1 134 . 13 1 1 A 15 15 ALA N N 15 121.882 121.646 0.236 1 1 135 . 13 1 1 A 16 16 PHE H H 16 8.668 8.550 0.118 1 1 136 . 13 1 1 A 16 16 PHE HA H 16 4.138 4.241 -0.103 1 1 143 . 13 1 1 A 16 16 PHE CA C 16 61.116 60.946 0.170 1 1 144 . 13 1 1 A 16 16 PHE CB C 16 38.857 39.184 -0.327 1 1 145 . 13 1 1 A 16 16 PHE N N 16 116.563 119.383 -2.820 1 1 146 . 13 1 1 A 17 17 GLY H H 17 8.163 9.026 -0.863 1 1 147 . 13 1 1 A 17 17 GLY HA2 H 17 3.891 3.854 0.037 1 1 148 . 13 1 1 A 17 17 GLY HA3 H 17 3.891 3.880 0.011 1 1 149 . 13 1 1 A 17 17 GLY N N 17 105.893 106.833 -0.940 1 1 150 . 13 1 1 A 18 18 ALA H H 18 7.842 7.761 0.081 1 1 151 . 13 1 1 A 18 18 ALA HA H 18 4.035 3.929 0.106 1 1 155 . 13 1 1 A 18 18 ALA CA C 18 55.037 54.676 0.361 1 1 156 . 13 1 1 A 18 18 ALA CB C 18 18.223 18.739 -0.516 1 1 157 . 13 1 1 A 18 18 ALA N N 18 122.050 124.519 -2.469 1 1 158 . 13 1 1 A 19 19 VAL H H 19 8.010 7.632 0.378 1 1 159 . 13 1 1 A 19 19 VAL HA H 19 3.549 3.745 -0.196 1 1 167 . 13 1 1 A 19 19 VAL CA C 19 66.571 65.091 1.480 1 1 168 . 13 1 1 A 19 19 VAL CB C 19 31.436 31.494 -0.058 1 1 171 . 13 1 1 A 19 19 VAL N N 19 118.184 116.326 1.858 1 1 172 . 13 1 1 A 20 20 GLU H H 20 8.339 8.527 -0.188 1 1 173 . 13 1 1 A 20 20 GLU HA H 20 3.666 4.032 -0.366 1 1 178 . 13 1 1 A 20 20 GLU CA C 20 60.103 59.414 0.689 1 1 180 . 13 1 1 A 20 20 GLU N N 20 118.704 120.315 -1.611 1 1 181 . 13 1 1 A 21 21 ARG H H 21 7.939 8.392 -0.453 1 1 182 . 13 1 1 A 21 21 ARG HA H 21 3.935 4.024 -0.089 1 1 190 . 13 1 1 A 21 21 ARG N N 21 116.955 120.911 -3.956 1 1 191 . 13 1 1 A 22 22 ALA H H 22 7.784 7.865 -0.081 1 1 192 . 13 1 1 A 22 22 ALA HA H 22 4.166 4.026 0.140 1 1 196 . 13 1 1 A 22 22 ALA CA C 22 54.645 55.208 -0.563 1 1 197 . 13 1 1 A 22 22 ALA CB C 22 18.724 18.178 0.546 1 1 198 . 13 1 1 A 22 22 ALA N N 22 121.252 122.172 -0.920 1 1 199 . 13 1 1 A 23 23 VAL H H 23 8.086 7.626 0.460 1 1 200 . 13 1 1 A 23 23 VAL HA H 23 3.872 3.778 0.094 1 1 208 . 13 1 1 A 23 23 VAL CA C 23 64.928 65.808 -0.880 1 1 209 . 13 1 1 A 23 23 VAL CB C 23 32.451 31.683 0.768 1 1 212 . 13 1 1 A 23 23 VAL N N 23 114.516 118.247 -3.731 1 1 213 . 13 1 1 A 24 24 LEU H H 24 8.060 7.759 0.301 1 1 223 . 13 1 1 A 24 24 LEU N N 24 118.014 118.220 -0.206 1 1 224 . 13 1 1 A 25 25 GLY H H 25 7.880 7.703 0.177 1 1 225 . 13 1 1 A 25 25 GLY HA2 H 25 3.949 4.201 -0.252 1 1 226 . 13 1 1 A 25 25 GLY HA3 H 25 3.966 4.202 -0.236 1 1 227 . 13 1 1 A 25 25 GLY CA C 25 45.959 45.898 0.061 1 1 228 . 13 1 1 A 25 25 GLY N N 25 106.969 106.886 0.083 1 1 229 . 13 1 1 A 26 26 GLY H H 26 8.123 8.469 -0.346 1 1 230 . 13 1 1 A 26 26 GLY HA2 H 26 3.912 4.113 -0.201 1 1 231 . 13 1 1 A 26 26 GLY HA3 H 26 4.002 4.116 -0.114 1 1 232 . 13 1 1 A 26 26 GLY CA C 26 45.691 44.783 0.908 1 1 233 . 13 1 1 A 26 26 GLY N N 26 108.223 108.562 -0.339 1 1 234 . 13 1 1 A 27 27 SER H H 27 8.201 8.538 -0.337 1 1 235 . 13 1 1 A 27 27 SER HA H 27 4.353 4.681 -0.328 1 1 238 . 13 1 1 A 27 27 SER CA C 27 59.117 56.992 2.125 1 1 239 . 13 1 1 A 27 27 SER CB C 27 63.770 66.210 -2.440 1 1 240 . 13 1 1 A 27 27 SER N N 27 115.317 119.675 -4.358 1 1 241 . 13 1 1 A 28 28 ARG H H 28 8.155 8.297 -0.142 1 1 242 . 13 1 1 A 28 28 ARG HA H 28 4.258 3.724 0.534 1 1 250 . 13 1 1 A 28 28 ARG CA C 28 56.348 56.757 -0.409 1 1 251 . 13 1 1 A 28 28 ARG N N 28 121.519 118.540 2.979 1 1 252 . 13 1 1 A 29 29 ASP H H 29 8.167 7.717 0.450 1 1 255 . 13 1 1 A 29 29 ASP CB C 29 38.462 42.424 -3.962 1 1 256 . 13 1 1 A 29 29 ASP N N 29 118.393 116.652 1.741 1 1 257 . 13 1 1 A 30 30 TYR H H 30 7.910 7.699 0.211 1 1 258 . 13 1 1 A 30 30 TYR HA H 30 4.484 4.141 0.343 1 1 265 . 13 1 1 A 30 30 TYR CA C 30 58.097 58.655 -0.558 1 1 266 . 13 1 1 A 30 30 TYR CB C 30 38.759 35.475 3.284 1 1 267 . 13 1 1 A 30 30 TYR N N 30 119.859 115.657 4.202 1 1 268 . 13 1 1 A 31 31 ASN H H 31 8.152 7.859 0.293 1 1 269 . 13 1 1 A 31 31 ASN HA H 31 4.658 4.762 -0.104 1 1 274 . 13 1 1 A 31 31 ASN CA C 31 53.245 52.029 1.216 1 1 275 . 13 1 1 A 31 31 ASN CB C 31 39.156 37.456 1.700 1 1 276 . 13 1 1 A 31 31 ASN N N 31 119.343 118.339 1.004 1 1 13 . 14 1 1 A 2 2 ARG H H 2 8.864 8.537 0.327 1 1 14 . 14 1 1 A 2 2 ARG HA H 2 4.393 4.523 -0.130 1 1 22 . 14 1 1 A 2 2 ARG CA C 2 56.327 55.115 1.212 1 1 23 . 14 1 1 A 2 2 ARG N N 2 124.285 126.015 -1.730 1 1 24 . 14 1 1 A 3 3 SER H H 3 8.495 8.289 0.206 1 1 25 . 14 1 1 A 3 3 SER HA H 3 4.491 4.174 0.317 1 1 28 . 14 1 1 A 3 3 SER CB C 3 64.117 61.029 3.088 1 1 29 . 14 1 1 A 3 3 SER N N 3 117.670 109.985 7.685 1 1 30 . 14 1 1 A 4 4 ARG H H 4 8.672 7.879 0.793 1 1 31 . 14 1 1 A 4 4 ARG HA H 4 4.314 4.211 0.103 1 1 39 . 14 1 1 A 4 4 ARG CA C 4 56.779 58.111 -1.332 1 1 40 . 14 1 1 A 4 4 ARG N N 4 123.739 120.037 3.702 1 1 41 . 14 1 1 A 5 5 LYS H H 5 8.328 7.880 0.448 1 1 42 . 14 1 1 A 5 5 LYS HA H 5 4.127 4.187 -0.060 1 1 49 . 14 1 1 A 5 5 LYS CA C 5 57.431 58.834 -1.403 1 1 51 . 14 1 1 A 5 5 LYS N N 5 120.706 118.710 1.996 1 1 52 . 14 1 1 A 6 6 ASN H H 6 8.115 7.972 0.143 1 1 57 . 14 1 1 A 6 6 ASN CA C 6 53.066 55.225 -2.159 1 1 58 . 14 1 1 A 6 6 ASN CB C 6 39.187 38.476 0.711 1 1 59 . 14 1 1 A 6 6 ASN N N 6 117.807 115.703 2.104 1 1 60 . 14 1 1 A 7 7 GLY H H 7 8.499 8.208 0.291 1 1 61 . 14 1 1 A 7 7 GLY HA2 H 7 4.051 4.127 -0.076 1 1 62 . 14 1 1 A 7 7 GLY HA3 H 7 4.051 4.300 -0.249 1 1 63 . 14 1 1 A 7 7 GLY CA C 7 46.153 45.652 0.501 1 1 64 . 14 1 1 A 7 7 GLY N N 7 108.804 106.748 2.056 1 1 65 . 14 1 1 A 8 8 ILE H H 8 8.496 8.057 0.439 1 1 75 . 14 1 1 A 8 8 ILE CB C 8 38.082 39.380 -1.298 1 1 76 . 14 1 1 A 8 8 ILE N N 8 121.041 121.630 -0.589 1 1 77 . 14 1 1 A 9 9 GLY H H 9 8.656 8.504 0.152 1 1 78 . 14 1 1 A 9 9 GLY HA2 H 9 3.671 3.735 -0.064 1 1 79 . 14 1 1 A 9 9 GLY HA3 H 9 3.671 3.763 -0.092 1 1 80 . 14 1 1 A 9 9 GLY CA C 9 47.324 47.182 0.142 1 1 81 . 14 1 1 A 9 9 GLY N N 9 108.767 109.448 -0.681 1 1 82 . 14 1 1 A 10 10 TYR H H 10 7.987 8.192 -0.205 1 1 83 . 14 1 1 A 10 10 TYR HA H 10 4.269 4.413 -0.144 1 1 90 . 14 1 1 A 10 10 TYR CA C 10 60.713 60.067 0.646 1 1 91 . 14 1 1 A 10 10 TYR CB C 10 38.354 37.597 0.757 1 1 92 . 14 1 1 A 10 10 TYR N N 10 121.261 120.105 1.156 1 1 93 . 14 1 1 A 11 11 ALA H H 11 8.020 7.539 0.481 1 1 94 . 14 1 1 A 11 11 ALA HA H 11 4.040 3.618 0.422 1 1 98 . 14 1 1 A 11 11 ALA CA C 11 55.355 54.646 0.709 1 1 99 . 14 1 1 A 11 11 ALA CB C 11 18.737 18.213 0.524 1 1 100 . 14 1 1 A 11 11 ALA N N 11 122.295 123.363 -1.068 1 1 101 . 14 1 1 A 12 12 ILE H H 12 8.308 7.696 0.612 1 1 102 . 14 1 1 A 12 12 ILE HA H 12 3.732 3.906 -0.174 1 1 111 . 14 1 1 A 12 12 ILE CB C 12 37.611 37.665 -0.054 1 1 112 . 14 1 1 A 12 12 ILE N N 12 116.853 118.641 -1.788 1 1 113 . 14 1 1 A 13 13 GLY H H 13 8.171 8.175 -0.004 1 1 114 . 14 1 1 A 13 13 GLY HA2 H 13 3.744 3.794 -0.050 1 1 115 . 14 1 1 A 13 13 GLY HA3 H 13 3.744 3.808 -0.064 1 1 116 . 14 1 1 A 13 13 GLY CA C 13 47.343 47.312 0.031 1 1 117 . 14 1 1 A 13 13 GLY N N 13 107.089 109.405 -2.316 1 1 118 . 14 1 1 A 14 14 TYR H H 14 8.223 8.465 -0.242 1 1 119 . 14 1 1 A 14 14 TYR HA H 14 4.147 4.134 0.013 1 1 126 . 14 1 1 A 14 14 TYR CB C 14 38.415 39.054 -0.639 1 1 127 . 14 1 1 A 14 14 TYR N N 14 122.935 123.120 -0.185 1 1 128 . 14 1 1 A 15 15 ALA H H 15 8.345 8.474 -0.129 1 1 129 . 14 1 1 A 15 15 ALA HA H 15 3.986 3.793 0.193 1 1 133 . 14 1 1 A 15 15 ALA CA C 15 55.067 55.061 0.006 1 1 134 . 14 1 1 A 15 15 ALA N N 15 121.882 121.274 0.608 1 1 135 . 14 1 1 A 16 16 PHE H H 16 8.668 8.494 0.174 1 1 136 . 14 1 1 A 16 16 PHE HA H 16 4.138 4.267 -0.129 1 1 143 . 14 1 1 A 16 16 PHE CA C 16 61.116 60.870 0.246 1 1 144 . 14 1 1 A 16 16 PHE CB C 16 38.857 39.191 -0.334 1 1 145 . 14 1 1 A 16 16 PHE N N 16 116.563 119.416 -2.853 1 1 146 . 14 1 1 A 17 17 GLY H H 17 8.163 9.086 -0.923 1 1 147 . 14 1 1 A 17 17 GLY HA2 H 17 3.891 3.896 -0.005 1 1 148 . 14 1 1 A 17 17 GLY HA3 H 17 3.891 3.914 -0.023 1 1 149 . 14 1 1 A 17 17 GLY N N 17 105.893 106.846 -0.953 1 1 150 . 14 1 1 A 18 18 ALA H H 18 7.842 7.819 0.023 1 1 151 . 14 1 1 A 18 18 ALA HA H 18 4.035 3.926 0.109 1 1 155 . 14 1 1 A 18 18 ALA CA C 18 55.037 54.637 0.400 1 1 156 . 14 1 1 A 18 18 ALA CB C 18 18.223 18.527 -0.304 1 1 157 . 14 1 1 A 18 18 ALA N N 18 122.050 124.215 -2.165 1 1 158 . 14 1 1 A 19 19 VAL H H 19 8.010 7.591 0.419 1 1 159 . 14 1 1 A 19 19 VAL HA H 19 3.549 3.737 -0.188 1 1 167 . 14 1 1 A 19 19 VAL CA C 19 66.571 65.065 1.506 1 1 168 . 14 1 1 A 19 19 VAL CB C 19 31.436 31.504 -0.068 1 1 171 . 14 1 1 A 19 19 VAL N N 19 118.184 116.314 1.870 1 1 172 . 