data_19684 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19684 save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 19684 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_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.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 GLY N N 2 113.935 113.935 114.245 -0.310 19684 2 1 1 . 1 1 2 2 GLY CA C 2 43.362 43.362 45.555 -2.193 19684 3 1 1 . 1 1 2 2 GLY H H 2 8.251 8.251 8.735 -0.484 19684 4 1 1 . 1 1 9 9 SER HA H 9 4.375 4.375 4.312 0.063 19684 5 1 1 . 1 1 9 9 SER CA C 9 58.422 58.422 59.633 -1.211 19684 6 1 1 . 1 1 9 9 SER CB C 9 63.552 63.552 63.324 0.228 19684 7 1 1 . 1 1 10 10 HIS HA H 10 4.622 4.622 4.805 -0.183 19684 8 1 1 . 1 1 10 10 HIS C C 10 174.853 174.853 173.662 1.191 19684 9 1 1 . 1 1 10 10 HIS CA C 10 55.967 55.967 55.410 0.557 19684 10 1 1 . 1 1 10 10 HIS CB C 10 30.242 30.242 31.378 -1.136 19684 11 1 1 . 1 1 11 11 MET N N 11 121.242 121.242 119.775 1.467 19684 12 1 1 . 1 1 11 11 MET HA H 11 4.432 4.432 4.660 -0.228 19684 13 1 1 . 1 1 11 11 MET C C 11 175.804 175.804 174.524 1.280 19684 14 1 1 . 1 1 11 11 MET CA C 11 55.487 55.487 55.128 0.359 19684 15 1 1 . 1 1 11 11 MET CB C 11 32.712 32.712 33.827 -1.115 19684 16 1 1 . 1 1 11 11 MET H H 11 8.210 8.210 8.445 -0.235 19684 17 1 1 . 1 1 12 12 ILE N N 12 122.708 122.708 123.157 -0.449 19684 18 1 1 . 1 1 12 12 ILE HA H 12 4.173 4.173 4.245 -0.072 19684 19 1 1 . 1 1 12 12 ILE C C 12 175.916 175.916 175.929 -0.013 19684 20 1 1 . 1 1 12 12 ILE CA C 12 60.878 60.878 61.053 -0.175 19684 21 1 1 . 1 1 12 12 ILE CB C 12 38.534 38.534 36.845 1.689 19684 22 1 1 . 1 1 12 12 ILE H H 12 8.236 8.236 7.813 0.423 19684 23 1 1 . 1 1 13 13 ARG N N 13 125.079 125.079 125.366 -0.287 19684 24 1 1 . 1 1 13 13 ARG HA H 13 4.472 4.472 3.921 0.551 19684 25 1 1 . 1 1 13 13 ARG C C 13 175.573 175.573 175.733 -0.160 19684 26 1 1 . 1 1 13 13 ARG CA C 13 55.645 55.645 56.921 -1.276 19684 27 1 1 . 1 1 13 13 ARG CB C 13 31.256 31.256 30.585 0.671 19684 28 1 1 . 1 1 13 13 ARG H H 13 8.386 8.386 8.476 -0.090 19684 29 1 1 . 1 1 14 14 SER N N 14 117.250 117.250 113.485 3.765 19684 30 1 1 . 1 1 14 14 SER HA H 14 4.441 4.441 4.169 0.272 19684 31 1 1 . 1 1 14 14 SER C C 14 174.090 174.090 173.580 0.510 19684 32 1 1 . 1 1 14 14 SER CA C 14 58.062 58.062 59.624 -1.562 19684 33 1 1 . 1 1 14 14 SER CB C 14 63.638 63.638 63.038 0.600 19684 34 1 1 . 1 1 14 14 SER H H 14 8.386 8.386 9.094 -0.708 19684 35 1 1 . 1 1 15 15 ARG N N 15 123.266 123.266 118.767 4.499 19684 36 1 1 . 1 1 15 15 ARG HA H 15 4.651 4.651 4.043 0.608 19684 37 1 1 . 1 1 15 15 ARG C C 15 174.913 174.913 176.040 -1.127 19684 38 1 1 . 1 1 15 15 ARG CA C 15 54.960 54.960 56.186 -1.226 19684 39 1 1 . 1 1 15 15 ARG CB C 15 31.574 31.574 31.016 0.558 19684 40 1 1 . 1 1 15 15 ARG H H 15 8.721 8.721 8.031 0.690 19684 41 1 1 . 1 1 16 16 LYS N N 16 120.105 120.105 120.485 -0.380 19684 42 1 1 . 1 1 16 16 LYS HA H 16 5.315 5.315 5.579 -0.264 19684 43 1 1 . 1 1 16 16 LYS C C 16 175.755 175.755 175.538 0.217 19684 44 1 1 . 1 1 16 16 LYS CA C 16 54.926 54.926 54.733 0.193 19684 45 1 1 . 1 1 16 16 LYS CB C 16 36.741 36.741 36.322 0.419 19684 46 1 1 . 1 1 16 16 LYS H H 16 8.406 8.406 8.523 -0.117 19684 47 1 1 . 1 1 17 17 ALA N N 17 118.564 118.564 124.600 -6.036 19684 48 1 1 . 1 1 17 17 ALA HA H 17 5.256 5.256 4.929 0.327 19684 49 1 1 . 1 1 17 17 ALA C C 17 173.884 173.884 175.059 -1.175 19684 50 1 1 . 1 1 17 17 ALA CA C 17 50.673 50.673 50.942 -0.269 19684 51 1 1 . 1 1 17 17 ALA CB C 17 23.580 23.580 23.044 0.536 19684 52 1 1 . 1 1 17 17 ALA H H 17 8.310 8.310 8.402 -0.092 19684 53 1 1 . 1 1 18 18 ARG N N 18 119.872 119.872 123.709 -3.837 19684 54 1 1 . 1 1 18 18 ARG HA H 18 5.755 5.755 5.012 0.743 19684 55 1 1 . 1 1 18 18 ARG C C 18 176.196 176.196 175.777 0.419 19684 56 1 1 . 1 1 18 18 ARG CA C 18 53.023 53.023 53.902 -0.879 19684 57 1 1 . 1 1 18 18 ARG CB C 18 34.603 34.603 33.227 1.376 19684 58 1 1 . 1 1 18 18 ARG H H 18 9.008 9.008 8.556 0.452 19684 59 1 1 . 1 1 19 19 ALA N N 19 127.577 127.577 130.579 -3.002 19684 60 1 1 . 1 1 19 19 ALA HA H 19 4.828 4.828 4.650 0.178 19684 61 1 1 . 1 1 19 19 ALA C C 19 178.887 178.887 177.619 1.268 19684 62 1 1 . 1 1 19 19 ALA CA C 19 53.215 53.215 52.544 0.671 19684 63 1 1 . 1 1 19 19 ALA CB C 19 21.164 21.164 18.924 2.240 19684 64 1 1 . 1 1 19 19 ALA H H 19 9.456 9.456 8.728 0.728 19684 65 1 1 . 1 1 20 20 VAL N N 20 120.989 120.989 120.912 0.077 19684 66 1 1 . 1 1 20 20 VAL HA H 20 4.233 4.233 4.196 0.037 19684 67 1 1 . 1 1 20 20 VAL C C 20 173.478 173.478 175.209 -1.731 19684 68 1 1 . 1 1 20 20 VAL CA C 20 61.659 61.659 62.908 -1.249 19684 69 1 1 . 1 1 20 20 VAL CB C 20 32.406 32.406 32.387 0.019 19684 70 1 1 . 1 1 20 20 VAL H H 20 9.261 9.261 8.486 0.775 19684 71 1 1 . 1 1 21 21 TYR N N 21 120.793 120.793 119.840 0.953 19684 72 1 1 . 1 1 21 21 TYR HA H 21 4.917 4.917 4.845 0.072 19684 73 1 1 . 1 1 21 21 TYR C C 21 171.768 171.768 173.445 -1.677 19684 74 1 1 . 1 1 21 21 TYR CA C 21 54.783 54.783 54.711 0.072 19684 75 1 1 . 1 1 21 21 TYR CB C 21 41.028 41.028 39.338 1.690 19684 76 1 1 . 1 1 21 21 TYR H H 21 7.740 7.740 8.001 -0.261 19684 77 1 1 . 1 1 22 22 PRO HA H 22 4.569 4.569 4.686 -0.117 19684 78 1 1 . 1 1 22 22 PRO C C 22 175.447 175.447 175.700 -0.253 19684 79 1 1 . 1 1 22 22 PRO CA C 22 61.784 61.784 62.375 -0.591 19684 80 1 1 . 1 1 22 22 PRO CB C 22 32.301 32.301 32.773 -0.472 19684 81 1 1 . 1 1 23 23 CYS N N 23 117.584 117.584 124.967 -7.383 19684 82 1 1 . 1 1 23 23 CYS HA H 23 4.369 4.369 4.596 -0.227 19684 83 1 1 . 1 1 23 23 CYS C C 23 173.409 173.409 173.672 -0.263 19684 84 1 1 . 1 1 23 23 CYS CA C 23 58.325 58.325 56.903 1.422 19684 85 1 1 . 1 1 23 23 CYS CB C 23 30.008 30.008 27.934 2.074 19684 86 1 1 . 1 1 23 23 CYS H H 23 8.265 8.265 7.961 0.304 19684 87 1 1 . 1 1 24 24 GLU N N 24 131.184 131.184 129.270 1.914 19684 88 1 1 . 1 1 24 24 GLU HA H 24 4.539 4.539 4.373 0.166 19684 89 1 1 . 1 1 24 24 GLU C C 24 174.814 174.814 175.231 -0.417 19684 90 1 1 . 1 1 24 24 GLU CA C 24 54.416 54.416 55.318 -0.902 19684 91 1 1 . 1 1 24 24 GLU CB C 24 30.172 30.172 28.681 1.490 19684 92 1 1 . 1 1 24 24 GLU H H 24 8.594 8.594 8.804 -0.210 19684 93 1 1 . 1 1 25 25 ALA N N 25 128.937 128.937 128.703 0.234 19684 94 1 1 . 1 1 25 25 ALA HA H 25 4.180 4.180 4.382 -0.202 19684 95 1 1 . 1 1 25 25 ALA C C 25 178.154 178.154 177.045 1.109 19684 96 1 1 . 1 1 25 25 ALA CA C 25 52.809 52.809 51.594 1.215 19684 97 1 1 . 1 1 25 25 ALA CB C 25 20.779 20.779 20.540 0.239 19684 98 1 1 . 1 1 25 25 ALA H H 25 8.555 8.555 7.894 0.661 19684 99 1 1 . 1 1 26 26 GLU N N 26 119.582 119.582 120.408 -0.826 19684 100 1 1 . 1 1 26 26 GLU HA H 26 4.268 4.268 4.366 -0.098 19684 101 1 1 . 1 1 26 26 GLU C C 26 175.916 175.916 176.539 -0.623 19684 102 1 1 . 1 1 26 26 GLU CA C 26 56.345 56.345 56.338 0.007 19684 103 1 1 . 1 1 26 26 GLU CB C 26 31.091 31.091 30.964 0.127 19684 104 1 1 . 1 1 26 26 GLU H H 26 8.613 8.613 8.931 -0.318 19684 105 1 1 . 1 1 27 27 HIS N N 27 115.533 115.533 121.168 -5.635 19684 106 1 1 . 1 1 27 27 HIS C C 27 175.986 175.986 175.801 0.185 19684 107 1 1 . 1 1 27 27 HIS CA C 27 54.711 54.711 55.455 -0.744 19684 108 1 1 . 1 1 27 27 HIS CB C 27 32.077 32.077 31.727 0.350 19684 109 1 1 . 1 1 27 27 HIS H H 27 7.418 7.418 7.969 -0.551 19684 110 1 1 . 1 1 28 28 SER HA H 28 4.255 4.255 4.074 0.181 19684 111 1 1 . 1 1 28 28 SER C C 28 174.619 174.619 175.677 -1.058 19684 112 1 1 . 1 1 28 28 SER CA C 28 60.985 60.985 61.149 -0.164 19684 113 1 1 . 1 1 28 28 SER CB C 28 62.890 62.890 62.892 -0.002 19684 114 1 1 . 1 1 29 29 SER N N 29 114.287 114.287 114.862 -0.575 19684 115 1 1 . 1 1 29 29 SER HA H 29 4.405 4.405 4.048 0.357 19684 116 1 1 . 1 1 29 29 SER C C 29 174.305 174.305 174.878 -0.573 19684 117 1 1 . 1 1 29 29 SER CA C 29 58.564 58.564 60.895 -2.332 19684 118 1 1 . 1 1 29 29 SER CB C 29 62.953 62.953 62.913 0.040 19684 119 1 1 . 1 1 29 29 SER H H 29 8.207 8.207 7.230 0.977 19684 120 1 1 . 1 1 30 30 GLU N N 30 122.312 122.312 121.201 1.111 19684 121 1 1 . 1 1 30 30 GLU HA H 30 4.690 4.690 4.362 0.328 19684 122 1 1 . 1 1 30 30 GLU C C 30 175.373 175.373 175.876 -0.503 19684 123 1 1 . 1 1 30 30 GLU CA C 30 54.894 54.894 55.977 -1.083 19684 124 1 1 . 1 1 30 30 GLU CB C 30 31.495 31.495 29.765 1.730 19684 125 1 1 . 1 1 30 30 GLU H H 30 7.798 7.798 7.236 0.562 19684 126 1 1 . 1 1 31 31 LEU N N 31 118.829 118.829 128.237 -9.408 19684 127 1 1 . 1 1 31 31 LEU HA H 31 4.686 4.686 4.481 0.205 19684 128 1 1 . 1 1 31 31 LEU C C 31 177.013 177.013 176.837 0.176 19684 129 1 1 . 1 1 31 31 LEU CA C 31 54.627 54.627 55.079 -0.452 19684 130 1 1 . 1 1 31 31 LEU CB C 31 43.640 43.640 42.565 1.075 19684 131 1 1 . 1 1 31 31 LEU H H 31 8.084 8.084 8.483 -0.399 19684 132 1 1 . 1 1 32 32 SER N N 32 115.422 115.422 119.337 -3.915 19684 133 1 1 . 1 1 32 32 SER HA H 32 4.863 4.863 5.431 -0.568 19684 134 1 1 . 1 1 32 32 SER C C 32 173.966 173.966 174.381 -0.415 19684 135 1 1 . 1 1 32 32 SER CA C 32 57.745 57.745 58.181 -0.436 19684 136 1 1 . 1 1 32 32 SER CB C 32 64.735 64.735 64.193 0.542 19684 137 1 1 . 1 1 32 32 SER H H 32 8.054 8.054 8.665 -0.611 19684 138 1 1 . 1 1 33 33 PHE N N 33 116.920 116.920 120.913 -3.993 19684 139 1 1 . 1 1 33 33 PHE HA H 33 4.889 4.889 4.874 0.015 19684 140 1 1 . 1 1 33 33 PHE C C 33 173.660 173.660 173.461 0.199 19684 141 1 1 . 1 1 33 33 PHE CA C 33 56.261 56.261 56.834 -0.573 19684 142 1 1 . 1 1 33 33 PHE CB C 33 39.272 39.272 41.344 -2.072 19684 143 1 1 . 1 1 33 33 PHE H H 33 8.697 8.697 8.514 0.183 19684 144 1 1 . 1 1 34 34 GLU N N 34 119.852 119.852 119.031 0.821 19684 145 1 1 . 1 1 34 34 GLU HA H 34 4.622 4.622 4.806 -0.184 19684 146 1 1 . 1 1 34 34 GLU C C 34 176.044 176.044 176.435 -0.391 19684 147 1 1 . 1 1 34 34 GLU CA C 34 53.759 53.759 54.254 -0.495 19684 148 1 1 . 1 1 34 34 GLU CB C 34 31.878 31.878 32.214 -0.336 19684 149 1 1 . 1 1 34 34 GLU H H 34 8.616 8.616 8.779 -0.163 19684 150 1 1 . 1 1 35 35 ILE N N 35 118.386 118.386 119.815 -1.429 19684 151 1 1 . 1 1 35 35 ILE HA H 35 3.173 3.173 3.882 -0.709 19684 152 1 1 . 1 1 35 35 ILE C C 35 177.205 177.205 177.569 -0.364 19684 153 1 1 . 1 1 35 35 ILE CA C 35 64.926 64.926 63.392 1.534 19684 154 1 1 . 1 1 35 35 ILE CB C 35 38.013 38.013 37.384 0.629 19684 155 1 1 . 1 1 35 35 ILE H H 35 8.428 8.428 8.508 -0.080 19684 156 1 1 . 1 1 36 36 GLY N N 36 114.528 114.528 116.192 -1.664 19684 157 1 1 . 1 1 36 36 GLY C C 36 173.669 173.669 174.157 -0.488 19684 158 1 1 . 1 1 36 36 GLY CA C 36 44.601 44.601 44.603 -0.002 19684 159 1 1 . 1 1 36 36 GLY H H 36 8.568 8.568 8.893 -0.325 19684 160 1 1 . 1 1 37 37 ALA N N 37 123.910 123.910 125.188 -1.278 19684 161 1 1 . 1 1 37 37 ALA HA H 37 3.975 3.975 4.065 -0.090 19684 162 1 1 . 1 1 37 37 ALA C C 37 175.106 175.106 176.330 -1.224 19684 163 1 1 . 1 1 37 37 ALA CA C 37 53.061 53.061 52.331 0.730 19684 164 1 1 . 1 1 37 37 ALA CB C 37 19.337 19.337 18.935 0.402 19684 165 1 1 . 1 1 37 37 ALA H H 37 7.564 7.564 7.408 0.156 19684 166 1 1 . 1 1 38 38 ILE N N 38 120.298 120.298 123.265 -2.967 19684 167 1 1 . 1 1 38 38 ILE HA H 38 4.867 4.867 4.794 0.073 19684 168 1 1 . 1 1 38 38 ILE C C 38 174.910 174.910 175.306 -0.396 19684 169 1 1 . 1 1 38 38 ILE CA C 38 58.050 58.050 59.028 -0.978 19684 170 1 1 . 1 1 38 38 ILE CB C 38 38.080 38.080 38.051 0.029 19684 171 1 1 . 1 1 38 38 ILE H H 38 7.843 7.843 7.747 0.096 19684 172 1 1 . 1 1 39 39 PHE N N 39 124.481 124.481 124.559 -0.078 19684 173 1 1 . 1 1 39 39 PHE HA H 39 4.889 4.889 5.156 -0.267 19684 174 1 1 . 1 1 39 39 PHE C C 39 175.106 175.106 175.110 -0.004 19684 175 1 1 . 1 1 39 39 PHE CA C 39 55.542 55.542 55.885 -0.343 19684 176 1 1 . 1 1 39 39 PHE CB C 39 42.173 42.173 41.979 0.194 19684 177 1 1 . 1 1 39 39 PHE H H 39 8.884 8.884 8.574 0.310 19684 178 1 1 . 1 1 40 40 GLU N N 40 117.747 117.747 121.525 -3.778 19684 179 1 1 . 1 1 40 40 GLU HA H 40 4.788 4.788 4.701 0.087 19684 180 1 1 . 1 1 40 40 GLU C C 40 175.797 175.797 176.867 -1.070 19684 181 1 1 . 1 1 40 40 GLU CA C 40 53.945 53.945 54.610 -0.665 19684 182 1 1 . 1 1 40 40 GLU CB C 40 32.928 32.928 31.212 1.716 19684 183 1 1 . 1 1 40 40 GLU H H 40 9.047 9.047 8.630 0.417 19684 184 1 1 . 1 1 41 41 ASP N N 41 120.461 120.461 123.966 -3.505 19684 185 1 1 . 1 1 41 41 ASP HA H 41 4.331 4.331 4.353 -0.022 19684 186 1 1 . 1 1 41 41 ASP C C 41 175.720 175.720 174.634 1.086 19684 187 1 1 . 1 1 41 41 ASP CA C 41 54.842 54.842 54.977 -0.136 19684 188 1 1 . 1 1 41 41 ASP CB C 41 39.241 39.241 40.321 -1.080 19684 189 1 1 . 1 1 41 41 ASP H H 41 8.875 8.875 8.496 0.379 19684 190 1 1 . 1 1 42 42 VAL N N 42 120.471 120.471 121.010 -0.539 19684 191 1 1 . 1 1 42 42 VAL HA H 42 4.788 4.788 4.296 0.492 19684 192 1 1 . 1 1 42 42 VAL C C 42 176.652 176.652 175.911 0.741 19684 193 1 1 . 1 1 42 42 VAL CA C 42 62.583 62.583 63.362 -0.779 19684 194 1 1 . 1 1 42 42 VAL CB C 42 31.408 31.408 31.878 -0.470 19684 195 1 1 . 1 1 42 42 VAL H H 42 8.932 8.932 7.494 1.438 19684 196 1 1 . 1 1 43 43 GLN N N 43 124.450 124.450 126.338 -1.888 19684 197 1 1 . 1 1 43 43 GLN HA H 43 4.859 4.859 4.745 0.114 19684 198 1 1 . 1 1 43 43 GLN C C 43 174.928 174.928 175.256 -0.328 19684 199 1 1 . 1 1 43 43 GLN CA C 43 53.436 53.436 53.671 -0.235 19684 200 1 1 . 1 1 43 43 GLN CB C 43 33.482 33.482 33.328 0.154 19684 201 1 1 . 1 1 43 43 GLN H H 43 9.057 9.057 8.756 0.301 19684 202 1 1 . 1 1 44 44 THR N N 44 116.345 116.345 116.613 -0.268 19684 203 1 1 . 1 1 44 44 THR HA H 44 4.149 4.149 4.315 -0.166 19684 204 1 1 . 1 1 44 44 THR C C 44 174.138 174.138 174.630 -0.492 19684 205 1 1 . 1 1 44 44 THR CA C 44 64.288 64.288 63.382 0.906 19684 206 1 1 . 1 1 44 44 THR CB C 44 69.164 69.164 69.165 -0.001 19684 207 1 1 . 1 1 44 44 THR H H 44 8.640 8.640 8.465 0.175 19684 208 1 1 . 1 1 45 45 SER N N 45 119.635 119.635 120.507 -0.872 19684 209 1 1 . 1 1 45 45 SER HA H 45 4.670 4.670 4.834 -0.164 19684 210 1 1 . 1 1 45 45 SER C C 45 174.304 174.304 175.816 -1.512 19684 211 1 1 . 1 1 45 45 SER CA C 45 57.064 57.064 56.500 0.564 19684 212 1 1 . 1 1 45 45 SER CB C 45 65.275 65.275 65.016 0.259 19684 213 1 1 . 1 1 45 45 SER H H 45 7.971 7.971 8.221 -0.250 19684 214 1 1 . 1 1 46 46 ARG N N 46 120.482 120.482 119.934 0.548 19684 215 1 1 . 1 1 46 46 ARG HA H 46 4.170 4.170 4.440 -0.270 19684 216 1 1 . 1 1 46 46 ARG C C 46 176.486 176.486 176.726 -0.240 19684 217 1 1 . 1 1 46 46 ARG CA C 46 57.675 57.675 56.968 0.707 19684 218 1 1 . 1 1 46 46 ARG CB C 46 30.019 30.019 30.337 -0.318 19684 219 1 1 . 1 1 46 46 ARG H H 46 8.491 8.491 8.679 -0.188 19684 220 1 1 . 1 1 47 47 GLU N N 47 121.489 121.489 123.133 -1.644 19684 221 1 1 . 1 1 47 47 GLU HA H 47 4.820 4.820 4.603 0.217 19684 222 1 1 . 1 1 47 47 GLU C C 47 173.926 173.926 174.789 -0.863 19684 223 1 1 . 1 1 47 47 GLU CA C 47 52.716 52.716 53.489 -0.773 19684 224 1 1 . 1 1 47 47 GLU CB C 47 30.039 30.039 29.129 0.910 19684 225 1 1 . 1 1 47 47 GLU H H 47 8.530 8.530 7.758 0.771 19684 226 1 1 . 1 1 48 48 PRO HA H 48 4.363 4.363 4.429 -0.066 19684 227 1 1 . 1 1 48 48 PRO C C 48 177.954 177.954 177.277 0.677 19684 228 1 1 . 1 1 48 48 PRO CA C 48 63.672 63.672 63.716 -0.044 19684 229 1 1 . 1 1 48 48 PRO CB C 48 31.798 31.798 32.166 -0.368 19684 230 1 1 . 1 1 49 49 GLY N N 49 110.220 110.220 111.088 -0.868 19684 231 1 1 . 1 1 49 49 GLY C C 49 174.196 174.196 173.721 0.475 19684 232 1 1 . 1 1 49 49 GLY CA C 49 44.965 44.965 45.000 -0.035 19684 233 1 1 . 1 1 49 49 GLY H H 49 8.660 8.660 8.635 0.025 19684 234 1 1 . 1 1 50 50 TRP N N 50 120.527 120.527 120.289 0.238 19684 235 1 1 . 1 1 50 50 TRP HA H 50 5.098 5.098 5.349 -0.251 19684 236 1 1 . 1 1 50 50 TRP C C 50 175.686 175.686 175.385 0.301 19684 237 1 1 . 1 1 50 50 TRP CA C 50 56.460 56.460 56.532 -0.072 19684 238 1 1 . 1 1 50 50 TRP CB C 50 31.745 31.745 31.357 0.388 19684 239 1 1 . 1 1 50 50 TRP H H 50 8.025 8.025 7.683 0.342 19684 240 1 1 . 1 1 51 51 LEU N N 51 123.575 123.575 119.045 4.530 19684 241 1 1 . 1 1 51 51 LEU HA H 51 4.966 4.966 5.159 -0.193 19684 242 1 1 . 1 1 51 51 LEU C C 51 175.162 175.162 175.589 -0.427 19684 243 1 1 . 1 1 51 51 LEU CA C 51 52.643 52.643 53.426 -0.783 19684 244 1 1 . 1 1 51 51 LEU CB C 51 44.214 44.214 46.011 -1.797 19684 245 1 1 . 1 1 51 51 LEU H H 51 9.635 9.635 9.204 0.431 19684 246 1 1 . 1 1 52 52 GLU N N 52 119.825 119.825 119.668 0.157 19684 247 1 1 . 1 1 52 52 GLU HA H 52 5.180 5.180 5.677 -0.497 19684 248 1 1 . 1 1 52 52 GLU C C 52 175.082 175.082 176.020 -0.938 19684 249 1 1 . 1 1 52 52 GLU CA C 52 54.693 54.693 54.587 0.106 19684 250 1 1 . 1 1 52 52 GLU CB C 52 32.735 32.735 33.172 -0.437 19684 251 1 1 . 1 1 52 52 GLU H H 52 9.144 9.144 8.871 0.273 19684 252 1 1 . 1 1 53 53 GLY N N 53 106.528 106.528 111.064 -4.536 19684 253 1 1 . 1 1 53 53 GLY C C 53 170.278 170.278 172.784 -2.506 19684 254 1 1 . 1 1 53 53 GLY CA C 53 45.500 45.500 45.106 0.394 19684 255 1 1 . 1 1 53 53 GLY H H 53 8.500 8.500 7.964 0.536 19684 256 1 1 . 1 1 54 54 THR N N 54 115.540 115.540 118.097 -2.557 19684 257 1 1 . 1 1 54 54 THR HA H 54 5.334 5.334 4.746 0.588 19684 258 1 1 . 1 1 54 54 THR C C 54 173.549 173.549 173.454 0.095 19684 259 1 1 . 1 1 54 54 THR CA C 54 61.186 61.186 62.885 -1.699 19684 260 1 1 . 1 1 54 54 THR CB C 54 69.935 69.935 70.207 -0.272 19684 261 1 1 . 1 1 54 54 THR H H 54 9.085 9.085 8.514 0.571 19684 262 1 1 . 1 1 55 55 LEU N N 55 128.613 128.613 128.589 0.024 19684 263 1 1 . 1 1 55 55 LEU HA H 55 4.842 4.842 4.849 -0.007 19684 264 1 1 . 1 1 55 55 LEU C C 55 176.045 176.045 175.992 0.053 19684 265 1 1 . 1 1 55 55 LEU CA C 55 53.387 53.387 54.402 -1.015 19684 266 1 1 . 1 1 55 55 LEU CB C 55 45.579 45.579 44.928 0.651 19684 267 1 1 . 1 1 55 55 LEU H H 55 9.368 9.368 8.703 0.665 19684 268 1 1 . 1 1 56 56 ASN N N 56 128.674 128.674 125.455 3.219 19684 269 1 1 . 1 1 56 56 ASN HA H 56 4.403 4.403 4.433 -0.030 19684 270 1 1 . 1 1 56 56 ASN C C 56 175.457 175.457 175.332 0.125 19684 271 1 1 . 1 1 56 56 ASN CA C 56 54.126 54.126 54.032 0.094 19684 272 1 1 . 1 1 56 56 ASN CB C 56 37.291 37.291 37.595 -0.304 19684 273 1 1 . 1 1 56 56 ASN H H 56 9.670 9.670 9.262 0.408 19684 274 1 1 . 1 1 57 57 GLY N N 57 102.683 102.683 103.613 -0.930 19684 275 1 1 . 1 1 57 57 GLY C C 57 173.175 173.175 173.187 -0.012 19684 276 1 1 . 1 1 57 57 GLY CA C 57 45.263 45.263 44.813 0.450 19684 277 1 1 . 1 1 57 57 GLY H H 57 8.441 8.441 8.241 0.200 19684 278 1 1 . 1 1 58 58 LYS N N 58 122.749 122.749 121.374 1.375 19684 279 1 1 . 1 1 58 58 LYS HA H 58 4.621 4.621 4.609 0.012 19684 280 1 1 . 1 1 58 58 LYS C C 58 173.237 173.237 174.960 -1.723 19684 281 1 1 . 1 1 58 58 LYS CA C 58 54.962 54.962 55.043 -0.081 19684 282 1 1 . 1 1 58 58 LYS CB C 58 34.303 34.303 34.990 -0.687 19684 283 1 1 . 1 1 58 58 LYS H H 58 7.847 7.847 7.768 0.079 19684 284 1 1 . 1 1 59 59 ARG N N 59 127.435 127.435 127.640 -0.205 19684 285 1 1 . 1 1 59 59 ARG HA H 59 5.417 5.417 5.339 0.078 19684 286 1 1 . 1 1 59 59 ARG C C 59 176.486 176.486 175.644 0.842 19684 287 1 1 . 1 1 59 59 ARG CA C 59 54.079 54.079 55.460 -1.381 19684 288 1 1 . 1 1 59 59 ARG CB C 59 31.815 31.815 32.304 -0.489 19684 289 1 1 . 1 1 59 59 ARG H H 59 8.741 8.741 8.734 0.007 19684 290 1 1 . 1 1 60 60 GLY N N 60 112.447 112.447 109.914 2.533 19684 291 1 1 . 1 1 60 60 GLY C C 60 170.709 170.709 172.283 -1.574 19684 292 1 1 . 1 1 60 60 GLY CA C 60 45.648 45.648 44.975 0.673 19684 293 1 1 . 1 1 60 60 GLY H H 60 8.745 8.745 7.894 0.851 19684 294 1 1 . 1 1 61 61 LEU N N 61 117.631 117.631 121.985 -4.354 19684 295 1 1 . 1 1 61 61 LEU HA H 61 5.330 5.330 4.685 0.645 19684 296 1 1 . 1 1 61 61 LEU C C 61 178.461 178.461 176.734 1.727 19684 297 1 1 . 1 1 61 61 LEU CA C 61 54.784 54.784 55.612 -0.828 19684 298 1 1 . 1 1 61 61 LEU CB C 61 44.075 44.075 41.981 2.094 19684 299 1 1 . 1 1 61 61 LEU H H 61 8.527 8.527 7.949 0.578 19684 300 1 1 . 1 1 62 62 ILE N N 62 121.463 121.463 125.348 -3.885 19684 301 1 1 . 1 1 62 62 ILE HA H 62 4.899 4.899 4.883 0.016 19684 302 1 1 . 1 1 62 62 ILE C C 62 172.776 172.776 173.784 -1.008 19684 303 1 1 . 1 1 62 62 ILE CA C 62 58.089 58.089 58.095 -0.006 19684 304 1 1 . 1 1 62 62 ILE CB C 62 43.821 43.821 40.699 3.122 19684 305 1 1 . 1 1 62 62 ILE H H 62 9.387 9.387 9.311 0.076 19684 306 1 1 . 1 1 63 63 PRO HA H 63 3.610 3.610 3.835 -0.225 19684 307 1 1 . 1 1 63 63 PRO C C 63 179.007 179.007 176.992 2.015 19684 308 1 1 . 1 1 63 63 PRO CA C 63 62.475 62.475 62.405 0.070 19684 309 1 1 . 1 1 63 63 PRO CB C 63 30.637 30.637 30.966 -0.330 19684 310 1 1 . 1 1 64 64 GLN N N 64 124.254 124.254 127.056 -2.802 19684 311 1 1 . 1 1 64 64 GLN HA H 64 3.624 3.624 3.843 -0.219 19684 312 1 1 . 1 1 64 64 GLN C C 64 176.210 176.210 177.776 -1.566 19684 313 1 1 . 1 1 64 64 GLN CA C 64 58.984 58.984 59.266 -0.282 19684 314 1 1 . 1 1 64 64 GLN CB C 64 28.212 28.212 28.556 -0.344 19684 315 1 1 . 1 1 64 64 GLN H H 64 8.045 8.045 7.966 0.079 19684 316 1 1 . 1 1 65 65 ASN N N 65 111.289 111.289 116.594 -5.305 19684 317 1 1 . 1 1 65 65 ASN HA H 65 4.722 4.722 4.633 0.089 19684 318 1 1 . 1 1 65 65 ASN C C 65 175.720 175.720 176.852 -1.132 19684 319 1 1 . 1 1 65 65 ASN CA C 65 53.734 53.734 55.452 -1.718 19684 320 1 1 . 1 1 65 65 ASN CB C 65 36.735 36.735 38.455 -1.720 19684 321 1 1 . 1 1 65 65 ASN H H 65 8.543 8.543 8.529 0.014 19684 322 1 1 . 1 1 66 66 TYR N N 66 118.333 118.333 115.995 2.338 19684 323 1 1 . 1 1 66 66 TYR HA H 66 4.906 4.906 4.943 -0.037 19684 324 1 1 . 1 1 66 66 TYR C C 66 175.641 175.641 174.968 0.673 19684 325 1 1 . 1 1 66 66 TYR CA C 66 57.121 57.121 56.507 0.614 19684 326 1 1 . 1 1 66 66 TYR CB C 66 37.682 37.682 38.806 -1.125 19684 327 1 1 . 1 1 66 66 TYR H H 66 7.919 7.919 7.763 0.156 19684 328 1 1 . 1 1 67 67 VAL N N 67 108.796 108.796 111.972 -3.176 19684 329 1 1 . 1 1 67 67 VAL HA H 67 5.441 5.441 4.939 0.502 19684 330 1 1 . 1 1 67 67 VAL C C 67 173.714 173.714 174.853 -1.139 19684 331 1 1 . 1 1 67 67 VAL CA C 67 57.990 57.990 58.893 -0.903 19684 332 1 1 . 1 1 67 67 VAL CB C 67 35.467 35.467 35.142 0.325 19684 333 1 1 . 1 1 67 67 VAL H H 67 7.341 7.341 7.313 0.028 19684 334 1 1 . 1 1 68 68 LYS N N 68 120.974 120.974 124.037 -3.063 19684 335 1 1 . 1 1 68 68 LYS HA H 68 4.692 4.692 4.617 0.075 19684 336 1 1 . 1 1 68 68 LYS C C 68 175.962 175.962 175.860 0.102 19684 337 1 1 . 1 1 68 68 LYS CA C 68 54.108 54.108 54.410 -0.302 19684 338 1 1 . 1 1 68 68 LYS CB C 68 35.051 35.051 35.091 -0.040 19684 339 1 1 . 1 1 68 68 LYS H H 68 8.907 8.907 8.305 0.602 19684 340 1 1 . 1 1 69 69 LEU N N 69 126.343 126.343 128.180 -1.837 19684 341 1 1 . 1 1 69 69 LEU HA H 69 4.392 4.392 4.449 -0.057 19684 342 1 1 . 1 1 69 69 LEU C C 69 176.293 176.293 177.846 -1.553 19684 343 1 1 . 1 1 69 69 LEU CA C 69 55.627 55.627 55.336 0.291 19684 344 1 1 . 1 1 69 69 LEU CB C 69 41.278 41.278 41.188 0.090 19684 345 1 1 . 1 1 69 69 LEU H H 69 8.791 8.791 8.724 0.067 19684 346 1 2 . 1 1 2 2 GLY N N 2 113.935 113.935 108.793 5.142 19684 347 1 2 . 1 1 2 2 GLY CA C 2 43.362 43.362 44.818 -1.456 19684 348 1 2 . 1 1 2 2 GLY H H 2 8.251 8.251 8.168 0.083 19684 349 1 2 . 1 1 9 9 SER HA H 9 4.375 4.375 4.365 0.010 19684 350 1 2 . 1 1 9 9 SER CA C 9 58.422 58.422 57.854 0.568 19684 351 1 2 . 1 1 9 9 SER CB C 9 63.552 63.552 62.347 1.205 19684 352 1 2 . 1 1 10 10 HIS HA H 10 4.622 4.622 4.337 0.285 19684 353 1 2 . 1 1 10 10 HIS C C 10 174.853 174.853 174.549 0.304 19684 354 1 2 . 1 1 10 10 HIS CA C 10 55.967 55.967 55.865 0.102 19684 355 1 2 . 1 1 10 10 HIS CB C 10 30.242 30.242 29.913 0.329 19684 356 1 2 . 1 1 11 11 MET N N 11 121.242 121.242 127.021 -5.779 19684 357 1 2 . 1 1 11 11 MET HA H 11 4.432 4.432 4.343 0.089 19684 358 1 2 . 1 1 11 11 MET C C 11 175.804 175.804 175.390 0.414 19684 359 1 2 . 1 1 11 11 MET CA C 11 55.487 55.487 54.517 0.970 19684 360 1 2 . 1 1 11 11 MET CB C 11 32.712 32.712 30.683 2.030 19684 361 1 2 . 1 1 11 11 MET H H 11 8.210 8.210 8.410 -0.200 19684 362 1 2 . 1 1 12 12 ILE N N 12 122.708 122.708 125.464 -2.756 19684 363 1 2 . 1 1 12 12 ILE HA H 12 4.173 4.173 4.043 0.130 19684 364 1 2 . 1 1 12 12 ILE C C 12 175.916 175.916 175.310 0.606 19684 365 1 2 . 1 1 12 12 ILE CA C 12 60.878 60.878 61.242 -0.364 19684 366 1 2 . 1 1 12 12 ILE CB C 12 38.534 38.534 37.694 0.841 19684 367 1 2 . 1 1 12 12 ILE H H 12 8.236 8.236 8.280 -0.044 19684 368 1 2 . 1 1 13 13 ARG N N 13 125.079 125.079 129.376 -4.297 19684 369 1 2 . 1 1 13 13 ARG HA H 13 4.472 4.472 4.547 -0.075 19684 370 1 2 . 1 1 13 13 ARG C C 13 175.573 175.573 175.758 -0.185 19684 371 1 2 . 1 1 13 13 ARG CA C 13 55.645 55.645 55.726 -0.081 19684 372 1 2 . 1 1 13 13 ARG CB C 13 31.256 31.256 31.854 -0.598 19684 373 1 2 . 1 1 13 13 ARG H H 13 8.386 8.386 8.457 -0.071 19684 374 1 2 . 1 1 14 14 SER N N 14 117.250 117.250 119.021 -1.771 19684 375 1 2 . 1 1 14 14 SER HA H 14 4.441 4.441 4.237 0.204 19684 376 1 2 . 1 1 14 14 SER C C 14 174.090 174.090 174.086 0.004 19684 377 1 2 . 1 1 14 14 SER CA C 14 58.062 58.062 59.028 -0.966 19684 378 1 2 . 1 1 14 14 SER CB C 14 63.638 63.638 63.168 0.470 19684 379 1 2 . 1 1 14 14 SER H H 14 8.386 8.386 8.637 -0.251 19684 380 1 2 . 1 1 15 15 ARG N N 15 123.266 123.266 124.225 -0.959 19684 381 1 2 . 1 1 15 15 ARG HA H 15 4.651 4.651 4.366 0.285 19684 382 1 2 . 1 1 15 15 ARG C C 15 174.913 174.913 175.489 -0.576 19684 383 1 2 . 1 1 15 15 ARG CA C 15 54.960 54.960 56.803 -1.843 19684 384 1 2 . 1 1 15 15 ARG CB C 15 31.574 31.574 32.154 -0.580 19684 385 1 2 . 1 1 15 15 ARG H H 15 8.721 8.721 8.041 0.680 19684 386 1 2 . 1 1 16 16 LYS N N 16 120.105 120.105 119.488 0.617 19684 387 1 2 . 1 1 16 16 LYS HA H 16 5.315 5.315 5.578 -0.263 19684 388 1 2 . 1 1 16 16 LYS C C 16 175.755 175.755 175.558 0.197 19684 389 1 2 . 1 1 16 16 LYS CA C 16 54.926 54.926 55.207 -0.281 19684 390 1 2 . 1 1 16 16 LYS CB C 16 36.741 36.741 35.097 1.644 19684 391 1 2 . 1 1 16 16 LYS H H 16 8.406 8.406 8.436 -0.030 19684 392 1 2 . 1 1 17 17 ALA N N 17 118.564 118.564 123.058 -4.494 19684 393 1 2 . 1 1 17 17 ALA HA H 17 5.256 5.256 5.011 0.245 19684 394 1 2 . 1 1 17 17 ALA C C 17 173.884 173.884 175.248 -1.364 19684 395 1 2 . 1 1 17 17 ALA CA C 17 50.673 50.673 50.532 0.141 19684 396 1 2 . 1 1 17 17 ALA CB C 17 23.580 23.580 23.463 0.117 19684 397 1 2 . 1 1 17 17 ALA H H 17 8.310 8.310 8.673 -0.363 19684 398 1 2 . 1 1 18 18 ARG N N 18 119.872 119.872 120.568 -0.696 19684 399 1 2 . 1 1 18 18 ARG HA H 18 5.755 5.755 4.967 0.788 19684 400 1 2 . 1 1 18 18 ARG C C 18 176.196 176.196 174.748 1.448 19684 401 1 2 . 1 1 18 18 ARG CA C 18 53.023 53.023 54.765 -1.742 19684 402 1 2 . 1 1 18 18 ARG CB C 18 34.603 34.603 34.092 0.511 19684 403 1 2 . 1 1 18 18 ARG H H 18 9.008 9.008 8.685 0.323 19684 404 1 2 . 1 1 19 19 ALA N N 19 127.577 127.577 130.130 -2.553 19684 405 1 2 . 1 1 19 19 ALA HA H 19 4.828 4.828 4.503 0.325 19684 406 1 2 . 1 1 19 19 ALA C C 19 178.887 178.887 177.130 1.757 19684 407 1 2 . 1 1 19 19 ALA CA C 19 53.215 53.215 52.621 0.594 19684 408 1 2 . 1 1 19 19 ALA CB C 19 21.164 21.164 19.218 1.946 19684 409 1 2 . 1 1 19 19 ALA H H 19 9.456 9.456 8.774 0.682 19684 410 1 2 . 1 1 20 20 VAL N N 20 120.989 120.989 118.763 2.226 19684 411 1 2 . 1 1 20 20 VAL HA H 20 4.233 4.233 4.386 -0.153 19684 412 1 2 . 1 1 20 20 VAL C C 20 173.478 173.478 175.351 -1.873 19684 413 1 2 . 1 1 20 20 VAL CA C 20 61.659 61.659 62.199 -0.540 19684 414 1 2 . 1 1 20 20 VAL CB C 20 32.406 32.406 32.408 -0.002 19684 415 1 2 . 1 1 20 20 VAL H H 20 9.261 9.261 8.109 1.152 19684 416 1 2 . 1 1 21 21 TYR N N 21 120.793 120.793 120.096 0.697 19684 417 1 2 . 1 1 21 21 TYR HA H 21 4.917 4.917 5.041 -0.124 19684 418 1 2 . 1 1 21 21 TYR C C 21 171.768 171.768 173.325 -1.557 19684 419 1 2 . 1 1 21 21 TYR CA C 21 54.783 54.783 54.714 0.069 19684 420 1 2 . 1 1 21 21 TYR CB C 21 41.028 41.028 39.765 1.263 19684 421 1 2 . 1 1 21 21 TYR H H 21 7.740 7.740 7.916 -0.176 19684 422 1 2 . 1 1 22 22 PRO HA H 22 4.569 4.569 4.864 -0.295 19684 423 1 2 . 1 1 22 22 PRO C C 22 175.447 175.447 175.893 -0.446 19684 424 1 2 . 1 1 22 22 PRO CA C 22 61.784 61.784 62.666 -0.882 19684 425 1 2 . 1 1 22 22 PRO CB C 22 32.301 32.301 31.292 1.009 19684 426 1 2 . 1 1 23 23 CYS N N 23 117.584 117.584 124.650 -7.066 19684 427 1 2 . 1 1 23 23 CYS HA H 23 4.369 4.369 4.139 0.230 19684 428 1 2 . 1 1 23 23 CYS C C 23 173.409 173.409 173.115 0.294 19684 429 1 2 . 1 1 23 23 CYS CA C 23 58.325 58.325 56.178 2.147 19684 430 1 2 . 1 1 23 23 CYS CB C 23 30.008 30.008 29.032 0.976 19684 431 1 2 . 1 1 23 23 CYS H H 23 8.265 8.265 8.028 0.237 19684 432 1 2 . 1 1 24 24 GLU N N 24 131.184 131.184 126.627 4.557 19684 433 1 2 . 1 1 24 24 GLU HA H 24 4.539 4.539 4.265 0.274 19684 434 1 2 . 1 1 24 24 GLU C C 24 174.814 174.814 175.062 -0.248 19684 435 1 2 . 1 1 24 24 GLU CA C 24 54.416 54.416 55.184 -0.768 19684 436 1 2 . 1 1 24 24 GLU CB C 24 30.172 30.172 31.115 -0.943 19684 437 1 2 . 1 1 24 24 GLU H H 24 8.594 8.594 8.451 0.143 19684 438 1 2 . 1 1 25 25 ALA N N 25 128.937 128.937 127.918 1.019 19684 439 1 2 . 1 1 25 25 ALA HA H 25 4.180 4.180 4.328 -0.148 19684 440 1 2 . 1 1 25 25 ALA C C 25 178.154 178.154 177.572 0.582 19684 441 1 2 . 1 1 25 25 ALA CA C 25 52.809 52.809 51.789 1.020 19684 442 1 2 . 1 1 25 25 ALA CB C 25 20.779 20.779 19.355 1.424 19684 443 1 2 . 1 1 25 25 ALA H H 25 8.555 8.555 8.478 0.077 19684 444 1 2 . 1 1 26 26 GLU N N 26 119.582 119.582 123.657 -4.075 19684 445 1 2 . 1 1 26 26 GLU HA H 26 4.268 4.268 4.062 0.206 19684 446 1 2 . 1 1 26 26 GLU C C 26 175.916 175.916 176.676 -0.760 19684 447 1 2 . 1 1 26 26 GLU CA C 26 56.345 56.345 57.700 -1.355 19684 448 1 2 . 1 1 26 26 GLU CB C 26 31.091 31.091 30.250 0.841 19684 449 1 2 . 1 1 26 26 GLU H H 26 8.613 8.613 8.831 -0.218 19684 450 1 2 . 1 1 27 27 HIS N N 27 115.533 115.533 118.054 -2.521 19684 451 1 2 . 1 1 27 27 HIS C C 27 175.986 175.986 176.054 -0.068 19684 452 1 2 . 1 1 27 27 HIS CA C 27 54.711 54.711 54.962 -0.251 19684 453 1 2 . 1 1 27 27 HIS CB C 27 32.077 32.077 31.921 0.156 19684 454 1 2 . 1 1 27 27 HIS H H 27 7.418 7.418 8.239 -0.821 19684 455 1 2 . 1 1 28 28 SER HA H 28 4.255 4.255 4.273 -0.018 19684 456 1 2 . 1 1 28 28 SER C C 28 174.619 174.619 175.678 -1.059 19684 457 1 2 . 1 1 28 28 SER CA C 28 60.985 60.985 60.801 0.184 19684 458 1 2 . 1 1 28 28 SER CB C 28 62.890 62.890 62.852 0.038 19684 459 1 2 . 1 1 29 29 SER N N 29 114.287 114.287 115.730 -1.443 19684 460 1 2 . 1 1 29 29 SER HA H 29 4.405 4.405 4.223 0.182 19684 461 1 2 . 1 1 29 29 SER C C 29 174.305 174.305 174.399 -0.094 19684 462 1 2 . 1 1 29 29 SER CA C 29 58.564 58.564 59.773 -1.209 19684 463 1 2 . 1 1 29 29 SER CB C 29 62.953 62.953 63.260 -0.307 19684 464 1 2 . 1 1 29 29 SER H H 29 8.207 8.207 8.690 -0.483 19684 465 1 2 . 1 1 30 30 GLU N N 30 122.312 122.312 120.323 1.989 19684 466 1 2 . 1 1 30 30 GLU HA H 30 4.690 4.690 4.724 -0.034 19684 467 1 2 . 1 1 30 30 GLU C C 30 175.373 175.373 176.570 -1.197 19684 468 1 2 . 1 1 30 30 GLU CA C 30 54.894 54.894 56.014 -1.121 19684 469 1 2 . 1 1 30 30 GLU CB C 30 31.495 31.495 30.637 0.858 19684 470 1 2 . 1 1 30 30 GLU H H 30 7.798 7.798 7.471 0.327 19684 471 1 2 . 1 1 31 31 LEU N N 31 118.829 118.829 124.294 -5.465 19684 472 1 2 . 1 1 31 31 LEU HA H 31 4.686 4.686 4.655 0.031 19684 473 1 2 . 1 1 31 31 LEU C C 31 177.013 177.013 176.877 0.136 19684 474 1 2 . 1 1 31 31 LEU CA C 31 54.627 54.627 54.216 0.411 19684 475 1 2 . 1 1 31 31 LEU CB C 31 43.640 43.640 42.983 0.657 19684 476 1 2 . 1 1 31 31 LEU H H 31 8.084 8.084 8.748 -0.664 19684 477 1 2 . 1 1 32 32 SER N N 32 115.422 115.422 117.989 -2.567 19684 478 1 2 . 1 1 32 32 SER HA H 32 4.863 4.863 4.967 -0.104 19684 479 1 2 . 1 1 32 32 SER C C 32 173.966 173.966 173.855 0.111 19684 480 1 2 . 1 1 32 32 SER CA C 32 57.745 57.745 57.561 0.184 19684 481 1 2 . 1 1 32 32 SER CB C 32 64.735 64.735 64.422 0.313 19684 482 1 2 . 1 1 32 32 SER H H 32 8.054 8.054 8.454 -0.400 19684 483 1 2 . 1 1 33 33 PHE N N 33 116.920 116.920 119.527 -2.607 19684 484 1 2 . 1 1 33 33 PHE HA H 33 4.889 4.889 4.987 -0.098 19684 485 1 2 . 1 1 33 33 PHE C C 33 173.660 173.660 173.265 0.395 19684 486 1 2 . 1 1 33 33 PHE CA C 33 56.261 56.261 56.877 -0.616 19684 487 1 2 . 1 1 33 33 PHE CB C 33 39.272 39.272 41.019 -1.747 19684 488 1 2 . 1 1 33 33 PHE H H 33 8.697 8.697 8.612 0.085 19684 489 1 2 . 1 1 34 34 GLU N N 34 119.852 119.852 118.649 1.203 19684 490 1 2 . 1 1 34 34 GLU HA H 34 4.622 4.622 4.842 -0.220 19684 491 1 2 . 1 1 34 34 GLU C C 34 176.044 176.044 175.735 0.309 19684 492 1 2 . 1 1 34 34 GLU CA C 34 53.759 53.759 54.101 -0.342 19684 493 1 2 . 1 1 34 34 GLU CB C 34 31.878 31.878 33.406 -1.528 19684 494 1 2 . 1 1 34 34 GLU H H 34 8.616 8.616 8.646 -0.030 19684 495 1 2 . 1 1 35 35 ILE N N 35 118.386 118.386 121.120 -2.734 19684 496 1 2 . 1 1 35 35 ILE HA H 35 3.173 3.173 3.814 -0.641 19684 497 1 2 . 1 1 35 35 ILE C C 35 177.205 177.205 177.672 -0.467 19684 498 1 2 . 1 1 35 35 ILE CA C 35 64.926 64.926 63.321 1.605 19684 499 1 2 . 1 1 35 35 ILE CB C 35 38.013 38.013 36.829 1.184 19684 500 1 2 . 1 1 35 35 ILE H H 35 8.428 8.428 8.705 -0.277 19684 501 1 2 . 1 1 36 36 GLY N N 36 114.528 114.528 115.954 -1.426 19684 502 1 2 . 1 1 36 36 GLY C C 36 173.669 173.669 174.004 -0.335 19684 503 1 2 . 1 1 36 36 GLY CA C 36 44.601 44.601 44.694 -0.092 19684 504 1 2 . 1 1 36 36 GLY H H 36 8.568 8.568 8.863 -0.295 19684 505 1 2 . 1 1 37 37 ALA N N 37 123.910 123.910 125.303 -1.393 19684 506 1 2 . 1 1 37 37 ALA HA H 37 3.975 3.975 4.166 -0.191 19684 507 1 2 . 1 1 37 37 ALA C C 37 175.106 175.106 175.903 -0.797 19684 508 1 2 . 1 1 37 37 ALA CA C 37 53.061 53.061 51.539 1.522 19684 509 1 2 . 1 1 37 37 ALA CB C 37 19.337 19.337 18.717 0.620 19684 510 1 2 . 1 1 37 37 ALA H H 37 7.564 7.564 7.705 -0.141 19684 511 1 2 . 1 1 38 38 ILE N N 38 120.298 120.298 124.384 -4.086 19684 512 1 2 . 1 1 38 38 ILE HA H 38 4.867 4.867 4.488 0.379 19684 513 1 2 . 1 1 38 38 ILE C C 38 174.910 174.910 175.131 -0.221 19684 514 1 2 . 1 1 38 38 ILE CA C 38 58.050 58.050 59.057 -1.007 19684 515 1 2 . 1 1 38 38 ILE CB C 38 38.080 38.080 37.491 0.589 19684 516 1 2 . 1 1 38 38 ILE H H 38 7.843 7.843 7.645 0.198 19684 517 1 2 . 1 1 39 39 PHE N N 39 124.481 124.481 126.382 -1.901 19684 518 1 2 . 1 1 39 39 PHE HA H 39 4.889 4.889 5.189 -0.300 19684 519 1 2 . 1 1 39 39 PHE C C 39 175.106 175.106 175.690 -0.584 19684 520 1 2 . 1 1 39 39 PHE CA C 39 55.542 55.542 56.171 -0.629 19684 521 1 2 . 1 1 39 39 PHE CB C 39 42.173 42.173 41.458 0.715 19684 522 1 2 . 1 1 39 39 PHE H H 39 8.884 8.884 8.543 0.341 19684 523 1 2 . 1 1 40 40 GLU N N 40 117.747 117.747 121.191 -3.444 19684 524 1 2 . 1 1 40 40 GLU HA H 40 4.788 4.788 4.856 -0.068 19684 525 1 2 . 1 1 40 40 GLU C C 40 175.797 175.797 177.181 -1.384 19684 526 1 2 . 1 1 40 40 GLU CA C 40 53.945 53.945 54.584 -0.639 19684 527 1 2 . 1 1 40 40 GLU CB C 40 32.928 32.928 31.731 1.197 19684 528 1 2 . 1 1 40 40 GLU H H 40 9.047 9.047 8.468 0.579 19684 529 1 2 . 1 1 41 41 ASP N N 41 120.461 120.461 117.740 2.721 19684 530 1 2 . 1 1 41 41 ASP HA H 41 4.331 4.331 4.204 0.127 19684 531 1 2 . 1 1 41 41 ASP C C 41 175.720 175.720 175.214 0.506 19684 532 1 2 . 1 1 41 41 ASP CA C 41 54.842 54.842 55.318 -0.476 19684 533 1 2 . 1 1 41 41 ASP CB C 41 39.241 39.241 40.386 -1.145 19684 534 1 2 . 1 1 41 41 ASP H H 41 8.875 8.875 8.478 0.397 19684 535 1 2 . 1 1 42 42 VAL N N 42 120.471 120.471 119.041 1.430 19684 536 1 2 . 1 1 42 42 VAL HA H 42 4.788 4.788 4.147 0.641 19684 537 1 2 . 1 1 42 42 VAL C C 42 176.652 176.652 175.887 0.765 19684 538 1 2 . 1 1 42 42 VAL CA C 42 62.583 62.583 64.128 -1.545 19684 539 1 2 . 1 1 42 42 VAL CB C 42 31.408 31.408 31.455 -0.047 19684 540 1 2 . 1 1 42 42 VAL H H 42 8.932 8.932 7.792 1.140 19684 541 1 2 . 1 1 43 43 GLN N N 43 124.450 124.450 127.432 -2.982 19684 542 1 2 . 1 1 43 43 GLN HA H 43 4.859 4.859 4.806 0.053 19684 543 1 2 . 1 1 43 43 GLN C C 43 174.928 174.928 174.961 -0.033 19684 544 1 2 . 1 1 43 43 GLN CA C 43 53.436 53.436 53.816 -0.380 19684 545 1 2 . 1 1 43 43 GLN CB C 43 33.482 33.482 33.255 0.227 19684 546 1 2 . 1 1 43 43 GLN H H 43 9.057 9.057 8.784 0.273 19684 547 1 2 . 1 1 44 44 THR N N 44 116.345 116.345 117.020 -0.675 19684 548 1 2 . 1 1 44 44 THR HA H 44 4.149 4.149 4.412 -0.263 19684 549 1 2 . 1 1 44 44 THR C C 44 174.138 174.138 174.320 -0.182 19684 550 1 2 . 1 1 44 44 THR CA C 44 64.288 64.288 62.183 2.105 19684 551 1 2 . 1 1 44 44 THR CB C 44 69.164 69.164 69.420 -0.256 19684 552 1 2 . 1 1 44 44 THR H H 44 8.640 8.640 8.440 0.200 19684 553 1 2 . 1 1 45 45 SER N N 45 119.635 119.635 123.008 -3.373 19684 554 1 2 . 1 1 45 45 SER HA H 45 4.670 4.670 4.816 -0.146 19684 555 1 2 . 1 1 45 45 SER C C 45 174.304 174.304 175.798 -1.494 19684 556 1 2 . 1 1 45 45 SER CA C 45 57.064 57.064 56.978 0.086 19684 557 1 2 . 1 1 45 45 SER CB C 45 65.275 65.275 65.181 0.094 19684 558 1 2 . 1 1 45 45 SER H H 45 7.971 7.971 8.556 -0.585 19684 559 1 2 . 1 1 46 46 ARG N N 46 120.482 120.482 117.109 3.373 19684 560 1 2 . 1 1 46 46 ARG HA H 46 4.170 4.170 4.343 -0.173 19684 561 1 2 . 1 1 46 46 ARG C C 46 176.486 176.486 176.632 -0.146 19684 562 1 2 . 1 1 46 46 ARG CA C 46 57.675 57.675 57.496 0.179 19684 563 1 2 . 1 1 46 46 ARG CB C 46 30.019 30.019 30.250 -0.231 19684 564 1 2 . 1 1 46 46 ARG H H 46 8.491 8.491 8.573 -0.082 19684 565 1 2 . 1 1 47 47 GLU N N 47 121.489 121.489 120.959 0.530 19684 566 1 2 . 1 1 47 47 GLU HA H 47 4.820 4.820 4.748 0.072 19684 567 1 2 . 1 1 47 47 GLU C C 47 173.926 173.926 174.679 -0.753 19684 568 1 2 . 1 1 47 47 GLU CA C 47 52.716 52.716 52.988 -0.272 19684 569 1 2 . 1 1 47 47 GLU CB C 47 30.039 30.039 29.401 0.638 19684 570 1 2 . 1 1 47 47 GLU H H 47 8.530 8.530 7.733 0.797 19684 571 1 2 . 1 1 48 48 PRO HA H 48 4.363 4.363 4.356 0.007 19684 572 1 2 . 1 1 48 48 PRO C C 48 177.954 177.954 176.848 1.106 19684 573 1 2 . 1 1 48 48 PRO CA C 48 63.672 63.672 63.923 -0.251 19684 574 1 2 . 1 1 48 48 PRO CB C 48 31.798 31.798 31.104 0.694 19684 575 1 2 . 1 1 49 49 GLY N N 49 110.220 110.220 110.699 -0.479 19684 576 1 2 . 1 1 49 49 GLY C C 49 174.196 174.196 173.771 0.425 19684 577 1 2 . 1 1 49 49 GLY CA C 49 44.965 44.965 44.831 0.134 19684 578 1 2 . 1 1 49 49 GLY H H 49 8.660 8.660 8.447 0.213 19684 579 1 2 . 1 1 50 50 TRP N N 50 120.527 120.527 121.131 -0.604 19684 580 1 2 . 1 1 50 50 TRP HA H 50 5.098 5.098 5.368 -0.270 19684 581 1 2 . 1 1 50 50 TRP C C 50 175.686 175.686 175.765 -0.079 19684 582 1 2 . 1 1 50 50 TRP CA C 50 56.460 56.460 56.635 -0.175 19684 583 1 2 . 1 1 50 50 TRP CB C 50 31.745 31.745 30.824 0.921 19684 584 1 2 . 1 1 50 50 TRP H H 50 8.025 8.025 7.590 0.435 19684 585 1 2 . 1 1 51 51 LEU N N 51 123.575 123.575 120.980 2.595 19684 586 1 2 . 1 1 51 51 LEU HA H 51 4.966 4.966 5.062 -0.096 19684 587 1 2 . 1 1 51 51 LEU C C 51 175.162 175.162 175.985 -0.823 19684 588 1 2 . 1 1 51 51 LEU CA C 51 52.643 52.643 53.226 -0.583 19684 589 1 2 . 1 1 51 51 LEU CB C 51 44.214 44.214 45.675 -1.461 19684 590 1 2 . 1 1 51 51 LEU H H 51 9.635 9.635 9.043 0.592 19684 591 1 2 . 1 1 52 52 GLU N N 52 119.825 119.825 119.786 0.039 19684 592 1 2 . 1 1 52 52 GLU HA H 52 5.180 5.180 5.605 -0.425 19684 593 1 2 . 1 1 52 52 GLU C C 52 175.082 175.082 176.040 -0.958 19684 594 1 2 . 1 1 52 52 GLU CA C 52 54.693 54.693 54.864 -0.171 19684 595 1 2 . 1 1 52 52 GLU CB C 52 32.735 32.735 32.706 0.029 19684 596 1 2 . 1 1 52 52 GLU H H 52 9.144 9.144 8.455 0.689 19684 597 1 2 . 1 1 53 53 GLY N N 53 106.528 106.528 111.453 -4.925 19684 598 1 2 . 1 1 53 53 GLY C C 53 170.278 170.278 172.894 -2.616 19684 599 1 2 . 1 1 53 53 GLY CA C 53 45.500 45.500 45.186 0.314 19684 600 1 2 . 1 1 53 53 GLY H H 53 8.500 8.500 8.084 0.416 19684 601 1 2 . 1 1 54 54 THR N N 54 115.540 115.540 117.853 -2.313 19684 602 1 2 . 1 1 54 54 THR HA H 54 5.334 5.334 4.847 0.487 19684 603 1 2 . 1 1 54 54 THR C C 54 173.549 173.549 173.057 0.492 19684 604 1 2 . 1 1 54 54 THR CA C 54 61.186 61.186 62.298 -1.112 19684 605 1 2 . 1 1 54 54 THR CB C 54 69.935 69.935 70.197 -0.262 19684 606 1 2 . 1 1 54 54 THR H H 54 9.085 9.085 8.912 0.173 19684 607 1 2 . 1 1 55 55 LEU N N 55 128.613 128.613 129.572 -0.959 19684 608 1 2 . 1 1 55 55 LEU HA H 55 4.842 4.842 4.782 0.060 19684 609 1 2 . 1 1 55 55 LEU C C 55 176.045 176.045 176.187 -0.142 19684 610 1 2 . 1 1 55 55 LEU CA C 55 53.387 53.387 53.642 -0.255 19684 611 1 2 . 1 1 55 55 LEU CB C 55 45.579 45.579 44.506 1.073 19684 612 1 2 . 1 1 55 55 LEU H H 55 9.368 9.368 8.756 0.612 19684 613 1 2 . 1 1 56 56 ASN N N 56 128.674 128.674 126.069 2.605 19684 614 1 2 . 1 1 56 56 ASN HA H 56 4.403 4.403 4.409 -0.006 19684 615 1 2 . 1 1 56 56 ASN C C 56 175.457 175.457 175.411 0.046 19684 616 1 2 . 1 1 56 56 ASN CA C 56 54.126 54.126 53.983 0.143 19684 617 1 2 . 1 1 56 56 ASN CB C 56 37.291 37.291 36.788 0.503 19684 618 1 2 . 1 1 56 56 ASN H H 56 9.670 9.670 9.395 0.275 19684 619 1 2 . 1 1 57 57 GLY N N 57 102.683 102.683 103.348 -0.665 19684 620 1 2 . 1 1 57 57 GLY C C 57 173.175 173.175 173.424 -0.249 19684 621 1 2 . 1 1 57 57 GLY CA C 57 45.263 45.263 45.025 0.238 19684 622 1 2 . 1 1 57 57 GLY H H 57 8.441 8.441 8.462 -0.021 19684 623 1 2 . 1 1 58 58 LYS N N 58 122.749 122.749 121.340 1.409 19684 624 1 2 . 1 1 58 58 LYS HA H 58 4.621 4.621 4.593 0.028 19684 625 1 2 . 1 1 58 58 LYS C C 58 173.237 173.237 174.873 -1.636 19684 626 1 2 . 1 1 58 58 LYS CA C 58 54.962 54.962 55.174 -0.212 19684 627 1 2 . 1 1 58 58 LYS CB C 58 34.303 34.303 34.558 -0.255 19684 628 1 2 . 1 1 58 58 LYS H H 58 7.847 7.847 7.718 0.129 19684 629 1 2 . 1 1 59 59 ARG N N 59 127.435 127.435 128.063 -0.628 19684 630 1 2 . 1 1 59 59 ARG HA H 59 5.417 5.417 5.347 0.070 19684 631 1 2 . 1 1 59 59 ARG C C 59 176.486 176.486 175.622 0.864 19684 632 1 2 . 1 1 59 59 ARG CA C 59 54.079 54.079 55.176 -1.097 19684 633 1 2 . 1 1 59 59 ARG CB C 59 31.815 31.815 32.708 -0.893 19684 634 1 2 . 1 1 59 59 ARG H H 59 8.741 8.741 8.737 0.004 19684 635 1 2 . 1 1 60 60 GLY N N 60 112.447 112.447 110.702 1.745 19684 636 1 2 . 1 1 60 60 GLY C C 60 170.709 170.709 172.406 -1.697 19684 637 1 2 . 1 1 60 60 GLY CA C 60 45.648 45.648 45.030 0.618 19684 638 1 2 . 1 1 60 60 GLY H H 60 8.745 8.745 7.969 0.776 19684 639 1 2 . 1 1 61 61 LEU N N 61 117.631 117.631 121.674 -4.043 19684 640 1 2 . 1 1 61 61 LEU HA H 61 5.330 5.330 5.066 0.264 19684 641 1 2 . 1 1 61 61 LEU C C 61 178.461 178.461 176.383 2.078 19684 642 1 2 . 1 1 61 61 LEU CA C 61 54.784 54.784 55.200 -0.416 19684 643 1 2 . 1 1 61 61 LEU CB C 61 44.075 44.075 42.864 1.211 19684 644 1 2 . 1 1 61 61 LEU H H 61 8.527 8.527 7.955 0.572 19684 645 1 2 . 1 1 62 62 ILE N N 62 121.463 121.463 123.606 -2.143 19684 646 1 2 . 1 1 62 62 ILE HA H 62 4.899 4.899 4.815 0.084 19684 647 1 2 . 1 1 62 62 ILE C C 62 172.776 172.776 173.738 -0.962 19684 648 1 2 . 1 1 62 62 ILE CA C 62 58.089 58.089 58.044 0.045 19684 649 1 2 . 1 1 62 62 ILE CB C 62 43.821 43.821 40.721 3.100 19684 650 1 2 . 1 1 62 62 ILE H H 62 9.387 9.387 9.192 0.195 19684 651 1 2 . 1 1 63 63 PRO HA H 63 3.610 3.610 4.025 -0.415 19684 652 1 2 . 1 1 63 63 PRO C C 63 179.007 179.007 177.327 1.680 19684 653 1 2 . 1 1 63 63 PRO CA C 63 62.475 62.475 62.476 -0.001 19684 654 1 2 . 1 1 63 63 PRO CB C 63 30.637 30.637 31.006 -0.369 19684 655 1 2 . 1 1 64 64 GLN N N 64 124.254 124.254 127.147 -2.893 19684 656 1 2 . 1 1 64 64 GLN HA H 64 3.624 3.624 3.805 -0.181 19684 657 1 2 . 1 1 64 64 GLN C C 64 176.210 176.210 177.522 -1.312 19684 658 1 2 . 1 1 64 64 GLN CA C 64 58.984 58.984 59.356 -0.372 19684 659 1 2 . 1 1 64 64 GLN CB C 64 28.212 28.212 28.435 -0.223 19684 660 1 2 . 1 1 64 64 GLN H H 64 8.045 8.045 8.163 -0.118 19684 661 1 2 . 1 1 65 65 ASN N N 65 111.289 111.289 116.859 -5.570 19684 662 1 2 . 1 1 65 65 ASN HA H 65 4.722 4.722 4.499 0.223 19684 663 1 2 . 1 1 65 65 ASN C C 65 175.720 175.720 176.554 -0.834 19684 664 1 2 . 1 1 65 65 ASN CA C 65 53.734 53.734 55.700 -1.966 19684 665 1 2 . 1 1 65 65 ASN CB C 65 36.735 36.735 38.285 -1.550 19684 666 1 2 . 1 1 65 65 ASN H H 65 8.543 8.543 8.430 0.113 19684 667 1 2 . 1 1 66 66 TYR N N 66 118.333 118.333 115.741 2.592 19684 668 1 2 . 1 1 66 66 TYR HA H 66 4.906 4.906 4.989 -0.083 19684 669 1 2 . 1 1 66 66 TYR C C 66 175.641 175.641 174.669 0.972 19684 670 1 2 . 1 1 66 66 TYR CA C 66 57.121 57.121 58.508 -1.387 19684 671 1 2 . 1 1 66 66 TYR CB C 66 37.682 37.682 39.817 -2.135 19684 672 1 2 . 1 1 66 66 TYR H H 66 7.919 7.919 7.887 0.032 19684 673 1 2 . 1 1 67 67 VAL N N 67 108.796 108.796 113.496 -4.700 19684 674 1 2 . 1 1 67 67 VAL HA H 67 5.441 5.441 4.784 0.657 19684 675 1 2 . 1 1 67 67 VAL C C 67 173.714 173.714 174.844 -1.130 19684 676 1 2 . 1 1 67 67 VAL CA C 67 57.990 57.990 58.909 -0.919 19684 677 1 2 . 1 1 67 67 VAL CB C 67 35.467 35.467 34.355 1.112 19684 678 1 2 . 1 1 67 67 VAL H H 67 7.341 7.341 7.334 0.007 19684 679 1 2 . 1 1 68 68 LYS N N 68 120.974 120.974 122.989 -2.015 19684 680 1 2 . 1 1 68 68 LYS HA H 68 4.692 4.692 4.627 0.065 19684 681 1 2 . 1 1 68 68 LYS C C 68 175.962 175.962 175.684 0.278 19684 682 1 2 . 1 1 68 68 LYS CA C 68 54.108 54.108 53.816 0.292 19684 683 1 2 . 1 1 68 68 LYS CB C 68 35.051 35.051 34.044 1.007 19684 684 1 2 . 1 1 68 68 LYS H H 68 8.907 8.907 8.656 0.251 19684 685 1 2 . 1 1 69 69 LEU N N 69 126.343 126.343 127.250 -0.907 19684 686 1 2 . 1 1 69 69 LEU HA H 69 4.392 4.392 4.233 0.159 19684 687 1 2 . 1 1 69 69 LEU C C 69 176.293 176.293 177.200 -0.907 19684 688 1 2 . 1 1 69 69 LEU CA C 69 55.627 55.627 55.571 0.056 19684 689 1 2 . 1 1 69 69 LEU CB C 69 41.278 41.278 41.680 -0.402 19684 690 1 2 . 1 1 69 69 LEU H H 69 8.791 8.791 8.707 0.084 19684 691 1 3 . 1 1 2 2 GLY N N 2 113.935 113.935 109.661 4.274 19684 692 1 3 . 1 1 2 2 GLY CA C 2 43.362 43.362 45.542 -2.180 19684 693 1 3 . 1 1 2 2 GLY H H 2 8.251 8.251 8.675 -0.424 19684 694 1 3 . 1 1 9 9 SER HA H 9 4.375 4.375 4.355 0.020 19684 695 1 3 . 1 1 9 9 SER CA C 9 58.422 58.422 58.356 0.066 19684 696 1 3 . 1 1 9 9 SER CB C 9 63.552 63.552 62.418 1.134 19684 697 1 3 . 1 1 10 10 HIS HA H 10 4.622 4.622 4.140 0.482 19684 698 1 3 . 1 1 10 10 HIS C C 10 174.853 174.853 175.179 -0.326 19684 699 1 3 . 1 1 10 10 HIS CA C 10 55.967 55.967 57.140 -1.173 19684 700 1 3 . 1 1 10 10 HIS CB C 10 30.242 30.242 27.890 2.352 19684 701 1 3 . 1 1 11 11 MET N N 11 121.242 121.242 115.294 5.948 19684 702 1 3 . 1 1 11 11 MET HA H 11 4.432 4.432 3.983 0.449 19684 703 1 3 . 1 1 11 11 MET C C 11 175.804 175.804 174.337 1.467 19684 704 1 3 . 1 1 11 11 MET CA C 11 55.487 55.487 58.800 -3.312 19684 705 1 3 . 1 1 11 11 MET CB C 11 32.712 32.712 32.409 0.303 19684 706 1 3 . 1 1 11 11 MET H H 11 8.210 8.210 7.881 0.329 19684 707 1 3 . 1 1 12 12 ILE N N 12 122.708 122.708 119.016 3.692 19684 708 1 3 . 1 1 12 12 ILE HA H 12 4.173 4.173 4.079 0.094 19684 709 1 3 . 1 1 12 12 ILE C C 12 175.916 175.916 174.087 1.829 19684 710 1 3 . 1 1 12 12 ILE CA C 12 60.878 60.878 59.772 1.106 19684 711 1 3 . 1 1 12 12 ILE CB C 12 38.534 38.534 39.548 -1.014 19684 712 1 3 . 1 1 12 12 ILE H H 12 8.236 8.236 7.767 0.469 19684 713 1 3 . 1 1 13 13 ARG N N 13 125.079 125.079 127.768 -2.689 19684 714 1 3 . 1 1 13 13 ARG HA H 13 4.472 4.472 4.196 0.276 19684 715 1 3 . 1 1 13 13 ARG C C 13 175.573 175.573 176.683 -1.110 19684 716 1 3 . 1 1 13 13 ARG CA C 13 55.645 55.645 56.906 -1.261 19684 717 1 3 . 1 1 13 13 ARG CB C 13 31.256 31.256 29.965 1.291 19684 718 1 3 . 1 1 13 13 ARG H H 13 8.386 8.386 8.396 -0.010 19684 719 1 3 . 1 1 14 14 SER N N 14 117.250 117.250 116.606 0.644 19684 720 1 3 . 1 1 14 14 SER HA H 14 4.441 4.441 4.252 0.189 19684 721 1 3 . 1 1 14 14 SER C C 14 174.090 174.090 173.714 0.376 19684 722 1 3 . 1 1 14 14 SER CA C 14 58.062 58.062 59.314 -1.252 19684 723 1 3 . 1 1 14 14 SER CB C 14 63.638 63.638 61.853 1.785 19684 724 1 3 . 1 1 14 14 SER H H 14 8.386 8.386 8.674 -0.288 19684 725 1 3 . 1 1 15 15 ARG N N 15 123.266 123.266 121.038 2.228 19684 726 1 3 . 1 1 15 15 ARG HA H 15 4.651 4.651 4.337 0.314 19684 727 1 3 . 1 1 15 15 ARG C C 15 174.913 174.913 176.026 -1.113 19684 728 1 3 . 1 1 15 15 ARG CA C 15 54.960 54.960 55.250 -0.290 19684 729 1 3 . 1 1 15 15 ARG CB C 15 31.574 31.574 31.806 -0.233 19684 730 1 3 . 1 1 15 15 ARG H H 15 8.721 8.721 8.301 0.420 19684 731 1 3 . 1 1 16 16 LYS N N 16 120.105 120.105 121.261 -1.156 19684 732 1 3 . 1 1 16 16 LYS HA H 16 5.315 5.315 5.619 -0.304 19684 733 1 3 . 1 1 16 16 LYS C C 16 175.755 175.755 175.821 -0.066 19684 734 1 3 . 1 1 16 16 LYS CA C 16 54.926 54.926 54.865 0.061 19684 735 1 3 . 1 1 16 16 LYS CB C 16 36.741 36.741 36.206 0.535 19684 736 1 3 . 1 1 16 16 LYS H H 16 8.406 8.406 8.496 -0.090 19684 737 1 3 . 1 1 17 17 ALA N N 17 118.564 118.564 124.475 -5.911 19684 738 1 3 . 1 1 17 17 ALA HA H 17 5.256 5.256 5.195 0.061 19684 739 1 3 . 1 1 17 17 ALA C C 17 173.884 173.884 175.214 -1.330 19684 740 1 3 . 1 1 17 17 ALA CA C 17 50.673 50.673 50.479 0.194 19684 741 1 3 . 1 1 17 17 ALA CB C 17 23.580 23.580 23.505 0.076 19684 742 1 3 . 