14 1 1 A 20 20 GLU H H 20 8.339 8.554 -0.215 1 1 173 . 14 1 1 A 20 20 GLU HA H 20 3.666 4.036 -0.370 1 1 178 . 14 1 1 A 20 20 GLU CA C 20 60.103 59.420 0.683 1 1 180 . 14 1 1 A 20 20 GLU N N 20 118.704 120.624 -1.920 1 1 181 . 14 1 1 A 21 21 ARG H H 21 7.939 8.330 -0.391 1 1 182 . 14 1 1 A 21 21 ARG HA H 21 3.935 3.997 -0.062 1 1 190 . 14 1 1 A 21 21 ARG N N 21 116.955 120.828 -3.873 1 1 191 . 14 1 1 A 22 22 ALA H H 22 7.784 7.831 -0.047 1 1 192 . 14 1 1 A 22 22 ALA HA H 22 4.166 4.081 0.085 1 1 196 . 14 1 1 A 22 22 ALA CA C 22 54.645 54.837 -0.192 1 1 197 . 14 1 1 A 22 22 ALA CB C 22 18.724 18.391 0.333 1 1 198 . 14 1 1 A 22 22 ALA N N 22 121.252 121.851 -0.599 1 1 199 . 14 1 1 A 23 23 VAL H H 23 8.086 7.848 0.238 1 1 200 . 14 1 1 A 23 23 VAL HA H 23 3.872 3.728 0.144 1 1 208 . 14 1 1 A 23 23 VAL CA C 23 64.928 65.984 -1.056 1 1 209 . 14 1 1 A 23 23 VAL CB C 23 32.451 31.595 0.856 1 1 212 . 14 1 1 A 23 23 VAL N N 23 114.516 118.502 -3.986 1 1 213 . 14 1 1 A 24 24 LEU H H 24 8.060 7.654 0.406 1 1 223 . 14 1 1 A 24 24 LEU N N 24 118.014 118.331 -0.317 1 1 224 . 14 1 1 A 25 25 GLY H H 25 7.880 8.451 -0.571 1 1 225 . 14 1 1 A 25 25 GLY HA2 H 25 3.949 4.021 -0.072 1 1 226 . 14 1 1 A 25 25 GLY HA3 H 25 3.966 4.022 -0.056 1 1 227 . 14 1 1 A 25 25 GLY CA C 25 45.959 45.638 0.321 1 1 228 . 14 1 1 A 25 25 GLY N N 25 106.969 106.845 0.124 1 1 229 . 14 1 1 A 26 26 GLY H H 26 8.123 8.168 -0.045 1 1 230 . 14 1 1 A 26 26 GLY HA2 H 26 3.912 4.149 -0.237 1 1 231 . 14 1 1 A 26 26 GLY HA3 H 26 4.002 4.149 -0.147 1 1 232 . 14 1 1 A 26 26 GLY CA C 26 45.691 45.492 0.199 1 1 233 . 14 1 1 A 26 26 GLY N N 26 108.223 110.571 -2.348 1 1 234 . 14 1 1 A 27 27 SER H H 27 8.201 8.823 -0.622 1 1 235 . 14 1 1 A 27 27 SER HA H 27 4.353 4.843 -0.490 1 1 238 . 14 1 1 A 27 27 SER CA C 27 59.117 57.103 2.014 1 1 239 . 14 1 1 A 27 27 SER CB C 27 63.770 66.531 -2.761 1 1 240 . 14 1 1 A 27 27 SER N N 27 115.317 120.367 -5.050 1 1 241 . 14 1 1 A 28 28 ARG H H 28 8.155 8.823 -0.668 1 1 242 . 14 1 1 A 28 28 ARG HA H 28 4.258 4.093 0.165 1 1 250 . 14 1 1 A 28 28 ARG CA C 28 56.348 58.281 -1.933 1 1 251 . 14 1 1 A 28 28 ARG N N 28 121.519 118.891 2.628 1 1 252 . 14 1 1 A 29 29 ASP H H 29 8.167 8.803 -0.636 1 1 255 . 14 1 1 A 29 29 ASP CB C 29 38.462 42.634 -4.172 1 1 256 . 14 1 1 A 29 29 ASP N N 29 118.393 121.610 -3.217 1 1 257 . 14 1 1 A 30 30 TYR H H 30 7.910 8.262 -0.352 1 1 258 . 14 1 1 A 30 30 TYR HA H 30 4.484 4.998 -0.514 1 1 265 . 14 1 1 A 30 30 TYR CA C 30 58.097 57.320 0.777 1 1 266 . 14 1 1 A 30 30 TYR CB C 30 38.759 41.437 -2.678 1 1 267 . 14 1 1 A 30 30 TYR N N 30 119.859 117.662 2.197 1 1 268 . 14 1 1 A 31 31 ASN H H 31 8.152 8.370 -0.218 1 1 269 . 14 1 1 A 31 31 ASN HA H 31 4.658 4.645 0.013 1 1 274 . 14 1 1 A 31 31 ASN CA C 31 53.245 52.405 0.840 1 1 275 . 14 1 1 A 31 31 ASN CB C 31 39.156 39.643 -0.487 1 1 276 . 14 1 1 A 31 31 ASN N N 31 119.343 125.384 -6.041 1 1 13 . 15 1 1 A 2 2 ARG H H 2 8.864 8.680 0.184 1 1 14 . 15 1 1 A 2 2 ARG HA H 2 4.393 4.669 -0.276 1 1 22 . 15 1 1 A 2 2 ARG CA C 2 56.327 56.211 0.116 1 1 23 . 15 1 1 A 2 2 ARG N N 2 124.285 124.009 0.276 1 1 24 . 15 1 1 A 3 3 SER H H 3 8.495 8.998 -0.503 1 1 25 . 15 1 1 A 3 3 SER HA H 3 4.491 4.571 -0.080 1 1 28 . 15 1 1 A 3 3 SER CB C 3 64.117 65.849 -1.732 1 1 29 . 15 1 1 A 3 3 SER N N 3 117.670 121.598 -3.928 1 1 30 . 15 1 1 A 4 4 ARG H H 4 8.672 7.828 0.844 1 1 31 . 15 1 1 A 4 4 ARG HA H 4 4.314 4.097 0.217 1 1 39 . 15 1 1 A 4 4 ARG CA C 4 56.779 58.983 -2.204 1 1 40 . 15 1 1 A 4 4 ARG N N 4 123.739 121.239 2.500 1 1 41 . 15 1 1 A 5 5 LYS H H 5 8.328 8.138 0.190 1 1 42 . 15 1 1 A 5 5 LYS HA H 5 4.127 4.078 0.049 1 1 49 . 15 1 1 A 5 5 LYS CA C 5 57.431 59.371 -1.940 1 1 51 . 15 1 1 A 5 5 LYS N N 5 120.706 118.966 1.740 1 1 52 . 15 1 1 A 6 6 ASN H H 6 8.115 8.044 0.071 1 1 57 . 15 1 1 A 6 6 ASN CA C 6 53.066 55.178 -2.112 1 1 58 . 15 1 1 A 6 6 ASN CB C 6 39.187 38.802 0.385 1 1 59 . 15 1 1 A 6 6 ASN N N 6 117.807 115.411 2.396 1 1 60 . 15 1 1 A 7 7 GLY H H 7 8.499 7.997 0.502 1 1 61 . 15 1 1 A 7 7 GLY HA2 H 7 4.051 4.161 -0.110 1 1 62 . 15 1 1 A 7 7 GLY HA3 H 7 4.051 4.241 -0.190 1 1 63 . 15 1 1 A 7 7 GLY CA C 7 46.153 44.570 1.583 1 1 64 . 15 1 1 A 7 7 GLY N N 7 108.804 104.717 4.087 1 1 65 . 15 1 1 A 8 8 ILE H H 8 8.496 8.856 -0.360 1 1 75 . 15 1 1 A 8 8 ILE CB C 8 38.082 37.524 0.558 1 1 76 . 15 1 1 A 8 8 ILE N N 8 121.041 124.421 -3.380 1 1 77 . 15 1 1 A 9 9 GLY H H 9 8.656 8.182 0.474 1 1 78 . 15 1 1 A 9 9 GLY HA2 H 9 3.671 3.977 -0.306 1 1 79 . 15 1 1 A 9 9 GLY HA3 H 9 3.671 4.010 -0.339 1 1 80 . 15 1 1 A 9 9 GLY CA C 9 47.324 45.439 1.885 1 1 81 . 15 1 1 A 9 9 GLY N N 9 108.767 109.966 -1.199 1 1 82 . 15 1 1 A 10 10 TYR H H 10 7.987 8.473 -0.486 1 1 83 . 15 1 1 A 10 10 TYR HA H 10 4.269 4.364 -0.095 1 1 90 . 15 1 1 A 10 10 TYR CA C 10 60.713 60.087 0.626 1 1 91 . 15 1 1 A 10 10 TYR CB C 10 38.354 37.573 0.781 1 1 92 . 15 1 1 A 10 10 TYR N N 10 121.261 120.076 1.185 1 1 93 . 15 1 1 A 11 11 ALA H H 11 8.020 7.359 0.661 1 1 94 . 15 1 1 A 11 11 ALA HA H 11 4.040 3.721 0.319 1 1 98 . 15 1 1 A 11 11 ALA CA C 11 55.355 54.737 0.618 1 1 99 . 15 1 1 A 11 11 ALA CB C 11 18.737 18.051 0.686 1 1 100 . 15 1 1 A 11 11 ALA N N 11 122.295 122.987 -0.692 1 1 101 . 15 1 1 A 12 12 ILE H H 12 8.308 8.049 0.259 1 1 102 . 15 1 1 A 12 12 ILE HA H 12 3.732 3.898 -0.166 1 1 111 . 15 1 1 A 12 12 ILE CB C 12 37.611 37.651 -0.040 1 1 112 . 15 1 1 A 12 12 ILE N N 12 116.853 118.637 -1.784 1 1 113 . 15 1 1 A 13 13 GLY H H 13 8.171 8.138 0.033 1 1 114 . 15 1 1 A 13 13 GLY HA2 H 13 3.744 3.790 -0.046 1 1 115 . 15 1 1 A 13 13 GLY HA3 H 13 3.744 3.807 -0.063 1 1 116 . 15 1 1 A 13 13 GLY CA C 13 47.343 47.313 0.030 1 1 117 . 15 1 1 A 13 13 GLY N N 13 107.089 109.416 -2.327 1 1 118 . 15 1 1 A 14 14 TYR H H 14 8.223 8.627 -0.404 1 1 119 . 15 1 1 A 14 14 TYR HA H 14 4.147 4.134 0.013 1 1 126 . 15 1 1 A 14 14 TYR CB C 14 38.415 39.057 -0.642 1 1 127 . 15 1 1 A 14 14 TYR N N 14 122.935 123.130 -0.195 1 1 128 . 15 1 1 A 15 15 ALA H H 15 8.345 8.349 -0.004 1 1 129 . 15 1 1 A 15 15 ALA HA H 15 3.986 3.663 0.323 1 1 133 . 15 1 1 A 15 15 ALA CA C 15 55.067 54.959 0.108 1 1 134 . 15 1 1 A 15 15 ALA N N 15 121.882 121.166 0.716 1 1 135 . 15 1 1 A 16 16 PHE H H 16 8.668 8.473 0.195 1 1 136 . 15 1 1 A 16 16 PHE HA H 16 4.138 4.234 -0.096 1 1 143 . 15 1 1 A 16 16 PHE CA C 16 61.116 60.945 0.171 1 1 144 . 15 1 1 A 16 16 PHE CB C 16 38.857 39.182 -0.325 1 1 145 . 15 1 1 A 16 16 PHE N N 16 116.563 119.395 -2.832 1 1 146 . 15 1 1 A 17 17 GLY H H 17 8.163 9.054 -0.891 1 1 147 . 15 1 1 A 17 17 GLY HA2 H 17 3.891 3.896 -0.005 1 1 148 . 15 1 1 A 17 17 GLY HA3 H 17 3.891 3.922 -0.031 1 1 149 . 15 1 1 A 17 17 GLY N N 17 105.893 106.871 -0.978 1 1 150 . 15 1 1 A 18 18 ALA H H 18 7.842 7.797 0.045 1 1 151 . 15 1 1 A 18 18 ALA HA H 18 4.035 3.952 0.083 1 1 155 . 15 1 1 A 18 18 ALA CA C 18 55.037 54.654 0.383 1 1 156 . 15 1 1 A 18 18 ALA CB C 18 18.223 18.463 -0.240 1 1 157 . 15 1 1 A 18 18 ALA N N 18 122.050 124.239 -2.189 1 1 158 . 15 1 1 A 19 19 VAL H H 19 8.010 7.610 0.400 1 1 159 . 15 1 1 A 19 19 VAL HA H 19 3.549 3.732 -0.183 1 1 167 . 15 1 1 A 19 19 VAL CA C 19 66.571 65.058 1.513 1 1 168 . 15 1 1 A 19 19 VAL CB C 19 31.436 31.517 -0.081 1 1 171 . 15 1 1 A 19 19 VAL N N 19 118.184 116.319 1.865 1 1 172 . 15 1 1 A 20 20 GLU H H 20 8.339 8.700 -0.361 1 1 173 . 15 1 1 A 20 20 GLU HA H 20 3.666 4.047 -0.381 1 1 178 . 15 1 1 A 20 20 GLU CA C 20 60.103 59.438 0.665 1 1 180 . 15 1 1 A 20 20 GLU N N 20 118.704 120.538 -1.834 1 1 181 . 15 1 1 A 21 21 ARG H H 21 7.939 8.284 -0.345 1 1 182 . 15 1 1 A 21 21 ARG HA H 21 3.935 4.025 -0.090 1 1 190 . 15 1 1 A 21 21 ARG N N 21 116.955 120.887 -3.932 1 1 191 . 15 1 1 A 22 22 ALA H H 22 7.784 7.369 0.415 1 1 192 . 15 1 1 A 22 22 ALA HA H 22 4.166 4.101 0.065 1 1 196 . 15 1 1 A 22 22 ALA CA C 22 54.645 54.942 -0.297 1 1 197 . 15 1 1 A 22 22 ALA CB C 22 18.724 18.360 0.364 1 1 198 . 15 1 1 A 22 22 ALA N N 22 121.252 121.871 -0.619 1 1 199 . 15 1 1 A 23 23 VAL H H 23 8.086 7.501 0.585 1 1 200 . 15 1 1 A 23 23 VAL HA H 23 3.872 3.768 0.104 1 1 208 . 15 1 1 A 23 23 VAL CA C 23 64.928 65.868 -0.940 1 1 209 . 15 1 1 A 23 23 VAL CB C 23 32.451 31.445 1.006 1 1 212 . 15 1 1 A 23 23 VAL N N 23 114.516 118.602 -4.086 1 1 213 . 15 1 1 A 24 24 LEU H H 24 8.060 7.651 0.409 1 1 223 . 15 1 1 A 24 24 LEU N N 24 118.014 120.313 -2.299 1 1 224 . 15 1 1 A 25 25 GLY H H 25 7.880 8.072 -0.192 1 1 225 . 15 1 1 A 25 25 GLY HA2 H 25 3.949 3.710 0.239 1 1 226 . 15 1 1 A 25 25 GLY HA3 H 25 3.966 3.711 0.255 1 1 227 . 15 1 1 A 25 25 GLY CA C 25 45.959 47.239 -1.280 1 1 228 . 15 1 1 A 25 25 GLY N N 25 106.969 106.491 0.478 1 1 229 . 15 1 1 A 26 26 GLY H H 26 8.123 7.058 1.065 1 1 230 . 15 1 1 A 26 26 GLY HA2 H 26 3.912 4.066 -0.154 1 1 231 . 15 1 1 A 26 26 GLY HA3 H 26 4.002 4.069 -0.067 1 1 232 . 15 1 1 A 26 26 GLY CA C 26 45.691 45.799 -0.108 1 1 233 . 15 1 1 A 26 26 GLY N N 26 108.223 104.030 4.193 1 1 234 . 15 1 1 A 27 27 SER H H 27 8.201 8.874 -0.673 1 1 235 . 15 1 1 A 27 27 SER HA H 27 4.353 5.276 -0.923 1 1 238 . 15 1 1 A 27 27 SER CA C 27 59.117 56.966 2.151 1 1 239 . 15 1 1 A 27 27 SER CB C 27 63.770 66.428 -2.658 1 1 240 . 15 1 1 A 27 27 SER N N 27 115.317 121.673 -6.356 1 1 241 . 15 1 1 A 28 28 ARG H H 28 8.155 8.782 -0.627 1 1 242 . 15 1 1 A 28 28 ARG HA H 28 4.258 4.096 0.162 1 1 250 . 15 1 1 A 28 28 ARG CA C 28 56.348 58.316 -1.968 1 1 251 . 15 1 1 A 28 28 ARG N N 28 121.519 118.870 2.649 1 1 252 . 15 1 1 A 29 29 ASP H H 29 8.167 8.587 -0.420 1 1 255 . 15 1 1 A 29 29 ASP CB C 29 38.462 43.274 -4.812 1 1 256 . 15 1 1 A 29 29 ASP N N 29 118.393 121.774 -3.381 1 1 257 . 15 1 1 A 30 30 TYR H H 30 7.910 7.754 0.156 1 1 258 . 15 1 1 A 30 30 TYR HA H 30 4.484 4.599 -0.115 1 1 265 . 15 1 1 A 30 30 TYR CA C 30 58.097 56.687 1.410 1 1 266 . 15 1 1 A 30 30 TYR CB C 30 38.759 36.496 2.263 1 1 267 . 15 1 1 A 30 30 TYR N N 30 119.859 116.614 3.245 1 1 268 . 15 1 1 A 31 31 ASN H H 31 8.152 7.927 0.225 1 1 269 . 15 1 1 A 31 31 ASN HA H 31 4.658 5.359 -0.701 1 1 274 . 15 1 1 A 31 31 ASN CA C 31 53.245 53.136 0.109 1 1 275 . 15 1 1 A 31 31 ASN CB C 31 39.156 40.671 -1.515 1 1 276 . 15 1 1 A 31 31 ASN N N 31 119.343 122.880 -3.537 1 1 13 . 16 1 1 A 2 2 ARG H H 2 8.864 9.452 -0.588 1 1 14 . 16 1 1 A 2 2 ARG HA H 2 4.393 4.017 0.376 1 1 22 . 16 1 1 A 2 2 ARG CA C 2 56.327 57.220 -0.893 1 1 23 . 16 1 1 A 2 2 ARG N N 2 124.285 119.709 4.576 1 1 24 . 16 1 1 A 3 3 SER H H 3 8.495 8.407 0.088 1 1 25 . 16 1 1 A 3 3 SER HA H 3 4.491 4.218 0.273 1 1 28 . 16 1 1 A 3 3 SER CB C 3 64.117 63.063 1.054 1 1 29 . 16 1 1 A 3 3 SER N N 3 117.670 113.407 4.263 1 1 30 . 16 1 1 A 4 4 ARG H H 4 8.672 8.119 0.553 1 1 31 . 16 1 1 A 4 4 ARG HA H 4 4.314 4.270 0.044 1 1 39 . 16 1 1 A 4 4 ARG CA C 4 56.779 57.551 -0.772 1 1 40 . 16 1 1 A 4 4 ARG N N 4 123.739 119.687 4.052 1 1 41 . 16 1 1 A 5 5 LYS H H 5 8.328 7.666 0.662 1 1 42 . 16 1 1 A 5 5 LYS HA H 5 4.127 4.096 0.031 1 1 49 . 16 1 1 A 5 5 LYS CA C 5 57.431 59.168 -1.737 1 1 51 . 16 1 1 A 5 5 LYS N N 5 120.706 117.912 2.794 1 1 52 . 16 1 1 A 6 6 ASN H H 6 8.115 8.267 -0.152 1 1 57 . 16 1 1 A 6 6 ASN CA C 6 53.066 53.901 -0.835 1 1 58 . 16 1 1 A 6 6 ASN CB C 6 39.187 37.815 1.372 1 1 59 . 16 1 1 A 6 6 ASN N N 6 117.807 117.760 0.047 1 1 60 . 16 1 1 A 7 7 GLY H H 7 8.499 8.607 -0.108 1 1 61 . 16 1 1 A 7 7 GLY HA2 H 7 4.051 4.108 -0.057 1 1 62 . 16 1 1 A 7 7 GLY HA3 H 7 4.051 4.272 -0.221 1 1 63 . 16 1 1 A 7 7 GLY CA C 7 46.153 45.671 0.482 1 1 64 . 16 1 1 A 7 7 GLY N N 7 108.804 113.450 -4.646 1 1 65 . 16 1 1 A 8 8 ILE H H 8 8.496 7.989 0.507 1 1 75 . 16 1 1 A 8 8 ILE CB C 8 38.082 39.335 -1.253 1 1 76 . 16 1 1 A 8 8 ILE N N 8 121.041 121.914 -0.873 1 1 77 . 16 1 1 A 9 9 GLY H H 9 8.656 8.500 0.156 1 1 78 . 16 1 1 A 9 9 GLY HA2 H 9 3.671 3.732 -0.061 1 1 79 . 16 1 1 A 9 9 GLY HA3 H 9 3.671 3.761 -0.090 1 1 80 . 16 1 1 A 9 9 GLY CA C 9 47.324 47.175 0.149 1 1 81 . 16 1 1 A 9 9 GLY N N 9 108.767 109.447 -0.680 1 1 82 . 16 1 1 A 10 10 TYR H H 10 7.987 8.234 -0.247 1 1 83 . 16 1 1 A 10 10 TYR HA H 10 4.269 4.416 -0.147 1 1 90 . 16 1 1 A 10 10 TYR CA C 10 60.713 60.001 0.712 1 1 91 . 16 1 1 A 10 10 TYR CB C 10 38.354 37.565 0.789 1 1 92 . 16 1 1 A 10 10 TYR N N 10 121.261 120.098 1.163 1 1 93 . 16 1 1 A 11 11 ALA H H 11 8.020 7.529 0.491 1 1 94 . 16 1 1 A 11 11 ALA HA H 11 4.040 3.624 0.416 1 1 98 . 16 1 1 A 11 11 ALA CA C 11 55.355 54.655 0.700 1 1 99 . 16 1 1 A 11 11 ALA CB C 11 18.737 18.227 0.510 1 1 100 . 16 1 1 A 11 11 ALA N N 11 122.295 123.378 -1.083 1 1 101 . 16 1 1 A 12 12 ILE H H 12 8.308 7.718 0.590 1 1 102 . 16 1 1 A 12 12 ILE HA H 12 3.732 3.914 -0.182 1 1 111 . 16 1 1 A 12 12 ILE CB C 12 37.611 37.715 -0.104 1 1 112 . 16 1 1 A 12 12 ILE N N 12 116.853 118.636 -1.783 1 1 113 . 16 1 1 A 13 13 GLY H H 13 8.171 8.399 -0.228 1 1 114 . 16 1 1 A 13 13 GLY HA2 H 13 3.744 3.792 -0.048 1 1 115 . 16 1 1 A 13 13 GLY HA3 H 13 3.744 3.804 -0.060 1 1 116 . 16 1 1 A 13 13 GLY CA C 13 47.343 47.215 0.128 1 1 117 . 16 1 1 A 13 13 GLY N N 13 107.089 109.424 -2.335 1 1 118 . 16 1 1 A 14 14 TYR H H 14 8.223 8.611 -0.388 1 1 119 . 16 1 1 A 14 14 TYR HA H 14 4.147 4.132 0.015 1 1 126 . 16 1 1 A 14 14 TYR CB C 14 38.415 39.071 -0.656 1 1 127 . 16 1 1 A 14 14 TYR N N 14 122.935 123.140 -0.205 1 1 128 . 16 1 1 A 15 15 ALA H H 15 8.345 8.340 0.005 1 1 129 . 16 1 1 A 15 15 ALA HA H 15 3.986 3.835 0.151 1 1 133 . 16 1 1 A 15 15 ALA CA C 15 55.067 55.005 0.062 1 1 134 . 16 1 1 A 15 15 ALA N N 15 121.882 121.603 0.279 1 1 135 . 16 1 1 A 16 16 PHE H H 16 8.668 8.558 0.110 1 1 136 . 16 1 1 A 16 16 PHE HA H 16 4.138 4.238 -0.100 1 1 143 . 16 1 1 A 16 16 PHE CA C 16 61.116 60.946 0.170 1 1 144 . 16 1 1 A 16 16 PHE CB C 16 38.857 39.265 -0.408 1 1 145 . 16 1 1 A 16 16 PHE N N 16 116.563 119.411 -2.848 1 1 146 . 16 1 1 A 17 17 GLY H H 17 8.163 9.066 -0.903 1 1 147 . 16 1 1 A 17 17 GLY HA2 H 17 3.891 3.882 0.009 1 1 148 . 16 1 1 A 17 17 GLY HA3 H 17 3.891 3.896 -0.005 1 1 149 . 16 1 1 A 17 17 GLY N N 17 105.893 106.876 -0.983 1 1 150 . 16 1 1 A 18 18 ALA H H 18 7.842 7.693 0.149 1 1 151 . 16 1 1 A 18 18 ALA HA H 18 4.035 3.944 0.091 1 1 155 . 16 1 1 A 18 18 ALA CA C 18 55.037 54.654 0.383 1 1 156 . 16 1 1 A 18 18 ALA CB C 18 18.223 18.574 -0.351 1 1 157 . 16 1 1 A 18 18 ALA N N 18 122.050 124.580 -2.530 1 1 158 . 16 1 1 A 19 19 VAL H H 19 8.010 7.749 0.261 1 1 159 . 16 1 1 A 19 19 VAL HA H 19 3.549 3.762 -0.213 1 1 167 . 16 1 1 A 19 19 VAL CA C 19 66.571 65.108 1.463 1 1 168 . 16 1 1 A 19 19 VAL CB C 19 31.436 31.495 -0.059 1 1 171 . 16 1 1 A 19 19 VAL N N 19 118.184 116.203 1.981 1 1 172 . 16 1 1 A 20 20 GLU H H 20 8.339 8.541 -0.202 1 1 173 . 16 1 1 A 20 20 GLU HA H 20 3.666 4.041 -0.375 1 1 178 . 16 1 1 A 20 20 GLU CA C 20 60.103 59.436 0.667 1 1 180 . 16 1 1 A 20 20 GLU N N 20 118.704 120.837 -2.133 1 1 181 . 16 1 1 A 21 21 ARG H H 21 7.939 8.293 -0.354 1 1 182 . 16 1 1 A 21 21 ARG HA H 21 3.935 4.012 -0.077 1 1 190 . 16 1 1 A 21 21 ARG N N 21 116.955 120.820 -3.865 1 1 191 . 16 1 1 A 22 22 ALA H H 22 7.784 7.838 -0.054 1 1 192 . 16 1 1 A 22 22 ALA HA H 22 4.166 4.068 0.098 1 1 196 . 16 1 1 A 22 22 ALA CA C 22 54.645 55.191 -0.546 1 1 197 . 16 1 1 A 22 22 ALA CB C 22 18.724 18.424 0.300 1 1 198 . 16 1 1 A 22 22 ALA N N 22 121.252 122.138 -0.886 1 1 199 . 16 1 1 A 23 23 VAL H H 23 8.086 8.040 0.046 1 1 200 . 16 1 1 A 23 23 VAL HA H 23 3.872 3.637 0.235 1 1 208 . 16 1 1 A 23 23 VAL CA C 23 64.928 66.380 -1.452 1 1 209 . 16 1 1 A 23 23 VAL CB C 23 32.451 31.697 0.754 1 1 212 . 16 1 1 A 23 23 VAL N N 23 114.516 118.488 -3.972 1 1 213 . 16 1 1 A 24 24 LEU H H 24 8.060 7.478 0.582 1 1 223 . 16 1 1 A 24 24 LEU N N 24 118.014 118.367 -0.353 1 1 224 . 16 1 1 A 25 25 GLY H H 25 7.880 7.671 0.209 1 1 225 . 16 1 1 A 25 25 GLY HA2 H 25 3.949 4.046 -0.097 1 1 226 . 16 1 1 A 25 25 GLY HA3 H 25 3.966 4.046 -0.080 1 1 227 . 16 1 1 A 25 25 GLY CA C 25 45.959 44.854 1.105 1 1 228 . 16 1 1 A 25 25 GLY N N 25 106.969 106.239 0.730 1 1 229 . 16 1 1 A 26 26 GLY H H 26 8.123 8.301 -0.178 1 1 230 . 16 1 1 A 26 26 GLY HA2 H 26 3.912 4.179 -0.267 1 1 231 . 16 1 1 A 26 26 GLY HA3 H 26 4.002 4.180 -0.178 1 1 232 . 16 1 1 A 26 26 GLY CA C 26 45.691 45.628 0.063 1 1 233 . 16 1 1 A 26 26 GLY N N 26 108.223 110.387 -2.164 1 1 234 . 16 1 1 A 27 27 SER H H 27 8.201 8.818 -0.617 1 1 235 . 16 1 1 A 27 27 SER HA H 27 4.353 5.135 -0.782 1 1 238 . 16 1 1 A 27 27 SER CA C 27 59.117 57.569 1.548 1 1 239 . 16 1 1 A 27 27 SER CB C 27 63.770 65.649 -1.879 1 1 240 . 16 1 1 A 27 27 SER N N 27 115.317 117.507 -2.190 1 1 241 . 16 1 1 A 28 28 ARG H H 28 8.155 8.601 -0.446 1 1 242 . 16 1 1 A 28 28 ARG HA H 28 4.258 4.904 -0.646 1 1 250 . 16 1 1 A 28 28 ARG CA C 28 56.348 54.888 1.460 1 1 251 . 16 1 1 A 28 28 ARG N N 28 121.519 121.159 0.360 1 1 252 . 16 1 1 A 29 29 ASP H H 29 8.167 9.381 -1.214 1 1 255 . 16 1 1 A 29 29 ASP CB C 29 38.462 39.693 -1.231 1 1 256 . 