1 1 17 17 ALA H H 17 8.310 8.310 8.420 -0.110 19684 743 1 3 . 1 1 18 18 ARG N N 18 119.872 119.872 120.656 -0.784 19684 744 1 3 . 1 1 18 18 ARG HA H 18 5.755 5.755 5.232 0.523 19684 745 1 3 . 1 1 18 18 ARG C C 18 176.196 176.196 175.159 1.037 19684 746 1 3 . 1 1 18 18 ARG CA C 18 53.023 53.023 54.468 -1.445 19684 747 1 3 . 1 1 18 18 ARG CB C 18 34.603 34.603 34.088 0.515 19684 748 1 3 . 1 1 18 18 ARG H H 18 9.008 9.008 8.616 0.392 19684 749 1 3 . 1 1 19 19 ALA N N 19 127.577 127.577 130.270 -2.693 19684 750 1 3 . 1 1 19 19 ALA HA H 19 4.828 4.828 4.721 0.107 19684 751 1 3 . 1 1 19 19 ALA C C 19 178.887 178.887 177.509 1.378 19684 752 1 3 . 1 1 19 19 ALA CA C 19 53.215 53.215 52.156 1.060 19684 753 1 3 . 1 1 19 19 ALA CB C 19 21.164 21.164 19.176 1.988 19684 754 1 3 . 1 1 19 19 ALA H H 19 9.456 9.456 8.635 0.821 19684 755 1 3 . 1 1 20 20 VAL N N 20 120.989 120.989 120.912 0.077 19684 756 1 3 . 1 1 20 20 VAL HA H 20 4.233 4.233 4.241 -0.008 19684 757 1 3 . 1 1 20 20 VAL C C 20 173.478 173.478 175.400 -1.922 19684 758 1 3 . 1 1 20 20 VAL CA C 20 61.659 61.659 63.038 -1.379 19684 759 1 3 . 1 1 20 20 VAL CB C 20 32.406 32.406 32.367 0.038 19684 760 1 3 . 1 1 20 20 VAL H H 20 9.261 9.261 8.619 0.642 19684 761 1 3 . 1 1 21 21 TYR N N 21 120.793 120.793 119.928 0.865 19684 762 1 3 . 1 1 21 21 TYR HA H 21 4.917 4.917 4.881 0.036 19684 763 1 3 . 1 1 21 21 TYR C C 21 171.768 171.768 174.005 -2.237 19684 764 1 3 . 1 1 21 21 TYR CA C 21 54.783 54.783 54.535 0.248 19684 765 1 3 . 1 1 21 21 TYR CB C 21 41.028 41.028 38.614 2.414 19684 766 1 3 . 1 1 21 21 TYR H H 21 7.740 7.740 7.977 -0.237 19684 767 1 3 . 1 1 22 22 PRO HA H 22 4.569 4.569 4.736 -0.167 19684 768 1 3 . 1 1 22 22 PRO C C 22 175.447 175.447 175.256 0.191 19684 769 1 3 . 1 1 22 22 PRO CA C 22 61.784 61.784 62.516 -0.732 19684 770 1 3 . 1 1 22 22 PRO CB C 22 32.301 32.301 33.181 -0.880 19684 771 1 3 . 1 1 23 23 CYS N N 23 117.584 117.584 118.110 -0.526 19684 772 1 3 . 1 1 23 23 CYS HA H 23 4.369 4.369 4.669 -0.300 19684 773 1 3 . 1 1 23 23 CYS C C 23 173.409 173.409 172.583 0.826 19684 774 1 3 . 1 1 23 23 CYS CA C 23 58.325 58.325 56.964 1.361 19684 775 1 3 . 1 1 23 23 CYS CB C 23 30.008 30.008 30.422 -0.414 19684 776 1 3 . 1 1 23 23 CYS H H 23 8.265 8.265 8.389 -0.124 19684 777 1 3 . 1 1 24 24 GLU N N 24 131.184 131.184 122.011 9.173 19684 778 1 3 . 1 1 24 24 GLU HA H 24 4.539 4.539 4.408 0.131 19684 779 1 3 . 1 1 24 24 GLU C C 24 174.814 174.814 175.430 -0.616 19684 780 1 3 . 1 1 24 24 GLU CA C 24 54.416 54.416 55.180 -0.764 19684 781 1 3 . 1 1 24 24 GLU CB C 24 30.172 30.172 32.520 -2.348 19684 782 1 3 . 1 1 24 24 GLU H H 24 8.594 8.594 8.616 -0.022 19684 783 1 3 . 1 1 25 25 ALA N N 25 128.937 128.937 124.030 4.907 19684 784 1 3 . 1 1 25 25 ALA HA H 25 4.180 4.180 4.288 -0.108 19684 785 1 3 . 1 1 25 25 ALA C C 25 178.154 178.154 177.937 0.217 19684 786 1 3 . 1 1 25 25 ALA CA C 25 52.809 52.809 52.809 0.000 19684 787 1 3 . 1 1 25 25 ALA CB C 25 20.779 20.779 17.603 3.176 19684 788 1 3 . 1 1 25 25 ALA H H 25 8.555 8.555 8.441 0.114 19684 789 1 3 . 1 1 26 26 GLU N N 26 119.582 119.582 124.501 -4.919 19684 790 1 3 . 1 1 26 26 GLU HA H 26 4.268 4.268 3.964 0.304 19684 791 1 3 . 1 1 26 26 GLU C C 26 175.916 175.916 176.652 -0.736 19684 792 1 3 . 1 1 26 26 GLU CA C 26 56.345 56.345 58.593 -2.248 19684 793 1 3 . 1 1 26 26 GLU CB C 26 31.091 31.091 29.782 1.309 19684 794 1 3 . 1 1 26 26 GLU H H 26 8.613 8.613 8.633 -0.020 19684 795 1 3 . 1 1 27 27 HIS N N 27 115.533 115.533 116.571 -1.038 19684 796 1 3 . 1 1 27 27 HIS C C 27 175.986 175.986 176.175 -0.189 19684 797 1 3 . 1 1 27 27 HIS CA C 27 54.711 54.711 56.838 -2.127 19684 798 1 3 . 1 1 27 27 HIS CB C 27 32.077 32.077 32.851 -0.774 19684 799 1 3 . 1 1 27 27 HIS H H 27 7.418 7.418 8.303 -0.885 19684 800 1 3 . 1 1 28 28 SER HA H 28 4.255 4.255 4.567 -0.312 19684 801 1 3 . 1 1 28 28 SER C C 28 174.619 174.619 174.753 -0.134 19684 802 1 3 . 1 1 28 28 SER CA C 28 60.985 60.985 59.693 1.292 19684 803 1 3 . 1 1 28 28 SER CB C 28 62.890 62.890 63.508 -0.618 19684 804 1 3 . 1 1 29 29 SER N N 29 114.287 114.287 117.194 -2.907 19684 805 1 3 . 1 1 29 29 SER HA H 29 4.405 4.405 4.394 0.011 19684 806 1 3 . 1 1 29 29 SER C C 29 174.305 174.305 174.745 -0.440 19684 807 1 3 . 1 1 29 29 SER CA C 29 58.564 58.564 59.782 -1.218 19684 808 1 3 . 1 1 29 29 SER CB C 29 62.953 62.953 62.894 0.059 19684 809 1 3 . 1 1 29 29 SER H H 29 8.207 8.207 8.377 -0.170 19684 810 1 3 . 1 1 30 30 GLU N N 30 122.312 122.312 120.590 1.722 19684 811 1 3 . 1 1 30 30 GLU HA H 30 4.690 4.690 4.648 0.042 19684 812 1 3 . 1 1 30 30 GLU C C 30 175.373 175.373 176.902 -1.529 19684 813 1 3 . 1 1 30 30 GLU CA C 30 54.894 54.894 56.597 -1.704 19684 814 1 3 . 1 1 30 30 GLU CB C 30 31.495 31.495 30.022 1.473 19684 815 1 3 . 1 1 30 30 GLU H H 30 7.798 7.798 7.809 -0.011 19684 816 1 3 . 1 1 31 31 LEU N N 31 118.829 118.829 125.104 -6.275 19684 817 1 3 . 1 1 31 31 LEU HA H 31 4.686 4.686 4.635 0.051 19684 818 1 3 . 1 1 31 31 LEU C C 31 177.013 177.013 176.782 0.231 19684 819 1 3 . 1 1 31 31 LEU CA C 31 54.627 54.627 54.252 0.376 19684 820 1 3 . 1 1 31 31 LEU CB C 31 43.640 43.640 42.908 0.732 19684 821 1 3 . 1 1 31 31 LEU H H 31 8.084 8.084 8.730 -0.646 19684 822 1 3 . 1 1 32 32 SER N N 32 115.422 115.422 117.771 -2.349 19684 823 1 3 . 1 1 32 32 SER HA H 32 4.863 4.863 4.685 0.178 19684 824 1 3 . 1 1 32 32 SER C C 32 173.966 173.966 174.168 -0.202 19684 825 1 3 . 1 1 32 32 SER CA C 32 57.745 57.745 58.025 -0.280 19684 826 1 3 . 1 1 32 32 SER CB C 32 64.735 64.735 63.660 1.075 19684 827 1 3 . 1 1 32 32 SER H H 32 8.054 8.054 8.549 -0.495 19684 828 1 3 . 1 1 33 33 PHE N N 33 116.920 116.920 121.127 -4.207 19684 829 1 3 . 1 1 33 33 PHE HA H 33 4.889 4.889 5.106 -0.217 19684 830 1 3 . 1 1 33 33 PHE C C 33 173.660 173.660 173.484 0.176 19684 831 1 3 . 1 1 33 33 PHE CA C 33 56.261 56.261 56.357 -0.096 19684 832 1 3 . 1 1 33 33 PHE CB C 33 39.272 39.272 41.666 -2.393 19684 833 1 3 . 1 1 33 33 PHE H H 33 8.697 8.697 8.823 -0.126 19684 834 1 3 . 1 1 34 34 GLU N N 34 119.852 119.852 118.514 1.338 19684 835 1 3 . 1 1 34 34 GLU HA H 34 4.622 4.622 4.874 -0.252 19684 836 1 3 . 1 1 34 34 GLU C C 34 176.044 176.044 175.426 0.618 19684 837 1 3 . 1 1 34 34 GLU CA C 34 53.759 53.759 54.151 -0.392 19684 838 1 3 . 1 1 34 34 GLU CB C 34 31.878 31.878 32.843 -0.965 19684 839 1 3 . 1 1 34 34 GLU H H 34 8.616 8.616 8.895 -0.279 19684 840 1 3 . 1 1 35 35 ILE N N 35 118.386 118.386 121.110 -2.724 19684 841 1 3 . 1 1 35 35 ILE HA H 35 3.173 3.173 4.158 -0.985 19684 842 1 3 . 1 1 35 35 ILE C C 35 177.205 177.205 177.469 -0.264 19684 843 1 3 . 1 1 35 35 ILE CA C 35 64.926 64.926 62.896 2.030 19684 844 1 3 . 1 1 35 35 ILE CB C 35 38.013 38.013 37.163 0.850 19684 845 1 3 . 1 1 35 35 ILE H H 35 8.428 8.428 8.669 -0.241 19684 846 1 3 . 1 1 36 36 GLY N N 36 114.528 114.528 116.121 -1.593 19684 847 1 3 . 1 1 36 36 GLY C C 36 173.669 173.669 173.942 -0.273 19684 848 1 3 . 1 1 36 36 GLY CA C 36 44.601 44.601 44.699 -0.097 19684 849 1 3 . 1 1 36 36 GLY H H 36 8.568 8.568 8.954 -0.386 19684 850 1 3 . 1 1 37 37 ALA N N 37 123.910 123.910 125.104 -1.194 19684 851 1 3 . 1 1 37 37 ALA HA H 37 3.975 3.975 4.137 -0.162 19684 852 1 3 . 1 1 37 37 ALA C C 37 175.106 175.106 175.942 -0.836 19684 853 1 3 . 1 1 37 37 ALA CA C 37 53.061 53.061 51.773 1.288 19684 854 1 3 . 1 1 37 37 ALA CB C 37 19.337 19.337 18.926 0.411 19684 855 1 3 . 1 1 37 37 ALA H H 37 7.564 7.564 7.545 0.019 19684 856 1 3 . 1 1 38 38 ILE N N 38 120.298 120.298 124.441 -4.143 19684 857 1 3 . 1 1 38 38 ILE HA H 38 4.867 4.867 4.754 0.113 19684 858 1 3 . 1 1 38 38 ILE C C 38 174.910 174.910 175.251 -0.341 19684 859 1 3 . 1 1 38 38 ILE CA C 38 58.050 58.050 58.874 -0.824 19684 860 1 3 . 1 1 38 38 ILE CB C 38 38.080 38.080 37.207 0.873 19684 861 1 3 . 1 1 38 38 ILE H H 38 7.843 7.843 7.941 -0.098 19684 862 1 3 . 1 1 39 39 PHE N N 39 124.481 124.481 127.202 -2.721 19684 863 1 3 . 1 1 39 39 PHE HA H 39 4.889 4.889 5.013 -0.124 19684 864 1 3 . 1 1 39 39 PHE C C 39 175.106 175.106 175.379 -0.273 19684 865 1 3 . 1 1 39 39 PHE CA C 39 55.542 55.542 56.230 -0.688 19684 866 1 3 . 1 1 39 39 PHE CB C 39 42.173 42.173 41.327 0.846 19684 867 1 3 . 1 1 39 39 PHE H H 39 8.884 8.884 8.616 0.268 19684 868 1 3 . 1 1 40 40 GLU N N 40 117.747 117.747 120.550 -2.803 19684 869 1 3 . 1 1 40 40 GLU HA H 40 4.788 4.788 4.921 -0.133 19684 870 1 3 . 1 1 40 40 GLU C C 40 175.797 175.797 176.881 -1.084 19684 871 1 3 . 1 1 40 40 GLU CA C 40 53.945 53.945 54.820 -0.875 19684 872 1 3 . 1 1 40 40 GLU CB C 40 32.928 32.928 31.677 1.251 19684 873 1 3 . 1 1 40 40 GLU H H 40 9.047 9.047 8.627 0.420 19684 874 1 3 . 1 1 41 41 ASP N N 41 120.461 120.461 118.987 1.474 19684 875 1 3 . 1 1 41 41 ASP HA H 41 4.331 4.331 4.328 0.003 19684 876 1 3 . 1 1 41 41 ASP C C 41 175.720 175.720 175.457 0.263 19684 877 1 3 . 1 1 41 41 ASP CA C 41 54.842 54.842 55.793 -0.951 19684 878 1 3 . 1 1 41 41 ASP CB C 41 39.241 39.241 39.870 -0.628 19684 879 1 3 . 1 1 41 41 ASP H H 41 8.875 8.875 8.558 0.317 19684 880 1 3 . 1 1 42 42 VAL N N 42 120.471 120.471 118.687 1.784 19684 881 1 3 . 1 1 42 42 VAL HA H 42 4.788 4.788 4.156 0.632 19684 882 1 3 . 1 1 42 42 VAL C C 42 176.652 176.652 176.101 0.551 19684 883 1 3 . 1 1 42 42 VAL CA C 42 62.583 62.583 64.138 -1.555 19684 884 1 3 . 1 1 42 42 VAL CB C 42 31.408 31.408 31.780 -0.372 19684 885 1 3 . 1 1 42 42 VAL H H 42 8.932 8.932 7.585 1.347 19684 886 1 3 . 1 1 43 43 GLN N N 43 124.450 124.450 126.424 -1.974 19684 887 1 3 . 1 1 43 43 GLN HA H 43 4.859 4.859 4.733 0.126 19684 888 1 3 . 1 1 43 43 GLN C C 43 174.928 174.928 175.384 -0.456 19684 889 1 3 . 1 1 43 43 GLN CA C 43 53.436 53.436 53.996 -0.560 19684 890 1 3 . 1 1 43 43 GLN CB C 43 33.482 33.482 32.890 0.592 19684 891 1 3 . 1 1 43 43 GLN H H 43 9.057 9.057 8.999 0.058 19684 892 1 3 . 1 1 44 44 THR N N 44 116.345 116.345 116.009 0.336 19684 893 1 3 . 1 1 44 44 THR HA H 44 4.149 4.149 4.566 -0.417 19684 894 1 3 . 1 1 44 44 THR C C 44 174.138 174.138 174.175 -0.037 19684 895 1 3 . 1 1 44 44 THR CA C 44 64.288 64.288 62.397 1.891 19684 896 1 3 . 1 1 44 44 THR CB C 44 69.164 69.164 69.328 -0.164 19684 897 1 3 . 1 1 44 44 THR H H 44 8.640 8.640 8.384 0.256 19684 898 1 3 . 1 1 45 45 SER N N 45 119.635 119.635 120.962 -1.327 19684 899 1 3 . 1 1 45 45 SER HA H 45 4.670 4.670 4.530 0.140 19684 900 1 3 . 1 1 45 45 SER C C 45 174.304 174.304 175.883 -1.579 19684 901 1 3 . 1 1 45 45 SER CA C 45 57.064 57.064 57.466 -0.402 19684 902 1 3 . 1 1 45 45 SER CB C 45 65.275 65.275 64.680 0.595 19684 903 1 3 . 1 1 45 45 SER H H 45 7.971 7.971 8.499 -0.528 19684 904 1 3 . 1 1 46 46 ARG N N 46 120.482 120.482 124.068 -3.586 19684 905 1 3 . 1 1 46 46 ARG HA H 46 4.170 4.170 4.201 -0.031 19684 906 1 3 . 1 1 46 46 ARG C C 46 176.486 176.486 176.707 -0.221 19684 907 1 3 . 1 1 46 46 ARG CA C 46 57.675 57.675 58.167 -0.492 19684 908 1 3 . 1 1 46 46 ARG CB C 46 30.019 30.019 30.541 -0.522 19684 909 1 3 . 1 1 46 46 ARG H H 46 8.491 8.491 8.858 -0.367 19684 910 1 3 . 1 1 47 47 GLU N N 47 121.489 121.489 120.787 0.702 19684 911 1 3 . 1 1 47 47 GLU HA H 47 4.820 4.820 4.497 0.323 19684 912 1 3 . 1 1 47 47 GLU C C 47 173.926 173.926 174.859 -0.933 19684 913 1 3 . 1 1 47 47 GLU CA C 47 52.716 52.716 54.087 -1.371 19684 914 1 3 . 1 1 47 47 GLU CB C 47 30.039 30.039 29.147 0.892 19684 915 1 3 . 1 1 47 47 GLU H H 47 8.530 8.530 7.704 0.826 19684 916 1 3 . 1 1 48 48 PRO HA H 48 4.363 4.363 4.378 -0.015 19684 917 1 3 . 1 1 48 48 PRO C C 48 177.954 177.954 177.247 0.707 19684 918 1 3 . 1 1 48 48 PRO CA C 48 63.672 63.672 63.748 -0.076 19684 919 1 3 . 1 1 48 48 PRO CB C 48 31.798 31.798 32.014 -0.215 19684 920 1 3 . 1 1 49 49 GLY N N 49 110.220 110.220 110.578 -0.358 19684 921 1 3 . 1 1 49 49 GLY C C 49 174.196 174.196 173.681 0.515 19684 922 1 3 . 1 1 49 49 GLY CA C 49 44.965 44.965 45.013 -0.048 19684 923 1 3 . 1 1 49 49 GLY H H 49 8.660 8.660 8.742 -0.082 19684 924 1 3 . 1 1 50 50 TRP N N 50 120.527 120.527 120.419 0.108 19684 925 1 3 . 1 1 50 50 TRP HA H 50 5.098 5.098 5.439 -0.341 19684 926 1 3 . 1 1 50 50 TRP C C 50 175.686 175.686 175.226 0.460 19684 927 1 3 . 1 1 50 50 TRP CA C 50 56.460 56.460 56.097 0.363 19684 928 1 3 . 1 1 50 50 TRP CB C 50 31.745 31.745 31.102 0.643 19684 929 1 3 . 1 1 50 50 TRP H H 50 8.025 8.025 7.711 0.314 19684 930 1 3 . 1 1 51 51 LEU N N 51 123.575 123.575 122.047 1.528 19684 931 1 3 . 1 1 51 51 LEU HA H 51 4.966 4.966 5.054 -0.088 19684 932 1 3 . 1 1 51 51 LEU C C 51 175.162 175.162 175.812 -0.650 19684 933 1 3 . 1 1 51 51 LEU CA C 51 52.643 52.643 53.424 -0.781 19684 934 1 3 . 1 1 51 51 LEU CB C 51 44.214 44.214 44.883 -0.669 19684 935 1 3 . 1 1 51 51 LEU H H 51 9.635 9.635 9.034 0.601 19684 936 1 3 . 1 1 52 52 GLU N N 52 119.825 119.825 119.312 0.513 19684 937 1 3 . 1 1 52 52 GLU HA H 52 5.180 5.180 5.533 -0.353 19684 938 1 3 . 1 1 52 52 GLU C C 52 175.082 175.082 175.842 -0.760 19684 939 1 3 . 1 1 52 52 GLU CA C 52 54.693 54.693 54.822 -0.128 19684 940 1 3 . 1 1 52 52 GLU CB C 52 32.735 32.735 33.522 -0.787 19684 941 1 3 . 1 1 52 52 GLU H H 52 9.144 9.144 8.488 0.656 19684 942 1 3 . 1 1 53 53 GLY N N 53 106.528 106.528 110.857 -4.329 19684 943 1 3 . 1 1 53 53 GLY C C 53 170.278 170.278 172.690 -2.412 19684 944 1 3 . 1 1 53 53 GLY CA C 53 45.500 45.500 44.741 0.759 19684 945 1 3 . 1 1 53 53 GLY H H 53 8.500 8.500 8.003 0.497 19684 946 1 3 . 1 1 54 54 THR N N 54 115.540 115.540 118.124 -2.584 19684 947 1 3 . 1 1 54 54 THR HA H 54 5.334 5.334 5.014 0.320 19684 948 1 3 . 1 1 54 54 THR C C 54 173.549 173.549 173.512 0.037 19684 949 1 3 . 1 1 54 54 THR CA C 54 61.186 61.186 62.707 -1.521 19684 950 1 3 . 1 1 54 54 THR CB C 54 69.935 69.935 70.105 -0.170 19684 951 1 3 . 1 1 54 54 THR H H 54 9.085 9.085 8.696 0.389 19684 952 1 3 . 1 1 55 55 LEU N N 55 128.613 128.613 129.162 -0.549 19684 953 1 3 . 1 1 55 55 LEU HA H 55 4.842 4.842 4.865 -0.023 19684 954 1 3 . 1 1 55 55 LEU C C 55 176.045 176.045 176.023 0.022 19684 955 1 3 . 1 1 55 55 LEU CA C 55 53.387 53.387 54.158 -0.771 19684 956 1 3 . 1 1 55 55 LEU CB C 55 45.579 45.579 45.275 0.304 19684 957 1 3 . 1 1 55 55 LEU H H 55 9.368 9.368 8.714 0.654 19684 958 1 3 . 1 1 56 56 ASN N N 56 128.674 128.674 125.672 3.002 19684 959 1 3 . 1 1 56 56 ASN HA H 56 4.403 4.403 4.428 -0.025 19684 960 1 3 . 1 1 56 56 ASN C C 56 175.457 175.457 175.498 -0.041 19684 961 1 3 . 1 1 56 56 ASN CA C 56 54.126 54.126 53.999 0.127 19684 962 1 3 . 1 1 56 56 ASN CB C 56 37.291 37.291 36.864 0.427 19684 963 1 3 . 1 1 56 56 ASN H H 56 9.670 9.670 9.258 0.412 19684 964 1 3 . 1 1 57 57 GLY N N 57 102.683 102.683 103.401 -0.718 19684 965 1 3 . 1 1 57 57 GLY C C 57 173.175 173.175 173.353 -0.178 19684 966 1 3 . 1 1 57 57 GLY CA C 57 45.263 45.263 45.043 0.220 19684 967 1 3 . 1 1 57 57 GLY H H 57 8.441 8.441 8.456 -0.015 19684 968 1 3 . 1 1 58 58 LYS N N 58 122.749 122.749 120.892 1.857 19684 969 1 3 . 1 1 58 58 LYS HA H 58 4.621 4.621 4.590 0.031 19684 970 1 3 . 1 1 58 58 LYS C C 58 173.237 173.237 174.966 -1.729 19684 971 1 3 . 1 1 58 58 LYS CA C 58 54.962 54.962 55.153 -0.191 19684 972 1 3 . 1 1 58 58 LYS CB C 58 34.303 34.303 34.769 -0.466 19684 973 1 3 . 1 1 58 58 LYS H H 58 7.847 7.847 7.704 0.143 19684 974 1 3 . 1 1 59 59 ARG N N 59 127.435 127.435 127.867 -0.432 19684 975 1 3 . 1 1 59 59 ARG HA H 59 5.417 5.417 5.544 -0.127 19684 976 1 3 . 1 1 59 59 ARG C C 59 176.486 176.486 175.682 0.804 19684 977 1 3 . 1 1 59 59 ARG CA C 59 54.079 54.079 54.926 -0.847 19684 978 1 3 . 1 1 59 59 ARG CB C 59 31.815 31.815 32.311 -0.496 19684 979 1 3 . 1 1 59 59 ARG H H 59 8.741 8.741 8.674 0.067 19684 980 1 3 . 1 1 60 60 GLY N N 60 112.447 112.447 110.538 1.909 19684 981 1 3 . 1 1 60 60 GLY C C 60 170.709 170.709 172.382 -1.673 19684 982 1 3 . 1 1 60 60 GLY CA C 60 45.648 45.648 45.019 0.629 19684 983 1 3 . 1 1 60 60 GLY H H 60 8.745 8.745 7.917 0.828 19684 984 1 3 . 1 1 61 61 LEU N N 61 117.631 117.631 121.588 -3.957 19684 985 1 3 . 1 1 61 61 LEU HA H 61 5.330 5.330 4.437 0.893 19684 986 1 3 . 1 1 61 61 LEU C C 61 178.461 178.461 176.389 2.072 19684 987 1 3 . 1 1 61 61 LEU CA C 61 54.784 54.784 55.870 -1.085 19684 988 1 3 . 1 1 61 61 LEU CB C 61 44.075 44.075 42.329 1.746 19684 989 1 3 . 1 1 61 61 LEU H H 61 8.527 8.527 8.085 0.442 19684 990 1 3 . 1 1 62 62 ILE N N 62 121.463 121.463 124.282 -2.819 19684 991 1 3 . 1 1 62 62 ILE HA H 62 4.899 4.899 4.834 0.065 19684 992 1 3 . 1 1 62 62 ILE C C 62 172.776 172.776 173.707 -0.931 19684 993 1 3 . 1 1 62 62 ILE CA C 62 58.089 58.089 57.972 0.117 19684 994 1 3 . 1 1 62 62 ILE CB C 62 43.821 43.821 40.823 2.998 19684 995 1 3 . 1 1 62 62 ILE H H 62 9.387 9.387 9.394 -0.007 19684 996 1 3 . 1 1 63 63 PRO HA H 63 3.610 3.610 3.632 -0.022 19684 997 1 3 . 1 1 63 63 PRO C C 63 179.007 179.007 177.260 1.747 19684 998 1 3 . 1 1 63 63 PRO CA C 63 62.475 62.475 62.455 0.020 19684 999 1 3 . 1 1 63 63 PRO CB C 63 30.637 30.637 30.746 -0.109 19684 1000 1 3 . 1 1 64 64 GLN N N 64 124.254 124.254 126.988 -2.734 19684 1001 1 3 . 1 1 64 64 GLN HA H 64 3.624 3.624 3.796 -0.172 19684 1002 1 3 . 1 1 64 64 GLN C C 64 176.210 176.210 177.597 -1.387 19684 1003 1 3 . 1 1 64 64 GLN CA C 64 58.984 58.984 59.513 -0.529 19684 1004 1 3 . 1 1 64 64 GLN CB C 64 28.212 28.212 28.597 -0.385 19684 1005 1 3 . 1 1 64 64 GLN H H 64 8.045 8.045 8.039 0.006 19684 1006 1 3 . 1 1 65 65 ASN N N 65 111.289 111.289 117.776 -6.487 19684 1007 1 3 . 1 1 65 65 ASN HA H 65 4.722 4.722 4.543 0.179 19684 1008 1 3 . 1 1 65 65 ASN C C 65 175.720 175.720 176.614 -0.894 19684 1009 1 3 . 1 1 65 65 ASN CA C 65 53.734 53.734 55.899 -2.165 19684 1010 1 3 . 1 1 65 65 ASN CB C 65 36.735 36.735 38.217 -1.482 19684 1011 1 3 . 1 1 65 65 ASN H H 65 8.543 8.543 8.581 -0.038 19684 1012 1 3 . 1 1 66 66 TYR N N 66 118.333 118.333 116.746 1.587 19684 1013 1 3 . 1 1 66 66 TYR HA H 66 4.906 4.906 4.728 0.178 19684 1014 1 3 . 1 1 66 66 TYR C C 66 175.641 175.641 175.473 0.168 19684 1015 1 3 . 1 1 66 66 TYR CA C 66 57.121 57.121 58.221 -1.100 19684 1016 1 3 . 1 1 66 66 TYR CB C 66 37.682 37.682 39.108 -1.425 19684 1017 1 3 . 1 1 66 66 TYR H H 66 7.919 7.919 7.790 0.129 19684 1018 1 3 . 1 1 67 67 VAL N N 67 108.796 108.796 110.468 -1.672 19684 1019 1 3 . 1 1 67 67 VAL HA H 67 5.441 5.441 5.022 0.419 19684 1020 1 3 . 1 1 67 67 VAL C C 67 173.714 173.714 175.283 -1.569 19684 1021 1 3 . 1 1 67 67 VAL CA C 67 57.990 57.990 58.978 -0.988 19684 1022 1 3 . 1 1 67 67 VAL CB C 67 35.467 35.467 34.747 0.720 19684 1023 1 3 . 1 1 67 67 VAL H H 67 7.341 7.341 7.239 0.102 19684 1024 1 3 . 1 1 68 68 LYS N N 68 120.974 120.974 121.358 -0.384 19684 1025 1 3 . 1 1 68 68 LYS HA H 68 4.692 4.692 4.625 0.067 19684 1026 1 3 . 1 1 68 68 LYS C C 68 175.962 175.962 175.547 0.415 19684 1027 1 3 . 1 1 68 68 LYS CA C 68 54.108 54.108 53.481 0.627 19684 1028 1 3 . 1 1 68 68 LYS CB C 68 35.051 35.051 34.843 0.207 19684 1029 1 3 . 1 1 68 68 LYS H H 68 8.907 8.907 8.311 0.596 19684 1030 1 3 . 1 1 69 69 LEU N N 69 126.343 126.343 125.813 0.530 19684 1031 1 3 . 1 1 69 69 LEU HA H 69 4.392 4.392 4.537 -0.145 19684 1032 1 3 . 1 1 69 69 LEU C C 69 176.293 176.293 177.623 -1.330 19684 1033 1 3 . 1 1 69 69 LEU CA C 69 55.627 55.627 55.181 0.446 19684 1034 1 3 . 1 1 69 69 LEU CB C 69 41.278 41.278 41.523 -0.245 19684 1035 1 3 . 1 1 69 69 LEU H H 69 8.791 8.791 8.586 0.205 19684 1036 1 4 . 1 1 2 2 GLY N N 2 113.935 113.935 109.701 4.234 19684 1037 1 4 . 1 1 2 2 GLY CA C 2 43.362 43.362 44.984 -1.622 19684 1038 1 4 . 1 1 2 2 GLY H H 2 8.251 8.251 8.416 -0.165 19684 1039 1 4 . 1 1 9 9 SER HA H 9 4.375 4.375 4.427 -0.052 19684 1040 1 4 . 1 1 9 9 SER CA C 9 58.422 58.422 58.717 -0.295 19684 1041 1 4 . 1 1 9 9 SER CB C 9 63.552 63.552 63.298 0.254 19684 1042 1 4 . 1 1 10 10 HIS HA H 10 4.622 4.622 4.842 -0.220 19684 1043 1 4 . 1 1 10 10 HIS C C 10 174.853 174.853 174.509 0.344 19684 1044 1 4 . 1 1 10 10 HIS CA C 10 55.967 55.967 54.982 0.985 19684 1045 1 4 . 1 1 10 10 HIS CB C 10 30.242 30.242 30.260 -0.018 19684 1046 1 4 . 1 1 11 11 MET N N 11 121.242 121.242 122.689 -1.447 19684 1047 1 4 . 1 1 11 11 MET HA H 11 4.432 4.432 4.636 -0.204 19684 1048 1 4 . 1 1 11 11 MET C C 11 175.804 175.804 177.694 -1.890 19684 1049 1 4 . 1 1 11 11 MET CA C 11 55.487 55.487 53.543 1.944 19684 1050 1 4 . 1 1 11 11 MET CB C 11 32.712 32.712 33.954 -1.242 19684 1051 1 4 . 1 1 11 11 MET H H 11 8.210 8.210 8.794 -0.584 19684 1052 1 4 . 1 1 12 12 ILE N N 12 122.708 122.708 117.032 5.676 19684 1053 1 4 . 1 1 12 12 ILE HA H 12 4.173 4.173 4.300 -0.127 19684 1054 1 4 . 1 1 12 12 ILE C C 12 175.916 175.916 174.680 1.236 19684 1055 1 4 . 1 1 12 12 ILE CA C 12 60.878 60.878 62.037 -1.159 19684 1056 1 4 . 1 1 12 12 ILE CB C 12 38.534 38.534 37.012 1.522 19684 1057 1 4 . 1 1 12 12 ILE H H 12 8.236 8.236 8.552 -0.316 19684 1058 1 4 . 1 1 13 13 ARG N N 13 125.079 125.079 116.053 9.026 19684 1059 1 4 . 1 1 13 13 ARG HA H 13 4.472 4.472 4.583 -0.111 19684 1060 1 4 . 1 1 13 13 ARG C C 13 175.573 175.573 176.512 -0.939 19684 1061 1 4 . 1 1 13 13 ARG CA C 13 55.645 55.645 55.894 -0.249 19684 1062 1 4 . 1 1 13 13 ARG CB C 13 31.256 31.256 31.154 0.102 19684 1063 1 4 . 1 1 13 13 ARG H H 13 8.386 8.386 7.855 0.531 19684 1064 1 4 . 1 1 14 14 SER N N 14 117.250 117.250 116.185 1.065 19684 1065 1 4 . 1 1 14 14 SER HA H 14 4.441 4.441 4.495 -0.054 19684 1066 1 4 . 1 1 14 14 SER C C 14 174.090 174.090 174.369 -0.279 19684 1067 1 4 . 1 1 14 14 SER CA C 14 58.062 58.062 59.388 -1.326 19684 1068 1 4 . 1 1 14 14 SER CB C 14 63.638 63.638 62.955 0.683 19684 1069 1 4 . 1 1 14 14 SER H H 14 8.386 8.386 7.745 0.641 19684 1070 1 4 . 1 1 15 15 ARG N N 15 123.266 123.266 121.568 1.698 19684 1071 1 4 . 1 1 15 15 ARG HA H 15 4.651 4.651 4.623 0.028 19684 1072 1 4 . 1 1 15 15 ARG C C 15 174.913 174.913 174.417 0.496 19684 1073 1 4 . 1 1 15 15 ARG CA C 15 54.960 54.960 54.273 0.687 19684 1074 1 4 . 1 1 15 15 ARG CB C 15 31.574 31.574 32.417 -0.843 19684 1075 1 4 . 1 1 15 15 ARG H H 15 8.721 8.721 7.607 1.114 19684 1076 1 4 . 1 1 16 16 LYS N N 16 120.105 120.105 120.838 -0.733 19684 1077 1 4 . 1 1 16 16 LYS HA H 16 5.315 5.315 5.159 0.156 19684 1078 1 4 . 1 1 16 16 LYS C C 16 175.755 175.755 175.573 0.182 19684 1079 1 4 . 1 1 16 16 LYS CA C 16 54.926 54.926 54.812 0.114 19684 1080 1 4 . 1 1 16 16 LYS CB C 16 36.741 36.741 36.177 0.564 19684 1081 1 4 . 1 1 16 16 LYS H H 16 8.406 8.406 8.631 -0.225 19684 1082 1 4 . 1 1 17 17 ALA N N 17 118.564 118.564 121.283 -2.719 19684 1083 1 4 . 1 1 17 17 ALA HA H 17 5.256 5.256 5.261 -0.005 19684 1084 1 4 . 1 1 17 17 ALA C C 17 173.884 173.884 175.090 -1.206 19684 1085 1 4 . 1 1 17 17 ALA CA C 17 50.673 50.673 50.870 -0.197 19684 1086 1 4 . 1 1 17 17 ALA CB C 17 23.580 23.580 23.211 0.369 19684 1087 1 4 . 1 1 17 17 ALA H H 17 8.310 8.310 8.408 -0.098 19684 1088 1 4 . 1 1 18 18 ARG N N 18 119.872 119.872 123.126 -3.254 19684 1089 1 4 . 1 1 18 18 ARG HA H 18 5.755 5.755 5.184 0.571 19684 1090 1 4 . 1 1 18 18 ARG C C 18 176.196 176.196 175.696 0.500 19684 1091 1 4 . 1 1 18 18 ARG CA C 18 53.023 53.023 53.774 -0.751 19684 1092 1 4 . 1 1 18 18 ARG CB C 18 34.603 34.603 33.483 1.120 19684 1093 1 4 . 1 1 18 18 ARG H H 18 9.008 9.008 8.588 0.420 19684 1094 1 4 . 1 1 19 19 ALA N N 19 127.577 127.577 131.153 -3.576 19684 1095 1 4 . 1 1 19 19 ALA HA H 19 4.828 4.828 4.548 0.280 19684 1096 1 4 . 1 1 19 19 ALA C C 19 178.887 178.887 177.454 1.433 19684 1097 1 4 . 1 1 19 19 ALA CA C 19 53.215 53.215 52.488 0.727 19684 1098 1 4 . 1 1 19 19 ALA CB C 19 21.164 21.164 19.059 2.105 19684 1099 1 4 . 1 1 19 19 ALA H H 19 9.456 9.456 8.797 0.659 19684 1100 1 4 . 1 1 20 20 VAL N N 20 120.989 120.989 121.740 -0.751 19684 1101 1 4 . 1 1 20 20 VAL HA H 20 4.233 4.233 4.210 0.023 19684 1102 1 4 . 1 1 20 20 VAL C C 20 173.478 173.478 175.254 -1.776 19684 1103 1 4 . 1 1 20 20 VAL CA C 20 61.659 61.659 63.048 -1.389 19684 1104 1 4 . 1 1 20 20 VAL CB C 20 32.406 32.406 32.124 0.282 19684 1105 1 4 . 1 1 20 20 VAL H H 20 9.261 9.261 8.489 0.772 19684 1106 1 4 . 1 1 21 21 TYR N N 21 120.793 120.793 120.542 0.251 19684 1107 1 4 . 1 1 21 21 TYR HA H 21 4.917 4.917 4.926 -0.009 19684 1108 1 4 . 1 1 21 21 TYR C C 21 171.768 171.768 173.370 -1.602 19684 1109 1 4 . 1 1 21 21 TYR CA C 21 54.783 54.783 55.242 -0.459 19684 1110 1 4 . 1 1 21 21 TYR CB C 21 41.028 41.028 39.320 1.708 19684 1111 1 4 . 1 1 21 21 TYR H H 21 7.740 7.740 7.969 -0.229 19684 1112 1 4 . 1 1 22 22 PRO HA H 22 4.569 4.569 4.643 -0.074 19684 1113 1 4 . 1 1 22 22 PRO C C 22 175.447 175.447 175.239 0.208 19684 1114 1 4 . 1 1 22 22 PRO CA C 22 61.784 61.784 62.075 -0.291 19684 1115 1 4 . 1 1 22 22 PRO CB C 22 32.301 32.301 33.077 -0.776 19684 1116 1 4 . 1 1 23 23 CYS N N 23 117.584 117.584 120.428 -2.844 19684 1117 1 4 . 1 1 23 23 CYS HA H 23 4.369 4.369 4.604 -0.235 19684 1118 1 4 . 1 1 23 23 CYS C C 23 173.409 173.409 173.653 -0.244 19684 1119 1 4 . 1 1 23 23 CYS CA C 23 58.325 58.325 56.754 1.571 19684 1120 1 4 . 1 1 23 23 CYS CB C 23 30.008 30.008 29.515 0.493 19684 1121 1 4 . 1 1 23 23 CYS H H 23 8.265 8.265 8.128 0.137 19684 1122 1 4 . 1 1 24 24 GLU N N 24 131.184 131.184 129.056 2.128 19684 1123 1 4 . 1 1 24 24 GLU HA H 24 4.539 4.539 4.431 0.108 19684 1124 1 4 . 1 1 24 24 GLU C C 24 174.814 174.814 175.112 -0.298 19684 1125 1 4 . 1 1 24 24 GLU CA C 24 54.416 54.416 55.172 -0.756 19684 1126 1 4 . 1 1 24 24 GLU CB C 24 30.172 30.172 28.285 1.887 19684 1127 1 4 . 1 1 24 24 GLU H H 24 8.594 8.594 8.689 -0.095 19684 1128 1 4 . 1 1 25 25 ALA N N 25 128.937 128.937 125.883 3.054 19684 1129 1 4 . 1 1 25 25 ALA HA H 25 4.180 4.180 4.246 -0.066 19684 1130 1 4 . 1 1 25 25 ALA C C 25 178.154 178.154 177.467 0.687 19684 1131 1 4 . 1 1 25 25 ALA CA C 25 52.809 52.809 52.645 0.164 19684 1132 1 4 . 1 1 25 25 ALA CB C 25 20.779 20.779 19.706 1.073 19684 1133 1 4 . 1 1 25 25 ALA H H 25 8.555 8.555 7.781 0.774 19684 1134 1 4 . 1 1 26 26 GLU N N 26 119.582 119.582 122.369 -2.787 19684 1135 1 4 . 1 1 26 26 GLU HA H 26 4.268 4.268 4.286 -0.018 19684 1136 1 4 . 1 1 26 26 GLU C C 26 175.916 175.916 177.007 -1.091 19684 1137 1 4 . 1 1 26 26 GLU CA C 26 56.345 56.345 57.048 -0.703 19684 1138 1 4 . 1 1 26 26 GLU CB C 26 31.091 31.091 30.554 0.537 19684 1139 1 4 . 1 1 26 26 GLU H H 26 8.613 8.613 8.712 -0.099 19684 1140 1 4 . 1 1 27 27 HIS N N 27 115.533 115.533 118.850 -3.317 19684 1141 1 4 . 1 1 27 27 HIS C C 27 175.986 175.986 176.120 -0.134 19684 1142 1 4 . 1 1 27 27 HIS CA C 27 54.711 54.711 55.145 -0.434 19684 1143 1 4 . 1 1 27 27 HIS CB C 27 32.077 32.077 31.977 0.100 19684 1144 1 4 . 1 1 27 27 HIS H H 27 7.418 7.418 8.354 -0.936 19684 1145 1 4 . 1 1 28 28 SER HA H 28 4.255 4.255 4.380 -0.125 19684 1146 1 4 . 1 1 28 28 SER C C 28 174.619 174.619 175.779 -1.160 19684 1147 1 4 . 1 1 28 28 SER CA C 28 60.985 60.985 60.722 0.263 19684 1148 1 4 . 1 1 28 28 SER CB C 28 62.890 62.890 63.361 -0.471 19684 1149 1 4 . 1 1 29 29 SER N N 29 114.287 114.287 115.880 -1.593 19684 1150 1 4 . 1 1 29 29 SER HA H 29 4.405 4.405 4.267 0.138 19684 1151 1 4 . 1 1 29 29 SER C C 29 174.305 174.305 175.168 -0.863 19684 1152 1 4 . 1 1 29 29 SER CA C 29 58.564 58.564 60.066 -1.502 19684 1153 1 4 . 1 1 29 29 SER CB C 29 62.953 62.953 63.188 -0.235 19684 1154 1 4 . 1 1 29 29 SER H H 29 8.207 8.207 8.672 -0.465 19684 1155 1 4 . 1 1 30 30 GLU N N 30 122.312 122.312 121.025 1.287 19684 1156 1 4 . 1 1 30 30 GLU HA H 30 4.690 4.690 4.652 0.038 19684 1157 1 4 . 1 1 30 30 GLU C C 30 175.373 175.373 175.286 0.087 19684 1158 1 4 . 1 1 30 30 GLU CA C 30 54.894 54.894 55.572 -0.678 19684 1159 1 4 . 1 1 30 30 GLU CB C 30 31.495 31.495 31.498 -0.003 19684 1160 1 4 . 1 1 30 30 GLU H H 30 7.798 7.798 7.445 0.353 19684 1161 1 4 . 1 1 31 31 LEU N N 31 118.829 118.829 119.854 -1.025 19684 1162 1 4 . 1 1 31 31 LEU HA H 31 4.686 4.686 4.909 -0.223 19684 1163 1 4 . 1 1 31 31 LEU C C 31 177.013 177.013 175.686 1.327 19684 1164 1 4 . 1 1 31 31 LEU CA C 31 54.627 54.627 53.739 0.888 19684 1165 1 4 . 1 1 31 31 LEU CB C 31 43.640 43.640 44.599 -0.959 19684 1166 1 4 . 1 1 31 31 LEU H H 31 8.084 8.084 8.594 -0.510 19684 1167 1 4 . 1 1 32 32 SER N N 32 115.422 115.422 119.676 -4.254 19684 1168 1 4 . 1 1 32 32 SER HA H 32 4.863 4.863 4.843 0.020 19684 1169 1 4 . 1 1 32 32 SER C C 32 173.966 173.966 174.122 -0.156 19684 1170 1 4 . 1 1 32 32 SER CA C 32 57.745 57.745 57.737 0.008 19684 1171 1 4 . 1 1 32 32 SER CB C 32 64.735 64.735 63.825 0.910 19684 1172 1 4 . 1 1 32 32 SER H H 32 8.054 8.054 8.667 -0.613 19684 1173 1 4 . 1 1 33 33 PHE N N 33 116.920 116.920 123.227 -6.307 19684 1174 1 4 . 1 1 33 33 PHE HA H 33 4.889 4.889 5.057 -0.168 19684 1175 1 4 . 1 1 33 33 PHE C C 33 173.660 173.660 173.158 0.502 19684 1176 1 4 . 1 1 33 33 PHE CA C 33 56.261 56.261 56.926 -0.665 19684 1177 1 4 . 1 1 33 33 PHE CB C 33 39.272 39.272 40.940 -1.668 19684 1178 1 4 . 1 1 33 33 PHE H H 33 8.697 8.697 8.596 0.101 19684 1179 1 4 . 1 1 34 34 GLU N N 34 119.852 119.852 119.410 0.442 19684 1180 1 4 . 1 1 34 34 GLU HA H 34 4.622 4.622 4.840 -0.218 19684 1181 1 4 . 1 1 34 34 GLU C C 34 176.044 176.044 176.013 0.031 19684 1182 1 4 . 1 1 34 34 GLU CA C 34 53.759 53.759 54.073 -0.314 19684 1183 1 4 . 1 1 34 34 GLU CB C 34 31.878 31.878 32.789 -0.911 19684 1184 1 4 . 1 1 34 34 GLU H H 34 8.616 8.616 8.731 -0.115 19684 1185 1 4 . 1 1 35 35 ILE N N 35 118.386 118.386 121.273 -2.887 19684 1186 1 4 . 1 1 35 35 ILE HA H 35 3.173 3.173 3.828 -0.655 19684 1187 1 4 . 1 1 35 35 ILE C C 35 177.205 177.205 177.299 -0.094 19684 1188 1 4 . 1 1 35 35 ILE CA C 35 64.926 64.926 63.281 1.645 19684 1189 1 4 . 1 1 35 35 ILE CB C 35 38.013 38.013 36.686 1.327 19684 1190 1 4 . 1 1 35 35 ILE H H 35 8.428 8.428 8.675 -0.247 19684 1191 1 4 . 1 1 36 36 GLY N N 36 114.528 114.528 116.120 -1.592 19684 1192 1 4 . 1 1 36 36 GLY C C 36 173.669 173.669 173.982 -0.313 19684 1193 1 4 . 1 1 36 36 GLY CA C 36 44.601 44.601 44.661 -0.060 19684 1194 1 4 . 1 1 36 36 GLY H H 36 8.568 8.568 8.682 -0.114 19684 1195 1 4 . 1 1 37 37 ALA N N 37 123.910 123.910 125.685 -1.775 19684 1196 1 4 . 1 1 37 37 ALA HA H 37 3.975 3.975 4.033 -0.058 19684 1197 1 4 . 1 1 37 37 ALA C C 37 175.106 175.106 176.709 -1.603 19684 1198 1 4 . 1 1 37 37 ALA CA C 37 53.061 53.061 52.718 0.343 19684 1199 1 4 . 1 1 37 37 ALA CB C 37 19.337 19.337 18.782 0.555 19684 1200 1 4 . 1 1 37 37 ALA H H 37 7.564 7.564 7.620 -0.056 19684 1201 1 4 . 1 1 38 38 ILE N N 38 120.298 120.298 123.756 -3.458 19684 1202 1 4 . 1 1 38 38 ILE HA H 38 4.867 4.867 4.605 0.262 19684 1203 1 4 . 1 1 38 38 ILE C C 38 174.910 174.910 175.245 -0.335 19684 1204 1 4 . 1 1 38 38 ILE CA C 38 58.050 58.050 59.375 -1.325 19684 1205 1 4 . 1 1 38 38 ILE CB C 38 38.080 38.080 37.719 0.361 19684 1206 1 4 . 1 1 38 38 ILE H H 38 7.843 7.843 7.857 -0.014 19684 1207 1 4 . 1 1 39 39 PHE N N 39 124.481 124.481 125.253 -0.772 19684 1208 1 4 . 1 1 39 39 PHE HA H 39 4.889 4.889 5.398 -0.509 19684 1209 1 4 . 1 1 39 39 PHE C C 39 175.106 175.106 175.320 -0.214 19684 1210 1 4 . 1 1 39 39 PHE CA C 39 55.542 55.542 55.871 -0.329 19684 1211 1 4 . 1 1 39 39 PHE CB C 39 42.173 42.173 42.470 -0.297 19684 1212 1 4 . 1 1 39 39 PHE H H 39 8.884 8.884 8.748 0.136 19684 1213 1 4 . 1 1 40 40 GLU N N 40 117.747 117.747 120.874 -3.127 19684 1214 1 4 . 1 1 40 40 GLU HA H 40 4.788 4.788 4.723 0.065 19684 1215 1 4 . 1 1 40 40 GLU C C 40 175.797 175.797 175.842 -0.045 19684 1216 1 4 . 1 1 40 40 GLU CA C 40 53.945 53.945 55.319 -1.374 19684 1217 1 4 . 1 1 40 40 GLU CB C 40 32.928 32.928 33.162 -0.234 19684 1218 1 4 . 1 1 40 40 GLU H H 40 9.047 9.047 8.358 0.689 19684 1219 1 4 . 1 1 41 41 ASP N N 41 120.461 120.461 120.769 -0.308 19684 1220 1 4 . 1 1 41 41 ASP HA H 41 4.331 4.331 4.497 -0.166 19684 1221 1 4 . 1 1 41 41 ASP C C 41 175.720 175.720 175.925 -0.205 19684 1222 1 4 . 1 1 41 41 ASP CA C 41 54.842 54.842 55.150 -0.308 19684 1223 1 4 . 1 1 41 41 ASP CB C 41 39.241 39.241 40.360 -1.119 19684 1224 1 4 . 1 1 41 41 ASP H H 41 8.875 8.875 8.886 -0.011 19684 1225 1 4 . 1 1 42 42 VAL N N 42 120.471 120.471 119.682 0.789 19684 1226 1 4 . 1 1 42 42 VAL HA H 42 4.788 4.788 4.017 0.771 19684 1227 1 4 . 1 1 42 42 VAL C C 42 176.652 176.652 175.177 1.475 19684 1228 1 4 . 1 1 42 42 VAL CA C 42 62.583 62.583 63.682 -1.099 19684 1229 1 4 . 1 1 42 42 VAL CB C 42 31.408 31.408 31.260 0.148 19684 1230 1 4 . 1 1 42 42 VAL H H 42 8.932 8.932 7.754 1.178 19684 1231 1 4 . 1 1 43 43 GLN N N 43 124.450 124.450 125.402 -0.952 19684 1232 1 4 . 1 1 43 43 GLN HA H 43 4.859 4.859 4.876 -0.017 19684 1233 1 4 . 1 1 43 43 GLN C C 43 174.928 174.928 175.697 -0.769 19684 1234 1 4 . 1 1 43 43 GLN CA C 43 53.436 53.436 53.775 -0.339 19684 1235 1 4 . 1 1 43 43 GLN CB C 43 33.482 33.482 32.917 0.565 19684 1236 1 4 . 1 1 43 43 GLN H H 43 9.057 9.057 8.765 0.292 19684 1237 1 4 . 1 1 44 44 THR N N 44 116.345 116.345 117.144 -0.799 19684 1238 1 4 . 1 1 44 44 THR HA H 44 4.149 4.149 4.404 -0.255 19684 1239 1 4 . 1 1 44 44 THR C C 44 174.138 174.138 174.940 -0.802 19684 1240 1 4 . 1 1 44 44 THR CA C 44 64.288 64.288 63.540 0.748 19684 1241 1 4 . 1 1 44 44 THR CB C 44 69.164 69.164 69.185 -0.021 19684 1242 1 4 . 1 1 44 44 THR H H 44 8.640 8.640 8.626 0.014 19684 1243 1 4 . 1 1 45 45 SER N N 45 119.635 119.635 120.761 -1.126 19684 1244 1 4 . 1 1 45 45 SER HA H 45 4.670 4.670 4.883 -0.213 19684 1245 1 4 . 1 1 45 45 SER C C 45 174.304 174.304 175.164 -0.860 19684 1246 1 4 . 1 1 45 45 SER CA C 45 57.064 57.064 57.003 0.061 19684 1247 1 4 . 1 1 45 45 SER CB C 45 65.275 65.275 64.779 0.495 19684 1248 1 4 . 1 1 45 45 SER H H 45 7.971 7.971 7.976 -0.005 19684 1249 1 4 . 1 1 46 46 ARG N N 46 120.482 120.482 119.316 1.166 19684 1250 1 4 . 1 1 46 46 ARG HA H 46 4.170 4.170 4.519 -0.349 19684 1251 1 4 . 1 1 46 46 ARG C C 46 176.486 176.486 176.359 0.127 19684 1252 1 4 . 1 1 46 46 ARG CA C 46 57.675 57.675 56.984 0.691 19684 1253 1 4 . 1 1 46 46 ARG CB C 46 30.019 30.019 31.001 -0.982 19684 1254 1 4 . 1 1 46 46 ARG H H 46 8.491 8.491 8.520 -0.029 19684 1255 1 4 . 1 1 47 47 GLU N N 47 121.489 121.489 121.424 0.065 19684 1256 1 4 . 1 1 47 47 GLU HA H 47 4.820 4.820 4.718 0.102 19684 1257 1 4 . 1 1 47 47 GLU C C 47 173.926 173.926 174.540 -0.614 19684 1258 1 4 . 1 1 47 47 GLU CA C 47 52.716 52.716 53.484 -0.768 19684 1259 1 4 . 1 1 47 47 GLU CB C 47 30.039 30.039 30.028 0.011 19684 1260 1 4 . 1 1 47 47 GLU H H 47 8.530 8.530 7.794 0.736 19684 1261 1 4 . 1 1 48 48 PRO HA H 48 4.363 4.363 4.392 -0.029 19684 1262 1 4 . 1 1 48 48 PRO C C 48 177.954 177.954 177.084 0.870 19684 1263 1 4 . 1 1 48 48 PRO CA C 48 63.672 63.672 64.037 -0.365 19684 1264 1 4 . 1 1 48 48 PRO CB C 48 31.798 31.798 31.747 0.051 19684 1265 1 4 . 1 1 49 49 GLY N N 49 110.220 110.220 110.564 -0.344 19684 1266 1 4 . 1 1 49 49 GLY C C 49 174.196 174.196 173.650 0.546 19684 1267 1 4 . 1 1 49 49 GLY CA C 49 44.965 44.965 44.645 0.320 19684 1268 1 4 . 1 1 49 49 GLY H H 49 8.660 8.660 8.487 0.173 19684 1269 1 4 . 1 1 50 50 TRP N N 50 120.527 120.527 120.844 -0.317 19684 1270 1 4 . 1 1 50 50 TRP HA H 50 5.098 5.098 5.533 -0.435 19684 1271 1 4 . 1 1 50 50 TRP C C 50 175.686 175.686 175.868 -0.182 19684 1272 1 4 . 1 1 50 50 TRP CA C 50 56.460 56.460 56.140 0.320 19684 1273 1 4 . 1 1 50 50 TRP CB C 50 31.745 31.745 31.751 -0.006 19684 1274 1 4 . 1 1 50 50 TRP H H 50 8.025 8.025 7.744 0.281 19684 1275 1 4 . 1 1 51 51 LEU N N 51 123.575 123.575 119.709 3.866 19684 1276 1 4 . 1 1 51 51 LEU HA H 51 4.966 4.966 4.901 0.065 19684 1277 1 4 . 1 1 51 51 LEU C C 51 175.162 175.162 175.375 -0.213 19684 1278 1 4 . 1 1 51 51 LEU CA C 51 52.643 52.643 53.651 -1.008 19684 1279 1 4 . 1 1 51 51 LEU CB C 51 44.214 44.214 46.610 -2.396 19684 1280 1 4 . 1 1 51 51 LEU H H 51 9.635 9.635 9.180 0.455 19684 1281 1 4 . 1 1 52 52 GLU N N 52 119.825 119.825 119.865 -0.040 19684 1282 1 4 . 1 1 52 52 GLU HA H 52 5.180 5.180 5.496 -0.316 19684 1283 1 4 . 1 1 52 52 GLU C C 52 175.082 175.082 175.998 -0.916 19684 1284 1 4 . 1 1 52 52 GLU CA C 52 54.693 54.693 54.862 -0.169 19684 1285 1 4 . 1 1 52 52 GLU CB C 52 32.735 32.735 32.835 -0.100 19684 1286 1 4 . 1 1 52 52 GLU H H 52 9.144 9.144 8.617 0.527 19684 1287 1 4 . 1 1 53 53 GLY N N 53 106.528 106.528 111.510 -4.982 19684 1288 1 4 . 1 1 53 53 GLY C C 53 170.278 170.278 172.893 -2.615 19684 1289 1 4 . 1 1 53 53 GLY CA C 53 45.500 45.500 44.977 0.523 19684 1290 1 4 . 1 1 53 53 GLY H H 53 8.500 8.500 8.066 0.434 19684 1291 1 4 . 1 1 54 54 THR N N 54 115.540 115.540 117.235 -1.695 19684 1292 1 4 . 1 1 54 54 THR HA H 54 5.334 5.334 5.116 0.218 19684 1293 1 4 . 1 1 54 54 THR C C 54 173.549 173.549 173.223 0.326 19684 1294 1 4 . 1 1 54 54 THR CA C 54 61.186 61.186 62.309 -1.123 19684 1295 1 4 . 1 1 54 54 THR CB C 54 69.935 69.935 70.082 -0.147 19684 1296 1 4 . 1 1 54 54 THR H H 54 9.085 9.085 8.657 0.428 19684 1297 1 4 . 1 1 55 55 LEU N N 55 128.613 128.613 128.877 -0.264 19684 1298 1 4 . 1 1 55 55 LEU HA H 55 4.842 4.842 4.812 0.030 19684 1299 1 4 . 1 1 55 55 LEU C C 55 176.045 176.045 176.505 -0.460 19684 1300 1 4 . 1 1 55 55 LEU CA C 55 53.387 53.387 53.696 -0.308 19684 1301 1 4 . 1 1 55 55 LEU CB C 55 45.579 45.579 44.538 1.041 19684 1302 1 4 . 1 1 55 55 LEU H H 55 9.368 9.368 8.474 0.894 19684 1303 1 4 . 1 1 56 56 ASN N N 56 128.674 128.674 124.008 4.666 19684 1304 1 4 . 1 1 56 56 ASN HA H 56 4.403 4.403 4.345 0.058 19684 1305 1 4 . 1 1 56 56 ASN C C 56 175.457 175.457 175.602 -0.145 19684 1306 1 4 . 1 1 56 56 ASN CA C 56 54.126 54.126 55.425 -1.299 19684 1307 1 4 . 1 1 56 56 ASN CB C 56 37.291 37.291 37.687 -0.396 19684 1308 1 4 . 1 1 56 56 ASN H H 56 9.670 9.670 9.184 0.486 19684 1309 1 4 . 1 1 57 57 GLY N N 57 102.683 102.683 107.178 -4.495 19684 1310 1 4 . 1 1 57 57 GLY C C 57 173.175 173.175 172.585 0.590 19684 1311 1 4 . 1 1 57 57 GLY CA C 57 45.263 45.263 45.212 0.051 19684 1312 1 4 . 1 1 57 57 GLY H H 57 8.441 8.441 8.403 0.038 19684 1313 1 4 . 1 1 58 58 LYS N N 58 122.749 122.749 121.383 1.366 19684 1314 1 4 . 1 1 58 58 LYS HA H 58 4.621 4.621 4.660 -0.039 19684 1315 1 4 . 1 1 58 58 LYS C C 58 173.237 173.237 174.910 -1.673 19684 1316 1 4 . 1 1 58 58 LYS CA C 58 54.962 54.962 55.028 -0.066 19684 1317 1 4 . 1 1 58 58 LYS CB C 58 34.303 34.303 35.670 -1.367 19684 1318 1 4 . 1 1 58 58 LYS H H 58 7.847 7.847 7.770 0.077 19684 1319 1 4 . 1 1 59 59 ARG N N 59 127.435 127.435 127.898 -0.463 19684 1320 1 4 . 1 1 59 59 ARG HA H 59 5.417 5.417 5.307 0.110 19684 1321 1 4 . 1 1 59 59 ARG C C 59 176.486 176.486 175.656 0.830 19684 1322 1 4 . 1 1 59 59 ARG CA C 59 54.079 54.079 55.964 -1.885 19684 1323 1 4 . 1 1 59 59 ARG CB C 59 31.815 31.815 31.520 0.295 19684 1324 1 4 . 1 1 59 59 ARG H H 59 8.741 8.741 8.730 0.011 19684 1325 1 4 . 1 1 60 60 GLY N N 60 112.447 112.447 111.532 0.915 19684 1326 1 4 . 1 1 60 60 GLY C C 60 170.709 170.709 172.445 -1.736 19684 1327 1 4 . 1 1 60 60 GLY CA C 60 45.648 45.648 44.761 0.887 19684 1328 1 4 . 1 1 60 60 GLY H H 60 8.745 8.745 8.037 0.708 19684 1329 1 4 . 1 1 61 61 LEU N N 61 117.631 117.631 121.595 -3.964 19684 1330 1 4 . 1 1 61 61 LEU HA H 61 5.330 5.330 4.833 0.497 19684 1331 1 4 . 1 1 61 61 LEU C C 61 178.461 178.461 176.554 1.907 19684 1332 1 4 . 1 1 61 61 LEU CA C 61 54.784 54.784 55.497 -0.713 19684 1333 1 4 . 1 1 61 61 LEU CB C 61 44.075 44.075 42.474 1.601 19684 1334 1 4 . 1 1 61 61 LEU H H 61 8.527 8.527 8.031 0.496 19684 1335 1 4 . 1 1 62 62 ILE N N 62 121.463 121.463 124.534 -3.071 19684 1336 1 4 . 1 1 62 62 ILE HA H 62 4.899 4.899 4.882 0.017 19684 1337 1 4 . 1 1 62 62 ILE C C 62 172.776 172.776 173.784 -1.008 19684 1338 1 4 . 1 1 62 62 ILE CA C 62 58.089 58.089 58.056 0.033 19684 1339 1 4 . 1 1 62 62 ILE CB C 62 43.821 43.821 40.784 3.037 19684 1340 1 4 . 1 1 62 62 ILE H H 62 9.387 9.387 9.214 0.173 19684 1341 1 4 . 1 1 63 63 PRO HA H 63 3.610 3.610 3.961 -0.350 19684 1342 1 4 . 1 1 63 63 PRO C C 63 179.007 179.007 177.124 1.883 19684 1343 1 4 . 1 1 63 63 PRO CA C 63 62.475 62.475 62.347 0.128 19684 1344 1 4 . 1 1 63 63 PRO CB C 63 30.637 30.637 30.778 -0.141 19684 1345 1 4 . 1 1 64 64 GLN N N 64 124.254 124.254 126.530 -2.276 19684 1346 1 4 . 1 1 64 64 GLN HA H 64 3.624 3.624 3.821 -0.197 19684 1347 1 4 . 1 1 64 64 GLN C C 64 176.210 176.210 177.758 -1.548 19684 1348 1 4 . 1 1 64 64 GLN CA C 64 58.984 58.984 59.080 -0.096 19684 1349 1 4 . 1 1 64 64 GLN CB C 64 28.212 28.212 28.604 -0.392 19684 1350 1 4 . 1 1 64 64 GLN H H 64 8.045 8.045 8.294 -0.249 19684 1351 1 4 . 1 1 65 65 ASN N N 65 111.289 111.289 118.098 -6.809 19684 1352 1 4 . 1 1 65 65 ASN HA H 65 4.722 4.722 4.593 0.129 19684 1353 1 4 . 1 1 65 65 ASN C C 65 175.720 175.720 176.626 -0.906 19684 1354 1 4 . 1 1 65 65 ASN CA C 65 53.734 53.734 55.598 -1.864 19684 1355 1 4 . 1 1 65 65 ASN CB C 65 36.735 36.735 38.190 -1.455 19684 1356 1 4 . 1 1 65 65 ASN H H 65 8.543 8.543 8.412 0.131 19684 1357 1 4 . 1 1 66 66 TYR N N 66 118.333 118.333 115.389 2.944 19684 1358 1 4 . 1 1 66 66 TYR HA H 66 4.906 4.906 4.994 -0.088 19684 1359 1 4 . 1 1 66 66 TYR C C 66 175.641 175.641 175.089 0.552 19684 1360 1 4 . 1 1 66 66 TYR CA C 66 57.121 57.121 55.981 1.140 19684 1361 1 4 . 1 1 66 66 TYR CB C 66 37.682 37.682 38.811 -1.129 19684 1362 1 4 . 1 1 66 66 TYR H H 66 7.919 7.919 7.716 0.203 19684 1363 1 4 . 1 1 67 67 VAL N N 67 108.796 108.796 110.906 -2.110 19684 1364 1 4 . 1 1 67 67 VAL HA H 67 5.441 5.441 4.834 0.607 19684 1365 1 4 . 1 1 67 67 VAL C C 67 173.714 173.714 174.484 -0.770 19684 1366 1 4 . 1 1 67 67 VAL CA C 67 57.990 57.990 59.097 -1.107 19684 1367 1 4 . 1 1 67 67 VAL CB C 67 35.467 35.467 35.077 0.390 19684 1368 1 4 . 1 1 67 67 VAL H H 67 7.341 7.341 7.287 0.054 19684 1369 1 4 . 1 1 68 68 LYS N N 68 120.974 120.974 124.661 -3.687 19684 1370 1 4 . 1 1 68 68 LYS HA H 68 4.692 4.692 4.621 0.071 19684 1371 1 4 . 1 1 68 68 LYS C C 68 175.962 175.962 175.635 0.327 19684 1372 1 4 . 1 1 68 68 LYS CA C 68 54.108 54.108 54.477 -0.369 19684 1373 1 4 . 1 1 68 68 LYS CB C 68 35.051 35.051 34.590 0.461 19684 1374 1 4 . 1 1 68 68 LYS H H 68 8.907 8.907 8.328 0.579 19684 1375 1 4 . 1 1 69 69 LEU N N 69 126.343 126.343 128.428 -2.085 19684 1376 1 4 . 1 1 69 69 LEU HA H 69 4.392 4.392 4.494 -0.102 19684 1377 1 4 . 1 1 69 69 LEU C C 69 176.293 176.293 177.261 -0.968 19684 1378 1 4 . 1 1 69 69 LEU CA C 69 55.627 55.627 54.846 0.781 19684 1379 1 4 . 1 1 69 69 LEU CB C 69 41.278 41.278 41.258 0.020 19684 1380 1 4 . 1 1 69 69 LEU H H 69 8.791 8.791 8.669 0.122 19684 1381 1 5 . 1 1 2 2 GLY N N 2 113.935 113.935 110.198 3.737 19684 1382 1 5 . 1 1 2 2 GLY CA C 2 43.362 43.362 44.959 -1.597 19684 1383 1 5 . 1 1 2 2 GLY H H 2 8.251 8.251 8.324 -0.073 19684 1384 1 5 . 1 1 9 9 SER HA H 9 4.375 4.375 4.198 0.177 19684 1385 1 5 . 1 1 9 9 SER CA C 9 58.422 58.422 60.197 -1.774 19684 1386 1 5 . 1 1 9 9 SER CB C 9 63.552 63.552 63.662 -0.110 19684 1387 1 5 . 1 1 10 10 HIS HA H 10 4.622 4.622 4.598 0.024 19684 1388 1 5 . 1 1 10 10 HIS C C 10 174.853 174.853 173.703 1.150 19684 1389 1 5 . 1 1 10 10 HIS CA C 10 55.967 55.967 54.887 1.080 19684 1390 1 5 . 1 1 10 10 HIS CB C 10 30.242 30.242 29.872 0.370 19684 1391 1 5 . 1 1 11 11 MET N N 11 121.242 121.242 123.421 -2.179 19684 1392 1 5 . 1 1 11 11 MET HA H 11 4.432 4.432 4.407 0.025 19684 1393 1 5 . 1 1 11 11 MET C C 11 175.804 175.804 175.969 -0.165 19684 1394 1 5 . 1 1 11 11 MET CA C 11 55.487 55.487 56.217 -0.730 19684 1395 1 5 . 1 1 11 11 MET CB C 11 32.712 32.712 33.004 -0.292 19684 1396 1 5 . 1 1 11 11 MET H H 11 8.210 8.210 7.959 0.251 19684 1397 1 5 . 1 1 12 12 ILE N N 12 122.708 122.708 123.139 -0.431 19684 1398 1 5 . 1 1 12 12 ILE HA H 12 4.173 4.173 4.459 -0.286 19684 1399 1 5 . 1 1 12 12 ILE C C 12 175.916 175.916 176.001 -0.085 19684 1400 1 5 . 1 1 12 12 ILE CA C 12 60.878 60.878 59.978 0.900 19684 1401 1 5 . 1 1 12 12 ILE CB C 12 38.534 38.534 38.763 -0.229 19684 1402 1 5 . 1 1 12 12 ILE H H 12 8.236 8.236 8.322 -0.086 19684 1403 1 5 . 1 1 13 13 ARG N N 13 125.079 125.079 125.639 -0.560 19684 1404 1 5 . 1 1 13 13 ARG HA H 13 4.472 4.472 3.890 0.582 19684 1405 1 5 . 1 1 13 13 ARG C C 13 175.573 175.573 175.729 -0.156 19684 1406 1 5 . 1 1 13 13 ARG CA C 13 55.645 55.645 56.708 -1.062 19684 1407 1 5 . 1 1 13 13 ARG CB C 13 31.256 31.256 30.137 1.119 19684 1408 1 5 . 1 1 13 13 ARG H H 13 8.386 8.386 8.554 -0.168 19684 1409 1 5 . 1 1 14 14 SER N N 14 117.250 117.250 112.981 4.269 19684 1410 1 5 . 1 1 14 14 SER HA H 14 4.441 4.441 4.120 0.321 19684 1411 1 5 . 1 1 14 14 SER C C 14 174.090 174.090 173.543 0.547 19684 1412 1 5 . 1 1 14 14 SER CA C 14 58.062 58.062 59.473 -1.411 19684 1413 1 5 . 1 1 14 14 SER CB C 14 63.638 63.638 62.532 1.106 19684 1414 1 5 . 1 1 14 14 SER H H 14 8.386 8.386 8.816 -0.430 19684 1415 1 5 . 1 1 15 15 ARG N N 15 123.266 123.266 119.354 3.912 19684 1416 1 5 . 1 1 15 15 ARG HA H 15 4.651 4.651 4.340 0.311 19684 1417 1 5 . 1 1 15 15 ARG C C 15 174.913 174.913 176.791 -1.878 19684 1418 1 5 . 1 1 15 15 ARG CA C 15 54.960 54.960 55.133 -0.173 19684 1419 1 5 . 1 1 15 15 ARG CB C 15 31.574 31.574 31.246 0.328 19684 1420 1 5 . 1 1 15 15 ARG H H 15 8.721 8.721 8.035 0.686 19684 1421 1 5 . 1 1 16 16 LYS N N 16 120.105 120.105 120.140 -0.035 19684 1422 1 5 . 1 1 16 16 LYS HA H 16 5.315 5.315 5.329 -0.014 19684 1423 1 5 . 1 1 16 16 LYS C C 16 175.755 175.755 175.789 -0.034 19684 1424 1 5 . 1 1 16 16 LYS CA C 16 54.926 54.926 54.730 0.196 19684 1425 1 5 . 1 1 16 16 LYS CB C 16 36.741 36.741 35.780 0.961 19684 1426 1 5 . 1 1 16 16 LYS H H 16 8.406 8.406 8.066 0.340 19684 1427 1 5 . 1 1 17 17 ALA N N 17 118.564 118.564 120.874 -2.310 19684 1428 1 5 . 1 1 17 17 ALA HA H 17 5.256 5.256 5.088 0.168 19684 1429 1 5 . 1 1 17 17 ALA C C 17 173.884 173.884 175.194 -1.310 19684 1430 1 5 . 1 1 17 17 ALA CA C 17 50.673 50.673 51.008 -0.335 19684 1431 1 5 . 1 1 17 17 ALA CB C 17 23.580 23.580 23.192 0.388 19684 1432 1 5 . 1 1 17 17 ALA H H 17 8.310 8.310 8.364 -0.054 19684 1433 1 5 . 1 1 18 18 ARG N N 18 119.872 119.872 122.112 -2.240 19684 1434 1 5 . 1 1 18 18 ARG HA H 18 5.755 5.755 5.109 0.646 19684 1435 1 5 . 1 1 18 18 ARG C C 18 176.196 176.196 175.470 0.726 19684 1436 1 5 . 1 1 18 18 ARG CA C 18 53.023 53.023 54.150 -1.127 19684 1437 1 5 . 1 1 18 18 ARG CB C 18 34.603 34.603 33.780 0.823 19684 1438 1 5 . 1 1 18 18 ARG H H 18 9.008 9.008 8.545 0.463 19684 1439 1 5 . 1 1 19 19 ALA N N 19 127.577 127.577 131.013 -3.436 19684 1440 1 5 . 1 1 19 19 ALA HA H 19 4.828 4.828 4.543 0.285 19684 1441 1 5 . 1 1 19 19 ALA C C 19 178.887 178.887 177.694 1.193 19684 1442 1 5 . 1 1 19 19 ALA CA C 19 53.215 53.215 52.587 0.629 19684 1443 1 5 . 1 1 19 19 ALA CB C 19 21.164 21.164 19.107 2.057 19684 1444 1 5 . 1 1 19 19 ALA H H 19 9.456 9.456 8.810 0.646 19684 1445 1 5 . 1 1 20 20 VAL N N 20 120.989 120.989 121.697 -0.708 19684 1446 1 5 . 1 1 20 20 VAL HA H 20 4.233 4.233 4.222 0.011 19684 1447 1 5 . 1 1 20 20 VAL C C 20 173.478 173.478 175.158 -1.680 19684 1448 1 5 . 1 1 20 20 VAL CA C 20 61.659 61.659 62.941 -1.282 19684 1449 1 5 . 1 1 20 20 VAL CB C 20 32.406 32.406 32.100 0.306 19684 1450 1 5 . 1 1 20 20 VAL H H 20 9.261 9.261 8.377 0.884 19684 1451 1 5 . 1 1 21 21 TYR N N 21 120.793 120.793 120.051 0.742 19684 1452 1 5 . 1 1 21 21 TYR HA H 21 4.917 4.917 4.943 -0.026 19684 1453 1 5 . 1 1 21 21 TYR C C 21 171.768 171.768 173.819 -2.051 19684 1454 1 5 . 1 1 21 21 TYR CA C 21 54.783 54.783 55.281 -0.498 19684 1455 1 5 . 1 1 21 21 TYR CB C 21 41.028 41.028 39.452 1.576 19684 1456 1 5 . 1 1 21 21 TYR H H 21 7.740 7.740 8.126 -0.386 19684 1457 1 5 . 1 1 22 22 PRO HA H 22 4.569 4.569 4.599 -0.030 19684 1458 1 5 . 1 1 22 22 PRO C C 22 175.447 175.447 175.104 0.343 19684 1459 1 5 . 1 1 22 22 PRO CA C 22 61.784 61.784 62.291 -0.506 19684 1460 1 5 . 1 1 22 22 PRO CB C 22 32.301 32.301 33.164 -0.863 19684 1461 1 5 . 1 1 23 23 CYS N N 23 117.584 117.584 119.399 -1.815 19684 1462 1 5 . 1 1 23 23 CYS HA H 23 4.369 4.369 4.528 -0.159 19684 1463 1 5 . 1 1 23 23 CYS C C 23 173.409 173.409 173.205 0.204 19684 1464 1 5 . 1 1 23 23 CYS CA C 23 58.325 58.325 57.900 0.425 19684 1465 1 5 . 1 1 23 23 CYS CB C 23 30.008 30.008 29.448 0.560 19684 1466 1 5 . 1 1 23 23 CYS H H 23 8.265 8.265 8.434 -0.169 19684 1467 1 5 . 1 1 24 24 GLU N N 24 131.184 131.184 128.781 2.403 19684 1468 1 5 . 1 1 24 24 GLU HA H 24 4.539 4.539 4.458 0.081 19684 1469 1 5 . 1 1 24 24 GLU C C 24 174.814 174.814 175.388 -0.574 19684 1470 1 5 . 1 1 24 24 GLU CA C 24 54.416 54.416 55.443 -1.026 19684 1471 1 5 . 1 1 24 24 GLU CB C 24 30.172 30.172 28.822 1.350 19684 1472 1 5 . 1 1 24 24 GLU H H 24 8.594 8.594 8.516 0.078 19684 1473 1 5 . 1 1 25 25 ALA N N 25 128.937 128.937 128.157 0.780 19684 1474 1 5 . 1 1 25 25 ALA HA H 25 4.180 4.180 4.295 -0.115 19684 1475 1 5 . 1 1 25 25 ALA C C 25 178.154 178.154 178.022 0.132 19684 1476 1 5 . 1 1 25 25 ALA CA C 25 52.809 52.809 52.418 0.391 19684 1477 1 5 . 1 1 25 25 ALA CB C 25 20.779 20.779 19.674 1.105 19684 1478 1 5 . 