16 1 1 A 29 29 ASP N N 29 118.393 119.762 -1.369 1 1 257 . 16 1 1 A 30 30 TYR H H 30 7.910 8.486 -0.576 1 1 258 . 16 1 1 A 30 30 TYR HA H 30 4.484 4.157 0.327 1 1 265 . 16 1 1 A 30 30 TYR CA C 30 58.097 58.509 -0.412 1 1 266 . 16 1 1 A 30 30 TYR CB C 30 38.759 35.898 2.861 1 1 267 . 16 1 1 A 30 30 TYR N N 30 119.859 112.090 7.769 1 1 268 . 16 1 1 A 31 31 ASN H H 31 8.152 7.892 0.260 1 1 269 . 16 1 1 A 31 31 ASN HA H 31 4.658 4.399 0.259 1 1 274 . 16 1 1 A 31 31 ASN CA C 31 53.245 56.048 -2.803 1 1 275 . 16 1 1 A 31 31 ASN CB C 31 39.156 38.867 0.289 1 1 276 . 16 1 1 A 31 31 ASN N N 31 119.343 117.396 1.947 1 1 13 . 17 1 1 A 2 2 ARG H H 2 8.864 9.017 -0.153 1 1 14 . 17 1 1 A 2 2 ARG HA H 2 4.393 3.748 0.645 1 1 22 . 17 1 1 A 2 2 ARG CA C 2 56.327 57.083 -0.756 1 1 23 . 17 1 1 A 2 2 ARG N N 2 124.285 124.517 -0.232 1 1 24 . 17 1 1 A 3 3 SER H H 3 8.495 7.933 0.562 1 1 25 . 17 1 1 A 3 3 SER HA H 3 4.491 4.622 -0.131 1 1 28 . 17 1 1 A 3 3 SER CB C 3 64.117 63.641 0.476 1 1 29 . 17 1 1 A 3 3 SER N N 3 117.670 113.382 4.288 1 1 30 . 17 1 1 A 4 4 ARG H H 4 8.672 7.740 0.932 1 1 31 . 17 1 1 A 4 4 ARG HA H 4 4.314 4.143 0.171 1 1 39 . 17 1 1 A 4 4 ARG CA C 4 56.779 58.597 -1.818 1 1 40 . 17 1 1 A 4 4 ARG N N 4 123.739 121.961 1.778 1 1 41 . 17 1 1 A 5 5 LYS H H 5 8.328 7.694 0.634 1 1 42 . 17 1 1 A 5 5 LYS HA H 5 4.127 4.378 -0.251 1 1 49 . 17 1 1 A 5 5 LYS CA C 5 57.431 56.215 1.216 1 1 51 . 17 1 1 A 5 5 LYS N N 5 120.706 117.088 3.618 1 1 52 . 17 1 1 A 6 6 ASN H H 6 8.115 8.198 -0.083 1 1 57 . 17 1 1 A 6 6 ASN CA C 6 53.066 53.910 -0.844 1 1 58 . 17 1 1 A 6 6 ASN CB C 6 39.187 37.390 1.797 1 1 59 . 17 1 1 A 6 6 ASN N N 6 117.807 116.664 1.143 1 1 60 . 17 1 1 A 7 7 GLY H H 7 8.499 8.291 0.208 1 1 61 . 17 1 1 A 7 7 GLY HA2 H 7 4.051 4.201 -0.150 1 1 62 . 17 1 1 A 7 7 GLY HA3 H 7 4.051 4.329 -0.278 1 1 63 . 17 1 1 A 7 7 GLY CA C 7 46.153 45.304 0.849 1 1 64 . 17 1 1 A 7 7 GLY N N 7 108.804 110.902 -2.098 1 1 65 . 17 1 1 A 8 8 ILE H H 8 8.496 8.151 0.345 1 1 75 . 17 1 1 A 8 8 ILE CB C 8 38.082 40.771 -2.689 1 1 76 . 17 1 1 A 8 8 ILE N N 8 121.041 119.129 1.912 1 1 77 . 17 1 1 A 9 9 GLY H H 9 8.656 8.233 0.423 1 1 78 . 17 1 1 A 9 9 GLY HA2 H 9 3.671 3.963 -0.292 1 1 79 . 17 1 1 A 9 9 GLY HA3 H 9 3.671 3.996 -0.325 1 1 80 . 17 1 1 A 9 9 GLY CA C 9 47.324 45.468 1.856 1 1 81 . 17 1 1 A 9 9 GLY N N 9 108.767 109.504 -0.737 1 1 82 . 17 1 1 A 10 10 TYR H H 10 7.987 8.477 -0.490 1 1 83 . 17 1 1 A 10 10 TYR HA H 10 4.269 4.395 -0.126 1 1 90 . 17 1 1 A 10 10 TYR CA C 10 60.713 60.096 0.617 1 1 91 . 17 1 1 A 10 10 TYR CB C 10 38.354 37.553 0.801 1 1 92 . 17 1 1 A 10 10 TYR N N 10 121.261 120.071 1.190 1 1 93 . 17 1 1 A 11 11 ALA H H 11 8.020 7.332 0.688 1 1 94 . 17 1 1 A 11 11 ALA HA H 11 4.040 3.645 0.395 1 1 98 . 17 1 1 A 11 11 ALA CA C 11 55.355 54.683 0.672 1 1 99 . 17 1 1 A 11 11 ALA CB C 11 18.737 18.062 0.675 1 1 100 . 17 1 1 A 11 11 ALA N N 11 122.295 122.948 -0.653 1 1 101 . 17 1 1 A 12 12 ILE H H 12 8.308 8.000 0.308 1 1 102 . 17 1 1 A 12 12 ILE HA H 12 3.732 3.893 -0.161 1 1 111 . 17 1 1 A 12 12 ILE CB C 12 37.611 37.639 -0.028 1 1 112 . 17 1 1 A 12 12 ILE N N 12 116.853 118.620 -1.767 1 1 113 . 17 1 1 A 13 13 GLY H H 13 8.171 8.281 -0.110 1 1 114 . 17 1 1 A 13 13 GLY HA2 H 13 3.744 3.794 -0.050 1 1 115 . 17 1 1 A 13 13 GLY HA3 H 13 3.744 3.804 -0.060 1 1 116 . 17 1 1 A 13 13 GLY CA C 13 47.343 47.175 0.168 1 1 117 . 17 1 1 A 13 13 GLY N N 13 107.089 109.480 -2.391 1 1 118 . 17 1 1 A 14 14 TYR H H 14 8.223 8.647 -0.424 1 1 119 . 17 1 1 A 14 14 TYR HA H 14 4.147 4.160 -0.013 1 1 126 . 17 1 1 A 14 14 TYR CB C 14 38.415 38.952 -0.537 1 1 127 . 17 1 1 A 14 14 TYR N N 14 122.935 123.108 -0.173 1 1 128 . 17 1 1 A 15 15 ALA H H 15 8.345 8.253 0.092 1 1 129 . 17 1 1 A 15 15 ALA HA H 15 3.986 3.974 0.012 1 1 133 . 17 1 1 A 15 15 ALA CA C 15 55.067 55.095 -0.028 1 1 134 . 17 1 1 A 15 15 ALA N N 15 121.882 121.785 0.097 1 1 135 . 17 1 1 A 16 16 PHE H H 16 8.668 8.577 0.091 1 1 136 . 17 1 1 A 16 16 PHE HA H 16 4.138 4.260 -0.122 1 1 143 . 17 1 1 A 16 16 PHE CA C 16 61.116 60.972 0.144 1 1 144 . 17 1 1 A 16 16 PHE CB C 16 38.857 39.197 -0.340 1 1 145 . 17 1 1 A 16 16 PHE N N 16 116.563 119.418 -2.855 1 1 146 . 17 1 1 A 17 17 GLY H H 17 8.163 8.975 -0.812 1 1 147 . 17 1 1 A 17 17 GLY HA2 H 17 3.891 3.892 -0.001 1 1 148 . 17 1 1 A 17 17 GLY HA3 H 17 3.891 3.914 -0.023 1 1 149 . 17 1 1 A 17 17 GLY N N 17 105.893 106.879 -0.986 1 1 150 . 17 1 1 A 18 18 ALA H H 18 7.842 7.936 -0.094 1 1 151 . 17 1 1 A 18 18 ALA HA H 18 4.035 3.926 0.109 1 1 155 . 17 1 1 A 18 18 ALA CA C 18 55.037 54.651 0.386 1 1 156 . 17 1 1 A 18 18 ALA CB C 18 18.223 18.489 -0.266 1 1 157 . 17 1 1 A 18 18 ALA N N 18 122.050 124.414 -2.364 1 1 158 . 17 1 1 A 19 19 VAL H H 19 8.010 7.669 0.341 1 1 159 . 17 1 1 A 19 19 VAL HA H 19 3.549 3.755 -0.206 1 1 167 . 17 1 1 A 19 19 VAL CA C 19 66.571 65.061 1.510 1 1 168 . 17 1 1 A 19 19 VAL CB C 19 31.436 31.540 -0.104 1 1 171 . 17 1 1 A 19 19 VAL N N 19 118.184 116.541 1.643 1 1 172 . 17 1 1 A 20 20 GLU H H 20 8.339 8.559 -0.220 1 1 173 . 17 1 1 A 20 20 GLU HA H 20 3.666 4.051 -0.385 1 1 178 . 17 1 1 A 20 20 GLU CA C 20 60.103 59.456 0.647 1 1 180 . 17 1 1 A 20 20 GLU N N 20 118.704 120.545 -1.841 1 1 181 . 17 1 1 A 21 21 ARG H H 21 7.939 8.113 -0.174 1 1 182 . 17 1 1 A 21 21 ARG HA H 21 3.935 4.019 -0.084 1 1 190 . 17 1 1 A 21 21 ARG N N 21 116.955 120.747 -3.792 1 1 191 . 17 1 1 A 22 22 ALA H H 22 7.784 7.389 0.395 1 1 192 . 17 1 1 A 22 22 ALA HA H 22 4.166 4.029 0.137 1 1 196 . 17 1 1 A 22 22 ALA CA C 22 54.645 55.172 -0.527 1 1 197 . 17 1 1 A 22 22 ALA CB C 22 18.724 18.183 0.541 1 1 198 . 17 1 1 A 22 22 ALA N N 22 121.252 122.122 -0.870 1 1 199 . 17 1 1 A 23 23 VAL H H 23 8.086 7.644 0.442 1 1 200 . 17 1 1 A 23 23 VAL HA H 23 3.872 3.712 0.160 1 1 208 . 17 1 1 A 23 23 VAL CA C 23 64.928 66.256 -1.328 1 1 209 . 17 1 1 A 23 23 VAL CB C 23 32.451 31.673 0.778 1 1 212 . 17 1 1 A 23 23 VAL N N 23 114.516 118.078 -3.562 1 1 213 . 17 1 1 A 24 24 LEU H H 24 8.060 7.723 0.337 1 1 223 . 17 1 1 A 24 24 LEU N N 24 118.014 118.671 -0.657 1 1 224 . 17 1 1 A 25 25 GLY H H 25 7.880 8.169 -0.289 1 1 225 . 17 1 1 A 25 25 GLY HA2 H 25 3.949 3.993 -0.044 1 1 226 . 17 1 1 A 25 25 GLY HA3 H 25 3.966 3.993 -0.027 1 1 227 . 17 1 1 A 25 25 GLY CA C 25 45.959 46.051 -0.092 1 1 228 . 17 1 1 A 25 25 GLY N N 25 106.969 108.202 -1.233 1 1 229 . 17 1 1 A 26 26 GLY H H 26 8.123 8.317 -0.194 1 1 230 . 17 1 1 A 26 26 GLY HA2 H 26 3.912 4.202 -0.290 1 1 231 . 17 1 1 A 26 26 GLY HA3 H 26 4.002 4.203 -0.201 1 1 232 . 17 1 1 A 26 26 GLY CA C 26 45.691 45.991 -0.300 1 1 233 . 17 1 1 A 26 26 GLY N N 26 108.223 110.507 -2.284 1 1 234 . 17 1 1 A 27 27 SER H H 27 8.201 8.344 -0.143 1 1 235 . 17 1 1 A 27 27 SER HA H 27 4.353 5.031 -0.678 1 1 238 . 17 1 1 A 27 27 SER CA C 27 59.117 57.554 1.563 1 1 239 . 17 1 1 A 27 27 SER CB C 27 63.770 65.327 -1.557 1 1 240 . 17 1 1 A 27 27 SER N N 27 115.317 114.640 0.677 1 1 241 . 17 1 1 A 28 28 ARG H H 28 8.155 8.756 -0.601 1 1 242 . 17 1 1 A 28 28 ARG HA H 28 4.258 5.155 -0.897 1 1 250 . 17 1 1 A 28 28 ARG CA C 28 56.348 54.914 1.434 1 1 251 . 17 1 1 A 28 28 ARG N N 28 121.519 119.580 1.939 1 1 252 . 17 1 1 A 29 29 ASP H H 29 8.167 9.013 -0.846 1 1 255 . 17 1 1 A 29 29 ASP CB C 29 38.462 43.875 -5.413 1 1 256 . 17 1 1 A 29 29 ASP N N 29 118.393 119.783 -1.390 1 1 257 . 17 1 1 A 30 30 TYR H H 30 7.910 7.884 0.026 1 1 258 . 17 1 1 A 30 30 TYR HA H 30 4.484 4.774 -0.290 1 1 265 . 17 1 1 A 30 30 TYR CA C 30 58.097 57.746 0.351 1 1 266 . 17 1 1 A 30 30 TYR CB C 30 38.759 40.427 -1.668 1 1 267 . 17 1 1 A 30 30 TYR N N 30 119.859 116.291 3.568 1 1 268 . 17 1 1 A 31 31 ASN H H 31 8.152 9.033 -0.881 1 1 269 . 17 1 1 A 31 31 ASN HA H 31 4.658 5.090 -0.432 1 1 274 . 17 1 1 A 31 31 ASN CA C 31 53.245 51.827 1.418 1 1 275 . 17 1 1 A 31 31 ASN CB C 31 39.156 37.617 1.539 1 1 276 . 17 1 1 A 31 31 ASN N N 31 119.343 121.011 -1.668 1 1 13 . 18 1 1 A 2 2 ARG H H 2 8.864 7.955 0.909 1 1 14 . 18 1 1 A 2 2 ARG HA H 2 4.393 4.725 -0.332 1 1 22 . 18 1 1 A 2 2 ARG CA C 2 56.327 55.110 1.217 1 1 23 . 18 1 1 A 2 2 ARG N N 2 124.285 116.977 7.308 1 1 24 . 18 1 1 A 3 3 SER H H 3 8.495 7.885 0.610 1 1 25 . 18 1 1 A 3 3 SER HA H 3 4.491 4.390 0.101 1 1 28 . 18 1 1 A 3 3 SER CB C 3 64.117 62.620 1.497 1 1 29 . 18 1 1 A 3 3 SER N N 3 117.670 115.679 1.991 1 1 30 . 18 1 1 A 4 4 ARG H H 4 8.672 7.660 1.012 1 1 31 . 18 1 1 A 4 4 ARG HA H 4 4.314 4.286 0.028 1 1 39 . 