1 1 25 25 ALA H H 25 8.555 8.555 7.994 0.561 19684 1479 1 5 . 1 1 26 26 GLU N N 26 119.582 119.582 123.546 -3.964 19684 1480 1 5 . 1 1 26 26 GLU HA H 26 4.268 4.268 4.336 -0.068 19684 1481 1 5 . 1 1 26 26 GLU C C 26 175.916 175.916 176.708 -0.792 19684 1482 1 5 . 1 1 26 26 GLU CA C 26 56.345 56.345 56.694 -0.349 19684 1483 1 5 . 1 1 26 26 GLU CB C 26 31.091 31.091 30.800 0.291 19684 1484 1 5 . 1 1 26 26 GLU H H 26 8.613 8.613 9.152 -0.539 19684 1485 1 5 . 1 1 27 27 HIS N N 27 115.533 115.533 120.002 -4.469 19684 1486 1 5 . 1 1 27 27 HIS C C 27 175.986 175.986 175.476 0.510 19684 1487 1 5 . 1 1 27 27 HIS CA C 27 54.711 54.711 54.539 0.172 19684 1488 1 5 . 1 1 27 27 HIS CB C 27 32.077 32.077 32.759 -0.682 19684 1489 1 5 . 1 1 27 27 HIS H H 27 7.418 7.418 8.190 -0.772 19684 1490 1 5 . 1 1 28 28 SER HA H 28 4.255 4.255 4.275 -0.020 19684 1491 1 5 . 1 1 28 28 SER C C 28 174.619 174.619 175.504 -0.885 19684 1492 1 5 . 1 1 28 28 SER CA C 28 60.985 60.985 60.491 0.494 19684 1493 1 5 . 1 1 28 28 SER CB C 28 62.890 62.890 62.880 0.010 19684 1494 1 5 . 1 1 29 29 SER N N 29 114.287 114.287 116.679 -2.392 19684 1495 1 5 . 1 1 29 29 SER HA H 29 4.405 4.405 4.322 0.083 19684 1496 1 5 . 1 1 29 29 SER C C 29 174.305 174.305 174.791 -0.486 19684 1497 1 5 . 1 1 29 29 SER CA C 29 58.564 58.564 60.696 -2.132 19684 1498 1 5 . 1 1 29 29 SER CB C 29 62.953 62.953 63.556 -0.603 19684 1499 1 5 . 1 1 29 29 SER H H 29 8.207 8.207 8.055 0.152 19684 1500 1 5 . 1 1 30 30 GLU N N 30 122.312 122.312 120.573 1.739 19684 1501 1 5 . 1 1 30 30 GLU HA H 30 4.690 4.690 4.595 0.095 19684 1502 1 5 . 1 1 30 30 GLU C C 30 175.373 175.373 176.323 -0.950 19684 1503 1 5 . 1 1 30 30 GLU CA C 30 54.894 54.894 56.564 -1.670 19684 1504 1 5 . 1 1 30 30 GLU CB C 30 31.495 31.495 30.497 0.998 19684 1505 1 5 . 1 1 30 30 GLU H H 30 7.798 7.798 8.099 -0.301 19684 1506 1 5 . 1 1 31 31 LEU N N 31 118.829 118.829 124.408 -5.579 19684 1507 1 5 . 1 1 31 31 LEU HA H 31 4.686 4.686 4.768 -0.082 19684 1508 1 5 . 1 1 31 31 LEU C C 31 177.013 177.013 176.431 0.582 19684 1509 1 5 . 1 1 31 31 LEU CA C 31 54.627 54.627 54.419 0.208 19684 1510 1 5 . 1 1 31 31 LEU CB C 31 43.640 43.640 43.611 0.029 19684 1511 1 5 . 1 1 31 31 LEU H H 31 8.084 8.084 8.925 -0.841 19684 1512 1 5 . 1 1 32 32 SER N N 32 115.422 115.422 118.733 -3.311 19684 1513 1 5 . 1 1 32 32 SER HA H 32 4.863 4.863 5.280 -0.417 19684 1514 1 5 . 1 1 32 32 SER C C 32 173.966 173.966 174.300 -0.334 19684 1515 1 5 . 1 1 32 32 SER CA C 32 57.745 57.745 57.593 0.152 19684 1516 1 5 . 1 1 32 32 SER CB C 32 64.735 64.735 64.114 0.621 19684 1517 1 5 . 1 1 32 32 SER H H 32 8.054 8.054 8.804 -0.750 19684 1518 1 5 . 1 1 33 33 PHE N N 33 116.920 116.920 122.558 -5.638 19684 1519 1 5 . 1 1 33 33 PHE HA H 33 4.889 4.889 5.035 -0.146 19684 1520 1 5 . 1 1 33 33 PHE C C 33 173.660 173.660 173.055 0.605 19684 1521 1 5 . 1 1 33 33 PHE CA C 33 56.261 56.261 56.880 -0.619 19684 1522 1 5 . 1 1 33 33 PHE CB C 33 39.272 39.272 40.227 -0.955 19684 1523 1 5 . 1 1 33 33 PHE H H 33 8.697 8.697 8.490 0.207 19684 1524 1 5 . 1 1 34 34 GLU N N 34 119.852 119.852 118.553 1.299 19684 1525 1 5 . 1 1 34 34 GLU HA H 34 4.622 4.622 4.855 -0.233 19684 1526 1 5 . 1 1 34 34 GLU C C 34 176.044 176.044 175.403 0.641 19684 1527 1 5 . 1 1 34 34 GLU CA C 34 53.759 53.759 54.149 -0.390 19684 1528 1 5 . 1 1 34 34 GLU CB C 34 31.878 31.878 32.835 -0.957 19684 1529 1 5 . 1 1 34 34 GLU H H 34 8.616 8.616 8.856 -0.240 19684 1530 1 5 . 1 1 35 35 ILE N N 35 118.386 118.386 121.314 -2.928 19684 1531 1 5 . 1 1 35 35 ILE HA H 35 3.173 3.173 3.875 -0.702 19684 1532 1 5 . 1 1 35 35 ILE C C 35 177.205 177.205 177.219 -0.014 19684 1533 1 5 . 1 1 35 35 ILE CA C 35 64.926 64.926 63.324 1.602 19684 1534 1 5 . 1 1 35 35 ILE CB C 35 38.013 38.013 36.605 1.408 19684 1535 1 5 . 1 1 35 35 ILE H H 35 8.428 8.428 8.685 -0.257 19684 1536 1 5 . 1 1 36 36 GLY N N 36 114.528 114.528 115.813 -1.285 19684 1537 1 5 . 1 1 36 36 GLY C C 36 173.669 173.669 173.990 -0.321 19684 1538 1 5 . 1 1 36 36 GLY CA C 36 44.601 44.601 44.667 -0.066 19684 1539 1 5 . 1 1 36 36 GLY H H 36 8.568 8.568 8.646 -0.078 19684 1540 1 5 . 1 1 37 37 ALA N N 37 123.910 123.910 125.655 -1.745 19684 1541 1 5 . 1 1 37 37 ALA HA H 37 3.975 3.975 4.103 -0.128 19684 1542 1 5 . 1 1 37 37 ALA C C 37 175.106 175.106 176.340 -1.234 19684 1543 1 5 . 1 1 37 37 ALA CA C 37 53.061 53.061 52.191 0.870 19684 1544 1 5 . 1 1 37 37 ALA CB C 37 19.337 19.337 18.859 0.478 19684 1545 1 5 . 1 1 37 37 ALA H H 37 7.564 7.564 7.698 -0.134 19684 1546 1 5 . 1 1 38 38 ILE N N 38 120.298 120.298 124.694 -4.396 19684 1547 1 5 . 1 1 38 38 ILE HA H 38 4.867 4.867 4.780 0.087 19684 1548 1 5 . 1 1 38 38 ILE C C 38 174.910 174.910 175.485 -0.575 19684 1549 1 5 . 1 1 38 38 ILE CA C 38 58.050 58.050 59.309 -1.259 19684 1550 1 5 . 1 1 38 38 ILE CB C 38 38.080 38.080 37.195 0.885 19684 1551 1 5 . 1 1 38 38 ILE H H 38 7.843 7.843 8.006 -0.163 19684 1552 1 5 . 1 1 39 39 PHE N N 39 124.481 124.481 127.574 -3.093 19684 1553 1 5 . 1 1 39 39 PHE HA H 39 4.889 4.889 5.254 -0.365 19684 1554 1 5 . 1 1 39 39 PHE C C 39 175.106 175.106 175.787 -0.681 19684 1555 1 5 . 1 1 39 39 PHE CA C 39 55.542 55.542 55.984 -0.442 19684 1556 1 5 . 1 1 39 39 PHE CB C 39 42.173 42.173 41.721 0.452 19684 1557 1 5 . 1 1 39 39 PHE H H 39 8.884 8.884 8.915 -0.031 19684 1558 1 5 . 1 1 40 40 GLU N N 40 117.747 117.747 119.607 -1.860 19684 1559 1 5 . 1 1 40 40 GLU HA H 40 4.788 4.788 4.932 -0.144 19684 1560 1 5 . 1 1 40 40 GLU C C 40 175.797 175.797 175.957 -0.160 19684 1561 1 5 . 1 1 40 40 GLU CA C 40 53.945 53.945 55.273 -1.328 19684 1562 1 5 . 1 1 40 40 GLU CB C 40 32.928 32.928 33.719 -0.791 19684 1563 1 5 . 1 1 40 40 GLU H H 40 9.047 9.047 8.714 0.333 19684 1564 1 5 . 1 1 41 41 ASP N N 41 120.461 120.461 122.766 -2.305 19684 1565 1 5 . 1 1 41 41 ASP HA H 41 4.331 4.331 4.357 -0.026 19684 1566 1 5 . 1 1 41 41 ASP C C 41 175.720 175.720 174.866 0.854 19684 1567 1 5 . 1 1 41 41 ASP CA C 41 54.842 54.842 55.138 -0.296 19684 1568 1 5 . 1 1 41 41 ASP CB C 41 39.241 39.241 40.135 -0.894 19684 1569 1 5 . 1 1 41 41 ASP H H 41 8.875 8.875 8.566 0.309 19684 1570 1 5 . 1 1 42 42 VAL N N 42 120.471 120.471 118.995 1.476 19684 1571 1 5 . 1 1 42 42 VAL HA H 42 4.788 4.788 4.110 0.678 19684 1572 1 5 . 1 1 42 42 VAL C C 42 176.652 176.652 176.074 0.578 19684 1573 1 5 . 1 1 42 42 VAL CA C 42 62.583 62.583 62.833 -0.250 19684 1574 1 5 . 1 1 42 42 VAL CB C 42 31.408 31.408 31.128 0.280 19684 1575 1 5 . 1 1 42 42 VAL H H 42 8.932 8.932 7.742 1.190 19684 1576 1 5 . 1 1 43 43 GLN N N 43 124.450 124.450 126.558 -2.108 19684 1577 1 5 . 1 1 43 43 GLN HA H 43 4.859 4.859 4.765 0.094 19684 1578 1 5 . 1 1 43 43 GLN C C 43 174.928 174.928 175.219 -0.291 19684 1579 1 5 . 1 1 43 43 GLN CA C 43 53.436 53.436 53.621 -0.185 19684 1580 1 5 . 1 1 43 43 GLN CB C 43 33.482 33.482 32.478 1.004 19684 1581 1 5 . 1 1 43 43 GLN H H 43 9.057 9.057 8.747 0.310 19684 1582 1 5 . 1 1 44 44 THR N N 44 116.345 116.345 117.187 -0.842 19684 1583 1 5 . 1 1 44 44 THR HA H 44 4.149 4.149 4.402 -0.253 19684 1584 1 5 . 1 1 44 44 THR C C 44 174.138 174.138 173.991 0.147 19684 1585 1 5 . 1 1 44 44 THR CA C 44 64.288 64.288 62.268 2.020 19684 1586 1 5 . 1 1 44 44 THR CB C 44 69.164 69.164 69.500 -0.336 19684 1587 1 5 . 1 1 44 44 THR H H 44 8.640 8.640 8.450 0.190 19684 1588 1 5 . 1 1 45 45 SER N N 45 119.635 119.635 121.047 -1.412 19684 1589 1 5 . 1 1 45 45 SER HA H 45 4.670 4.670 4.755 -0.085 19684 1590 1 5 . 1 1 45 45 SER C C 45 174.304 174.304 175.178 -0.874 19684 1591 1 5 . 1 1 45 45 SER CA C 45 57.064 57.064 56.775 0.289 19684 1592 1 5 . 1 1 45 45 SER CB C 45 65.275 65.275 64.268 1.007 19684 1593 1 5 . 1 1 45 45 SER H H 45 7.971 7.971 8.535 -0.564 19684 1594 1 5 . 1 1 46 46 ARG N N 46 120.482 120.482 121.397 -0.915 19684 1595 1 5 . 1 1 46 46 ARG HA H 46 4.170 4.170 4.327 -0.157 19684 1596 1 5 . 1 1 46 46 ARG C C 46 176.486 176.486 176.348 0.138 19684 1597 1 5 . 1 1 46 46 ARG CA C 46 57.675 57.675 56.711 0.964 19684 1598 1 5 . 1 1 46 46 ARG CB C 46 30.019 30.019 30.020 -0.001 19684 1599 1 5 . 1 1 46 46 ARG H H 46 8.491 8.491 8.591 -0.100 19684 1600 1 5 . 1 1 47 47 GLU N N 47 121.489 121.489 121.464 0.025 19684 1601 1 5 . 1 1 47 47 GLU HA H 47 4.820 4.820 4.523 0.297 19684 1602 1 5 . 1 1 47 47 GLU C C 47 173.926 173.926 174.718 -0.792 19684 1603 1 5 . 1 1 47 47 GLU CA C 47 52.716 52.716 54.478 -1.762 19684 1604 1 5 . 1 1 47 47 GLU CB C 47 30.039 30.039 29.046 0.993 19684 1605 1 5 . 1 1 47 47 GLU H H 47 8.530 8.530 7.903 0.627 19684 1606 1 5 . 1 1 48 48 PRO HA H 48 4.363 4.363 4.349 0.013 19684 1607 1 5 . 1 1 48 48 PRO C C 48 177.954 177.954 176.956 0.998 19684 1608 1 5 . 1 1 48 48 PRO CA C 48 63.672 63.672 63.965 -0.293 19684 1609 1 5 . 1 1 48 48 PRO CB C 48 31.798 31.798 31.652 0.146 19684 1610 1 5 . 1 1 49 49 GLY N N 49 110.220 110.220 110.840 -0.620 19684 1611 1 5 . 1 1 49 49 GLY C C 49 174.196 174.196 173.629 0.567 19684 1612 1 5 . 1 1 49 49 GLY CA C 49 44.965 44.965 44.818 0.147 19684 1613 1 5 . 1 1 49 49 GLY H H 49 8.660 8.660 8.479 0.181 19684 1614 1 5 . 1 1 50 50 TRP N N 50 120.527 120.527 120.495 0.032 19684 1615 1 5 . 1 1 50 50 TRP HA H 50 5.098 5.098 5.309 -0.211 19684 1616 1 5 . 1 1 50 50 TRP C C 50 175.686 175.686 175.611 0.075 19684 1617 1 5 . 1 1 50 50 TRP CA C 50 56.460 56.460 56.135 0.325 19684 1618 1 5 . 1 1 50 50 TRP CB C 50 31.745 31.745 30.740 1.005 19684 1619 1 5 . 1 1 50 50 TRP H H 50 8.025 8.025 7.677 0.348 19684 1620 1 5 . 1 1 51 51 LEU N N 51 123.575 123.575 122.086 1.489 19684 1621 1 5 . 1 1 51 51 LEU HA H 51 4.966 4.966 4.942 0.024 19684 1622 1 5 . 1 1 51 51 LEU C C 51 175.162 175.162 176.033 -0.871 19684 1623 1 5 . 1 1 51 51 LEU CA C 51 52.643 52.643 53.896 -1.253 19684 1624 1 5 . 1 1 51 51 LEU CB C 51 44.214 44.214 44.266 -0.052 19684 1625 1 5 . 1 1 51 51 LEU H H 51 9.635 9.635 8.984 0.651 19684 1626 1 5 . 1 1 52 52 GLU N N 52 119.825 119.825 120.317 -0.492 19684 1627 1 5 . 1 1 52 52 GLU HA H 52 5.180 5.180 5.422 -0.242 19684 1628 1 5 . 1 1 52 52 GLU C C 52 175.082 175.082 175.389 -0.307 19684 1629 1 5 . 1 1 52 52 GLU CA C 52 54.693 54.693 54.837 -0.144 19684 1630 1 5 . 1 1 52 52 GLU CB C 52 32.735 32.735 33.360 -0.625 19684 1631 1 5 . 1 1 52 52 GLU H H 52 9.144 9.144 8.519 0.625 19684 1632 1 5 . 1 1 53 53 GLY N N 53 106.528 106.528 113.199 -6.671 19684 1633 1 5 . 1 1 53 53 GLY C C 53 170.278 170.278 172.370 -2.092 19684 1634 1 5 . 1 1 53 53 GLY CA C 53 45.500 45.500 45.659 -0.159 19684 1635 1 5 . 1 1 53 53 GLY H H 53 8.500 8.500 8.658 -0.158 19684 1636 1 5 . 1 1 54 54 THR N N 54 115.540 115.540 117.060 -1.520 19684 1637 1 5 . 1 1 54 54 THR HA H 54 5.334 5.334 4.667 0.667 19684 1638 1 5 . 1 1 54 54 THR C C 54 173.549 173.549 172.924 0.625 19684 1639 1 5 . 1 1 54 54 THR CA C 54 61.186 61.186 62.386 -1.200 19684 1640 1 5 . 1 1 54 54 THR CB C 54 69.935 69.935 70.387 -0.452 19684 1641 1 5 . 1 1 54 54 THR H H 54 9.085 9.085 8.564 0.521 19684 1642 1 5 . 1 1 55 55 LEU N N 55 128.613 128.613 128.967 -0.354 19684 1643 1 5 . 1 1 55 55 LEU HA H 55 4.842 4.842 4.649 0.193 19684 1644 1 5 . 1 1 55 55 LEU C C 55 176.045 176.045 175.906 0.139 19684 1645 1 5 . 1 1 55 55 LEU CA C 55 53.387 53.387 53.703 -0.316 19684 1646 1 5 . 1 1 55 55 LEU CB C 55 45.579 45.579 44.298 1.281 19684 1647 1 5 . 1 1 55 55 LEU H H 55 9.368 9.368 8.630 0.738 19684 1648 1 5 . 1 1 56 56 ASN N N 56 128.674 128.674 125.849 2.825 19684 1649 1 5 . 1 1 56 56 ASN HA H 56 4.403 4.403 4.387 0.016 19684 1650 1 5 . 1 1 56 56 ASN C C 56 175.457 175.457 175.504 -0.047 19684 1651 1 5 . 1 1 56 56 ASN CA C 56 54.126 54.126 53.988 0.138 19684 1652 1 5 . 1 1 56 56 ASN CB C 56 37.291 37.291 36.810 0.481 19684 1653 1 5 . 1 1 56 56 ASN H H 56 9.670 9.670 9.322 0.348 19684 1654 1 5 . 1 1 57 57 GLY N N 57 102.683 102.683 103.576 -0.893 19684 1655 1 5 . 1 1 57 57 GLY C C 57 173.175 173.175 173.481 -0.306 19684 1656 1 5 . 1 1 57 57 GLY CA C 57 45.263 45.263 44.994 0.269 19684 1657 1 5 . 1 1 57 57 GLY H H 57 8.441 8.441 8.444 -0.003 19684 1658 1 5 . 1 1 58 58 LYS N N 58 122.749 122.749 121.586 1.163 19684 1659 1 5 . 1 1 58 58 LYS HA H 58 4.621 4.621 4.570 0.051 19684 1660 1 5 . 1 1 58 58 LYS C C 58 173.237 173.237 175.014 -1.777 19684 1661 1 5 . 1 1 58 58 LYS CA C 58 54.962 54.962 55.112 -0.150 19684 1662 1 5 . 1 1 58 58 LYS CB C 58 34.303 34.303 34.411 -0.108 19684 1663 1 5 . 1 1 58 58 LYS H H 58 7.847 7.847 7.717 0.130 19684 1664 1 5 . 1 1 59 59 ARG N N 59 127.435 127.435 128.364 -0.929 19684 1665 1 5 . 1 1 59 59 ARG HA H 59 5.417 5.417 5.050 0.367 19684 1666 1 5 . 1 1 59 59 ARG C C 59 176.486 176.486 175.610 0.876 19684 1667 1 5 . 1 1 59 59 ARG CA C 59 54.079 54.079 55.549 -1.470 19684 1668 1 5 . 1 1 59 59 ARG CB C 59 31.815 31.815 32.218 -0.403 19684 1669 1 5 . 1 1 59 59 ARG H H 59 8.741 8.741 8.813 -0.072 19684 1670 1 5 . 1 1 60 60 GLY N N 60 112.447 112.447 111.802 0.645 19684 1671 1 5 . 1 1 60 60 GLY C C 60 170.709 170.709 172.195 -1.486 19684 1672 1 5 . 1 1 60 60 GLY CA C 60 45.648 45.648 45.142 0.506 19684 1673 1 5 . 1 1 60 60 GLY H H 60 8.745 8.745 8.451 0.294 19684 1674 1 5 . 1 1 61 61 LEU N N 61 117.631 117.631 121.610 -3.979 19684 1675 1 5 . 1 1 61 61 LEU HA H 61 5.330 5.330 4.966 0.364 19684 1676 1 5 . 1 1 61 61 LEU C C 61 178.461 178.461 176.571 1.890 19684 1677 1 5 . 1 1 61 61 LEU CA C 61 54.784 54.784 55.330 -0.546 19684 1678 1 5 . 1 1 61 61 LEU CB C 61 44.075 44.075 42.712 1.363 19684 1679 1 5 . 1 1 61 61 LEU H H 61 8.527 8.527 8.076 0.451 19684 1680 1 5 . 1 1 62 62 ILE N N 62 121.463 121.463 122.983 -1.520 19684 1681 1 5 . 1 1 62 62 ILE HA H 62 4.899 4.899 4.857 0.042 19684 1682 1 5 . 1 1 62 62 ILE C C 62 172.776 172.776 173.677 -0.901 19684 1683 1 5 . 1 1 62 62 ILE CA C 62 58.089 58.089 58.111 -0.022 19684 1684 1 5 . 1 1 62 62 ILE CB C 62 43.821 43.821 40.077 3.744 19684 1685 1 5 . 1 1 62 62 ILE H H 62 9.387 9.387 9.113 0.274 19684 1686 1 5 . 1 1 63 63 PRO HA H 63 3.610 3.610 3.942 -0.332 19684 1687 1 5 . 1 1 63 63 PRO C C 63 179.007 179.007 177.437 1.570 19684 1688 1 5 . 1 1 63 63 PRO CA C 63 62.475 62.475 62.466 0.009 19684 1689 1 5 . 1 1 63 63 PRO CB C 63 30.637 30.637 30.801 -0.164 19684 1690 1 5 . 1 1 64 64 GLN N N 64 124.254 124.254 126.454 -2.200 19684 1691 1 5 . 1 1 64 64 GLN HA H 64 3.624 3.624 3.783 -0.159 19684 1692 1 5 . 1 1 64 64 GLN C C 64 176.210 176.210 177.655 -1.445 19684 1693 1 5 . 1 1 64 64 GLN CA C 64 58.984 58.984 59.008 -0.024 19684 1694 1 5 . 1 1 64 64 GLN CB C 64 28.212 28.212 27.941 0.271 19684 1695 1 5 . 1 1 64 64 GLN H H 64 8.045 8.045 7.930 0.115 19684 1696 1 5 . 1 1 65 65 ASN N N 65 111.289 111.289 117.910 -6.621 19684 1697 1 5 . 1 1 65 65 ASN HA H 65 4.722 4.722 4.536 0.186 19684 1698 1 5 . 1 1 65 65 ASN C C 65 175.720 175.720 176.444 -0.724 19684 1699 1 5 . 1 1 65 65 ASN CA C 65 53.734 53.734 55.477 -1.743 19684 1700 1 5 . 1 1 65 65 ASN CB C 65 36.735 36.735 37.778 -1.043 19684 1701 1 5 . 1 1 65 65 ASN H H 65 8.543 8.543 8.285 0.258 19684 1702 1 5 . 1 1 66 66 TYR N N 66 118.333 118.333 116.124 2.209 19684 1703 1 5 . 1 1 66 66 TYR HA H 66 4.906 4.906 4.922 -0.016 19684 1704 1 5 . 1 1 66 66 TYR C C 66 175.641 175.641 175.349 0.292 19684 1705 1 5 . 1 1 66 66 TYR CA C 66 57.121 57.121 56.527 0.594 19684 1706 1 5 . 1 1 66 66 TYR CB C 66 37.682 37.682 38.479 -0.797 19684 1707 1 5 . 1 1 66 66 TYR H H 66 7.919 7.919 7.588 0.331 19684 1708 1 5 . 1 1 67 67 VAL N N 67 108.796 108.796 110.217 -1.421 19684 1709 1 5 . 1 1 67 67 VAL HA H 67 5.441 5.441 4.948 0.493 19684 1710 1 5 . 1 1 67 67 VAL C C 67 173.714 173.714 174.657 -0.943 19684 1711 1 5 . 1 1 67 67 VAL CA C 67 57.990 57.990 58.666 -0.676 19684 1712 1 5 . 1 1 67 67 VAL CB C 67 35.467 35.467 35.261 0.206 19684 1713 1 5 . 1 1 67 67 VAL H H 67 7.341 7.341 7.348 -0.007 19684 1714 1 5 . 1 1 68 68 LYS N N 68 120.974 120.974 122.097 -1.123 19684 1715 1 5 . 1 1 68 68 LYS HA H 68 4.692 4.692 4.603 0.089 19684 1716 1 5 . 1 1 68 68 LYS C C 68 175.962 175.962 175.671 0.291 19684 1717 1 5 . 1 1 68 68 LYS CA C 68 54.108 54.108 54.447 -0.339 19684 1718 1 5 . 1 1 68 68 LYS CB C 68 35.051 35.051 35.290 -0.239 19684 1719 1 5 . 1 1 68 68 LYS H H 68 8.907 8.907 8.228 0.679 19684 1720 1 5 . 1 1 69 69 LEU N N 69 126.343 126.343 128.089 -1.746 19684 1721 1 5 . 1 1 69 69 LEU HA H 69 4.392 4.392 4.470 -0.078 19684 1722 1 5 . 1 1 69 69 LEU C C 69 176.293 176.293 176.996 -0.703 19684 1723 1 5 . 1 1 69 69 LEU CA C 69 55.627 55.627 55.463 0.164 19684 1724 1 5 . 1 1 69 69 LEU CB C 69 41.278 41.278 41.059 0.219 19684 1725 1 5 . 1 1 69 69 LEU H H 69 8.791 8.791 8.717 0.074 19684 1726 1 6 . 1 1 2 2 GLY N N 2 113.935 113.935 108.549 5.386 19684 1727 1 6 . 1 1 2 2 GLY CA C 2 43.362 43.362 44.749 -1.387 19684 1728 1 6 . 1 1 2 2 GLY H H 2 8.251 8.251 8.460 -0.209 19684 1729 1 6 . 1 1 9 9 SER HA H 9 4.375 4.375 4.176 0.199 19684 1730 1 6 . 1 1 9 9 SER CA C 9 58.422 58.422 59.170 -0.748 19684 1731 1 6 . 1 1 9 9 SER CB C 9 63.552 63.552 63.442 0.110 19684 1732 1 6 . 1 1 10 10 HIS HA H 10 4.622 4.622 4.622 0.000 19684 1733 1 6 . 1 1 10 10 HIS C C 10 174.853 174.853 174.305 0.548 19684 1734 1 6 . 1 1 10 10 HIS CA C 10 55.967 55.967 55.751 0.216 19684 1735 1 6 . 1 1 10 10 HIS CB C 10 30.242 30.242 30.550 -0.308 19684 1736 1 6 . 1 1 11 11 MET N N 11 121.242 121.242 121.796 -0.554 19684 1737 1 6 . 1 1 11 11 MET HA H 11 4.432 4.432 4.395 0.037 19684 1738 1 6 . 1 1 11 11 MET C C 11 175.804 175.804 176.319 -0.515 19684 1739 1 6 . 1 1 11 11 MET CA C 11 55.487 55.487 55.412 0.075 19684 1740 1 6 . 1 1 11 11 MET CB C 11 32.712 32.712 33.057 -0.345 19684 1741 1 6 . 1 1 11 11 MET H H 11 8.210 8.210 8.391 -0.181 19684 1742 1 6 . 1 1 12 12 ILE N N 12 122.708 122.708 124.530 -1.822 19684 1743 1 6 . 1 1 12 12 ILE HA H 12 4.173 4.173 4.073 0.100 19684 1744 1 6 . 1 1 12 12 ILE C C 12 175.916 175.916 175.786 0.130 19684 1745 1 6 . 1 1 12 12 ILE CA C 12 60.878 60.878 61.779 -0.901 19684 1746 1 6 . 1 1 12 12 ILE CB C 12 38.534 38.534 36.980 1.554 19684 1747 1 6 . 1 1 12 12 ILE H H 12 8.236 8.236 8.239 -0.003 19684 1748 1 6 . 1 1 13 13 ARG N N 13 125.079 125.079 128.774 -3.695 19684 1749 1 6 . 1 1 13 13 ARG HA H 13 4.472 4.472 4.483 -0.011 19684 1750 1 6 . 1 1 13 13 ARG C C 13 175.573 175.573 174.695 0.878 19684 1751 1 6 . 1 1 13 13 ARG CA C 13 55.645 55.645 55.633 0.012 19684 1752 1 6 . 1 1 13 13 ARG CB C 13 31.256 31.256 32.501 -1.245 19684 1753 1 6 . 1 1 13 13 ARG H H 13 8.386 8.386 8.445 -0.059 19684 1754 1 6 . 1 1 14 14 SER N N 14 117.250 117.250 117.714 -0.464 19684 1755 1 6 . 1 1 14 14 SER HA H 14 4.441 4.441 4.629 -0.188 19684 1756 1 6 . 1 1 14 14 SER C C 14 174.090 174.090 174.408 -0.318 19684 1757 1 6 . 1 1 14 14 SER CA C 14 58.062 58.062 57.817 0.245 19684 1758 1 6 . 1 1 14 14 SER CB C 14 63.638 63.638 64.579 -0.940 19684 1759 1 6 . 1 1 14 14 SER H H 14 8.386 8.386 8.649 -0.263 19684 1760 1 6 . 1 1 15 15 ARG N N 15 123.266 123.266 126.509 -3.243 19684 1761 1 6 . 1 1 15 15 ARG HA H 15 4.651 4.651 4.624 0.027 19684 1762 1 6 . 1 1 15 15 ARG C C 15 174.913 174.913 175.312 -0.399 19684 1763 1 6 . 1 1 15 15 ARG CA C 15 54.960 54.960 54.310 0.650 19684 1764 1 6 . 1 1 15 15 ARG CB C 15 31.574 31.574 32.144 -0.570 19684 1765 1 6 . 1 1 15 15 ARG H H 15 8.721 8.721 8.355 0.366 19684 1766 1 6 . 1 1 16 16 LYS N N 16 120.105 120.105 118.708 1.397 19684 1767 1 6 . 1 1 16 16 LYS HA H 16 5.315 5.315 5.510 -0.195 19684 1768 1 6 . 1 1 16 16 LYS C C 16 175.755 175.755 175.711 0.044 19684 1769 1 6 . 1 1 16 16 LYS CA C 16 54.926 54.926 54.660 0.266 19684 1770 1 6 . 1 1 16 16 LYS CB C 16 36.741 36.741 37.075 -0.334 19684 1771 1 6 . 1 1 16 16 LYS H H 16 8.406 8.406 8.424 -0.018 19684 1772 1 6 . 1 1 17 17 ALA N N 17 118.564 118.564 121.165 -2.601 19684 1773 1 6 . 1 1 17 17 ALA HA H 17 5.256 5.256 5.058 0.198 19684 1774 1 6 . 1 1 17 17 ALA C C 17 173.884 173.884 175.038 -1.154 19684 1775 1 6 . 1 1 17 17 ALA CA C 17 50.673 50.673 51.042 -0.369 19684 1776 1 6 . 1 1 17 17 ALA CB C 17 23.580 23.580 23.413 0.168 19684 1777 1 6 . 1 1 17 17 ALA H H 17 8.310 8.310 8.408 -0.098 19684 1778 1 6 . 1 1 18 18 ARG N N 18 119.872 119.872 120.253 -0.381 19684 1779 1 6 . 1 1 18 18 ARG HA H 18 5.755 5.755 5.167 0.588 19684 1780 1 6 . 1 1 18 18 ARG C C 18 176.196 176.196 175.198 0.998 19684 1781 1 6 . 1 1 18 18 ARG CA C 18 53.023 53.023 54.773 -1.750 19684 1782 1 6 . 1 1 18 18 ARG CB C 18 34.603 34.603 34.104 0.499 19684 1783 1 6 . 1 1 18 18 ARG H H 18 9.008 9.008 8.547 0.461 19684 1784 1 6 . 1 1 19 19 ALA N N 19 127.577 127.577 131.041 -3.464 19684 1785 1 6 . 1 1 19 19 ALA HA H 19 4.828 4.828 4.524 0.304 19684 1786 1 6 . 1 1 19 19 ALA C C 19 178.887 178.887 177.269 1.618 19684 1787 1 6 . 1 1 19 19 ALA CA C 19 53.215 53.215 52.680 0.535 19684 1788 1 6 . 1 1 19 19 ALA CB C 19 21.164 21.164 19.134 2.030 19684 1789 1 6 . 1 1 19 19 ALA H H 19 9.456 9.456 8.860 0.596 19684 1790 1 6 . 1 1 20 20 VAL N N 20 120.989 120.989 121.597 -0.608 19684 1791 1 6 . 1 1 20 20 VAL HA H 20 4.233 4.233 4.264 -0.031 19684 1792 1 6 . 1 1 20 20 VAL C C 20 173.478 173.478 175.210 -1.732 19684 1793 1 6 . 1 1 20 20 VAL CA C 20 61.659 61.659 62.793 -1.134 19684 1794 1 6 . 1 1 20 20 VAL CB C 20 32.406 32.406 32.015 0.391 19684 1795 1 6 . 1 1 20 20 VAL H H 20 9.261 9.261 8.419 0.842 19684 1796 1 6 . 1 1 21 21 TYR N N 21 120.793 120.793 120.826 -0.033 19684 1797 1 6 . 1 1 21 21 TYR HA H 21 4.917 4.917 4.875 0.042 19684 1798 1 6 . 1 1 21 21 TYR C C 21 171.768 171.768 173.608 -1.840 19684 1799 1 6 . 1 1 21 21 TYR CA C 21 54.783 54.783 54.955 -0.172 19684 1800 1 6 . 1 1 21 21 TYR CB C 21 41.028 41.028 39.239 1.789 19684 1801 1 6 . 1 1 21 21 TYR H H 21 7.740 7.740 7.927 -0.187 19684 1802 1 6 . 1 1 22 22 PRO HA H 22 4.569 4.569 4.685 -0.116 19684 1803 1 6 . 1 1 22 22 PRO C C 22 175.447 175.447 175.220 0.227 19684 1804 1 6 . 1 1 22 22 PRO CA C 22 61.784 61.784 62.671 -0.887 19684 1805 1 6 . 1 1 22 22 PRO CB C 22 32.301 32.301 33.023 -0.722 19684 1806 1 6 . 1 1 23 23 CYS N N 23 117.584 117.584 118.559 -0.975 19684 1807 1 6 . 1 1 23 23 CYS HA H 23 4.369 4.369 4.810 -0.441 19684 1808 1 6 . 1 1 23 23 CYS C C 23 173.409 173.409 173.328 0.081 19684 1809 1 6 . 1 1 23 23 CYS CA C 23 58.325 58.325 56.211 2.114 19684 1810 1 6 . 1 1 23 23 CYS CB C 23 30.008 30.008 30.369 -0.361 19684 1811 1 6 . 1 1 23 23 CYS H H 23 8.265 8.265 8.048 0.217 19684 1812 1 6 . 1 1 24 24 GLU N N 24 131.184 131.184 120.753 10.431 19684 1813 1 6 . 1 1 24 24 GLU HA H 24 4.539 4.539 4.456 0.083 19684 1814 1 6 . 1 1 24 24 GLU C C 24 174.814 174.814 174.902 -0.088 19684 1815 1 6 . 1 1 24 24 GLU CA C 24 54.416 54.416 54.843 -0.427 19684 1816 1 6 . 1 1 24 24 GLU CB C 24 30.172 30.172 32.201 -2.029 19684 1817 1 6 . 1 1 24 24 GLU H H 24 8.594 8.594 8.578 0.016 19684 1818 1 6 . 1 1 25 25 ALA N N 25 128.937 128.937 125.385 3.552 19684 1819 1 6 . 1 1 25 25 ALA HA H 25 4.180 4.180 4.360 -0.180 19684 1820 1 6 . 1 1 25 25 ALA C C 25 178.154 178.154 177.837 0.317 19684 1821 1 6 . 1 1 25 25 ALA CA C 25 52.809 52.809 52.169 0.640 19684 1822 1 6 . 1 1 25 25 ALA CB C 25 20.779 20.779 18.319 2.461 19684 1823 1 6 . 1 1 25 25 ALA H H 25 8.555 8.555 8.364 0.191 19684 1824 1 6 . 1 1 26 26 GLU N N 26 119.582 119.582 124.105 -4.523 19684 1825 1 6 . 1 1 26 26 GLU HA H 26 4.268 4.268 4.066 0.202 19684 1826 1 6 . 1 1 26 26 GLU C C 26 175.916 175.916 176.624 -0.708 19684 1827 1 6 . 1 1 26 26 GLU CA C 26 56.345 56.345 58.378 -2.033 19684 1828 1 6 . 1 1 26 26 GLU CB C 26 31.091 31.091 30.012 1.079 19684 1829 1 6 . 1 1 26 26 GLU H H 26 8.613 8.613 8.761 -0.148 19684 1830 1 6 . 1 1 27 27 HIS N N 27 115.533 115.533 116.474 -0.941 19684 1831 1 6 . 1 1 27 27 HIS C C 27 175.986 175.986 174.963 1.023 19684 1832 1 6 . 1 1 27 27 HIS CA C 27 54.711 54.711 56.578 -1.867 19684 1833 1 6 . 1 1 27 27 HIS CB C 27 32.077 32.077 32.934 -0.857 19684 1834 1 6 . 1 1 27 27 HIS H H 27 7.418 7.418 7.944 -0.526 19684 1835 1 6 . 1 1 28 28 SER HA H 28 4.255 4.255 4.403 -0.148 19684 1836 1 6 . 1 1 28 28 SER C C 28 174.619 174.619 175.173 -0.554 19684 1837 1 6 . 1 1 28 28 SER CA C 28 60.985 60.985 59.632 1.353 19684 1838 1 6 . 1 1 28 28 SER CB C 28 62.890 62.890 63.675 -0.785 19684 1839 1 6 . 1 1 29 29 SER N N 29 114.287 114.287 118.701 -4.414 19684 1840 1 6 . 1 1 29 29 SER HA H 29 4.405 4.405 4.213 0.192 19684 1841 1 6 . 1 1 29 29 SER C C 29 174.305 174.305 174.368 -0.063 19684 1842 1 6 . 1 1 29 29 SER CA C 29 58.564 58.564 60.547 -1.983 19684 1843 1 6 . 1 1 29 29 SER CB C 29 62.953 62.953 63.584 -0.631 19684 1844 1 6 . 1 1 29 29 SER H H 29 8.207 8.207 8.604 -0.397 19684 1845 1 6 . 1 1 30 30 GLU N N 30 122.312 122.312 120.483 1.829 19684 1846 1 6 . 1 1 30 30 GLU HA H 30 4.690 4.690 4.486 0.204 19684 1847 1 6 . 1 1 30 30 GLU C C 30 175.373 175.373 176.092 -0.719 19684 1848 1 6 . 1 1 30 30 GLU CA C 30 54.894 54.894 56.505 -1.611 19684 1849 1 6 . 1 1 30 30 GLU CB C 30 31.495 31.495 30.122 1.373 19684 1850 1 6 . 1 1 30 30 GLU H H 30 7.798 7.798 7.711 0.087 19684 1851 1 6 . 1 1 31 31 LEU N N 31 118.829 118.829 125.792 -6.963 19684 1852 1 6 . 1 1 31 31 LEU HA H 31 4.686 4.686 4.600 0.086 19684 1853 1 6 . 1 1 31 31 LEU C C 31 177.013 177.013 176.890 0.123 19684 1854 1 6 . 1 1 31 31 LEU CA C 31 54.627 54.627 54.458 0.169 19684 1855 1 6 . 1 1 31 31 LEU CB C 31 43.640 43.640 42.600 1.040 19684 1856 1 6 . 1 1 31 31 LEU H H 31 8.084 8.084 8.496 -0.412 19684 1857 1 6 . 1 1 32 32 SER N N 32 115.422 115.422 118.829 -3.407 19684 1858 1 6 . 1 1 32 32 SER HA H 32 4.863 4.863 4.674 0.189 19684 1859 1 6 . 1 1 32 32 SER C C 32 173.966 173.966 174.232 -0.266 19684 1860 1 6 . 1 1 32 32 SER CA C 32 57.745 57.745 57.963 -0.218 19684 1861 1 6 . 1 1 32 32 SER CB C 32 64.735 64.735 64.488 0.247 19684 1862 1 6 . 1 1 32 32 SER H H 32 8.054 8.054 8.473 -0.419 19684 1863 1 6 . 1 1 33 33 PHE N N 33 116.920 116.920 120.384 -3.464 19684 1864 1 6 . 1 1 33 33 PHE HA H 33 4.889 4.889 4.969 -0.080 19684 1865 1 6 . 1 1 33 33 PHE C C 33 173.660 173.660 173.345 0.315 19684 1866 1 6 . 1 1 33 33 PHE CA C 33 56.261 56.261 57.000 -0.739 19684 1867 1 6 . 1 1 33 33 PHE CB C 33 39.272 39.272 40.505 -1.233 19684 1868 1 6 . 1 1 33 33 PHE H H 33 8.697 8.697 8.650 0.047 19684 1869 1 6 . 1 1 34 34 GLU N N 34 119.852 119.852 118.612 1.240 19684 1870 1 6 . 1 1 34 34 GLU HA H 34 4.622 4.622 4.877 -0.255 19684 1871 1 6 . 1 1 34 34 GLU C C 34 176.044 176.044 175.662 0.382 19684 1872 1 6 . 1 1 34 34 GLU CA C 34 53.759 53.759 54.297 -0.539 19684 1873 1 6 . 1 1 34 34 GLU CB C 34 31.878 31.878 33.715 -1.837 19684 1874 1 6 . 1 1 34 34 GLU H H 34 8.616 8.616 8.700 -0.084 19684 1875 1 6 . 1 1 35 35 ILE N N 35 118.386 118.386 120.800 -2.414 19684 1876 1 6 . 1 1 35 35 ILE HA H 35 3.173 3.173 3.981 -0.808 19684 1877 1 6 . 1 1 35 35 ILE C C 35 177.205 177.205 177.593 -0.388 19684 1878 1 6 . 1 1 35 35 ILE CA C 35 64.926 64.926 63.237 1.689 19684 1879 1 6 . 1 1 35 35 ILE CB C 35 38.013 38.013 36.950 1.063 19684 1880 1 6 . 1 1 35 35 ILE H H 35 8.428 8.428 8.659 -0.231 19684 1881 1 6 . 1 1 36 36 GLY N N 36 114.528 114.528 115.952 -1.424 19684 1882 1 6 . 1 1 36 36 GLY C C 36 173.669 173.669 173.870 -0.201 19684 1883 1 6 . 1 1 36 36 GLY CA C 36 44.601 44.601 44.683 -0.082 19684 1884 1 6 . 1 1 36 36 GLY H H 36 8.568 8.568 8.930 -0.362 19684 1885 1 6 . 1 1 37 37 ALA N N 37 123.910 123.910 125.346 -1.436 19684 1886 1 6 . 1 1 37 37 ALA HA H 37 3.975 3.975 4.210 -0.235 19684 1887 1 6 . 1 1 37 37 ALA C C 37 175.106 175.106 176.462 -1.356 19684 1888 1 6 . 1 1 37 37 ALA CA C 37 53.061 53.061 51.944 1.117 19684 1889 1 6 . 1 1 37 37 ALA CB C 37 19.337 19.337 18.803 0.534 19684 1890 1 6 . 1 1 37 37 ALA H H 37 7.564 7.564 7.646 -0.082 19684 1891 1 6 . 1 1 38 38 ILE N N 38 120.298 120.298 124.206 -3.908 19684 1892 1 6 . 1 1 38 38 ILE HA H 38 4.867 4.867 4.531 0.336 19684 1893 1 6 . 1 1 38 38 ILE C C 38 174.910 174.910 175.087 -0.177 19684 1894 1 6 . 1 1 38 38 ILE CA C 38 58.050 58.050 59.245 -1.195 19684 1895 1 6 . 1 1 38 38 ILE CB C 38 38.080 38.080 37.675 0.405 19684 1896 1 6 . 1 1 38 38 ILE H H 38 7.843 7.843 7.936 -0.093 19684 1897 1 6 . 1 1 39 39 PHE N N 39 124.481 124.481 126.554 -2.073 19684 1898 1 6 . 1 1 39 39 PHE HA H 39 4.889 4.889 5.235 -0.346 19684 1899 1 6 . 1 1 39 39 PHE C C 39 175.106 175.106 175.229 -0.123 19684 1900 1 6 . 1 1 39 39 PHE CA C 39 55.542 55.542 55.975 -0.433 19684 1901 1 6 . 1 1 39 39 PHE CB C 39 42.173 42.173 41.620 0.553 19684 1902 1 6 . 1 1 39 39 PHE H H 39 8.884 8.884 8.639 0.245 19684 1903 1 6 . 1 1 40 40 GLU N N 40 117.747 117.747 121.678 -3.931 19684 1904 1 6 . 1 1 40 40 GLU HA H 40 4.788 4.788 4.593 0.195 19684 1905 1 6 . 1 1 40 40 GLU C C 40 175.797 175.797 176.834 -1.037 19684 1906 1 6 . 1 1 40 40 GLU CA C 40 53.945 53.945 55.099 -1.154 19684 1907 1 6 . 1 1 40 40 GLU CB C 40 32.928 32.928 31.352 1.577 19684 1908 1 6 . 1 1 40 40 GLU H H 40 9.047 9.047 8.730 0.317 19684 1909 1 6 . 1 1 41 41 ASP N N 41 120.461 120.461 120.726 -0.265 19684 1910 1 6 . 1 1 41 41 ASP HA H 41 4.331 4.331 4.217 0.114 19684 1911 1 6 . 1 1 41 41 ASP C C 41 175.720 175.720 175.633 0.087 19684 1912 1 6 . 1 1 41 41 ASP CA C 41 54.842 54.842 55.237 -0.395 19684 1913 1 6 . 1 1 41 41 ASP CB C 41 39.241 39.241 40.152 -0.911 19684 1914 1 6 . 1 1 41 41 ASP H H 41 8.875 8.875 8.553 0.322 19684 1915 1 6 . 1 1 42 42 VAL N N 42 120.471 120.471 119.973 0.498 19684 1916 1 6 . 1 1 42 42 VAL HA H 42 4.788 4.788 4.025 0.763 19684 1917 1 6 . 1 1 42 42 VAL C C 42 176.652 176.652 175.548 1.104 19684 1918 1 6 . 1 1 42 42 VAL CA C 42 62.583 62.583 63.633 -1.050 19684 1919 1 6 . 1 1 42 42 VAL CB C 42 31.408 31.408 31.464 -0.056 19684 1920 1 6 . 1 1 42 42 VAL H H 42 8.932 8.932 7.889 1.043 19684 1921 1 6 . 1 1 43 43 GLN N N 43 124.450 124.450 127.632 -3.182 19684 1922 1 6 . 1 1 43 43 GLN HA H 43 4.859 4.859 4.683 0.176 19684 1923 1 6 . 1 1 43 43 GLN C C 43 174.928 174.928 174.962 -0.034 19684 1924 1 6 . 1 1 43 43 GLN CA C 43 53.436 53.436 53.669 -0.233 19684 1925 1 6 . 1 1 43 43 GLN CB C 43 33.482 33.482 32.615 0.867 19684 1926 1 6 . 1 1 43 43 GLN H H 43 9.057 9.057 8.880 0.177 19684 1927 1 6 . 1 1 44 44 THR N N 44 116.345 116.345 116.985 -0.640 19684 1928 1 6 . 1 1 44 44 THR HA H 44 4.149 4.149 4.393 -0.244 19684 1929 1 6 . 1 1 44 44 THR C C 44 174.138 174.138 174.304 -0.166 19684 1930 1 6 . 1 1 44 44 THR CA C 44 64.288 64.288 63.005 1.283 19684 1931 1 6 . 1 1 44 44 THR CB C 44 69.164 69.164 69.175 -0.011 19684 1932 1 6 . 1 1 44 44 THR H H 44 8.640 8.640 8.461 0.179 19684 1933 1 6 . 1 1 45 45 SER N N 45 119.635 119.635 120.466 -0.831 19684 1934 1 6 . 1 1 45 45 SER HA H 45 4.670 4.670 4.601 0.069 19684 1935 1 6 . 1 1 45 45 SER C C 45 174.304 174.304 175.558 -1.254 19684 1936 1 6 . 1 1 45 45 SER CA C 45 57.064 57.064 56.539 0.525 19684 1937 1 6 . 1 1 45 45 SER CB C 45 65.275 65.275 64.549 0.726 19684 1938 1 6 . 1 1 45 45 SER H H 45 7.971 7.971 8.239 -0.268 19684 1939 1 6 . 1 1 46 46 ARG N N 46 120.482 120.482 120.783 -0.301 19684 1940 1 6 . 1 1 46 46 ARG HA H 46 4.170 4.170 4.353 -0.183 19684 1941 1 6 . 1 1 46 46 ARG C C 46 176.486 176.486 176.704 -0.218 19684 1942 1 6 . 1 1 46 46 ARG CA C 46 57.675 57.675 57.164 0.511 19684 1943 1 6 . 1 1 46 46 ARG CB C 46 30.019 30.019 30.289 -0.270 19684 1944 1 6 . 1 1 46 46 ARG H H 46 8.491 8.491 8.704 -0.213 19684 1945 1 6 . 1 1 47 47 GLU N N 47 121.489 121.489 123.015 -1.526 19684 1946 1 6 . 1 1 47 47 GLU HA H 47 4.820 4.820 4.515 0.305 19684 1947 1 6 . 1 1 47 47 GLU C C 47 173.926 173.926 174.668 -0.742 19684 1948 1 6 . 1 1 47 47 GLU CA C 47 52.716 52.716 54.295 -1.579 19684 1949 1 6 . 1 1 47 47 GLU CB C 47 30.039 30.039 28.882 1.157 19684 1950 1 6 . 1 1 47 47 GLU H H 47 8.530 8.530 7.713 0.817 19684 1951 1 6 . 1 1 48 48 PRO HA H 48 4.363 4.363 4.374 -0.011 19684 1952 1 6 . 1 1 48 48 PRO C C 48 177.954 177.954 177.277 0.677 19684 1953 1 6 . 1 1 48 48 PRO CA C 48 63.672 63.672 64.008 -0.336 19684 1954 1 6 . 1 1 48 48 PRO CB C 48 31.798 31.798 31.991 -0.193 19684 1955 1 6 . 1 1 49 49 GLY N N 49 110.220 110.220 110.395 -0.175 19684 1956 1 6 . 1 1 49 49 GLY C C 49 174.196 174.196 173.872 0.324 19684 1957 1 6 . 1 1 49 49 GLY CA C 49 44.965 44.965 44.873 0.091 19684 1958 1 6 . 1 1 49 49 GLY H H 49 8.660 8.660 8.611 0.049 19684 1959 1 6 . 1 1 50 50 TRP N N 50 120.527 120.527 121.278 -0.751 19684 1960 1 6 . 1 1 50 50 TRP HA H 50 5.098 5.098 5.508 -0.410 19684 1961 1 6 . 1 1 50 50 TRP C C 50 175.686 175.686 175.668 0.018 19684 1962 1 6 . 1 1 50 50 TRP CA C 50 56.460 56.460 56.497 -0.037 19684 1963 1 6 . 1 1 50 50 TRP CB C 50 31.745 31.745 31.011 0.734 19684 1964 1 6 . 1 1 50 50 TRP H H 50 8.025 8.025 7.648 0.377 19684 1965 1 6 . 1 1 51 51 LEU N N 51 123.575 123.575 121.049 2.526 19684 1966 1 6 . 1 1 51 51 LEU HA H 51 4.966 4.966 5.027 -0.061 19684 1967 1 6 . 1 1 51 51 LEU C C 51 175.162 175.162 175.855 -0.693 19684 1968 1 6 . 1 1 51 51 LEU CA C 51 52.643 52.643 53.334 -0.691 19684 1969 1 6 . 1 1 51 51 LEU CB C 51 44.214 44.214 45.480 -1.266 19684 1970 1 6 . 1 1 51 51 LEU H H 51 9.635 9.635 9.120 0.515 19684 1971 1 6 . 1 1 52 52 GLU N N 52 119.825 119.825 120.198 -0.373 19684 1972 1 6 . 1 1 52 52 GLU HA H 52 5.180 5.180 5.465 -0.285 19684 1973 1 6 . 1 1 52 52 GLU C C 52 175.082 175.082 176.209 -1.127 19684 1974 1 6 . 1 1 52 52 GLU CA C 52 54.693 54.693 54.919 -0.225 19684 1975 1 6 . 1 1 52 52 GLU CB C 52 32.735 32.735 32.230 0.505 19684 1976 1 6 . 1 1 52 52 GLU H H 52 9.144 9.144 8.656 0.488 19684 1977 1 6 . 1 1 53 53 GLY N N 53 106.528 106.528 111.747 -5.219 19684 1978 1 6 . 1 1 53 53 GLY C C 53 170.278 170.278 172.989 -2.711 19684 1979 1 6 . 1 1 53 53 GLY CA C 53 45.500 45.500 44.486 1.014 19684 1980 1 6 . 1 1 53 53 GLY H H 53 8.500 8.500 8.221 0.279 19684 1981 1 6 . 1 1 54 54 THR N N 54 115.540 115.540 117.904 -2.364 19684 1982 1 6 . 1 1 54 54 THR HA H 54 5.334 5.334 4.942 0.392 19684 1983 1 6 . 1 1 54 54 THR C C 54 173.549 173.549 173.295 0.254 19684 1984 1 6 . 1 1 54 54 THR CA C 54 61.186 61.186 62.310 -1.124 19684 1985 1 6 . 1 1 54 54 THR CB C 54 69.935 69.935 70.265 -0.330 19684 1986 1 6 . 1 1 54 54 THR H H 54 9.085 9.085 8.746 0.339 19684 1987 1 6 . 1 1 55 55 LEU N N 55 128.613 128.613 130.162 -1.549 19684 1988 1 6 . 1 1 55 55 LEU HA H 55 4.842 4.842 4.731 0.111 19684 1989 1 6 . 1 1 55 55 LEU C C 55 176.045 176.045 176.362 -0.317 19684 1990 1 6 . 1 1 55 55 LEU CA C 55 53.387 53.387 53.229 0.158 19684 1991 1 6 . 1 1 55 55 LEU CB C 55 45.579 45.579 43.323 2.256 19684 1992 1 6 . 1 1 55 55 LEU H H 55 9.368 9.368 8.543 0.825 19684 1993 1 6 . 1 1 56 56 ASN N N 56 128.674 128.674 123.951 4.723 19684 1994 1 6 . 1 1 56 56 ASN HA H 56 4.403 4.403 4.361 0.042 19684 1995 1 6 . 1 1 56 56 ASN C C 56 175.457 175.457 175.679 -0.222 19684 1996 1 6 . 1 1 56 56 ASN CA C 56 54.126 54.126 55.297 -1.171 19684 1997 1 6 . 1 1 56 56 ASN CB C 56 37.291 37.291 37.718 -0.427 19684 1998 1 6 . 1 1 56 56 ASN H H 56 9.670 9.670 9.159 0.511 19684 1999 1 6 . 1 1 57 57 GLY N N 57 102.683 102.683 108.102 -5.419 19684 2000 1 6 . 1 1 57 57 GLY C C 57 173.175 173.175 172.481 0.694 19684 2001 1 6 . 1 1 57 57 GLY CA C 57 45.263 45.263 45.253 0.010 19684 2002 1 6 . 1 1 57 57 GLY H H 57 8.441 8.441 8.379 0.062 19684 2003 1 6 . 1 1 58 58 LYS N N 58 122.749 122.749 121.822 0.927 19684 2004 1 6 . 1 1 58 58 LYS HA H 58 4.621 4.621 4.621 -0.000 19684 2005 1 6 . 1 1 58 58 LYS C C 58 173.237 173.237 174.948 -1.711 19684 2006 1 6 . 1 1 58 58 LYS CA C 58 54.962 54.962 55.150 -0.188 19684 2007 1 6 . 1 1 58 58 LYS CB C 58 34.303 34.303 35.035 -0.732 19684 2008 1 6 . 1 1 58 58 LYS H H 58 7.847 7.847 7.641 0.206 19684 2009 1 6 . 1 1 59 59 ARG N N 59 127.435 127.435 128.651 -1.216 19684 2010 1 6 . 1 1 59 59 ARG HA H 59 5.417 5.417 5.384 0.033 19684 2011 1 6 . 1 1 59 59 ARG C C 59 176.486 176.486 175.564 0.922 19684 2012 1 6 . 1 1 59 59 ARG CA C 59 54.079 54.079 55.443 -1.364 19684 2013 1 6 . 1 1 59 59 ARG CB C 59 31.815 31.815 32.022 -0.207 19684 2014 1 6 . 1 1 59 59 ARG H H 59 8.741 8.741 8.766 -0.025 19684 2015 1 6 . 1 1 60 60 GLY N N 60 112.447 112.447 111.714 0.733 19684 2016 1 6 . 1 1 60 60 GLY C C 60 170.709 170.709 172.363 -1.654 19684 2017 1 6 . 1 1 60 60 GLY CA C 60 45.648 45.648 44.952 0.696 19684 2018 1 6 . 1 1 60 60 GLY H H 60 8.745 8.745 8.140 0.605 19684 2019 1 6 . 1 1 61 61 LEU N N 61 117.631 117.631 121.541 -3.910 19684 2020 1 6 . 1 1 61 61 LEU HA H 61 5.330 5.330 4.792 0.538 19684 2021 1 6 . 1 1 61 61 LEU C C 61 178.461 178.461 176.553 1.908 19684 2022 1 6 . 1 1 61 61 LEU CA C 61 54.784 54.784 55.485 -0.701 19684 2023 1 6 . 1 1 61 61 LEU CB C 61 44.075 44.075 42.686 1.389 19684 2024 1 6 . 1 1 61 61 LEU H H 61 8.527 8.527 8.012 0.515 19684 2025 1 6 . 1 1 62 62 ILE N N 62 121.463 121.463 123.685 -2.222 19684 2026 1 6 . 1 1 62 62 ILE HA H 62 4.899 4.899 4.821 0.078 19684 2027 1 6 . 1 1 62 62 ILE C C 62 172.776 172.776 173.761 -0.985 19684 2028 1 6 . 1 1 62 62 ILE CA C 62 58.089 58.089 58.000 0.089 19684 2029 1 6 . 1 1 62 62 ILE CB C 62 43.821 43.821 41.001 2.820 19684 2030 1 6 . 1 1 62 62 ILE H H 62 9.387 9.387 9.350 0.037 19684 2031 1 6 . 1 1 63 63 PRO HA H 63 3.610 3.610 3.760 -0.150 19684 2032 1 6 . 1 1 63 63 PRO C C 63 179.007 179.007 177.320 1.687 19684 2033 1 6 . 1 1 63 63 PRO CA C 63 62.475 62.475 62.476 -0.001 19684 2034 1 6 . 1 1 63 63 PRO CB C 63 30.637 30.637 30.695 -0.058 19684 2035 1 6 . 1 1 64 64 GLN N N 64 124.254 124.254 126.849 -2.595 19684 2036 1 6 . 1 1 64 64 GLN HA H 64 3.624 3.624 3.828 -0.204 19684 2037 1 6 . 1 1 64 64 GLN C C 64 176.210 176.210 177.704 -1.494 19684 2038 1 6 . 1 1 64 64 GLN CA C 64 58.984 58.984 59.267 -0.283 19684 2039 1 6 . 1 1 64 64 GLN CB C 64 28.212 28.212 28.419 -0.207 19684 2040 1 6 . 1 1 64 64 GLN H H 64 8.045 8.045 8.290 -0.245 19684 2041 1 6 . 1 1 65 65 ASN N N 65 111.289 111.289 116.574 -5.285 19684 2042 1 6 . 1 1 65 65 ASN HA H 65 4.722 4.722 4.608 0.114 19684 2043 1 6 . 1 1 65 65 ASN C C 65 175.720 175.720 176.922 -1.202 19684 2044 1 6 . 1 1 65 65 ASN CA C 65 53.734 53.734 55.700 -1.966 19684 2045 1 6 . 1 1 65 65 ASN CB C 65 36.735 36.735 38.532 -1.797 19684 2046 1 6 . 1 1 65 65 ASN H H 65 8.543 8.543 8.431 0.112 19684 2047 1 6 . 1 1 66 66 TYR N N 66 118.333 118.333 115.986 2.347 19684 2048 1 6 . 1 1 66 66 TYR HA H 66 4.906 4.906 4.878 0.028 19684 2049 1 6 . 1 1 66 66 TYR C C 66 175.641 175.641 175.000 0.641 19684 2050 1 6 . 1 1 66 66 TYR CA C 66 57.121 57.121 57.112 0.009 19684 2051 1 6 . 1 1 66 66 TYR CB C 66 37.682 37.682 38.832 -1.150 19684 2052 1 6 . 1 1 66 66 TYR H H 66 7.919 7.919 7.872 0.047 19684 2053 1 6 . 1 1 67 67 VAL N N 67 108.796 108.796 111.918 -3.122 19684 2054 1 6 . 1 1 67 67 VAL HA H 67 5.441 5.441 4.758 0.683 19684 2055 1 6 . 1 1 67 67 VAL C C 67 173.714 173.714 174.870 -1.156 19684 2056 1 6 . 1 1 67 67 VAL CA C 67 57.990 57.990 58.892 -0.902 19684 2057 1 6 . 1 1 67 67 VAL CB C 67 35.467 35.467 35.096 0.371 19684 2058 1 6 . 1 1 67 67 VAL H H 67 7.341 7.341 7.304 0.037 19684 2059 1 6 . 1 1 68 68 LYS N N 68 120.974 120.974 123.664 -2.690 19684 2060 1 6 . 1 1 68 68 LYS HA H 68 4.692 4.692 4.598 0.094 19684 2061 1 6 . 1 1 68 68 LYS C C 68 175.962 175.962 175.844 0.118 19684 2062 1 6 . 1 1 68 68 LYS CA C 68 54.108 54.108 54.300 -0.192 19684 2063 1 6 . 1 1 68 68 LYS CB C 68 35.051 35.051 34.487 0.564 19684 2064 1 6 . 1 1 68 68 LYS H H 68 8.907 8.907 8.367 0.540 19684 2065 1 6 . 1 1 69 69 LEU N N 69 126.343 126.343 128.199 -1.856 19684 2066 1 6 . 1 1 69 69 LEU HA H 69 4.392 4.392 4.308 0.084 19684 2067 1 6 . 1 1 69 69 LEU C C 69 176.293 176.293 176.971 -0.678 19684 2068 1 6 . 1 1 69 69 LEU CA C 69 55.627 55.627 55.476 0.151 19684 2069 1 6 . 1 1 69 69 LEU CB C 69 41.278 41.278 41.366 -0.088 19684 2070 1 6 . 1 1 69 69 LEU H H 69 8.791 8.791 8.654 0.137 19684 2071 1 7 . 1 1 2 2 GLY N N 2 113.935 113.935 109.671 4.264 19684 2072 1 7 . 1 1 2 2 GLY CA C 2 43.362 43.362 45.199 -1.837 19684 2073 1 7 . 1 1 2 2 GLY H H 2 8.251 8.251 8.166 0.085 19684 2074 1 7 . 1 1 9 9 SER HA H 9 4.375 4.375 4.540 -0.165 19684 2075 1 7 . 1 1 9 9 SER CA C 9 58.422 58.422 58.398 0.024 19684 2076 1 7 . 1 1 9 9 SER CB C 9 63.552 63.552 63.622 -0.070 19684 2077 1 7 . 1 1 10 10 HIS HA H 10 4.622 4.622 4.906 -0.284 19684 2078 1 7 . 1 1 10 10 HIS C C 10 174.853 174.853 174.485 0.368 19684 2079 1 7 . 1 1 10 10 HIS CA C 10 55.967 55.967 55.027 0.940 19684 2080 1 7 . 1 1 10 10 HIS CB C 10 30.242 30.242 29.119 1.123 19684 2081 1 7 . 1 1 11 11 MET N N 11 121.242 121.242 120.369 0.873 19684 2082 1 7 . 1 1 11 11 MET HA H 11 4.432 4.432 4.582 -0.150 19684 2083 1 7 . 1 1 11 11 MET C C 11 175.804 175.804 174.830 0.974 19684 2084 1 7 . 1 1 11 11 MET CA C 11 55.487 55.487 54.501 0.986 19684 2085 1 7 . 1 1 11 11 MET CB C 11 32.712 32.712 35.158 -2.446 19684 2086 1 7 . 1 1 11 11 MET H H 11 8.210 8.210 7.286 0.924 19684 2087 1 7 . 1 1 12 12 ILE N N 12 122.708 122.708 121.854 0.854 19684 2088 1 7 . 1 1 12 12 ILE HA H 12 4.173 4.173 4.592 -0.419 19684 2089 1 7 . 1 1 12 12 ILE C C 12 175.916 175.916 174.714 1.202 19684 2090 1 7 . 1 1 12 12 ILE CA C 12 60.878 60.878 60.312 0.566 19684 2091 1 7 . 1 1 12 12 ILE CB C 12 38.534 38.534 37.560 0.974 19684 2092 1 7 . 1 1 12 12 ILE H H 12 8.236 8.236 8.303 -0.067 19684 2093 1 7 . 1 1 13 13 ARG N N 13 125.079 125.079 128.559 -3.480 19684 2094 1 7 . 1 1 13 13 ARG HA H 13 4.472 4.472 4.301 0.171 19684 2095 1 7 . 1 1 13 13 ARG C C 13 175.573 175.573 177.075 -1.502 19684 2096 1 7 . 1 1 13 13 ARG CA C 13 55.645 55.645 56.524 -0.879 19684 2097 1 7 . 1 1 13 13 ARG CB C 13 31.256 31.256 32.005 -0.749 19684 2098 1 7 . 1 1 13 13 ARG H H 13 8.386 8.386 8.235 0.151 19684 2099 1 7 . 1 1 14 14 SER N N 14 117.250 117.250 116.252 0.998 19684 2100 1 7 . 1 1 14 14 SER HA H 14 4.441 4.441 4.351 0.090 19684 2101 1 7 . 1 1 14 14 SER C C 14 174.090 174.090 174.130 -0.040 19684 2102 1 7 . 1 1 14 14 SER CA C 14 58.062 58.062 58.710 -0.648 19684 2103 1 7 . 1 1 14 14 SER CB C 14 63.638 63.638 62.821 0.817 19684 2104 1 7 . 1 1 14 14 SER H H 14 8.386 8.386 8.706 -0.320 19684 2105 1 7 . 1 1 15 15 ARG N N 15 123.266 123.266 121.825 1.441 19684 2106 1 7 . 1 1 15 15 ARG HA H 15 4.651 4.651 4.298 0.353 19684 2107 1 7 . 1 1 15 15 ARG C C 15 174.913 174.913 175.521 -0.608 19684 2108 1 7 . 1 1 15 15 ARG CA C 15 54.960 54.960 55.224 -0.264 19684 2109 1 7 . 1 1 15 15 ARG CB C 15 31.574 31.574 29.110 2.465 19684 2110 1 7 . 1 1 15 15 ARG H H 15 8.721 8.721 8.123 0.598 19684 2111 1 7 . 1 1 16 16 LYS N N 16 120.105 120.105 123.713 -3.608 19684 2112 1 7 . 1 1 16 16 LYS HA H 16 5.315 5.315 5.080 0.235 19684 2113 1 7 . 1 1 16 16 LYS C C 16 175.755 175.755 175.690 0.065 19684 2114 1 7 . 1 1 16 16 LYS CA C 16 54.926 54.926 54.992 -0.066 19684 2115 1 7 . 1 1 16 16 LYS CB C 16 36.741 36.741 36.378 0.363 19684 2116 1 7 . 1 1 16 16 LYS H H 16 8.406 8.406 8.299 0.107 19684 2117 1 7 . 1 1 17 17 ALA N N 17 118.564 118.564 121.519 -2.955 19684 2118 1 7 . 1 1 17 17 ALA HA H 17 5.256 5.256 5.054 0.202 19684 2119 1 7 . 1 1 17 17 ALA C C 17 173.884 173.884 175.458 -1.574 19684 2120 1 7 . 1 1 17 17 ALA CA C 17 50.673 50.673 50.508 0.165 19684 2121 1 7 . 1 1 17 17 ALA CB C 17 23.580 23.580 23.326 0.254 19684 2122 1 7 . 1 1 17 17 ALA H H 17 8.310 8.310 8.486 -0.176 19684 2123 1 7 . 1 1 18 18 ARG N N 18 119.872 119.872 120.042 -0.170 19684 2124 1 7 . 1 1 18 18 ARG HA H 18 5.755 5.755 4.981 0.774 19684 2125 1 7 . 1 1 18 18 ARG C C 18 176.196 176.196 174.760 1.436 19684 2126 1 7 . 1 1 18 18 ARG CA C 18 53.023 53.023 55.005 -1.982 19684 2127 1 7 . 1 1 18 18 ARG CB C 18 34.603 34.603 34.421 0.182 19684 2128 1 7 . 1 1 18 18 ARG H H 18 9.008 9.008 8.628 0.380 19684 2129 1 7 . 1 1 19 19 ALA N N 19 127.577 127.577 130.713 -3.136 19684 2130 1 7 . 1 1 19 19 ALA HA H 19 4.828 4.828 4.768 0.060 19684 2131 1 7 . 1 1 19 19 ALA C C 19 178.887 178.887 177.797 1.090 19684 2132 1 7 . 1 1 19 19 ALA CA C 19 53.215 53.215 52.362 0.853 19684 2133 1 7 . 1 1 19 19 ALA CB C 19 21.164 21.164 19.297 1.867 19684 2134 1 7 . 1 1 19 19 ALA H H 19 9.456 9.456 8.703 0.753 19684 2135 1 7 . 1 1 20 20 VAL N N 20 120.989 120.989 121.859 -0.870 19684 2136 1 7 . 1 1 20 20 VAL HA H 20 4.233 4.233 4.203 0.030 19684 2137 1 7 . 1 1 20 20 VAL C C 20 173.478 173.478 175.167 -1.689 19684 2138 1 7 . 1 1 20 20 VAL CA C 20 61.659 61.659 63.036 -1.377 19684 2139 1 7 . 1 1 20 20 VAL CB C 20 32.406 32.406 32.176 0.230 19684 2140 1 7 . 1 1 20 20 VAL H H 20 9.261 9.261 8.412 0.849 19684 2141 1 7 . 1 1 21 21 TYR N N 21 120.793 120.793 120.127 0.666 19684 2142 1 7 . 1 1 21 21 TYR HA H 21 4.917 4.917 4.907 0.010 19684 2143 1 7 . 1 1 21 21 TYR C C 21 171.768 171.768 173.763 -1.995 19684 2144 1 7 . 1 1 21 21 TYR CA C 21 54.783 54.783 55.323 -0.540 19684 2145 1 7 . 1 1 21 21 TYR CB C 21 41.028 41.028 39.566 1.462 19684 2146 1 7 . 1 1 21 21 TYR H H 21 7.740 7.740 7.984 -0.244 19684 2147 1 7 . 1 1 22 22 PRO HA H 22 4.569 4.569 4.720 -0.151 19684 2148 1 7 . 1 1 22 22 PRO C C 22 175.447 175.447 175.226 0.221 19684 2149 1 7 . 1 1 22 22 PRO CA C 22 61.784 61.784 61.944 -0.160 19684 2150 1 7 . 1 1 22 22 PRO CB C 22 32.301 32.301 33.276 -0.975 19684 2151 1 7 . 1 1 23 23 CYS N N 23 117.584 117.584 119.531 -1.947 19684 2152 1 7 . 1 1 23 23 CYS HA H 23 4.369 4.369 4.690 -0.321 19684 2153 1 7 . 1 1 23 23 CYS C C 23 173.409 173.409 172.884 0.525 19684 2154 1 7 . 1 1 23 23 CYS CA C 23 58.325 58.325 56.943 1.383 19684 2155 1 7 . 1 1 23 23 CYS CB C 23 30.008 30.008 30.236 -0.228 19684 2156 1 7 . 1 1 23 23 CYS H H 23 8.265 8.265 8.629 -0.364 19684 2157 1 7 . 1 1 24 24 GLU N N 24 131.184 131.184 126.226 4.958 19684 2158 1 7 . 1 1 24 24 GLU HA H 24 4.539 4.539 4.540 -0.001 19684 2159 1 7 . 1 1 24 24 GLU C C 24 174.814 174.814 174.557 0.257 19684 2160 1 7 . 1 1 24 24 GLU CA C 24 54.416 54.416 54.557 -0.141 19684 2161 1 7 . 1 1 24 24 GLU CB C 24 30.172 30.172 32.086 -1.914 19684 2162 1 7 . 1 1 24 24 GLU H H 24 8.594 8.594 8.523 0.071 19684 2163 1 7 . 1 1 25 25 ALA N N 25 128.937 128.937 126.561 2.376 19684 2164 1 7 . 1 1 25 25 ALA HA H 25 4.180 4.180 4.675 -0.495 19684 2165 1 7 . 1 1 25 25 ALA C C 25 178.154 178.154 177.842 0.312 19684 2166 1 7 . 1 1 25 25 ALA CA C 25 52.809 52.809 51.346 1.463 19684 2167 1 7 . 1 1 25 25 ALA CB C 25 20.779 20.779 19.483 1.296 19684 2168 1 7 . 1 1 25 25 ALA H H 25 8.555 8.555 8.547 0.008 19684 2169 1 7 . 1 1 26 26 GLU N N 26 119.582 119.582 123.140 -3.558 19684 2170 1 7 . 1 1 26 26 GLU HA H 26 4.268 4.268 4.266 0.002 19684 2171 1 7 . 1 1 26 26 GLU C C 26 175.916 175.916 176.758 -0.842 19684 2172 1 7 . 1 1 26 26 GLU CA C 26 56.345 56.345 57.199 -0.854 19684 2173 1 7 . 1 1 26 26 GLU CB C 26 31.091 31.091 30.594 0.497 19684 2174 1 7 . 1 1 26 26 GLU H H 26 8.613 8.613 8.800 -0.187 19684 2175 1 7 . 1 1 27 27 HIS N N 27 115.533 115.533 119.387 -3.854 19684 2176 1 7 . 1 1 27 27 HIS C C 27 175.986 175.986 175.802 0.184 19684 2177 1 7 . 1 1 27 27 HIS CA C 27 54.711 54.711 54.762 -0.051 19684 2178 1 7 . 1 1 27 27 HIS CB C 27 32.077 32.077 32.786 -0.709 19684 2179 1 7 . 1 1 27 27 HIS H H 27 7.418 7.418 8.056 -0.638 19684 2180 1 7 . 1 1 28 28 SER HA H 28 4.255 4.255 4.129 0.126 19684 2181 1 7 . 1 1 28 28 SER C C 28 174.619 174.619 175.570 -0.951 19684 2182 1 7 . 1 1 28 28 SER CA C 28 60.985 60.985 61.612 -0.627 19684 2183 1 7 . 1 1 28 28 SER CB C 28 62.890 62.890 63.353 -0.464 19684 2184 1 7 . 1 1 29 29 SER N N 29 114.287 114.287 116.152 -1.865 19684 2185 1 7 . 1 1 29 29 SER HA H 29 4.405 4.405 4.273 0.132 19684 2186 1 7 . 1 1 29 29 SER C C 29 174.305 174.305 175.221 -0.916 19684 2187 1 7 . 1 1 29 29 SER CA C 29 58.564 58.564 60.554 -1.990 19684 2188 1 7 . 1 1 29 29 SER CB C 29 62.953 62.953 63.597 -0.644 19684 2189 1 7 . 1 1 29 29 SER H H 29 8.207 8.207 8.259 -0.052 19684 2190 1 7 . 1 1 30 30 GLU N N 30 122.312 122.312 121.068 1.244 19684 2191 1 7 . 1 1 30 30 GLU HA H 30 4.690 4.690 4.517 0.173 19684 2192 1 7 . 1 1 30 30 GLU C C 30 175.373 175.373 176.303 -0.930 19684 2193 1 7 . 1 1 30 30 GLU CA C 30 54.894 54.894 56.616 -1.722 19684 2194 1 7 . 1 1 30 30 GLU CB C 30 31.495 31.495 30.567 0.928 19684 2195 1 7 . 1 1 30 30 GLU H H 30 7.798 7.798 7.670 0.128 19684 2196 1 7 . 1 1 31 31 LEU N N 31 118.829 118.829 123.937 -5.108 19684 2197 1 7 . 1 1 31 31 LEU HA H 31 4.686 4.686 4.844 -0.158 19684 2198 1 7 . 1 1 31 31 LEU C C 31 177.013 177.013 176.289 0.724 19684 2199 1 7 . 1 1 31 31 LEU CA C 31 54.627 54.627 54.242 0.385 19684 2200 1 7 . 1 1 31 31 LEU CB C 31 43.640 43.640 44.161 -0.521 19684 2201 1 7 . 1 1 31 31 LEU H H 31 8.084 8.084 8.929 -0.845 19684 2202 1 7 . 1 1 32 32 SER N N 32 115.422 115.422 117.488 -2.066 19684 2203 1 7 . 1 1 32 32 SER HA H 32 4.863 4.863 4.967 -0.104 19684 2204 1 7 . 1 1 32 32 SER C C 32 173.966 173.966 174.058 -0.092 19684 2205 1 7 . 1 1 32 32 SER CA C 32 57.745 57.745 57.230 0.515 19684 2206 1 7 . 1 1 32 32 SER CB C 32 64.735 64.735 64.195 0.540 19684 2207 1 7 . 1 1 32 32 SER H H 32 8.054 8.054 8.596 -0.542 19684 2208 1 7 . 1 1 33 33 PHE N N 33 116.920 116.920 120.049 -3.129 19684 2209 1 7 . 1 1 33 33 PHE HA H 33 4.889 4.889 5.007 -0.118 19684 2210 1 7 . 1 1 33 33 PHE C C 33 173.660 173.660 173.222 0.438 19684 2211 1 7 . 