18 1 1 A 4 4 ARG CA C 4 56.779 56.650 0.129 1 1 40 . 18 1 1 A 4 4 ARG N N 4 123.739 119.510 4.229 1 1 41 . 18 1 1 A 5 5 LYS H H 5 8.328 7.857 0.471 1 1 42 . 18 1 1 A 5 5 LYS HA H 5 4.127 4.334 -0.207 1 1 49 . 18 1 1 A 5 5 LYS CA C 5 57.431 57.721 -0.290 1 1 51 . 18 1 1 A 5 5 LYS N N 5 120.706 119.699 1.007 1 1 52 . 18 1 1 A 6 6 ASN H H 6 8.115 8.160 -0.045 1 1 57 . 18 1 1 A 6 6 ASN CA C 6 53.066 54.236 -1.170 1 1 58 . 18 1 1 A 6 6 ASN CB C 6 39.187 39.744 -0.557 1 1 59 . 18 1 1 A 6 6 ASN N N 6 117.807 115.438 2.369 1 1 60 . 18 1 1 A 7 7 GLY H H 7 8.499 8.291 0.208 1 1 61 . 18 1 1 A 7 7 GLY HA2 H 7 4.051 4.101 -0.050 1 1 62 . 18 1 1 A 7 7 GLY HA3 H 7 4.051 4.270 -0.219 1 1 63 . 18 1 1 A 7 7 GLY CA C 7 46.153 46.458 -0.305 1 1 64 . 18 1 1 A 7 7 GLY N N 7 108.804 105.705 3.099 1 1 65 . 18 1 1 A 8 8 ILE H H 8 8.496 8.013 0.483 1 1 75 . 18 1 1 A 8 8 ILE CB C 8 38.082 40.485 -2.403 1 1 76 . 18 1 1 A 8 8 ILE N N 8 121.041 119.026 2.015 1 1 77 . 18 1 1 A 9 9 GLY H H 9 8.656 8.334 0.322 1 1 78 . 18 1 1 A 9 9 GLY HA2 H 9 3.671 3.902 -0.231 1 1 79 . 18 1 1 A 9 9 GLY HA3 H 9 3.671 3.934 -0.263 1 1 80 . 18 1 1 A 9 9 GLY CA C 9 47.324 45.775 1.549 1 1 81 . 18 1 1 A 9 9 GLY N N 9 108.767 109.211 -0.444 1 1 82 . 18 1 1 A 10 10 TYR H H 10 7.987 8.407 -0.420 1 1 83 . 18 1 1 A 10 10 TYR HA H 10 4.269 4.394 -0.125 1 1 90 . 18 1 1 A 10 10 TYR CA C 10 60.713 60.088 0.625 1 1 91 . 18 1 1 A 10 10 TYR CB C 10 38.354 37.575 0.779 1 1 92 . 18 1 1 A 10 10 TYR N N 10 121.261 119.945 1.316 1 1 93 . 18 1 1 A 11 11 ALA H H 11 8.020 7.374 0.646 1 1 94 . 18 1 1 A 11 11 ALA HA H 11 4.040 3.688 0.352 1 1 98 . 18 1 1 A 11 11 ALA CA C 11 55.355 54.719 0.636 1 1 99 . 18 1 1 A 11 11 ALA CB C 11 18.737 18.085 0.652 1 1 100 . 18 1 1 A 11 11 ALA N N 11 122.295 122.977 -0.682 1 1 101 . 18 1 1 A 12 12 ILE H H 12 8.308 8.065 0.243 1 1 102 . 18 1 1 A 12 12 ILE HA H 12 3.732 3.888 -0.156 1 1 111 . 18 1 1 A 12 12 ILE CB C 12 37.611 37.641 -0.030 1 1 112 . 18 1 1 A 12 12 ILE N N 12 116.853 118.628 -1.775 1 1 113 . 18 1 1 A 13 13 GLY H H 13 8.171 8.277 -0.106 1 1 114 . 18 1 1 A 13 13 GLY HA2 H 13 3.744 3.791 -0.047 1 1 115 . 18 1 1 A 13 13 GLY HA3 H 13 3.744 3.804 -0.060 1 1 116 . 18 1 1 A 13 13 GLY CA C 13 47.343 47.172 0.171 1 1 117 . 18 1 1 A 13 13 GLY N N 13 107.089 109.472 -2.383 1 1 118 . 18 1 1 A 14 14 TYR H H 14 8.223 8.633 -0.410 1 1 119 . 18 1 1 A 14 14 TYR HA H 14 4.147 4.159 -0.012 1 1 126 . 18 1 1 A 14 14 TYR CB C 14 38.415 38.743 -0.328 1 1 127 . 18 1 1 A 14 14 TYR N N 14 122.935 123.111 -0.176 1 1 128 . 18 1 1 A 15 15 ALA H H 15 8.345 8.157 0.188 1 1 129 . 18 1 1 A 15 15 ALA HA H 15 3.986 3.774 0.212 1 1 133 . 18 1 1 A 15 15 ALA CA C 15 55.067 54.962 0.105 1 1 134 . 18 1 1 A 15 15 ALA N N 15 121.882 121.630 0.252 1 1 135 . 18 1 1 A 16 16 PHE H H 16 8.668 8.542 0.126 1 1 136 . 18 1 1 A 16 16 PHE HA H 16 4.138 4.239 -0.101 1 1 143 . 18 1 1 A 16 16 PHE CA C 16 61.116 60.952 0.164 1 1 144 . 18 1 1 A 16 16 PHE CB C 16 38.857 39.165 -0.308 1 1 145 . 18 1 1 A 16 16 PHE N N 16 116.563 119.382 -2.819 1 1 146 . 18 1 1 A 17 17 GLY H H 17 8.163 9.030 -0.867 1 1 147 . 18 1 1 A 17 17 GLY HA2 H 17 3.891 3.874 0.017 1 1 148 . 18 1 1 A 17 17 GLY HA3 H 17 3.891 3.899 -0.008 1 1 149 . 18 1 1 A 17 17 GLY N N 17 105.893 106.871 -0.978 1 1 150 . 18 1 1 A 18 18 ALA H H 18 7.842 7.649 0.193 1 1 151 . 18 1 1 A 18 18 ALA HA H 18 4.035 3.946 0.089 1 1 155 . 18 1 1 A 18 18 ALA CA C 18 55.037 54.702 0.335 1 1 156 . 18 1 1 A 18 18 ALA CB C 18 18.223 18.690 -0.467 1 1 157 . 18 1 1 A 18 18 ALA N N 18 122.050 124.560 -2.510 1 1 158 . 18 1 1 A 19 19 VAL H H 19 8.010 7.599 0.411 1 1 159 . 18 1 1 A 19 19 VAL HA H 19 3.549 3.746 -0.197 1 1 167 . 18 1 1 A 19 19 VAL CA C 19 66.571 65.084 1.487 1 1 168 . 18 1 1 A 19 19 VAL CB C 19 31.436 31.494 -0.058 1 1 171 . 18 1 1 A 19 19 VAL N N 19 118.184 116.562 1.622 1 1 172 . 18 1 1 A 20 20 GLU H H 20 8.339 8.513 -0.174 1 1 173 . 18 1 1 A 20 20 GLU HA H 20 3.666 4.039 -0.373 1 1 178 . 18 1 1 A 20 20 GLU CA C 20 60.103 59.420 0.683 1 1 180 . 18 1 1 A 20 20 GLU N N 20 118.704 120.597 -1.893 1 1 181 . 18 1 1 A 21 21 ARG H H 21 7.939 8.288 -0.349 1 1 182 . 18 1 1 A 21 21 ARG HA H 21 3.935 4.005 -0.070 1 1 190 . 18 1 1 A 21 21 ARG N N 21 116.955 120.795 -3.840 1 1 191 . 18 1 1 A 22 22 ALA H H 22 7.784 7.778 0.006 1 1 192 . 18 1 1 A 22 22 ALA HA H 22 4.166 4.045 0.121 1 1 196 . 18 1 1 A 22 22 ALA CA C 22 54.645 55.228 -0.583 1 1 197 . 18 1 1 A 22 22 ALA CB C 22 18.724 18.228 0.496 1 1 198 . 18 1 1 A 22 22 ALA N N 22 121.252 121.862 -0.610 1 1 199 . 18 1 1 A 23 23 VAL H H 23 8.086 7.912 0.174 1 1 200 . 18 1 1 A 23 23 VAL HA H 23 3.872 3.550 0.322 1 1 208 . 18 1 1 A 23 23 VAL CA C 23 64.928 66.911 -1.983 1 1 209 . 18 1 1 A 23 23 VAL CB C 23 32.451 31.346 1.105 1 1 212 . 18 1 1 A 23 23 VAL N N 23 114.516 118.445 -3.929 1 1 213 . 18 1 1 A 24 24 LEU H H 24 8.060 7.788 0.272 1 1 223 . 18 1 1 A 24 24 LEU N N 24 118.014 119.342 -1.328 1 1 224 . 18 1 1 A 25 25 GLY H H 25 7.880 7.629 0.251 1 1 225 . 18 1 1 A 25 25 GLY HA2 H 25 3.949 4.029 -0.080 1 1 226 . 18 1 1 A 25 25 GLY HA3 H 25 3.966 4.029 -0.063 1 1 227 . 18 1 1 A 25 25 GLY CA C 25 45.959 44.719 1.240 1 1 228 . 18 1 1 A 25 25 GLY N N 25 106.969 106.003 0.966 1 1 229 . 18 1 1 A 26 26 GLY H H 26 8.123 8.512 -0.389 1 1 230 . 18 1 1 A 26 26 GLY HA2 H 26 3.912 4.183 -0.271 1 1 231 . 18 1 1 A 26 26 GLY HA3 H 26 4.002 4.184 -0.182 1 1 232 . 18 1 1 A 26 26 GLY CA C 26 45.691 45.637 0.054 1 1 233 . 18 1 1 A 26 26 GLY N N 26 108.223 108.317 -0.094 1 1 234 . 18 1 1 A 27 27 SER H H 27 8.201 8.933 -0.732 1 1 235 . 18 1 1 A 27 27 SER HA H 27 4.353 4.740 -0.387 1 1 238 . 18 1 1 A 27 27 SER CA C 27 59.117 56.026 3.091 1 1 239 . 18 1 1 A 27 27 SER CB C 27 63.770 65.776 -2.006 1 1 240 . 18 1 1 A 27 27 SER N N 27 115.317 118.967 -3.650 1 1 241 . 18 1 1 A 28 28 ARG H H 28 8.155 8.720 -0.565 1 1 242 . 18 1 1 A 28 28 ARG HA H 28 4.258 4.041 0.217 1 1 250 . 18 1 1 A 28 28 ARG CA C 28 56.348 56.581 -0.233 1 1 251 . 18 1 1 A 28 28 ARG N N 28 121.519 120.315 1.204 1 1 252 . 18 1 1 A 29 29 ASP H H 29 8.167 8.657 -0.490 1 1 255 . 18 1 1 A 29 29 ASP CB C 29 38.462 42.686 -4.224 1 1 256 . 18 1 1 A 29 29 ASP N N 29 118.393 120.526 -2.133 1 1 257 . 18 1 1 A 30 30 TYR H H 30 7.910 8.051 -0.141 1 1 258 . 18 1 1 A 30 30 TYR HA H 30 4.484 4.578 -0.094 1 1 265 . 18 1 1 A 30 30 TYR CA C 30 58.097 57.825 0.272 1 1 266 . 18 1 1 A 30 30 TYR CB C 30 38.759 39.304 -0.545 1 1 267 . 18 1 1 A 30 30 TYR N N 30 119.859 114.434 5.425 1 1 268 . 18 1 1 A 31 31 ASN H H 31 8.152 7.910 0.242 1 1 269 . 18 1 1 A 31 31 ASN HA H 31 4.658 4.837 -0.179 1 1 274 . 18 1 1 A 31 31 ASN CA C 31 53.245 53.848 -0.603 1 1 275 . 18 1 1 A 31 31 ASN CB C 31 39.156 40.970 -1.814 1 1 276 . 18 1 1 A 31 31 ASN N N 31 119.343 117.546 1.797 1 1 13 . 19 1 1 A 2 2 ARG H H 2 8.864 8.682 0.182 1 1 14 . 19 1 1 A 2 2 ARG HA H 2 4.393 4.646 -0.253 1 1 22 . 19 1 1 A 2 2 ARG CA C 2 56.327 55.226 1.101 1 1 23 . 19 1 1 A 2 2 ARG N N 2 124.285 120.534 3.751 1 1 24 . 19 1 1 A 3 3 SER H H 3 8.495 8.563 -0.068 1 1 25 . 19 1 1 A 3 3 SER HA H 3 4.491 4.883 -0.392 1 1 28 . 19 1 1 A 3 3 SER CB C 3 64.117 64.395 -0.278 1 1 29 . 19 1 1 A 3 3 SER N N 3 117.670 118.206 -0.536 1 1 30 . 19 1 1 A 4 4 ARG H H 4 8.672 7.832 0.840 1 1 31 . 19 1 1 A 4 4 ARG HA H 4 4.314 4.039 0.275 1 1 39 . 19 1 1 A 4 4 ARG CA C 4 56.779 59.025 -2.246 1 1 40 . 19 1 1 A 4 4 ARG N N 4 123.739 122.299 1.440 1 1 41 . 19 1 1 A 5 5 LYS H H 5 8.328 7.724 0.604 1 1 42 . 19 1 1 A 5 5 LYS HA H 5 4.127 4.157 -0.030 1 1 49 . 19 1 1 A 5 5 LYS CA C 5 57.431 58.069 -0.638 1 1 51 . 19 1 1 A 5 5 LYS N N 5 120.706 118.367 2.339 1 1 52 . 19 1 1 A 6 6 ASN H H 6 8.115 7.965 0.150 1 1 57 . 19 1 1 A 6 6 ASN CA C 6 53.066 52.471 0.595 1 1 58 . 19 1 1 A 6 6 ASN CB C 6 39.187 40.798 -1.611 1 1 59 . 19 1 1 A 6 6 ASN N N 6 117.807 113.196 4.611 1 1 60 . 19 1 1 A 7 7 GLY H H 7 8.499 8.665 -0.166 1 1 61 . 19 1 1 A 7 7 GLY HA2 H 7 4.051 4.230 -0.179 1 1 62 . 19 1 1 A 7 7 GLY HA3 H 7 4.051 4.318 -0.267 1 1 63 . 19 1 1 A 7 7 GLY CA C 7 46.153 45.081 1.072 1 1 64 . 19 1 1 A 7 7 GLY N N 7 108.804 106.886 1.918 1 1 65 . 19 1 1 A 8 8 ILE H H 8 8.496 8.987 -0.491 1 1 75 . 19 1 1 A 8 8 ILE CB C 8 38.082 37.654 0.428 1 1 76 . 19 1 1 A 8 8 ILE N N 8 121.041 125.325 -4.284 1 1 77 . 19 1 1 A 9 9 GLY H H 9 8.656 8.191 0.465 1 1 78 . 19 1 1 A 9 9 GLY HA2 H 9 3.671 3.989 -0.318 1 1 79 . 19 1 1 A 9 9 GLY HA3 H 9 3.671 4.022 -0.351 1 1 80 . 