1 1 33 33 PHE CA C 33 56.261 56.261 56.882 -0.621 19684 2212 1 7 . 1 1 33 33 PHE CB C 33 39.272 39.272 41.508 -2.236 19684 2213 1 7 . 1 1 33 33 PHE H H 33 8.697 8.697 8.724 -0.027 19684 2214 1 7 . 1 1 34 34 GLU N N 34 119.852 119.852 120.193 -0.341 19684 2215 1 7 . 1 1 34 34 GLU HA H 34 4.622 4.622 4.802 -0.180 19684 2216 1 7 . 1 1 34 34 GLU C C 34 176.044 176.044 175.822 0.222 19684 2217 1 7 . 1 1 34 34 GLU CA C 34 53.759 53.759 54.011 -0.252 19684 2218 1 7 . 1 1 34 34 GLU CB C 34 31.878 31.878 31.958 -0.080 19684 2219 1 7 . 1 1 34 34 GLU H H 34 8.616 8.616 8.872 -0.256 19684 2220 1 7 . 1 1 35 35 ILE N N 35 118.386 118.386 121.137 -2.751 19684 2221 1 7 . 1 1 35 35 ILE HA H 35 3.173 3.173 3.730 -0.557 19684 2222 1 7 . 1 1 35 35 ILE C C 35 177.205 177.205 177.159 0.046 19684 2223 1 7 . 1 1 35 35 ILE CA C 35 64.926 64.926 63.410 1.516 19684 2224 1 7 . 1 1 35 35 ILE CB C 35 38.013 38.013 36.743 1.270 19684 2225 1 7 . 1 1 35 35 ILE H H 35 8.428 8.428 8.615 -0.187 19684 2226 1 7 . 1 1 36 36 GLY N N 36 114.528 114.528 115.535 -1.007 19684 2227 1 7 . 1 1 36 36 GLY C C 36 173.669 173.669 173.862 -0.193 19684 2228 1 7 . 1 1 36 36 GLY CA C 36 44.601 44.601 44.636 -0.035 19684 2229 1 7 . 1 1 36 36 GLY H H 36 8.568 8.568 8.547 0.021 19684 2230 1 7 . 1 1 37 37 ALA N N 37 123.910 123.910 125.091 -1.181 19684 2231 1 7 . 1 1 37 37 ALA HA H 37 3.975 3.975 4.215 -0.240 19684 2232 1 7 . 1 1 37 37 ALA C C 37 175.106 175.106 176.513 -1.407 19684 2233 1 7 . 1 1 37 37 ALA CA C 37 53.061 53.061 52.132 0.929 19684 2234 1 7 . 1 1 37 37 ALA CB C 37 19.337 19.337 18.970 0.367 19684 2235 1 7 . 1 1 37 37 ALA H H 37 7.564 7.564 7.688 -0.124 19684 2236 1 7 . 1 1 38 38 ILE N N 38 120.298 120.298 124.015 -3.717 19684 2237 1 7 . 1 1 38 38 ILE HA H 38 4.867 4.867 4.592 0.275 19684 2238 1 7 . 1 1 38 38 ILE C C 38 174.910 174.910 175.143 -0.233 19684 2239 1 7 . 1 1 38 38 ILE CA C 38 58.050 58.050 58.825 -0.775 19684 2240 1 7 . 1 1 38 38 ILE CB C 38 38.080 38.080 37.754 0.326 19684 2241 1 7 . 1 1 38 38 ILE H H 38 7.843 7.843 8.095 -0.252 19684 2242 1 7 . 1 1 39 39 PHE N N 39 124.481 124.481 125.228 -0.747 19684 2243 1 7 . 1 1 39 39 PHE HA H 39 4.889 4.889 5.182 -0.293 19684 2244 1 7 . 1 1 39 39 PHE C C 39 175.106 175.106 175.690 -0.584 19684 2245 1 7 . 1 1 39 39 PHE CA C 39 55.542 55.542 55.869 -0.327 19684 2246 1 7 . 1 1 39 39 PHE CB C 39 42.173 42.173 42.834 -0.661 19684 2247 1 7 . 1 1 39 39 PHE H H 39 8.884 8.884 8.368 0.516 19684 2248 1 7 . 1 1 40 40 GLU N N 40 117.747 117.747 119.415 -1.668 19684 2249 1 7 . 1 1 40 40 GLU HA H 40 4.788 4.788 4.668 0.120 19684 2250 1 7 . 1 1 40 40 GLU C C 40 175.797 175.797 175.564 0.233 19684 2251 1 7 . 1 1 40 40 GLU CA C 40 53.945 53.945 55.421 -1.476 19684 2252 1 7 . 1 1 40 40 GLU CB C 40 32.928 32.928 33.657 -0.730 19684 2253 1 7 . 1 1 40 40 GLU H H 40 9.047 9.047 8.485 0.562 19684 2254 1 7 . 1 1 41 41 ASP N N 41 120.461 120.461 122.149 -1.688 19684 2255 1 7 . 1 1 41 41 ASP HA H 41 4.331 4.331 4.340 -0.009 19684 2256 1 7 . 1 1 41 41 ASP C C 41 175.720 175.720 174.661 1.059 19684 2257 1 7 . 1 1 41 41 ASP CA C 41 54.842 54.842 55.038 -0.195 19684 2258 1 7 . 1 1 41 41 ASP CB C 41 39.241 39.241 39.919 -0.678 19684 2259 1 7 . 1 1 41 41 ASP H H 41 8.875 8.875 8.600 0.275 19684 2260 1 7 . 1 1 42 42 VAL N N 42 120.471 120.471 120.608 -0.137 19684 2261 1 7 . 1 1 42 42 VAL HA H 42 4.788 4.788 4.296 0.492 19684 2262 1 7 . 1 1 42 42 VAL C C 42 176.652 176.652 175.722 0.930 19684 2263 1 7 . 1 1 42 42 VAL CA C 42 62.583 62.583 63.250 -0.667 19684 2264 1 7 . 1 1 42 42 VAL CB C 42 31.408 31.408 31.818 -0.410 19684 2265 1 7 . 1 1 42 42 VAL H H 42 8.932 8.932 7.852 1.080 19684 2266 1 7 . 1 1 43 43 GLN N N 43 124.450 124.450 126.438 -1.988 19684 2267 1 7 . 1 1 43 43 GLN HA H 43 4.859 4.859 4.733 0.126 19684 2268 1 7 . 1 1 43 43 GLN C C 43 174.928 174.928 175.136 -0.208 19684 2269 1 7 . 1 1 43 43 GLN CA C 43 53.436 53.436 53.874 -0.438 19684 2270 1 7 . 1 1 43 43 GLN CB C 43 33.482 33.482 32.258 1.224 19684 2271 1 7 . 1 1 43 43 GLN H H 43 9.057 9.057 8.905 0.152 19684 2272 1 7 . 1 1 44 44 THR N N 44 116.345 116.345 117.213 -0.868 19684 2273 1 7 . 1 1 44 44 THR HA H 44 4.149 4.149 4.434 -0.285 19684 2274 1 7 . 1 1 44 44 THR C C 44 174.138 174.138 174.621 -0.483 19684 2275 1 7 . 1 1 44 44 THR CA C 44 64.288 64.288 62.212 2.076 19684 2276 1 7 . 1 1 44 44 THR CB C 44 69.164 69.164 69.433 -0.269 19684 2277 1 7 . 1 1 44 44 THR H H 44 8.640 8.640 8.471 0.169 19684 2278 1 7 . 1 1 45 45 SER N N 45 119.635 119.635 120.420 -0.785 19684 2279 1 7 . 1 1 45 45 SER HA H 45 4.670 4.670 4.500 0.170 19684 2280 1 7 . 1 1 45 45 SER C C 45 174.304 174.304 175.369 -1.065 19684 2281 1 7 . 1 1 45 45 SER CA C 45 57.064 57.064 58.169 -1.105 19684 2282 1 7 . 1 1 45 45 SER CB C 45 65.275 65.275 64.251 1.024 19684 2283 1 7 . 1 1 45 45 SER H H 45 7.971 7.971 8.442 -0.471 19684 2284 1 7 . 1 1 46 46 ARG N N 46 120.482 120.482 119.690 0.792 19684 2285 1 7 . 1 1 46 46 ARG HA H 46 4.170 4.170 4.247 -0.077 19684 2286 1 7 . 1 1 46 46 ARG C C 46 176.486 176.486 175.852 0.634 19684 2287 1 7 . 1 1 46 46 ARG CA C 46 57.675 57.675 57.400 0.275 19684 2288 1 7 . 1 1 46 46 ARG CB C 46 30.019 30.019 30.210 -0.191 19684 2289 1 7 . 1 1 46 46 ARG H H 46 8.491 8.491 8.550 -0.059 19684 2290 1 7 . 1 1 47 47 GLU N N 47 121.489 121.489 122.451 -0.962 19684 2291 1 7 . 1 1 47 47 GLU HA H 47 4.820 4.820 4.491 0.329 19684 2292 1 7 . 1 1 47 47 GLU C C 47 173.926 173.926 174.499 -0.573 19684 2293 1 7 . 1 1 47 47 GLU CA C 47 52.716 52.716 53.908 -1.192 19684 2294 1 7 . 1 1 47 47 GLU CB C 47 30.039 30.039 29.016 1.023 19684 2295 1 7 . 1 1 47 47 GLU H H 47 8.530 8.530 8.137 0.393 19684 2296 1 7 . 1 1 48 48 PRO HA H 48 4.363 4.363 4.327 0.036 19684 2297 1 7 . 1 1 48 48 PRO C C 48 177.954 177.954 176.761 1.193 19684 2298 1 7 . 1 1 48 48 PRO CA C 48 63.672 63.672 63.609 0.062 19684 2299 1 7 . 1 1 48 48 PRO CB C 48 31.798 31.798 31.322 0.476 19684 2300 1 7 . 1 1 49 49 GLY N N 49 110.220 110.220 111.298 -1.078 19684 2301 1 7 . 1 1 49 49 GLY C C 49 174.196 174.196 173.601 0.595 19684 2302 1 7 . 1 1 49 49 GLY CA C 49 44.965 44.965 44.723 0.242 19684 2303 1 7 . 1 1 49 49 GLY H H 49 8.660 8.660 8.168 0.492 19684 2304 1 7 . 1 1 50 50 TRP N N 50 120.527 120.527 121.004 -0.477 19684 2305 1 7 . 1 1 50 50 TRP HA H 50 5.098 5.098 5.328 -0.230 19684 2306 1 7 . 1 1 50 50 TRP C C 50 175.686 175.686 175.193 0.493 19684 2307 1 7 . 1 1 50 50 TRP CA C 50 56.460 56.460 56.515 -0.055 19684 2308 1 7 . 1 1 50 50 TRP CB C 50 31.745 31.745 31.657 0.088 19684 2309 1 7 . 1 1 50 50 TRP H H 50 8.025 8.025 7.827 0.198 19684 2310 1 7 . 1 1 51 51 LEU N N 51 123.575 123.575 119.586 3.989 19684 2311 1 7 . 1 1 51 51 LEU HA H 51 4.966 4.966 5.191 -0.225 19684 2312 1 7 . 1 1 51 51 LEU C C 51 175.162 175.162 175.501 -0.339 19684 2313 1 7 . 1 1 51 51 LEU CA C 51 52.643 52.643 53.316 -0.672 19684 2314 1 7 . 1 1 51 51 LEU CB C 51 44.214 44.214 46.145 -1.931 19684 2315 1 7 . 1 1 51 51 LEU H H 51 9.635 9.635 9.137 0.498 19684 2316 1 7 . 1 1 52 52 GLU N N 52 119.825 119.825 119.536 0.289 19684 2317 1 7 . 1 1 52 52 GLU HA H 52 5.180 5.180 5.589 -0.409 19684 2318 1 7 . 1 1 52 52 GLU C C 52 175.082 175.082 175.898 -0.816 19684 2319 1 7 . 1 1 52 52 GLU CA C 52 54.693 54.693 54.698 -0.005 19684 2320 1 7 . 1 1 52 52 GLU CB C 52 32.735 32.735 33.282 -0.547 19684 2321 1 7 . 1 1 52 52 GLU H H 52 9.144 9.144 8.632 0.512 19684 2322 1 7 . 1 1 53 53 GLY N N 53 106.528 106.528 110.970 -4.442 19684 2323 1 7 . 1 1 53 53 GLY C C 53 170.278 170.278 172.804 -2.526 19684 2324 1 7 . 1 1 53 53 GLY CA C 53 45.500 45.500 44.732 0.768 19684 2325 1 7 . 1 1 53 53 GLY H H 53 8.500 8.500 8.009 0.491 19684 2326 1 7 . 1 1 54 54 THR N N 54 115.540 115.540 119.530 -3.990 19684 2327 1 7 . 1 1 54 54 THR HA H 54 5.334 5.334 4.677 0.657 19684 2328 1 7 . 1 1 54 54 THR C C 54 173.549 173.549 173.547 0.002 19684 2329 1 7 . 1 1 54 54 THR CA C 54 61.186 61.186 63.059 -1.873 19684 2330 1 7 . 1 1 54 54 THR CB C 54 69.935 69.935 69.542 0.393 19684 2331 1 7 . 1 1 54 54 THR H H 54 9.085 9.085 8.618 0.467 19684 2332 1 7 . 1 1 55 55 LEU N N 55 128.613 128.613 129.354 -0.741 19684 2333 1 7 . 1 1 55 55 LEU HA H 55 4.842 4.842 4.730 0.112 19684 2334 1 7 . 1 1 55 55 LEU C C 55 176.045 176.045 176.321 -0.276 19684 2335 1 7 . 1 1 55 55 LEU CA C 55 53.387 53.387 53.299 0.088 19684 2336 1 7 . 1 1 55 55 LEU CB C 55 45.579 45.579 43.453 2.126 19684 2337 1 7 . 1 1 55 55 LEU H H 55 9.368 9.368 8.578 0.790 19684 2338 1 7 . 1 1 56 56 ASN N N 56 128.674 128.674 125.421 3.253 19684 2339 1 7 . 1 1 56 56 ASN HA H 56 4.403 4.403 4.407 -0.004 19684 2340 1 7 . 1 1 56 56 ASN C C 56 175.457 175.457 175.153 0.304 19684 2341 1 7 . 1 1 56 56 ASN CA C 56 54.126 54.126 53.966 0.160 19684 2342 1 7 . 1 1 56 56 ASN CB C 56 37.291 37.291 37.695 -0.404 19684 2343 1 7 . 1 1 56 56 ASN H H 56 9.670 9.670 9.364 0.306 19684 2344 1 7 . 1 1 57 57 GLY N N 57 102.683 102.683 103.749 -1.066 19684 2345 1 7 . 1 1 57 57 GLY C C 57 173.175 173.175 173.456 -0.281 19684 2346 1 7 . 1 1 57 57 GLY CA C 57 45.263 45.263 45.026 0.237 19684 2347 1 7 . 1 1 57 57 GLY H H 57 8.441 8.441 8.579 -0.138 19684 2348 1 7 . 1 1 58 58 LYS N N 58 122.749 122.749 120.587 2.162 19684 2349 1 7 . 1 1 58 58 LYS HA H 58 4.621 4.621 4.722 -0.101 19684 2350 1 7 . 1 1 58 58 LYS C C 58 173.237 173.237 175.221 -1.984 19684 2351 1 7 . 1 1 58 58 LYS CA C 58 54.962 54.962 55.397 -0.434 19684 2352 1 7 . 1 1 58 58 LYS CB C 58 34.303 34.303 34.460 -0.157 19684 2353 1 7 . 1 1 58 58 LYS H H 58 7.847 7.847 7.772 0.075 19684 2354 1 7 . 1 1 59 59 ARG N N 59 127.435 127.435 128.435 -1.000 19684 2355 1 7 . 1 1 59 59 ARG HA H 59 5.417 5.417 5.487 -0.070 19684 2356 1 7 . 1 1 59 59 ARG C C 59 176.486 176.486 175.601 0.885 19684 2357 1 7 . 1 1 59 59 ARG CA C 59 54.079 54.079 55.171 -1.092 19684 2358 1 7 . 1 1 59 59 ARG CB C 59 31.815 31.815 32.774 -0.959 19684 2359 1 7 . 1 1 59 59 ARG H H 59 8.741 8.741 8.824 -0.083 19684 2360 1 7 . 1 1 60 60 GLY N N 60 112.447 112.447 110.291 2.156 19684 2361 1 7 . 1 1 60 60 GLY C C 60 170.709 170.709 172.221 -1.512 19684 2362 1 7 . 1 1 60 60 GLY CA C 60 45.648 45.648 45.071 0.577 19684 2363 1 7 . 1 1 60 60 GLY H H 60 8.745 8.745 7.965 0.780 19684 2364 1 7 . 1 1 61 61 LEU N N 61 117.631 117.631 121.715 -4.084 19684 2365 1 7 . 1 1 61 61 LEU HA H 61 5.330 5.330 4.715 0.615 19684 2366 1 7 . 1 1 61 61 LEU C C 61 178.461 178.461 176.448 2.013 19684 2367 1 7 . 1 1 61 61 LEU CA C 61 54.784 54.784 55.539 -0.755 19684 2368 1 7 . 1 1 61 61 LEU CB C 61 44.075 44.075 42.605 1.470 19684 2369 1 7 . 1 1 61 61 LEU H H 61 8.527 8.527 8.152 0.375 19684 2370 1 7 . 1 1 62 62 ILE N N 62 121.463 121.463 124.474 -3.011 19684 2371 1 7 . 1 1 62 62 ILE HA H 62 4.899 4.899 4.847 0.052 19684 2372 1 7 . 1 1 62 62 ILE C C 62 172.776 172.776 173.484 -0.708 19684 2373 1 7 . 1 1 62 62 ILE CA C 62 58.089 58.089 58.142 -0.053 19684 2374 1 7 . 1 1 62 62 ILE CB C 62 43.821 43.821 40.710 3.111 19684 2375 1 7 . 1 1 62 62 ILE H H 62 9.387 9.387 9.355 0.032 19684 2376 1 7 . 1 1 63 63 PRO HA H 63 3.610 3.610 3.494 0.116 19684 2377 1 7 . 1 1 63 63 PRO C C 63 179.007 179.007 176.858 2.149 19684 2378 1 7 . 1 1 63 63 PRO CA C 63 62.475 62.475 62.140 0.335 19684 2379 1 7 . 1 1 63 63 PRO CB C 63 30.637 30.637 30.712 -0.075 19684 2380 1 7 . 1 1 64 64 GLN N N 64 124.254 124.254 126.370 -2.116 19684 2381 1 7 . 1 1 64 64 GLN HA H 64 3.624 3.624 3.785 -0.161 19684 2382 1 7 . 1 1 64 64 GLN C C 64 176.210 176.210 177.666 -1.456 19684 2383 1 7 . 1 1 64 64 GLN CA C 64 58.984 58.984 59.233 -0.249 19684 2384 1 7 . 1 1 64 64 GLN CB C 64 28.212 28.212 28.537 -0.325 19684 2385 1 7 . 1 1 64 64 GLN H H 64 8.045 8.045 7.844 0.201 19684 2386 1 7 . 1 1 65 65 ASN N N 65 111.289 111.289 117.102 -5.813 19684 2387 1 7 . 1 1 65 65 ASN HA H 65 4.722 4.722 4.593 0.129 19684 2388 1 7 . 1 1 65 65 ASN C C 65 175.720 175.720 176.636 -0.916 19684 2389 1 7 . 1 1 65 65 ASN CA C 65 53.734 53.734 55.567 -1.833 19684 2390 1 7 . 1 1 65 65 ASN CB C 65 36.735 36.735 38.098 -1.363 19684 2391 1 7 . 1 1 65 65 ASN H H 65 8.543 8.543 8.433 0.110 19684 2392 1 7 . 1 1 66 66 TYR N N 66 118.333 118.333 115.901 2.432 19684 2393 1 7 . 1 1 66 66 TYR HA H 66 4.906 4.906 4.884 0.022 19684 2394 1 7 . 1 1 66 66 TYR C C 66 175.641 175.641 175.424 0.217 19684 2395 1 7 . 1 1 66 66 TYR CA C 66 57.121 57.121 56.265 0.856 19684 2396 1 7 . 1 1 66 66 TYR CB C 66 37.682 37.682 38.678 -0.996 19684 2397 1 7 . 1 1 66 66 TYR H H 66 7.919 7.919 7.731 0.188 19684 2398 1 7 . 1 1 67 67 VAL N N 67 108.796 108.796 112.239 -3.443 19684 2399 1 7 . 1 1 67 67 VAL HA H 67 5.441 5.441 5.158 0.283 19684 2400 1 7 . 1 1 67 67 VAL C C 67 173.714 173.714 174.402 -0.688 19684 2401 1 7 . 1 1 67 67 VAL CA C 67 57.990 57.990 58.897 -0.906 19684 2402 1 7 . 1 1 67 67 VAL CB C 67 35.467 35.467 35.596 -0.129 19684 2403 1 7 . 1 1 67 67 VAL H H 67 7.341 7.341 7.329 0.012 19684 2404 1 7 . 1 1 68 68 LYS N N 68 120.974 120.974 121.448 -0.474 19684 2405 1 7 . 1 1 68 68 LYS HA H 68 4.692 4.692 4.597 0.095 19684 2406 1 7 . 1 1 68 68 LYS C C 68 175.962 175.962 175.290 0.672 19684 2407 1 7 . 1 1 68 68 LYS CA C 68 54.108 54.108 54.617 -0.509 19684 2408 1 7 . 1 1 68 68 LYS CB C 68 35.051 35.051 36.375 -1.324 19684 2409 1 7 . 1 1 68 68 LYS H H 68 8.907 8.907 8.643 0.264 19684 2410 1 7 . 1 1 69 69 LEU N N 69 126.343 126.343 127.153 -0.810 19684 2411 1 7 . 1 1 69 69 LEU HA H 69 4.392 4.392 4.511 -0.119 19684 2412 1 7 . 1 1 69 69 LEU C C 69 176.293 176.293 177.020 -0.727 19684 2413 1 7 . 1 1 69 69 LEU CA C 69 55.627 55.627 55.235 0.392 19684 2414 1 7 . 1 1 69 69 LEU CB C 69 41.278 41.278 41.414 -0.136 19684 2415 1 7 . 1 1 69 69 LEU H H 69 8.791 8.791 8.716 0.075 19684 2416 1 8 . 1 1 2 2 GLY N N 2 113.935 113.935 107.595 6.340 19684 2417 1 8 . 1 1 2 2 GLY CA C 2 43.362 43.362 45.544 -2.182 19684 2418 1 8 . 1 1 2 2 GLY H H 2 8.251 8.251 7.996 0.255 19684 2419 1 8 . 1 1 9 9 SER HA H 9 4.375 4.375 4.604 -0.229 19684 2420 1 8 . 1 1 9 9 SER CA C 9 58.422 58.422 57.192 1.230 19684 2421 1 8 . 1 1 9 9 SER CB C 9 63.552 63.552 64.812 -1.260 19684 2422 1 8 . 1 1 10 10 HIS HA H 10 4.622 4.622 4.188 0.434 19684 2423 1 8 . 1 1 10 10 HIS C C 10 174.853 174.853 174.137 0.716 19684 2424 1 8 . 1 1 10 10 HIS CA C 10 55.967 55.967 55.488 0.479 19684 2425 1 8 . 1 1 10 10 HIS CB C 10 30.242 30.242 28.581 1.661 19684 2426 1 8 . 1 1 11 11 MET N N 11 121.242 121.242 120.519 0.723 19684 2427 1 8 . 1 1 11 11 MET HA H 11 4.432 4.432 4.291 0.141 19684 2428 1 8 . 1 1 11 11 MET C C 11 175.804 175.804 176.245 -0.441 19684 2429 1 8 . 1 1 11 11 MET CA C 11 55.487 55.487 54.271 1.216 19684 2430 1 8 . 1 1 11 11 MET CB C 11 32.712 32.712 32.488 0.224 19684 2431 1 8 . 1 1 11 11 MET H H 11 8.210 8.210 7.460 0.750 19684 2432 1 8 . 1 1 12 12 ILE N N 12 122.708 122.708 126.846 -4.138 19684 2433 1 8 . 1 1 12 12 ILE HA H 12 4.173 4.173 3.791 0.382 19684 2434 1 8 . 1 1 12 12 ILE C C 12 175.916 175.916 175.221 0.695 19684 2435 1 8 . 1 1 12 12 ILE CA C 12 60.878 60.878 61.170 -0.292 19684 2436 1 8 . 1 1 12 12 ILE CB C 12 38.534 38.534 35.471 3.063 19684 2437 1 8 . 1 1 12 12 ILE H H 12 8.236 8.236 8.601 -0.365 19684 2438 1 8 . 1 1 13 13 ARG N N 13 125.079 125.079 122.610 2.469 19684 2439 1 8 . 1 1 13 13 ARG HA H 13 4.472 4.472 4.509 -0.037 19684 2440 1 8 . 1 1 13 13 ARG C C 13 175.573 175.573 174.699 0.874 19684 2441 1 8 . 1 1 13 13 ARG CA C 13 55.645 55.645 54.733 0.912 19684 2442 1 8 . 1 1 13 13 ARG CB C 13 31.256 31.256 32.321 -1.065 19684 2443 1 8 . 1 1 13 13 ARG H H 13 8.386 8.386 7.798 0.588 19684 2444 1 8 . 1 1 14 14 SER N N 14 117.250 117.250 114.561 2.689 19684 2445 1 8 . 1 1 14 14 SER HA H 14 4.441 4.441 4.121 0.320 19684 2446 1 8 . 1 1 14 14 SER C C 14 174.090 174.090 173.736 0.354 19684 2447 1 8 . 1 1 14 14 SER CA C 14 58.062 58.062 59.196 -1.134 19684 2448 1 8 . 1 1 14 14 SER CB C 14 63.638 63.638 62.694 0.944 19684 2449 1 8 . 1 1 14 14 SER H H 14 8.386 8.386 8.867 -0.481 19684 2450 1 8 . 1 1 15 15 ARG N N 15 123.266 123.266 119.643 3.623 19684 2451 1 8 . 1 1 15 15 ARG HA H 15 4.651 4.651 4.563 0.088 19684 2452 1 8 . 1 1 15 15 ARG C C 15 174.913 174.913 175.449 -0.536 19684 2453 1 8 . 1 1 15 15 ARG CA C 15 54.960 54.960 55.008 -0.048 19684 2454 1 8 . 1 1 15 15 ARG CB C 15 31.574 31.574 32.292 -0.718 19684 2455 1 8 . 1 1 15 15 ARG H H 15 8.721 8.721 8.289 0.432 19684 2456 1 8 . 1 1 16 16 LYS N N 16 120.105 120.105 122.607 -2.502 19684 2457 1 8 . 1 1 16 16 LYS HA H 16 5.315 5.315 5.090 0.225 19684 2458 1 8 . 1 1 16 16 LYS C C 16 175.755 175.755 175.760 -0.005 19684 2459 1 8 . 1 1 16 16 LYS CA C 16 54.926 54.926 55.633 -0.707 19684 2460 1 8 . 1 1 16 16 LYS CB C 16 36.741 36.741 34.671 2.070 19684 2461 1 8 . 1 1 16 16 LYS H H 16 8.406 8.406 8.441 -0.035 19684 2462 1 8 . 1 1 17 17 ALA N N 17 118.564 118.564 121.149 -2.585 19684 2463 1 8 . 1 1 17 17 ALA HA H 17 5.256 5.256 5.177 0.079 19684 2464 1 8 . 1 1 17 17 ALA C C 17 173.884 173.884 175.310 -1.426 19684 2465 1 8 . 1 1 17 17 ALA CA C 17 50.673 50.673 50.761 -0.088 19684 2466 1 8 . 1 1 17 17 ALA CB C 17 23.580 23.580 23.463 0.117 19684 2467 1 8 . 1 1 17 17 ALA H H 17 8.310 8.310 8.527 -0.217 19684 2468 1 8 . 1 1 18 18 ARG N N 18 119.872 119.872 120.069 -0.197 19684 2469 1 8 . 1 1 18 18 ARG HA H 18 5.755 5.755 5.114 0.641 19684 2470 1 8 . 1 1 18 18 ARG C C 18 176.196 176.196 174.793 1.403 19684 2471 1 8 . 1 1 18 18 ARG CA C 18 53.023 53.023 54.722 -1.699 19684 2472 1 8 . 1 1 18 18 ARG CB C 18 34.603 34.603 34.464 0.139 19684 2473 1 8 . 1 1 18 18 ARG H H 18 9.008 9.008 8.667 0.341 19684 2474 1 8 . 1 1 19 19 ALA N N 19 127.577 127.577 129.958 -2.381 19684 2475 1 8 . 1 1 19 19 ALA HA H 19 4.828 4.828 4.774 0.054 19684 2476 1 8 . 1 1 19 19 ALA C C 19 178.887 178.887 177.701 1.186 19684 2477 1 8 . 1 1 19 19 ALA CA C 19 53.215 53.215 52.729 0.486 19684 2478 1 8 . 1 1 19 19 ALA CB C 19 21.164 21.164 19.108 2.056 19684 2479 1 8 . 1 1 19 19 ALA H H 19 9.456 9.456 8.698 0.758 19684 2480 1 8 . 1 1 20 20 VAL N N 20 120.989 120.989 118.999 1.990 19684 2481 1 8 . 1 1 20 20 VAL HA H 20 4.233 4.233 4.212 0.021 19684 2482 1 8 . 1 1 20 20 VAL C C 20 173.478 173.478 175.052 -1.574 19684 2483 1 8 . 1 1 20 20 VAL CA C 20 61.659 61.659 61.980 -0.321 19684 2484 1 8 . 1 1 20 20 VAL CB C 20 32.406 32.406 32.353 0.053 19684 2485 1 8 . 1 1 20 20 VAL H H 20 9.261 9.261 8.326 0.935 19684 2486 1 8 . 1 1 21 21 TYR N N 21 120.793 120.793 119.858 0.935 19684 2487 1 8 . 1 1 21 21 TYR HA H 21 4.917 4.917 4.812 0.105 19684 2488 1 8 . 1 1 21 21 TYR C C 21 171.768 171.768 173.403 -1.635 19684 2489 1 8 . 1 1 21 21 TYR CA C 21 54.783 54.783 55.234 -0.451 19684 2490 1 8 . 1 1 21 21 TYR CB C 21 41.028 41.028 39.674 1.354 19684 2491 1 8 . 1 1 21 21 TYR H H 21 7.740 7.740 7.909 -0.169 19684 2492 1 8 . 1 1 22 22 PRO HA H 22 4.569 4.569 4.790 -0.221 19684 2493 1 8 . 1 1 22 22 PRO C C 22 175.447 175.447 175.113 0.334 19684 2494 1 8 . 1 1 22 22 PRO CA C 22 61.784 61.784 62.368 -0.584 19684 2495 1 8 . 1 1 22 22 PRO CB C 22 32.301 32.301 32.947 -0.646 19684 2496 1 8 . 1 1 23 23 CYS N N 23 117.584 117.584 117.590 -0.006 19684 2497 1 8 . 1 1 23 23 CYS HA H 23 4.369 4.369 4.797 -0.428 19684 2498 1 8 . 1 1 23 23 CYS C C 23 173.409 173.409 173.150 0.259 19684 2499 1 8 . 1 1 23 23 CYS CA C 23 58.325 58.325 56.469 1.856 19684 2500 1 8 . 1 1 23 23 CYS CB C 23 30.008 30.008 30.632 -0.624 19684 2501 1 8 . 1 1 23 23 CYS H H 23 8.265 8.265 8.070 0.195 19684 2502 1 8 . 1 1 24 24 GLU N N 24 131.184 131.184 121.427 9.757 19684 2503 1 8 . 1 1 24 24 GLU HA H 24 4.539 4.539 4.455 0.084 19684 2504 1 8 . 1 1 24 24 GLU C C 24 174.814 174.814 174.338 0.476 19684 2505 1 8 . 1 1 24 24 GLU CA C 24 54.416 54.416 54.937 -0.520 19684 2506 1 8 . 1 1 24 24 GLU CB C 24 30.172 30.172 32.383 -2.211 19684 2507 1 8 . 1 1 24 24 GLU H H 24 8.594 8.594 8.492 0.102 19684 2508 1 8 . 1 1 25 25 ALA N N 25 128.937 128.937 126.599 2.338 19684 2509 1 8 . 1 1 25 25 ALA HA H 25 4.180 4.180 4.380 -0.200 19684 2510 1 8 . 1 1 25 25 ALA C C 25 178.154 178.154 177.297 0.857 19684 2511 1 8 . 1 1 25 25 ALA CA C 25 52.809 52.809 52.158 0.651 19684 2512 1 8 . 1 1 25 25 ALA CB C 25 20.779 20.779 19.559 1.220 19684 2513 1 8 . 1 1 25 25 ALA H H 25 8.555 8.555 8.526 0.029 19684 2514 1 8 . 1 1 26 26 GLU N N 26 119.582 119.582 123.136 -3.554 19684 2515 1 8 . 1 1 26 26 GLU HA H 26 4.268 4.268 4.287 -0.019 19684 2516 1 8 . 1 1 26 26 GLU C C 26 175.916 175.916 176.935 -1.019 19684 2517 1 8 . 1 1 26 26 GLU CA C 26 56.345 56.345 57.031 -0.686 19684 2518 1 8 . 1 1 26 26 GLU CB C 26 31.091 31.091 30.798 0.293 19684 2519 1 8 . 1 1 26 26 GLU H H 26 8.613 8.613 8.769 -0.156 19684 2520 1 8 . 1 1 27 27 HIS N N 27 115.533 115.533 120.413 -4.880 19684 2521 1 8 . 1 1 27 27 HIS C C 27 175.986 175.986 176.044 -0.058 19684 2522 1 8 . 1 1 27 27 HIS CA C 27 54.711 54.711 54.415 0.296 19684 2523 1 8 . 1 1 27 27 HIS CB C 27 32.077 32.077 32.847 -0.770 19684 2524 1 8 . 1 1 27 27 HIS H H 27 7.418 7.418 8.175 -0.757 19684 2525 1 8 . 1 1 28 28 SER HA H 28 4.255 4.255 4.213 0.042 19684 2526 1 8 . 1 1 28 28 SER C C 28 174.619 174.619 175.583 -0.964 19684 2527 1 8 . 1 1 28 28 SER CA C 28 60.985 60.985 61.221 -0.236 19684 2528 1 8 . 1 1 28 28 SER CB C 28 62.890 62.890 63.139 -0.249 19684 2529 1 8 . 1 1 29 29 SER N N 29 114.287 114.287 117.014 -2.727 19684 2530 1 8 . 1 1 29 29 SER HA H 29 4.405 4.405 4.291 0.114 19684 2531 1 8 . 1 1 29 29 SER C C 29 174.305 174.305 175.158 -0.853 19684 2532 1 8 . 1 1 29 29 SER CA C 29 58.564 58.564 61.022 -2.458 19684 2533 1 8 . 1 1 29 29 SER CB C 29 62.953 62.953 63.613 -0.660 19684 2534 1 8 . 1 1 29 29 SER H H 29 8.207 8.207 8.068 0.139 19684 2535 1 8 . 1 1 30 30 GLU N N 30 122.312 122.312 120.324 1.988 19684 2536 1 8 . 1 1 30 30 GLU HA H 30 4.690 4.690 4.490 0.200 19684 2537 1 8 . 1 1 30 30 GLU C C 30 175.373 175.373 176.183 -0.810 19684 2538 1 8 . 1 1 30 30 GLU CA C 30 54.894 54.894 56.049 -1.155 19684 2539 1 8 . 1 1 30 30 GLU CB C 30 31.495 31.495 30.738 0.757 19684 2540 1 8 . 1 1 30 30 GLU H H 30 7.798 7.798 7.460 0.338 19684 2541 1 8 . 1 1 31 31 LEU N N 31 118.829 118.829 119.909 -1.080 19684 2542 1 8 . 1 1 31 31 LEU HA H 31 4.686 4.686 4.870 -0.184 19684 2543 1 8 . 1 1 31 31 LEU C C 31 177.013 177.013 175.484 1.529 19684 2544 1 8 . 1 1 31 31 LEU CA C 31 54.627 54.627 53.902 0.725 19684 2545 1 8 . 1 1 31 31 LEU CB C 31 43.640 43.640 45.868 -2.228 19684 2546 1 8 . 1 1 31 31 LEU H H 31 8.084 8.084 8.365 -0.281 19684 2547 1 8 . 1 1 32 32 SER N N 32 115.422 115.422 114.580 0.842 19684 2548 1 8 . 1 1 32 32 SER HA H 32 4.863 4.863 4.882 -0.019 19684 2549 1 8 . 1 1 32 32 SER C C 32 173.966 173.966 173.806 0.160 19684 2550 1 8 . 1 1 32 32 SER CA C 32 57.745 57.745 57.387 0.358 19684 2551 1 8 . 1 1 32 32 SER CB C 32 64.735 64.735 65.088 -0.353 19684 2552 1 8 . 1 1 32 32 SER H H 32 8.054 8.054 8.409 -0.355 19684 2553 1 8 . 1 1 33 33 PHE N N 33 116.920 116.920 119.504 -2.584 19684 2554 1 8 . 1 1 33 33 PHE HA H 33 4.889 4.889 4.936 -0.047 19684 2555 1 8 . 1 1 33 33 PHE C C 33 173.660 173.660 173.181 0.479 19684 2556 1 8 . 1 1 33 33 PHE CA C 33 56.261 56.261 57.435 -1.174 19684 2557 1 8 . 1 1 33 33 PHE CB C 33 39.272 39.272 39.987 -0.715 19684 2558 1 8 . 1 1 33 33 PHE H H 33 8.697 8.697 8.696 0.001 19684 2559 1 8 . 1 1 34 34 GLU N N 34 119.852 119.852 118.617 1.235 19684 2560 1 8 . 1 1 34 34 GLU HA H 34 4.622 4.622 4.849 -0.227 19684 2561 1 8 . 1 1 34 34 GLU C C 34 176.044 176.044 175.709 0.335 19684 2562 1 8 . 1 1 34 34 GLU CA C 34 53.759 53.759 54.315 -0.555 19684 2563 1 8 . 1 1 34 34 GLU CB C 34 31.878 31.878 33.567 -1.689 19684 2564 1 8 . 1 1 34 34 GLU H H 34 8.616 8.616 8.677 -0.061 19684 2565 1 8 . 1 1 35 35 ILE N N 35 118.386 118.386 120.116 -1.730 19684 2566 1 8 . 1 1 35 35 ILE HA H 35 3.173 3.173 3.734 -0.561 19684 2567 1 8 . 1 1 35 35 ILE C C 35 177.205 177.205 177.424 -0.219 19684 2568 1 8 . 1 1 35 35 ILE CA C 35 64.926 64.926 63.168 1.758 19684 2569 1 8 . 1 1 35 35 ILE CB C 35 38.013 38.013 37.373 0.640 19684 2570 1 8 . 1 1 35 35 ILE H H 35 8.428 8.428 8.566 -0.138 19684 2571 1 8 . 1 1 36 36 GLY N N 36 114.528 114.528 114.561 -0.033 19684 2572 1 8 . 1 1 36 36 GLY C C 36 173.669 173.669 173.956 -0.287 19684 2573 1 8 . 1 1 36 36 GLY CA C 36 44.601 44.601 44.696 -0.094 19684 2574 1 8 . 1 1 36 36 GLY H H 36 8.568 8.568 8.768 -0.200 19684 2575 1 8 . 1 1 37 37 ALA N N 37 123.910 123.910 125.392 -1.482 19684 2576 1 8 . 1 1 37 37 ALA HA H 37 3.975 3.975 4.096 -0.121 19684 2577 1 8 . 1 1 37 37 ALA C C 37 175.106 175.106 176.512 -1.406 19684 2578 1 8 . 1 1 37 37 ALA CA C 37 53.061 53.061 52.041 1.020 19684 2579 1 8 . 1 1 37 37 ALA CB C 37 19.337 19.337 18.570 0.767 19684 2580 1 8 . 1 1 37 37 ALA H H 37 7.564 7.564 7.618 -0.054 19684 2581 1 8 . 1 1 38 38 ILE N N 38 120.298 120.298 124.840 -4.542 19684 2582 1 8 . 1 1 38 38 ILE HA H 38 4.867 4.867 4.301 0.566 19684 2583 1 8 . 1 1 38 38 ILE C C 38 174.910 174.910 175.154 -0.244 19684 2584 1 8 . 1 1 38 38 ILE CA C 38 58.050 58.050 59.241 -1.191 19684 2585 1 8 . 1 1 38 38 ILE CB C 38 38.080 38.080 36.620 1.460 19684 2586 1 8 . 1 1 38 38 ILE H H 38 7.843 7.843 7.826 0.017 19684 2587 1 8 . 1 1 39 39 PHE N N 39 124.481 124.481 127.440 -2.959 19684 2588 1 8 . 1 1 39 39 PHE HA H 39 4.889 4.889 5.145 -0.256 19684 2589 1 8 . 1 1 39 39 PHE C C 39 175.106 175.106 175.808 -0.702 19684 2590 1 8 . 1 1 39 39 PHE CA C 39 55.542 55.542 55.927 -0.385 19684 2591 1 8 . 1 1 39 39 PHE CB C 39 42.173 42.173 41.989 0.184 19684 2592 1 8 . 1 1 39 39 PHE H H 39 8.884 8.884 8.475 0.409 19684 2593 1 8 . 1 1 40 40 GLU N N 40 117.747 117.747 118.579 -0.832 19684 2594 1 8 . 1 1 40 40 GLU HA H 40 4.788 4.788 4.770 0.018 19684 2595 1 8 . 1 1 40 40 GLU C C 40 175.797 175.797 175.354 0.443 19684 2596 1 8 . 1 1 40 40 GLU CA C 40 53.945 53.945 55.333 -1.388 19684 2597 1 8 . 1 1 40 40 GLU CB C 40 32.928 32.928 33.858 -0.930 19684 2598 1 8 . 1 1 40 40 GLU H H 40 9.047 9.047 8.610 0.437 19684 2599 1 8 . 1 1 41 41 ASP N N 41 120.461 120.461 119.979 0.482 19684 2600 1 8 . 1 1 41 41 ASP HA H 41 4.331 4.331 4.509 -0.178 19684 2601 1 8 . 1 1 41 41 ASP C C 41 175.720 175.720 175.033 0.687 19684 2602 1 8 . 1 1 41 41 ASP CA C 41 54.842 54.842 55.030 -0.188 19684 2603 1 8 . 1 1 41 41 ASP CB C 41 39.241 39.241 40.352 -1.111 19684 2604 1 8 . 1 1 41 41 ASP H H 41 8.875 8.875 8.364 0.511 19684 2605 1 8 . 1 1 42 42 VAL N N 42 120.471 120.471 120.587 -0.116 19684 2606 1 8 . 1 1 42 42 VAL HA H 42 4.788 4.788 4.262 0.526 19684 2607 1 8 . 1 1 42 42 VAL C C 42 176.652 176.652 176.058 0.594 19684 2608 1 8 . 1 1 42 42 VAL CA C 42 62.583 62.583 62.817 -0.234 19684 2609 1 8 . 1 1 42 42 VAL CB C 42 31.408 31.408 30.505 0.903 19684 2610 1 8 . 1 1 42 42 VAL H H 42 8.932 8.932 8.082 0.850 19684 2611 1 8 . 1 1 43 43 GLN N N 43 124.450 124.450 126.146 -1.696 19684 2612 1 8 . 1 1 43 43 GLN HA H 43 4.859 4.859 4.724 0.135 19684 2613 1 8 . 1 1 43 43 GLN C C 43 174.928 174.928 175.421 -0.493 19684 2614 1 8 . 1 1 43 43 GLN CA C 43 53.436 53.436 53.296 0.140 19684 2615 1 8 . 1 1 43 43 GLN CB C 43 33.482 33.482 31.519 1.963 19684 2616 1 8 . 1 1 43 43 GLN H H 43 9.057 9.057 8.840 0.217 19684 2617 1 8 . 1 1 44 44 THR N N 44 116.345 116.345 116.489 -0.144 19684 2618 1 8 . 1 1 44 44 THR HA H 44 4.149 4.149 4.482 -0.333 19684 2619 1 8 . 1 1 44 44 THR C C 44 174.138 174.138 174.508 -0.370 19684 2620 1 8 . 1 1 44 44 THR CA C 44 64.288 64.288 62.439 1.849 19684 2621 1 8 . 1 1 44 44 THR CB C 44 69.164 69.164 69.519 -0.355 19684 2622 1 8 . 1 1 44 44 THR H H 44 8.640 8.640 8.470 0.170 19684 2623 1 8 . 1 1 45 45 SER N N 45 119.635 119.635 120.612 -0.977 19684 2624 1 8 . 1 1 45 45 SER HA H 45 4.670 4.670 4.661 0.009 19684 2625 1 8 . 1 1 45 45 SER C C 45 174.304 174.304 175.875 -1.571 19684 2626 1 8 . 1 1 45 45 SER CA C 45 57.064 57.064 56.847 0.217 19684 2627 1 8 . 1 1 45 45 SER CB C 45 65.275 65.275 64.531 0.744 19684 2628 1 8 . 1 1 45 45 SER H H 45 7.971 7.971 8.209 -0.238 19684 2629 1 8 . 1 1 46 46 ARG N N 46 120.482 120.482 122.585 -2.103 19684 2630 1 8 . 1 1 46 46 ARG HA H 46 4.170 4.170 4.173 -0.003 19684 2631 1 8 . 1 1 46 46 ARG C C 46 176.486 176.486 176.042 0.444 19684 2632 1 8 . 1 1 46 46 ARG CA C 46 57.675 57.675 58.064 -0.389 19684 2633 1 8 . 1 1 46 46 ARG CB C 46 30.019 30.019 30.507 -0.488 19684 2634 1 8 . 1 1 46 46 ARG H H 46 8.491 8.491 8.432 0.059 19684 2635 1 8 . 1 1 47 47 GLU N N 47 121.489 121.489 119.826 1.663 19684 2636 1 8 . 1 1 47 47 GLU HA H 47 4.820 4.820 4.498 0.322 19684 2637 1 8 . 1 1 47 47 GLU C C 47 173.926 173.926 174.982 -1.056 19684 2638 1 8 . 1 1 47 47 GLU CA C 47 52.716 52.716 54.149 -1.433 19684 2639 1 8 . 1 1 47 47 GLU CB C 47 30.039 30.039 29.210 0.829 19684 2640 1 8 . 1 1 47 47 GLU H H 47 8.530 8.530 8.030 0.500 19684 2641 1 8 . 1 1 48 48 PRO HA H 48 4.363 4.363 4.392 -0.029 19684 2642 1 8 . 1 1 48 48 PRO C C 48 177.954 177.954 177.076 0.878 19684 2643 1 8 . 1 1 48 48 PRO CA C 48 63.672 63.672 63.629 0.043 19684 2644 1 8 . 1 1 48 48 PRO CB C 48 31.798 31.798 31.923 -0.125 19684 2645 1 8 . 1 1 49 49 GLY N N 49 110.220 110.220 111.164 -0.944 19684 2646 1 8 . 1 1 49 49 GLY C C 49 174.196 174.196 173.575 0.621 19684 2647 1 8 . 1 1 49 49 GLY CA C 49 44.965 44.965 44.953 0.012 19684 2648 1 8 . 1 1 49 49 GLY H H 49 8.660 8.660 8.603 0.057 19684 2649 1 8 . 1 1 50 50 TRP N N 50 120.527 120.527 120.236 0.291 19684 2650 1 8 . 1 1 50 50 TRP HA H 50 5.098 5.098 5.446 -0.348 19684 2651 1 8 . 1 1 50 50 TRP C C 50 175.686 175.686 175.216 0.470 19684 2652 1 8 . 1 1 50 50 TRP CA C 50 56.460 56.460 56.142 0.318 19684 2653 1 8 . 1 1 50 50 TRP CB C 50 31.745 31.745 31.559 0.186 19684 2654 1 8 . 1 1 50 50 TRP H H 50 8.025 8.025 7.527 0.498 19684 2655 1 8 . 1 1 51 51 LEU N N 51 123.575 123.575 120.211 3.364 19684 2656 1 8 . 1 1 51 51 LEU HA H 51 4.966 4.966 5.020 -0.054 19684 2657 1 8 . 1 1 51 51 LEU C C 51 175.162 175.162 175.744 -0.582 19684 2658 1 8 . 1 1 51 51 LEU CA C 51 52.643 52.643 53.200 -0.557 19684 2659 1 8 . 1 1 51 51 LEU CB C 51 44.214 44.214 46.119 -1.905 19684 2660 1 8 . 1 1 51 51 LEU H H 51 9.635 9.635 9.119 0.516 19684 2661 1 8 . 1 1 52 52 GLU N N 52 119.825 119.825 120.766 -0.941 19684 2662 1 8 . 1 1 52 52 GLU HA H 52 5.180 5.180 5.350 -0.170 19684 2663 1 8 . 1 1 52 52 GLU C C 52 175.082 175.082 176.199 -1.117 19684 2664 1 8 . 1 1 52 52 GLU CA C 52 54.693 54.693 55.100 -0.407 19684 2665 1 8 . 1 1 52 52 GLU CB C 52 32.735 32.735 31.821 0.914 19684 2666 1 8 . 1 1 52 52 GLU H H 52 9.144 9.144 8.515 0.629 19684 2667 1 8 . 1 1 53 53 GLY N N 53 106.528 106.528 112.018 -5.490 19684 2668 1 8 . 1 1 53 53 GLY C C 53 170.278 170.278 173.351 -3.073 19684 2669 1 8 . 1 1 53 53 GLY CA C 53 45.500 45.500 44.441 1.059 19684 2670 1 8 . 1 1 53 53 GLY H H 53 8.500 8.500 8.152 0.348 19684 2671 1 8 . 1 1 54 54 THR N N 54 115.540 115.540 122.351 -6.811 19684 2672 1 8 . 1 1 54 54 THR HA H 54 5.334 5.334 4.674 0.660 19684 2673 1 8 . 1 1 54 54 THR C C 54 173.549 173.549 173.679 -0.130 19684 2674 1 8 . 1 1 54 54 THR CA C 54 61.186 61.186 63.160 -1.974 19684 2675 1 8 . 1 1 54 54 THR CB C 54 69.935 69.935 69.587 0.348 19684 2676 1 8 . 1 1 54 54 THR H H 54 9.085 9.085 8.952 0.133 19684 2677 1 8 . 1 1 55 55 LEU N N 55 128.613 128.613 129.949 -1.336 19684 2678 1 8 . 1 1 55 55 LEU HA H 55 4.842 4.842 4.768 0.074 19684 2679 1 8 . 1 1 55 55 LEU C C 55 176.045 176.045 176.344 -0.299 19684 2680 1 8 . 1 1 55 55 LEU CA C 55 53.387 53.387 53.244 0.143 19684 2681 1 8 . 1 1 55 55 LEU CB C 55 45.579 45.579 44.172 1.407 19684 2682 1 8 . 1 1 55 55 LEU H H 55 9.368 9.368 8.457 0.911 19684 2683 1 8 . 1 1 56 56 ASN N N 56 128.674 128.674 123.601 5.073 19684 2684 1 8 . 1 1 56 56 ASN HA H 56 4.403 4.403 4.432 -0.029 19684 2685 1 8 . 1 1 56 56 ASN C C 56 175.457 175.457 175.788 -0.331 19684 2686 1 8 . 1 1 56 56 ASN CA C 56 54.126 54.126 55.729 -1.603 19684 2687 1 8 . 1 1 56 56 ASN CB C 56 37.291 37.291 37.436 -0.145 19684 2688 1 8 . 1 1 56 56 ASN H H 56 9.670 9.670 9.115 0.555 19684 2689 1 8 . 1 1 57 57 GLY N N 57 102.683 102.683 109.165 -6.482 19684 2690 1 8 . 1 1 57 57 GLY C C 57 173.175 173.175 172.475 0.700 19684 2691 1 8 . 1 1 57 57 GLY CA C 57 45.263 45.263 45.269 -0.006 19684 2692 1 8 . 1 1 57 57 GLY H H 57 8.441 8.441 8.404 0.037 19684 2693 1 8 . 1 1 58 58 LYS N N 58 122.749 122.749 121.654 1.095 19684 2694 1 8 . 1 1 58 58 LYS HA H 58 4.621 4.621 4.622 -0.001 19684 2695 1 8 . 1 1 58 58 LYS C C 58 173.237 173.237 175.115 -1.878 19684 2696 1 8 . 1 1 58 58 LYS CA C 58 54.962 54.962 55.263 -0.301 19684 2697 1 8 . 1 1 58 58 LYS CB C 58 34.303 34.303 35.087 -0.784 19684 2698 1 8 . 1 1 58 58 LYS H H 58 7.847 7.847 7.690 0.157 19684 2699 1 8 . 1 1 59 59 ARG N N 59 127.435 127.435 128.496 -1.061 19684 2700 1 8 . 1 1 59 59 ARG HA H 59 5.417 5.417 4.932 0.485 19684 2701 1 8 . 1 1 59 59 ARG C C 59 176.486 176.486 175.631 0.855 19684 2702 1 8 . 1 1 59 59 ARG CA C 59 54.079 54.079 55.843 -1.764 19684 2703 1 8 . 1 1 59 59 ARG CB C 59 31.815 31.815 31.810 0.005 19684 2704 1 8 . 1 1 59 59 ARG H H 59 8.741 8.741 8.740 0.001 19684 2705 1 8 . 1 1 60 60 GLY N N 60 112.447 112.447 110.480 1.967 19684 2706 1 8 . 1 1 60 60 GLY C C 60 170.709 170.709 172.581 -1.872 19684 2707 1 8 . 1 1 60 60 GLY CA C 60 45.648 45.648 44.827 0.821 19684 2708 1 8 . 1 1 60 60 GLY H H 60 8.745 8.745 7.876 0.869 19684 2709 1 8 . 1 1 61 61 LEU N N 61 117.631 117.631 121.670 -4.039 19684 2710 1 8 . 1 1 61 61 LEU HA H 61 5.330 5.330 4.842 0.488 19684 2711 1 8 . 1 1 61 61 LEU C C 61 178.461 178.461 176.395 2.066 19684 2712 1 8 . 1 1 61 61 LEU CA C 61 54.784 54.784 55.330 -0.546 19684 2713 1 8 . 1 1 61 61 LEU CB C 61 44.075 44.075 42.537 1.538 19684 2714 1 8 . 1 1 61 61 LEU H H 61 8.527 8.527 8.037 0.490 19684 2715 1 8 . 1 1 62 62 ILE N N 62 121.463 121.463 124.219 -2.756 19684 2716 1 8 . 1 1 62 62 ILE HA H 62 4.899 4.899 4.835 0.064 19684 2717 1 8 . 1 1 62 62 ILE C C 62 172.776 172.776 173.456 -0.680 19684 2718 1 8 . 1 1 62 62 ILE CA C 62 58.089 58.089 58.119 -0.030 19684 2719 1 8 . 1 1 62 62 ILE CB C 62 43.821 43.821 40.948 2.873 19684 2720 1 8 . 1 1 62 62 ILE H H 62 9.387 9.387 9.191 0.196 19684 2721 1 8 . 1 1 63 63 PRO HA H 63 3.610 3.610 3.890 -0.280 19684 2722 1 8 . 1 1 63 63 PRO C C 63 179.007 179.007 177.494 1.513 19684 2723 1 8 . 1 1 63 63 PRO CA C 63 62.475 62.475 62.072 0.403 19684 2724 1 8 . 1 1 63 63 PRO CB C 63 30.637 30.637 30.782 -0.145 19684 2725 1 8 . 1 1 64 64 GLN N N 64 124.254 124.254 126.048 -1.794 19684 2726 1 8 . 1 1 64 64 GLN HA H 64 3.624 3.624 3.846 -0.222 19684 2727 1 8 . 1 1 64 64 GLN C C 64 176.210 176.210 177.752 -1.542 19684 2728 1 8 . 1 1 64 64 GLN CA C 64 58.984 58.984 58.670 0.314 19684 2729 1 8 . 1 1 64 64 GLN CB C 64 28.212 28.212 27.815 0.397 19684 2730 1 8 . 1 1 64 64 GLN H H 64 8.045 8.045 8.072 -0.027 19684 2731 1 8 . 1 1 65 65 ASN N N 65 111.289 111.289 117.599 -6.310 19684 2732 1 8 . 1 1 65 65 ASN HA H 65 4.722 4.722 4.607 0.115 19684 2733 1 8 . 1 1 65 65 ASN C C 65 175.720 175.720 176.570 -0.850 19684 2734 1 8 . 1 1 65 65 ASN CA C 65 53.734 53.734 55.318 -1.584 19684 2735 1 8 . 1 1 65 65 ASN CB C 65 36.735 36.735 38.205 -1.470 19684 2736 1 8 . 1 1 65 65 ASN H H 65 8.543 8.543 8.272 0.271 19684 2737 1 8 . 1 1 66 66 TYR N N 66 118.333 118.333 115.903 2.430 19684 2738 1 8 . 1 1 66 66 TYR HA H 66 4.906 4.906 4.954 -0.048 19684 2739 1 8 . 1 1 66 66 TYR C C 66 175.641 175.641 174.936 0.705 19684 2740 1 8 . 1 1 66 66 TYR CA C 66 57.121 57.121 56.681 0.440 19684 2741 1 8 . 1 1 66 66 TYR CB C 66 37.682 37.682 38.781 -1.099 19684 2742 1 8 . 1 1 66 66 TYR H H 66 7.919 7.919 7.770 0.149 19684 2743 1 8 . 1 1 67 67 VAL N N 67 108.796 108.796 110.414 -1.618 19684 2744 1 8 . 1 1 67 67 VAL HA H 67 5.441 5.441 5.073 0.368 19684 2745 1 8 . 1 1 67 67 VAL C C 67 173.714 173.714 174.755 -1.041 19684 2746 1 8 . 1 1 67 67 VAL CA C 67 57.990 57.990 58.985 -0.995 19684 2747 1 8 . 1 1 67 67 VAL CB C 67 35.467 35.467 35.266 0.201 19684 2748 1 8 . 1 1 67 67 VAL H H 67 7.341 7.341 7.268 0.073 19684 2749 1 8 . 1 1 68 68 LYS N N 68 120.974 120.974 124.845 -3.871 19684 2750 1 8 . 1 1 68 68 LYS HA H 68 4.692 4.692 4.632 0.060 19684 2751 1 8 . 1 1 68 68 LYS C C 68 175.962 175.962 175.653 0.309 19684 2752 1 8 . 1 1 68 68 LYS CA C 68 54.108 54.108 54.417 -0.309 19684 2753 1 8 . 1 1 68 68 LYS CB C 68 35.051 35.051 34.516 0.535 19684 2754 1 8 . 1 1 68 68 LYS H H 68 8.907 8.907 8.659 0.248 19684 2755 1 8 . 1 1 69 69 LEU N N 69 126.343 126.343 128.279 -1.936 19684 2756 1 8 . 1 1 69 69 LEU HA H 69 4.392 4.392 4.365 0.027 19684 2757 1 8 . 1 1 69 69 LEU C C 69 176.293 176.293 177.135 -0.842 19684 2758 1 8 . 1 1 69 69 LEU CA C 69 55.627 55.627 55.061 0.566 19684 2759 1 8 . 1 1 69 69 LEU CB C 69 41.278 41.278 41.171 0.107 19684 2760 1 8 . 1 1 69 69 LEU H H 69 8.791 8.791 8.730 0.061 19684 2761 1 9 . 1 1 2 2 GLY N N 2 113.935 113.935 110.576 3.359 19684 2762 1 9 . 1 1 2 2 GLY CA C 2 43.362 43.362 44.666 -1.304 19684 2763 1 9 . 1 1 2 2 GLY H H 2 8.251 8.251 8.681 -0.430 19684 2764 1 9 . 1 1 9 9 SER HA H 9 4.375 4.375 4.461 -0.086 19684 2765 1 9 . 1 1 9 9 SER CA C 9 58.422 58.422 57.907 0.515 19684 2766 1 9 . 1 1 9 9 SER CB C 9 63.552 63.552 64.189 -0.637 19684 2767 1 9 . 1 1 10 10 HIS HA H 10 4.622 4.622 4.833 -0.211 19684 2768 1 9 . 1 1 10 10 HIS C C 10 174.853 174.853 173.491 1.362 19684 2769 1 9 . 1 1 10 10 HIS CA C 10 55.967 55.967 56.093 -0.126 19684 2770 1 9 . 1 1 10 10 HIS CB C 10 30.242 30.242 31.417 -1.175 19684 2771 1 9 . 1 1 11 11 MET N N 11 121.242 121.242 118.530 2.712 19684 2772 1 9 . 1 1 11 11 MET HA H 11 4.432 4.432 4.206 0.226 19684 2773 1 9 . 1 1 11 11 MET C C 11 175.804 175.804 175.422 0.382 19684 2774 1 9 . 1 1 11 11 MET CA C 11 55.487 55.487 55.730 -0.243 19684 2775 1 9 . 1 1 11 11 MET CB C 11 32.712 32.712 31.512 1.200 19684 2776 1 9 . 1 1 11 11 MET H H 11 8.210 8.210 8.715 -0.505 19684 2777 1 9 . 1 1 12 12 ILE N N 12 122.708 122.708 117.030 5.678 19684 2778 1 9 . 1 1 12 12 ILE HA H 12 4.173 4.173 3.964 0.209 19684 2779 1 9 . 1 1 12 12 ILE C C 12 175.916 175.916 175.964 -0.048 19684 2780 1 9 . 1 1 12 12 ILE CA C 12 60.878 60.878 61.130 -0.252 19684 2781 1 9 . 1 1 12 12 ILE CB C 12 38.534 38.534 37.471 1.063 19684 2782 1 9 . 1 1 12 12 ILE H H 12 8.236 8.236 7.943 0.293 19684 2783 1 9 . 1 1 13 13 ARG N N 13 125.079 125.079 123.506 1.573 19684 2784 1 9 . 1 1 13 13 ARG HA H 13 4.472 4.472 4.146 0.326 19684 2785 1 9 . 1 1 13 13 ARG C C 13 175.573 175.573 176.261 -0.688 19684 2786 1 9 . 1 1 13 13 ARG CA C 13 55.645 55.645 56.911 -1.266 19684 2787 1 9 . 1 1 13 13 ARG CB C 13 31.256 31.256 29.008 2.248 19684 2788 1 9 . 1 1 13 13 ARG H H 13 8.386 8.386 7.732 0.654 19684 2789 1 9 . 1 1 14 14 SER N N 14 117.250 117.250 118.243 -0.993 19684 2790 1 9 . 1 1 14 14 SER HA H 14 4.441 4.441 4.254 0.187 19684 2791 1 9 . 1 1 14 14 SER C C 14 174.090 174.090 173.885 0.205 19684 2792 1 9 . 1 1 14 14 SER CA C 14 58.062 58.062 59.071 -1.009 19684 2793 1 9 . 1 1 14 14 SER CB C 14 63.638 63.638 62.858 0.780 19684 2794 1 9 . 1 1 14 14 SER H H 14 8.386 8.386 8.532 -0.146 19684 2795 1 9 . 1 1 15 15 ARG N N 15 123.266 123.266 123.549 -0.283 19684 2796 1 9 . 1 1 15 15 ARG HA H 15 4.651 4.651 4.400 0.251 19684 2797 1 9 . 1 1 15 15 ARG C C 15 174.913 174.913 175.832 -0.919 19684 2798 1 9 . 1 1 15 15 ARG CA C 15 54.960 54.960 54.522 0.438 19684 2799 1 9 . 1 1 15 15 ARG CB C 15 31.574 31.574 31.800 -0.226 19684 2800 1 9 . 1 1 15 15 ARG H H 15 8.721 8.721 8.259 0.462 19684 2801 1 9 . 1 1 16 16 LYS N N 16 120.105 120.105 118.508 1.597 19684 2802 1 9 . 1 1 16 16 LYS HA H 16 5.315 5.315 5.137 0.178 19684 2803 1 9 . 1 1 16 16 LYS C C 16 175.755 175.755 175.429 0.326 19684 2804 1 9 . 1 1 16 16 LYS CA C 16 54.926 54.926 54.944 -0.018 19684 2805 1 9 . 1 1 16 16 LYS CB C 16 36.741 36.741 36.647 0.094 19684 2806 1 9 . 1 1 16 16 LYS H H 16 8.406 8.406 8.365 0.041 19684 2807 1 9 . 1 1 17 17 ALA N N 17 118.564 118.564 120.750 -2.186 19684 2808 1 9 . 1 1 17 17 ALA HA H 17 5.256 5.256 5.065 0.191 19684 2809 1 9 . 1 1 17 17 ALA C C 17 173.884 173.884 174.903 -1.019 19684 2810 1 9 . 1 1 17 17 ALA CA C 17 50.673 50.673 51.110 -0.437 19684 2811 1 9 . 1 1 17 17 ALA CB C 17 23.580 23.580 23.376 0.204 19684 2812 1 9 . 1 1 17 17 ALA H H 17 8.310 8.310 8.698 -0.388 19684 2813 1 9 . 1 1 18 18 ARG N N 18 119.872 119.872 120.270 -0.398 19684 2814 1 9 . 1 1 18 18 ARG HA H 18 5.755 5.755 5.078 0.677 19684 2815 1 9 . 1 1 18 18 ARG C C 18 176.196 176.196 175.045 1.151 19684 2816 1 9 . 1 1 18 18 ARG CA C 18 53.023 53.023 54.679 -1.656 19684 2817 1 9 . 1 1 18 18 ARG CB C 18 34.603 34.603 34.481 0.122 19684 2818 1 9 . 1 1 18 18 ARG H H 18 9.008 9.008 8.401 0.607 19684 2819 1 9 . 1 1 19 19 ALA N N 19 127.577 127.577 129.806 -2.229 19684 2820 1 9 . 1 1 19 19 ALA HA H 19 4.828 4.828 4.659 0.169 19684 2821 1 9 . 1 1 19 19 ALA C C 19 178.887 178.887 177.554 1.333 19684 2822 1 9 . 1 1 19 19 ALA CA C 19 53.215 53.215 52.762 0.453 19684 2823 1 9 . 1 1 19 19 ALA CB C 19 21.164 21.164 19.234 1.930 19684 2824 1 9 . 1 1 19 19 ALA H H 19 9.456 9.456 8.555 0.901 19684 2825 1 9 . 1 1 20 20 VAL N N 20 120.989 120.989 122.335 -1.346 19684 2826 1 9 . 1 1 20 20 VAL HA H 20 4.233 4.233 4.246 -0.013 19684 2827 1 9 . 1 1 20 20 VAL C C 20 173.478 173.478 175.120 -1.642 19684 2828 1 9 . 1 1 20 20 VAL CA C 20 61.659 61.659 62.945 -1.286 19684 2829 1 9 . 1 1 20 20 VAL CB C 20 32.406 32.406 32.485 -0.079 19684 2830 1 9 . 1 1 20 20 VAL H H 20 9.261 9.261 8.502 0.759 19684 2831 1 9 . 1 1 21 21 TYR N N 21 120.793 120.793 119.919 0.874 19684 2832 1 9 . 1 1 21 21 TYR HA H 21 4.917 4.917 4.923 -0.006 19684 2833 1 9 . 1 1 21 21 TYR C C 21 171.768 171.768 173.345 -1.577 19684 2834 1 9 . 1 1 21 21 TYR CA C 21 54.783 54.783 55.160 -0.377 19684 2835 1 9 . 1 1 21 21 TYR CB C 21 41.028 41.028 40.050 0.978 19684 2836 1 9 . 1 1 21 21 TYR H H 21 7.740 7.740 8.084 -0.344 19684 2837 1 9 . 1 1 22 22 PRO HA H 22 4.569 4.569 4.665 -0.096 19684 2838 1 9 . 1 1 22 22 PRO C C 22 175.447 175.447 175.316 0.131 19684 2839 1 9 . 1 1 22 22 PRO CA C 22 61.784 61.784 62.087 -0.303 19684 2840 1 9 . 1 1 22 22 PRO CB C 22 32.301 32.301 32.867 -0.566 19684 2841 1 9 . 1 1 23 23 CYS N N 23 117.584 117.584 119.634 -2.050 19684 2842 1 9 . 1 1 23 23 CYS HA H 23 4.369 4.369 4.581 -0.212 19684 2843 1 9 . 1 1 23 23 CYS C C 23 173.409 173.409 172.797 0.612 19684 2844 1 9 . 1 1 23 23 CYS CA C 23 58.325 58.325 57.705 0.620 19684 2845 1 9 . 1 1 23 23 CYS CB C 23 30.008 30.008 30.637 -0.628 19684 2846 1 9 . 1 1 23 23 CYS H H 23 8.265 8.265 8.492 -0.227 19684 2847 1 9 . 1 1 24 24 GLU N N 24 131.184 131.184 126.855 4.329 19684 2848 1 9 . 1 1 24 24 GLU HA H 24 4.539 4.539 4.577 -0.038 19684 2849 1 9 . 1 1 24 24 GLU C C 24 174.814 174.814 174.952 -0.138 19684 2850 1 9 . 1 1 24 24 GLU CA C 24 54.416 54.416 54.826 -0.410 19684 2851 1 9 . 1 1 24 24 GLU CB C 24 30.172 30.172 30.568 -0.396 19684 2852 1 9 . 1 1 24 24 GLU H H 24 8.594 8.594 8.557 0.037 19684 2853 1 9 . 1 1 25 25 ALA N N 25 128.937 128.937 128.247 0.690 19684 2854 1 9 . 1 1 25 25 ALA HA H 25 4.180 4.180 4.523 -0.343 19684 2855 1 9 . 1 1 25 25 ALA C C 25 178.154 178.154 177.601 0.553 19684 2856 1 9 . 1 1 25 25 ALA CA C 25 52.809 52.809 51.834 0.975 19684 2857 1 9 . 1 1 25 25 ALA CB C 25 20.779 20.779 20.193 0.586 19684 2858 1 9 . 1 1 25 25 ALA H H 25 8.555 8.555 8.014 0.541 19684 2859 1 9 . 1 1 26 26 GLU N N 26 119.582 119.582 122.628 -3.046 19684 2860 1 9 . 1 1 26 26 GLU HA H 26 4.268 4.268 4.097 0.171 19684 2861 1 9 . 1 1 26 26 GLU C C 26 175.916 175.916 175.564 0.352 19684 2862 1 9 . 1 1 26 26 GLU CA C 26 56.345 56.345 57.113 -0.768 19684 2863 1 9 . 1 1 26 26 GLU CB C 26 31.091 31.091 29.490 1.601 19684 2864 1 9 . 1 1 26 26 GLU H H 26 8.613 8.613 8.609 0.004 19684 2865 1 9 . 1 1 27 27 HIS N N 27 115.533 115.533 118.555 -3.022 19684 2866 1 9 . 1 1 27 27 HIS C C 27 175.986 175.986 175.159 0.827 19684 2867 1 9 . 1 1 27 27 HIS CA C 27 54.711 54.711 55.966 -1.255 19684 2868 1 9 . 1 1 27 27 HIS CB C 27 32.077 32.077 30.855 1.222 19684 2869 1 9 . 1 1 27 27 HIS H H 27 7.418 7.418 8.136 -0.718 19684 2870 1 9 . 1 1 28 28 SER HA H 28 4.255 4.255 4.400 -0.145 19684 2871 1 9 . 1 1 28 28 SER C C 28 174.619 174.619 175.822 -1.203 19684 2872 1 9 . 1 1 28 28 SER CA C 28 60.985 60.985 60.542 0.443 19684 2873 1 9 . 1 1 28 28 SER CB C 28 62.890 62.890 63.865 -0.975 19684 2874 1 9 . 1 1 29 29 SER N N 29 114.287 114.287 116.830 -2.543 19684 2875 1 9 . 1 1 29 29 SER HA H 29 4.405 4.405 4.236 0.169 19684 2876 1 9 . 1 1 29 29 SER C C 29 174.305 174.305 174.690 -0.385 19684 2877 1 9 . 1 1 29 29 SER CA C 29 58.564 58.564 60.257 -1.693 19684 2878 1 9 . 1 1 29 29 SER CB C 29 62.953 62.953 63.585 -0.632 19684 2879 1 9 . 1 1 29 29 SER H H 29 8.207 8.207 8.551 -0.344 19684 2880 1 9 . 1 1 30 30 GLU N N 30 122.312 122.312 121.912 0.400 19684 2881 1 9 . 1 1 30 30 GLU HA H 30 4.690 4.690 4.525 0.165 19684 2882 1 9 . 1 1 30 30 GLU C C 30 175.373 175.373 175.561 -0.188 19684 2883 1 9 . 1 1 30 30 GLU CA C 30 54.894 54.894 56.535 -1.641 19684 2884 1 9 . 1 1 30 30 GLU CB C 30 31.495 31.495 30.413 1.082 19684 2885 1 9 . 1 1 30 30 GLU H H 30 7.798 7.798 7.857 -0.059 19684 2886 1 9 . 1 1 31 31 LEU N N 31 118.829 118.829 124.465 -5.636 19684 2887 1 9 . 1 1 31 31 LEU HA H 31 4.686 4.686 4.728 -0.042 19684 2888 1 9 . 1 1 31 31 LEU C C 31 177.013 177.013 176.718 0.295 19684 2889 1 9 . 1 1 31 31 LEU CA C 31 54.627 54.627 54.583 0.044 19684 2890 1 9 . 1 1 31 31 LEU CB C 31 43.640 43.640 43.691 -0.052 19684 2891 1 9 . 1 1 31 31 LEU H H 31 8.084 8.084 8.666 -0.582 19684 2892 1 9 . 1 1 32 32 SER N N 32 115.422 115.422 116.026 -0.604 19684 2893 1 9 . 1 1 32 32 SER HA H 32 4.863 4.863 5.091 -0.228 19684 2894 1 9 . 1 1 32 32 SER C C 32 173.966 173.966 173.952 0.014 19684 2895 1 9 . 1 1 32 32 SER CA C 32 57.745 57.745 57.625 0.120 19684 2896 1 9 . 1 1 32 32 SER CB C 32 64.735 64.735 65.343 -0.608 19684 2897 1 9 . 1 1 32 32 SER H H 32 8.054 8.054 8.508 -0.455 19684 2898 1 9 . 1 1 33 33 PHE N N 33 116.920 116.920 120.163 -3.243 19684 2899 1 9 . 1 1 33 33 PHE HA H 33 4.889 4.889 4.908 -0.019 19684 2900 1 9 . 1 1 33 33 PHE C C 33 173.660 173.660 173.187 0.473 19684 2901 1 9 . 1 1 33 33 PHE CA C 33 56.261 56.261 57.236 -0.975 19684 2902 1 9 . 1 1 33 33 PHE CB C 33 39.272 39.272 40.765 -1.493 19684 2903 1 9 . 1 1 33 33 PHE H H 33 8.697 8.697 8.765 -0.068 19684 2904 1 9 . 1 1 34 34 GLU N N 34 119.852 119.852 119.498 0.354 19684 2905 1 9 . 1 1 34 34 GLU HA H 34 4.622 4.622 4.813 -0.191 19684 2906 1 9 . 1 1 34 34 GLU C C 34 176.044 176.044 176.383 -0.339 19684 2907 1 9 . 1 1 34 34 GLU CA C 34 53.759 53.759 54.280 -0.521 19684 2908 1 9 . 1 1 34 34 GLU CB C 34 31.878 31.878 32.258 -0.380 19684 2909 1 9 . 1 1 34 34 GLU H H 34 8.616 8.616 8.856 -0.240 19684 2910 1 9 . 1 1 35 35 ILE N N 35 118.386 118.386 120.535 -2.149 19684 2911 1 9 . 1 1 35 35 ILE HA H 35 3.173 3.173 3.788 -0.615 19684 2912 1 9 . 1 1 35 35 ILE C C 35 177.205 177.205 177.409 -0.204 19684 2913 1 9 . 1 1 35 35 ILE CA C 35 64.926 64.926 63.471 1.455 19684 2914 1 9 . 1 1 35 35 ILE CB C 35 38.013 38.013 36.873 1.140 19684 2915 1 9 . 1 1 35 35 ILE H H 35 8.428 8.428 8.580 -0.152 19684 2916 1 9 . 1 1 36 36 GLY N N 36 114.528 114.528 115.882 -1.354 19684 2917 1 9 . 1 1 36 36 GLY C C 36 173.669 173.669 173.896 -0.227 19684 2918 1 9 . 1 1 36 36 GLY CA C 36 44.601 44.601 44.637 -0.036 19684 2919 1 9 . 1 1 36 36 GLY H H 36 8.568 8.568 8.725 -0.157 19684 2920 1 9 . 1 1 37 37 ALA N N 37 123.910 123.910 125.657 -1.747 19684 2921 1 9 . 1 1 37 37 ALA HA H 37 3.975 3.975 4.149 -0.174 19684 2922 1 9 . 1 1 37 37 ALA C C 37 175.106 175.106 176.011 -0.905 19684 2923 1 9 . 1 1 37 37 ALA CA C 37 53.061 53.061 51.826 1.235 19684 2924 1 9 . 1 1 37 37 ALA CB C 37 19.337 19.337 19.049 0.287 19684 2925 1 9 . 1 1 37 37 ALA H H 37 7.564 7.564 7.663 -0.099 19684 2926 1 9 . 1 1 38 38 ILE N N 38 120.298 120.298 123.832 -3.534 19684 2927 1 9 . 1 1 38 38 ILE HA H 38 4.867 4.867 4.235 0.632 19684 2928 1 9 . 1 1 38 38 ILE C C 38 174.910 174.910 174.997 -0.087 19684 2929 1 9 . 1 1 38 38 ILE CA C 38 58.050 58.050 59.053 -1.003 19684 2930 1 9 . 1 1 38 38 ILE CB C 38 38.080 38.080 37.482 0.598 19684 2931 1 9 . 1 1 38 38 ILE H H 38 7.843 7.843 8.041 -0.198 19684 2932 1 9 . 1 1 39 39 PHE N N 39 124.481 124.481 126.073 -1.592 19684 2933 1 9 . 1 1 39 39 PHE HA H 39 4.889 4.889 5.401 -0.512 19684 2934 1 9 . 1 1 39 39 PHE C C 39 175.106 175.106 175.372 -0.266 19684 2935 1 9 . 1 1 39 39 PHE CA C 39 55.542 55.542 55.634 -0.092 19684 2936 1 9 . 1 1 39 39 PHE CB C 39 42.173 42.173 42.063 0.110 19684 2937 1 9 . 1 1 39 39 PHE H H 39 8.884 8.884 8.638 0.246 19684 2938 1 9 . 1 1 40 40 GLU N N 40 117.747 117.747 120.708 -2.961 19684 2939 1 9 . 1 1 40 40 GLU HA H 40 4.788 4.788 4.757 0.031 19684 2940 1 9 . 1 1 40 40 GLU C C 40 175.797 175.797 176.205 -0.408 19684 2941 1 9 . 1 1 40 40 GLU CA C 40 53.945 53.945 55.304 -1.359 19684 2942 1 9 . 1 1 40 40 GLU CB C 40 32.928 32.928 33.345 -0.417 19684 2943 1 9 . 1 1 40 40 GLU H H 40 9.047 9.047 8.592 0.455 19684 2944 1 9 . 1 1 41 41 ASP N N 41 120.461 120.461 120.384 0.077 19684 2945 1 9 . 1 1 41 41 ASP HA H 41 4.331 4.331 4.286 0.045 19684 2946 1 9 . 1 1 41 41 ASP C C 41 175.720 175.720 175.087 0.633 19684 2947 1 9 . 1 1 41 41 ASP CA C 41 54.842 54.842 55.210 -0.368 19684 2948 1 9 . 1 1 41 41 ASP CB C 41 39.241 39.241 40.066 -0.825 19684 2949 1 9 . 1 1 41 41 ASP H H 41 8.875 8.875 8.495 0.380 19684 2950 1 9 . 1 1 42 42 VAL N N 42 120.471 120.471 118.570 1.901 19684 2951 1 9 . 1 1 42 42 VAL HA H 42 4.788 4.788 4.115 0.673 19684 2952 1 9 . 1 1 42 42 VAL C C 42 176.652 176.652 176.281 0.371 19684 2953 1 9 . 1 1 42 42 VAL CA C 42 62.583 62.583 63.398 -0.815 19684 2954 1 9 . 1 1 42 42 VAL CB C 42 31.408 31.408 31.044 0.364 19684 2955 1 9 . 1 1 42 42 VAL H H 42 8.932 8.932 7.806 1.126 19684 2956 1 9 . 1 1 43 43 GLN N N 43 124.450 124.450 127.014 -2.564 19684 2957 1 9 . 1 1 43 43 GLN HA H 43 4.859 4.859 4.666 0.193 19684 2958 1 9 . 1 1 43 43 GLN C C 43 174.928 174.928 175.439 -0.511 19684 2959 1 9 . 1 1 43 43 GLN CA C 43 53.436 53.436 54.048 -0.612 19684 2960 1 9 . 1 1 43 43 GLN CB C 43 33.482 33.482 32.689 0.793 19684 2961 1 9 . 1 1 43 43 GLN H H 43 9.057 9.057 8.934 0.123 19684 2962 1 9 . 1 1 44 44 THR N N 44 116.345 116.345 116.725 -0.380 19684 2963 1 9 . 1 1 44 44 THR HA H 44 4.149 4.149 4.451 -0.302 19684 2964 1 9 . 1 1 44 44 THR C C 44 174.138 174.138 174.222 -0.084 19684 2965 1 9 . 1 1 44 44 THR CA C 44 64.288 64.288 62.369 1.919 19684 2966 1 9 . 1 1 44 44 THR CB C 44 69.164 69.164 69.309 -0.145 19684 2967 1 9 . 1 1 44 44 THR H H 44 8.640 8.640 8.418 0.222 19684 2968 1 9 . 1 1 45 45 SER N N 45 119.635 119.635 120.791 -1.156 19684 2969 1 9 . 1 1 45 45 SER HA H 45 4.670 4.670 4.798 -0.128 19684 2970 1 9 . 1 1 45 45 SER C C 45 174.304 174.304 174.531 -0.227 19684 2971 1 9 . 1 1 45 45 SER CA C 45 57.064 57.064 57.597 -0.533 19684 2972 1 9 . 1 1 45 45 SER CB C 45 65.275 65.275 64.427 0.849 19684 2973 1 9 . 1 1 45 45 SER H H 45 7.971 7.971 8.298 -0.327 19684 2974 1 9 . 1 1 46 46 ARG N N 46 120.482 120.482 119.898 0.584 19684 2975 1 9 . 1 1 46 46 ARG HA H 46 4.170 4.170 4.243 -0.073 19684 2976 1 9 . 1 1 46 46 ARG C C 46 176.486 176.486 176.191 0.295 19684 2977 1 9 . 1 1 46 46 ARG CA C 46 57.675 57.675 57.355 0.320 19684 2978 1 9 . 1 1 46 46 ARG CB C 46 30.019 30.019 30.185 -0.166 19684 2979 1 9 . 1 1 46 46 ARG H H 46 8.491 8.491 8.613 -0.122 19684 2980 1 9 . 1 1 47 47 GLU N N 47 121.489 121.489 122.333 -0.844 19684 2981 1 9 . 1 1 47 47 GLU HA H 47 4.820 4.820 4.535 0.285 19684 2982 1 9 . 1 1 47 47 GLU C C 47 173.926 173.926 174.697 -0.771 19684 2983 1 9 . 1 1 47 47 GLU CA C 47 52.716 52.716 54.020 -1.304 19684 2984 1 9 . 1 1 47 47 GLU CB C 47 30.039 30.039 28.889 1.151 19684 2985 1 9 . 1 1 47 47 GLU H H 47 8.530 8.530 8.293 0.237 19684 2986 1 9 . 1 1 48 48 PRO HA H 48 4.363 4.363 4.562 -0.199 19684 2987 1 9 . 1 1 48 48 PRO C C 48 177.954 177.954 177.176 0.778 19684 2988 1 9 . 1 1 48 48 PRO CA C 48 63.672 63.672 64.174 -0.501 19684 2989 1 9 . 1 1 48 48 PRO CB C 48 31.798 31.798 31.844 -0.046 19684 2990 1 9 . 1 1 49 49 GLY N N 49 110.220 110.220 110.809 -0.589 19684 2991 1 9 . 1 1 49 49 GLY C C 49 174.196 174.196 173.775 0.421 19684 2992 1 9 . 1 1 49 49 GLY CA C 49 44.965 44.965 44.860 0.105 19684 2993 1 9 . 1 1 49 49 GLY H H 49 8.660 8.660 8.620 0.040 19684 2994 1 9 . 1 1 50 50 TRP N N 50 120.527 120.527 120.482 0.045 19684 2995 1 9 . 1 1 50 50 TRP HA H 50 5.098 5.098 5.391 -0.293 19684 2996 1 9 . 1 1 50 50 TRP C C 50 175.686 175.686 175.275 0.411 19684 2997 1 9 . 1 1 50 50 TRP CA C 50 56.460 56.460 56.366 0.094 19684 2998 1 9 . 1 1 50 50 TRP CB C 50 31.745 31.745 31.630 0.115 19684 2999 1 9 . 1 1 50 50 TRP H H 50 8.025 8.025 7.854 0.171 19684 3000 1 9 . 1 1 51 51 LEU N N 51 123.575 123.575 119.985 3.590 19684 3001 1 9 . 1 1 51 51 LEU HA H 51 4.966 4.966 5.065 -0.099 19684 3002 1 9 . 1 1 51 51 LEU C C 51 175.162 175.162 175.759 -0.597 19684 3003 1 9 . 1 1 51 51 LEU CA C 51 52.643 52.643 53.195 -0.552 19684 3004 1 9 . 1 1 51 51 LEU CB C 51 44.214 44.214 46.284 -2.070 19684 3005 1 9 . 1 1 51 51 LEU H H 51 9.635 9.635 9.027 0.608 19684 3006 1 9 . 1 1 52 52 GLU N N 52 119.825 119.825 120.866 -1.041 19684 3007 1 9 . 1 1 52 52 GLU HA H 52 5.180 5.180 5.223 -0.043 19684 3008 1 9 . 1 1 52 52 GLU C C 52 175.082 175.082 176.266 -1.184 19684 3009 1 9 . 1 1 52 52 GLU CA C 52 54.693 54.693 54.519 0.174 19684 3010 1 9 . 1 1 52 52 GLU CB C 52 32.735 32.735 31.425 1.310 19684 3011 1 9 . 1 1 52 52 GLU H H 52 9.144 9.144 8.435 0.709 19684 3012 1 9 . 1 1 53 53 GLY N N 53 106.528 106.528 112.091 -5.563 19684 3013 1 9 . 1 1 53 53 GLY C C 53 170.278 170.278 172.980 -2.702 19684 3014 1 9 . 1 1 53 53 GLY CA C 53 45.500 45.500 45.044 0.456 19684 3015 1 9 . 1 1 53 53 GLY H H 53 8.500 8.500 8.173 0.327 19684 3016 1 9 . 1 1 54 54 THR N N 54 115.540 115.540 119.071 -3.531 19684 3017 1 9 . 1 1 54 54 THR HA H 54 5.334 5.334 4.647 0.687 19684 3018 1 9 . 1 1 54 54 THR C C 54 173.549 173.549 173.252 0.297 19684 3019 1 9 . 1 1 54 54 THR CA C 54 61.186 61.186 62.546 -1.360 19684 3020 1 9 . 1 1 54 54 THR CB C 54 69.935 69.935 69.882 0.053 19684 3021 1 9 . 1 1 54 54 THR H H 54 9.085 9.085 8.710 0.375 19684 3022 1 9 . 1 1 55 55 LEU N N 55 128.613 128.613 130.320 -1.707 19684 3023 1 9 . 1 1 55 55 LEU HA H 55 4.842 4.842 4.852 -0.010 19684 3024 1 9 . 1 1 55 55 LEU C C 55 176.045 176.045 176.079 -0.034 19684 3025 1 9 . 1 1 55 55 LEU CA C 55 53.387 53.387 53.468 -0.081 19684 3026 1 9 . 1 1 55 55 LEU CB C 55 45.579 45.579 43.906 1.673 19684 3027 1 9 . 1 1 55 55 LEU H H 55 9.368 9.368 8.756 0.612 19684 3028 1 9 . 1 1 56 56 ASN N N 56 128.674 128.674 124.035 4.639 19684 3029 1 9 . 1 1 56 56 ASN HA H 56 4.403 4.403 4.382 0.021 19684 3030 1 9 . 1 1 56 56 ASN C C 56 175.457 175.457 175.318 0.139 19684 3031 1 9 . 1 1 56 56 ASN CA C 56 54.126 54.126 54.611 -0.485 19684 3032 1 9 . 1 1 56 56 ASN CB C 56 37.291 37.291 37.406 -0.115 19684 3033 1 9 . 1 1 56 56 ASN H H 56 9.670 9.670 9.448 0.222 19684 3034 1 9 . 1 1 57 57 GLY N N 57 102.683 102.683 104.510 -1.827 19684 3035 1 9 . 1 1 57 57 GLY C C 57 173.175 173.175 173.470 -0.295 19684 3036 1 9 . 1 1 57 57 GLY CA C 57 45.263 45.263 44.904 0.359 19684 3037 1 9 . 1 1 57 57 GLY H H 57 8.441 8.441 8.261 0.180 19684 3038 1 9 . 1 1 58 58 LYS N N 58 122.749 122.749 123.943 -1.194 19684 3039 1 9 . 1 1 58 58 LYS HA H 58 4.621 4.621 4.465 0.156 19684 3040 1 9 . 1 1 58 58 LYS C C 58 173.237 173.237 175.237 -2.000 19684 3041 1 9 . 1 1 58 58 LYS CA C 58 54.962 54.962 55.408 -0.446 19684 3042 1 9 . 1 1 58 58 LYS CB C 58 34.303 34.303 33.351 0.952 19684 3043 1 9 . 1 1 58 58 LYS H H 58 7.847 7.847 8.013 -0.166 19684 3044 1 9 . 1 1 59 59 ARG N N 59 127.435 127.435 128.352 -0.917 19684 3045 1 9 . 1 1 59 59 ARG HA H 59 5.417 5.417 5.349 0.068 19684 3046 1 9 . 1 1 59 59 ARG C C 59 176.486 176.486 175.398 1.088 19684 3047 1 9 . 1 1 59 59 ARG CA C 59 54.079 54.079 55.112 -1.033 19684 3048 1 9 . 1 1 59 59 ARG CB C 59 31.815 31.815 32.796 -0.981 19684 3049 1 9 . 1 1 59 59 ARG H H 59 8.741 8.741 8.698 0.043 19684 3050 1 9 . 1 1 60 60 GLY N N 60 112.447 112.447 111.630 0.817 19684 3051 1 9 . 1 1 60 60 GLY C C 60 170.709 170.709 172.530 -1.821 19684 3052 1 9 . 1 1 60 60 GLY CA C 60 45.648 45.648 45.144 0.504 19684 3053 1 9 . 1 1 60 60 GLY H H 60 8.745 8.745 8.093 0.652 19684 3054 1 9 . 1 1 61 61 LEU N N 61 117.631 117.631 122.405 -4.774 19684 3055 1 9 . 1 1 61 61 LEU HA H 61 5.330 5.330 4.734 0.596 19684 3056 1 9 . 1 1 61 61 LEU C C 61 178.461 178.461 176.359 2.102 19684 3057 1 9 . 1 1 61 61 LEU CA C 61 54.784 54.784 55.778 -0.994 19684 3058 1 9 . 1 1 61 61 LEU CB C 61 44.075 44.075 42.315 1.760 19684 3059 1 9 . 1 1 61 61 LEU H H 61 8.527 8.527 8.040 0.487 19684 3060 1 9 . 1 1 62 62 ILE N N 62 121.463 121.463 124.759 -3.296 19684 3061 1 9 . 1 1 62 62 ILE HA H 62 4.899 4.899 4.789 0.110 19684 3062 1 9 . 1 1 62 62 ILE C C 62 172.776 172.776 173.533 -0.757 19684 3063 1 9 . 1 1 62 62 ILE CA C 62 58.089 58.089 57.995 0.094 19684 3064 1 9 . 1 1 62 62 ILE CB C 62 43.821 43.821 40.708 3.113 19684 3065 1 9 . 1 1 62 62 ILE H H 62 9.387 9.387 9.197 0.190 19684 3066 1 9 . 1 1 63 63 PRO HA H 63 3.610 3.610 3.636 -0.026 19684 3067 1 9 . 1 1 63 63 PRO C C 63 179.007 179.007 176.986 2.021 19684 3068 1 9 . 1 1 63 63 PRO CA C 63 62.475 62.475 62.252 0.223 19684 3069 1 9 . 1 1 63 63 PRO CB C 63 30.637 30.637 30.687 -0.050 19684 3070 1 9 . 1 1 64 64 GLN N N 64 124.254 124.254 127.173 -2.919 19684 3071 1 9 . 1 1 64 64 GLN HA H 64 3.624 3.624 3.770 -0.146 19684 3072 1 9 . 1 1 64 64 GLN C C 64 176.210 176.210 177.639 -1.429 19684 3073 1 9 . 1 1 64 64 GLN CA C 64 58.984 58.984 59.263 -0.279 19684 3074 1 9 . 1 1 64 64 GLN CB C 64 28.212 28.212 28.468 -0.257 19684 3075 1 9 . 1 1 64 64 GLN H H 64 8.045 8.045 7.824 0.221 19684 3076 1 9 . 1 1 65 65 ASN N N 65 111.289 111.289 117.225 -5.936 19684 3077 1 9 . 1 1 65 65 ASN HA H 65 4.722 4.722 4.575 0.147 19684 3078 1 9 . 1 1 65 65 ASN C C 65 175.720 175.720 176.800 -1.080 19684 3079 1 9 . 1 1 65 65 ASN CA C 65 53.734 53.734 55.379 -1.645 19684 3080 1 9 . 1 1 65 65 ASN CB C 65 36.735 36.735 38.124 -1.389 19684 3081 1 9 . 1 1 65 65 ASN H H 65 8.543 8.543 8.420 0.123 19684 3082 1 9 . 1 1 66 66 TYR N N 66 118.333 118.333 115.403 2.930 19684 3083 1 9 . 1 1 66 66 TYR HA H 66 4.906 4.906 4.967 -0.061 19684 3084 1 9 . 1 1 66 66 TYR C C 66 175.641 175.641 175.229 0.412 19684 3085 1 9 . 1 1 66 66 TYR CA C 66 57.121 57.121 56.093 1.028 19684 3086 1 9 . 1 1 66 66 TYR CB C 66 37.682 37.682 38.493 -0.811 19684 3087 1 9 . 1 1 66 66 TYR H H 66 7.919 7.919 7.597 0.322 19684 3088 1 9 . 1 1 67 67 VAL N N 67 108.796 108.796 112.083 -3.287 19684 3089 1 9 . 1 1 67 67 VAL HA H 67 5.441 5.441 5.040 0.401 19684 3090 1 9 . 1 1 67 67 VAL C C 67 173.714 173.714 175.050 -1.336 19684 3091 1 9 . 1 1 67 67 VAL CA C 67 57.990 57.990 58.704 -0.714 19684 3092 1 9 . 1 1 67 67 VAL CB C 67 35.467 35.467 35.577 -0.110 19684 3093 1 9 . 1 1 67 67 VAL H H 67 7.341 7.341 7.290 0.051 19684 3094 1 9 . 1 1 68 68 LYS N N 68 120.974 120.974 122.019 -1.045 19684 3095 1 9 . 1 1 68 68 LYS HA H 68 4.692 4.692 4.622 0.070 19684 3096 1 9 . 1 1 68 68 LYS C C 68 175.962 175.962 175.769 0.193 19684 3097 1 9 . 1 1 68 68 LYS CA C 68 54.108 54.108 54.556 -0.448 19684 3098 1 9 . 1 1 68 68 LYS CB C 68 35.051 35.051 35.287 -0.236 19684 3099 1 9 . 1 1 68 68 LYS H H 68 8.907 8.907 8.327 0.580 19684 3100 1 9 . 1 1 69 69 LEU N N 69 126.343 126.343 128.146 -1.803 19684 3101 1 9 . 1 1 69 69 LEU HA H 69 4.392 4.392 4.424 -0.032 19684 3102 1 9 . 1 1 69 69 LEU C C 69 176.293 176.293 177.230 -0.937 19684 3103 1 9 . 1 1 69 69 LEU CA C 69 55.627 55.627 55.493 0.134 19684 3104 1 9 . 1 1 69 69 LEU CB C 69 41.278 41.278 41.200 0.078 19684 3105 1 9 . 1 1 69 69 LEU H H 69 8.791 8.791 8.667 0.124 19684 3106 1 10 . 1 1 2 2 GLY N N 2 113.935 113.935 107.531 6.404 19684 3107 1 10 . 1 1 2 2 GLY CA C 2 43.362 43.362 45.556 -2.194 19684 3108 1 10 . 1 1 2 2 GLY H H 2 8.251 8.251 8.254 -0.003 19684 3109 1 10 . 1 1 9 9 SER HA H 9 4.375 4.375 4.376 -0.001 19684 3110 1 10 . 1 1 9 9 SER CA C 9 58.422 58.422 58.881 -0.459 19684 3111 1 10 . 1 1 9 9 SER CB C 9 63.552 63.552 62.648 0.904 19684 3112 1 10 . 1 1 10 10 HIS HA H 10 4.622 4.622 4.799 -0.177 19684 3113 1 10 . 1 1 10 10 HIS C C 10 174.853 174.853 173.886 0.967 19684 3114 1 10 . 1 1 10 10 HIS CA C 10 55.967 55.967 54.797 1.170 19684 3115 1 10 . 1 1 10 10 HIS CB C 10 30.242 30.242 29.877 0.365 19684 3116 1 10 . 1 1 11 11 MET N N 11 121.242 121.242 121.337 -0.095 19684 3117 1 10 . 1 1 11 11 MET HA H 11 4.432 4.432 4.396 0.036 19684 3118 1 10 . 1 1 11 11 MET C C 11 175.804 175.804 177.288 -1.484 19684 3119 1 10 . 1 1 11 11 MET CA C 11 55.487 55.487 53.412 2.075 19684 3120 1 10 . 1 1 11 11 MET CB C 11 32.712 32.712 33.091 -0.379 19684 3121 1 10 . 1 1 11 11 MET H H 11 8.210 8.210 8.139 0.071 19684 3122 1 10 . 1 1 12 12 ILE N N 12 122.708 122.708 122.826 -0.118 19684 3123 1 10 . 1 1 12 12 ILE HA H 12 4.173 4.173 4.020 0.153 19684 3124 1 10 . 1 1 12 12 ILE C C 12 175.916 175.916 174.949 0.967 19684 3125 1 10 . 1 1 12 12 ILE CA C 12 60.878 60.878 61.061 -0.183 19684 3126 1 10 . 1 1 12 12 ILE CB C 12 38.534 38.534 34.732 3.802 19684 3127 1 10 . 1 1 12 12 ILE H H 12 8.236 8.236 8.267 -0.031 19684 3128 1 10 . 1 1 13 13 ARG N N 13 125.079 125.079 125.553 -0.474 19684 3129 1 10 . 1 1 13 13 ARG HA H 13 4.472 4.472 4.602 -0.130 19684 3130 1 10 . 1 1 13 13 ARG C C 13 175.573 175.573 176.236 -0.663 19684 3131 1 10 . 1 1 13 13 ARG CA C 13 55.645 55.645 55.627 0.018 19684 3132 1 10 . 1 1 13 13 ARG CB C 13 31.256 31.256 31.543 -0.287 19684 3133 1 10 . 1 1 13 13 ARG H H 13 8.386 8.386 7.897 0.489 19684 3134 1 10 . 1 1 14 14 SER N N 14 117.250 117.250 114.579 2.671 19684 3135 1 10 . 1 1 14 14 SER HA H 14 4.441 4.441 4.334 0.107 19684 3136 1 10 . 1 1 14 14 SER C C 14 174.090 174.090 174.705 -0.615 19684 3137 1 10 . 1 1 14 14 SER CA C 14 58.062 58.062 59.023 -0.961 19684 3138 1 10 . 1 1 14 14 SER CB C 14 63.638 63.638 62.326 1.312 19684 3139 1 10 . 1 1 14 14 SER H H 14 8.386 8.386 8.586 -0.200 19684 3140 1 10 . 1 1 15 15 ARG N N 15 123.266 123.266 123.300 -0.034 19684 3141 1 10 . 1 1 15 15 ARG HA H 15 4.651 4.651 4.373 0.278 19684 3142 1 10 . 1 1 15 15 ARG C C 15 174.913 174.913 176.075 -1.162 19684 3143 1 10 . 1 1 15 15 ARG CA C 15 54.960 54.960 55.306 -0.346 19684 3144 1 10 . 1 1 15 15 ARG CB C 15 31.574 31.574 31.260 0.314 19684 3145 1 10 . 1 1 15 15 ARG H H 15 8.721 8.721 8.485 0.236 19684 3146 1 10 . 1 1 16 16 LYS N N 16 120.105 120.105 119.493 0.612 19684 3147 1 10 . 1 1 16 16 LYS HA H 16 5.315 5.315 5.551 -0.236 19684 3148 1 10 . 1 1 16 16 LYS C C 16 175.755 175.755 176.283 -0.528 19684 3149 1 10 . 1 1 16 16 LYS CA C 16 54.926 54.926 54.828 0.098 19684 3150 1 10 . 1 1 16 16 LYS CB C 16 36.741 36.741 36.017 0.724 19684 3151 1 10 . 1 1 16 16 LYS H H 16 8.406 8.406 8.417 -0.011 19684 3152 1 10 . 1 1 17 17 ALA N N 17 118.564 118.564 121.855 -3.291 19684 3153 1 10 . 1 1 17 17 ALA HA H 17 5.256 5.256 4.987 0.269 19684 3154 1 10 . 1 1 17 17 ALA C C 17 173.884 173.884 174.995 -1.111 19684 3155 1 10 . 1 1 17 17 ALA CA C 17 50.673 50.673 51.405 -0.732 19684 3156 1 10 . 1 1 17 17 ALA CB C 17 23.580 23.580 23.080 0.500 19684 3157 1 10 . 1 1 17 17 ALA H H 17 8.310 8.310 8.310 0.000 19684 3158 1 10 . 1 1 18 18 ARG N N 18 119.872 119.872 123.638 -3.766 19684 3159 1 10 . 1 1 18 18 ARG HA H 18 5.755 5.755 4.941 0.814 19684 3160 1 10 . 1 1 18 18 ARG C C 18 176.196 176.196 175.619 0.577 19684 3161 1 10 . 1 1 18 18 ARG CA C 18 53.023 53.023 53.744 -0.721 19684 3162 1 10 . 1 1 18 18 ARG CB C 18 34.603 34.603 33.260 1.343 19684 3163 1 10 . 1 1 18 18 ARG H H 18 9.008 9.008 8.718 0.290 19684 3164 1 10 . 1 1 19 19 ALA N N 19 127.577 127.577 130.602 -3.025 19684 3165 1 10 . 1 1 19 19 ALA HA H 19 4.828 4.828 4.525 0.303 19684 3166 1 10 . 1 1 19 19 ALA C C 19 178.887 178.887 177.464 1.423 19684 3167 1 10 . 1 1 19 19 ALA CA C 19 53.215 53.215 52.753 0.462 19684 3168 1 10 . 1 1 19 19 ALA CB C 19 21.164 21.164 19.153 2.011 19684 3169 1 10 . 1 1 19 19 ALA H H 19 9.456 9.456 8.595 0.861 19684 3170 1 10 . 1 1 20 20 VAL N N 20 120.989 120.989 120.460 0.529 19684 3171 1 10 . 1 1 20 20 VAL HA H 20 4.233 4.233 4.332 -0.099 19684 3172 1 10 . 1 1 20 20 VAL C C 20 173.478 173.478 174.891 -1.413 19684 3173 1 10 . 1 1 20 20 VAL CA C 20 61.659 61.659 62.132 -0.473 19684 3174 1 10 . 1 1 20 20 VAL CB C 20 32.406 32.406 32.370 0.036 19684 3175 1 10 . 1 1 20 20 VAL H H 20 9.261 9.261 8.529 0.732 19684 3176 1 10 . 1 1 21 21 TYR N N 21 120.793 120.793 120.413 0.380 19684 3177 1 10 . 1 1 21 21 TYR HA H 21 4.917 4.917 4.841 0.076 19684 3178 1 10 . 1 1 21 21 TYR C C 21 171.768 171.768 173.649 -1.881 19684 3179 1 10 . 1 1 21 21 TYR CA C 21 54.783 54.783 55.438 -0.655 19684 3180 1 10 . 1 1 21 21 TYR CB C 21 41.028 41.028 40.139 0.889 19684 3181 1 10 . 1 1 21 21 TYR H H 21 7.740 7.740 8.056 -0.316 19684 3182 1 10 . 1 1 22 22 PRO HA H 22 4.569 4.569 4.578 -0.009 19684 3183 1 10 . 1 1 22 22 PRO C C 22 175.447 175.447 175.068 0.379 19684 3184 1 10 . 1 1 22 22 PRO CA C 22 61.784 61.784 62.472 -0.688 19684 3185 1 10 . 1 1 22 22 PRO CB C 22 32.301 32.301 32.965 -0.664 19684 3186 1 10 . 1 1 23 23 CYS N N 23 117.584 117.584 118.882 -1.298 19684 3187 1 10 . 1 1 23 23 CYS HA H 23 4.369 4.369 4.648 -0.279 19684 3188 1 10 . 1 1 23 23 CYS C C 23 173.409 173.409 173.382 0.027 19684 3189 1 10 . 1 1 23 23 CYS CA C 23 58.325 58.325 56.676 1.649 19684 3190 1 10 . 1 1 23 23 CYS CB C 23 30.008 30.008 30.595 -0.587 19684 3191 1 10 . 1 1 23 23 CYS H H 23 8.265 8.265 8.276 -0.011 19684 3192 1 10 . 1 1 24 24 GLU N N 24 131.184 131.184 124.101 7.083 19684 3193 1 10 . 1 1 24 24 GLU HA H 24 4.539 4.539 4.570 -0.031 19684 3194 1 10 . 1 1 24 24 GLU C C 24 174.814 174.814 174.981 -0.167 19684 3195 1 10 . 1 1 24 24 GLU CA C 24 54.416 54.416 54.910 -0.494 19684 3196 1 10 . 1 1 24 24 GLU CB C 24 30.172 30.172 32.320 -2.148 19684 3197 1 10 . 1 1 24 24 GLU H H 24 8.594 8.594 8.403 0.191 19684 3198 1 10 . 1 1 25 25 ALA N N 25 128.937 128.937 123.979 4.958 19684 3199 1 10 . 1 1 25 25 ALA HA H 25 4.180 4.180 4.652 -0.472 19684 3200 1 10 . 1 1 25 25 ALA C C 25 178.154 178.154 177.077 1.077 19684 3201 1 10 . 1 1 25 25 ALA CA C 25 52.809 52.809 51.323 1.486 19684 3202 1 10 . 1 1 25 25 ALA CB C 25 20.779 20.779 20.122 0.657 19684 3203 1 10 . 1 1 25 25 ALA H H 25 8.555 8.555 8.390 0.165 19684 3204 1 10 . 1 1 26 26 GLU N N 26 119.582 119.582 123.780 -4.198 19684 3205 1 10 . 1 1 26 26 GLU HA H 26 4.268 4.268 4.268 -0.000 19684 3206 1 10 . 1 1 26 26 GLU C C 26 175.916 175.916 176.842 -0.926 19684 3207 1 10 . 1 1 26 26 GLU CA C 26 56.345 56.345 57.295 -0.950 19684 3208 1 10 . 1 1 26 26 GLU CB C 26 31.091 31.091 30.779 0.312 19684 3209 1 10 . 1 1 26 26 GLU H H 26 8.613 8.613 8.951 -0.338 19684 3210 1 10 . 1 1 27 27 HIS N N 27 115.533 115.533 116.792 -1.259 19684 3211 1 10 . 1 1 27 27 HIS C C 27 175.986 175.986 173.876 2.110 19684 3212 1 10 . 1 1 27 27 HIS CA C 27 54.711 54.711 56.420 -1.709 19684 3213 1 10 . 1 1 27 27 HIS CB C 27 32.077 32.077 31.591 0.486 19684 3214 1 10 . 1 1 27 27 HIS H H 27 7.418 7.418 7.796 -0.378 19684 3215 1 10 . 1 1 28 28 SER HA H 28 4.255 4.255 4.140 0.115 19684 3216 1 10 . 1 1 28 28 SER C C 28 174.619 174.619 174.007 0.612 19684 3217 1 10 . 1 1 28 28 SER CA C 28 60.985 60.985 59.502 1.483 19684 3218 1 10 . 1 1 28 28 SER CB C 28 62.890 62.890 62.381 0.509 19684 3219 1 10 . 1 1 29 29 SER N N 29 114.287 114.287 111.694 2.593 19684 3220 1 10 . 1 1 29 29 SER HA H 29 4.405 4.405 3.933 0.472 19684 3221 1 10 . 1 1 29 29 SER C C 29 174.305 174.305 173.886 0.419 19684 3222 1 10 . 1 1 29 29 SER CA C 29 58.564 58.564 59.345 -0.781 19684 3223 1 10 . 1 1 29 29 SER CB C 29 62.953 62.953 62.745 0.207 19684 3224 1 10 . 1 1 29 29 SER H H 29 8.207 8.207 8.312 -0.105 19684 3225 1 10 . 1 1 30 30 GLU N N 30 122.312 122.312 120.215 2.097 19684 3226 1 10 . 1 1 30 30 GLU HA H 30 4.690 4.690 4.385 0.305 19684 3227 1 10 . 1 1 30 30 GLU C C 30 175.373 175.373 176.543 -1.170 19684 3228 1 10 . 1 1 30 30 GLU CA C 30 54.894 54.894 56.990 -2.096 19684 3229 1 10 . 1 1 30 30 GLU CB C 30 31.495 31.495 30.617 0.878 19684 3230 1 10 . 1 1 30 30 GLU H H 30 7.798 7.798 7.579 0.219 19684 3231 1 10 . 1 1 31 31 LEU N N 31 118.829 118.829 123.105 -4.276 19684 3232 1 10 . 1 1 31 31 LEU HA H 31 4.686 4.686 4.795 -0.109 19684 3233 1 10 . 1 1 31 31 LEU C C 31 177.013 177.013 176.126 0.887 19684 3234 1 10 . 1 1 31 31 LEU CA C 31 54.627 54.627 53.745 0.882 19684 3235 1 10 . 1 1 31 31 LEU CB C 31 43.640 43.640 44.110 -0.470 19684 3236 1 10 . 1 1 31 31 LEU H H 31 8.084 8.084 8.645 -0.561 19684 3237 1 10 . 1 1 32 32 SER N N 32 115.422 115.422 117.604 -2.182 19684 3238 1 10 . 1 1 32 32 SER HA H 32 4.863 4.863 4.873 -0.010 19684 3239 1 10 . 1 1 32 32 SER C C 32 173.966 173.966 174.126 -0.160 19684 3240 1 10 . 1 1 32 32 SER CA C 32 57.745 57.745 57.737 0.008 19684 3241 1 10 . 1 1 32 32 SER CB C 32 64.735 64.735 64.036 0.699 19684 3242 1 10 . 1 1 32 32 SER H H 32 8.054 8.054 8.503 -0.449 19684 3243 1 10 . 1 1 33 33 PHE N N 33 116.920 116.920 120.655 -3.735 19684 3244 1 10 . 1 1 33 33 PHE HA H 33 4.889 4.889 5.026 -0.137 19684 3245 1 10 . 1 1 33 33 PHE C C 33 173.660 173.660 173.291 0.369 19684 3246 1 10 . 1 1 33 33 PHE CA C 33 56.261 56.261 56.913 -0.652 19684 3247 1 10 . 1 1 33 33 PHE CB C 33 39.272 39.272 41.279 -2.007 19684 3248 1 10 . 1 1 33 33 PHE H H 33 8.697 8.697 8.966 -0.269 19684 3249 1 10 . 1 1 34 34 GLU N N 34 119.852 119.852 118.952 0.900 19684 3250 1 10 . 1 1 34 34 GLU HA H 34 4.622 4.622 4.841 -0.219 19684 3251 1 10 . 1 1 34 34 GLU C C 34 176.044 176.044 175.709 0.335 19684 3252 1 10 . 1 1 34 34 GLU CA C 34 53.759 53.759 54.216 -0.457 19684 3253 1 10 . 1 1 34 34 GLU CB C 34 31.878 31.878 33.451 -1.573 19684 3254 1 10 . 1 1 34 34 GLU H H 34 8.616 8.616 8.757 -0.141 19684 3255 1 10 . 1 1 35 35 ILE N N 35 118.386 118.386 121.067 -2.681 19684 3256 1 10 . 1 1 35 35 ILE HA H 35 3.173 3.173 3.773 -0.600 19684 3257 1 10 . 1 1 35 35 ILE C C 35 177.205 177.205 176.985 0.220 19684 3258 1 10 . 1 1 35 35 ILE CA C 35 64.926 64.926 63.027 1.899 19684 3259 1 10 . 1 1 35 35 ILE CB C 35 38.013 38.013 36.819 1.194 19684 3260 1 10 . 1 1 35 35 ILE H H 35 8.428 8.428 8.648 -0.220 19684 3261 1 10 . 1 1 36 36 GLY N N 36 114.528 114.528 114.335 0.193 19684 3262 1 10 . 1 1 36 36 GLY C C 36 173.669 173.669 173.734 -0.065 19684 3263 1 10 . 1 1 36 36 GLY CA C 36 44.601 44.601 44.601 -0.000 19684 3264 1 10 . 1 1 36 36 GLY H H 36 8.568 8.568 8.441 0.127 19684 3265 1 10 . 1 1 37 37 ALA N N 37 123.910 123.910 125.624 -1.714 19684 3266 1 10 . 1 1 37 37 ALA HA H 37 3.975 3.975 4.133 -0.158 19684 3267 1 10 . 1 1 37 37 ALA C C 37 175.106 175.106 175.968 -0.862 19684 3268 1 10 . 1 1 37 37 ALA CA C 37 53.061 53.061 51.795 1.266 19684 3269 1 10 . 1 1 37 37 ALA CB C 37 19.337 19.337 18.795 0.542 19684 3270 1 10 . 1 1 37 37 ALA H H 37 7.564 7.564 7.726 -0.162 19684 3271 1 10 . 1 1 38 38 ILE N N 38 120.298 120.298 124.211 -3.913 19684 3272 1 10 . 1 1 38 38 ILE HA H 38 4.867 4.867 4.611 0.256 19684 3273 1 10 . 1 1 38 38 ILE C C 38 174.910 174.910 175.186 -0.276 19684 3274 1 10 . 1 1 38 38 ILE CA C 38 58.050 58.050 59.094 -1.044 19684 3275 1 10 . 1 1 38 38 ILE CB C 38 38.080 38.080 37.458 0.622 19684 3276 1 10 . 1 1 38 38 ILE H H 38 7.843 7.843 7.834 0.009 19684 3277 1 10 . 1 1 39 39 PHE N N 39 124.481 124.481 126.126 -1.645 19684 3278 1 10 . 1 1 39 39 PHE HA H 39 4.889 4.889 5.093 -0.204 19684 3279 1 10 . 1 1 39 39 PHE C C 39 175.106 175.106 175.230 -0.124 19684 3280 1 10 . 1 1 39 39 PHE CA C 39 55.542 55.542 55.899 -0.357 19684 3281 1 10 . 1 1 39 39 PHE CB C 39 42.173 42.173 41.561 0.612 19684 3282 1 10 . 1 1 39 39 PHE H H 39 8.884 8.884 8.770 0.114 19684 3283 1 10 . 1 1 40 40 GLU N N 40 117.747 117.747 121.505 -3.758 19684 3284 1 10 . 1 1 40 40 GLU HA H 40 4.788 4.788 4.597 0.191 19684 3285 1 10 . 1 1 40 40 GLU C C 40 175.797 175.797 176.758 -0.961 19684 3286 1 10 . 1 1 40 40 GLU CA C 40 53.945 53.945 54.983 -1.038 19684 3287 1 10 . 1 1 40 40 GLU CB C 40 32.928 32.928 31.324 1.604 19684 3288 1 10 . 1 1 40 40 GLU H H 40 9.047 9.047 8.461 0.586 19684 3289 1 10 . 1 1 41 41 ASP N N 41 120.461 120.461 122.174 -1.713 19684 3290 1 10 . 1 1 41 41 ASP HA H 41 4.331 4.331 4.171 0.160 19684 3291 1 10 . 1 1 41 41 ASP C C 41 175.720 175.720 175.169 0.551 19684 3292 1 10 . 1 1 41 41 ASP CA C 41 54.842 54.842 55.051 -0.209 19684 3293 1 10 . 1 1 41 41 ASP CB C 41 39.241 39.241 40.109 -0.868 19684 3294 1 10 . 1 1 41 41 ASP H H 41 8.875 8.875 8.526 0.349 19684 3295 1 10 . 1 1 42 42 VAL N N 42 120.471 120.471 120.764 -0.293 19684 3296 1 10 . 1 1 42 42 VAL HA H 42 4.788 4.788 4.430 0.358 19684 3297 1 10 . 1 1 42 42 VAL C C 42 176.652 176.652 175.690 0.962 19684 3298 1 10 . 1 1 42 42 VAL CA C 42 62.583 62.583 62.616 -0.033 19684 3299 1 10 . 1 1 42 42 VAL CB C 42 31.408 31.408 32.073 -0.665 19684 3300 1 10 . 1 1 42 42 VAL H H 42 8.932 8.932 7.777 1.155 19684 3301 1 10 . 1 1 43 43 GLN N N 43 124.450 124.450 126.452 -2.002 19684 3302 1 10 . 1 1 43 43 GLN HA H 43 4.859 4.859 4.715 0.144 19684 3303 1 10 . 1 1 43 43 GLN C C 43 174.928 174.928 174.700 0.228 19684 3304 1 10 . 1 1 43 43 GLN CA C 43 53.436 53.436 54.060 -0.624 19684 3305 1 10 . 1 1 43 43 GLN CB C 43 33.482 33.482 33.075 0.407 19684 3306 1 10 . 1 1 43 43 GLN H H 43 9.057 9.057 8.904 0.153 19684 3307 1 10 . 1 1 44 44 THR N N 44 116.345 116.345 116.574 -0.229 19684 3308 1 10 . 1 1 44 44 THR HA H 44 4.149 4.149 4.476 -0.328 19684 3309 1 10 . 1 1 44 44 THR C C 44 174.138 174.138 174.113 0.025 19684 3310 1 10 . 1 1 44 44 THR CA C 44 64.288 64.288 62.814 1.474 19684 3311 1 10 . 1 1 44 44 THR CB C 44 69.164 69.164 69.210 -0.046 19684 3312 1 10 . 1 1 44 44 THR H H 44 8.640 8.640 8.449 0.191 19684 3313 1 10 . 1 1 45 45 SER N N 45 119.635 119.635 121.921 -2.286 19684 3314 1 10 . 1 1 45 45 SER HA H 45 4.670 4.670 4.594 0.076 19684 3315 1 10 . 1 1 45 45 SER C C 45 174.304 174.304 175.354 -1.050 19684 3316 1 10 . 1 1 45 45 SER CA C 45 57.064 57.064 56.376 0.688 19684 3317 1 10 . 1 1 45 45 SER CB C 45 65.275 65.275 64.364 0.911 19684 3318 1 10 . 1 1 45 45 SER H H 45 7.971 7.971 8.129 -0.158 19684 3319 1 10 . 1 1 46 46 ARG N N 46 120.482 120.482 120.694 -0.212 19684 3320 1 10 . 1 1 46 46 ARG HA H 46 4.170 4.170 4.322 -0.152 19684 3321 1 10 . 1 1 46 46 ARG C C 46 176.486 176.486 176.571 -0.085 19684 3322 1 10 . 1 1 46 46 ARG CA C 46 57.675 57.675 57.640 0.035 19684 3323 1 10 . 1 1 46 46 ARG CB C 46 30.019 30.019 30.554 -0.535 19684 3324 1 10 . 1 1 46 46 ARG H H 46 8.491 8.491 8.599 -0.108 19684 3325 1 10 . 1 1 47 47 GLU N N 47 121.489 121.489 121.315 0.174 19684 3326 1 10 . 1 1 47 47 GLU HA H 47 4.820 4.820 4.526 0.294 19684 3327 1 10 . 1 1 47 47 GLU C C 47 173.926 173.926 174.690 -0.764 19684 3328 1 10 . 1 1 47 47 GLU CA C 47 52.716 52.716 54.316 -1.600 19684 3329 1 10 . 1 1 47 47 GLU CB C 47 30.039 30.039 29.060 0.979 19684 3330 1 10 . 1 1 47 47 GLU H H 47 8.530 8.530 7.772 0.758 19684 3331 1 10 . 1 1 48 48 PRO HA H 48 4.363 4.363 4.374 -0.011 19684 3332 1 10 . 1 1 48 48 PRO C C 48 177.954 177.954 177.134 0.820 19684 3333 1 10 . 1 1 48 48 PRO CA C 48 63.672 63.672 63.922 -0.250 19684 3334 1 10 . 1 1 48 48 PRO CB C 48 31.798 31.798 31.883 -0.085 19684 3335 1 10 . 1 1 49 49 GLY N N 49 110.220 110.220 110.527 -0.307 19684 3336 1 10 . 1 1 49 49 GLY C C 49 174.196 174.196 173.658 0.538 19684 3337 1 10 . 1 1 49 49 GLY CA C 49 44.965 44.965 44.739 0.226 19684 3338 1 10 . 1 1 49 49 GLY H H 49 8.660 8.660 8.549 0.111 19684 3339 1 10 . 1 1 50 50 TRP N N 50 120.527 120.527 121.938 -1.411 19684 3340 1 10 . 1 1 50 50 TRP HA H 50 5.098 5.098 5.484 -0.386 19684 3341 1 10 . 1 1 50 50 TRP C C 50 175.686 175.686 175.556 0.130 19684 3342 1 10 . 1 1 50 50 TRP CA C 50 56.460 56.460 56.335 0.125 19684 3343 1 10 . 1 1 50 50 TRP CB C 50 31.745 31.745 30.479 1.266 19684 3344 1 10 . 1 1 50 50 TRP H H 50 8.025 8.025 7.730 0.295 19684 3345 1 10 . 1 1 51 51 LEU N N 51 123.575 123.575 122.337 1.238 19684 3346 1 10 . 1 1 51 51 LEU HA H 51 4.966 4.966 5.046 -0.080 19684 3347 1 10 . 1 1 51 51 LEU C C 51 175.162 175.162 176.234 -1.072 19684 3348 1 10 . 1 1 51 51 LEU CA C 51 52.643 52.643 53.315 -0.672 19684 3349 1 10 . 1 1 51 51 LEU CB C 51 44.214 44.214 44.566 -0.352 19684 3350 1 10 . 1 1 51 51 LEU H H 51 9.635 9.635 9.130 0.505 19684 3351 1 10 . 1 1 52 52 GLU N N 52 119.825 119.825 119.757 0.068 19684 3352 1 10 . 1 1 52 52 GLU HA H 52 5.180 5.180 5.580 -0.400 19684 3353 1 10 . 1 1 52 52 GLU C C 52 175.082 175.082 176.226 -1.144 19684 3354 1 10 . 1 1 52 52 GLU CA C 52 54.693 54.693 54.802 -0.109 19684 3355 1 10 . 1 1 52 52 GLU CB C 52 32.735 32.735 32.618 0.117 19684 3356 1 10 . 1 1 52 52 GLU H H 52 9.144 9.144 8.516 0.628 19684 3357 1 10 . 1 1 53 53 GLY N N 53 106.528 106.528 111.105 -4.577 19684 3358 1 10 . 1 1 53 53 GLY C C 53 170.278 170.278 172.871 -2.593 19684 3359 1 10 . 1 1 53 53 GLY CA C 53 45.500 45.500 44.705 0.795 19684 3360 1 10 . 1 1 53 53 GLY H H 53 8.500 8.500 8.073 0.427 19684 3361 1 10 . 1 1 54 54 THR N N 54 115.540 115.540 118.863 -3.323 19684 3362 1 10 . 1 1 54 54 THR HA H 54 5.334 5.334 4.795 0.539 19684 3363 1 10 . 1 1 54 54 THR C C 54 173.549 173.549 173.579 -0.030 19684 3364 1 10 . 1 1 54 54 THR CA C 54 61.186 61.186 63.140 -1.954 19684 3365 1 10 . 1 1 54 54 THR CB C 54 69.935 69.935 69.636 0.299 19684 3366 1 10 . 1 1 54 54 THR H H 54 9.085 9.085 8.652 0.433 19684 3367 1 10 . 1 1 55 55 LEU N N 55 128.613 128.613 129.562 -0.949 19684 3368 1 10 . 1 1 55 55 LEU HA H 55 4.842 4.842 4.862 -0.020 19684 3369 1 10 . 1 1 55 55 LEU C C 55 176.045 176.045 176.084 -0.039 19684 3370 1 10 . 1 1 55 55 LEU CA C 55 53.387 53.387 53.953 -0.566 19684 3371 1 10 . 1 1 55 55 LEU CB C 55 45.579 45.579 45.125 0.454 19684 3372 1 10 . 1 1 55 55 LEU H H 55 9.368 9.368 8.690 0.678 19684 3373 1 10 . 1 1 56 56 ASN N N 56 128.674 128.674 125.404 3.270 19684 3374 1 10 . 1 1 56 56 ASN HA H 56 4.403 4.403 4.433 -0.030 19684 3375 1 10 . 1 1 56 56 ASN C C 56 175.457 175.457 175.416 0.041 19684 3376 1 10 . 1 1 56 56 ASN CA C 56 54.126 54.126 54.042 0.084 19684 3377 1 10 . 1 1 56 56 ASN CB C 56 37.291 37.291 36.881 0.410 19684 3378 1 10 . 1 1 56 56 ASN H H 56 9.670 9.670 9.280 0.390 19684 3379 1 10 . 1 1 57 57 GLY N N 57 102.683 102.683 103.828 -1.145 19684 3380 1 10 . 1 1 57 57 GLY C C 57 173.175 173.175 173.375 -0.200 19684 3381 1 10 . 1 1 57 57 GLY CA C 57 45.263 45.263 44.999 0.264 19684 3382 1 10 . 1 1 57 57 GLY H H 57 8.441 8.441 8.424 0.017 19684 3383 1 10 . 1 1 58 58 LYS N N 58 122.749 122.749 121.141 1.608 19684 3384 1 10 . 1 1 58 58 LYS HA H 58 4.621 4.621 4.568 0.053 19684 3385 1 10 . 1 1 58 58 LYS C C 58 173.237 173.237 174.981 -1.744 19684 3386 1 10 . 1 1 58 58 LYS CA C 58 54.962 54.962 54.906 0.056 19684 3387 1 10 . 1 1 58 58 LYS CB C 58 34.303 34.303 34.898 -0.595 19684 3388 1 10 . 1 1 58 58 LYS H H 58 7.847 7.847 7.683 0.164 19684 3389 1 10 . 1 1 59 59 ARG N N 59 127.435 127.435 128.827 -1.392 19684 3390 1 10 . 1 1 59 59 ARG HA H 59 5.417 5.417 5.181 0.236 19684 3391 1 10 . 1 1 59 59 ARG C C 59 176.486 176.486 175.616 0.870 19684 3392 1 10 . 1 1 59 59 ARG CA C 59 54.079 54.079 55.896 -1.817 19684 3393 1 10 . 1 1 59 59 ARG CB C 59 31.815 31.815 31.357 0.458 19684 3394 1 10 . 1 1 59 59 ARG H H 59 8.741 8.741 8.746 -0.005 19684 3395 1 10 . 1 1 60 60 GLY N N 60 112.447 112.447 111.710 0.737 19684 3396 1 10 . 1 1 60 60 GLY C C 60 170.709 170.709 172.535 -1.826 19684 3397 1 10 . 1 1 60 60 GLY CA C 60 45.648 45.648 44.803 0.845 19684 3398 1 10 . 1 1 60 60 GLY H H 60 8.745 8.745 8.009 0.736 19684 3399 1 10 . 1 1 61 61 LEU N N 61 117.631 117.631 121.622 -3.991 19684 3400 1 10 . 1 1 61 61 LEU HA H 61 5.330 5.330 4.770 0.560 19684 3401 1 10 . 1 1 61 61 LEU C C 61 178.461 178.461 176.371 2.090 19684 3402 1 10 . 1 1 61 61 LEU CA C 61 54.784 54.784 55.536 -0.752 19684 3403 1 10 . 1 1 61 61 LEU CB C 61 44.075 44.075 42.247 1.828 19684 3404 1 10 . 1 1 61 61 LEU H H 61 8.527 8.527 8.134 0.393 19684 3405 1 10 . 1 1 62 62 ILE N N 62 121.463 121.463 124.186 -2.723 19684 3406 1 10 . 1 1 62 62 ILE HA H 62 4.899 4.899 4.877 0.022 19684 3407 1 10 . 1 1 62 62 ILE C C 62 172.776 172.776 173.564 -0.788 19684 3408 1 10 . 1 1 62 62 ILE CA C 62 58.089 58.089 58.036 0.053 19684 3409 1 10 . 1 1 62 62 ILE CB C 62 43.821 43.821 40.957 2.864 19684 3410 1 10 . 1 1 62 62 ILE H H 62 9.387 9.387 9.293 0.094 19684 3411 1 10 . 1 1 63 63 PRO HA H 63 3.610 3.610 3.977 -0.367 19684 3412 1 10 . 1 1 63 63 PRO C C 63 179.007 179.007 177.182 1.825 19684 3413 1 10 . 1 1 63 63 PRO CA C 63 62.475 62.475 62.252 0.223 19684 3414 1 10 . 1 1 63 63 PRO CB C 63 30.637 30.637 30.930 -0.294 19684 3415 1 10 . 1 1 64 64 GLN N N 64 124.254 124.254 126.745 -2.491 19684 3416 1 10 . 1 1 64 64 GLN HA H 64 3.624 3.624 3.808 -0.184 19684 3417 1 10 . 1 1 64 64 GLN C C 64 176.210 176.210 177.699 -1.489 19684 3418 1 10 . 1 1 64 64 GLN CA C 64 58.984 58.984 59.346 -0.362 19684 3419 1 10 . 1 1 64 64 GLN CB C 64 28.212 28.212 28.577 -0.365 19684 3420 1 10 . 1 1 64 64 GLN H H 64 8.045 8.045 8.348 -0.303 19684 3421 1 10 . 1 1 65 65 ASN N N 65 111.289 111.289 115.097 -3.808 19684 3422 1 10 . 1 1 65 65 ASN HA H 65 4.722 4.722 4.539 0.183 19684 3423 1 10 . 1 1 65 65 ASN C C 65 175.720 175.720 175.770 -0.050 19684 3424 1 10 . 1 1 65 65 ASN CA C 65 53.734 53.734 55.536 -1.802 19684 3425 1 10 . 1 1 65 65 ASN CB C 65 36.735 36.735 38.394 -1.659 19684 3426 1 10 . 1 1 65 65 ASN H H 65 8.543 8.543 8.469 0.074 19684 3427 1 10 . 1 1 66 66 TYR N N 66 118.333 118.333 114.432 3.901 19684 3428 1 10 . 1 1 66 66 TYR HA H 66 4.906 4.906 5.012 -0.106 19684 3429 1 10 . 1 1 66 66 TYR C C 66 175.641 175.641 175.047 0.594 19684 3430 1 10 . 1 1 66 66 TYR CA C 66 57.121 57.121 56.103 1.018 19684 3431 1 10 . 1 1 66 66 TYR CB C 66 37.682 37.682 39.201 -1.519 19684 3432 1 10 . 1 1 66 66 TYR H H 66 7.919 7.919 7.679 0.240 19684 3433 1 10 . 1 1 67 67 VAL N N 67 108.796 108.796 113.023 -4.227 19684 3434 1 10 . 1 1 67 67 VAL HA H 67 5.441 5.441 5.089 0.352 19684 3435 1 10 . 1 1 67 67 VAL C C 67 173.714 173.714 174.970 -1.256 19684 3436 1 10 . 1 1 67 67 VAL CA C 67 57.990 57.990 58.686 -0.696 19684 3437 1 10 . 1 1 67 67 VAL CB C 67 35.467 35.467 35.091 0.376 19684 3438 1 10 . 1 1 67 67 VAL H H 67 7.341 7.341 7.395 -0.054 19684 3439 1 10 . 1 1 68 68 LYS N N 68 120.974 120.974 122.452 -1.478 19684 3440 1 10 . 1 1 68 68 LYS HA H 68 4.692 4.692 4.633 0.059 19684 3441 1 10 . 1 1 68 68 LYS C C 68 175.962 175.962 175.610 0.352 19684 3442 1 10 . 1 1 68 68 LYS CA C 68 54.108 54.108 54.574 -0.466 19684 3443 1 10 . 1 1 68 68 LYS CB C 68 35.051 35.051 35.141 -0.090 19684 3444 1 10 . 1 1 68 68 LYS H H 68 8.907 8.907 8.482 0.425 19684 3445 1 10 . 1 1 69 69 LEU N N 69 126.343 126.343 127.682 -1.339 19684 3446 1 10 . 1 1 69 69 LEU HA H 69 4.392 4.392 4.468 -0.076 19684 3447 1 10 . 1 1 69 69 LEU C C 69 176.293 176.293 177.116 -0.823 19684 3448 1 10 . 1 1 69 69 LEU CA C 69 55.627 55.627 55.430 0.197 19684 3449 1 10 . 1 1 69 69 LEU CB C 69 41.278 41.278 41.370 -0.092 19684 3450 1 10 . 1 1 69 69 LEU H H 69 8.791 8.791 8.706 0.085 19684 3451 1 11 . 1 1 2 2 GLY N N 2 113.935 113.935 108.708 5.227 19684 3452 1 11 . 1 1 2 2 GLY CA C 2 43.362 43.362 44.833 -1.471 19684 3453 1 11 . 1 1 2 2 GLY H H 2 8.251 8.251 8.345 -0.093 19684 3454 1 11 . 1 1 9 9 SER HA H 9 4.375 4.375 4.390 -0.015 19684 3455 1 11 . 1 1 9 9 SER CA C 9 58.422 58.422 58.913 -0.490 19684 3456 1 11 . 1 1 9 9 SER CB C 9 63.552 63.552 63.782 -0.230 19684 3457 1 11 . 1 1 10 10 HIS HA H 10 4.622 4.622 4.592 0.030 19684 3458 1 11 . 1 1 10 10 HIS C C 10 174.853 174.853 174.599 0.254 19684 3459 1 11 . 1 1 10 10 HIS CA C 10 55.967 55.967 55.176 0.791 19684 3460 1 11 . 1 1 10 10 HIS CB C 10 30.242 30.242 30.261 -0.019 19684 3461 1 11 . 1 1 11 11 MET N N 11 121.242 121.242 124.272 -3.030 19684 3462 1 11 . 1 1 11 11 MET HA H 11 4.432 4.432 4.509 -0.077 19684 3463 1 11 . 1 1 11 11 MET C C 11 175.804 175.804 176.746 -0.942 19684 3464 1 11 . 1 1 11 11 MET CA C 11 55.487 55.487 54.452 1.036 19684 3465 1 11 . 1 1 11 11 MET CB C 11 32.712 32.712 31.684 1.028 19684 3466 1 11 . 1 1 11 11 MET H H 11 8.210 8.210 8.683 -0.473 19684 3467 1 11 . 1 1 12 12 ILE N N 12 122.708 122.708 114.831 7.877 19684 3468 1 11 . 1 1 12 12 ILE HA H 12 4.173 4.173 4.053 0.120 19684 3469 1 11 . 1 1 12 12 ILE C C 12 175.916 175.916 176.460 -0.544 19684 3470 1 11 . 1 1 12 12 ILE CA C 12 60.878 60.878 62.008 -1.130 19684 3471 1 11 . 1 1 12 12 ILE CB C 12 38.534 38.534 38.050 0.484 19684 3472 1 11 . 1 1 12 12 ILE H H 12 8.236 8.236 7.908 0.328 19684 3473 1 11 . 1 1 13 13 ARG N N 13 125.079 125.079 121.321 3.758 19684 3474 1 11 . 1 1 13 13 ARG HA H 13 4.472 4.472 4.329 0.143 19684 3475 1 11 . 1 1 13 13 ARG C C 13 175.573 175.573 175.618 -0.045 19684 3476 1 11 . 1 1 13 13 ARG CA C 13 55.645 55.645 55.639 0.007 19684 3477 1 11 . 1 1 13 13 ARG CB C 13 31.256 31.256 30.774 0.482 19684 3478 1 11 . 1 1 13 13 ARG H H 13 8.386 8.386 7.743 0.643 19684 3479 1 11 . 1 1 14 14 SER N N 14 117.250 117.250 113.903 3.347 19684 3480 1 11 . 1 1 14 14 SER HA H 14 4.441 4.441 4.255 0.186 19684 3481 1 11 . 1 1 14 14 SER C C 14 174.090 174.090 174.055 0.035 19684 3482 1 11 . 1 1 14 14 SER CA C 14 58.062 58.062 58.791 -0.729 19684 3483 1 11 . 1 1 14 14 SER CB C 14 63.638 63.638 62.870 0.768 19684 3484 1 11 . 1 1 14 14 SER H H 14 8.386 8.386 8.458 -0.072 19684 3485 1 11 . 1 1 15 15 ARG N N 15 123.266 123.266 124.242 -0.976 19684 3486 1 11 . 1 1 15 15 ARG HA H 15 4.651 4.651 4.477 0.174 19684 3487 1 11 . 1 1 15 15 ARG C C 15 174.913 174.913 175.130 -0.217 19684 3488 1 11 . 1 1 15 15 ARG CA C 15 54.960 54.960 54.673 0.287 19684 3489 1 11 . 1 1 15 15 ARG CB C 15 31.574 31.574 32.819 -1.245 19684 3490 1 11 . 1 1 15 15 ARG H H 15 8.721 8.721 8.424 0.297 19684 3491 1 11 . 1 1 16 16 LYS N N 16 120.105 120.105 120.306 -0.201 19684 3492 1 11 . 1 1 16 16 LYS HA H 16 5.315 5.315 5.588 -0.273 19684 3493 1 11 . 1 1 16 16 LYS C C 16 175.755 175.755 175.690 0.065 19684 3494 1 11 . 1 1 16 16 LYS CA C 16 54.926 54.926 54.594 0.332 19684 3495 1 11 . 1 1 16 16 LYS CB C 16 36.741 36.741 35.934 0.807 19684 3496 1 11 . 1 1 16 16 LYS H H 16 8.406 8.406 8.427 -0.021 19684 3497 1 11 . 1 1 17 17 ALA N N 17 118.564 118.564 121.649 -3.085 19684 3498 1 11 . 1 1 17 17 ALA HA H 17 5.256 5.256 5.063 0.193 19684 3499 1 11 . 1 1 17 17 ALA C C 17 173.884 173.884 174.978 -1.094 19684 3500 1 11 . 1 1 17 17 ALA CA C 17 50.673 50.673 51.157 -0.484 19684 3501 1 11 . 1 1 17 17 ALA CB C 17 23.580 23.580 23.415 0.165 19684 3502 1 11 . 1 1 17 17 ALA H H 17 8.310 8.310 8.320 -0.010 19684 3503 1 11 . 1 1 18 18 ARG N N 18 119.872 119.872 122.128 -2.256 19684 3504 1 11 . 1 1 18 18 ARG HA H 18 5.755 5.755 4.905 0.850 19684 3505 1 11 . 1 1 18 18 ARG C C 18 176.196 176.196 175.297 0.899 19684 3506 1 11 . 1 1 18 18 ARG CA C 18 53.023 53.023 54.020 -0.998 19684 3507 1 11 . 1 1 18 18 ARG CB C 18 34.603 34.603 33.681 0.922 19684 3508 1 11 . 1 1 18 18 ARG H H 18 9.008 9.008 8.632 0.376 19684 3509 1 11 . 1 1 19 19 ALA N N 19 127.577 127.577 130.193 -2.616 19684 3510 1 11 . 1 1 19 19 ALA HA H 19 4.828 4.828 4.686 0.142 19684 3511 1 11 . 1 1 19 19 ALA C C 19 178.887 178.887 177.590 1.297 19684 3512 1 11 . 1 1 19 19 ALA CA C 19 53.215 53.215 52.416 0.799 19684 3513 1 11 . 1 1 19 19 ALA CB C 19 21.164 21.164 19.136 2.029 19684 3514 1 11 . 1 1 19 19 ALA H H 19 9.456 9.456 8.584 0.872 19684 3515 1 11 . 1 1 20 20 VAL N N 20 120.989 120.989 119.564 1.425 19684 3516 1 11 . 1 1 20 20 VAL HA H 20 4.233 4.233 4.204 0.029 19684 3517 1 11 . 1 1 20 20 VAL C C 20 173.478 173.478 175.331 -1.853 19684 3518 1 11 . 1 1 20 20 VAL CA C 20 61.659 61.659 62.313 -0.654 19684 3519 1 11 . 1 1 20 20 VAL CB C 20 32.406 32.406 32.394 0.012 19684 3520 1 11 . 1 1 20 20 VAL H H 20 9.261 9.261 8.155 1.106 19684 3521 1 11 . 1 1 21 21 TYR N N 21 120.793 120.793 119.887 0.906 19684 3522 1 11 . 1 1 21 21 TYR HA H 21 4.917 4.917 4.850 0.067 19684 3523 1 11 . 1 1 21 21 TYR C C 21 171.768 171.768 173.690 -1.922 19684 3524 1 11 . 1 1 21 21 TYR CA C 21 54.783 54.783 54.861 -0.078 19684 3525 1 11 . 1 1 21 21 TYR CB C 21 41.028 41.028 38.917 2.111 19684 3526 1 11 . 1 1 21 21 TYR H H 21 7.740 7.740 7.846 -0.106 19684 3527 1 11 . 1 1 22 22 PRO HA H 22 4.569 4.569 4.756 -0.187 19684 3528 1 11 . 1 1 22 22 PRO C C 22 175.447 175.447 175.131 0.316 19684 3529 1 11 . 1 1 22 22 PRO CA C 22 61.784 61.784 62.348 -0.564 19684 3530 1 11 . 1 1 22 22 PRO CB C 22 32.301 32.301 32.978 -0.677 19684 3531 1 11 . 1 1 23 23 CYS N N 23 117.584 117.584 117.197 0.387 19684 3532 1 11 . 1 1 23 23 CYS HA H 23 4.369 4.369 4.767 -0.398 19684 3533 1 11 . 1 1 23 23 CYS C C 23 173.409 173.409 173.369 0.040 19684 3534 1 11 . 1 1 23 23 CYS CA C 23 58.325 58.325 56.189 2.136 19684 3535 1 11 . 1 1 23 23 CYS CB C 23 30.008 30.008 30.547 -0.539 19684 3536 1 11 . 1 1 23 23 CYS H H 23 8.265 8.265 7.916 0.349 19684 3537 1 11 . 1 1 24 24 GLU N N 24 131.184 131.184 120.035 11.149 19684 3538 1 11 . 1 1 24 24 GLU HA H 24 4.539 4.539 4.616 -0.077 19684 3539 1 11 . 1 1 24 24 GLU C C 24 174.814 174.814 174.474 0.340 19684 3540 1 11 . 1 1 24 24 GLU CA C 24 54.416 54.416 54.537 -0.121 19684 3541 1 11 . 1 1 24 24 GLU CB C 24 30.172 30.172 31.921 -1.749 19684 3542 1 11 . 1 1 24 24 GLU H H 24 8.594 8.594 8.540 0.054 19684 3543 1 11 . 1 1 25 25 ALA N N 25 128.937 128.937 127.960 0.977 19684 3544 1 11 . 1 1 25 25 ALA HA H 25 4.180 4.180 4.390 -0.210 19684 3545 1 11 . 1 1 25 25 ALA C C 25 178.154 178.154 177.905 0.249 19684 3546 1 11 . 1 1 25 25 ALA CA C 25 52.809 52.809 52.118 0.691 19684 3547 1 11 . 1 1 25 25 ALA CB C 25 20.779 20.779 18.472 2.307 19684 3548 1 11 . 1 1 25 25 ALA H H 25 8.555 8.555 8.497 0.058 19684 3549 1 11 . 1 1 26 26 GLU N N 26 119.582 119.582 123.567 -3.985 19684 3550 1 11 . 1 1 26 26 GLU HA H 26 4.268 4.268 4.079 0.189 19684 3551 1 11 . 1 1 26 26 GLU C C 26 175.916 175.916 176.777 -0.861 19684 3552 1 11 . 1 1 26 26 GLU CA C 26 56.345 56.345 57.312 -0.967 19684 3553 1 11 . 1 1 26 26 GLU CB C 26 31.091 31.091 30.106 0.985 19684 3554 1 11 . 1 1 26 26 GLU H H 26 8.613 8.613 8.869 -0.256 19684 3555 1 11 . 1 1 27 27 HIS N N 27 115.533 115.533 118.080 -2.547 19684 3556 1 11 . 1 1 27 27 HIS C C 27 175.986 175.986 175.033 0.953 19684 3557 1 11 . 1 1 27 27 HIS CA C 27 54.711 54.711 54.288 0.423 19684 3558 1 11 . 1 1 27 27 HIS CB C 27 32.077 32.077 32.627 -0.550 19684 3559 1 11 . 1 1 27 27 HIS H H 27 7.418 7.418 7.802 -0.384 19684 3560 1 11 . 1 1 28 28 SER HA H 28 4.255 4.255 4.172 0.083 19684 3561 1 11 . 1 1 28 28 SER C C 28 174.619 174.619 175.191 -0.572 19684 3562 1 11 . 1 1 28 28 SER CA C 28 60.985 60.985 60.033 0.952 19684 3563 1 11 . 1 1 28 28 SER CB C 28 62.890 62.890 62.455 0.435 19684 3564 1 11 . 1 1 29 29 SER N N 29 114.287 114.287 117.421 -3.134 19684 3565 1 11 . 1 1 29 29 SER HA H 29 4.405 4.405 4.305 0.100 19684 3566 1 11 . 1 1 29 29 SER C C 29 174.305 174.305 175.360 -1.055 19684 3567 1 11 . 1 1 29 29 SER CA C 29 58.564 58.564 61.622 -3.058 19684 3568 1 11 . 1 1 29 29 SER CB C 29 62.953 62.953 63.599 -0.646 19684 3569 1 11 . 1 1 29 29 SER H H 29 8.207 8.207 7.785 0.422 19684 3570 1 11 . 1 1 30 30 GLU N N 30 122.312 122.312 120.548 1.764 19684 3571 1 11 . 1 1 30 30 GLU HA H 30 4.690 4.690 4.631 0.059 19684 3572 1 11 . 1 1 30 30 GLU C C 30 175.373 175.373 176.885 -1.512 19684 3573 1 11 . 1 1 30 30 GLU CA C 30 54.894 54.894 56.208 -1.313 19684 3574 1 11 . 1 1 30 30 GLU CB C 30 31.495 31.495 30.546 0.949 19684 3575 1 11 . 1 1 30 30 GLU H H 30 7.798 7.798 7.614 0.184 19684 3576 1 11 . 1 1 31 31 LEU N N 31 118.829 118.829 120.689 -1.860 19684 3577 1 11 . 1 1 31 31 LEU HA H 31 4.686 4.686 4.771 -0.085 19684 3578 1 11 . 1 1 31 31 LEU C C 31 177.013 177.013 175.580 1.433 19684 3579 1 11 . 1 1 31 31 LEU CA C 31 54.627 54.627 54.249 0.378 19684 3580 1 11 . 1 1 31 31 LEU CB C 31 43.640 43.640 45.172 -1.532 19684 3581 1 11 . 1 1 31 31 LEU H H 31 8.084 8.084 8.501 -0.417 19684 3582 1 11 . 1 1 32 32 SER N N 32 115.422 115.422 115.973 -0.551 19684 3583 1 11 . 1 1 32 32 SER HA H 32 4.863 4.863 4.724 0.139 19684 3584 1 11 . 1 1 32 32 SER C C 32 173.966 173.966 173.712 0.254 19684 3585 1 11 . 1 1 32 32 SER CA C 32 57.745 57.745 57.756 -0.011 19684 3586 1 11 . 1 1 32 32 SER CB C 32 64.735 64.735 64.127 0.608 19684 3587 1 11 . 1 1 32 32 SER H H 32 8.054 8.054 8.444 -0.390 19684 3588 1 11 . 1 1 33 33 PHE N N 33 116.920 116.920 121.704 -4.784 19684 3589 1 11 . 1 1 33 33 PHE HA H 33 4.889 4.889 4.972 -0.083 19684 3590 1 11 . 1 1 33 33 PHE C C 33 173.660 173.660 173.498 0.162 19684 3591 1 11 . 1 1 33 33 PHE CA C 33 56.261 56.261 56.894 -0.632 19684 3592 1 11 . 1 1 33 33 PHE CB C 33 39.272 39.272 41.334 -2.062 19684 3593 1 11 . 1 1 33 33 PHE H H 33 8.697 8.697 8.520 0.177 19684 3594 1 11 . 1 1 34 34 GLU N N 34 119.852 119.852 118.793 1.059 19684 3595 1 11 . 1 1 34 34 GLU HA H 34 4.622 4.622 4.751 -0.129 19684 3596 1 11 . 1 1 34 34 GLU C C 34 176.044 176.044 175.119 0.925 19684 3597 1 11 . 1 1 34 34 GLU CA C 34 53.759 53.759 54.647 -0.888 19684 3598 1 11 . 1 1 34 34 GLU CB C 34 31.878 31.878 32.456 -0.578 19684 3599 1 11 . 1 1 34 34 GLU H H 34 8.616 8.616 8.969 -0.353 19684 3600 1 11 . 1 1 35 35 ILE N N 35 118.386 118.386 120.098 -1.712 19684 3601 1 11 . 1 1 35 35 ILE HA H 35 3.173 3.173 3.974 -0.801 19684 3602 1 11 . 1 1 35 35 ILE C C 35 177.205 177.205 177.179 0.026 19684 3603 1 11 . 1 1 35 35 ILE CA C 35 64.926 64.926 62.956 1.970 19684 3604 1 11 . 1 1 35 35 ILE CB C 35 38.013 38.013 37.163 0.850 19684 3605 1 11 . 1 1 35 35 ILE H H 35 8.428 8.428 8.505 -0.077 19684 3606 1 11 . 1 1 36 36 GLY N N 36 114.528 114.528 114.688 -0.160 19684 3607 1 11 . 1 1 36 36 GLY C C 36 173.669 173.669 173.927 -0.258 19684 3608 1 11 . 1 1 36 36 GLY CA C 36 44.601 44.601 44.692 -0.091 19684 3609 1 11 . 1 1 36 36 GLY H H 36 8.568 8.568 8.912 -0.344 19684 3610 1 11 . 1 1 37 37 ALA N N 37 123.910 123.910 125.721 -1.811 19684 3611 1 11 . 1 1 37 37 ALA HA H 37 3.975 3.975 4.147 -0.172 19684 3612 1 11 . 1 1 37 37 ALA C C 37 175.106 175.106 176.161 -1.055 19684 3613 1 11 . 1 1 37 37 ALA CA C 37 53.061 53.061 51.892 1.169 19684 3614 1 11 . 1 1 37 37 ALA CB C 37 19.337 19.337 18.646 0.691 19684 3615 1 11 . 1 1 37 37 ALA H H 37 7.564 7.564 7.519 0.045 19684 3616 1 11 . 1 1 38 38 ILE N N 38 120.298 120.298 123.843 -3.545 19684 3617 1 11 . 1 1 38 38 ILE HA H 38 4.867 4.867 4.654 0.213 19684 3618 1 11 . 1 1 38 38 ILE C C 38 174.910 174.910 175.203 -0.293 19684 3619 1 11 . 1 1 38 38 ILE CA C 38 58.050 58.050 59.213 -1.163 19684 3620 1 11 . 1 1 38 38 ILE CB C 38 38.080 38.080 37.880 0.200 19684 3621 1 11 . 1 1 38 38 ILE H H 38 7.843 7.843 7.651 0.192 19684 3622 1 11 . 1 1 39 39 PHE N N 39 124.481 124.481 125.236 -0.755 19684 3623 1 11 . 1 1 39 39 PHE HA H 39 4.889 4.889 5.060 -0.171 19684 3624 1 11 . 1 1 39 39 PHE C C 39 175.106 175.106 175.135 -0.029 19684 3625 1 11 . 1 1 39 39 PHE CA C 39 55.542 55.542 56.072 -0.530 19684 3626 1 11 . 1 1 39 39 PHE CB C 39 42.173 42.173 42.114 0.060 19684 3627 1 11 . 1 1 39 39 PHE H H 39 8.884 8.884 8.698 0.186 19684 3628 1 11 . 1 1 40 40 GLU N N 40 117.747 117.747 120.337 -2.590 19684 3629 1 11 . 1 1 40 40 GLU HA H 40 4.788 4.788 4.726 0.062 19684 3630 1 11 . 1 1 40 40 GLU C C 40 175.797 175.797 176.701 -0.904 19684 3631 1 11 . 1 1 40 40 GLU CA C 40 53.945 53.945 54.785 -0.840 19684 3632 1 11 . 1 1 40 40 GLU CB C 40 32.928 32.928 31.847 1.081 19684 3633 1 11 . 1 1 40 40 GLU H H 40 9.047 9.047 8.782 0.265 19684 3634 1 11 . 1 1 41 41 ASP N N 41 120.461 120.461 118.873 1.588 19684 3635 1 11 . 1 1 41 41 ASP HA H 41 4.331 4.331 4.183 0.148 19684 3636 1 11 . 1 1 41 41 ASP C C 41 175.720 175.720 175.720 0.000 19684 3637 1 11 . 1 1 41 41 ASP CA C 41 54.842 54.842 55.673 -0.831 19684 3638 1 11 . 1 1 41 41 ASP CB C 41 39.241 39.241 39.334 -0.093 19684 3639 1 11 . 1 1 41 41 ASP H H 41 8.875 8.875 8.482 0.393 19684 3640 1 11 . 1 1 42 42 VAL N N 42 120.471 120.471 119.173 1.298 19684 3641 1 11 . 1 1 42 42 VAL HA H 42 4.788 4.788 4.194 0.594 19684 3642 1 11 . 1 1 42 42 VAL C C 42 176.652 176.652 175.815 0.837 19684 3643 1 11 . 1 1 42 42 VAL CA C 42 62.583 62.583 63.430 -0.847 19684 3644 1 11 . 1 1 42 42 VAL CB C 42 31.408 31.408 31.788 -0.380 19684 3645 1 11 . 1 1 42 42 VAL H H 42 8.932 8.932 8.066 0.866 19684 3646 1 11 . 1 1 43 43 GLN N N 43 124.450 124.450 127.334 -2.884 19684 3647 1 11 . 1 1 43 43 GLN HA H 43 4.859 4.859 4.739 0.120 19684 3648 1 11 . 1 1 43 43 GLN C C 43 174.928 174.928 174.901 0.027 19684 3649 1 11 . 1 1 43 43 GLN CA C 43 53.436 53.436 53.727 -0.291 19684 3650 1 11 . 1 1 43 43 GLN CB C 43 33.482 33.482 32.770 0.712 19684 3651 1 11 . 1 1 43 43 GLN H H 43 9.057 9.057 8.787 0.270 19684 3652 1 11 . 1 1 44 44 THR N N 44 116.345 116.345 117.011 -0.666 19684 3653 1 11 . 1 1 44 44 THR HA H 44 4.149 4.149 4.440 -0.291 19684 3654 1 11 . 1 1 44 44 THR C C 44 174.138 174.138 174.424 -0.286 19684 3655 1 11 . 1 1 44 44 THR CA C 44 64.288 64.288 62.709 1.579 19684 3656 1 11 . 1 1 44 44 THR CB C 44 69.164 69.164 69.289 -0.125 19684 3657 1 11 . 1 1 44 44 THR H H 44 8.640 8.640 8.462 0.178 19684 3658 1 11 . 1 1 45 45 SER N N 45 119.635 119.635 121.194 -1.559 19684 3659 1 11 . 1 1 45 45 SER HA H 45 4.670 4.670 4.530 0.140 19684 3660 1 11 . 1 1 45 45 SER C C 45 174.304 174.304 175.504 -1.200 19684 3661 1 11 . 1 1 45 45 SER CA C 45 57.064 57.064 58.392 -1.328 19684 3662 1 11 . 1 1 45 45 SER CB C 45 65.275 65.275 64.254 1.021 19684 3663 1 11 . 1 1 45 45 SER H H 45 7.971 7.971 8.303 -0.332 19684 3664 1 11 . 1 1 46 46 ARG N N 46 120.482 120.482 121.768 -1.286 19684 3665 1 11 . 1 1 46 46 ARG HA H 46 4.170 4.170 4.278 -0.108 19684 3666 1 11 . 1 1 46 46 ARG C C 46 176.486 176.486 175.885 0.601 19684 3667 1 11 . 