19 1 1 A 9 9 GLY CA C 9 47.324 45.393 1.931 1 1 81 . 19 1 1 A 9 9 GLY N N 9 108.767 110.003 -1.236 1 1 82 . 19 1 1 A 10 10 TYR H H 10 7.987 8.442 -0.455 1 1 83 . 19 1 1 A 10 10 TYR HA H 10 4.269 4.373 -0.104 1 1 90 . 19 1 1 A 10 10 TYR CA C 10 60.713 60.106 0.607 1 1 91 . 19 1 1 A 10 10 TYR CB C 10 38.354 37.548 0.806 1 1 92 . 19 1 1 A 10 10 TYR N N 10 121.261 120.082 1.179 1 1 93 . 19 1 1 A 11 11 ALA H H 11 8.020 7.372 0.648 1 1 94 . 19 1 1 A 11 11 ALA HA H 11 4.040 3.737 0.303 1 1 98 . 19 1 1 A 11 11 ALA CA C 11 55.355 54.765 0.590 1 1 99 . 19 1 1 A 11 11 ALA CB C 11 18.737 17.649 1.088 1 1 100 . 19 1 1 A 11 11 ALA N N 11 122.295 122.988 -0.693 1 1 101 . 19 1 1 A 12 12 ILE H H 12 8.308 8.091 0.217 1 1 102 . 19 1 1 A 12 12 ILE HA H 12 3.732 3.915 -0.183 1 1 111 . 19 1 1 A 12 12 ILE CB C 12 37.611 37.701 -0.090 1 1 112 . 19 1 1 A 12 12 ILE N N 12 116.853 118.984 -2.131 1 1 113 . 19 1 1 A 13 13 GLY H H 13 8.171 8.069 0.102 1 1 114 . 19 1 1 A 13 13 GLY HA2 H 13 3.744 3.787 -0.043 1 1 115 . 19 1 1 A 13 13 GLY HA3 H 13 3.744 3.807 -0.063 1 1 116 . 19 1 1 A 13 13 GLY CA C 13 47.343 47.209 0.134 1 1 117 . 19 1 1 A 13 13 GLY N N 13 107.089 109.627 -2.538 1 1 118 . 19 1 1 A 14 14 TYR H H 14 8.223 8.356 -0.133 1 1 119 . 19 1 1 A 14 14 TYR HA H 14 4.147 4.107 0.040 1 1 126 . 19 1 1 A 14 14 TYR CB C 14 38.415 39.074 -0.659 1 1 127 . 19 1 1 A 14 14 TYR N N 14 122.935 123.230 -0.295 1 1 128 . 19 1 1 A 15 15 ALA H H 15 8.345 7.931 0.414 1 1 129 . 19 1 1 A 15 15 ALA HA H 15 3.986 3.668 0.318 1 1 133 . 19 1 1 A 15 15 ALA CA C 15 55.067 54.865 0.202 1 1 134 . 19 1 1 A 15 15 ALA N N 15 121.882 121.334 0.548 1 1 135 . 19 1 1 A 16 16 PHE H H 16 8.668 8.761 -0.093 1 1 136 . 19 1 1 A 16 16 PHE HA H 16 4.138 4.223 -0.085 1 1 143 . 19 1 1 A 16 16 PHE CA C 16 61.116 60.849 0.267 1 1 144 . 19 1 1 A 16 16 PHE CB C 16 38.857 39.309 -0.452 1 1 145 . 19 1 1 A 16 16 PHE N N 16 116.563 119.299 -2.736 1 1 146 . 19 1 1 A 17 17 GLY H H 17 8.163 8.971 -0.808 1 1 147 . 19 1 1 A 17 17 GLY HA2 H 17 3.891 3.756 0.135 1 1 148 . 19 1 1 A 17 17 GLY HA3 H 17 3.891 3.838 0.053 1 1 149 . 19 1 1 A 17 17 GLY N N 17 105.893 106.789 -0.896 1 1 150 . 19 1 1 A 18 18 ALA H H 18 7.842 7.652 0.190 1 1 151 . 19 1 1 A 18 18 ALA HA H 18 4.035 3.981 0.054 1 1 155 . 19 1 1 A 18 18 ALA CA C 18 55.037 54.687 0.350 1 1 156 . 19 1 1 A 18 18 ALA CB C 18 18.223 18.554 -0.331 1 1 157 . 19 1 1 A 18 18 ALA N N 18 122.050 124.605 -2.555 1 1 158 . 19 1 1 A 19 19 VAL H H 19 8.010 7.892 0.118 1 1 159 . 19 1 1 A 19 19 VAL HA H 19 3.549 3.762 -0.213 1 1 167 . 19 1 1 A 19 19 VAL CA C 19 66.571 65.138 1.433 1 1 168 . 19 1 1 A 19 19 VAL CB C 19 31.436 31.563 -0.127 1 1 171 . 19 1 1 A 19 19 VAL N N 19 118.184 116.258 1.926 1 1 172 . 19 1 1 A 20 20 GLU H H 20 8.339 8.561 -0.222 1 1 173 . 19 1 1 A 20 20 GLU HA H 20 3.666 4.037 -0.371 1 1 178 . 19 1 1 A 20 20 GLU CA C 20 60.103 59.418 0.685 1 1 180 . 19 1 1 A 20 20 GLU N N 20 118.704 120.952 -2.248 1 1 181 . 19 1 1 A 21 21 ARG H H 21 7.939 8.200 -0.261 1 1 182 . 19 1 1 A 21 21 ARG HA H 21 3.935 4.015 -0.080 1 1 190 . 19 1 1 A 21 21 ARG N N 21 116.955 120.726 -3.771 1 1 191 . 19 1 1 A 22 22 ALA H H 22 7.784 7.507 0.277 1 1 192 . 19 1 1 A 22 22 ALA HA H 22 4.166 4.100 0.066 1 1 196 . 19 1 1 A 22 22 ALA CA C 22 54.645 55.153 -0.508 1 1 197 . 19 1 1 A 22 22 ALA CB C 22 18.724 18.383 0.341 1 1 198 . 19 1 1 A 22 22 ALA N N 22 121.252 122.318 -1.066 1 1 199 . 19 1 1 A 23 23 VAL H H 23 8.086 7.562 0.524 1 1 200 . 19 1 1 A 23 23 VAL HA H 23 3.872 3.823 0.049 1 1 208 . 19 1 1 A 23 23 VAL CA C 23 64.928 65.296 -0.368 1 1 209 . 19 1 1 A 23 23 VAL CB C 23 32.451 31.721 0.730 1 1 212 . 19 1 1 A 23 23 VAL N N 23 114.516 118.317 -3.801 1 1 213 . 19 1 1 A 24 24 LEU H H 24 8.060 7.383 0.677 1 1 223 . 19 1 1 A 24 24 LEU N N 24 118.014 118.608 -0.594 1 1 224 . 19 1 1 A 25 25 GLY H H 25 7.880 8.058 -0.178 1 1 225 . 19 1 1 A 25 25 GLY HA2 H 25 3.949 4.022 -0.073 1 1 226 . 19 1 1 A 25 25 GLY HA3 H 25 3.966 4.026 -0.060 1 1 227 . 19 1 1 A 25 25 GLY CA C 25 45.959 46.383 -0.424 1 1 228 . 19 1 1 A 25 25 GLY N N 25 106.969 106.725 0.244 1 1 229 . 19 1 1 A 26 26 GLY H H 26 8.123 8.006 0.117 1 1 230 . 19 1 1 A 26 26 GLY HA2 H 26 3.912 4.045 -0.133 1 1 231 . 19 1 1 A 26 26 GLY HA3 H 26 4.002 4.047 -0.045 1 1 232 . 19 1 1 A 26 26 GLY CA C 26 45.691 44.570 1.121 1 1 233 . 19 1 1 A 26 26 GLY N N 26 108.223 107.707 0.516 1 1 234 . 19 1 1 A 27 27 SER H H 27 8.201 8.356 -0.155 1 1 235 . 19 1 1 A 27 27 SER HA H 27 4.353 4.789 -0.436 1 1 238 . 19 1 1 A 27 27 SER CA C 27 59.117 57.108 2.009 1 1 239 . 19 1 1 A 27 27 SER CB C 27 63.770 65.642 -1.872 1 1 240 . 19 1 1 A 27 27 SER N N 27 115.317 115.262 0.055 1 1 241 . 19 1 1 A 28 28 ARG H H 28 8.155 8.687 -0.532 1 1 242 . 19 1 1 A 28 28 ARG HA H 28 4.258 3.817 0.441 1 1 250 . 19 1 1 A 28 28 ARG CA C 28 56.348 56.978 -0.630 1 1 251 . 19 1 1 A 28 28 ARG N N 28 121.519 118.173 3.346 1 1 252 . 19 1 1 A 29 29 ASP H H 29 8.167 8.495 -0.328 1 1 255 . 19 1 1 A 29 29 ASP CB C 29 38.462 40.662 -2.200 1 1 256 . 19 1 1 A 29 29 ASP N N 29 118.393 116.936 1.457 1 1 257 . 19 1 1 A 30 30 TYR H H 30 7.910 7.762 0.148 1 1 258 . 19 1 1 A 30 30 TYR HA H 30 4.484 5.007 -0.523 1 1 265 . 19 1 1 A 30 30 TYR CA C 30 58.097 56.303 1.794 1 1 266 . 19 1 1 A 30 30 TYR CB C 30 38.759 39.309 -0.550 1 1 267 . 19 1 1 A 30 30 TYR N N 30 119.859 120.611 -0.752 1 1 268 . 19 1 1 A 31 31 ASN H H 31 8.152 9.003 -0.851 1 1 269 . 19 1 1 A 31 31 ASN HA H 31 4.658 5.102 -0.444 1 1 274 . 19 1 1 A 31 31 ASN CA C 31 53.245 51.761 1.484 1 1 275 . 19 1 1 A 31 31 ASN CB C 31 39.156 39.270 -0.114 1 1 276 . 19 1 1 A 31 31 ASN N N 31 119.343 124.904 -5.561 1 1 13 . 20 1 1 A 2 2 ARG H H 2 8.864 8.399 0.465 1 1 14 . 20 1 1 A 2 2 ARG HA H 2 4.393 4.391 0.002 1 1 22 . 20 1 1 A 2 2 ARG CA C 2 56.327 57.397 -1.070 1 1 23 . 20 1 1 A 2 2 ARG N N 2 124.285 120.728 3.557 1 1 24 . 20 1 1 A 3 3 SER H H 3 8.495 8.195 0.300 1 1 25 . 20 1 1 A 3 3 SER HA H 3 4.491 4.543 -0.052 1 1 28 . 20 1 1 A 3 3 SER CB C 3 64.117 64.941 -0.824 1 1 29 . 20 1 1 A 3 3 SER N N 3 117.670 110.502 7.168 1 1 30 . 20 1 1 A 4 4 ARG H H 4 8.672 8.495 0.177 1 1 31 . 20 1 1 A 4 4 ARG HA H 4 4.314 4.253 0.061 1 1 39 . 20 1 1 A 4 4 ARG CA C 4 56.779 57.532 -0.753 1 1 40 . 20 1 1 A 4 4 ARG N N 4 123.739 120.938 2.801 1 1 41 . 20 1 1 A 5 5 LYS H H 5 8.328 7.768 0.560 1 1 42 . 20 1 1 A 5 5 LYS HA H 5 4.127 4.423 -0.296 1 1 49 . 20 1 1 A 5 5 LYS CA C 5 57.431 56.111 1.320 1 1 51 . 20 1 1 A 5 5 LYS N N 5 120.706 118.740 1.966 1 1 52 . 20 1 1 A 6 6 ASN H H 6 8.115 7.832 0.283 1 1 57 . 20 1 1 A 6 6 ASN CA C 6 53.066 53.153 -0.087 1 1 58 . 20 1 1 A 6 6 ASN CB C 6 39.187 39.871 -0.684 1 1 59 . 20 1 1 A 6 6 ASN N N 6 117.807 117.338 0.469 1 1 60 . 20 1 1 A 7 7 GLY H H 7 8.499 8.492 0.007 1 1 61 . 20 1 1 A 7 7 GLY HA2 H 7 4.051 4.091 -0.040 1 1 62 . 20 1 1 A 7 7 GLY HA3 H 7 4.051 4.256 -0.205 1 1 63 . 20 1 1 A 7 7 GLY CA C 7 46.153 45.718 0.435 1 1 64 . 20 1 1 A 7 7 GLY N N 7 108.804 111.368 -2.564 1 1 65 . 20 1 1 A 8 8 ILE H H 8 8.496 7.897 0.599 1 1 75 . 20 1 1 A 8 8 ILE CB C 8 38.082 39.343 -1.261 1 1 76 . 20 1 1 A 8 8 ILE N N 8 121.041 121.949 -0.908 1 1 77 . 20 1 1 A 9 9 GLY H H 9 8.656 8.504 0.152 1 1 78 . 20 1 1 A 9 9 GLY HA2 H 9 3.671 3.732 -0.061 1 1 79 . 20 1 1 A 9 9 GLY HA3 H 9 3.671 3.761 -0.090 1 1 80 . 20 1 1 A 9 9 GLY CA C 9 47.324 47.177 0.147 1 1 81 . 20 1 1 A 9 9 GLY N N 9 108.767 109.452 -0.685 1 1 82 . 20 1 1 A 10 10 TYR H H 10 7.987 8.239 -0.252 1 1 83 . 20 1 1 A 10 10 TYR HA H 10 4.269 4.418 -0.149 1 1 90 . 20 1 1 A 10 10 TYR CA C 10 60.713 60.075 0.638 1 1 91 . 20 1 1 A 10 10 TYR CB C 10 38.354 37.602 0.752 1 1 92 . 20 1 1 A 10 10 TYR N N 10 121.261 120.106 1.155 1 1 93 . 20 1 1 A 11 11 ALA H H 11 8.020 7.534 0.486 1 1 94 . 20 1 1 A 11 11 ALA HA H 11 4.040 3.699 0.341 1 1 98 . 20 1 1 A 11 11 ALA CA C 11 55.355 54.700 0.655 1 1 99 . 20 1 1 A 11 11 ALA CB C 11 18.737 18.150 0.587 1 1 100 . 20 1 1 A 11 11 ALA N N 11 122.295 123.137 -0.842 1 1 101 . 20 1 1 A 12 12 ILE H H 12 8.308 7.677 0.631 1 1 102 . 20 1 1 A 12 12 ILE HA H 12 3.732 3.896 -0.164 1 1 111 . 20 1 1 A 12 12 ILE CB C 12 37.611 37.721 -0.110 1 1 112 . 20 1 1 A 12 12 ILE N N 12 116.853 118.764 -1.911 1 1 113 . 20 1 1 A 13 13 GLY H H 13 8.171 8.359 -0.188 1 1 114 . 20 1 1 A 13 13 GLY HA2 H 13 3.744 3.820 -0.076 1 1 115 . 20 1 1 A 13 13 GLY HA3 H 13 3.744 3.828 -0.084 1 1 116 . 20 1 1 A 13 13 GLY CA C 13 47.343 47.242 0.101 1 1 117 . 