1 1 46 46 ARG CA C 46 57.675 57.675 57.744 -0.069 19684 3668 1 11 . 1 1 46 46 ARG CB C 46 30.019 30.019 30.547 -0.527 19684 3669 1 11 . 1 1 46 46 ARG H H 46 8.491 8.491 8.613 -0.122 19684 3670 1 11 . 1 1 47 47 GLU N N 47 121.489 121.489 120.443 1.046 19684 3671 1 11 . 1 1 47 47 GLU HA H 47 4.820 4.820 4.582 0.238 19684 3672 1 11 . 1 1 47 47 GLU C C 47 173.926 173.926 174.590 -0.664 19684 3673 1 11 . 1 1 47 47 GLU CA C 47 52.716 52.716 53.712 -0.995 19684 3674 1 11 . 1 1 47 47 GLU CB C 47 30.039 30.039 29.248 0.791 19684 3675 1 11 . 1 1 47 47 GLU H H 47 8.530 8.530 7.902 0.628 19684 3676 1 11 . 1 1 48 48 PRO HA H 48 4.363 4.363 4.366 -0.003 19684 3677 1 11 . 1 1 48 48 PRO C C 48 177.954 177.954 177.153 0.801 19684 3678 1 11 . 1 1 48 48 PRO CA C 48 63.672 63.672 64.038 -0.366 19684 3679 1 11 . 1 1 48 48 PRO CB C 48 31.798 31.798 31.885 -0.087 19684 3680 1 11 . 1 1 49 49 GLY N N 49 110.220 110.220 110.532 -0.312 19684 3681 1 11 . 1 1 49 49 GLY C C 49 174.196 174.196 173.712 0.484 19684 3682 1 11 . 1 1 49 49 GLY CA C 49 44.965 44.965 44.821 0.144 19684 3683 1 11 . 1 1 49 49 GLY H H 49 8.660 8.660 8.587 0.073 19684 3684 1 11 . 1 1 50 50 TRP N N 50 120.527 120.527 120.655 -0.128 19684 3685 1 11 . 1 1 50 50 TRP HA H 50 5.098 5.098 5.542 -0.444 19684 3686 1 11 . 1 1 50 50 TRP C C 50 175.686 175.686 175.352 0.334 19684 3687 1 11 . 1 1 50 50 TRP CA C 50 56.460 56.460 56.196 0.264 19684 3688 1 11 . 1 1 50 50 TRP CB C 50 31.745 31.745 31.685 0.060 19684 3689 1 11 . 1 1 50 50 TRP H H 50 8.025 8.025 7.634 0.391 19684 3690 1 11 . 1 1 51 51 LEU N N 51 123.575 123.575 120.467 3.108 19684 3691 1 11 . 1 1 51 51 LEU HA H 51 4.966 4.966 5.059 -0.093 19684 3692 1 11 . 1 1 51 51 LEU C C 51 175.162 175.162 175.655 -0.493 19684 3693 1 11 . 1 1 51 51 LEU CA C 51 52.643 52.643 53.367 -0.724 19684 3694 1 11 . 1 1 51 51 LEU CB C 51 44.214 44.214 46.178 -1.964 19684 3695 1 11 . 1 1 51 51 LEU H H 51 9.635 9.635 9.220 0.415 19684 3696 1 11 . 1 1 52 52 GLU N N 52 119.825 119.825 120.669 -0.844 19684 3697 1 11 . 1 1 52 52 GLU HA H 52 5.180 5.180 5.380 -0.200 19684 3698 1 11 . 1 1 52 52 GLU C C 52 175.082 175.082 176.268 -1.186 19684 3699 1 11 . 1 1 52 52 GLU CA C 52 54.693 54.693 55.045 -0.352 19684 3700 1 11 . 1 1 52 52 GLU CB C 52 32.735 32.735 31.791 0.944 19684 3701 1 11 . 1 1 52 52 GLU H H 52 9.144 9.144 8.707 0.437 19684 3702 1 11 . 1 1 53 53 GLY N N 53 106.528 106.528 111.773 -5.245 19684 3703 1 11 . 1 1 53 53 GLY C C 53 170.278 170.278 172.937 -2.659 19684 3704 1 11 . 1 1 53 53 GLY CA C 53 45.500 45.500 44.343 1.157 19684 3705 1 11 . 1 1 53 53 GLY H H 53 8.500 8.500 8.103 0.397 19684 3706 1 11 . 1 1 54 54 THR N N 54 115.540 115.540 121.040 -5.500 19684 3707 1 11 . 1 1 54 54 THR HA H 54 5.334 5.334 4.751 0.583 19684 3708 1 11 . 1 1 54 54 THR C C 54 173.549 173.549 173.270 0.279 19684 3709 1 11 . 1 1 54 54 THR CA C 54 61.186 61.186 62.350 -1.165 19684 3710 1 11 . 1 1 54 54 THR CB C 54 69.935 69.935 70.024 -0.089 19684 3711 1 11 . 1 1 54 54 THR H H 54 9.085 9.085 8.893 0.192 19684 3712 1 11 . 1 1 55 55 LEU N N 55 128.613 128.613 130.291 -1.678 19684 3713 1 11 . 1 1 55 55 LEU HA H 55 4.842 4.842 4.823 0.019 19684 3714 1 11 . 1 1 55 55 LEU C C 55 176.045 176.045 176.374 -0.329 19684 3715 1 11 . 1 1 55 55 LEU CA C 55 53.387 53.387 53.444 -0.056 19684 3716 1 11 . 1 1 55 55 LEU CB C 55 45.579 45.579 43.761 1.818 19684 3717 1 11 . 1 1 55 55 LEU H H 55 9.368 9.368 8.809 0.559 19684 3718 1 11 . 1 1 56 56 ASN N N 56 128.674 128.674 126.067 2.607 19684 3719 1 11 . 1 1 56 56 ASN HA H 56 4.403 4.403 4.423 -0.020 19684 3720 1 11 . 1 1 56 56 ASN C C 56 175.457 175.457 175.160 0.297 19684 3721 1 11 . 1 1 56 56 ASN CA C 56 54.126 54.126 54.148 -0.022 19684 3722 1 11 . 1 1 56 56 ASN CB C 56 37.291 37.291 37.464 -0.173 19684 3723 1 11 . 1 1 56 56 ASN H H 56 9.670 9.670 9.422 0.248 19684 3724 1 11 . 1 1 57 57 GLY N N 57 102.683 102.683 102.805 -0.122 19684 3725 1 11 . 1 1 57 57 GLY C C 57 173.175 173.175 173.406 -0.231 19684 3726 1 11 . 1 1 57 57 GLY CA C 57 45.263 45.263 44.805 0.458 19684 3727 1 11 . 1 1 57 57 GLY H H 57 8.441 8.441 8.240 0.201 19684 3728 1 11 . 1 1 58 58 LYS N N 58 122.749 122.749 122.856 -0.107 19684 3729 1 11 . 1 1 58 58 LYS HA H 58 4.621 4.621 4.544 0.077 19684 3730 1 11 . 1 1 58 58 LYS C C 58 173.237 173.237 175.149 -1.912 19684 3731 1 11 . 1 1 58 58 LYS CA C 58 54.962 54.962 55.117 -0.155 19684 3732 1 11 . 1 1 58 58 LYS CB C 58 34.303 34.303 33.782 0.521 19684 3733 1 11 . 1 1 58 58 LYS H H 58 7.847 7.847 7.846 0.001 19684 3734 1 11 . 1 1 59 59 ARG N N 59 127.435 127.435 128.477 -1.042 19684 3735 1 11 . 1 1 59 59 ARG HA H 59 5.417 5.417 5.377 0.040 19684 3736 1 11 . 1 1 59 59 ARG C C 59 176.486 176.486 175.768 0.718 19684 3737 1 11 . 1 1 59 59 ARG CA C 59 54.079 54.079 55.258 -1.179 19684 3738 1 11 . 1 1 59 59 ARG CB C 59 31.815 31.815 32.423 -0.608 19684 3739 1 11 . 1 1 59 59 ARG H H 59 8.741 8.741 8.710 0.031 19684 3740 1 11 . 1 1 60 60 GLY N N 60 112.447 112.447 111.515 0.932 19684 3741 1 11 . 1 1 60 60 GLY C C 60 170.709 170.709 172.543 -1.834 19684 3742 1 11 . 1 1 60 60 GLY CA C 60 45.648 45.648 44.957 0.691 19684 3743 1 11 . 1 1 60 60 GLY H H 60 8.745 8.745 8.009 0.736 19684 3744 1 11 . 1 1 61 61 LEU N N 61 117.631 117.631 121.429 -3.798 19684 3745 1 11 . 1 1 61 61 LEU HA H 61 5.330 5.330 4.743 0.587 19684 3746 1 11 . 1 1 61 61 LEU C C 61 178.461 178.461 176.214 2.247 19684 3747 1 11 . 1 1 61 61 LEU CA C 61 54.784 54.784 55.319 -0.535 19684 3748 1 11 . 1 1 61 61 LEU CB C 61 44.075 44.075 42.724 1.351 19684 3749 1 11 . 1 1 61 61 LEU H H 61 8.527 8.527 8.257 0.270 19684 3750 1 11 . 1 1 62 62 ILE N N 62 121.463 121.463 123.951 -2.488 19684 3751 1 11 . 1 1 62 62 ILE HA H 62 4.899 4.899 4.814 0.085 19684 3752 1 11 . 1 1 62 62 ILE C C 62 172.776 172.776 173.412 -0.636 19684 3753 1 11 . 1 1 62 62 ILE CA C 62 58.089 58.089 58.087 0.002 19684 3754 1 11 . 1 1 62 62 ILE CB C 62 43.821 43.821 41.172 2.649 19684 3755 1 11 . 1 1 62 62 ILE H H 62 9.387 9.387 9.198 0.189 19684 3756 1 11 . 1 1 63 63 PRO HA H 63 3.610 3.610 3.782 -0.172 19684 3757 1 11 . 1 1 63 63 PRO C C 63 179.007 179.007 177.040 1.967 19684 3758 1 11 . 1 1 63 63 PRO CA C 63 62.475 62.475 62.159 0.316 19684 3759 1 11 . 1 1 63 63 PRO CB C 63 30.637 30.637 30.794 -0.157 19684 3760 1 11 . 1 1 64 64 GLN N N 64 124.254 124.254 127.180 -2.926 19684 3761 1 11 . 1 1 64 64 GLN HA H 64 3.624 3.624 3.813 -0.189 19684 3762 1 11 . 1 1 64 64 GLN C C 64 176.210 176.210 177.808 -1.598 19684 3763 1 11 . 1 1 64 64 GLN CA C 64 58.984 58.984 59.307 -0.323 19684 3764 1 11 . 1 1 64 64 GLN CB C 64 28.212 28.212 28.541 -0.329 19684 3765 1 11 . 1 1 64 64 GLN H H 64 8.045 8.045 8.238 -0.193 19684 3766 1 11 . 1 1 65 65 ASN N N 65 111.289 111.289 117.828 -6.539 19684 3767 1 11 . 1 1 65 65 ASN HA H 65 4.722 4.722 4.599 0.123 19684 3768 1 11 . 1 1 65 65 ASN C C 65 175.720 175.720 176.980 -1.260 19684 3769 1 11 . 1 1 65 65 ASN CA C 65 53.734 53.734 55.582 -1.848 19684 3770 1 11 . 1 1 65 65 ASN CB C 65 36.735 36.735 38.159 -1.424 19684 3771 1 11 . 1 1 65 65 ASN H H 65 8.543 8.543 8.480 0.063 19684 3772 1 11 . 1 1 66 66 TYR N N 66 118.333 118.333 115.711 2.622 19684 3773 1 11 . 1 1 66 66 TYR HA H 66 4.906 4.906 4.922 -0.016 19684 3774 1 11 . 1 1 66 66 TYR C C 66 175.641 175.641 175.416 0.225 19684 3775 1 11 . 1 1 66 66 TYR CA C 66 57.121 57.121 56.755 0.366 19684 3776 1 11 . 1 1 66 66 TYR CB C 66 37.682 37.682 38.581 -0.899 19684 3777 1 11 . 1 1 66 66 TYR H H 66 7.919 7.919 7.778 0.141 19684 3778 1 11 . 1 1 67 67 VAL N N 67 108.796 108.796 111.565 -2.769 19684 3779 1 11 . 1 1 67 67 VAL HA H 67 5.441 5.441 4.991 0.450 19684 3780 1 11 . 1 1 67 67 VAL C C 67 173.714 173.714 175.039 -1.325 19684 3781 1 11 . 1 1 67 67 VAL CA C 67 57.990 57.990 58.680 -0.690 19684 3782 1 11 . 1 1 67 67 VAL CB C 67 35.467 35.467 35.713 -0.246 19684 3783 1 11 . 1 1 67 67 VAL H H 67 7.341 7.341 7.370 -0.029 19684 3784 1 11 . 1 1 68 68 LYS N N 68 120.974 120.974 121.934 -0.960 19684 3785 1 11 . 1 1 68 68 LYS HA H 68 4.692 4.692 4.607 0.085 19684 3786 1 11 . 1 1 68 68 LYS C C 68 175.962 175.962 175.598 0.364 19684 3787 1 11 . 1 1 68 68 LYS CA C 68 54.108 54.108 54.564 -0.456 19684 3788 1 11 . 1 1 68 68 LYS CB C 68 35.051 35.051 34.809 0.242 19684 3789 1 11 . 1 1 68 68 LYS H H 68 8.907 8.907 8.377 0.530 19684 3790 1 11 . 1 1 69 69 LEU N N 69 126.343 126.343 128.554 -2.211 19684 3791 1 11 . 1 1 69 69 LEU HA H 69 4.392 4.392 4.415 -0.023 19684 3792 1 11 . 1 1 69 69 LEU C C 69 176.293 176.293 176.997 -0.704 19684 3793 1 11 . 1 1 69 69 LEU CA C 69 55.627 55.627 55.159 0.468 19684 3794 1 11 . 1 1 69 69 LEU CB C 69 41.278 41.278 41.042 0.236 19684 3795 1 11 . 1 1 69 69 LEU H H 69 8.791 8.791 8.679 0.112 19684 3796 1 12 . 1 1 2 2 GLY N N 2 113.935 113.935 113.089 0.846 19684 3797 1 12 . 1 1 2 2 GLY CA C 2 43.362 43.362 45.090 -1.728 19684 3798 1 12 . 1 1 2 2 GLY H H 2 8.251 8.251 8.523 -0.272 19684 3799 1 12 . 1 1 9 9 SER HA H 9 4.375 4.375 4.424 -0.049 19684 3800 1 12 . 1 1 9 9 SER CA C 9 58.422 58.422 58.040 0.382 19684 3801 1 12 . 1 1 9 9 SER CB C 9 63.552 63.552 63.885 -0.333 19684 3802 1 12 . 1 1 10 10 HIS HA H 10 4.622 4.622 4.377 0.245 19684 3803 1 12 . 1 1 10 10 HIS C C 10 174.853 174.853 174.133 0.720 19684 3804 1 12 . 1 1 10 10 HIS CA C 10 55.967 55.967 56.680 -0.713 19684 3805 1 12 . 1 1 10 10 HIS CB C 10 30.242 30.242 28.973 1.269 19684 3806 1 12 . 1 1 11 11 MET N N 11 121.242 121.242 127.244 -6.002 19684 3807 1 12 . 1 1 11 11 MET HA H 11 4.432 4.432 4.472 -0.040 19684 3808 1 12 . 1 1 11 11 MET C C 11 175.804 175.804 174.587 1.217 19684 3809 1 12 . 1 1 11 11 MET CA C 11 55.487 55.487 54.290 1.197 19684 3810 1 12 . 1 1 11 11 MET CB C 11 32.712 32.712 34.728 -2.016 19684 3811 1 12 . 1 1 11 11 MET H H 11 8.210 8.210 7.656 0.554 19684 3812 1 12 . 1 1 12 12 ILE N N 12 122.708 122.708 122.387 0.321 19684 3813 1 12 . 1 1 12 12 ILE HA H 12 4.173 4.173 4.143 0.030 19684 3814 1 12 . 1 1 12 12 ILE C C 12 175.916 175.916 175.154 0.762 19684 3815 1 12 . 1 1 12 12 ILE CA C 12 60.878 60.878 61.363 -0.485 19684 3816 1 12 . 1 1 12 12 ILE CB C 12 38.534 38.534 38.306 0.228 19684 3817 1 12 . 1 1 12 12 ILE H H 12 8.236 8.236 8.041 0.195 19684 3818 1 12 . 1 1 13 13 ARG N N 13 125.079 125.079 121.678 3.401 19684 3819 1 12 . 1 1 13 13 ARG HA H 13 4.472 4.472 4.541 -0.069 19684 3820 1 12 . 1 1 13 13 ARG C C 13 175.573 175.573 175.081 0.492 19684 3821 1 12 . 1 1 13 13 ARG CA C 13 55.645 55.645 54.479 1.166 19684 3822 1 12 . 1 1 13 13 ARG CB C 13 31.256 31.256 32.105 -0.849 19684 3823 1 12 . 1 1 13 13 ARG H H 13 8.386 8.386 8.026 0.360 19684 3824 1 12 . 1 1 14 14 SER N N 14 117.250 117.250 113.601 3.649 19684 3825 1 12 . 1 1 14 14 SER HA H 14 4.441 4.441 4.115 0.326 19684 3826 1 12 . 1 1 14 14 SER C C 14 174.090 174.090 174.453 -0.363 19684 3827 1 12 . 1 1 14 14 SER CA C 14 58.062 58.062 59.151 -1.089 19684 3828 1 12 . 1 1 14 14 SER CB C 14 63.638 63.638 62.589 1.049 19684 3829 1 12 . 1 1 14 14 SER H H 14 8.386 8.386 8.525 -0.139 19684 3830 1 12 . 1 1 15 15 ARG N N 15 123.266 123.266 120.454 2.812 19684 3831 1 12 . 1 1 15 15 ARG HA H 15 4.651 4.651 4.336 0.315 19684 3832 1 12 . 1 1 15 15 ARG C C 15 174.913 174.913 176.119 -1.206 19684 3833 1 12 . 1 1 15 15 ARG CA C 15 54.960 54.960 56.568 -1.608 19684 3834 1 12 . 1 1 15 15 ARG CB C 15 31.574 31.574 31.394 0.180 19684 3835 1 12 . 1 1 15 15 ARG H H 15 8.721 8.721 7.870 0.851 19684 3836 1 12 . 1 1 16 16 LYS N N 16 120.105 120.105 118.529 1.576 19684 3837 1 12 . 1 1 16 16 LYS HA H 16 5.315 5.315 5.200 0.115 19684 3838 1 12 . 1 1 16 16 LYS C C 16 175.755 175.755 175.687 0.068 19684 3839 1 12 . 1 1 16 16 LYS CA C 16 54.926 54.926 55.005 -0.079 19684 3840 1 12 . 1 1 16 16 LYS CB C 16 36.741 36.741 35.461 1.280 19684 3841 1 12 . 1 1 16 16 LYS H H 16 8.406 8.406 7.953 0.453 19684 3842 1 12 . 1 1 17 17 ALA N N 17 118.564 118.564 121.358 -2.794 19684 3843 1 12 . 1 1 17 17 ALA HA H 17 5.256 5.256 5.125 0.131 19684 3844 1 12 . 1 1 17 17 ALA C C 17 173.884 173.884 175.190 -1.306 19684 3845 1 12 . 1 1 17 17 ALA CA C 17 50.673 50.673 51.085 -0.412 19684 3846 1 12 . 1 1 17 17 ALA CB C 17 23.580 23.580 23.204 0.376 19684 3847 1 12 . 1 1 17 17 ALA H H 17 8.310 8.310 8.491 -0.181 19684 3848 1 12 . 1 1 18 18 ARG N N 18 119.872 119.872 123.272 -3.400 19684 3849 1 12 . 1 1 18 18 ARG HA H 18 5.755 5.755 5.007 0.748 19684 3850 1 12 . 1 1 18 18 ARG C C 18 176.196 176.196 175.285 0.911 19684 3851 1 12 . 1 1 18 18 ARG CA C 18 53.023 53.023 54.035 -1.012 19684 3852 1 12 . 1 1 18 18 ARG CB C 18 34.603 34.603 33.458 1.145 19684 3853 1 12 . 1 1 18 18 ARG H H 18 9.008 9.008 8.770 0.238 19684 3854 1 12 . 1 1 19 19 ALA N N 19 127.577 127.577 131.127 -3.550 19684 3855 1 12 . 1 1 19 19 ALA HA H 19 4.828 4.828 4.538 0.290 19684 3856 1 12 . 1 1 19 19 ALA C C 19 178.887 178.887 177.429 1.458 19684 3857 1 12 . 1 1 19 19 ALA CA C 19 53.215 53.215 52.529 0.686 19684 3858 1 12 . 1 1 19 19 ALA CB C 19 21.164 21.164 19.221 1.943 19684 3859 1 12 . 1 1 19 19 ALA H H 19 9.456 9.456 8.843 0.613 19684 3860 1 12 . 1 1 20 20 VAL N N 20 120.989 120.989 121.689 -0.700 19684 3861 1 12 . 1 1 20 20 VAL HA H 20 4.233 4.233 4.303 -0.070 19684 3862 1 12 . 1 1 20 20 VAL C C 20 173.478 173.478 175.120 -1.642 19684 3863 1 12 . 1 1 20 20 VAL CA C 20 61.659 61.659 62.705 -1.046 19684 3864 1 12 . 1 1 20 20 VAL CB C 20 32.406 32.406 32.191 0.215 19684 3865 1 12 . 1 1 20 20 VAL H H 20 9.261 9.261 8.469 0.792 19684 3866 1 12 . 1 1 21 21 TYR N N 21 120.793 120.793 120.319 0.474 19684 3867 1 12 . 1 1 21 21 TYR HA H 21 4.917 4.917 4.949 -0.032 19684 3868 1 12 . 1 1 21 21 TYR C C 21 171.768 171.768 173.742 -1.974 19684 3869 1 12 . 1 1 21 21 TYR CA C 21 54.783 54.783 55.464 -0.681 19684 3870 1 12 . 1 1 21 21 TYR CB C 21 41.028 41.028 39.952 1.076 19684 3871 1 12 . 1 1 21 21 TYR H H 21 7.740 7.740 8.303 -0.563 19684 3872 1 12 . 1 1 22 22 PRO HA H 22 4.569 4.569 4.696 -0.127 19684 3873 1 12 . 1 1 22 22 PRO C C 22 175.447 175.447 175.106 0.341 19684 3874 1 12 . 1 1 22 22 PRO CA C 22 61.784 61.784 61.835 -0.051 19684 3875 1 12 . 1 1 22 22 PRO CB C 22 32.301 32.301 33.145 -0.844 19684 3876 1 12 . 1 1 23 23 CYS N N 23 117.584 117.584 118.703 -1.119 19684 3877 1 12 . 1 1 23 23 CYS HA H 23 4.369 4.369 4.354 0.015 19684 3878 1 12 . 1 1 23 23 CYS C C 23 173.409 173.409 173.627 -0.218 19684 3879 1 12 . 1 1 23 23 CYS CA C 23 58.325 58.325 57.799 0.526 19684 3880 1 12 . 1 1 23 23 CYS CB C 23 30.008 30.008 29.999 0.009 19684 3881 1 12 . 1 1 23 23 CYS H H 23 8.265 8.265 8.311 -0.046 19684 3882 1 12 . 1 1 24 24 GLU N N 24 131.184 131.184 125.880 5.304 19684 3883 1 12 . 1 1 24 24 GLU HA H 24 4.539 4.539 4.280 0.259 19684 3884 1 12 . 1 1 24 24 GLU C C 24 174.814 174.814 175.981 -1.167 19684 3885 1 12 . 1 1 24 24 GLU CA C 24 54.416 54.416 56.110 -1.694 19684 3886 1 12 . 1 1 24 24 GLU CB C 24 30.172 30.172 31.076 -0.904 19684 3887 1 12 . 1 1 24 24 GLU H H 24 8.594 8.594 8.489 0.105 19684 3888 1 12 . 1 1 25 25 ALA N N 25 128.937 128.937 123.930 5.007 19684 3889 1 12 . 1 1 25 25 ALA HA H 25 4.180 4.180 4.548 -0.368 19684 3890 1 12 . 1 1 25 25 ALA C C 25 178.154 178.154 177.670 0.484 19684 3891 1 12 . 1 1 25 25 ALA CA C 25 52.809 52.809 51.304 1.505 19684 3892 1 12 . 1 1 25 25 ALA CB C 25 20.779 20.779 19.512 1.267 19684 3893 1 12 . 1 1 25 25 ALA H H 25 8.555 8.555 8.511 0.044 19684 3894 1 12 . 1 1 26 26 GLU N N 26 119.582 119.582 123.677 -4.095 19684 3895 1 12 . 1 1 26 26 GLU HA H 26 4.268 4.268 4.300 -0.032 19684 3896 1 12 . 1 1 26 26 GLU C C 26 175.916 175.916 176.540 -0.624 19684 3897 1 12 . 1 1 26 26 GLU CA C 26 56.345 56.345 56.740 -0.395 19684 3898 1 12 . 1 1 26 26 GLU CB C 26 31.091 31.091 30.619 0.472 19684 3899 1 12 . 1 1 26 26 GLU H H 26 8.613 8.613 8.876 -0.263 19684 3900 1 12 . 1 1 27 27 HIS N N 27 115.533 115.533 120.219 -4.686 19684 3901 1 12 . 1 1 27 27 HIS C C 27 175.986 175.986 175.174 0.812 19684 3902 1 12 . 1 1 27 27 HIS CA C 27 54.711 54.711 55.499 -0.788 19684 3903 1 12 . 1 1 27 27 HIS CB C 27 32.077 32.077 31.739 0.338 19684 3904 1 12 . 1 1 27 27 HIS H H 27 7.418 7.418 8.438 -1.020 19684 3905 1 12 . 1 1 28 28 SER HA H 28 4.255 4.255 4.469 -0.214 19684 3906 1 12 . 1 1 28 28 SER C C 28 174.619 174.619 174.769 -0.150 19684 3907 1 12 . 1 1 28 28 SER CA C 28 60.985 60.985 58.573 2.412 19684 3908 1 12 . 1 1 28 28 SER CB C 28 62.890 62.890 62.932 -0.042 19684 3909 1 12 . 1 1 29 29 SER N N 29 114.287 114.287 115.565 -1.278 19684 3910 1 12 . 1 1 29 29 SER HA H 29 4.405 4.405 4.563 -0.158 19684 3911 1 12 . 1 1 29 29 SER C C 29 174.305 174.305 174.009 0.296 19684 3912 1 12 . 1 1 29 29 SER CA C 29 58.564 58.564 58.992 -0.428 19684 3913 1 12 . 1 1 29 29 SER CB C 29 62.953 62.953 64.106 -1.153 19684 3914 1 12 . 1 1 29 29 SER H H 29 8.207 8.207 8.494 -0.287 19684 3915 1 12 . 1 1 30 30 GLU N N 30 122.312 122.312 122.308 0.004 19684 3916 1 12 . 1 1 30 30 GLU HA H 30 4.690 4.690 4.575 0.115 19684 3917 1 12 . 1 1 30 30 GLU C C 30 175.373 175.373 176.612 -1.239 19684 3918 1 12 . 1 1 30 30 GLU CA C 30 54.894 54.894 56.306 -1.412 19684 3919 1 12 . 1 1 30 30 GLU CB C 30 31.495 31.495 30.599 0.896 19684 3920 1 12 . 1 1 30 30 GLU H H 30 7.798 7.798 7.594 0.204 19684 3921 1 12 . 1 1 31 31 LEU N N 31 118.829 118.829 125.197 -6.368 19684 3922 1 12 . 1 1 31 31 LEU HA H 31 4.686 4.686 4.630 0.056 19684 3923 1 12 . 1 1 31 31 LEU C C 31 177.013 177.013 176.468 0.545 19684 3924 1 12 . 1 1 31 31 LEU CA C 31 54.627 54.627 54.834 -0.207 19684 3925 1 12 . 1 1 31 31 LEU CB C 31 43.640 43.640 43.057 0.583 19684 3926 1 12 . 1 1 31 31 LEU H H 31 8.084 8.084 8.814 -0.730 19684 3927 1 12 . 1 1 32 32 SER N N 32 115.422 115.422 116.732 -1.310 19684 3928 1 12 . 1 1 32 32 SER HA H 32 4.863 4.863 5.348 -0.485 19684 3929 1 12 . 1 1 32 32 SER C C 32 173.966 173.966 174.258 -0.292 19684 3930 1 12 . 1 1 32 32 SER CA C 32 57.745 57.745 57.218 0.527 19684 3931 1 12 . 1 1 32 32 SER CB C 32 64.735 64.735 64.127 0.607 19684 3932 1 12 . 1 1 32 32 SER H H 32 8.054 8.054 8.416 -0.362 19684 3933 1 12 . 1 1 33 33 PHE N N 33 116.920 116.920 120.285 -3.365 19684 3934 1 12 . 1 1 33 33 PHE HA H 33 4.889 4.889 4.995 -0.106 19684 3935 1 12 . 1 1 33 33 PHE C C 33 173.660 173.660 173.368 0.292 19684 3936 1 12 . 1 1 33 33 PHE CA C 33 56.261 56.261 56.902 -0.641 19684 3937 1 12 . 1 1 33 33 PHE CB C 33 39.272 39.272 41.442 -2.170 19684 3938 1 12 . 1 1 33 33 PHE H H 33 8.697 8.697 8.931 -0.234 19684 3939 1 12 . 1 1 34 34 GLU N N 34 119.852 119.852 118.567 1.285 19684 3940 1 12 . 1 1 34 34 GLU HA H 34 4.622 4.622 4.704 -0.082 19684 3941 1 12 . 1 1 34 34 GLU C C 34 176.044 176.044 175.029 1.015 19684 3942 1 12 . 1 1 34 34 GLU CA C 34 53.759 53.759 54.654 -0.895 19684 3943 1 12 . 1 1 34 34 GLU CB C 34 31.878 31.878 32.459 -0.581 19684 3944 1 12 . 1 1 34 34 GLU H H 34 8.616 8.616 8.993 -0.377 19684 3945 1 12 . 1 1 35 35 ILE N N 35 118.386 118.386 120.401 -2.015 19684 3946 1 12 . 1 1 35 35 ILE HA H 35 3.173 3.173 3.926 -0.753 19684 3947 1 12 . 1 1 35 35 ILE C C 35 177.205 177.205 177.319 -0.114 19684 3948 1 12 . 1 1 35 35 ILE CA C 35 64.926 64.926 63.489 1.437 19684 3949 1 12 . 1 1 35 35 ILE CB C 35 38.013 38.013 36.873 1.140 19684 3950 1 12 . 1 1 35 35 ILE H H 35 8.428 8.428 8.572 -0.144 19684 3951 1 12 . 1 1 36 36 GLY N N 36 114.528 114.528 116.037 -1.509 19684 3952 1 12 . 1 1 36 36 GLY C C 36 173.669 173.669 174.039 -0.370 19684 3953 1 12 . 1 1 36 36 GLY CA C 36 44.601 44.601 44.705 -0.104 19684 3954 1 12 . 1 1 36 36 GLY H H 36 8.568 8.568 8.778 -0.210 19684 3955 1 12 . 1 1 37 37 ALA N N 37 123.910 123.910 125.940 -2.030 19684 3956 1 12 . 1 1 37 37 ALA HA H 37 3.975 3.975 4.143 -0.168 19684 3957 1 12 . 1 1 37 37 ALA C C 37 175.106 175.106 176.743 -1.637 19684 3958 1 12 . 1 1 37 37 ALA CA C 37 53.061 53.061 52.633 0.429 19684 3959 1 12 . 1 1 37 37 ALA CB C 37 19.337 19.337 18.839 0.498 19684 3960 1 12 . 1 1 37 37 ALA H H 37 7.564 7.564 7.692 -0.128 19684 3961 1 12 . 1 1 38 38 ILE N N 38 120.298 120.298 124.417 -4.119 19684 3962 1 12 . 1 1 38 38 ILE HA H 38 4.867 4.867 4.821 0.046 19684 3963 1 12 . 1 1 38 38 ILE C C 38 174.910 174.910 175.556 -0.646 19684 3964 1 12 . 1 1 38 38 ILE CA C 38 58.050 58.050 59.092 -1.042 19684 3965 1 12 . 1 1 38 38 ILE CB C 38 38.080 38.080 37.336 0.744 19684 3966 1 12 . 1 1 38 38 ILE H H 38 7.843 7.843 8.040 -0.197 19684 3967 1 12 . 1 1 39 39 PHE N N 39 124.481 124.481 127.248 -2.767 19684 3968 1 12 . 1 1 39 39 PHE HA H 39 4.889 4.889 5.154 -0.265 19684 3969 1 12 . 1 1 39 39 PHE C C 39 175.106 175.106 175.682 -0.576 19684 3970 1 12 . 1 1 39 39 PHE CA C 39 55.542 55.542 56.165 -0.623 19684 3971 1 12 . 1 1 39 39 PHE CB C 39 42.173 42.173 41.827 0.346 19684 3972 1 12 . 1 1 39 39 PHE H H 39 8.884 8.884 8.932 -0.048 19684 3973 1 12 . 1 1 40 40 GLU N N 40 117.747 117.747 119.103 -1.356 19684 3974 1 12 . 1 1 40 40 GLU HA H 40 4.788 4.788 4.934 -0.146 19684 3975 1 12 . 1 1 40 40 GLU C C 40 175.797 175.797 176.054 -0.257 19684 3976 1 12 . 1 1 40 40 GLU CA C 40 53.945 53.945 55.309 -1.364 19684 3977 1 12 . 1 1 40 40 GLU CB C 40 32.928 32.928 33.710 -0.782 19684 3978 1 12 . 1 1 40 40 GLU H H 40 9.047 9.047 8.653 0.394 19684 3979 1 12 . 1 1 41 41 ASP N N 41 120.461 120.461 119.070 1.391 19684 3980 1 12 . 1 1 41 41 ASP HA H 41 4.331 4.331 4.284 0.047 19684 3981 1 12 . 1 1 41 41 ASP C C 41 175.720 175.720 175.597 0.123 19684 3982 1 12 . 1 1 41 41 ASP CA C 41 54.842 54.842 55.335 -0.493 19684 3983 1 12 . 1 1 41 41 ASP CB C 41 39.241 39.241 40.508 -1.267 19684 3984 1 12 . 1 1 41 41 ASP H H 41 8.875 8.875 8.501 0.374 19684 3985 1 12 . 1 1 42 42 VAL N N 42 120.471 120.471 119.798 0.673 19684 3986 1 12 . 1 1 42 42 VAL HA H 42 4.788 4.788 4.388 0.400 19684 3987 1 12 . 1 1 42 42 VAL C C 42 176.652 176.652 175.547 1.105 19684 3988 1 12 . 1 1 42 42 VAL CA C 42 62.583 62.583 63.689 -1.106 19684 3989 1 12 . 1 1 42 42 VAL CB C 42 31.408 31.408 31.533 -0.125 19684 3990 1 12 . 1 1 42 42 VAL H H 42 8.932 8.932 7.932 1.000 19684 3991 1 12 . 1 1 43 43 GLN N N 43 124.450 124.450 126.888 -2.438 19684 3992 1 12 . 1 1 43 43 GLN HA H 43 4.859 4.859 4.786 0.073 19684 3993 1 12 . 1 1 43 43 GLN C C 43 174.928 174.928 174.768 0.160 19684 3994 1 12 . 1 1 43 43 GLN CA C 43 53.436 53.436 53.970 -0.534 19684 3995 1 12 . 1 1 43 43 GLN CB C 43 33.482 33.482 33.091 0.391 19684 3996 1 12 . 1 1 43 43 GLN H H 43 9.057 9.057 8.953 0.104 19684 3997 1 12 . 1 1 44 44 THR N N 44 116.345 116.345 115.418 0.927 19684 3998 1 12 . 1 1 44 44 THR HA H 44 4.149 4.149 4.500 -0.351 19684 3999 1 12 . 1 1 44 44 THR C C 44 174.138 174.138 174.575 -0.437 19684 4000 1 12 . 1 1 44 44 THR CA C 44 64.288 64.288 62.743 1.545 19684 4001 1 12 . 1 1 44 44 THR CB C 44 69.164 69.164 69.282 -0.118 19684 4002 1 12 . 1 1 44 44 THR H H 44 8.640 8.640 8.362 0.278 19684 4003 1 12 . 1 1 45 45 SER N N 45 119.635 119.635 118.757 0.878 19684 4004 1 12 . 1 1 45 45 SER HA H 45 4.670 4.670 4.809 -0.139 19684 4005 1 12 . 1 1 45 45 SER C C 45 174.304 174.304 175.663 -1.359 19684 4006 1 12 . 1 1 45 45 SER CA C 45 57.064 57.064 57.281 -0.217 19684 4007 1 12 . 1 1 45 45 SER CB C 45 65.275 65.275 64.634 0.641 19684 4008 1 12 . 1 1 45 45 SER H H 45 7.971 7.971 8.339 -0.368 19684 4009 1 12 . 1 1 46 46 ARG N N 46 120.482 120.482 119.189 1.293 19684 4010 1 12 . 1 1 46 46 ARG HA H 46 4.170 4.170 4.211 -0.041 19684 4011 1 12 . 1 1 46 46 ARG C C 46 176.486 176.486 176.281 0.205 19684 4012 1 12 . 1 1 46 46 ARG CA C 46 57.675 57.675 57.440 0.235 19684 4013 1 12 . 1 1 46 46 ARG CB C 46 30.019 30.019 29.857 0.162 19684 4014 1 12 . 1 1 46 46 ARG H H 46 8.491 8.491 8.459 0.032 19684 4015 1 12 . 1 1 47 47 GLU N N 47 121.489 121.489 121.900 -0.411 19684 4016 1 12 . 1 1 47 47 GLU HA H 47 4.820 4.820 4.714 0.106 19684 4017 1 12 . 1 1 47 47 GLU C C 47 173.926 173.926 174.490 -0.564 19684 4018 1 12 . 1 1 47 47 GLU CA C 47 52.716 52.716 53.104 -0.388 19684 4019 1 12 . 1 1 47 47 GLU CB C 47 30.039 30.039 29.896 0.143 19684 4020 1 12 . 1 1 47 47 GLU H H 47 8.530 8.530 7.745 0.785 19684 4021 1 12 . 1 1 48 48 PRO HA H 48 4.363 4.363 4.273 0.090 19684 4022 1 12 . 1 1 48 48 PRO C C 48 177.954 177.954 176.757 1.197 19684 4023 1 12 . 1 1 48 48 PRO CA C 48 63.672 63.672 63.713 -0.041 19684 4024 1 12 . 1 1 48 48 PRO CB C 48 31.798 31.798 30.772 1.026 19684 4025 1 12 . 1 1 49 49 GLY N N 49 110.220 110.220 110.017 0.203 19684 4026 1 12 . 1 1 49 49 GLY C C 49 174.196 174.196 172.897 1.299 19684 4027 1 12 . 1 1 49 49 GLY CA C 49 44.965 44.965 44.948 0.017 19684 4028 1 12 . 1 1 49 49 GLY H H 49 8.660 8.660 8.169 0.491 19684 4029 1 12 . 1 1 50 50 TRP N N 50 120.527 120.527 121.238 -0.711 19684 4030 1 12 . 1 1 50 50 TRP HA H 50 5.098 5.098 5.029 0.069 19684 4031 1 12 . 1 1 50 50 TRP C C 50 175.686 175.686 174.998 0.688 19684 4032 1 12 . 1 1 50 50 TRP CA C 50 56.460 56.460 56.595 -0.135 19684 4033 1 12 . 1 1 50 50 TRP CB C 50 31.745 31.745 32.277 -0.532 19684 4034 1 12 . 1 1 50 50 TRP H H 50 8.025 8.025 7.956 0.069 19684 4035 1 12 . 1 1 51 51 LEU N N 51 123.575 123.575 118.972 4.603 19684 4036 1 12 . 1 1 51 51 LEU HA H 51 4.966 4.966 5.128 -0.162 19684 4037 1 12 . 1 1 51 51 LEU C C 51 175.162 175.162 176.099 -0.937 19684 4038 1 12 . 1 1 51 51 LEU CA C 51 52.643 52.643 53.308 -0.665 19684 4039 1 12 . 1 1 51 51 LEU CB C 51 44.214 44.214 46.034 -1.820 19684 4040 1 12 . 1 1 51 51 LEU H H 51 9.635 9.635 8.774 0.861 19684 4041 1 12 . 1 1 52 52 GLU N N 52 119.825 119.825 119.324 0.501 19684 4042 1 12 . 1 1 52 52 GLU HA H 52 5.180 5.180 5.446 -0.266 19684 4043 1 12 . 1 1 52 52 GLU C C 52 175.082 175.082 175.778 -0.696 19684 4044 1 12 . 1 1 52 52 GLU CA C 52 54.693 54.693 54.966 -0.273 19684 4045 1 12 . 1 1 52 52 GLU CB C 52 32.735 32.735 33.630 -0.895 19684 4046 1 12 . 1 1 52 52 GLU H H 52 9.144 9.144 8.582 0.562 19684 4047 1 12 . 1 1 53 53 GLY N N 53 106.528 106.528 110.949 -4.421 19684 4048 1 12 . 1 1 53 53 GLY C C 53 170.278 170.278 172.225 -1.947 19684 4049 1 12 . 1 1 53 53 GLY CA C 53 45.500 45.500 45.595 -0.095 19684 4050 1 12 . 1 1 53 53 GLY H H 53 8.500 8.500 8.713 -0.213 19684 4051 1 12 . 1 1 54 54 THR N N 54 115.540 115.540 116.255 -0.715 19684 4052 1 12 . 1 1 54 54 THR HA H 54 5.334 5.334 5.107 0.227 19684 4053 1 12 . 1 1 54 54 THR C C 54 173.549 173.549 173.052 0.497 19684 4054 1 12 . 1 1 54 54 THR CA C 54 61.186 61.186 62.260 -1.074 19684 4055 1 12 . 1 1 54 54 THR CB C 54 69.935 69.935 71.008 -1.073 19684 4056 1 12 . 1 1 54 54 THR H H 54 9.085 9.085 8.887 0.198 19684 4057 1 12 . 1 1 55 55 LEU N N 55 128.613 128.613 128.712 -0.099 19684 4058 1 12 . 1 1 55 55 LEU HA H 55 4.842 4.842 4.718 0.124 19684 4059 1 12 . 1 1 55 55 LEU C C 55 176.045 176.045 176.187 -0.142 19684 4060 1 12 . 1 1 55 55 LEU CA C 55 53.387 53.387 53.256 0.131 19684 4061 1 12 . 1 1 55 55 LEU CB C 55 45.579 45.579 43.331 2.248 19684 4062 1 12 . 1 1 55 55 LEU H H 55 9.368 9.368 8.288 1.080 19684 4063 1 12 . 1 1 56 56 ASN N N 56 128.674 128.674 122.828 5.846 19684 4064 1 12 . 1 1 56 56 ASN HA H 56 4.403 4.403 4.327 0.076 19684 4065 1 12 . 1 1 56 56 ASN C C 56 175.457 175.457 175.784 -0.327 19684 4066 1 12 . 1 1 56 56 ASN CA C 56 54.126 54.126 55.306 -1.180 19684 4067 1 12 . 1 1 56 56 ASN CB C 56 37.291 37.291 37.119 0.172 19684 4068 1 12 . 1 1 56 56 ASN H H 56 9.670 9.670 9.024 0.646 19684 4069 1 12 . 1 1 57 57 GLY N N 57 102.683 102.683 106.431 -3.748 19684 4070 1 12 . 1 1 57 57 GLY C C 57 173.175 173.175 172.847 0.328 19684 4071 1 12 . 1 1 57 57 GLY CA C 57 45.263 45.263 45.167 0.096 19684 4072 1 12 . 1 1 57 57 GLY H H 57 8.441 8.441 8.357 0.084 19684 4073 1 12 . 1 1 58 58 LYS N N 58 122.749 122.749 123.339 -0.590 19684 4074 1 12 . 1 1 58 58 LYS HA H 58 4.621 4.621 4.448 0.173 19684 4075 1 12 . 1 1 58 58 LYS C C 58 173.237 173.237 175.380 -2.143 19684 4076 1 12 . 1 1 58 58 LYS CA C 58 54.962 54.962 55.516 -0.554 19684 4077 1 12 . 1 1 58 58 LYS CB C 58 34.303 34.303 33.219 1.084 19684 4078 1 12 . 1 1 58 58 LYS H H 58 7.847 7.847 7.823 0.024 19684 4079 1 12 . 1 1 59 59 ARG N N 59 127.435 127.435 128.476 -1.041 19684 4080 1 12 . 1 1 59 59 ARG HA H 59 5.417 5.417 5.253 0.164 19684 4081 1 12 . 1 1 59 59 ARG C C 59 176.486 176.486 175.864 0.622 19684 4082 1 12 . 1 1 59 59 ARG CA C 59 54.079 54.079 55.181 -1.101 19684 4083 1 12 . 1 1 59 59 ARG CB C 59 31.815 31.815 31.569 0.246 19684 4084 1 12 . 1 1 59 59 ARG H H 59 8.741 8.741 8.656 0.085 19684 4085 1 12 . 1 1 60 60 GLY N N 60 112.447 112.447 112.353 0.094 19684 4086 1 12 . 1 1 60 60 GLY C C 60 170.709 170.709 172.288 -1.579 19684 4087 1 12 . 1 1 60 60 GLY CA C 60 45.648 45.648 45.015 0.633 19684 4088 1 12 . 1 1 60 60 GLY H H 60 8.745 8.745 8.683 0.062 19684 4089 1 12 . 1 1 61 61 LEU N N 61 117.631 117.631 121.289 -3.658 19684 4090 1 12 . 1 1 61 61 LEU HA H 61 5.330 5.330 5.056 0.274 19684 4091 1 12 . 1 1 61 61 LEU C C 61 178.461 178.461 176.705 1.756 19684 4092 1 12 . 1 1 61 61 LEU CA C 61 54.784 54.784 55.288 -0.503 19684 4093 1 12 . 1 1 61 61 LEU CB C 61 44.075 44.075 42.582 1.493 19684 4094 1 12 . 1 1 61 61 LEU H H 61 8.527 8.527 8.159 0.368 19684 4095 1 12 . 1 1 62 62 ILE N N 62 121.463 121.463 122.885 -1.422 19684 4096 1 12 . 1 1 62 62 ILE HA H 62 4.899 4.899 4.766 0.133 19684 4097 1 12 . 1 1 62 62 ILE C C 62 172.776 172.776 173.756 -0.980 19684 4098 1 12 . 1 1 62 62 ILE CA C 62 58.089 58.089 58.087 0.002 19684 4099 1 12 . 1 1 62 62 ILE CB C 62 43.821 43.821 39.822 3.999 19684 4100 1 12 . 1 1 62 62 ILE H H 62 9.387 9.387 8.845 0.542 19684 4101 1 12 . 1 1 63 63 PRO HA H 63 3.610 3.610 4.233 -0.623 19684 4102 1 12 . 1 1 63 63 PRO C C 63 179.007 179.007 177.164 1.843 19684 4103 1 12 . 1 1 63 63 PRO CA C 63 62.475 62.475 62.603 -0.129 19684 4104 1 12 . 1 1 63 63 PRO CB C 63 30.637 30.637 31.666 -1.029 19684 4105 1 12 . 1 1 64 64 GLN N N 64 124.254 124.254 123.657 0.597 19684 4106 1 12 . 1 1 64 64 GLN HA H 64 3.624 3.624 3.878 -0.254 19684 4107 1 12 . 1 1 64 64 GLN C C 64 176.210 176.210 176.497 -0.287 19684 4108 1 12 . 1 1 64 64 GLN CA C 64 58.984 58.984 58.473 0.511 19684 4109 1 12 . 1 1 64 64 GLN CB C 64 28.212 28.212 27.496 0.716 19684 4110 1 12 . 1 1 64 64 GLN H H 64 8.045 8.045 8.511 -0.466 19684 4111 1 12 . 1 1 65 65 ASN N N 65 111.289 111.289 114.983 -3.694 19684 4112 1 12 . 1 1 65 65 ASN HA H 65 4.722 4.722 4.580 0.142 19684 4113 1 12 . 1 1 65 65 ASN C C 65 175.720 175.720 176.484 -0.764 19684 4114 1 12 . 1 1 65 65 ASN CA C 65 53.734 53.734 54.767 -1.033 19684 4115 1 12 . 1 1 65 65 ASN CB C 65 36.735 36.735 38.453 -1.718 19684 4116 1 12 . 1 1 65 65 ASN H H 65 8.543 8.543 7.965 0.578 19684 4117 1 12 . 1 1 66 66 TYR N N 66 118.333 118.333 117.087 1.246 19684 4118 1 12 . 1 1 66 66 TYR HA H 66 4.906 4.906 4.835 0.071 19684 4119 1 12 . 1 1 66 66 TYR C C 66 175.641 175.641 175.319 0.322 19684 4120 1 12 . 1 1 66 66 TYR CA C 66 57.121 57.121 57.567 -0.446 19684 4121 1 12 . 1 1 66 66 TYR CB C 66 37.682 37.682 38.823 -1.141 19684 4122 1 12 . 1 1 66 66 TYR H H 66 7.919 7.919 7.539 0.380 19684 4123 1 12 . 1 1 67 67 VAL N N 67 108.796 108.796 110.426 -1.630 19684 4124 1 12 . 1 1 67 67 VAL HA H 67 5.441 5.441 4.957 0.484 19684 4125 1 12 . 1 1 67 67 VAL C C 67 173.714 173.714 174.559 -0.845 19684 4126 1 12 . 1 1 67 67 VAL CA C 67 57.990 57.990 58.708 -0.718 19684 4127 1 12 . 1 1 67 67 VAL CB C 67 35.467 35.467 34.812 0.655 19684 4128 1 12 . 1 1 67 67 VAL H H 67 7.341 7.341 7.347 -0.006 19684 4129 1 12 . 1 1 68 68 LYS N N 68 120.974 120.974 122.470 -1.496 19684 4130 1 12 . 1 1 68 68 LYS HA H 68 4.692 4.692 4.639 0.053 19684 4131 1 12 . 1 1 68 68 LYS C C 68 175.962 175.962 175.578 0.384 19684 4132 1 12 . 1 1 68 68 LYS CA C 68 54.108 54.108 54.365 -0.257 19684 4133 1 12 . 1 1 68 68 LYS CB C 68 35.051 35.051 35.099 -0.048 19684 4134 1 12 . 1 1 68 68 LYS H H 68 8.907 8.907 8.351 0.556 19684 4135 1 12 . 1 1 69 69 LEU N N 69 126.343 126.343 128.492 -2.149 19684 4136 1 12 . 1 1 69 69 LEU HA H 69 4.392 4.392 4.438 -0.046 19684 4137 1 12 . 1 1 69 69 LEU C C 69 176.293 176.293 176.907 -0.614 19684 4138 1 12 . 1 1 69 69 LEU CA C 69 55.627 55.627 55.185 0.442 19684 4139 1 12 . 1 1 69 69 LEU CB C 69 41.278 41.278 41.214 0.064 19684 4140 1 12 . 1 1 69 69 LEU H H 69 8.791 8.791 8.620 0.171 19684 4141 1 13 . 1 1 2 2 GLY N N 2 113.935 113.935 112.720 1.215 19684 4142 1 13 . 1 1 2 2 GLY CA C 2 43.362 43.362 45.521 -2.159 19684 4143 1 13 . 1 1 2 2 GLY H H 2 8.251 8.251 8.725 -0.474 19684 4144 1 13 . 1 1 9 9 SER HA H 9 4.375 4.375 4.401 -0.026 19684 4145 1 13 . 1 1 9 9 SER CA C 9 58.422 58.422 58.330 0.092 19684 4146 1 13 . 1 1 9 9 SER CB C 9 63.552 63.552 65.026 -1.474 19684 4147 1 13 . 1 1 10 10 HIS HA H 10 4.622 4.622 4.396 0.226 19684 4148 1 13 . 1 1 10 10 HIS C C 10 174.853 174.853 174.082 0.771 19684 4149 1 13 . 1 1 10 10 HIS CA C 10 55.967 55.967 56.786 -0.819 19684 4150 1 13 . 1 1 10 10 HIS CB C 10 30.242 30.242 28.648 1.593 19684 4151 1 13 . 1 1 11 11 MET N N 11 121.242 121.242 120.056 1.186 19684 4152 1 13 . 1 1 11 11 MET HA H 11 4.432 4.432 4.534 -0.102 19684 4153 1 13 . 1 1 11 11 MET C C 11 175.804 175.804 174.947 0.857 19684 4154 1 13 . 1 1 11 11 MET CA C 11 55.487 55.487 55.231 0.256 19684 4155 1 13 . 1 1 11 11 MET CB C 11 32.712 32.712 34.419 -1.707 19684 4156 1 13 . 1 1 11 11 MET H H 11 8.210 8.210 7.987 0.223 19684 4157 1 13 . 1 1 12 12 ILE N N 12 122.708 122.708 123.735 -1.027 19684 4158 1 13 . 1 1 12 12 ILE HA H 12 4.173 4.173 4.095 0.078 19684 4159 1 13 . 1 1 12 12 ILE C C 12 175.916 175.916 175.923 -0.007 19684 4160 1 13 . 1 1 12 12 ILE CA C 12 60.878 60.878 61.514 -0.636 19684 4161 1 13 . 1 1 12 12 ILE CB C 12 38.534 38.534 35.244 3.290 19684 4162 1 13 . 1 1 12 12 ILE H H 12 8.236 8.236 8.338 -0.102 19684 4163 1 13 . 1 1 13 13 ARG N N 13 125.079 125.079 125.358 -0.279 19684 4164 1 13 . 1 1 13 13 ARG HA H 13 4.472 4.472 4.526 -0.054 19684 4165 1 13 . 1 1 13 13 ARG C C 13 175.573 175.573 175.513 0.060 19684 4166 1 13 . 1 1 13 13 ARG CA C 13 55.645 55.645 55.691 -0.046 19684 4167 1 13 . 1 1 13 13 ARG CB C 13 31.256 31.256 30.953 0.303 19684 4168 1 13 . 1 1 13 13 ARG H H 13 8.386 8.386 7.923 0.463 19684 4169 1 13 . 1 1 14 14 SER N N 14 117.250 117.250 115.766 1.484 19684 4170 1 13 . 1 1 14 14 SER HA H 14 4.441 4.441 4.591 -0.150 19684 4171 1 13 . 1 1 14 14 SER C C 14 174.090 174.090 174.116 -0.026 19684 4172 1 13 . 1 1 14 14 SER CA C 14 58.062 58.062 58.409 -0.347 19684 4173 1 13 . 1 1 14 14 SER CB C 14 63.638 63.638 64.211 -0.573 19684 4174 1 13 . 1 1 14 14 SER H H 14 8.386 8.386 7.899 0.487 19684 4175 1 13 . 1 1 15 15 ARG N N 15 123.266 123.266 127.121 -3.855 19684 4176 1 13 . 1 1 15 15 ARG HA H 15 4.651 4.651 4.241 0.410 19684 4177 1 13 . 1 1 15 15 ARG C C 15 174.913 174.913 175.376 -0.463 19684 4178 1 13 . 1 1 15 15 ARG CA C 15 54.960 54.960 56.231 -1.271 19684 4179 1 13 . 1 1 15 15 ARG CB C 15 31.574 31.574 31.001 0.573 19684 4180 1 13 . 1 1 15 15 ARG H H 15 8.721 8.721 8.534 0.187 19684 4181 1 13 . 1 1 16 16 LYS N N 16 120.105 120.105 123.260 -3.155 19684 4182 1 13 . 1 1 16 16 LYS HA H 16 5.315 5.315 5.431 -0.117 19684 4183 1 13 . 1 1 16 16 LYS C C 16 175.755 175.755 175.775 -0.020 19684 4184 1 13 . 1 1 16 16 LYS CA C 16 54.926 54.926 54.703 0.223 19684 4185 1 13 . 1 1 16 16 LYS CB C 16 36.741 36.741 36.501 0.240 19684 4186 1 13 . 1 1 16 16 LYS H H 16 8.406 8.406 8.395 0.011 19684 4187 1 13 . 1 1 17 17 ALA N N 17 118.564 118.564 120.809 -2.245 19684 4188 1 13 . 1 1 17 17 ALA HA H 17 5.256 5.256 5.026 0.230 19684 4189 1 13 . 1 1 17 17 ALA C C 17 173.884 173.884 175.015 -1.131 19684 4190 1 13 . 1 1 17 17 ALA CA C 17 50.673 50.673 51.303 -0.630 19684 4191 1 13 . 1 1 17 17 ALA CB C 17 23.580 23.580 23.332 0.248 19684 4192 1 13 . 1 1 17 17 ALA H H 17 8.310 8.310 8.586 -0.276 19684 4193 1 13 . 1 1 18 18 ARG N N 18 119.872 119.872 121.594 -1.722 19684 4194 1 13 . 1 1 18 18 ARG HA H 18 5.755 5.755 5.174 0.581 19684 4195 1 13 . 1 1 18 18 ARG C C 18 176.196 176.196 175.394 0.802 19684 4196 1 13 . 1 1 18 18 ARG CA C 18 53.023 53.023 54.392 -1.369 19684 4197 1 13 . 1 1 18 18 ARG CB C 18 34.603 34.603 33.976 0.627 19684 4198 1 13 . 1 1 18 18 ARG H H 18 9.008 9.008 8.610 0.398 19684 4199 1 13 . 1 1 19 19 ALA N N 19 127.577 127.577 130.770 -3.193 19684 4200 1 13 . 1 1 19 19 ALA HA H 19 4.828 4.828 4.501 0.327 19684 4201 1 13 . 1 1 19 19 ALA C C 19 178.887 178.887 177.422 1.465 19684 4202 1 13 . 1 1 19 19 ALA CA C 19 53.215 53.215 52.682 0.533 19684 4203 1 13 . 1 1 19 19 ALA CB C 19 21.164 21.164 19.256 1.908 19684 4204 1 13 . 1 1 19 19 ALA H H 19 9.456 9.456 8.716 0.740 19684 4205 1 13 . 1 1 20 20 VAL N N 20 120.989 120.989 121.598 -0.609 19684 4206 1 13 . 1 1 20 20 VAL HA H 20 4.233 4.233 4.276 -0.043 19684 4207 1 13 . 1 1 20 20 VAL C C 20 173.478 173.478 175.227 -1.749 19684 4208 1 13 . 1 1 20 20 VAL CA C 20 61.659 61.659 62.824 -1.165 19684 4209 1 13 . 1 1 20 20 VAL CB C 20 32.406 32.406 31.790 0.616 19684 4210 1 13 . 1 1 20 20 VAL H H 20 9.261 9.261 8.437 0.824 19684 4211 1 13 . 1 1 21 21 TYR N N 21 120.793 120.793 120.056 0.737 19684 4212 1 13 . 1 1 21 21 TYR HA H 21 4.917 4.917 5.069 -0.152 19684 4213 1 13 . 1 1 21 21 TYR C C 21 171.768 171.768 173.801 -2.033 19684 4214 1 13 . 1 1 21 21 TYR CA C 21 54.783 54.783 55.202 -0.419 19684 4215 1 13 . 1 1 21 21 TYR CB C 21 41.028 41.028 39.604 1.424 19684 4216 1 13 . 1 1 21 21 TYR H H 21 7.740 7.740 7.945 -0.205 19684 4217 1 13 . 1 1 22 22 PRO HA H 22 4.569 4.569 4.630 -0.061 19684 4218 1 13 . 1 1 22 22 PRO C C 22 175.447 175.447 175.470 -0.023 19684 4219 1 13 . 1 1 22 22 PRO CA C 22 61.784 61.784 62.442 -0.658 19684 4220 1 13 . 1 1 22 22 PRO CB C 22 32.301 32.301 32.444 -0.143 19684 4221 1 13 . 1 1 23 23 CYS N N 23 117.584 117.584 124.275 -6.691 19684 4222 1 13 . 1 1 23 23 CYS HA H 23 4.369 4.369 4.036 0.333 19684 4223 1 13 . 1 1 23 23 CYS C C 23 173.409 173.409 173.232 0.177 19684 4224 1 13 . 1 1 23 23 CYS CA C 23 58.325 58.325 56.544 1.781 19684 4225 1 13 . 1 1 23 23 CYS CB C 23 30.008 30.008 27.799 2.209 19684 4226 1 13 . 1 1 23 23 CYS H H 23 8.265 8.265 8.329 -0.064 19684 4227 1 13 . 1 1 24 24 GLU N N 24 131.184 131.184 127.667 3.517 19684 4228 1 13 . 1 1 24 24 GLU HA H 24 4.539 4.539 4.195 0.344 19684 4229 1 13 . 1 1 24 24 GLU C C 24 174.814 174.814 175.184 -0.370 19684 4230 1 13 . 1 1 24 24 GLU CA C 24 54.416 54.416 56.483 -2.067 19684 4231 1 13 . 1 1 24 24 GLU CB C 24 30.172 30.172 29.996 0.176 19684 4232 1 13 . 1 1 24 24 GLU H H 24 8.594 8.594 8.475 0.119 19684 4233 1 13 . 1 1 25 25 ALA N N 25 128.937 128.937 128.172 0.765 19684 4234 1 13 . 1 1 25 25 ALA HA H 25 4.180 4.180 4.530 -0.350 19684 4235 1 13 . 1 1 25 25 ALA C C 25 178.154 178.154 177.656 0.498 19684 4236 1 13 . 1 1 25 25 ALA CA C 25 52.809 52.809 51.471 1.338 19684 4237 1 13 . 1 1 25 25 ALA CB C 25 20.779 20.779 20.178 0.601 19684 4238 1 13 . 1 1 25 25 ALA H H 25 8.555 8.555 8.320 0.235 19684 4239 1 13 . 1 1 26 26 GLU N N 26 119.582 119.582 120.965 -1.383 19684 4240 1 13 . 1 1 26 26 GLU HA H 26 4.268 4.268 4.274 -0.006 19684 4241 1 13 . 1 1 26 26 GLU C C 26 175.916 175.916 176.567 -0.651 19684 4242 1 13 . 1 1 26 26 GLU CA C 26 56.345 56.345 57.307 -0.962 19684 4243 1 13 . 1 1 26 26 GLU CB C 26 31.091 31.091 30.003 1.088 19684 4244 1 13 . 1 1 26 26 GLU H H 26 8.613 8.613 8.874 -0.261 19684 4245 1 13 . 1 1 27 27 HIS N N 27 115.533 115.533 117.994 -2.461 19684 4246 1 13 . 1 1 27 27 HIS C C 27 175.986 175.986 174.666 1.320 19684 4247 1 13 . 1 1 27 27 HIS CA C 27 54.711 54.711 54.453 0.258 19684 4248 1 13 . 1 1 27 27 HIS CB C 27 32.077 32.077 31.682 0.395 19684 4249 1 13 . 1 1 27 27 HIS H H 27 7.418 7.418 7.600 -0.182 19684 4250 1 13 . 1 1 28 28 SER HA H 28 4.255 4.255 4.446 -0.191 19684 4251 1 13 . 1 1 28 28 SER C C 28 174.619 174.619 176.046 -1.427 19684 4252 1 13 . 1 1 28 28 SER CA C 28 60.985 60.985 60.242 0.744 19684 4253 1 13 . 1 1 28 28 SER CB C 28 62.890 62.890 63.790 -0.900 19684 4254 1 13 . 1 1 29 29 SER N N 29 114.287 114.287 117.764 -3.477 19684 4255 1 13 . 1 1 29 29 SER HA H 29 4.405 4.405 4.202 0.203 19684 4256 1 13 . 1 1 29 29 SER C C 29 174.305 174.305 174.381 -0.076 19684 4257 1 13 . 1 1 29 29 SER CA C 29 58.564 58.564 61.462 -2.898 19684 4258 1 13 . 1 1 29 29 SER CB C 29 62.953 62.953 63.379 -0.426 19684 4259 1 13 . 1 1 29 29 SER H H 29 8.207 8.207 8.649 -0.442 19684 4260 1 13 . 1 1 30 30 GLU N N 30 122.312 122.312 121.249 1.063 19684 4261 1 13 . 1 1 30 30 GLU HA H 30 4.690 4.690 4.601 0.089 19684 4262 1 13 . 1 1 30 30 GLU C C 30 175.373 175.373 176.210 -0.837 19684 4263 1 13 . 1 1 30 30 GLU CA C 30 54.894 54.894 56.563 -1.669 19684 4264 1 13 . 1 1 30 30 GLU CB C 30 31.495 31.495 29.155 2.340 19684 4265 1 13 . 1 1 30 30 GLU H H 30 7.798 7.798 8.080 -0.282 19684 4266 1 13 . 1 1 31 31 LEU N N 31 118.829 118.829 128.049 -9.220 19684 4267 1 13 . 1 1 31 31 LEU HA H 31 4.686 4.686 4.422 0.264 19684 4268 1 13 . 1 1 31 31 LEU C C 31 177.013 177.013 177.175 -0.162 19684 4269 1 13 . 1 1 31 31 LEU CA C 31 54.627 54.627 55.539 -0.912 19684 4270 1 13 . 1 1 31 31 LEU CB C 31 43.640 43.640 42.205 1.435 19684 4271 1 13 . 1 1 31 31 LEU H H 31 8.084 8.084 8.623 -0.539 19684 4272 1 13 . 1 1 32 32 SER N N 32 115.422 115.422 117.861 -2.439 19684 4273 1 13 . 1 1 32 32 SER HA H 32 4.863 4.863 5.253 -0.390 19684 4274 1 13 . 1 1 32 32 SER C C 32 173.966 173.966 174.297 -0.331 19684 4275 1 13 . 1 1 32 32 SER CA C 32 57.745 57.745 57.542 0.203 19684 4276 1 13 . 1 1 32 32 SER CB C 32 64.735 64.735 64.256 0.479 19684 4277 1 13 . 1 1 32 32 SER H H 32 8.054 8.054 8.498 -0.444 19684 4278 1 13 . 1 1 33 33 PHE N N 33 116.920 116.920 119.287 -2.367 19684 4279 1 13 . 1 1 33 33 PHE HA H 33 4.889 4.889 5.026 -0.137 19684 4280 1 13 . 1 1 33 33 PHE C C 33 173.660 173.660 173.402 0.258 19684 4281 1 13 . 1 1 33 33 PHE CA C 33 56.261 56.261 57.103 -0.842 19684 4282 1 13 . 1 1 33 33 PHE CB C 33 39.272 39.272 40.412 -1.140 19684 4283 1 13 . 1 1 33 33 PHE H H 33 8.697 8.697 8.474 0.223 19684 4284 1 13 . 1 1 34 34 GLU N N 34 119.852 119.852 118.257 1.595 19684 4285 1 13 . 1 1 34 34 GLU HA H 34 4.622 4.622 4.817 -0.196 19684 4286 1 13 . 1 1 34 34 GLU C C 34 176.044 176.044 175.493 0.551 19684 4287 1 13 . 1 1 34 34 GLU CA C 34 53.759 53.759 54.386 -0.627 19684 4288 1 13 . 1 1 34 34 GLU CB C 34 31.878 31.878 33.757 -1.879 19684 4289 1 13 . 1 1 34 34 GLU H H 34 8.616 8.616 8.662 -0.046 19684 4290 1 13 . 1 1 35 35 ILE N N 35 118.386 118.386 120.315 -1.929 19684 4291 1 13 . 1 1 35 35 ILE HA H 35 3.173 3.173 3.917 -0.744 19684 4292 1 13 . 1 1 35 35 ILE C C 35 177.205 177.205 177.803 -0.598 19684 4293 1 13 . 1 1 35 35 ILE CA C 35 64.926 64.926 63.328 1.598 19684 4294 1 13 . 1 1 35 35 ILE CB C 35 38.013 38.013 37.366 0.647 19684 4295 1 13 . 1 1 35 35 ILE H H 35 8.428 8.428 8.615 -0.187 19684 4296 1 13 . 1 1 36 36 GLY N N 36 114.528 114.528 115.289 -0.761 19684 4297 1 13 . 1 1 36 36 GLY C C 36 173.669 173.669 173.999 -0.330 19684 4298 1 13 . 1 1 36 36 GLY CA C 36 44.601 44.601 44.804 -0.203 19684 4299 1 13 . 1 1 36 36 GLY H H 36 8.568 8.568 8.869 -0.301 19684 4300 1 13 . 1 1 37 37 ALA N N 37 123.910 123.910 124.221 -0.311 19684 4301 1 13 . 1 1 37 37 ALA HA H 37 3.975 3.975 4.222 -0.247 19684 4302 1 13 . 1 1 37 37 ALA C C 37 175.106 175.106 176.502 -1.396 19684 4303 1 13 . 1 1 37 37 ALA CA C 37 53.061 53.061 51.410 1.651 19684 4304 1 13 . 1 1 37 37 ALA CB C 37 19.337 19.337 18.697 0.640 19684 4305 1 13 . 1 1 37 37 ALA H H 37 7.564 7.564 7.563 0.001 19684 4306 1 13 . 1 1 38 38 ILE N N 38 120.298 120.298 125.284 -4.986 19684 4307 1 13 . 1 1 38 38 ILE HA H 38 4.867 4.867 4.578 0.289 19684 4308 1 13 . 1 1 38 38 ILE C C 38 174.910 174.910 175.039 -0.129 19684 4309 1 13 . 1 1 38 38 ILE CA C 38 58.050 58.050 58.996 -0.946 19684 4310 1 13 . 1 1 38 38 ILE CB C 38 38.080 38.080 36.835 1.245 19684 4311 1 13 . 1 1 38 38 ILE H H 38 7.843 7.843 7.704 0.139 19684 4312 1 13 . 1 1 39 39 PHE N N 39 124.481 124.481 127.786 -3.305 19684 4313 1 13 . 1 1 39 39 PHE HA H 39 4.889 4.889 5.119 -0.230 19684 4314 1 13 . 1 1 39 39 PHE C C 39 175.106 175.106 175.403 -0.297 19684 4315 1 13 . 1 1 39 39 PHE CA C 39 55.542 55.542 56.047 -0.505 19684 4316 1 13 . 1 1 39 39 PHE CB C 39 42.173 42.173 41.288 0.885 19684 4317 1 13 . 1 1 39 39 PHE H H 39 8.884 8.884 8.651 0.233 19684 4318 1 13 . 1 1 40 40 GLU N N 40 117.747 117.747 121.037 -3.290 19684 4319 1 13 . 1 1 40 40 GLU HA H 40 4.788 4.788 4.649 0.139 19684 4320 1 13 . 1 1 40 40 GLU C C 40 175.797 175.797 175.869 -0.072 19684 4321 1 13 . 1 1 40 40 GLU CA C 40 53.945 53.945 55.308 -1.363 19684 4322 1 13 . 1 1 40 40 GLU CB C 40 32.928 32.928 33.124 -0.196 19684 4323 1 13 . 1 1 40 40 GLU H H 40 9.047 9.047 8.627 0.420 19684 4324 1 13 . 1 1 41 41 ASP N N 41 120.461 120.461 121.935 -1.474 19684 4325 1 13 . 1 1 41 41 ASP HA H 41 4.331 4.331 4.315 0.016 19684 4326 1 13 . 1 1 41 41 ASP C C 41 175.720 175.720 174.802 0.918 19684 4327 1 13 . 1 1 41 41 ASP CA C 41 54.842 54.842 55.151 -0.309 19684 4328 1 13 . 1 1 41 41 ASP CB C 41 39.241 39.241 40.089 -0.848 19684 4329 1 13 . 1 1 41 41 ASP H H 41 8.875 8.875 8.651 0.224 19684 4330 1 13 . 1 1 42 42 VAL N N 42 120.471 120.471 121.219 -0.748 19684 4331 1 13 . 1 1 42 42 VAL HA H 42 4.788 4.788 4.932 -0.144 19684 4332 1 13 . 1 1 42 42 VAL C C 42 176.652 176.652 175.683 0.969 19684 4333 1 13 . 1 1 42 42 VAL CA C 42 62.583 62.583 62.555 0.028 19684 4334 1 13 . 1 1 42 42 VAL CB C 42 31.408 31.408 32.776 -1.368 19684 4335 1 13 . 1 1 42 42 VAL H H 42 8.932 8.932 8.208 0.724 19684 4336 1 13 . 1 1 43 43 GLN N N 43 124.450 124.450 125.294 -0.844 19684 4337 1 13 . 1 1 43 43 GLN HA H 43 4.859 4.859 4.728 0.131 19684 4338 1 13 . 1 1 43 43 GLN C C 43 174.928 174.928 174.958 -0.030 19684 4339 1 13 . 1 1 43 43 GLN CA C 43 53.436 53.436 53.396 0.040 19684 4340 1 13 . 1 1 43 43 GLN CB C 43 33.482 33.482 33.128 0.354 19684 4341 1 13 . 1 1 43 43 GLN H H 43 9.057 9.057 8.859 0.198 19684 4342 1 13 . 1 1 44 44 THR N N 44 116.345 116.345 117.143 -0.798 19684 4343 1 13 . 1 1 44 44 THR HA H 44 4.149 4.149 4.372 -0.223 19684 4344 1 13 . 1 1 44 44 THR C C 44 174.138 174.138 174.510 -0.372 19684 4345 1 13 . 1 1 44 44 THR CA C 44 64.288 64.288 63.540 0.748 19684 4346 1 13 . 1 1 44 44 THR CB C 44 69.164 69.164 69.164 0.000 19684 4347 1 13 . 1 1 44 44 THR H H 44 8.640 8.640 8.477 0.163 19684 4348 1 13 . 1 1 45 45 SER N N 45 119.635 119.635 121.090 -1.455 19684 4349 1 13 . 1 1 45 45 SER HA H 45 4.670 4.670 4.675 -0.005 19684 4350 1 13 . 1 1 45 45 SER C C 45 174.304 174.304 175.675 -1.371 19684 4351 1 13 . 1 1 45 45 SER CA C 45 57.064 57.064 56.404 0.660 19684 4352 1 13 . 1 1 45 45 SER CB C 45 65.275 65.275 64.270 1.005 19684 4353 1 13 . 1 1 45 45 SER H H 45 7.971 7.971 8.312 -0.341 19684 4354 1 13 . 1 1 46 46 ARG N N 46 120.482 120.482 120.524 -0.042 19684 4355 1 13 . 1 1 46 46 ARG HA H 46 4.170 4.170 4.352 -0.182 19684 4356 1 13 . 1 1 46 46 ARG C C 46 176.486 176.486 176.643 -0.157 19684 4357 1 13 . 1 1 46 46 ARG CA C 46 57.675 57.675 57.314 0.361 19684 4358 1 13 . 1 1 46 46 ARG CB C 46 30.019 30.019 30.133 -0.114 19684 4359 1 13 . 1 1 46 46 ARG H H 46 8.491 8.491 8.652 -0.161 19684 4360 1 13 . 1 1 47 47 GLU N N 47 121.489 121.489 122.665 -1.176 19684 4361 1 13 . 1 1 47 47 GLU HA H 47 4.820 4.820 4.444 0.376 19684 4362 1 13 . 1 1 47 47 GLU C C 47 173.926 173.926 174.912 -0.986 19684 4363 1 13 . 1 1 47 47 GLU CA C 47 52.716 52.716 54.096 -1.380 19684 4364 1 13 . 1 1 47 47 GLU CB C 47 30.039 30.039 29.038 1.001 19684 4365 1 13 . 1 1 47 47 GLU H H 47 8.530 8.530 7.759 0.771 19684 4366 1 13 . 1 1 48 48 PRO HA H 48 4.363 4.363 4.436 -0.073 19684 4367 1 13 . 1 1 48 48 PRO C C 48 177.954 177.954 177.065 0.889 19684 4368 1 13 . 1 1 48 48 PRO CA C 48 63.672 63.672 63.522 0.150 19684 4369 1 13 . 1 1 48 48 PRO CB C 48 31.798 31.798 31.923 -0.125 19684 4370 1 13 . 1 1 49 49 GLY N N 49 110.220 110.220 111.512 -1.292 19684 4371 1 13 . 1 1 49 49 GLY C C 49 174.196 174.196 173.734 0.462 19684 4372 1 13 . 1 1 49 49 GLY CA C 49 44.965 44.965 45.105 -0.140 19684 4373 1 13 . 1 1 49 49 GLY H H 49 8.660 8.660 8.639 0.021 19684 4374 1 13 . 1 1 50 50 TRP N N 50 120.527 120.527 120.628 -0.101 19684 4375 1 13 . 1 1 50 50 TRP HA H 50 5.098 5.098 5.474 -0.376 19684 4376 1 13 . 1 1 50 50 TRP C C 50 175.686 175.686 175.684 0.002 19684 4377 1 13 . 1 1 50 50 TRP CA C 50 56.460 56.460 56.463 -0.003 19684 4378 1 13 . 1 1 50 50 TRP CB C 50 31.745 31.745 30.878 0.867 19684 4379 1 13 . 1 1 50 50 TRP H H 50 8.025 8.025 7.586 0.439 19684 4380 1 13 . 1 1 51 51 LEU N N 51 123.575 123.575 120.555 3.020 19684 4381 1 13 . 1 1 51 51 LEU HA H 51 4.966 4.966 5.105 -0.139 19684 4382 1 13 . 1 1 51 51 LEU C C 51 175.162 175.162 175.998 -0.836 19684 4383 1 13 . 1 1 51 51 LEU CA C 51 52.643 52.643 53.311 -0.668 19684 4384 1 13 . 1 1 51 51 LEU CB C 51 44.214 44.214 44.997 -0.783 19684 4385 1 13 . 1 1 51 51 LEU H H 51 9.635 9.635 9.160 0.475 19684 4386 1 13 . 1 1 52 52 GLU N N 52 119.825 119.825 119.607 0.218 19684 4387 1 13 . 1 1 52 52 GLU HA H 52 5.180 5.180 5.621 -0.441 19684 4388 1 13 . 1 1 52 52 GLU C C 52 175.082 175.082 176.244 -1.162 19684 4389 1 13 . 