20 1 1 A 13 13 GLY N N 13 107.089 109.333 -2.244 1 1 118 . 20 1 1 A 14 14 TYR H H 14 8.223 8.583 -0.360 1 1 119 . 20 1 1 A 14 14 TYR HA H 14 4.147 4.150 -0.003 1 1 126 . 20 1 1 A 14 14 TYR CB C 14 38.415 38.788 -0.373 1 1 127 . 20 1 1 A 14 14 TYR N N 14 122.935 123.273 -0.338 1 1 128 . 20 1 1 A 15 15 ALA H H 15 8.345 7.865 0.480 1 1 129 . 20 1 1 A 15 15 ALA HA H 15 3.986 3.654 0.332 1 1 133 . 20 1 1 A 15 15 ALA CA C 15 55.067 54.837 0.230 1 1 134 . 20 1 1 A 15 15 ALA N N 15 121.882 121.501 0.381 1 1 135 . 20 1 1 A 16 16 PHE H H 16 8.668 8.507 0.161 1 1 136 . 20 1 1 A 16 16 PHE HA H 16 4.138 4.234 -0.096 1 1 143 . 20 1 1 A 16 16 PHE CA C 16 61.116 60.592 0.524 1 1 144 . 20 1 1 A 16 16 PHE CB C 16 38.857 39.118 -0.261 1 1 145 . 20 1 1 A 16 16 PHE N N 16 116.563 118.989 -2.426 1 1 146 . 20 1 1 A 17 17 GLY H H 17 8.163 9.302 -1.139 1 1 147 . 20 1 1 A 17 17 GLY HA2 H 17 3.891 3.912 -0.021 1 1 148 . 20 1 1 A 17 17 GLY HA3 H 17 3.891 3.917 -0.026 1 1 149 . 20 1 1 A 17 17 GLY N N 17 105.893 106.809 -0.916 1 1 150 . 20 1 1 A 18 18 ALA H H 18 7.842 7.792 0.050 1 1 151 . 20 1 1 A 18 18 ALA HA H 18 4.035 3.985 0.050 1 1 155 . 20 1 1 A 18 18 ALA CA C 18 55.037 54.706 0.331 1 1 156 . 20 1 1 A 18 18 ALA CB C 18 18.223 18.714 -0.491 1 1 157 . 20 1 1 A 18 18 ALA N N 18 122.050 124.542 -2.492 1 1 158 . 20 1 1 A 19 19 VAL H H 19 8.010 7.558 0.452 1 1 159 . 20 1 1 A 19 19 VAL HA H 19 3.549 3.634 -0.085 1 1 167 . 20 1 1 A 19 19 VAL CA C 19 66.571 65.016 1.555 1 1 168 . 20 1 1 A 19 19 VAL CB C 19 31.436 31.465 -0.029 1 1 171 . 20 1 1 A 19 19 VAL N N 19 118.184 116.088 2.096 1 1 172 . 20 1 1 A 20 20 GLU H H 20 8.339 8.675 -0.336 1 1 173 . 20 1 1 A 20 20 GLU HA H 20 3.666 4.027 -0.361 1 1 178 . 20 1 1 A 20 20 GLU CA C 20 60.103 59.432 0.671 1 1 180 . 20 1 1 A 20 20 GLU N N 20 118.704 120.644 -1.940 1 1 181 . 20 1 1 A 21 21 ARG H H 21 7.939 8.690 -0.751 1 1 182 . 20 1 1 A 21 21 ARG HA H 21 3.935 4.029 -0.094 1 1 190 . 20 1 1 A 21 21 ARG N N 21 116.955 120.824 -3.869 1 1 191 . 20 1 1 A 22 22 ALA H H 22 7.784 7.840 -0.056 1 1 192 . 20 1 1 A 22 22 ALA HA H 22 4.166 4.081 0.085 1 1 196 . 20 1 1 A 22 22 ALA CA C 22 54.645 54.778 -0.133 1 1 197 . 20 1 1 A 22 22 ALA CB C 22 18.724 18.521 0.203 1 1 198 . 20 1 1 A 22 22 ALA N N 22 121.252 121.986 -0.734 1 1 199 . 20 1 1 A 23 23 VAL H H 23 8.086 7.713 0.373 1 1 200 . 20 1 1 A 23 23 VAL HA H 23 3.872 3.795 0.077 1 1 208 . 20 1 1 A 23 23 VAL CA C 23 64.928 65.778 -0.850 1 1 209 . 20 1 1 A 23 23 VAL CB C 23 32.451 31.675 0.776 1 1 212 . 20 1 1 A 23 23 VAL N N 23 114.516 118.641 -4.125 1 1 213 . 20 1 1 A 24 24 LEU H H 24 8.060 7.580 0.480 1 1 223 . 20 1 1 A 24 24 LEU N N 24 118.014 118.420 -0.406 1 1 224 . 20 1 1 A 25 25 GLY H H 25 7.880 7.968 -0.088 1 1 225 . 20 1 1 A 25 25 GLY HA2 H 25 3.949 3.981 -0.032 1 1 226 . 20 1 1 A 25 25 GLY HA3 H 25 3.966 3.981 -0.015 1 1 227 . 20 1 1 A 25 25 GLY CA C 25 45.959 45.396 0.563 1 1 228 . 20 1 1 A 25 25 GLY N N 25 106.969 108.464 -1.495 1 1 229 . 20 1 1 A 26 26 GLY H H 26 8.123 8.491 -0.368 1 1 230 . 20 1 1 A 26 26 GLY HA2 H 26 3.912 4.175 -0.263 1 1 231 . 20 1 1 A 26 26 GLY HA3 H 26 4.002 4.178 -0.176 1 1 232 . 20 1 1 A 26 26 GLY CA C 26 45.691 46.150 -0.459 1 1 233 . 20 1 1 A 26 26 GLY N N 26 108.223 111.193 -2.970 1 1 234 . 20 1 1 A 27 27 SER H H 27 8.201 8.236 -0.035 1 1 235 . 20 1 1 A 27 27 SER HA H 27 4.353 5.074 -0.721 1 1 238 . 20 1 1 A 27 27 SER CA C 27 59.117 57.497 1.620 1 1 239 . 20 1 1 A 27 27 SER CB C 27 63.770 65.459 -1.689 1 1 240 . 20 1 1 A 27 27 SER N N 27 115.317 113.339 1.978 1 1 241 . 20 1 1 A 28 28 ARG H H 28 8.155 8.789 -0.634 1 1 242 . 20 1 1 A 28 28 ARG HA H 28 4.258 5.303 -1.045 1 1 250 . 20 1 1 A 28 28 ARG CA C 28 56.348 55.039 1.309 1 1 251 . 20 1 1 A 28 28 ARG N N 28 121.519 119.434 2.085 1 1 252 . 20 1 1 A 29 29 ASP H H 29 8.167 9.015 -0.848 1 1 255 . 20 1 1 A 29 29 ASP CB C 29 38.462 41.106 -2.644 1 1 256 . 20 1 1 A 29 29 ASP N N 29 118.393 123.255 -4.862 1 1 257 . 20 1 1 A 30 30 TYR H H 30 7.910 8.466 -0.556 1 1 258 . 20 1 1 A 30 30 TYR HA H 30 4.484 4.646 -0.162 1 1 265 . 20 1 1 A 30 30 TYR CA C 30 58.097 56.927 1.170 1 1 266 . 20 1 1 A 30 30 TYR CB C 30 38.759 38.764 -0.005 1 1 267 . 20 1 1 A 30 30 TYR N N 30 119.859 122.046 -2.187 1 1 268 . 20 1 1 A 31 31 ASN H H 31 8.152 7.860 0.292 1 1 269 . 20 1 1 A 31 31 ASN HA H 31 4.658 5.109 -0.451 1 1 274 . 20 1 1 A 31 31 ASN CA C 31 53.245 52.101 1.144 1 1 275 . 20 1 1 A 31 31 ASN CB C 31 39.156 39.481 -0.325 1 1 276 . 20 1 1 A 31 31 ASN N N 31 119.343 117.943 1.400 1 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Assigned_chem_shift_list_ID _SPARTA_output.Conformer_ID _SPARTA_output.Entity_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Entity_delta_chem_shifts_ID 1 1 1 1 "RMS(OBS, PRED)" C 0 0.000 1 2 1 1 1 "RMS(OBS, PRED)" CA 22 1.024 1 3 1 1 1 "RMS(OBS, PRED)" CB 16 1.479 1 4 1 1 1 "RMS(OBS, PRED)" H 30 0.500 1 5 1 1 1 "RMS(OBS, PRED)" HA 32 0.209 1 6 1 1 1 "RMS(OBS, PRED)" N 30 2.523 1 7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1 8 1 2 1 "RMS(OBS, PRED)" CA 22 0.822 1 9 1 2 1 "RMS(OBS, PRED)" CB 16 1.751 1 10 1 2 1 "RMS(OBS, PRED)" H 30 0.470 1 11 1 2 1 "RMS(OBS, PRED)" HA 32 0.263 1 12 1 2 1 "RMS(OBS, PRED)" N 30 2.608 1 13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1 14 1 3 1 "RMS(OBS, PRED)" CA 22 0.967 1 15 1 3 1 "RMS(OBS, PRED)" CB 16 1.194 1 16 1 3 1 "RMS(OBS, PRED)" H 30 0.482 1 17 1 3 1 "RMS(OBS, PRED)" HA 32 0.283 1 18 1 3 1 "RMS(OBS, PRED)" N 30 2.664 1 19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1 20 1 4 1 "RMS(OBS, PRED)" CA 22 1.180 1 21 1 4 1 "RMS(OBS, PRED)" CB 16 1.319 1 22 1 4 1 "RMS(OBS, PRED)" H 30 0.416 1 23 1 4 1 "RMS(OBS, PRED)" HA 32 0.187 1 24 1 4 1 "RMS(OBS, PRED)" N 30 2.181 1 25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1 26 1 5 1 "RMS(OBS, PRED)" CA 22 1.062 1 27 1 5 1 "RMS(OBS, PRED)" CB 16 1.412 1 28 1 5 1 "RMS(OBS, PRED)" H 30 0.410 1 29 1 5 1 "RMS(OBS, PRED)" HA 32 0.269 1 30 1 5 1 "RMS(OBS, PRED)" N 30 2.481 1 31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1 32 1 6 1 "RMS(OBS, PRED)" CA 22 0.946 1 33 1 6 1 "RMS(OBS, PRED)" CB 16 1.330 1 34 1 6 1 "RMS(OBS, PRED)" H 30 0.548 1 35 1 6 1 "RMS(OBS, PRED)" HA 32 0.263 1 36 1 6 1 "RMS(OBS, PRED)" N 30 2.488 1 37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1 38 1 7 1 "RMS(OBS, PRED)" CA 22 0.964 1 39 1 7 1 "RMS(OBS, PRED)" CB 16 1.308 1 40 1 7 1 "RMS(OBS, PRED)" H 30 0.439 1 41 1 7 1 "RMS(OBS, PRED)" HA 32 0.220 1 42 1 7 1 "RMS(OBS, PRED)" N 30 2.396 1 43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1 44 1 8 1 "RMS(OBS, PRED)" CA 22 1.010 1 45 1 8 1 "RMS(OBS, PRED)" CB 16 1.350 1 46 1 8 1 "RMS(OBS, PRED)" H 30 0.477 1 47 1 8 1 "RMS(OBS, PRED)" HA 32 0.309 1 48 1 8 1 "RMS(OBS, PRED)" N 30 2.489 1 49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1 50 1 9 1 "RMS(OBS, PRED)" CA 22 0.901 1 51 1 9 1 "RMS(OBS, PRED)" CB 16 1.233 1 52 1 9 1 "RMS(OBS, PRED)" H 30 0.454 1 53 1 9 1 "RMS(OBS, PRED)" HA 32 0.258 1 54 1 9 1 "RMS(OBS, PRED)" N 30 3.265 1 55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1 56 1 10 1 "RMS(OBS, PRED)" CA 22 1.023 1 57 1 10 1 "RMS(OBS, PRED)" CB 16 1.716 1 58 1 10 1 "RMS(OBS, PRED)" H 30 0.501 1 59 1 10 1 "RMS(OBS, PRED)" HA 32 0.262 1 60 1 10 1 "RMS(OBS, PRED)" N 30 2.584 1 61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1 62 1 11 1 "RMS(OBS, PRED)" CA 22 0.856 1 63 1 11 1 "RMS(OBS, PRED)" CB 16 1.696 1 64 1 11 1 "RMS(OBS, PRED)" H 30 0.391 1 65 1 11 1 "RMS(OBS, PRED)" HA 32 0.234 1 66 1 11 1 "RMS(OBS, PRED)" N 30 2.546 1 67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1 68 1 12 1 "RMS(OBS, PRED)" CA 22 1.283 1 69 1 12 1 "RMS(OBS, PRED)" CB 16 1.757 1 70 1 12 1 "RMS(OBS, PRED)" H 30 0.480 1 71 1 12 1 "RMS(OBS, PRED)" HA 32 0.207 1 72 1 12 1 "RMS(OBS, PRED)" N 30 2.624 1 73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1 74 1 13 1 "RMS(OBS, PRED)" CA 22 1.168 1 75 1 13 1 "RMS(OBS, PRED)" CB 16 1.620 1 76 1 13 1 "RMS(OBS, PRED)" H 30 0.393 1 77 1 13 1 "RMS(OBS, PRED)" HA 32 0.229 1 78 1 13 1 "RMS(OBS, PRED)" N 30 2.317 1 79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1 80 1 14 1 "RMS(OBS, PRED)" CA 22 1.078 1 81 1 14 1 "RMS(OBS, PRED)" CB 16 1.760 1 82 1 14 1 "RMS(OBS, PRED)" H 30 0.425 1 83 1 14 1 "RMS(OBS, PRED)" HA 32 0.208 1 84 1 14 1 "RMS(OBS, PRED)" N 30 2.892 1 85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1 86 1 15 1 "RMS(OBS, PRED)" CA 22 1.309 1 87 1 15 1 "RMS(OBS, PRED)" CB 