1 1 52 52 GLU CA C 52 54.693 54.693 54.609 0.083 19684 4390 1 13 . 1 1 52 52 GLU CB C 52 32.735 32.735 32.611 0.124 19684 4391 1 13 . 1 1 52 52 GLU H H 52 9.144 9.144 8.731 0.413 19684 4392 1 13 . 1 1 53 53 GLY N N 53 106.528 106.528 110.191 -3.663 19684 4393 1 13 . 1 1 53 53 GLY C C 53 170.278 170.278 172.987 -2.709 19684 4394 1 13 . 1 1 53 53 GLY CA C 53 45.500 45.500 45.236 0.264 19684 4395 1 13 . 1 1 53 53 GLY H H 53 8.500 8.500 7.983 0.517 19684 4396 1 13 . 1 1 54 54 THR N N 54 115.540 115.540 118.702 -3.162 19684 4397 1 13 . 1 1 54 54 THR HA H 54 5.334 5.334 4.715 0.619 19684 4398 1 13 . 1 1 54 54 THR C C 54 173.549 173.549 173.334 0.215 19684 4399 1 13 . 1 1 54 54 THR CA C 54 61.186 61.186 62.735 -1.549 19684 4400 1 13 . 1 1 54 54 THR CB C 54 69.935 69.935 69.628 0.307 19684 4401 1 13 . 1 1 54 54 THR H H 54 9.085 9.085 8.510 0.575 19684 4402 1 13 . 1 1 55 55 LEU N N 55 128.613 128.613 130.474 -1.861 19684 4403 1 13 . 1 1 55 55 LEU HA H 55 4.842 4.842 4.704 0.138 19684 4404 1 13 . 1 1 55 55 LEU C C 55 176.045 176.045 176.114 -0.069 19684 4405 1 13 . 1 1 55 55 LEU CA C 55 53.387 53.387 53.398 -0.011 19684 4406 1 13 . 1 1 55 55 LEU CB C 55 45.579 45.579 43.404 2.175 19684 4407 1 13 . 1 1 55 55 LEU H H 55 9.368 9.368 8.713 0.655 19684 4408 1 13 . 1 1 56 56 ASN N N 56 128.674 128.674 124.947 3.727 19684 4409 1 13 . 1 1 56 56 ASN HA H 56 4.403 4.403 4.446 -0.043 19684 4410 1 13 . 1 1 56 56 ASN C C 56 175.457 175.457 175.330 0.127 19684 4411 1 13 . 1 1 56 56 ASN CA C 56 54.126 54.126 54.111 0.014 19684 4412 1 13 . 1 1 56 56 ASN CB C 56 37.291 37.291 37.066 0.225 19684 4413 1 13 . 1 1 56 56 ASN H H 56 9.670 9.670 9.402 0.268 19684 4414 1 13 . 1 1 57 57 GLY N N 57 102.683 102.683 103.393 -0.710 19684 4415 1 13 . 1 1 57 57 GLY C C 57 173.175 173.175 173.352 -0.177 19684 4416 1 13 . 1 1 57 57 GLY CA C 57 45.263 45.263 44.985 0.278 19684 4417 1 13 . 1 1 57 57 GLY H H 57 8.441 8.441 8.558 -0.117 19684 4418 1 13 . 1 1 58 58 LYS N N 58 122.749 122.749 121.033 1.716 19684 4419 1 13 . 1 1 58 58 LYS HA H 58 4.621 4.621 4.584 0.037 19684 4420 1 13 . 1 1 58 58 LYS C C 58 173.237 173.237 174.920 -1.683 19684 4421 1 13 . 1 1 58 58 LYS CA C 58 54.962 54.962 55.253 -0.291 19684 4422 1 13 . 1 1 58 58 LYS CB C 58 34.303 34.303 34.605 -0.302 19684 4423 1 13 . 1 1 58 58 LYS H H 58 7.847 7.847 7.650 0.197 19684 4424 1 13 . 1 1 59 59 ARG N N 59 127.435 127.435 127.950 -0.515 19684 4425 1 13 . 1 1 59 59 ARG HA H 59 5.417 5.417 5.432 -0.015 19684 4426 1 13 . 1 1 59 59 ARG C C 59 176.486 176.486 175.644 0.842 19684 4427 1 13 . 1 1 59 59 ARG CA C 59 54.079 54.079 55.014 -0.935 19684 4428 1 13 . 1 1 59 59 ARG CB C 59 31.815 31.815 32.935 -1.120 19684 4429 1 13 . 1 1 59 59 ARG H H 59 8.741 8.741 8.750 -0.009 19684 4430 1 13 . 1 1 60 60 GLY N N 60 112.447 112.447 109.842 2.605 19684 4431 1 13 . 1 1 60 60 GLY C C 60 170.709 170.709 172.404 -1.695 19684 4432 1 13 . 1 1 60 60 GLY CA C 60 45.648 45.648 45.064 0.584 19684 4433 1 13 . 1 1 60 60 GLY H H 60 8.745 8.745 7.911 0.834 19684 4434 1 13 . 1 1 61 61 LEU N N 61 117.631 117.631 121.785 -4.154 19684 4435 1 13 . 1 1 61 61 LEU HA H 61 5.330 5.330 4.624 0.706 19684 4436 1 13 . 1 1 61 61 LEU C C 61 178.461 178.461 176.552 1.909 19684 4437 1 13 . 1 1 61 61 LEU CA C 61 54.784 54.784 55.727 -0.943 19684 4438 1 13 . 1 1 61 61 LEU CB C 61 44.075 44.075 42.159 1.916 19684 4439 1 13 . 1 1 61 61 LEU H H 61 8.527 8.527 8.250 0.277 19684 4440 1 13 . 1 1 62 62 ILE N N 62 121.463 121.463 124.775 -3.312 19684 4441 1 13 . 1 1 62 62 ILE HA H 62 4.899 4.899 4.834 0.065 19684 4442 1 13 . 1 1 62 62 ILE C C 62 172.776 172.776 173.688 -0.912 19684 4443 1 13 . 1 1 62 62 ILE CA C 62 58.089 58.089 58.095 -0.006 19684 4444 1 13 . 1 1 62 62 ILE CB C 62 43.821 43.821 40.812 3.009 19684 4445 1 13 . 1 1 62 62 ILE H H 62 9.387 9.387 9.340 0.047 19684 4446 1 13 . 1 1 63 63 PRO HA H 63 3.610 3.610 4.122 -0.512 19684 4447 1 13 . 1 1 63 63 PRO C C 63 179.007 179.007 177.180 1.827 19684 4448 1 13 . 1 1 63 63 PRO CA C 63 62.475 62.475 62.187 0.288 19684 4449 1 13 . 1 1 63 63 PRO CB C 63 30.637 30.637 31.270 -0.633 19684 4450 1 13 . 1 1 64 64 GLN N N 64 124.254 124.254 127.004 -2.750 19684 4451 1 13 . 1 1 64 64 GLN HA H 64 3.624 3.624 3.840 -0.216 19684 4452 1 13 . 1 1 64 64 GLN C C 64 176.210 176.210 177.836 -1.626 19684 4453 1 13 . 1 1 64 64 GLN CA C 64 58.984 58.984 59.263 -0.279 19684 4454 1 13 . 1 1 64 64 GLN CB C 64 28.212 28.212 28.505 -0.292 19684 4455 1 13 . 1 1 64 64 GLN H H 64 8.045 8.045 8.070 -0.025 19684 4456 1 13 . 1 1 65 65 ASN N N 65 111.289 111.289 117.779 -6.490 19684 4457 1 13 . 1 1 65 65 ASN HA H 65 4.722 4.722 4.490 0.232 19684 4458 1 13 . 1 1 65 65 ASN C C 65 175.720 175.720 176.692 -0.972 19684 4459 1 13 . 1 1 65 65 ASN CA C 65 53.734 53.734 55.444 -1.710 19684 4460 1 13 . 1 1 65 65 ASN CB C 65 36.735 36.735 38.093 -1.358 19684 4461 1 13 . 1 1 65 65 ASN H H 65 8.543 8.543 8.516 0.027 19684 4462 1 13 . 1 1 66 66 TYR N N 66 118.333 118.333 115.074 3.259 19684 4463 1 13 . 1 1 66 66 TYR HA H 66 4.906 4.906 4.898 0.008 19684 4464 1 13 . 1 1 66 66 TYR C C 66 175.641 175.641 174.958 0.683 19684 4465 1 13 . 1 1 66 66 TYR CA C 66 57.121 57.121 59.255 -2.134 19684 4466 1 13 . 1 1 66 66 TYR CB C 66 37.682 37.682 39.556 -1.874 19684 4467 1 13 . 1 1 66 66 TYR H H 66 7.919 7.919 7.737 0.182 19684 4468 1 13 . 1 1 67 67 VAL N N 67 108.796 108.796 110.398 -1.602 19684 4469 1 13 . 1 1 67 67 VAL HA H 67 5.441 5.441 4.842 0.599 19684 4470 1 13 . 1 1 67 67 VAL C C 67 173.714 173.714 174.733 -1.019 19684 4471 1 13 . 1 1 67 67 VAL CA C 67 57.990 57.990 58.872 -0.882 19684 4472 1 13 . 1 1 67 67 VAL CB C 67 35.467 35.467 34.804 0.663 19684 4473 1 13 . 1 1 67 67 VAL H H 67 7.341 7.341 7.328 0.013 19684 4474 1 13 . 1 1 68 68 LYS N N 68 120.974 120.974 121.672 -0.698 19684 4475 1 13 . 1 1 68 68 LYS HA H 68 4.692 4.692 4.579 0.113 19684 4476 1 13 . 1 1 68 68 LYS C C 68 175.962 175.962 175.595 0.367 19684 4477 1 13 . 1 1 68 68 LYS CA C 68 54.108 54.108 54.804 -0.696 19684 4478 1 13 . 1 1 68 68 LYS CB C 68 35.051 35.051 35.390 -0.339 19684 4479 1 13 . 1 1 68 68 LYS H H 68 8.907 8.907 8.112 0.795 19684 4480 1 13 . 1 1 69 69 LEU N N 69 126.343 126.343 127.479 -1.136 19684 4481 1 13 . 1 1 69 69 LEU HA H 69 4.392 4.392 4.439 -0.047 19684 4482 1 13 . 1 1 69 69 LEU C C 69 176.293 176.293 177.155 -0.862 19684 4483 1 13 . 1 1 69 69 LEU CA C 69 55.627 55.627 55.600 0.027 19684 4484 1 13 . 1 1 69 69 LEU CB C 69 41.278 41.278 41.386 -0.109 19684 4485 1 13 . 1 1 69 69 LEU H H 69 8.791 8.791 8.681 0.110 19684 4486 1 14 . 1 1 2 2 GLY N N 2 113.935 113.935 108.909 5.026 19684 4487 1 14 . 1 1 2 2 GLY CA C 2 43.362 43.362 45.550 -2.188 19684 4488 1 14 . 1 1 2 2 GLY H H 2 8.251 8.251 8.436 -0.185 19684 4489 1 14 . 1 1 9 9 SER HA H 9 4.375 4.375 4.066 0.309 19684 4490 1 14 . 1 1 9 9 SER CA C 9 58.422 58.422 59.081 -0.659 19684 4491 1 14 . 1 1 9 9 SER CB C 9 63.552 63.552 63.398 0.154 19684 4492 1 14 . 1 1 10 10 HIS HA H 10 4.622 4.622 4.302 0.320 19684 4493 1 14 . 1 1 10 10 HIS C C 10 174.853 174.853 173.656 1.197 19684 4494 1 14 . 1 1 10 10 HIS CA C 10 55.967 55.967 57.096 -1.129 19684 4495 1 14 . 1 1 10 10 HIS CB C 10 30.242 30.242 29.093 1.149 19684 4496 1 14 . 1 1 11 11 MET N N 11 121.242 121.242 118.370 2.872 19684 4497 1 14 . 1 1 11 11 MET HA H 11 4.432 4.432 4.250 0.182 19684 4498 1 14 . 1 1 11 11 MET C C 11 175.804 175.804 176.480 -0.676 19684 4499 1 14 . 1 1 11 11 MET CA C 11 55.487 55.487 55.236 0.251 19684 4500 1 14 . 1 1 11 11 MET CB C 11 32.712 32.712 32.913 -0.201 19684 4501 1 14 . 1 1 11 11 MET H H 11 8.210 8.210 7.507 0.703 19684 4502 1 14 . 1 1 12 12 ILE N N 12 122.708 122.708 124.375 -1.667 19684 4503 1 14 . 1 1 12 12 ILE HA H 12 4.173 4.173 3.894 0.279 19684 4504 1 14 . 1 1 12 12 ILE C C 12 175.916 175.916 175.608 0.308 19684 4505 1 14 . 1 1 12 12 ILE CA C 12 60.878 60.878 61.642 -0.764 19684 4506 1 14 . 1 1 12 12 ILE CB C 12 38.534 38.534 35.877 2.657 19684 4507 1 14 . 1 1 12 12 ILE H H 12 8.236 8.236 8.380 -0.144 19684 4508 1 14 . 1 1 13 13 ARG N N 13 125.079 125.079 129.250 -4.171 19684 4509 1 14 . 1 1 13 13 ARG HA H 13 4.472 4.472 4.567 -0.095 19684 4510 1 14 . 1 1 13 13 ARG C C 13 175.573 175.573 175.284 0.289 19684 4511 1 14 . 1 1 13 13 ARG CA C 13 55.645 55.645 55.987 -0.342 19684 4512 1 14 . 1 1 13 13 ARG CB C 13 31.256 31.256 31.140 0.116 19684 4513 1 14 . 1 1 13 13 ARG H H 13 8.386 8.386 8.225 0.161 19684 4514 1 14 . 1 1 14 14 SER N N 14 117.250 117.250 117.214 0.036 19684 4515 1 14 . 1 1 14 14 SER HA H 14 4.441 4.441 4.450 -0.009 19684 4516 1 14 . 1 1 14 14 SER C C 14 174.090 174.090 174.401 -0.311 19684 4517 1 14 . 1 1 14 14 SER CA C 14 58.062 58.062 58.206 -0.144 19684 4518 1 14 . 1 1 14 14 SER CB C 14 63.638 63.638 63.734 -0.096 19684 4519 1 14 . 1 1 14 14 SER H H 14 8.386 8.386 8.628 -0.242 19684 4520 1 14 . 1 1 15 15 ARG N N 15 123.266 123.266 122.198 1.068 19684 4521 1 14 . 1 1 15 15 ARG HA H 15 4.651 4.651 4.243 0.408 19684 4522 1 14 . 1 1 15 15 ARG C C 15 174.913 174.913 175.516 -0.603 19684 4523 1 14 . 1 1 15 15 ARG CA C 15 54.960 54.960 57.427 -2.467 19684 4524 1 14 . 1 1 15 15 ARG CB C 15 31.574 31.574 31.165 0.409 19684 4525 1 14 . 1 1 15 15 ARG H H 15 8.721 8.721 8.435 0.286 19684 4526 1 14 . 1 1 16 16 LYS N N 16 120.105 120.105 123.779 -3.674 19684 4527 1 14 . 1 1 16 16 LYS HA H 16 5.315 5.315 5.362 -0.047 19684 4528 1 14 . 1 1 16 16 LYS C C 16 175.755 175.755 175.486 0.269 19684 4529 1 14 . 1 1 16 16 LYS CA C 16 54.926 54.926 55.005 -0.079 19684 4530 1 14 . 1 1 16 16 LYS CB C 16 36.741 36.741 35.854 0.887 19684 4531 1 14 . 1 1 16 16 LYS H H 16 8.406 8.406 8.345 0.061 19684 4532 1 14 . 1 1 17 17 ALA N N 17 118.564 118.564 121.106 -2.542 19684 4533 1 14 . 1 1 17 17 ALA HA H 17 5.256 5.256 5.108 0.148 19684 4534 1 14 . 1 1 17 17 ALA C C 17 173.884 173.884 175.208 -1.324 19684 4535 1 14 . 1 1 17 17 ALA CA C 17 50.673 50.673 50.909 -0.236 19684 4536 1 14 . 1 1 17 17 ALA CB C 17 23.580 23.580 23.374 0.206 19684 4537 1 14 . 1 1 17 17 ALA H H 17 8.310 8.310 8.756 -0.446 19684 4538 1 14 . 1 1 18 18 ARG N N 18 119.872 119.872 120.861 -0.989 19684 4539 1 14 . 1 1 18 18 ARG HA H 18 5.755 5.755 5.051 0.704 19684 4540 1 14 . 1 1 18 18 ARG C C 18 176.196 176.196 175.212 0.984 19684 4541 1 14 . 1 1 18 18 ARG CA C 18 53.023 53.023 54.840 -1.817 19684 4542 1 14 . 1 1 18 18 ARG CB C 18 34.603 34.603 34.030 0.573 19684 4543 1 14 . 1 1 18 18 ARG H H 18 9.008 9.008 8.480 0.528 19684 4544 1 14 . 1 1 19 19 ALA N N 19 127.577 127.577 130.437 -2.860 19684 4545 1 14 . 1 1 19 19 ALA HA H 19 4.828 4.828 4.628 0.200 19684 4546 1 14 . 1 1 19 19 ALA C C 19 178.887 178.887 177.664 1.223 19684 4547 1 14 . 1 1 19 19 ALA CA C 19 53.215 53.215 52.632 0.583 19684 4548 1 14 . 1 1 19 19 ALA CB C 19 21.164 21.164 19.112 2.052 19684 4549 1 14 . 1 1 19 19 ALA H H 19 9.456 9.456 8.647 0.809 19684 4550 1 14 . 1 1 20 20 VAL N N 20 120.989 120.989 120.200 0.789 19684 4551 1 14 . 1 1 20 20 VAL HA H 20 4.233 4.233 4.174 0.059 19684 4552 1 14 . 1 1 20 20 VAL C C 20 173.478 173.478 175.183 -1.705 19684 4553 1 14 . 1 1 20 20 VAL CA C 20 61.659 61.659 62.777 -1.118 19684 4554 1 14 . 1 1 20 20 VAL CB C 20 32.406 32.406 32.355 0.051 19684 4555 1 14 . 1 1 20 20 VAL H H 20 9.261 9.261 8.417 0.844 19684 4556 1 14 . 1 1 21 21 TYR N N 21 120.793 120.793 119.236 1.557 19684 4557 1 14 . 1 1 21 21 TYR HA H 21 4.917 4.917 4.880 0.037 19684 4558 1 14 . 1 1 21 21 TYR C C 21 171.768 171.768 173.712 -1.944 19684 4559 1 14 . 1 1 21 21 TYR CA C 21 54.783 54.783 54.814 -0.031 19684 4560 1 14 . 1 1 21 21 TYR CB C 21 41.028 41.028 39.147 1.881 19684 4561 1 14 . 1 1 21 21 TYR H H 21 7.740 7.740 8.023 -0.283 19684 4562 1 14 . 1 1 22 22 PRO HA H 22 4.569 4.569 4.554 0.015 19684 4563 1 14 . 1 1 22 22 PRO C C 22 175.447 175.447 175.647 -0.200 19684 4564 1 14 . 1 1 22 22 PRO CA C 22 61.784 61.784 62.199 -0.415 19684 4565 1 14 . 1 1 22 22 PRO CB C 22 32.301 32.301 33.212 -0.911 19684 4566 1 14 . 1 1 23 23 CYS N N 23 117.584 117.584 120.297 -2.713 19684 4567 1 14 . 1 1 23 23 CYS HA H 23 4.369 4.369 4.633 -0.264 19684 4568 1 14 . 1 1 23 23 CYS C C 23 173.409 173.409 173.383 0.026 19684 4569 1 14 . 1 1 23 23 CYS CA C 23 58.325 58.325 58.489 -0.164 19684 4570 1 14 . 1 1 23 23 CYS CB C 23 30.008 30.008 28.804 1.204 19684 4571 1 14 . 1 1 23 23 CYS H H 23 8.265 8.265 8.610 -0.345 19684 4572 1 14 . 1 1 24 24 GLU N N 24 131.184 131.184 127.672 3.512 19684 4573 1 14 . 1 1 24 24 GLU HA H 24 4.539 4.539 4.323 0.216 19684 4574 1 14 . 1 1 24 24 GLU C C 24 174.814 174.814 175.565 -0.751 19684 4575 1 14 . 1 1 24 24 GLU CA C 24 54.416 54.416 55.792 -1.376 19684 4576 1 14 . 1 1 24 24 GLU CB C 24 30.172 30.172 29.351 0.821 19684 4577 1 14 . 1 1 24 24 GLU H H 24 8.594 8.594 8.552 0.042 19684 4578 1 14 . 1 1 25 25 ALA N N 25 128.937 128.937 129.538 -0.601 19684 4579 1 14 . 1 1 25 25 ALA HA H 25 4.180 4.180 4.238 -0.058 19684 4580 1 14 . 1 1 25 25 ALA C C 25 178.154 178.154 178.218 -0.064 19684 4581 1 14 . 1 1 25 25 ALA CA C 25 52.809 52.809 52.802 0.007 19684 4582 1 14 . 1 1 25 25 ALA CB C 25 20.779 20.779 19.290 1.490 19684 4583 1 14 . 1 1 25 25 ALA H H 25 8.555 8.555 8.281 0.274 19684 4584 1 14 . 1 1 26 26 GLU N N 26 119.582 119.582 123.076 -3.494 19684 4585 1 14 . 1 1 26 26 GLU HA H 26 4.268 4.268 4.138 0.130 19684 4586 1 14 . 1 1 26 26 GLU C C 26 175.916 175.916 176.713 -0.797 19684 4587 1 14 . 1 1 26 26 GLU CA C 26 56.345 56.345 57.707 -1.362 19684 4588 1 14 . 1 1 26 26 GLU CB C 26 31.091 31.091 29.967 1.124 19684 4589 1 14 . 1 1 26 26 GLU H H 26 8.613 8.613 8.995 -0.382 19684 4590 1 14 . 1 1 27 27 HIS N N 27 115.533 115.533 117.952 -2.419 19684 4591 1 14 . 1 1 27 27 HIS C C 27 175.986 175.986 174.927 1.059 19684 4592 1 14 . 1 1 27 27 HIS CA C 27 54.711 54.711 55.008 -0.298 19684 4593 1 14 . 1 1 27 27 HIS CB C 27 32.077 32.077 31.671 0.406 19684 4594 1 14 . 1 1 27 27 HIS H H 27 7.418 7.418 8.050 -0.632 19684 4595 1 14 . 1 1 28 28 SER HA H 28 4.255 4.255 4.438 -0.183 19684 4596 1 14 . 1 1 28 28 SER C C 28 174.619 174.619 175.724 -1.105 19684 4597 1 14 . 1 1 28 28 SER CA C 28 60.985 60.985 60.178 0.807 19684 4598 1 14 . 1 1 28 28 SER CB C 28 62.890 62.890 64.159 -1.270 19684 4599 1 14 . 1 1 29 29 SER N N 29 114.287 114.287 117.836 -3.549 19684 4600 1 14 . 1 1 29 29 SER HA H 29 4.405 4.405 4.244 0.161 19684 4601 1 14 . 1 1 29 29 SER C C 29 174.305 174.305 174.668 -0.363 19684 4602 1 14 . 1 1 29 29 SER CA C 29 58.564 58.564 60.981 -2.417 19684 4603 1 14 . 1 1 29 29 SER CB C 29 62.953 62.953 63.501 -0.548 19684 4604 1 14 . 1 1 29 29 SER H H 29 8.207 8.207 8.591 -0.384 19684 4605 1 14 . 1 1 30 30 GLU N N 30 122.312 122.312 120.526 1.786 19684 4606 1 14 . 1 1 30 30 GLU HA H 30 4.690 4.690 4.562 0.128 19684 4607 1 14 . 1 1 30 30 GLU C C 30 175.373 175.373 176.198 -0.825 19684 4608 1 14 . 1 1 30 30 GLU CA C 30 54.894 54.894 56.794 -1.901 19684 4609 1 14 . 1 1 30 30 GLU CB C 30 31.495 31.495 30.141 1.354 19684 4610 1 14 . 1 1 30 30 GLU H H 30 7.798 7.798 7.876 -0.078 19684 4611 1 14 . 1 1 31 31 LEU N N 31 118.829 118.829 125.688 -6.859 19684 4612 1 14 . 1 1 31 31 LEU HA H 31 4.686 4.686 4.663 0.023 19684 4613 1 14 . 1 1 31 31 LEU C C 31 177.013 177.013 177.093 -0.080 19684 4614 1 14 . 1 1 31 31 LEU CA C 31 54.627 54.627 54.692 -0.065 19684 4615 1 14 . 1 1 31 31 LEU CB C 31 43.640 43.640 43.138 0.502 19684 4616 1 14 . 1 1 31 31 LEU H H 31 8.084 8.084 8.648 -0.564 19684 4617 1 14 . 1 1 32 32 SER N N 32 115.422 115.422 118.049 -2.627 19684 4618 1 14 . 1 1 32 32 SER HA H 32 4.863 4.863 5.470 -0.607 19684 4619 1 14 . 1 1 32 32 SER C C 32 173.966 173.966 174.512 -0.546 19684 4620 1 14 . 1 1 32 32 SER CA C 32 57.745 57.745 57.809 -0.064 19684 4621 1 14 . 1 1 32 32 SER CB C 32 64.735 64.735 64.285 0.450 19684 4622 1 14 . 1 1 32 32 SER H H 32 8.054 8.054 8.625 -0.571 19684 4623 1 14 . 1 1 33 33 PHE N N 33 116.920 116.920 120.875 -3.955 19684 4624 1 14 . 1 1 33 33 PHE HA H 33 4.889 4.889 4.947 -0.058 19684 4625 1 14 . 1 1 33 33 PHE C C 33 173.660 173.660 173.009 0.651 19684 4626 1 14 . 1 1 33 33 PHE CA C 33 56.261 56.261 57.092 -0.831 19684 4627 1 14 . 1 1 33 33 PHE CB C 33 39.272 39.272 40.449 -1.177 19684 4628 1 14 . 1 1 33 33 PHE H H 33 8.697 8.697 8.658 0.039 19684 4629 1 14 . 1 1 34 34 GLU N N 34 119.852 119.852 118.619 1.233 19684 4630 1 14 . 1 1 34 34 GLU HA H 34 4.622 4.622 4.855 -0.233 19684 4631 1 14 . 1 1 34 34 GLU C C 34 176.044 176.044 175.652 0.392 19684 4632 1 14 . 1 1 34 34 GLU CA C 34 53.759 53.759 54.138 -0.379 19684 4633 1 14 . 1 1 34 34 GLU CB C 34 31.878 31.878 33.681 -1.803 19684 4634 1 14 . 1 1 34 34 GLU H H 34 8.616 8.616 8.709 -0.093 19684 4635 1 14 . 1 1 35 35 ILE N N 35 118.386 118.386 121.231 -2.845 19684 4636 1 14 . 1 1 35 35 ILE HA H 35 3.173 3.173 3.783 -0.610 19684 4637 1 14 . 1 1 35 35 ILE C C 35 177.205 177.205 177.199 0.006 19684 4638 1 14 . 1 1 35 35 ILE CA C 35 64.926 64.926 63.322 1.604 19684 4639 1 14 . 1 1 35 35 ILE CB C 35 38.013 38.013 36.469 1.544 19684 4640 1 14 . 1 1 35 35 ILE H H 35 8.428 8.428 8.698 -0.270 19684 4641 1 14 . 1 1 36 36 GLY N N 36 114.528 114.528 115.654 -1.126 19684 4642 1 14 . 1 1 36 36 GLY C C 36 173.669 173.669 173.863 -0.194 19684 4643 1 14 . 1 1 36 36 GLY CA C 36 44.601 44.601 44.756 -0.155 19684 4644 1 14 . 1 1 36 36 GLY H H 36 8.568 8.568 8.525 0.043 19684 4645 1 14 . 1 1 37 37 ALA N N 37 123.910 123.910 125.433 -1.523 19684 4646 1 14 . 1 1 37 37 ALA HA H 37 3.975 3.975 4.139 -0.164 19684 4647 1 14 . 1 1 37 37 ALA C C 37 175.106 175.106 176.793 -1.687 19684 4648 1 14 . 1 1 37 37 ALA CA C 37 53.061 53.061 52.266 0.795 19684 4649 1 14 . 1 1 37 37 ALA CB C 37 19.337 19.337 18.648 0.689 19684 4650 1 14 . 1 1 37 37 ALA H H 37 7.564 7.564 7.876 -0.312 19684 4651 1 14 . 1 1 38 38 ILE N N 38 120.298 120.298 125.518 -5.220 19684 4652 1 14 . 1 1 38 38 ILE HA H 38 4.867 4.867 4.396 0.471 19684 4653 1 14 . 1 1 38 38 ILE C C 38 174.910 174.910 175.113 -0.203 19684 4654 1 14 . 1 1 38 38 ILE CA C 38 58.050 58.050 59.371 -1.321 19684 4655 1 14 . 1 1 38 38 ILE CB C 38 38.080 38.080 36.451 1.629 19684 4656 1 14 . 1 1 38 38 ILE H H 38 7.843 7.843 7.900 -0.057 19684 4657 1 14 . 1 1 39 39 PHE N N 39 124.481 124.481 127.890 -3.409 19684 4658 1 14 . 1 1 39 39 PHE HA H 39 4.889 4.889 5.241 -0.352 19684 4659 1 14 . 1 1 39 39 PHE C C 39 175.106 175.106 175.656 -0.550 19684 4660 1 14 . 1 1 39 39 PHE CA C 39 55.542 55.542 56.312 -0.770 19684 4661 1 14 . 1 1 39 39 PHE CB C 39 42.173 42.173 41.440 0.733 19684 4662 1 14 . 1 1 39 39 PHE H H 39 8.884 8.884 8.488 0.396 19684 4663 1 14 . 1 1 40 40 GLU N N 40 117.747 117.747 119.902 -2.155 19684 4664 1 14 . 1 1 40 40 GLU HA H 40 4.788 4.788 4.939 -0.151 19684 4665 1 14 . 1 1 40 40 GLU C C 40 175.797 175.797 175.940 -0.143 19684 4666 1 14 . 1 1 40 40 GLU CA C 40 53.945 53.945 55.193 -1.248 19684 4667 1 14 . 1 1 40 40 GLU CB C 40 32.928 32.928 33.882 -0.954 19684 4668 1 14 . 1 1 40 40 GLU H H 40 9.047 9.047 8.298 0.749 19684 4669 1 14 . 1 1 41 41 ASP N N 41 120.461 120.461 121.511 -1.050 19684 4670 1 14 . 1 1 41 41 ASP HA H 41 4.331 4.331 4.235 0.096 19684 4671 1 14 . 1 1 41 41 ASP C C 41 175.720 175.720 174.854 0.866 19684 4672 1 14 . 1 1 41 41 ASP CA C 41 54.842 54.842 55.001 -0.159 19684 4673 1 14 . 1 1 41 41 ASP CB C 41 39.241 39.241 40.248 -1.007 19684 4674 1 14 . 1 1 41 41 ASP H H 41 8.875 8.875 8.529 0.346 19684 4675 1 14 . 1 1 42 42 VAL N N 42 120.471 120.471 119.480 0.991 19684 4676 1 14 . 1 1 42 42 VAL HA H 42 4.788 4.788 4.149 0.639 19684 4677 1 14 . 1 1 42 42 VAL C C 42 176.652 176.652 175.702 0.950 19684 4678 1 14 . 1 1 42 42 VAL CA C 42 62.583 62.583 64.047 -1.464 19684 4679 1 14 . 1 1 42 42 VAL CB C 42 31.408 31.408 31.666 -0.258 19684 4680 1 14 . 1 1 42 42 VAL H H 42 8.932 8.932 7.899 1.033 19684 4681 1 14 . 1 1 43 43 GLN N N 43 124.450 124.450 126.791 -2.341 19684 4682 1 14 . 1 1 43 43 GLN HA H 43 4.859 4.859 4.772 0.087 19684 4683 1 14 . 1 1 43 43 GLN C C 43 174.928 174.928 175.538 -0.610 19684 4684 1 14 . 1 1 43 43 GLN CA C 43 53.436 53.436 53.138 0.298 19684 4685 1 14 . 1 1 43 43 GLN CB C 43 33.482 33.482 31.996 1.486 19684 4686 1 14 . 1 1 43 43 GLN H H 43 9.057 9.057 8.722 0.335 19684 4687 1 14 . 1 1 44 44 THR N N 44 116.345 116.345 116.187 0.158 19684 4688 1 14 . 1 1 44 44 THR HA H 44 4.149 4.149 4.520 -0.371 19684 4689 1 14 . 1 1 44 44 THR C C 44 174.138 174.138 174.148 -0.010 19684 4690 1 14 . 1 1 44 44 THR CA C 44 64.288 64.288 61.533 2.755 19684 4691 1 14 . 1 1 44 44 THR CB C 44 69.164 69.164 69.906 -0.742 19684 4692 1 14 . 1 1 44 44 THR H H 44 8.640 8.640 8.359 0.281 19684 4693 1 14 . 1 1 45 45 SER N N 45 119.635 119.635 121.465 -1.830 19684 4694 1 14 . 1 1 45 45 SER HA H 45 4.670 4.670 4.654 0.016 19684 4695 1 14 . 1 1 45 45 SER C C 45 174.304 174.304 176.165 -1.861 19684 4696 1 14 . 1 1 45 45 SER CA C 45 57.064 57.064 57.092 -0.028 19684 4697 1 14 . 1 1 45 45 SER CB C 45 65.275 65.275 64.394 0.881 19684 4698 1 14 . 1 1 45 45 SER H H 45 7.971 7.971 8.570 -0.599 19684 4699 1 14 . 1 1 46 46 ARG N N 46 120.482 120.482 120.944 -0.462 19684 4700 1 14 . 1 1 46 46 ARG HA H 46 4.170 4.170 4.271 -0.101 19684 4701 1 14 . 1 1 46 46 ARG C C 46 176.486 176.486 176.506 -0.020 19684 4702 1 14 . 1 1 46 46 ARG CA C 46 57.675 57.675 57.493 0.181 19684 4703 1 14 . 1 1 46 46 ARG CB C 46 30.019 30.019 30.072 -0.053 19684 4704 1 14 . 1 1 46 46 ARG H H 46 8.491 8.491 8.681 -0.190 19684 4705 1 14 . 1 1 47 47 GLU N N 47 121.489 121.489 121.422 0.067 19684 4706 1 14 . 1 1 47 47 GLU HA H 47 4.820 4.820 4.633 0.187 19684 4707 1 14 . 1 1 47 47 GLU C C 47 173.926 173.926 174.791 -0.865 19684 4708 1 14 . 1 1 47 47 GLU CA C 47 52.716 52.716 53.391 -0.675 19684 4709 1 14 . 1 1 47 47 GLU CB C 47 30.039 30.039 29.581 0.458 19684 4710 1 14 . 1 1 47 47 GLU H H 47 8.530 8.530 7.722 0.808 19684 4711 1 14 . 1 1 48 48 PRO HA H 48 4.363 4.363 4.425 -0.062 19684 4712 1 14 . 1 1 48 48 PRO C C 48 177.954 177.954 177.092 0.862 19684 4713 1 14 . 1 1 48 48 PRO CA C 48 63.672 63.672 63.617 0.055 19684 4714 1 14 . 1 1 48 48 PRO CB C 48 31.798 31.798 31.852 -0.054 19684 4715 1 14 . 1 1 49 49 GLY N N 49 110.220 110.220 110.885 -0.665 19684 4716 1 14 . 1 1 49 49 GLY C C 49 174.196 174.196 173.555 0.641 19684 4717 1 14 . 1 1 49 49 GLY CA C 49 44.965 44.965 44.939 0.026 19684 4718 1 14 . 1 1 49 49 GLY H H 49 8.660 8.660 8.653 0.007 19684 4719 1 14 . 1 1 50 50 TRP N N 50 120.527 120.527 121.128 -0.601 19684 4720 1 14 . 1 1 50 50 TRP HA H 50 5.098 5.098 5.509 -0.411 19684 4721 1 14 . 1 1 50 50 TRP C C 50 175.686 175.686 175.671 0.015 19684 4722 1 14 . 1 1 50 50 TRP CA C 50 56.460 56.460 56.063 0.397 19684 4723 1 14 . 1 1 50 50 TRP CB C 50 31.745 31.745 30.744 1.002 19684 4724 1 14 . 1 1 50 50 TRP H H 50 8.025 8.025 7.435 0.590 19684 4725 1 14 . 1 1 51 51 LEU N N 51 123.575 123.575 122.814 0.761 19684 4726 1 14 . 1 1 51 51 LEU HA H 51 4.966 4.966 4.944 0.022 19684 4727 1 14 . 1 1 51 51 LEU C C 51 175.162 175.162 175.772 -0.610 19684 4728 1 14 . 1 1 51 51 LEU CA C 51 52.643 52.643 53.371 -0.728 19684 4729 1 14 . 1 1 51 51 LEU CB C 51 44.214 44.214 45.235 -1.021 19684 4730 1 14 . 1 1 51 51 LEU H H 51 9.635 9.635 9.038 0.597 19684 4731 1 14 . 1 1 52 52 GLU N N 52 119.825 119.825 119.661 0.164 19684 4732 1 14 . 1 1 52 52 GLU HA H 52 5.180 5.180 5.522 -0.342 19684 4733 1 14 . 1 1 52 52 GLU C C 52 175.082 175.082 175.992 -0.910 19684 4734 1 14 . 1 1 52 52 GLU CA C 52 54.693 54.693 54.862 -0.169 19684 4735 1 14 . 1 1 52 52 GLU CB C 52 32.735 32.735 33.058 -0.323 19684 4736 1 14 . 1 1 52 52 GLU H H 52 9.144 9.144 8.415 0.729 19684 4737 1 14 . 1 1 53 53 GLY N N 53 106.528 106.528 111.459 -4.931 19684 4738 1 14 . 1 1 53 53 GLY C C 53 170.278 170.278 172.967 -2.689 19684 4739 1 14 . 1 1 53 53 GLY CA C 53 45.500 45.500 44.615 0.885 19684 4740 1 14 . 1 1 53 53 GLY H H 53 8.500 8.500 8.022 0.478 19684 4741 1 14 . 1 1 54 54 THR N N 54 115.540 115.540 118.635 -3.095 19684 4742 1 14 . 1 1 54 54 THR HA H 54 5.334 5.334 4.566 0.768 19684 4743 1 14 . 1 1 54 54 THR C C 54 173.549 173.549 173.168 0.381 19684 4744 1 14 . 1 1 54 54 THR CA C 54 61.186 61.186 63.225 -2.039 19684 4745 1 14 . 1 1 54 54 THR CB C 54 69.935 69.935 69.923 0.012 19684 4746 1 14 . 1 1 54 54 THR H H 54 9.085 9.085 8.605 0.480 19684 4747 1 14 . 1 1 55 55 LEU N N 55 128.613 128.613 127.605 1.008 19684 4748 1 14 . 1 1 55 55 LEU HA H 55 4.842 4.842 4.607 0.235 19684 4749 1 14 . 1 1 55 55 LEU C C 55 176.045 176.045 175.521 0.524 19684 4750 1 14 . 1 1 55 55 LEU CA C 55 53.387 53.387 54.593 -1.206 19684 4751 1 14 . 1 1 55 55 LEU CB C 55 45.579 45.579 45.076 0.503 19684 4752 1 14 . 1 1 55 55 LEU H H 55 9.368 9.368 8.733 0.635 19684 4753 1 14 . 1 1 56 56 ASN N N 56 128.674 128.674 125.269 3.405 19684 4754 1 14 . 1 1 56 56 ASN HA H 56 4.403 4.403 4.371 0.032 19684 4755 1 14 . 1 1 56 56 ASN C C 56 175.457 175.457 175.590 -0.133 19684 4756 1 14 . 1 1 56 56 ASN CA C 56 54.126 54.126 54.213 -0.087 19684 4757 1 14 . 1 1 56 56 ASN CB C 56 37.291 37.291 37.196 0.095 19684 4758 1 14 . 1 1 56 56 ASN H H 56 9.670 9.670 9.355 0.315 19684 4759 1 14 . 1 1 57 57 GLY N N 57 102.683 102.683 104.120 -1.437 19684 4760 1 14 . 1 1 57 57 GLY C C 57 173.175 173.175 173.362 -0.187 19684 4761 1 14 . 1 1 57 57 GLY CA C 57 45.263 45.263 45.174 0.089 19684 4762 1 14 . 1 1 57 57 GLY H H 57 8.441 8.441 8.466 -0.025 19684 4763 1 14 . 1 1 58 58 LYS N N 58 122.749 122.749 120.791 1.958 19684 4764 1 14 . 1 1 58 58 LYS HA H 58 4.621 4.621 4.576 0.045 19684 4765 1 14 . 1 1 58 58 LYS C C 58 173.237 173.237 174.908 -1.671 19684 4766 1 14 . 1 1 58 58 LYS CA C 58 54.962 54.962 55.090 -0.128 19684 4767 1 14 . 1 1 58 58 LYS CB C 58 34.303 34.303 34.886 -0.583 19684 4768 1 14 . 1 1 58 58 LYS H H 58 7.847 7.847 7.644 0.203 19684 4769 1 14 . 1 1 59 59 ARG N N 59 127.435 127.435 128.232 -0.797 19684 4770 1 14 . 1 1 59 59 ARG HA H 59 5.417 5.417 5.468 -0.051 19684 4771 1 14 . 1 1 59 59 ARG C C 59 176.486 176.486 175.534 0.952 19684 4772 1 14 . 1 1 59 59 ARG CA C 59 54.079 54.079 55.197 -1.118 19684 4773 1 14 . 1 1 59 59 ARG CB C 59 31.815 31.815 32.627 -0.812 19684 4774 1 14 . 1 1 59 59 ARG H H 59 8.741 8.741 8.728 0.013 19684 4775 1 14 . 1 1 60 60 GLY N N 60 112.447 112.447 110.435 2.012 19684 4776 1 14 . 1 1 60 60 GLY C C 60 170.709 170.709 172.387 -1.678 19684 4777 1 14 . 1 1 60 60 GLY CA C 60 45.648 45.648 44.904 0.744 19684 4778 1 14 . 1 1 60 60 GLY H H 60 8.745 8.745 7.957 0.788 19684 4779 1 14 . 1 1 61 61 LEU N N 61 117.631 117.631 121.361 -3.730 19684 4780 1 14 . 1 1 61 61 LEU HA H 61 5.330 5.330 4.721 0.609 19684 4781 1 14 . 1 1 61 61 LEU C C 61 178.461 178.461 176.676 1.785 19684 4782 1 14 . 1 1 61 61 LEU CA C 61 54.784 54.784 55.608 -0.824 19684 4783 1 14 . 1 1 61 61 LEU CB C 61 44.075 44.075 42.303 1.772 19684 4784 1 14 . 1 1 61 61 LEU H H 61 8.527 8.527 8.137 0.390 19684 4785 1 14 . 1 1 62 62 ILE N N 62 121.463 121.463 124.079 -2.616 19684 4786 1 14 . 1 1 62 62 ILE HA H 62 4.899 4.899 4.806 0.093 19684 4787 1 14 . 1 1 62 62 ILE C C 62 172.776 172.776 173.770 -0.994 19684 4788 1 14 . 1 1 62 62 ILE CA C 62 58.089 58.089 58.038 0.051 19684 4789 1 14 . 1 1 62 62 ILE CB C 62 43.821 43.821 40.653 3.168 19684 4790 1 14 . 1 1 62 62 ILE H H 62 9.387 9.387 9.329 0.058 19684 4791 1 14 . 1 1 63 63 PRO HA H 63 3.610 3.610 3.735 -0.125 19684 4792 1 14 . 1 1 63 63 PRO C C 63 179.007 179.007 177.438 1.569 19684 4793 1 14 . 1 1 63 63 PRO CA C 63 62.475 62.475 62.357 0.118 19684 4794 1 14 . 1 1 63 63 PRO CB C 63 30.637 30.637 30.548 0.089 19684 4795 1 14 . 1 1 64 64 GLN N N 64 124.254 124.254 126.961 -2.707 19684 4796 1 14 . 1 1 64 64 GLN HA H 64 3.624 3.624 3.764 -0.140 19684 4797 1 14 . 1 1 64 64 GLN C C 64 176.210 176.210 177.809 -1.599 19684 4798 1 14 . 1 1 64 64 GLN CA C 64 58.984 58.984 59.319 -0.335 19684 4799 1 14 . 1 1 64 64 GLN CB C 64 28.212 28.212 28.431 -0.219 19684 4800 1 14 . 1 1 64 64 GLN H H 64 8.045 8.045 8.263 -0.218 19684 4801 1 14 . 1 1 65 65 ASN N N 65 111.289 111.289 117.218 -5.929 19684 4802 1 14 . 1 1 65 65 ASN HA H 65 4.722 4.722 4.632 0.090 19684 4803 1 14 . 1 1 65 65 ASN C C 65 175.720 175.720 176.898 -1.178 19684 4804 1 14 . 1 1 65 65 ASN CA C 65 53.734 53.734 55.475 -1.742 19684 4805 1 14 . 1 1 65 65 ASN CB C 65 36.735 36.735 38.286 -1.551 19684 4806 1 14 . 1 1 65 65 ASN H H 65 8.543 8.543 8.531 0.012 19684 4807 1 14 . 1 1 66 66 TYR N N 66 118.333 118.333 115.594 2.739 19684 4808 1 14 . 1 1 66 66 TYR HA H 66 4.906 4.906 4.902 0.004 19684 4809 1 14 . 1 1 66 66 TYR C C 66 175.641 175.641 175.230 0.411 19684 4810 1 14 . 1 1 66 66 TYR CA C 66 57.121 57.121 56.715 0.406 19684 4811 1 14 . 1 1 66 66 TYR CB C 66 37.682 37.682 38.632 -0.950 19684 4812 1 14 . 1 1 66 66 TYR H H 66 7.919 7.919 7.831 0.088 19684 4813 1 14 . 1 1 67 67 VAL N N 67 108.796 108.796 111.914 -3.118 19684 4814 1 14 . 1 1 67 67 VAL HA H 67 5.441 5.441 4.806 0.635 19684 4815 1 14 . 1 1 67 67 VAL C C 67 173.714 173.714 174.819 -1.105 19684 4816 1 14 . 1 1 67 67 VAL CA C 67 57.990 57.990 58.921 -0.931 19684 4817 1 14 . 1 1 67 67 VAL CB C 67 35.467 35.467 35.356 0.111 19684 4818 1 14 . 1 1 67 67 VAL H H 67 7.341 7.341 7.309 0.032 19684 4819 1 14 . 1 1 68 68 LYS N N 68 120.974 120.974 123.578 -2.604 19684 4820 1 14 . 1 1 68 68 LYS HA H 68 4.692 4.692 4.596 0.096 19684 4821 1 14 . 1 1 68 68 LYS C C 68 175.962 175.962 175.756 0.206 19684 4822 1 14 . 1 1 68 68 LYS CA C 68 54.108 54.108 54.342 -0.234 19684 4823 1 14 . 1 1 68 68 LYS CB C 68 35.051 35.051 34.415 0.636 19684 4824 1 14 . 1 1 68 68 LYS H H 68 8.907 8.907 8.333 0.574 19684 4825 1 14 . 1 1 69 69 LEU N N 69 126.343 126.343 128.892 -2.549 19684 4826 1 14 . 1 1 69 69 LEU HA H 69 4.392 4.392 4.399 -0.007 19684 4827 1 14 . 1 1 69 69 LEU C C 69 176.293 176.293 177.114 -0.821 19684 4828 1 14 . 1 1 69 69 LEU CA C 69 55.627 55.627 55.269 0.358 19684 4829 1 14 . 1 1 69 69 LEU CB C 69 41.278 41.278 41.145 0.133 19684 4830 1 14 . 1 1 69 69 LEU H H 69 8.791 8.791 8.746 0.045 19684 4831 1 15 . 1 1 2 2 GLY N N 2 113.935 113.935 111.342 2.593 19684 4832 1 15 . 1 1 2 2 GLY CA C 2 43.362 43.362 45.547 -2.185 19684 4833 1 15 . 1 1 2 2 GLY H H 2 8.251 8.251 8.514 -0.263 19684 4834 1 15 . 1 1 9 9 SER HA H 9 4.375 4.375 4.788 -0.413 19684 4835 1 15 . 1 1 9 9 SER CA C 9 58.422 58.422 57.337 1.085 19684 4836 1 15 . 1 1 9 9 SER CB C 9 63.552 63.552 62.058 1.494 19684 4837 1 15 . 1 1 10 10 HIS HA H 10 4.622 4.622 4.694 -0.072 19684 4838 1 15 . 1 1 10 10 HIS C C 10 174.853 174.853 173.607 1.246 19684 4839 1 15 . 1 1 10 10 HIS CA C 10 55.967 55.967 56.072 -0.105 19684 4840 1 15 . 1 1 10 10 HIS CB C 10 30.242 30.242 28.564 1.678 19684 4841 1 15 . 1 1 11 11 MET N N 11 121.242 121.242 121.033 0.209 19684 4842 1 15 . 1 1 11 11 MET HA H 11 4.432 4.432 4.698 -0.266 19684 4843 1 15 . 1 1 11 11 MET C C 11 175.804 175.804 175.145 0.659 19684 4844 1 15 . 1 1 11 11 MET CA C 11 55.487 55.487 54.567 0.920 19684 4845 1 15 . 1 1 11 11 MET CB C 11 32.712 32.712 36.809 -4.097 19684 4846 1 15 . 1 1 11 11 MET H H 11 8.210 8.210 7.941 0.269 19684 4847 1 15 . 1 1 12 12 ILE N N 12 122.708 122.708 124.612 -1.904 19684 4848 1 15 . 1 1 12 12 ILE HA H 12 4.173 4.173 4.270 -0.097 19684 4849 1 15 . 1 1 12 12 ILE C C 12 175.916 175.916 175.838 0.078 19684 4850 1 15 . 1 1 12 12 ILE CA C 12 60.878 60.878 60.458 0.420 19684 4851 1 15 . 1 1 12 12 ILE CB C 12 38.534 38.534 35.695 2.839 19684 4852 1 15 . 1 1 12 12 ILE H H 12 8.236 8.236 8.716 -0.480 19684 4853 1 15 . 1 1 13 13 ARG N N 13 125.079 125.079 126.741 -1.662 19684 4854 1 15 . 1 1 13 13 ARG HA H 13 4.472 4.472 3.869 0.603 19684 4855 1 15 . 1 1 13 13 ARG C C 13 175.573 175.573 175.640 -0.067 19684 4856 1 15 . 1 1 13 13 ARG CA C 13 55.645 55.645 58.841 -3.196 19684 4857 1 15 . 1 1 13 13 ARG CB C 13 31.256 31.256 29.341 1.915 19684 4858 1 15 . 1 1 13 13 ARG H H 13 8.386 8.386 8.511 -0.125 19684 4859 1 15 . 1 1 14 14 SER N N 14 117.250 117.250 113.160 4.090 19684 4860 1 15 . 1 1 14 14 SER HA H 14 4.441 4.441 4.448 -0.007 19684 4861 1 15 . 1 1 14 14 SER C C 14 174.090 174.090 173.128 0.962 19684 4862 1 15 . 1 1 14 14 SER CA C 14 58.062 58.062 58.532 -0.470 19684 4863 1 15 . 1 1 14 14 SER CB C 14 63.638 63.638 63.920 -0.282 19684 4864 1 15 . 1 1 14 14 SER H H 14 8.386 8.386 8.287 0.099 19684 4865 1 15 . 1 1 15 15 ARG N N 15 123.266 123.266 123.234 0.032 19684 4866 1 15 . 1 1 15 15 ARG HA H 15 4.651 4.651 4.317 0.334 19684 4867 1 15 . 1 1 15 15 ARG C C 15 174.913 174.913 175.553 -0.640 19684 4868 1 15 . 1 1 15 15 ARG CA C 15 54.960 54.960 55.306 -0.346 19684 4869 1 15 . 1 1 15 15 ARG CB C 15 31.574 31.574 29.713 1.861 19684 4870 1 15 . 1 1 15 15 ARG H H 15 8.721 8.721 7.931 0.790 19684 4871 1 15 . 1 1 16 16 LYS N N 16 120.105 120.105 123.685 -3.580 19684 4872 1 15 . 1 1 16 16 LYS HA H 16 5.315 5.315 5.632 -0.317 19684 4873 1 15 . 1 1 16 16 LYS C C 16 175.755 175.755 175.654 0.101 19684 4874 1 15 . 1 1 16 16 LYS CA C 16 54.926 54.926 54.425 0.501 19684 4875 1 15 . 1 1 16 16 LYS CB C 16 36.741 36.741 36.781 -0.040 19684 4876 1 15 . 1 1 16 16 LYS H H 16 8.406 8.406 8.240 0.166 19684 4877 1 15 . 1 1 17 17 ALA N N 17 118.564 118.564 121.283 -2.719 19684 4878 1 15 . 1 1 17 17 ALA HA H 17 5.256 5.256 5.079 0.177 19684 4879 1 15 . 1 1 17 17 ALA C C 17 173.884 173.884 174.961 -1.077 19684 4880 1 15 . 1 1 17 17 ALA CA C 17 50.673 50.673 51.083 -0.410 19684 4881 1 15 . 1 1 17 17 ALA CB C 17 23.580 23.580 23.403 0.177 19684 4882 1 15 . 1 1 17 17 ALA H H 17 8.310 8.310 8.401 -0.091 19684 4883 1 15 . 1 1 18 18 ARG N N 18 119.872 119.872 120.523 -0.651 19684 4884 1 15 . 1 1 18 18 ARG HA H 18 5.755 5.755 5.024 0.731 19684 4885 1 15 . 1 1 18 18 ARG C C 18 176.196 176.196 175.009 1.187 19684 4886 1 15 . 1 1 18 18 ARG CA C 18 53.023 53.023 54.677 -1.654 19684 4887 1 15 . 1 1 18 18 ARG CB C 18 34.603 34.603 34.212 0.392 19684 4888 1 15 . 1 1 18 18 ARG H H 18 9.008 9.008 8.718 0.290 19684 4889 1 15 . 1 1 19 19 ALA N N 19 127.577 127.577 130.163 -2.586 19684 4890 1 15 . 1 1 19 19 ALA HA H 19 4.828 4.828 4.617 0.211 19684 4891 1 15 . 1 1 19 19 ALA C C 19 178.887 178.887 177.586 1.301 19684 4892 1 15 . 1 1 19 19 ALA CA C 19 53.215 53.215 52.611 0.604 19684 4893 1 15 . 1 1 19 19 ALA CB C 19 21.164 21.164 19.206 1.958 19684 4894 1 15 . 1 1 19 19 ALA H H 19 9.456 9.456 8.727 0.729 19684 4895 1 15 . 1 1 20 20 VAL N N 20 120.989 120.989 122.258 -1.269 19684 4896 1 15 . 1 1 20 20 VAL HA H 20 4.233 4.233 4.157 0.076 19684 4897 1 15 . 1 1 20 20 VAL C C 20 173.478 173.478 175.105 -1.627 19684 4898 1 15 . 1 1 20 20 VAL CA C 20 61.659 61.659 63.128 -1.469 19684 4899 1 15 . 1 1 20 20 VAL CB C 20 32.406 32.406 32.162 0.244 19684 4900 1 15 . 1 1 20 20 VAL H H 20 9.261 9.261 8.507 0.754 19684 4901 1 15 . 1 1 21 21 TYR N N 21 120.793 120.793 118.575 2.218 19684 4902 1 15 . 1 1 21 21 TYR HA H 21 4.917 4.917 4.965 -0.048 19684 4903 1 15 . 1 1 21 21 TYR C C 21 171.768 171.768 173.758 -1.990 19684 4904 1 15 . 1 1 21 21 TYR CA C 21 54.783 54.783 55.130 -0.347 19684 4905 1 15 . 1 1 21 21 TYR CB C 21 41.028 41.028 39.875 1.153 19684 4906 1 15 . 1 1 21 21 TYR H H 21 7.740 7.740 8.158 -0.418 19684 4907 1 15 . 1 1 22 22 PRO HA H 22 4.569 4.569 4.711 -0.142 19684 4908 1 15 . 1 1 22 22 PRO C C 22 175.447 175.447 174.878 0.569 19684 4909 1 15 . 1 1 22 22 PRO CA C 22 61.784 61.784 61.896 -0.112 19684 4910 1 15 . 1 1 22 22 PRO CB C 22 32.301 32.301 32.793 -0.492 19684 4911 1 15 . 1 1 23 23 CYS N N 23 117.584 117.584 120.123 -2.539 19684 4912 1 15 . 1 1 23 23 CYS HA H 23 4.369 4.369 4.033 0.336 19684 4913 1 15 . 1 1 23 23 CYS C C 23 173.409 173.409 173.465 -0.056 19684 4914 1 15 . 1 1 23 23 CYS CA C 23 58.325 58.325 56.273 2.052 19684 4915 1 15 . 1 1 23 23 CYS CB C 23 30.008 30.008 29.438 0.570 19684 4916 1 15 . 1 1 23 23 CYS H H 23 8.265 8.265 7.669 0.596 19684 4917 1 15 . 1 1 24 24 GLU N N 24 131.184 131.184 126.425 4.759 19684 4918 1 15 . 1 1 24 24 GLU HA H 24 4.539 4.539 4.363 0.176 19684 4919 1 15 . 1 1 24 24 GLU C C 24 174.814 174.814 175.099 -0.285 19684 4920 1 15 . 1 1 24 24 GLU CA C 24 54.416 54.416 54.628 -0.212 19684 4921 1 15 . 1 1 24 24 GLU CB C 24 30.172 30.172 30.475 -0.303 19684 4922 1 15 . 1 1 24 24 GLU H H 24 8.594 8.594 8.566 0.028 19684 4923 1 15 . 1 1 25 25 ALA N N 25 128.937 128.937 128.131 0.806 19684 4924 1 15 . 1 1 25 25 ALA HA H 25 4.180 4.180 4.447 -0.267 19684 4925 1 15 . 1 1 25 25 ALA C C 25 178.154 178.154 178.251 -0.097 19684 4926 1 15 . 1 1 25 25 ALA CA C 25 52.809 52.809 52.398 0.411 19684 4927 1 15 . 1 1 25 25 ALA CB C 25 20.779 20.779 19.376 1.403 19684 4928 1 15 . 1 1 25 25 ALA H H 25 8.555 8.555 8.640 -0.085 19684 4929 1 15 . 1 1 26 26 GLU N N 26 119.582 119.582 123.574 -3.992 19684 4930 1 15 . 1 1 26 26 GLU HA H 26 4.268 4.268 4.216 0.052 19684 4931 1 15 . 1 1 26 26 GLU C C 26 175.916 175.916 176.344 -0.428 19684 4932 1 15 . 1 1 26 26 GLU CA C 26 56.345 56.345 57.085 -0.740 19684 4933 1 15 . 1 1 26 26 GLU CB C 26 31.091 31.091 30.458 0.633 19684 4934 1 15 . 1 1 26 26 GLU H H 26 8.613 8.613 8.889 -0.276 19684 4935 1 15 . 1 1 27 27 HIS N N 27 115.533 115.533 119.174 -3.641 19684 4936 1 15 . 1 1 27 27 HIS C C 27 175.986 175.986 175.339 0.647 19684 4937 1 15 . 1 1 27 27 HIS CA C 27 54.711 54.711 55.313 -0.602 19684 4938 1 15 . 1 1 27 27 HIS CB C 27 32.077 32.077 33.122 -1.045 19684 4939 1 15 . 1 1 27 27 HIS H H 27 7.418 7.418 8.092 -0.674 19684 4940 1 15 . 1 1 28 28 SER HA H 28 4.255 4.255 4.322 -0.067 19684 4941 1 15 . 1 1 28 28 SER C C 28 174.619 174.619 175.413 -0.794 19684 4942 1 15 . 1 1 28 28 SER CA C 28 60.985 60.985 60.693 0.292 19684 4943 1 15 . 1 1 28 28 SER CB C 28 62.890 62.890 63.515 -0.625 19684 4944 1 15 . 1 1 29 29 SER N N 29 114.287 114.287 115.959 -1.672 19684 4945 1 15 . 1 1 29 29 SER HA H 29 4.405 4.405 4.344 0.061 19684 4946 1 15 . 1 1 29 29 SER C C 29 174.305 174.305 175.210 -0.905 19684 4947 1 15 . 1 1 29 29 SER CA C 29 58.564 58.564 60.823 -2.259 19684 4948 1 15 . 1 1 29 29 SER CB C 29 62.953 62.953 63.655 -0.702 19684 4949 1 15 . 1 1 29 29 SER H H 29 8.207 8.207 8.451 -0.244 19684 4950 1 15 . 1 1 30 30 GLU N N 30 122.312 122.312 122.453 -0.141 19684 4951 1 15 . 1 1 30 30 GLU HA H 30 4.690 4.690 4.569 0.121 19684 4952 1 15 . 1 1 30 30 GLU C C 30 175.373 175.373 176.234 -0.861 19684 4953 1 15 . 1 1 30 30 GLU CA C 30 54.894 54.894 56.441 -1.547 19684 4954 1 15 . 1 1 30 30 GLU CB C 30 31.495 31.495 30.800 0.695 19684 4955 1 15 . 1 1 30 30 GLU H H 30 7.798 7.798 8.134 -0.336 19684 4956 1 15 . 1 1 31 31 LEU N N 31 118.829 118.829 122.495 -3.666 19684 4957 1 15 . 1 1 31 31 LEU HA H 31 4.686 4.686 4.881 -0.195 19684 4958 1 15 . 1 1 31 31 LEU C C 31 177.013 177.013 176.056 0.957 19684 4959 1 15 . 1 1 31 31 LEU CA C 31 54.627 54.627 53.874 0.753 19684 4960 1 15 . 1 1 31 31 LEU CB C 31 43.640 43.640 44.074 -0.434 19684 4961 1 15 . 1 1 31 31 LEU H H 31 8.084 8.084 8.860 -0.776 19684 4962 1 15 . 1 1 32 32 SER N N 32 115.422 115.422 119.605 -4.183 19684 4963 1 15 . 1 1 32 32 SER HA H 32 4.863 4.863 4.629 0.234 19684 4964 1 15 . 1 1 32 32 SER C C 32 173.966 173.966 174.170 -0.204 19684 4965 1 15 . 1 1 32 32 SER CA C 32 57.745 57.745 57.990 -0.245 19684 4966 1 15 . 1 1 32 32 SER CB C 32 64.735 64.735 64.304 0.431 19684 4967 1 15 . 1 1 32 32 SER H H 32 8.054 8.054 8.726 -0.672 19684 4968 1 15 . 1 1 33 33 PHE N N 33 116.920 116.920 118.699 -1.779 19684 4969 1 15 . 1 1 33 33 PHE HA H 33 4.889 4.889 4.864 0.025 19684 4970 1 15 . 1 1 33 33 PHE C C 33 173.660 173.660 173.218 0.442 19684 4971 1 15 . 1 1 33 33 PHE CA C 33 56.261 56.261 56.861 -0.600 19684 4972 1 15 . 1 1 33 33 PHE CB C 33 39.272 39.272 40.414 -1.142 19684 4973 1 15 . 1 1 33 33 PHE H H 33 8.697 8.697 8.161 0.536 19684 4974 1 15 . 1 1 34 34 GLU N N 34 119.852 119.852 118.387 1.465 19684 4975 1 15 . 1 1 34 34 GLU HA H 34 4.622 4.622 4.787 -0.165 19684 4976 1 15 . 1 1 34 34 GLU C C 34 176.044 176.044 175.288 0.756 19684 4977 1 15 . 1 1 34 34 GLU CA C 34 53.759 53.759 54.285 -0.526 19684 4978 1 15 . 1 1 34 34 GLU CB C 34 31.878 31.878 32.807 -0.929 19684 4979 1 15 . 1 1 34 34 GLU H H 34 8.616 8.616 8.790 -0.174 19684 4980 1 15 . 1 1 35 35 ILE N N 35 118.386 118.386 121.193 -2.807 19684 4981 1 15 . 1 1 35 35 ILE HA H 35 3.173 3.173 3.892 -0.719 19684 4982 1 15 . 1 1 35 35 ILE C C 35 177.205 177.205 177.077 0.128 19684 4983 1 15 . 1 1 35 35 ILE CA C 35 64.926 64.926 63.149 1.777 19684 4984 1 15 . 1 1 35 35 ILE CB C 35 38.013 38.013 36.591 1.422 19684 4985 1 15 . 1 1 35 35 ILE H H 35 8.428 8.428 8.649 -0.221 19684 4986 1 15 . 1 1 36 36 GLY N N 36 114.528 114.528 115.714 -1.186 19684 4987 1 15 . 1 1 36 36 GLY C C 36 173.669 173.669 173.820 -0.151 19684 4988 1 15 . 1 1 36 36 GLY CA C 36 44.601 44.601 44.631 -0.030 19684 4989 1 15 . 1 1 36 36 GLY H H 36 8.568 8.568 8.635 -0.067 19684 4990 1 15 . 1 1 37 37 ALA N N 37 123.910 123.910 125.168 -1.258 19684 4991 1 15 . 1 1 37 37 ALA HA H 37 3.975 3.975 4.148 -0.173 19684 4992 1 15 . 1 1 37 37 ALA C C 37 175.106 175.106 176.461 -1.355 19684 4993 1 15 . 1 1 37 37 ALA CA C 37 53.061 53.061 52.207 0.854 19684 4994 1 15 . 1 1 37 37 ALA CB C 37 19.337 19.337 18.816 0.521 19684 4995 1 15 . 1 1 37 37 ALA H H 37 7.564 7.564 7.644 -0.080 19684 4996 1 15 . 1 1 38 38 ILE N N 38 120.298 120.298 123.716 -3.418 19684 4997 1 15 . 1 1 38 38 ILE HA H 38 4.867 4.867 4.723 0.144 19684 4998 1 15 . 1 1 38 38 ILE C C 38 174.910 174.910 175.157 -0.247 19684 4999 1 15 . 1 1 38 38 ILE CA C 38 58.050 58.050 58.864 -0.814 19684 5000 1 15 . 1 1 38 38 ILE CB C 38 38.080 38.080 38.039 0.041 19684 5001 1 15 . 1 1 38 38 ILE H H 38 7.843 7.843 7.959 -0.116 19684 5002 1 15 . 1 1 39 39 PHE N N 39 124.481 124.481 124.749 -0.268 19684 5003 1 15 . 1 1 39 39 PHE HA H 39 4.889 4.889 5.097 -0.208 19684 5004 1 15 . 1 1 39 39 PHE C C 39 175.106 175.106 175.135 -0.029 19684 5005 1 15 . 1 1 39 39 PHE CA C 39 55.542 55.542 56.134 -0.592 19684 5006 1 15 . 1 1 39 39 PHE CB C 39 42.173 42.173 42.219 -0.046 19684 5007 1 15 . 1 1 39 39 PHE H H 39 8.884 8.884 8.401 0.483 19684 5008 1 15 . 1 1 40 40 GLU N N 40 117.747 117.747 120.699 -2.952 19684 5009 1 15 . 1 1 40 40 GLU HA H 40 4.788 4.788 4.956 -0.168 19684 5010 1 15 . 1 1 40 40 GLU C C 40 175.797 175.797 177.026 -1.229 19684 5011 1 15 . 1 1 40 40 GLU CA C 40 53.945 53.945 54.371 -0.426 19684 5012 1 15 . 1 1 40 40 GLU CB C 40 32.928 32.928 31.946 0.982 19684 5013 1 15 . 1 1 40 40 GLU H H 40 9.047 9.047 8.601 0.446 19684 5014 1 15 . 1 1 41 41 ASP N N 41 120.461 120.461 118.637 1.824 19684 5015 1 15 . 1 1 41 41 ASP HA H 41 4.331 4.331 4.251 0.080 19684 5016 1 15 . 1 1 41 41 ASP C C 41 175.720 175.720 175.270 0.450 19684 5017 1 15 . 1 1 41 41 ASP CA C 41 54.842 54.842 55.706 -0.864 19684 5018 1 15 . 1 1 41 41 ASP CB C 41 39.241 39.241 39.351 -0.110 19684 5019 1 15 . 1 1 41 41 ASP H H 41 8.875 8.875 8.516 0.359 19684 5020 1 15 . 1 1 42 42 VAL N N 42 120.471 120.471 119.317 1.154 19684 5021 1 15 . 1 1 42 42 VAL HA H 42 4.788 4.788 4.036 0.752 19684 5022 1 15 . 1 1 42 42 VAL C C 42 176.652 176.652 175.657 0.995 19684 5023 1 15 . 1 1 42 42 VAL CA C 42 62.583 62.583 63.574 -0.991 19684 5024 1 15 . 1 1 42 42 VAL CB C 42 31.408 31.408 31.742 -0.334 19684 5025 1 15 . 1 1 42 42 VAL H H 42 8.932 8.932 7.506 1.426 19684 5026 1 15 . 1 1 43 43 GLN N N 43 124.450 124.450 127.063 -2.613 19684 5027 1 15 . 1 1 43 43 GLN HA H 43 4.859 4.859 4.739 0.120 19684 5028 1 15 . 1 1 43 43 GLN C C 43 174.928 174.928 175.233 -0.305 19684 5029 1 15 . 1 1 43 43 GLN CA C 43 53.436 53.436 53.510 -0.074 19684 5030 1 15 . 1 1 43 43 GLN CB C 43 33.482 33.482 32.258 1.224 19684 5031 1 15 . 1 1 43 43 GLN H H 43 9.057 9.057 8.753 0.304 19684 5032 1 15 . 1 1 44 44 THR N N 44 116.345 116.345 117.014 -0.669 19684 5033 1 15 . 1 1 44 44 THR HA H 44 4.149 4.149 4.354 -0.205 19684 5034 1 15 . 1 1 44 44 THR C C 44 174.138 174.138 174.261 -0.123 19684 5035 1 15 . 1 1 44 44 THR CA C 44 64.288 64.288 62.542 1.746 19684 5036 1 15 . 1 1 44 44 THR CB C 44 69.164 69.164 69.444 -0.280 19684 5037 1 15 . 1 1 44 44 THR H H 44 8.640 8.640 8.484 0.156 19684 5038 1 15 . 1 1 45 45 SER N N 45 119.635 119.635 118.979 0.656 19684 5039 1 15 . 1 1 45 45 SER HA H 45 4.670 4.670 4.787 -0.117 19684 5040 1 15 . 1 1 45 45 SER C C 45 174.304 174.304 175.547 -1.243 19684 5041 1 15 . 1 1 45 45 SER CA C 45 57.064 57.064 57.425 -0.361 19684 5042 1 15 . 1 1 45 45 SER CB C 45 65.275 65.275 64.164 1.111 19684 5043 1 15 . 1 1 45 45 SER H H 45 7.971 7.971 8.302 -0.331 19684 5044 1 15 . 1 1 46 46 ARG N N 46 120.482 120.482 120.820 -0.338 19684 5045 1 15 . 1 1 46 46 ARG HA H 46 4.170 4.170 4.257 -0.087 19684 5046 1 15 . 1 1 46 46 ARG C C 46 176.486 176.486 176.872 -0.386 19684 5047 1 15 . 1 1 46 46 ARG CA C 46 57.675 57.675 56.416 1.259 19684 5048 1 15 . 1 1 46 46 ARG CB C 46 30.019 30.019 29.936 0.083 19684 5049 1 15 . 1 1 46 46 ARG H H 46 8.491 8.491 8.598 -0.107 19684 5050 1 15 . 1 1 47 47 GLU N N 47 121.489 121.489 120.816 0.673 19684 5051 1 15 . 1 1 47 47 GLU HA H 47 4.820 4.820 4.598 0.222 19684 5052 1 15 . 1 1 47 47 GLU C C 47 173.926 173.926 174.641 -0.715 19684 5053 1 15 . 1 1 47 47 GLU CA C 47 52.716 52.716 53.907 -1.191 19684 5054 1 15 . 1 1 47 47 GLU CB C 47 30.039 30.039 29.102 0.937 19684 5055 1 15 . 1 1 47 47 GLU H H 47 8.530 8.530 7.656 0.874 19684 5056 1 15 . 1 1 48 48 PRO HA H 48 4.363 4.363 4.338 0.025 19684 5057 1 15 . 1 1 48 48 PRO C C 48 177.954 177.954 176.816 1.138 19684 5058 1 15 . 1 1 48 48 PRO CA C 48 63.672 63.672 63.817 -0.145 19684 5059 1 15 . 1 1 48 48 PRO CB C 48 31.798 31.798 31.550 0.248 19684 5060 1 15 . 1 1 49 49 GLY N N 49 110.220 110.220 110.966 -0.746 19684 5061 1 15 . 1 1 49 49 GLY C C 49 174.196 174.196 173.516 0.680 19684 5062 1 15 . 1 1 49 49 GLY CA C 49 44.965 44.965 44.700 0.265 19684 5063 1 15 . 1 1 49 49 GLY H H 49 8.660 8.660 8.351 0.309 19684 5064 1 15 . 1 1 50 50 TRP N N 50 120.527 120.527 121.446 -0.919 19684 5065 1 15 . 1 1 50 50 TRP HA H 50 5.098 5.098 5.549 -0.451 19684 5066 1 15 . 1 1 50 50 TRP C C 50 175.686 175.686 175.556 0.130 19684 5067 1 15 . 1 1 50 50 TRP CA C 50 56.460 56.460 56.464 -0.004 19684 5068 1 15 . 1 1 50 50 TRP CB C 50 31.745 31.745 32.041 -0.296 19684 5069 1 15 . 1 1 50 50 TRP H H 50 8.025 8.025 7.791 0.234 19684 5070 1 15 . 1 1 51 51 LEU N N 51 123.575 123.575 118.350 5.225 19684 5071 1 15 . 1 1 51 51 LEU HA H 51 4.966 4.966 5.023 -0.057 19684 5072 1 15 . 1 1 51 51 LEU C C 51 175.162 175.162 175.456 -0.294 19684 5073 1 15 . 1 1 51 51 LEU CA C 51 52.643 52.643 53.503 -0.860 19684 5074 1 15 . 1 1 51 51 LEU CB C 51 44.214 44.214 46.703 -2.489 19684 5075 1 15 . 1 1 51 51 LEU H H 51 9.635 9.635 9.013 0.622 19684 5076 1 15 . 1 1 52 52 GLU N N 52 119.825 119.825 120.115 -0.290 19684 5077 1 15 . 1 1 52 52 GLU HA H 52 5.180 5.180 5.400 -0.220 19684 5078 1 15 . 1 1 52 52 GLU C C 52 175.082 175.082 175.981 -0.899 19684 5079 1 15 . 1 1 52 52 GLU CA C 52 54.693 54.693 55.054 -0.361 19684 5080 1 15 . 1 1 52 52 GLU CB C 52 32.735 32.735 32.536 0.199 19684 5081 1 15 . 1 1 52 52 GLU H H 52 9.144 9.144 8.439 0.705 19684 5082 1 15 . 1 1 53 53 GLY N N 53 106.528 106.528 111.421 -4.893 19684 5083 1 15 . 1 1 53 53 GLY C C 53 170.278 170.278 172.816 -2.538 19684 5084 1 15 . 1 1 53 53 GLY CA C 53 45.500 45.500 45.106 0.394 19684 5085 1 15 . 1 1 53 53 GLY H H 53 8.500 8.500 8.078 0.422 19684 5086 1 15 . 1 1 54 54 THR N N 54 115.540 115.540 118.913 -3.373 19684 5087 1 15 . 1 1 54 54 THR HA H 54 5.334 5.334 4.598 0.736 19684 5088 1 15 . 1 1 54 54 THR C C 54 173.549 173.549 173.096 0.453 19684 5089 1 15 . 1 1 54 54 THR CA C 54 61.186 61.186 62.604 -1.418 19684 5090 1 15 . 1 1 54 54 THR CB C 54 69.935 69.935 69.735 0.200 19684 5091 1 15 . 1 1 54 54 THR H H 54 9.085 9.085 8.666 0.419 19684 5092 1 15 . 1 1 55 55 LEU N N 55 128.613 128.613 129.558 -0.945 19684 5093 1 15 . 1 1 55 55 LEU HA H 55 4.842 4.842 4.738 0.104 19684 5094 1 15 . 1 1 55 55 LEU C C 55 176.045 176.045 176.110 -0.065 19684 5095 1 15 . 1 1 55 55 LEU CA C 55 53.387 53.387 53.941 -0.554 19684 5096 1 15 . 1 1 55 55 LEU CB C 55 45.579 45.579 43.912 1.667 19684 5097 1 15 . 1 1 55 55 LEU H H 55 9.368 9.368 8.455 0.913 19684 5098 1 15 . 1 1 56 56 ASN N N 56 128.674 128.674 124.901 3.773 19684 5099 1 15 . 1 1 56 56 ASN HA H 56 4.403 4.403 4.465 -0.062 19684 5100 1 15 . 1 1 56 56 ASN C C 56 175.457 175.457 175.637 -0.180 19684 5101 1 15 . 1 1 56 56 ASN CA C 56 54.126 54.126 53.974 0.152 19684 5102 1 15 . 1 1 56 56 ASN CB C 56 37.291 37.291 37.363 -0.072 19684 5103 1 15 . 1 1 56 56 ASN H H 56 9.670 9.670 9.179 0.491 19684 5104 1 15 . 1 1 57 57 GLY N N 57 102.683 102.683 103.897 -1.214 19684 5105 1 15 . 1 1 57 57 GLY C C 57 173.175 173.175 173.391 -0.216 19684 5106 1 15 . 1 1 57 57 GLY CA C 57 45.263 45.263 45.183 0.080 19684 5107 1 15 . 1 1 57 57 GLY H H 57 8.441 8.441 8.468 -0.027 19684 5108 1 15 . 1 1 58 58 LYS N N 58 122.749 122.749 120.114 2.635 19684 5109 1 15 . 1 1 58 58 LYS HA H 58 4.621 4.621 4.515 0.106 19684 5110 1 15 . 