16 1.711 1 88 1 15 1 "RMS(OBS, PRED)" H 30 0.482 1 89 1 15 1 "RMS(OBS, PRED)" HA 32 0.278 1 90 1 15 1 "RMS(OBS, PRED)" N 30 2.812 1 91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1 92 1 16 1 "RMS(OBS, PRED)" CA 22 1.098 1 93 1 16 1 "RMS(OBS, PRED)" CB 16 1.159 1 94 1 16 1 "RMS(OBS, PRED)" H 30 0.463 1 95 1 16 1 "RMS(OBS, PRED)" HA 32 0.263 1 96 1 16 1 "RMS(OBS, PRED)" N 30 2.811 1 97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1 98 1 17 1 "RMS(OBS, PRED)" CA 22 1.041 1 99 1 17 1 "RMS(OBS, PRED)" CB 16 1.827 1 100 1 17 1 "RMS(OBS, PRED)" H 30 0.466 1 101 1 17 1 "RMS(OBS, PRED)" HA 32 0.309 1 102 1 17 1 "RMS(OBS, PRED)" N 30 2.140 1 103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1 104 1 18 1 "RMS(OBS, PRED)" CA 22 1.090 1 105 1 18 1 "RMS(OBS, PRED)" CB 16 1.564 1 106 1 18 1 "RMS(OBS, PRED)" H 30 0.467 1 107 1 18 1 "RMS(OBS, PRED)" HA 32 0.199 1 108 1 18 1 "RMS(OBS, PRED)" N 30 2.713 1 109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1 110 1 19 1 "RMS(OBS, PRED)" CA 22 1.135 1 111 1 19 1 "RMS(OBS, PRED)" CB 16 0.992 1 112 1 19 1 "RMS(OBS, PRED)" H 30 0.429 1 113 1 19 1 "RMS(OBS, PRED)" HA 32 0.253 1 114 1 19 1 "RMS(OBS, PRED)" N 30 2.483 1 115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1 116 1 20 1 "RMS(OBS, PRED)" CA 22 0.876 1 117 1 20 1 "RMS(OBS, PRED)" CB 16 0.990 1 118 1 20 1 "RMS(OBS, PRED)" H 30 0.471 1 119 1 20 1 "RMS(OBS, PRED)" HA 32 0.287 1 120 1 20 1 "RMS(OBS, PRED)" N 30 2.615 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 13 . 1 1 A 2 2 ARG H H 2 8.864 8.493 0.371 2 1 14 . 1 1 A 2 2 ARG HA H 2 4.393 4.360 0.033 2 1 22 . 1 1 A 2 2 ARG CA C 2 56.327 56.039 0.288 2 1 23 . 1 1 A 2 2 ARG N N 2 124.285 121.263 3.022 2 1 24 . 1 1 A 3 3 SER H H 3 8.495 8.215 0.280 2 1 25 . 1 1 A 3 3 SER HA H 3 4.491 4.472 0.019 2 1 28 . 1 1 A 3 3 SER CB C 3 64.117 63.946 0.171 2 1 29 . 1 1 A 3 3 SER N N 3 117.670 114.920 2.750 2 1 30 . 1 1 A 4 4 ARG H H 4 8.672 7.995 0.677 2 1 31 . 1 1 A 4 4 ARG HA H 4 4.314 4.212 0.102 2 1 39 . 1 1 A 4 4 ARG CA C 4 56.779 57.902 -1.123 2 1 40 . 1 1 A 4 4 ARG N N 4 123.739 120.837 2.902 2 1 41 . 1 1 A 5 5 LYS H H 5 8.328 7.815 0.513 2 1 42 . 1 1 A 5 5 LYS HA H 5 4.127 4.241 -0.114 2 1 49 . 1 1 A 5 5 LYS CA C 5 57.431 57.758 -0.327 2 1 51 . 1 1 A 5 5 LYS N N 5 120.706 118.299 2.407 2 1 52 . 1 1 A 6 6 ASN H H 6 8.115 7.950 0.165 2 1 57 . 1 1 A 6 6 ASN CA C 6 53.066 53.442 -0.376 2 1 58 . 1 1 A 6 6 ASN CB C 6 39.187 39.069 0.118 2 1 59 . 1 1 A 6 6 ASN N N 6 117.807 116.132 1.675 2 1 60 . 1 1 A 7 7 GLY H H 7 8.499 8.382 0.117 2 1 61 . 1 1 A 7 7 GLY HA2 H 7 4.051 4.148 -0.097 2 1 62 . 1 1 A 7 7 GLY HA3 H 7 4.051 4.262 -0.211 2 1 63 . 1 1 A 7 7 GLY CA C 7 46.153 45.547 0.605 2 1 64 . 1 1 A 7 7 GLY N N 7 108.804 109.849 -1.045 2 1 65 . 1 1 A 8 8 ILE H H 8 8.496 8.323 0.173 2 1 75 . 1 1 A 8 8 ILE CB C 8 38.082 38.885 -0.803 2 1 76 . 1 1 A 8 8 ILE N N 8 121.041 122.567 -1.526 2 1 77 . 1 1 A 9 9 GLY H H 9 8.656 8.344 0.312 2 1 78 . 1 1 A 9 9 GLY HA2 H 9 3.671 3.849 -0.177 2 1 79 . 1 1 A 9 9 GLY HA3 H 9 3.671 3.878 -0.207 2 1 80 . 1 1 A 9 9 GLY CA C 9 47.324 46.348 0.976 2 1 81 . 1 1 A 9 9 GLY N N 9 108.767 109.612 -0.845 2 1 82 . 1 1 A 10 10 TYR H H 10 7.987 8.327 -0.340 2 1 83 . 1 1 A 10 10 TYR HA H 10 4.269 4.390 -0.121 2 1 90 . 1 1 A 10 10 TYR CA C 10 60.713 60.107 0.606 2 1 91 . 1 1 A 10 10 TYR CB C 10 38.354 37.584 0.770 2 1 92 . 1 1 A 10 10 TYR N N 10 121.261 120.128 1.133 2 1 93 . 1 1 A 11 11 ALA H H 11 8.020 7.467 0.553 2 1 94 . 1 1 A 11 11 ALA HA H 11 4.040 3.628 0.412 2 1 98 . 1 1 A 11 11 ALA CA C 11 55.355 54.695 0.660 2 1 99 . 1 1 A 11 11 ALA CB C 11 18.737 17.988 0.749 2 1 100 . 1 1 A 11 11 ALA N N 11 122.295 123.195 -0.900 2 1 101 . 1 1 A 12 12 ILE H H 12 8.308 7.866 0.442 2 1 102 . 1 1 A 12 12 ILE HA H 12 3.732 3.902 -0.170 2 1 111 . 1 1 A 12 12 ILE CB C 12 37.611 37.689 -0.078 2 1 112 . 1 1 A 12 12 ILE N N 12 116.853 118.845 -1.992 2 1 113 . 1 1 A 13 13 GLY H H 13 8.171 8.224 -0.053 2 1 114 . 1 1 A 13 13 GLY HA2 H 13 3.744 3.796 -0.052 2 1 115 . 1 1 A 13 13 GLY HA3 H 13 3.744 3.808 -0.065 2 1 116 . 1 1 A 13 13 GLY CA C 13 47.343 47.227 0.116 2 1 117 . 1 1 A 13 13 GLY N N 13 107.089 109.461 -2.372 2 1 118 . 1 1 A 14 14 TYR H H 14 8.223 8.530 -0.307 2 1 119 . 1 1 A 14 14 TYR HA H 14 4.147 4.128 0.019 2 1 126 . 1 1 A 14 14 TYR CB C 14 38.415 38.921 -0.506 2 1 127 . 1 1 A 14 14 TYR N N 14 122.935 123.173 -0.238 2 1 128 . 1 1 A 15 15 ALA H H 15 8.345 8.148 0.197 2 1 129 . 1 1 A 15 15 ALA HA H 15 3.986 3.768 0.218 2 1 133 . 1 1 A 15 15 ALA CA C 15 55.067 54.958 0.109 2 1 134 . 1 1 A 15 15 ALA N N 15 121.882 121.498 0.384 2 1 135 . 1 1 A 16 16 PHE H H 16 8.668 8.612 0.056 2 1 136 . 1 1 A 16 16 PHE HA H 16 4.138 4.239 -0.102 2 1 143 . 1 1 A 16 16 PHE CA C 16 61.116 60.855 0.261 2 1 144 . 1 1 A 16 16 PHE CB C 16 38.857 39.230 -0.373 2 1 145 . 1 1 A 16 16 PHE N N 16 116.563 119.327 -2.764 2 1 146 . 1 1 A 17 17 GLY H H 17 8.163 9.077 -0.914 2 1 147 . 1 1 A 17 17 GLY HA2 H 17 3.891 3.854 0.037 2 1 148 . 1 1 A 17 17 GLY HA3 H 17 3.891 3.888 0.003 2 1 149 . 1 1 A 17 17 GLY N N 17 105.893 106.835 -0.942 2 1 150 . 1 1 A 18 18 ALA H H 18 7.842 7.740 0.102 2 1 151 . 1 1 A 18 18 ALA HA H 18 4.035 3.945 0.090 2 1 155 . 1 1 A 18 18 ALA CA C 18 55.037 54.669 0.368 2 1 156 . 1 1 A 18 18 ALA CB C 18 18.223 18.617 -0.394 2 1 157 . 1 1 A 18 18 ALA N N 18 122.050 124.526 -2.476 2 1 158 . 1 1 A 19 19 VAL H H 19 8.010 7.719 0.291 2 1 159 . 1 1 A 19 19 VAL HA H 19 3.549 3.735 -0.186 2 1 167 . 1 1 A 19 19 VAL CA C 19 66.571 65.072 1.499 2 1 168 . 1 1 A 19 19 VAL CB C 19 31.436 31.506 -0.070 2 1 171 . 1 1 A 19 19 VAL N N 19 118.184 116.351 1.833 2 1 172 . 1 1 A 20 20 GLU H H 20 8.339 8.591 -0.252 2 1 173 . 1 1 A 20 20 GLU HA H 20 3.666 4.039 -0.373 2 1 178 . 1 1 A 20 20 GLU CA C 20 60.103 59.422 0.681 2 1 180 . 1 1 A 20 20 GLU N N 20 118.704 120.609 -1.906 2 1 181 . 1 1 A 21 21 ARG H H 21 7.939 8.327 -0.388 2 1 182 . 1 1 A 21 21 ARG HA H 21 3.935 4.013 -0.078 2 1 190 . 1 1 A 21 21 ARG N N 21 116.955 120.810 -3.855 2 1 191 . 1 1 A 22 22 ALA H H 22 7.784 7.663 0.121 2 1 192 . 1 1 A 22 22 ALA HA H 22 4.166 4.064 0.102 2 1 196 . 1 1 A 22 22 ALA CA C 22 54.645 55.064 -0.419 2 1 197 . 1 1 A 22 22 ALA CB C 22 18.724 18.362 0.362 2 1 198 . 1 1 A 22 22 ALA N N 22 121.252 122.030 -0.778 2 1 199 . 1 1 A 23 23 VAL H H 23 8.086 7.761 0.325 2 1 200 . 1 1 A 23 23 VAL HA H 23 3.872 3.711 0.161 2 1 208 . 1 1 A 23 23 VAL CA C 23 64.928 66.027 -1.099 2 1 209 . 1 1 A 23 23 VAL CB C 23 32.451 31.701 0.750 2 1 212 . 1 1 A 23 23 VAL N N 23 114.516 118.429 -3.913 2 1 213 . 1 1 A 24 24 LEU H H 24 8.060 7.636 0.424 2 1 223 . 1 1 A 24 24 LEU N N 24 118.014 118.905 -0.891 2 1 224 . 1 1 A 25 25 GLY H H 25 7.880 8.029 -0.149 2 1 225 . 1 1 A 25 25 GLY HA2 H 25 3.949 3.995 -0.046 2 1 226 . 1 1 A 25 25 GLY HA3 H 25 3.966 3.997 -0.030 2 1 227 . 1 1 A 25 25 GLY CA C 25 45.959 45.820 0.139 2 1 228 . 1 1 A 25 25 GLY N N 25 106.969 107.121 -0.152 2 1 229 . 1 1 A 26 26 GLY H H 26 8.123 8.133 -0.010 2 1 230 . 1 1 A 26 26 GLY HA2 H 26 3.912 4.113 -0.201 2 1 231 . 1 1 A 26 26 GLY HA3 H 26 4.002 4.115 -0.113 2 1 232 . 1 1 A 26 26 GLY CA C 26 45.691 45.718 -0.027 2 1 233 . 1 1 A 26 26 GLY N N 26 108.223 109.131 -0.908 2 1 234 . 1 1 A 27 27 SER H H 27 8.201 8.479 -0.278 2 1 235 . 1 1 A 27 27 SER HA H 27 4.353 4.913 -0.560 2 1 238 . 1 1 A 27 27 SER CA C 27 59.117 57.136 1.981 2 1 239 . 1 1 A 27 27 SER CB C 27 63.770 65.883 -2.113 2 1 240 . 1 1 A 27 27 SER N N 27 115.317 116.175 -0.858 2 1 241 . 1 1 A 28 28 ARG H H 28 8.155 8.712 -0.557 2 1 242 . 1 1 A 28 28 ARG HA H 28 4.258 4.500 -0.242 2 1 250 . 1 1 A 28 28 ARG CA C 28 56.348 56.090 0.258 2 1 251 . 1 1 A 28 28 ARG N N 28 121.519 119.950 1.569 2 1 252 . 1 1 A 29 29 ASP H H 29 8.167 8.643 -0.476 2 1 255 . 1 1 A 29 29 ASP CB C 29 38.462 41.892 -3.430 2 1 256 . 1 1 A 29 29 ASP N N 29 118.393 120.716 -2.323 2 1 257 . 1 1 A 30 30 TYR H H 30 7.910 7.984 -0.074 2 1 258 . 1 1 A 30 30 TYR HA H 30 4.484 4.743 -0.259 2 1 265 . 1 1 A 30 30 TYR CA C 30 58.097 57.358 0.739 2 1 266 . 1 1 A 30 30 TYR CB C 30 38.759 39.515 -0.756 2 1 267 . 1 1 A 30 30 TYR N N 30 119.859 117.533 2.326 2 1 268 . 1 1 A 31 31 ASN H H 31 8.152 8.500 -0.348 2 1 269 . 1 1 A 31 31 ASN HA H 31 4.658 4.819 -0.161 2 1 274 . 1 1 A 31 31 ASN CA C 31 53.245 53.090 0.154 2 1 275 . 1 1 A 31 31 ASN CB C 31 39.156 38.848 0.308 2 1 276 . 1 1 A 31 31 ASN N N 31 119.343 119.899 -0.556 2 stop_ save_