1 1 58 58 LYS C C 58 173.237 173.237 175.274 -2.037 19684 5111 1 15 . 1 1 58 58 LYS CA C 58 54.962 54.962 54.849 0.113 19684 5112 1 15 . 1 1 58 58 LYS CB C 58 34.303 34.303 34.215 0.088 19684 5113 1 15 . 1 1 58 58 LYS H H 58 7.847 7.847 7.275 0.572 19684 5114 1 15 . 1 1 59 59 ARG N N 59 127.435 127.435 129.296 -1.861 19684 5115 1 15 . 1 1 59 59 ARG HA H 59 5.417 5.417 5.340 0.077 19684 5116 1 15 . 1 1 59 59 ARG C C 59 176.486 176.486 175.712 0.774 19684 5117 1 15 . 1 1 59 59 ARG CA C 59 54.079 54.079 55.721 -1.642 19684 5118 1 15 . 1 1 59 59 ARG CB C 59 31.815 31.815 31.060 0.755 19684 5119 1 15 . 1 1 59 59 ARG H H 59 8.741 8.741 8.767 -0.026 19684 5120 1 15 . 1 1 60 60 GLY N N 60 112.447 112.447 111.737 0.710 19684 5121 1 15 . 1 1 60 60 GLY C C 60 170.709 170.709 172.517 -1.808 19684 5122 1 15 . 1 1 60 60 GLY CA C 60 45.648 45.648 45.040 0.608 19684 5123 1 15 . 1 1 60 60 GLY H H 60 8.745 8.745 8.000 0.745 19684 5124 1 15 . 1 1 61 61 LEU N N 61 117.631 117.631 121.282 -3.651 19684 5125 1 15 . 1 1 61 61 LEU HA H 61 5.330 5.330 4.932 0.398 19684 5126 1 15 . 1 1 61 61 LEU C C 61 178.461 178.461 176.496 1.965 19684 5127 1 15 . 1 1 61 61 LEU CA C 61 54.784 54.784 55.470 -0.686 19684 5128 1 15 . 1 1 61 61 LEU CB C 61 44.075 44.075 42.518 1.557 19684 5129 1 15 . 1 1 61 61 LEU H H 61 8.527 8.527 8.251 0.276 19684 5130 1 15 . 1 1 62 62 ILE N N 62 121.463 121.463 123.638 -2.175 19684 5131 1 15 . 1 1 62 62 ILE HA H 62 4.899 4.899 4.828 0.071 19684 5132 1 15 . 1 1 62 62 ILE C C 62 172.776 172.776 173.668 -0.892 19684 5133 1 15 . 1 1 62 62 ILE CA C 62 58.089 58.089 58.031 0.058 19684 5134 1 15 . 1 1 62 62 ILE CB C 62 43.821 43.821 40.498 3.322 19684 5135 1 15 . 1 1 62 62 ILE H H 62 9.387 9.387 9.100 0.287 19684 5136 1 15 . 1 1 63 63 PRO HA H 63 3.610 3.610 3.722 -0.112 19684 5137 1 15 . 1 1 63 63 PRO C C 63 179.007 179.007 177.033 1.974 19684 5138 1 15 . 1 1 63 63 PRO CA C 63 62.475 62.475 62.099 0.376 19684 5139 1 15 . 1 1 63 63 PRO CB C 63 30.637 30.637 30.965 -0.328 19684 5140 1 15 . 1 1 64 64 GLN N N 64 124.254 124.254 125.881 -1.627 19684 5141 1 15 . 1 1 64 64 GLN HA H 64 3.624 3.624 3.811 -0.187 19684 5142 1 15 . 1 1 64 64 GLN C C 64 176.210 176.210 177.663 -1.453 19684 5143 1 15 . 1 1 64 64 GLN CA C 64 58.984 58.984 58.998 -0.014 19684 5144 1 15 . 1 1 64 64 GLN CB C 64 28.212 28.212 28.526 -0.314 19684 5145 1 15 . 1 1 64 64 GLN H H 64 8.045 8.045 8.089 -0.044 19684 5146 1 15 . 1 1 65 65 ASN N N 65 111.289 111.289 116.272 -4.983 19684 5147 1 15 . 1 1 65 65 ASN HA H 65 4.722 4.722 4.462 0.260 19684 5148 1 15 . 1 1 65 65 ASN C C 65 175.720 175.720 175.437 0.283 19684 5149 1 15 . 1 1 65 65 ASN CA C 65 53.734 53.734 55.327 -1.593 19684 5150 1 15 . 1 1 65 65 ASN CB C 65 36.735 36.735 38.125 -1.390 19684 5151 1 15 . 1 1 65 65 ASN H H 65 8.543 8.543 8.293 0.250 19684 5152 1 15 . 1 1 66 66 TYR N N 66 118.333 118.333 113.542 4.791 19684 5153 1 15 . 1 1 66 66 TYR HA H 66 4.906 4.906 5.016 -0.110 19684 5154 1 15 . 1 1 66 66 TYR C C 66 175.641 175.641 174.671 0.970 19684 5155 1 15 . 1 1 66 66 TYR CA C 66 57.121 57.121 57.153 -0.032 19684 5156 1 15 . 1 1 66 66 TYR CB C 66 37.682 37.682 39.154 -1.472 19684 5157 1 15 . 1 1 66 66 TYR H H 66 7.919 7.919 7.578 0.341 19684 5158 1 15 . 1 1 67 67 VAL N N 67 108.796 108.796 112.934 -4.138 19684 5159 1 15 . 1 1 67 67 VAL HA H 67 5.441 5.441 4.902 0.539 19684 5160 1 15 . 1 1 67 67 VAL C C 67 173.714 173.714 174.868 -1.154 19684 5161 1 15 . 1 1 67 67 VAL CA C 67 57.990 57.990 58.947 -0.957 19684 5162 1 15 . 1 1 67 67 VAL CB C 67 35.467 35.467 35.310 0.157 19684 5163 1 15 . 1 1 67 67 VAL H H 67 7.341 7.341 7.395 -0.054 19684 5164 1 15 . 1 1 68 68 LYS N N 68 120.974 120.974 123.518 -2.544 19684 5165 1 15 . 1 1 68 68 LYS HA H 68 4.692 4.692 4.618 0.074 19684 5166 1 15 . 1 1 68 68 LYS C C 68 175.962 175.962 175.649 0.313 19684 5167 1 15 . 1 1 68 68 LYS CA C 68 54.108 54.108 54.388 -0.280 19684 5168 1 15 . 1 1 68 68 LYS CB C 68 35.051 35.051 34.826 0.225 19684 5169 1 15 . 1 1 68 68 LYS H H 68 8.907 8.907 8.378 0.529 19684 5170 1 15 . 1 1 69 69 LEU N N 69 126.343 126.343 128.272 -1.929 19684 5171 1 15 . 1 1 69 69 LEU HA H 69 4.392 4.392 4.316 0.076 19684 5172 1 15 . 1 1 69 69 LEU C C 69 176.293 176.293 177.209 -0.916 19684 5173 1 15 . 1 1 69 69 LEU CA C 69 55.627 55.627 55.421 0.206 19684 5174 1 15 . 1 1 69 69 LEU CB C 69 41.278 41.278 40.977 0.301 19684 5175 1 15 . 1 1 69 69 LEU H H 69 8.791 8.791 8.650 0.141 19684 5176 1 16 . 1 1 2 2 GLY N N 2 113.935 113.935 108.026 5.909 19684 5177 1 16 . 1 1 2 2 GLY CA C 2 43.362 43.362 44.814 -1.452 19684 5178 1 16 . 1 1 2 2 GLY H H 2 8.251 8.251 8.436 -0.185 19684 5179 1 16 . 1 1 9 9 SER HA H 9 4.375 4.375 4.570 -0.195 19684 5180 1 16 . 1 1 9 9 SER CA C 9 58.422 58.422 57.548 0.874 19684 5181 1 16 . 1 1 9 9 SER CB C 9 63.552 63.552 64.844 -1.292 19684 5182 1 16 . 1 1 10 10 HIS HA H 10 4.622 4.622 4.292 0.330 19684 5183 1 16 . 1 1 10 10 HIS C C 10 174.853 174.853 174.619 0.234 19684 5184 1 16 . 1 1 10 10 HIS CA C 10 55.967 55.967 56.750 -0.783 19684 5185 1 16 . 1 1 10 10 HIS CB C 10 30.242 30.242 29.640 0.602 19684 5186 1 16 . 1 1 11 11 MET N N 11 121.242 121.242 119.907 1.335 19684 5187 1 16 . 1 1 11 11 MET HA H 11 4.432 4.432 4.266 0.166 19684 5188 1 16 . 1 1 11 11 MET C C 11 175.804 175.804 174.799 1.005 19684 5189 1 16 . 1 1 11 11 MET CA C 11 55.487 55.487 55.197 0.290 19684 5190 1 16 . 1 1 11 11 MET CB C 11 32.712 32.712 32.956 -0.244 19684 5191 1 16 . 1 1 11 11 MET H H 11 8.210 8.210 8.356 -0.146 19684 5192 1 16 . 1 1 12 12 ILE N N 12 122.708 122.708 125.240 -2.532 19684 5193 1 16 . 1 1 12 12 ILE HA H 12 4.173 4.173 4.154 0.019 19684 5194 1 16 . 1 1 12 12 ILE C C 12 175.916 175.916 176.297 -0.381 19684 5195 1 16 . 1 1 12 12 ILE CA C 12 60.878 60.878 61.103 -0.225 19684 5196 1 16 . 1 1 12 12 ILE CB C 12 38.534 38.534 36.679 1.855 19684 5197 1 16 . 1 1 12 12 ILE H H 12 8.236 8.236 8.463 -0.227 19684 5198 1 16 . 1 1 13 13 ARG N N 13 125.079 125.079 125.416 -0.337 19684 5199 1 16 . 1 1 13 13 ARG HA H 13 4.472 4.472 4.183 0.289 19684 5200 1 16 . 1 1 13 13 ARG C C 13 175.573 175.573 176.253 -0.680 19684 5201 1 16 . 1 1 13 13 ARG CA C 13 55.645 55.645 57.318 -1.673 19684 5202 1 16 . 1 1 13 13 ARG CB C 13 31.256 31.256 30.627 0.629 19684 5203 1 16 . 1 1 13 13 ARG H H 13 8.386 8.386 8.657 -0.271 19684 5204 1 16 . 1 1 14 14 SER N N 14 117.250 117.250 113.125 4.125 19684 5205 1 16 . 1 1 14 14 SER HA H 14 4.441 4.441 4.542 -0.101 19684 5206 1 16 . 1 1 14 14 SER C C 14 174.090 174.090 172.982 1.108 19684 5207 1 16 . 1 1 14 14 SER CA C 14 58.062 58.062 57.034 1.028 19684 5208 1 16 . 1 1 14 14 SER CB C 14 63.638 63.638 64.156 -0.518 19684 5209 1 16 . 1 1 14 14 SER H H 14 8.386 8.386 7.534 0.852 19684 5210 1 16 . 1 1 15 15 ARG N N 15 123.266 123.266 120.472 2.794 19684 5211 1 16 . 1 1 15 15 ARG HA H 15 4.651 4.651 4.638 0.013 19684 5212 1 16 . 1 1 15 15 ARG C C 15 174.913 174.913 175.545 -0.632 19684 5213 1 16 . 1 1 15 15 ARG CA C 15 54.960 54.960 55.096 -0.136 19684 5214 1 16 . 1 1 15 15 ARG CB C 15 31.574 31.574 32.822 -1.248 19684 5215 1 16 . 1 1 15 15 ARG H H 15 8.721 8.721 8.547 0.174 19684 5216 1 16 . 1 1 16 16 LYS N N 16 120.105 120.105 118.679 1.426 19684 5217 1 16 . 1 1 16 16 LYS HA H 16 5.315 5.315 5.083 0.232 19684 5218 1 16 . 1 1 16 16 LYS C C 16 175.755 175.755 175.504 0.251 19684 5219 1 16 . 1 1 16 16 LYS CA C 16 54.926 54.926 54.928 -0.002 19684 5220 1 16 . 1 1 16 16 LYS CB C 16 36.741 36.741 37.033 -0.292 19684 5221 1 16 . 1 1 16 16 LYS H H 16 8.406 8.406 8.441 -0.035 19684 5222 1 16 . 1 1 17 17 ALA N N 17 118.564 118.564 120.722 -2.158 19684 5223 1 16 . 1 1 17 17 ALA HA H 17 5.256 5.256 4.896 0.360 19684 5224 1 16 . 1 1 17 17 ALA C C 17 173.884 173.884 174.826 -0.942 19684 5225 1 16 . 1 1 17 17 ALA CA C 17 50.673 50.673 51.645 -0.972 19684 5226 1 16 . 1 1 17 17 ALA CB C 17 23.580 23.580 23.152 0.428 19684 5227 1 16 . 1 1 17 17 ALA H H 17 8.310 8.310 8.453 -0.143 19684 5228 1 16 . 1 1 18 18 ARG N N 18 119.872 119.872 122.492 -2.620 19684 5229 1 16 . 1 1 18 18 ARG HA H 18 5.755 5.755 5.221 0.534 19684 5230 1 16 . 1 1 18 18 ARG C C 18 176.196 176.196 175.294 0.902 19684 5231 1 16 . 1 1 18 18 ARG CA C 18 53.023 53.023 54.031 -1.008 19684 5232 1 16 . 1 1 18 18 ARG CB C 18 34.603 34.603 33.926 0.677 19684 5233 1 16 . 1 1 18 18 ARG H H 18 9.008 9.008 8.659 0.349 19684 5234 1 16 . 1 1 19 19 ALA N N 19 127.577 127.577 130.473 -2.896 19684 5235 1 16 . 1 1 19 19 ALA HA H 19 4.828 4.828 4.672 0.156 19684 5236 1 16 . 1 1 19 19 ALA C C 19 178.887 178.887 177.432 1.455 19684 5237 1 16 . 1 1 19 19 ALA CA C 19 53.215 53.215 52.386 0.828 19684 5238 1 16 . 1 1 19 19 ALA CB C 19 21.164 21.164 19.118 2.046 19684 5239 1 16 . 1 1 19 19 ALA H H 19 9.456 9.456 8.731 0.725 19684 5240 1 16 . 1 1 20 20 VAL N N 20 120.989 120.989 120.133 0.856 19684 5241 1 16 . 1 1 20 20 VAL HA H 20 4.233 4.233 4.206 0.027 19684 5242 1 16 . 1 1 20 20 VAL C C 20 173.478 173.478 174.944 -1.466 19684 5243 1 16 . 1 1 20 20 VAL CA C 20 61.659 61.659 62.545 -0.886 19684 5244 1 16 . 1 1 20 20 VAL CB C 20 32.406 32.406 32.164 0.242 19684 5245 1 16 . 1 1 20 20 VAL H H 20 9.261 9.261 8.350 0.911 19684 5246 1 16 . 1 1 21 21 TYR N N 21 120.793 120.793 119.401 1.392 19684 5247 1 16 . 1 1 21 21 TYR HA H 21 4.917 4.917 4.832 0.085 19684 5248 1 16 . 1 1 21 21 TYR C C 21 171.768 171.768 173.292 -1.524 19684 5249 1 16 . 1 1 21 21 TYR CA C 21 54.783 54.783 54.983 -0.200 19684 5250 1 16 . 1 1 21 21 TYR CB C 21 41.028 41.028 39.961 1.067 19684 5251 1 16 . 1 1 21 21 TYR H H 21 7.740 7.740 8.013 -0.273 19684 5252 1 16 . 1 1 22 22 PRO HA H 22 4.569 4.569 4.561 0.008 19684 5253 1 16 . 1 1 22 22 PRO C C 22 175.447 175.447 175.372 0.075 19684 5254 1 16 . 1 1 22 22 PRO CA C 22 61.784 61.784 62.303 -0.519 19684 5255 1 16 . 1 1 22 22 PRO CB C 22 32.301 32.301 32.506 -0.205 19684 5256 1 16 . 1 1 23 23 CYS N N 23 117.584 117.584 123.757 -6.173 19684 5257 1 16 . 1 1 23 23 CYS HA H 23 4.369 4.369 4.631 -0.262 19684 5258 1 16 . 1 1 23 23 CYS C C 23 173.409 173.409 173.602 -0.193 19684 5259 1 16 . 1 1 23 23 CYS CA C 23 58.325 58.325 56.913 1.412 19684 5260 1 16 . 1 1 23 23 CYS CB C 23 30.008 30.008 28.104 1.904 19684 5261 1 16 . 1 1 23 23 CYS H H 23 8.265 8.265 8.070 0.195 19684 5262 1 16 . 1 1 24 24 GLU N N 24 131.184 131.184 127.554 3.630 19684 5263 1 16 . 1 1 24 24 GLU HA H 24 4.539 4.539 4.273 0.266 19684 5264 1 16 . 1 1 24 24 GLU C C 24 174.814 174.814 175.801 -0.987 19684 5265 1 16 . 1 1 24 24 GLU CA C 24 54.416 54.416 56.257 -1.841 19684 5266 1 16 . 1 1 24 24 GLU CB C 24 30.172 30.172 28.886 1.286 19684 5267 1 16 . 1 1 24 24 GLU H H 24 8.594 8.594 8.756 -0.162 19684 5268 1 16 . 1 1 25 25 ALA N N 25 128.937 128.937 129.377 -0.440 19684 5269 1 16 . 1 1 25 25 ALA HA H 25 4.180 4.180 4.267 -0.087 19684 5270 1 16 . 1 1 25 25 ALA C C 25 178.154 178.154 177.217 0.937 19684 5271 1 16 . 1 1 25 25 ALA CA C 25 52.809 52.809 52.115 0.694 19684 5272 1 16 . 1 1 25 25 ALA CB C 25 20.779 20.779 20.136 0.643 19684 5273 1 16 . 1 1 25 25 ALA H H 25 8.555 8.555 8.322 0.233 19684 5274 1 16 . 1 1 26 26 GLU N N 26 119.582 119.582 118.373 1.209 19684 5275 1 16 . 1 1 26 26 GLU HA H 26 4.268 4.268 4.453 -0.185 19684 5276 1 16 . 1 1 26 26 GLU C C 26 175.916 175.916 176.895 -0.979 19684 5277 1 16 . 1 1 26 26 GLU CA C 26 56.345 56.345 56.479 -0.134 19684 5278 1 16 . 1 1 26 26 GLU CB C 26 31.091 31.091 31.673 -0.582 19684 5279 1 16 . 1 1 26 26 GLU H H 26 8.613 8.613 8.880 -0.267 19684 5280 1 16 . 1 1 27 27 HIS N N 27 115.533 115.533 121.369 -5.836 19684 5281 1 16 . 1 1 27 27 HIS C C 27 175.986 175.986 176.740 -0.754 19684 5282 1 16 . 1 1 27 27 HIS CA C 27 54.711 54.711 55.882 -1.171 19684 5283 1 16 . 1 1 27 27 HIS CB C 27 32.077 32.077 31.173 0.904 19684 5284 1 16 . 1 1 27 27 HIS H H 27 7.418 7.418 8.572 -1.154 19684 5285 1 16 . 1 1 28 28 SER HA H 28 4.255 4.255 4.220 0.035 19684 5286 1 16 . 1 1 28 28 SER C C 28 174.619 174.619 176.128 -1.509 19684 5287 1 16 . 1 1 28 28 SER CA C 28 60.985 60.985 61.725 -0.740 19684 5288 1 16 . 1 1 28 28 SER CB C 28 62.890 62.890 63.065 -0.175 19684 5289 1 16 . 1 1 29 29 SER N N 29 114.287 114.287 115.977 -1.690 19684 5290 1 16 . 1 1 29 29 SER HA H 29 4.405 4.405 4.185 0.220 19684 5291 1 16 . 1 1 29 29 SER C C 29 174.305 174.305 174.669 -0.364 19684 5292 1 16 . 1 1 29 29 SER CA C 29 58.564 58.564 61.284 -2.720 19684 5293 1 16 . 1 1 29 29 SER CB C 29 62.953 62.953 63.217 -0.264 19684 5294 1 16 . 1 1 29 29 SER H H 29 8.207 8.207 8.708 -0.501 19684 5295 1 16 . 1 1 30 30 GLU N N 30 122.312 122.312 120.183 2.129 19684 5296 1 16 . 1 1 30 30 GLU HA H 30 4.690 4.690 4.529 0.161 19684 5297 1 16 . 1 1 30 30 GLU C C 30 175.373 175.373 175.256 0.117 19684 5298 1 16 . 1 1 30 30 GLU CA C 30 54.894 54.894 56.026 -1.131 19684 5299 1 16 . 1 1 30 30 GLU CB C 30 31.495 31.495 31.118 0.377 19684 5300 1 16 . 1 1 30 30 GLU H H 30 7.798 7.798 7.505 0.293 19684 5301 1 16 . 1 1 31 31 LEU N N 31 118.829 118.829 120.685 -1.856 19684 5302 1 16 . 1 1 31 31 LEU HA H 31 4.686 4.686 4.899 -0.213 19684 5303 1 16 . 1 1 31 31 LEU C C 31 177.013 177.013 175.758 1.255 19684 5304 1 16 . 1 1 31 31 LEU CA C 31 54.627 54.627 53.988 0.639 19684 5305 1 16 . 1 1 31 31 LEU CB C 31 43.640 43.640 44.402 -0.762 19684 5306 1 16 . 1 1 31 31 LEU H H 31 8.084 8.084 8.673 -0.589 19684 5307 1 16 . 1 1 32 32 SER N N 32 115.422 115.422 117.957 -2.535 19684 5308 1 16 . 1 1 32 32 SER HA H 32 4.863 4.863 5.586 -0.723 19684 5309 1 16 . 1 1 32 32 SER C C 32 173.966 173.966 174.245 -0.279 19684 5310 1 16 . 1 1 32 32 SER CA C 32 57.745 57.745 56.958 0.787 19684 5311 1 16 . 1 1 32 32 SER CB C 32 64.735 64.735 64.200 0.535 19684 5312 1 16 . 1 1 32 32 SER H H 32 8.054 8.054 8.524 -0.470 19684 5313 1 16 . 1 1 33 33 PHE N N 33 116.920 116.920 121.460 -4.540 19684 5314 1 16 . 1 1 33 33 PHE HA H 33 4.889 4.889 5.067 -0.178 19684 5315 1 16 . 1 1 33 33 PHE C C 33 173.660 173.660 173.448 0.212 19684 5316 1 16 . 1 1 33 33 PHE CA C 33 56.261 56.261 56.716 -0.455 19684 5317 1 16 . 1 1 33 33 PHE CB C 33 39.272 39.272 41.678 -2.406 19684 5318 1 16 . 1 1 33 33 PHE H H 33 8.697 8.697 8.607 0.090 19684 5319 1 16 . 1 1 34 34 GLU N N 34 119.852 119.852 118.009 1.843 19684 5320 1 16 . 1 1 34 34 GLU HA H 34 4.622 4.622 4.765 -0.143 19684 5321 1 16 . 1 1 34 34 GLU C C 34 176.044 176.044 175.184 0.860 19684 5322 1 16 . 1 1 34 34 GLU CA C 34 53.759 53.759 54.453 -0.694 19684 5323 1 16 . 1 1 34 34 GLU CB C 34 31.878 31.878 33.019 -1.141 19684 5324 1 16 . 1 1 34 34 GLU H H 34 8.616 8.616 8.847 -0.231 19684 5325 1 16 . 1 1 35 35 ILE N N 35 118.386 118.386 121.203 -2.817 19684 5326 1 16 . 1 1 35 35 ILE HA H 35 3.173 3.173 3.939 -0.766 19684 5327 1 16 . 1 1 35 35 ILE C C 35 177.205 177.205 177.272 -0.067 19684 5328 1 16 . 1 1 35 35 ILE CA C 35 64.926 64.926 63.253 1.673 19684 5329 1 16 . 1 1 35 35 ILE CB C 35 38.013 38.013 36.602 1.411 19684 5330 1 16 . 1 1 35 35 ILE H H 35 8.428 8.428 8.642 -0.214 19684 5331 1 16 . 1 1 36 36 GLY N N 36 114.528 114.528 116.103 -1.575 19684 5332 1 16 . 1 1 36 36 GLY C C 36 173.669 173.669 173.956 -0.287 19684 5333 1 16 . 1 1 36 36 GLY CA C 36 44.601 44.601 44.730 -0.129 19684 5334 1 16 . 1 1 36 36 GLY H H 36 8.568 8.568 8.874 -0.306 19684 5335 1 16 . 1 1 37 37 ALA N N 37 123.910 123.910 126.044 -2.134 19684 5336 1 16 . 1 1 37 37 ALA HA H 37 3.975 3.975 4.060 -0.085 19684 5337 1 16 . 1 1 37 37 ALA C C 37 175.106 175.106 176.684 -1.578 19684 5338 1 16 . 1 1 37 37 ALA CA C 37 53.061 53.061 52.489 0.572 19684 5339 1 16 . 1 1 37 37 ALA CB C 37 19.337 19.337 18.562 0.775 19684 5340 1 16 . 1 1 37 37 ALA H H 37 7.564 7.564 7.678 -0.114 19684 5341 1 16 . 1 1 38 38 ILE N N 38 120.298 120.298 124.321 -4.023 19684 5342 1 16 . 1 1 38 38 ILE HA H 38 4.867 4.867 4.516 0.351 19684 5343 1 16 . 1 1 38 38 ILE C C 38 174.910 174.910 175.339 -0.429 19684 5344 1 16 . 1 1 38 38 ILE CA C 38 58.050 58.050 59.518 -1.468 19684 5345 1 16 . 1 1 38 38 ILE CB C 38 38.080 38.080 37.198 0.882 19684 5346 1 16 . 1 1 38 38 ILE H H 38 7.843 7.843 7.878 -0.035 19684 5347 1 16 . 1 1 39 39 PHE N N 39 124.481 124.481 127.002 -2.521 19684 5348 1 16 . 1 1 39 39 PHE HA H 39 4.889 4.889 5.293 -0.404 19684 5349 1 16 . 1 1 39 39 PHE C C 39 175.106 175.106 175.589 -0.483 19684 5350 1 16 . 1 1 39 39 PHE CA C 39 55.542 55.542 55.967 -0.424 19684 5351 1 16 . 1 1 39 39 PHE CB C 39 42.173 42.173 42.033 0.140 19684 5352 1 16 . 1 1 39 39 PHE H H 39 8.884 8.884 8.925 -0.041 19684 5353 1 16 . 1 1 40 40 GLU N N 40 117.747 117.747 119.806 -2.059 19684 5354 1 16 . 1 1 40 40 GLU HA H 40 4.788 4.788 4.894 -0.106 19684 5355 1 16 . 1 1 40 40 GLU C C 40 175.797 175.797 176.084 -0.287 19684 5356 1 16 . 1 1 40 40 GLU CA C 40 53.945 53.945 55.274 -1.329 19684 5357 1 16 . 1 1 40 40 GLU CB C 40 32.928 32.928 33.634 -0.706 19684 5358 1 16 . 1 1 40 40 GLU H H 40 9.047 9.047 8.279 0.768 19684 5359 1 16 . 1 1 41 41 ASP N N 41 120.461 120.461 119.650 0.811 19684 5360 1 16 . 1 1 41 41 ASP HA H 41 4.331 4.331 4.242 0.089 19684 5361 1 16 . 1 1 41 41 ASP C C 41 175.720 175.720 175.200 0.520 19684 5362 1 16 . 1 1 41 41 ASP CA C 41 54.842 54.842 55.050 -0.208 19684 5363 1 16 . 1 1 41 41 ASP CB C 41 39.241 39.241 40.413 -1.172 19684 5364 1 16 . 1 1 41 41 ASP H H 41 8.875 8.875 8.534 0.341 19684 5365 1 16 . 1 1 42 42 VAL N N 42 120.471 120.471 120.458 0.013 19684 5366 1 16 . 1 1 42 42 VAL HA H 42 4.788 4.788 4.334 0.454 19684 5367 1 16 . 1 1 42 42 VAL C C 42 176.652 176.652 175.389 1.263 19684 5368 1 16 . 1 1 42 42 VAL CA C 42 62.583 62.583 63.996 -1.413 19684 5369 1 16 . 1 1 42 42 VAL CB C 42 31.408 31.408 31.814 -0.406 19684 5370 1 16 . 1 1 42 42 VAL H H 42 8.932 8.932 7.816 1.116 19684 5371 1 16 . 1 1 43 43 GLN N N 43 124.450 124.450 127.338 -2.888 19684 5372 1 16 . 1 1 43 43 GLN HA H 43 4.859 4.859 4.767 0.092 19684 5373 1 16 . 1 1 43 43 GLN C C 43 174.928 174.928 175.091 -0.163 19684 5374 1 16 . 1 1 43 43 GLN CA C 43 53.436 53.436 53.424 0.012 19684 5375 1 16 . 1 1 43 43 GLN CB C 43 33.482 33.482 32.217 1.265 19684 5376 1 16 . 1 1 43 43 GLN H H 43 9.057 9.057 8.961 0.096 19684 5377 1 16 . 1 1 44 44 THR N N 44 116.345 116.345 118.869 -2.524 19684 5378 1 16 . 1 1 44 44 THR HA H 44 4.149 4.149 4.259 -0.110 19684 5379 1 16 . 1 1 44 44 THR C C 44 174.138 174.138 174.489 -0.351 19684 5380 1 16 . 1 1 44 44 THR CA C 44 64.288 64.288 62.980 1.308 19684 5381 1 16 . 1 1 44 44 THR CB C 44 69.164 69.164 68.946 0.218 19684 5382 1 16 . 1 1 44 44 THR H H 44 8.640 8.640 8.547 0.093 19684 5383 1 16 . 1 1 45 45 SER N N 45 119.635 119.635 121.520 -1.885 19684 5384 1 16 . 1 1 45 45 SER HA H 45 4.670 4.670 4.301 0.369 19684 5385 1 16 . 1 1 45 45 SER C C 45 174.304 174.304 175.809 -1.505 19684 5386 1 16 . 1 1 45 45 SER CA C 45 57.064 57.064 58.760 -1.696 19684 5387 1 16 . 1 1 45 45 SER CB C 45 65.275 65.275 64.243 1.032 19684 5388 1 16 . 1 1 45 45 SER H H 45 7.971 7.971 8.051 -0.080 19684 5389 1 16 . 1 1 46 46 ARG N N 46 120.482 120.482 122.891 -2.409 19684 5390 1 16 . 1 1 46 46 ARG HA H 46 4.170 4.170 4.382 -0.212 19684 5391 1 16 . 1 1 46 46 ARG C C 46 176.486 176.486 176.837 -0.351 19684 5392 1 16 . 1 1 46 46 ARG CA C 46 57.675 57.675 56.137 1.538 19684 5393 1 16 . 1 1 46 46 ARG CB C 46 30.019 30.019 29.883 0.136 19684 5394 1 16 . 1 1 46 46 ARG H H 46 8.491 8.491 8.780 -0.289 19684 5395 1 16 . 1 1 47 47 GLU N N 47 121.489 121.489 121.088 0.401 19684 5396 1 16 . 1 1 47 47 GLU HA H 47 4.820 4.820 4.572 0.248 19684 5397 1 16 . 1 1 47 47 GLU C C 47 173.926 173.926 175.168 -1.242 19684 5398 1 16 . 1 1 47 47 GLU CA C 47 52.716 52.716 53.998 -1.282 19684 5399 1 16 . 1 1 47 47 GLU CB C 47 30.039 30.039 29.342 0.697 19684 5400 1 16 . 1 1 47 47 GLU H H 47 8.530 8.530 7.532 0.998 19684 5401 1 16 . 1 1 48 48 PRO HA H 48 4.363 4.363 4.312 0.051 19684 5402 1 16 . 1 1 48 48 PRO C C 48 177.954 177.954 176.988 0.966 19684 5403 1 16 . 1 1 48 48 PRO CA C 48 63.672 63.672 63.846 -0.174 19684 5404 1 16 . 1 1 48 48 PRO CB C 48 31.798 31.798 31.385 0.413 19684 5405 1 16 . 1 1 49 49 GLY N N 49 110.220 110.220 111.044 -0.824 19684 5406 1 16 . 1 1 49 49 GLY C C 49 174.196 174.196 173.644 0.552 19684 5407 1 16 . 1 1 49 49 GLY CA C 49 44.965 44.965 44.886 0.079 19684 5408 1 16 . 1 1 49 49 GLY H H 49 8.660 8.660 8.373 0.287 19684 5409 1 16 . 1 1 50 50 TRP N N 50 120.527 120.527 120.788 -0.261 19684 5410 1 16 . 1 1 50 50 TRP HA H 50 5.098 5.098 5.173 -0.075 19684 5411 1 16 . 1 1 50 50 TRP C C 50 175.686 175.686 175.964 -0.278 19684 5412 1 16 . 1 1 50 50 TRP CA C 50 56.460 56.460 57.015 -0.555 19684 5413 1 16 . 1 1 50 50 TRP CB C 50 31.745 31.745 30.678 1.067 19684 5414 1 16 . 1 1 50 50 TRP H H 50 8.025 8.025 7.723 0.302 19684 5415 1 16 . 1 1 51 51 LEU N N 51 123.575 123.575 120.356 3.219 19684 5416 1 16 . 1 1 51 51 LEU HA H 51 4.966 4.966 4.796 0.170 19684 5417 1 16 . 1 1 51 51 LEU C C 51 175.162 175.162 175.694 -0.532 19684 5418 1 16 . 1 1 51 51 LEU CA C 51 52.643 52.643 53.668 -1.025 19684 5419 1 16 . 1 1 51 51 LEU CB C 51 44.214 44.214 44.876 -0.662 19684 5420 1 16 . 1 1 51 51 LEU H H 51 9.635 9.635 9.032 0.603 19684 5421 1 16 . 1 1 52 52 GLU N N 52 119.825 119.825 118.698 1.127 19684 5422 1 16 . 1 1 52 52 GLU HA H 52 5.180 5.180 5.555 -0.375 19684 5423 1 16 . 1 1 52 52 GLU C C 52 175.082 175.082 175.731 -0.649 19684 5424 1 16 . 1 1 52 52 GLU CA C 52 54.693 54.693 54.450 0.243 19684 5425 1 16 . 1 1 52 52 GLU CB C 52 32.735 32.735 34.301 -1.566 19684 5426 1 16 . 1 1 52 52 GLU H H 52 9.144 9.144 8.643 0.501 19684 5427 1 16 . 1 1 53 53 GLY N N 53 106.528 106.528 109.096 -2.568 19684 5428 1 16 . 1 1 53 53 GLY C C 53 170.278 170.278 172.715 -2.437 19684 5429 1 16 . 1 1 53 53 GLY CA C 53 45.500 45.500 45.174 0.326 19684 5430 1 16 . 1 1 53 53 GLY H H 53 8.500 8.500 8.018 0.482 19684 5431 1 16 . 1 1 54 54 THR N N 54 115.540 115.540 118.127 -2.587 19684 5432 1 16 . 1 1 54 54 THR HA H 54 5.334 5.334 4.983 0.351 19684 5433 1 16 . 1 1 54 54 THR C C 54 173.549 173.549 173.479 0.070 19684 5434 1 16 . 1 1 54 54 THR CA C 54 61.186 61.186 62.843 -1.657 19684 5435 1 16 . 1 1 54 54 THR CB C 54 69.935 69.935 69.949 -0.014 19684 5436 1 16 . 1 1 54 54 THR H H 54 9.085 9.085 8.536 0.549 19684 5437 1 16 . 1 1 55 55 LEU N N 55 128.613 128.613 129.983 -1.370 19684 5438 1 16 . 1 1 55 55 LEU HA H 55 4.842 4.842 4.701 0.141 19684 5439 1 16 . 1 1 55 55 LEU C C 55 176.045 176.045 176.247 -0.202 19684 5440 1 16 . 1 1 55 55 LEU CA C 55 53.387 53.387 53.229 0.158 19684 5441 1 16 . 1 1 55 55 LEU CB C 55 45.579 45.579 44.248 1.331 19684 5442 1 16 . 1 1 55 55 LEU H H 55 9.368 9.368 8.679 0.689 19684 5443 1 16 . 1 1 56 56 ASN N N 56 128.674 128.674 124.379 4.295 19684 5444 1 16 . 1 1 56 56 ASN HA H 56 4.403 4.403 4.335 0.068 19684 5445 1 16 . 1 1 56 56 ASN C C 56 175.457 175.457 175.782 -0.325 19684 5446 1 16 . 1 1 56 56 ASN CA C 56 54.126 54.126 55.841 -1.715 19684 5447 1 16 . 1 1 56 56 ASN CB C 56 37.291 37.291 37.590 -0.299 19684 5448 1 16 . 1 1 56 56 ASN H H 56 9.670 9.670 9.257 0.413 19684 5449 1 16 . 1 1 57 57 GLY N N 57 102.683 102.683 108.300 -5.617 19684 5450 1 16 . 1 1 57 57 GLY C C 57 173.175 173.175 172.529 0.646 19684 5451 1 16 . 1 1 57 57 GLY CA C 57 45.263 45.263 45.165 0.098 19684 5452 1 16 . 1 1 57 57 GLY H H 57 8.441 8.441 8.462 -0.021 19684 5453 1 16 . 1 1 58 58 LYS N N 58 122.749 122.749 121.887 0.862 19684 5454 1 16 . 1 1 58 58 LYS HA H 58 4.621 4.621 4.656 -0.035 19684 5455 1 16 . 1 1 58 58 LYS C C 58 173.237 173.237 174.873 -1.636 19684 5456 1 16 . 1 1 58 58 LYS CA C 58 54.962 54.962 55.160 -0.198 19684 5457 1 16 . 1 1 58 58 LYS CB C 58 34.303 34.303 34.952 -0.649 19684 5458 1 16 . 1 1 58 58 LYS H H 58 7.847 7.847 7.830 0.017 19684 5459 1 16 . 1 1 59 59 ARG N N 59 127.435 127.435 128.349 -0.914 19684 5460 1 16 . 1 1 59 59 ARG HA H 59 5.417 5.417 5.286 0.131 19684 5461 1 16 . 1 1 59 59 ARG C C 59 176.486 176.486 175.777 0.709 19684 5462 1 16 . 1 1 59 59 ARG CA C 59 54.079 54.079 55.004 -0.925 19684 5463 1 16 . 1 1 59 59 ARG CB C 59 31.815 31.815 30.979 0.836 19684 5464 1 16 . 1 1 59 59 ARG H H 59 8.741 8.741 8.712 0.029 19684 5465 1 16 . 1 1 60 60 GLY N N 60 112.447 112.447 112.453 -0.006 19684 5466 1 16 . 1 1 60 60 GLY C C 60 170.709 170.709 172.304 -1.595 19684 5467 1 16 . 1 1 60 60 GLY CA C 60 45.648 45.648 44.715 0.933 19684 5468 1 16 . 1 1 60 60 GLY H H 60 8.745 8.745 8.000 0.745 19684 5469 1 16 . 1 1 61 61 LEU N N 61 117.631 117.631 121.205 -3.574 19684 5470 1 16 . 1 1 61 61 LEU HA H 61 5.330 5.330 4.761 0.569 19684 5471 1 16 . 1 1 61 61 LEU C C 61 178.461 178.461 176.449 2.012 19684 5472 1 16 . 1 1 61 61 LEU CA C 61 54.784 54.784 55.408 -0.625 19684 5473 1 16 . 1 1 61 61 LEU CB C 61 44.075 44.075 42.605 1.470 19684 5474 1 16 . 1 1 61 61 LEU H H 61 8.527 8.527 8.232 0.295 19684 5475 1 16 . 1 1 62 62 ILE N N 62 121.463 121.463 123.790 -2.327 19684 5476 1 16 . 1 1 62 62 ILE HA H 62 4.899 4.899 4.911 -0.012 19684 5477 1 16 . 1 1 62 62 ILE C C 62 172.776 172.776 173.714 -0.938 19684 5478 1 16 . 1 1 62 62 ILE CA C 62 58.089 58.089 58.205 -0.115 19684 5479 1 16 . 1 1 62 62 ILE CB C 62 43.821 43.821 40.580 3.241 19684 5480 1 16 . 1 1 62 62 ILE H H 62 9.387 9.387 9.358 0.029 19684 5481 1 16 . 1 1 63 63 PRO HA H 63 3.610 3.610 3.962 -0.352 19684 5482 1 16 . 1 1 63 63 PRO C C 63 179.007 179.007 177.095 1.912 19684 5483 1 16 . 1 1 63 63 PRO CA C 63 62.475 62.475 62.532 -0.057 19684 5484 1 16 . 1 1 63 63 PRO CB C 63 30.637 30.637 30.998 -0.361 19684 5485 1 16 . 1 1 64 64 GLN N N 64 124.254 124.254 126.656 -2.402 19684 5486 1 16 . 1 1 64 64 GLN HA H 64 3.624 3.624 3.824 -0.200 19684 5487 1 16 . 1 1 64 64 GLN C C 64 176.210 176.210 177.585 -1.375 19684 5488 1 16 . 1 1 64 64 GLN CA C 64 58.984 58.984 59.410 -0.426 19684 5489 1 16 . 1 1 64 64 GLN CB C 64 28.212 28.212 28.498 -0.286 19684 5490 1 16 . 1 1 64 64 GLN H H 64 8.045 8.045 7.907 0.138 19684 5491 1 16 . 1 1 65 65 ASN N N 65 111.289 111.289 116.512 -5.223 19684 5492 1 16 . 1 1 65 65 ASN HA H 65 4.722 4.722 4.620 0.102 19684 5493 1 16 . 1 1 65 65 ASN C C 65 175.720 175.720 176.543 -0.823 19684 5494 1 16 . 1 1 65 65 ASN CA C 65 53.734 53.734 55.510 -1.776 19684 5495 1 16 . 1 1 65 65 ASN CB C 65 36.735 36.735 37.993 -1.258 19684 5496 1 16 . 1 1 65 65 ASN H H 65 8.543 8.543 8.499 0.044 19684 5497 1 16 . 1 1 66 66 TYR N N 66 118.333 118.333 116.108 2.225 19684 5498 1 16 . 1 1 66 66 TYR HA H 66 4.906 4.906 4.998 -0.092 19684 5499 1 16 . 1 1 66 66 TYR C C 66 175.641 175.641 175.457 0.184 19684 5500 1 16 . 1 1 66 66 TYR CA C 66 57.121 57.121 56.119 1.002 19684 5501 1 16 . 1 1 66 66 TYR CB C 66 37.682 37.682 38.511 -0.829 19684 5502 1 16 . 1 1 66 66 TYR H H 66 7.919 7.919 7.795 0.124 19684 5503 1 16 . 1 1 67 67 VAL N N 67 108.796 108.796 112.114 -3.318 19684 5504 1 16 . 1 1 67 67 VAL HA H 67 5.441 5.441 4.929 0.512 19684 5505 1 16 . 1 1 67 67 VAL C C 67 173.714 173.714 174.259 -0.545 19684 5506 1 16 . 1 1 67 67 VAL CA C 67 57.990 57.990 58.982 -0.992 19684 5507 1 16 . 1 1 67 67 VAL CB C 67 35.467 35.467 35.801 -0.334 19684 5508 1 16 . 1 1 67 67 VAL H H 67 7.341 7.341 7.397 -0.056 19684 5509 1 16 . 1 1 68 68 LYS N N 68 120.974 120.974 121.291 -0.317 19684 5510 1 16 . 1 1 68 68 LYS HA H 68 4.692 4.692 4.610 0.082 19684 5511 1 16 . 1 1 68 68 LYS C C 68 175.962 175.962 175.919 0.043 19684 5512 1 16 . 1 1 68 68 LYS CA C 68 54.108 54.108 54.861 -0.753 19684 5513 1 16 . 1 1 68 68 LYS CB C 68 35.051 35.051 35.142 -0.091 19684 5514 1 16 . 1 1 68 68 LYS H H 68 8.907 8.907 8.406 0.501 19684 5515 1 16 . 1 1 69 69 LEU N N 69 126.343 126.343 127.619 -1.276 19684 5516 1 16 . 1 1 69 69 LEU HA H 69 4.392 4.392 4.356 0.036 19684 5517 1 16 . 1 1 69 69 LEU C C 69 176.293 176.293 177.004 -0.711 19684 5518 1 16 . 1 1 69 69 LEU CA C 69 55.627 55.627 55.970 -0.343 19684 5519 1 16 . 1 1 69 69 LEU CB C 69 41.278 41.278 41.239 0.039 19684 5520 1 16 . 1 1 69 69 LEU H H 69 8.791 8.791 8.629 0.162 19684 5521 1 17 . 1 1 2 2 GLY N N 2 113.935 113.935 113.601 0.334 19684 5522 1 17 . 1 1 2 2 GLY CA C 2 43.362 43.362 45.426 -2.064 19684 5523 1 17 . 1 1 2 2 GLY H H 2 8.251 8.251 8.378 -0.127 19684 5524 1 17 . 1 1 9 9 SER HA H 9 4.375 4.375 4.425 -0.050 19684 5525 1 17 . 1 1 9 9 SER CA C 9 58.422 58.422 59.582 -1.160 19684 5526 1 17 . 1 1 9 9 SER CB C 9 63.552 63.552 64.071 -0.519 19684 5527 1 17 . 1 1 10 10 HIS HA H 10 4.622 4.622 4.601 0.021 19684 5528 1 17 . 1 1 10 10 HIS C C 10 174.853 174.853 173.182 1.671 19684 5529 1 17 . 1 1 10 10 HIS CA C 10 55.967 55.967 55.215 0.752 19684 5530 1 17 . 1 1 10 10 HIS CB C 10 30.242 30.242 31.420 -1.178 19684 5531 1 17 . 1 1 11 11 MET N N 11 121.242 121.242 125.069 -3.827 19684 5532 1 17 . 1 1 11 11 MET HA H 11 4.432 4.432 4.268 0.164 19684 5533 1 17 . 1 1 11 11 MET C C 11 175.804 175.804 175.033 0.771 19684 5534 1 17 . 1 1 11 11 MET CA C 11 55.487 55.487 55.433 0.054 19684 5535 1 17 . 1 1 11 11 MET CB C 11 32.712 32.712 33.471 -0.759 19684 5536 1 17 . 1 1 11 11 MET H H 11 8.210 8.210 8.225 -0.015 19684 5537 1 17 . 1 1 12 12 ILE N N 12 122.708 122.708 119.522 3.186 19684 5538 1 17 . 1 1 12 12 ILE HA H 12 4.173 4.173 3.822 0.351 19684 5539 1 17 . 1 1 12 12 ILE C C 12 175.916 175.916 174.240 1.676 19684 5540 1 17 . 1 1 12 12 ILE CA C 12 60.878 60.878 61.789 -0.911 19684 5541 1 17 . 1 1 12 12 ILE CB C 12 38.534 38.534 36.770 1.764 19684 5542 1 17 . 1 1 12 12 ILE H H 12 8.236 8.236 8.394 -0.158 19684 5543 1 17 . 1 1 13 13 ARG N N 13 125.079 125.079 120.728 4.351 19684 5544 1 17 . 1 1 13 13 ARG HA H 13 4.472 4.472 4.692 -0.220 19684 5545 1 17 . 1 1 13 13 ARG C C 13 175.573 175.573 175.678 -0.105 19684 5546 1 17 . 1 1 13 13 ARG CA C 13 55.645 55.645 56.217 -0.572 19684 5547 1 17 . 1 1 13 13 ARG CB C 13 31.256 31.256 32.346 -1.090 19684 5548 1 17 . 1 1 13 13 ARG H H 13 8.386 8.386 8.027 0.359 19684 5549 1 17 . 1 1 14 14 SER N N 14 117.250 117.250 113.886 3.364 19684 5550 1 17 . 1 1 14 14 SER HA H 14 4.441 4.441 4.516 -0.075 19684 5551 1 17 . 1 1 14 14 SER C C 14 174.090 174.090 174.516 -0.426 19684 5552 1 17 . 1 1 14 14 SER CA C 14 58.062 58.062 58.206 -0.144 19684 5553 1 17 . 1 1 14 14 SER CB C 14 63.638 63.638 63.284 0.354 19684 5554 1 17 . 1 1 14 14 SER H H 14 8.386 8.386 8.139 0.247 19684 5555 1 17 . 1 1 15 15 ARG N N 15 123.266 123.266 122.082 1.184 19684 5556 1 17 . 1 1 15 15 ARG HA H 15 4.651 4.651 4.517 0.134 19684 5557 1 17 . 1 1 15 15 ARG C C 15 174.913 174.913 174.922 -0.009 19684 5558 1 17 . 1 1 15 15 ARG CA C 15 54.960 54.960 55.368 -0.408 19684 5559 1 17 . 1 1 15 15 ARG CB C 15 31.574 31.574 32.186 -0.612 19684 5560 1 17 . 1 1 15 15 ARG H H 15 8.721 8.721 8.096 0.625 19684 5561 1 17 . 1 1 16 16 LYS N N 16 120.105 120.105 120.299 -0.194 19684 5562 1 17 . 1 1 16 16 LYS HA H 16 5.315 5.315 5.419 -0.104 19684 5563 1 17 . 1 1 16 16 LYS C C 16 175.755 175.755 175.415 0.340 19684 5564 1 17 . 1 1 16 16 LYS CA C 16 54.926 54.926 55.180 -0.254 19684 5565 1 17 . 1 1 16 16 LYS CB C 16 36.741 36.741 35.584 1.157 19684 5566 1 17 . 1 1 16 16 LYS H H 16 8.406 8.406 8.430 -0.024 19684 5567 1 17 . 1 1 17 17 ALA N N 17 118.564 118.564 122.931 -4.367 19684 5568 1 17 . 1 1 17 17 ALA HA H 17 5.256 5.256 5.127 0.129 19684 5569 1 17 . 1 1 17 17 ALA C C 17 173.884 173.884 175.189 -1.305 19684 5570 1 17 . 1 1 17 17 ALA CA C 17 50.673 50.673 50.565 0.108 19684 5571 1 17 . 1 1 17 17 ALA CB C 17 23.580 23.580 23.486 0.094 19684 5572 1 17 . 1 1 17 17 ALA H H 17 8.310 8.310 8.761 -0.451 19684 5573 1 17 . 1 1 18 18 ARG N N 18 119.872 119.872 120.580 -0.708 19684 5574 1 17 . 1 1 18 18 ARG HA H 18 5.755 5.755 5.051 0.704 19684 5575 1 17 . 1 1 18 18 ARG C C 18 176.196 176.196 174.900 1.296 19684 5576 1 17 . 1 1 18 18 ARG CA C 18 53.023 53.023 54.715 -1.692 19684 5577 1 17 . 1 1 18 18 ARG CB C 18 34.603 34.603 34.143 0.460 19684 5578 1 17 . 1 1 18 18 ARG H H 18 9.008 9.008 8.792 0.216 19684 5579 1 17 . 1 1 19 19 ALA N N 19 127.577 127.577 130.341 -2.764 19684 5580 1 17 . 1 1 19 19 ALA HA H 19 4.828 4.828 4.522 0.306 19684 5581 1 17 . 1 1 19 19 ALA C C 19 178.887 178.887 177.186 1.701 19684 5582 1 17 . 1 1 19 19 ALA CA C 19 53.215 53.215 52.560 0.655 19684 5583 1 17 . 1 1 19 19 ALA CB C 19 21.164 21.164 18.937 2.227 19684 5584 1 17 . 1 1 19 19 ALA H H 19 9.456 9.456 8.773 0.683 19684 5585 1 17 . 1 1 20 20 VAL N N 20 120.989 120.989 120.842 0.147 19684 5586 1 17 . 1 1 20 20 VAL HA H 20 4.233 4.233 4.245 -0.012 19684 5587 1 17 . 1 1 20 20 VAL C C 20 173.478 173.478 175.268 -1.790 19684 5588 1 17 . 1 1 20 20 VAL CA C 20 61.659 61.659 62.765 -1.106 19684 5589 1 17 . 1 1 20 20 VAL CB C 20 32.406 32.406 32.359 0.047 19684 5590 1 17 . 1 1 20 20 VAL H H 20 9.261 9.261 8.353 0.908 19684 5591 1 17 . 1 1 21 21 TYR N N 21 120.793 120.793 119.909 0.884 19684 5592 1 17 . 1 1 21 21 TYR HA H 21 4.917 4.917 4.926 -0.009 19684 5593 1 17 . 1 1 21 21 TYR C C 21 171.768 171.768 173.450 -1.682 19684 5594 1 17 . 1 1 21 21 TYR CA C 21 54.783 54.783 55.006 -0.223 19684 5595 1 17 . 1 1 21 21 TYR CB C 21 41.028 41.028 39.069 1.959 19684 5596 1 17 . 1 1 21 21 TYR H H 21 7.740 7.740 8.010 -0.270 19684 5597 1 17 . 1 1 22 22 PRO HA H 22 4.569 4.569 4.838 -0.269 19684 5598 1 17 . 1 1 22 22 PRO C C 22 175.447 175.447 175.174 0.273 19684 5599 1 17 . 1 1 22 22 PRO CA C 22 61.784 61.784 62.120 -0.336 19684 5600 1 17 . 1 1 22 22 PRO CB C 22 32.301 32.301 32.855 -0.554 19684 5601 1 17 . 1 1 23 23 CYS N N 23 117.584 117.584 117.763 -0.179 19684 5602 1 17 . 1 1 23 23 CYS HA H 23 4.369 4.369 4.552 -0.183 19684 5603 1 17 . 1 1 23 23 CYS C C 23 173.409 173.409 172.921 0.488 19684 5604 1 17 . 1 1 23 23 CYS CA C 23 58.325 58.325 57.377 0.949 19684 5605 1 17 . 1 1 23 23 CYS CB C 23 30.008 30.008 29.959 0.049 19684 5606 1 17 . 1 1 23 23 CYS H H 23 8.265 8.265 8.198 0.067 19684 5607 1 17 . 1 1 24 24 GLU N N 24 131.184 131.184 124.580 6.604 19684 5608 1 17 . 1 1 24 24 GLU HA H 24 4.539 4.539 4.517 0.022 19684 5609 1 17 . 1 1 24 24 GLU C C 24 174.814 174.814 174.700 0.114 19684 5610 1 17 . 1 1 24 24 GLU CA C 24 54.416 54.416 54.693 -0.277 19684 5611 1 17 . 1 1 24 24 GLU CB C 24 30.172 30.172 30.688 -0.516 19684 5612 1 17 . 1 1 24 24 GLU H H 24 8.594 8.594 8.702 -0.108 19684 5613 1 17 . 1 1 25 25 ALA N N 25 128.937 128.937 129.126 -0.189 19684 5614 1 17 . 1 1 25 25 ALA HA H 25 4.180 4.180 4.412 -0.232 19684 5615 1 17 . 1 1 25 25 ALA C C 25 178.154 178.154 177.835 0.319 19684 5616 1 17 . 1 1 25 25 ALA CA C 25 52.809 52.809 52.272 0.537 19684 5617 1 17 . 1 1 25 25 ALA CB C 25 20.779 20.779 18.842 1.937 19684 5618 1 17 . 1 1 25 25 ALA H H 25 8.555 8.555 8.541 0.014 19684 5619 1 17 . 1 1 26 26 GLU N N 26 119.582 119.582 123.869 -4.287 19684 5620 1 17 . 1 1 26 26 GLU HA H 26 4.268 4.268 4.092 0.176 19684 5621 1 17 . 1 1 26 26 GLU C C 26 175.916 175.916 176.999 -1.083 19684 5622 1 17 . 1 1 26 26 GLU CA C 26 56.345 56.345 58.254 -1.909 19684 5623 1 17 . 1 1 26 26 GLU CB C 26 31.091 31.091 30.261 0.830 19684 5624 1 17 . 1 1 26 26 GLU H H 26 8.613 8.613 8.876 -0.263 19684 5625 1 17 . 1 1 27 27 HIS N N 27 115.533 115.533 116.341 -0.808 19684 5626 1 17 . 1 1 27 27 HIS C C 27 175.986 175.986 175.916 0.070 19684 5627 1 17 . 1 1 27 27 HIS CA C 27 54.711 54.711 53.973 0.738 19684 5628 1 17 . 1 1 27 27 HIS CB C 27 32.077 32.077 32.361 -0.284 19684 5629 1 17 . 1 1 27 27 HIS H H 27 7.418 7.418 8.036 -0.618 19684 5630 1 17 . 1 1 28 28 SER HA H 28 4.255 4.255 4.285 -0.030 19684 5631 1 17 . 1 1 28 28 SER C C 28 174.619 174.619 175.677 -1.058 19684 5632 1 17 . 1 1 28 28 SER CA C 28 60.985 60.985 61.123 -0.138 19684 5633 1 17 . 1 1 28 28 SER CB C 28 62.890 62.890 63.188 -0.298 19684 5634 1 17 . 1 1 29 29 SER N N 29 114.287 114.287 115.347 -1.060 19684 5635 1 17 . 1 1 29 29 SER HA H 29 4.405 4.405 4.455 -0.050 19684 5636 1 17 . 1 1 29 29 SER C C 29 174.305 174.305 174.464 -0.159 19684 5637 1 17 . 1 1 29 29 SER CA C 29 58.564 58.564 59.959 -1.395 19684 5638 1 17 . 1 1 29 29 SER CB C 29 62.953 62.953 63.444 -0.491 19684 5639 1 17 . 1 1 29 29 SER H H 29 8.207 8.207 8.588 -0.381 19684 5640 1 17 . 1 1 30 30 GLU N N 30 122.312 122.312 120.963 1.349 19684 5641 1 17 . 1 1 30 30 GLU HA H 30 4.690 4.690 4.673 0.017 19684 5642 1 17 . 1 1 30 30 GLU C C 30 175.373 175.373 176.391 -1.018 19684 5643 1 17 . 1 1 30 30 GLU CA C 30 54.894 54.894 56.181 -1.287 19684 5644 1 17 . 1 1 30 30 GLU CB C 30 31.495 31.495 31.094 0.401 19684 5645 1 17 . 1 1 30 30 GLU H H 30 7.798 7.798 7.446 0.352 19684 5646 1 17 . 1 1 31 31 LEU N N 31 118.829 118.829 121.593 -2.764 19684 5647 1 17 . 1 1 31 31 LEU HA H 31 4.686 4.686 4.793 -0.107 19684 5648 1 17 . 1 1 31 31 LEU C C 31 177.013 177.013 176.540 0.473 19684 5649 1 17 . 1 1 31 31 LEU CA C 31 54.627 54.627 54.089 0.538 19684 5650 1 17 . 1 1 31 31 LEU CB C 31 43.640 43.640 43.730 -0.090 19684 5651 1 17 . 1 1 31 31 LEU H H 31 8.084 8.084 8.484 -0.400 19684 5652 1 17 . 1 1 32 32 SER N N 32 115.422 115.422 117.803 -2.381 19684 5653 1 17 . 1 1 32 32 SER HA H 32 4.863 4.863 4.646 0.217 19684 5654 1 17 . 1 1 32 32 SER C C 32 173.966 173.966 174.011 -0.045 19684 5655 1 17 . 1 1 32 32 SER CA C 32 57.745 57.745 57.741 0.004 19684 5656 1 17 . 1 1 32 32 SER CB C 32 64.735 64.735 65.010 -0.275 19684 5657 1 17 . 1 1 32 32 SER H H 32 8.054 8.054 8.450 -0.396 19684 5658 1 17 . 1 1 33 33 PHE N N 33 116.920 116.920 118.788 -1.868 19684 5659 1 17 . 1 1 33 33 PHE HA H 33 4.889 4.889 4.963 -0.074 19684 5660 1 17 . 1 1 33 33 PHE C C 33 173.660 173.660 173.262 0.398 19684 5661 1 17 . 1 1 33 33 PHE CA C 33 56.261 56.261 56.801 -0.540 19684 5662 1 17 . 1 1 33 33 PHE CB C 33 39.272 39.272 40.560 -1.288 19684 5663 1 17 . 1 1 33 33 PHE H H 33 8.697 8.697 8.476 0.221 19684 5664 1 17 . 1 1 34 34 GLU N N 34 119.852 119.852 118.556 1.296 19684 5665 1 17 . 1 1 34 34 GLU HA H 34 4.622 4.622 4.875 -0.253 19684 5666 1 17 . 1 1 34 34 GLU C C 34 176.044 176.044 175.391 0.653 19684 5667 1 17 . 1 1 34 34 GLU CA C 34 53.759 53.759 54.333 -0.574 19684 5668 1 17 . 1 1 34 34 GLU CB C 34 31.878 31.878 32.827 -0.949 19684 5669 1 17 . 1 1 34 34 GLU H H 34 8.616 8.616 8.805 -0.189 19684 5670 1 17 . 1 1 35 35 ILE N N 35 118.386 118.386 120.589 -2.203 19684 5671 1 17 . 1 1 35 35 ILE HA H 35 3.173 3.173 4.022 -0.849 19684 5672 1 17 . 1 1 35 35 ILE C C 35 177.205 177.205 177.445 -0.240 19684 5673 1 17 . 1 1 35 35 ILE CA C 35 64.926 64.926 63.038 1.888 19684 5674 1 17 . 1 1 35 35 ILE CB C 35 38.013 38.013 37.255 0.758 19684 5675 1 17 . 1 1 35 35 ILE H H 35 8.428 8.428 8.614 -0.186 19684 5676 1 17 . 1 1 36 36 GLY N N 36 114.528 114.528 116.176 -1.648 19684 5677 1 17 . 1 1 36 36 GLY C C 36 173.669 173.669 174.033 -0.364 19684 5678 1 17 . 1 1 36 36 GLY CA C 36 44.601 44.601 44.720 -0.119 19684 5679 1 17 . 1 1 36 36 GLY H H 36 8.568 8.568 9.027 -0.459 19684 5680 1 17 . 1 1 37 37 ALA N N 37 123.910 123.910 125.788 -1.878 19684 5681 1 17 . 1 1 37 37 ALA HA H 37 3.975 3.975 4.152 -0.177 19684 5682 1 17 . 1 1 37 37 ALA C C 37 175.106 175.106 176.707 -1.601 19684 5683 1 17 . 1 1 37 37 ALA CA C 37 53.061 53.061 52.438 0.623 19684 5684 1 17 . 1 1 37 37 ALA CB C 37 19.337 19.337 18.822 0.515 19684 5685 1 17 . 1 1 37 37 ALA H H 37 7.564 7.564 7.523 0.041 19684 5686 1 17 . 1 1 38 38 ILE N N 38 120.298 120.298 124.048 -3.750 19684 5687 1 17 . 1 1 38 38 ILE HA H 38 4.867 4.867 4.508 0.359 19684 5688 1 17 . 1 1 38 38 ILE C C 38 174.910 174.910 175.438 -0.528 19684 5689 1 17 . 1 1 38 38 ILE CA C 38 58.050 58.050 59.242 -1.192 19684 5690 1 17 . 1 1 38 38 ILE CB C 38 38.080 38.080 37.502 0.578 19684 5691 1 17 . 1 1 38 38 ILE H H 38 7.843 7.843 7.953 -0.110 19684 5692 1 17 . 1 1 39 39 PHE N N 39 124.481 124.481 126.516 -2.035 19684 5693 1 17 . 1 1 39 39 PHE HA H 39 4.889 4.889 5.287 -0.398 19684 5694 1 17 . 1 1 39 39 PHE C C 39 175.106 175.106 175.841 -0.735 19684 5695 1 17 . 1 1 39 39 PHE CA C 39 55.542 55.542 56.194 -0.652 19684 5696 1 17 . 1 1 39 39 PHE CB C 39 42.173 42.173 41.627 0.546 19684 5697 1 17 . 1 1 39 39 PHE H H 39 8.884 8.884 8.758 0.126 19684 5698 1 17 . 1 1 40 40 GLU N N 40 117.747 117.747 120.572 -2.825 19684 5699 1 17 . 1 1 40 40 GLU HA H 40 4.788 4.788 4.787 0.001 19684 5700 1 17 . 1 1 40 40 GLU C C 40 175.797 175.797 176.609 -0.812 19684 5701 1 17 . 1 1 40 40 GLU CA C 40 53.945 53.945 55.554 -1.609 19684 5702 1 17 . 1 1 40 40 GLU CB C 40 32.928 32.928 32.377 0.551 19684 5703 1 17 . 1 1 40 40 GLU H H 40 9.047 9.047 8.822 0.226 19684 5704 1 17 . 1 1 41 41 ASP N N 41 120.461 120.461 116.930 3.531 19684 5705 1 17 . 1 1 41 41 ASP HA H 41 4.331 4.331 4.516 -0.185 19684 5706 1 17 . 1 1 41 41 ASP C C 41 175.720 175.720 175.561 0.159 19684 5707 1 17 . 1 1 41 41 ASP CA C 41 54.842 54.842 55.931 -1.089 19684 5708 1 17 . 1 1 41 41 ASP CB C 41 39.241 39.241 39.947 -0.706 19684 5709 1 17 . 1 1 41 41 ASP H H 41 8.875 8.875 8.559 0.316 19684 5710 1 17 . 1 1 42 42 VAL N N 42 120.471 120.471 118.944 1.527 19684 5711 1 17 . 1 1 42 42 VAL HA H 42 4.788 4.788 4.075 0.713 19684 5712 1 17 . 1 1 42 42 VAL C C 42 176.652 176.652 176.086 0.566 19684 5713 1 17 . 1 1 42 42 VAL CA C 42 62.583 62.583 63.394 -0.811 19684 5714 1 17 . 1 1 42 42 VAL CB C 42 31.408 31.408 30.639 0.770 19684 5715 1 17 . 1 1 42 42 VAL H H 42 8.932 8.932 7.904 1.028 19684 5716 1 17 . 1 1 43 43 GLN N N 43 124.450 124.450 126.424 -1.974 19684 5717 1 17 . 1 1 43 43 GLN HA H 43 4.859 4.859 4.710 0.149 19684 5718 1 17 . 1 1 43 43 GLN C C 43 174.928 174.928 174.962 -0.034 19684 5719 1 17 . 1 1 43 43 GLN CA C 43 53.436 53.436 54.029 -0.593 19684 5720 1 17 . 1 1 43 43 GLN CB C 43 33.482 33.482 32.870 0.612 19684 5721 1 17 . 1 1 43 43 GLN H H 43 9.057 9.057 8.687 0.370 19684 5722 1 17 . 1 1 44 44 THR N N 44 116.345 116.345 116.816 -0.471 19684 5723 1 17 . 1 1 44 44 THR HA H 44 4.149 4.149 4.363 -0.214 19684 5724 1 17 . 1 1 44 44 THR C C 44 174.138 174.138 174.827 -0.689 19684 5725 1 17 . 1 1 44 44 THR CA C 44 64.288 64.288 63.148 1.140 19684 5726 1 17 . 1 1 44 44 THR CB C 44 69.164 69.164 69.114 0.050 19684 5727 1 17 . 1 1 44 44 THR H H 44 8.640 8.640 8.421 0.219 19684 5728 1 17 . 1 1 45 45 SER N N 45 119.635 119.635 120.957 -1.322 19684 5729 1 17 . 1 1 45 45 SER HA H 45 4.670 4.670 4.622 0.048 19684 5730 1 17 . 1 1 45 45 SER C C 45 174.304 174.304 175.587 -1.283 19684 5731 1 17 . 1 1 45 45 SER CA C 45 57.064 57.064 57.760 -0.696 19684 5732 1 17 . 1 1 45 45 SER CB C 45 65.275 65.275 64.770 0.505 19684 5733 1 17 . 1 1 45 45 SER H H 45 7.971 7.971 8.580 -0.609 19684 5734 1 17 . 1 1 46 46 ARG N N 46 120.482 120.482 117.768 2.714 19684 5735 1 17 . 1 1 46 46 ARG HA H 46 4.170 4.170 4.156 0.014 19684 5736 1 17 . 1 1 46 46 ARG C C 46 176.486 176.486 176.976 -0.490 19684 5737 1 17 . 1 1 46 46 ARG CA C 46 57.675 57.675 57.815 -0.140 19684 5738 1 17 . 1 1 46 46 ARG CB C 46 30.019 30.019 30.174 -0.155 19684 5739 1 17 . 1 1 46 46 ARG H H 46 8.491 8.491 8.311 0.180 19684 5740 1 17 . 1 1 47 47 GLU N N 47 121.489 121.489 120.291 1.198 19684 5741 1 17 . 1 1 47 47 GLU HA H 47 4.820 4.820 4.732 0.088 19684 5742 1 17 . 1 1 47 47 GLU C C 47 173.926 173.926 175.142 -1.216 19684 5743 1 17 . 1 1 47 47 GLU CA C 47 52.716 52.716 52.700 0.016 19684 5744 1 17 . 1 1 47 47 GLU CB C 47 30.039 30.039 30.706 -0.667 19684 5745 1 17 . 1 1 47 47 GLU H H 47 8.530 8.530 7.773 0.757 19684 5746 1 17 . 1 1 48 48 PRO HA H 48 4.363 4.363 4.384 -0.021 19684 5747 1 17 . 1 1 48 48 PRO C C 48 177.954 177.954 177.178 0.776 19684 5748 1 17 . 1 1 48 48 PRO CA C 48 63.672 63.672 64.452 -0.780 19684 5749 1 17 . 1 1 48 48 PRO CB C 48 31.798 31.798 32.072 -0.274 19684 5750 1 17 . 1 1 49 49 GLY N N 49 110.220 110.220 107.099 3.121 19684 5751 1 17 . 1 1 49 49 GLY C C 49 174.196 174.196 173.394 0.802 19684 5752 1 17 . 1 1 49 49 GLY CA C 49 44.965 44.965 44.719 0.246 19684 5753 1 17 . 1 1 49 49 GLY H H 49 8.660 8.660 8.718 -0.058 19684 5754 1 17 . 1 1 50 50 TRP N N 50 120.527 120.527 119.807 0.720 19684 5755 1 17 . 1 1 50 50 TRP HA H 50 5.098 5.098 5.090 0.008 19684 5756 1 17 . 1 1 50 50 TRP C C 50 175.686 175.686 175.482 0.204 19684 5757 1 17 . 1 1 50 50 TRP CA C 50 56.460 56.460 56.693 -0.233 19684 5758 1 17 . 1 1 50 50 TRP CB C 50 31.745 31.745 31.605 0.140 19684 5759 1 17 . 1 1 50 50 TRP H H 50 8.025 8.025 7.332 0.693 19684 5760 1 17 . 1 1 51 51 LEU N N 51 123.575 123.575 119.554 4.021 19684 5761 1 17 . 1 1 51 51 LEU HA H 51 4.966 4.966 5.069 -0.103 19684 5762 1 17 . 1 1 51 51 LEU C C 51 175.162 175.162 175.626 -0.464 19684 5763 1 17 . 1 1 51 51 LEU CA C 51 52.643 52.643 53.605 -0.962 19684 5764 1 17 . 1 1 51 51 LEU CB C 51 44.214 44.214 45.262 -1.048 19684 5765 1 17 . 1 1 51 51 LEU H H 51 9.635 9.635 9.031 0.604 19684 5766 1 17 . 1 1 52 52 GLU N N 52 119.825 119.825 120.523 -0.698 19684 5767 1 17 . 1 1 52 52 GLU HA H 52 5.180 5.180 5.472 -0.292 19684 5768 1 17 . 1 1 52 52 GLU C C 52 175.082 175.082 175.957 -0.875 19684 5769 1 17 . 1 1 52 52 GLU CA C 52 54.693 54.693 54.572 0.121 19684 5770 1 17 . 1 1 52 52 GLU CB C 52 32.735 32.735 33.694 -0.959 19684 5771 1 17 . 1 1 52 52 GLU H H 52 9.144 9.144 8.412 0.732 19684 5772 1 17 . 1 1 53 53 GLY N N 53 106.528 106.528 110.414 -3.886 19684 5773 1 17 . 1 1 53 53 GLY C C 53 170.278 170.278 172.661 -2.383 19684 5774 1 17 . 1 1 53 53 GLY CA C 53 45.500 45.500 45.528 -0.028 19684 5775 1 17 . 1 1 53 53 GLY H H 53 8.500 8.500 7.986 0.514 19684 5776 1 17 . 1 1 54 54 THR N N 54 115.540 115.540 117.593 -2.053 19684 5777 1 17 . 1 1 54 54 THR HA H 54 5.334 5.334 4.841 0.493 19684 5778 1 17 . 1 1 54 54 THR C C 54 173.549 173.549 173.365 0.184 19684 5779 1 17 . 1 1 54 54 THR CA C 54 61.186 61.186 63.325 -2.139 19684 5780 1 17 . 1 1 54 54 THR CB C 54 69.935 69.935 70.197 -0.262 19684 5781 1 17 . 1 1 54 54 THR H H 54 9.085 9.085 8.671 0.414 19684 5782 1 17 . 1 1 55 55 LEU N N 55 128.613 128.613 129.128 -0.515 19684 5783 1 17 . 1 1 55 55 LEU HA H 55 4.842 4.842 4.764 0.078 19684 5784 1 17 . 1 1 55 55 LEU C C 55 176.045 176.045 176.164 -0.119 19684 5785 1 17 . 1 1 55 55 LEU CA C 55 53.387 53.387 53.263 0.124 19684 5786 1 17 . 1 1 55 55 LEU CB C 55 45.579 45.579 43.681 1.898 19684 5787 1 17 . 1 1 55 55 LEU H H 55 9.368 9.368 8.392 0.976 19684 5788 1 17 . 1 1 56 56 ASN N N 56 128.674 128.674 123.109 5.565 19684 5789 1 17 . 1 1 56 56 ASN HA H 56 4.403 4.403 4.371 0.032 19684 5790 1 17 . 1 1 56 56 ASN C C 56 175.457 175.457 175.668 -0.211 19684 5791 1 17 . 1 1 56 56 ASN CA C 56 54.126 54.126 55.249 -1.123 19684 5792 1 17 . 1 1 56 56 ASN CB C 56 37.291 37.291 37.270 0.021 19684 5793 1 17 . 1 1 56 56 ASN H H 56 9.670 9.670 9.041 0.629 19684 5794 1 17 . 1 1 57 57 GLY N N 57 102.683 102.683 107.209 -4.526 19684 5795 1 17 . 1 1 57 57 GLY C C 57 173.175 173.175 172.574 0.601 19684 5796 1 17 . 1 1 57 57 GLY CA C 57 45.263 45.263 45.252 0.011 19684 5797 1 17 . 1 1 57 57 GLY H H 57 8.441 8.441 8.383 0.058 19684 5798 1 17 . 1 1 58 58 LYS N N 58 122.749 122.749 121.705 1.044 19684 5799 1 17 . 1 1 58 58 LYS HA H 58 4.621 4.621 4.631 -0.010 19684 5800 1 17 . 1 1 58 58 LYS C C 58 173.237 173.237 175.055 -1.818 19684 5801 1 17 . 1 1 58 58 LYS CA C 58 54.962 54.962 55.234 -0.272 19684 5802 1 17 . 1 1 58 58 LYS CB C 58 34.303 34.303 35.090 -0.787 19684 5803 1 17 . 1 1 58 58 LYS H H 58 7.847 7.847 7.752 0.095 19684 5804 1 17 . 1 1 59 59 ARG N N 59 127.435 127.435 128.344 -0.909 19684 5805 1 17 . 1 1 59 59 ARG HA H 59 5.417 5.417 5.457 -0.040 19684 5806 1 17 . 1 1 59 59 ARG C C 59 176.486 176.486 175.695 0.791 19684 5807 1 17 . 1 1 59 59 ARG CA C 59 54.079 54.079 55.384 -1.305 19684 5808 1 17 . 1 1 59 59 ARG CB C 59 31.815 31.815 32.235 -0.420 19684 5809 1 17 . 1 1 59 59 ARG H H 59 8.741 8.741 8.766 -0.025 19684 5810 1 17 . 1 1 60 60 GLY N N 60 112.447 112.447 110.898 1.549 19684 5811 1 17 . 1 1 60 60 GLY C C 60 170.709 170.709 172.415 -1.706 19684 5812 1 17 . 1 1 60 60 GLY CA C 60 45.648 45.648 45.005 0.643 19684 5813 1 17 . 1 1 60 60 GLY H H 60 8.745 8.745 7.986 0.759 19684 5814 1 17 . 1 1 61 61 LEU N N 61 117.631 117.631 121.431 -3.800 19684 5815 1 17 . 1 1 61 61 LEU HA H 61 5.330 5.330 4.378 0.952 19684 5816 1 17 . 1 1 61 61 LEU C C 61 178.461 178.461 176.375 2.086 19684 5817 1 17 . 1 1 61 61 LEU CA C 61 54.784 54.784 55.989 -1.205 19684 5818 1 17 . 1 1 61 61 LEU CB C 61 44.075 44.075 42.134 1.941 19684 5819 1 17 . 1 1 61 61 LEU H H 61 8.527 8.527 8.120 0.407 19684 5820 1 17 . 1 1 62 62 ILE N N 62 121.463 121.463 123.877 -2.414 19684 5821 1 17 . 1 1 62 62 ILE HA H 62 4.899 4.899 4.844 0.055 19684 5822 1 17 . 1 1 62 62 ILE C C 62 172.776 172.776 173.710 -0.934 19684 5823 1 17 . 1 1 62 62 ILE CA C 62 58.089 58.089 58.114 -0.025 19684 5824 1 17 . 1 1 62 62 ILE CB C 62 43.821 43.821 40.275 3.546 19684 5825 1 17 . 1 1 62 62 ILE H H 62 9.387 9.387 9.296 0.091 19684 5826 1 17 . 1 1 63 63 PRO HA H 63 3.610 3.610 3.786 -0.176 19684 5827 1 17 . 1 1 63 63 PRO C C 63 179.007 179.007 176.796 2.211 19684 5828 1 17 . 1 1 63 63 PRO CA C 63 62.475 62.475 62.471 0.004 19684 5829 1 17 . 1 1 63 63 PRO CB C 63 30.637 30.637 31.284 -0.647 19684 5830 1 17 . 1 1 64 64 GLN N N 64 124.254 124.254 125.604 -1.350 19684 5831 1 17 . 1 1 64 64 GLN HA H 64 3.624 3.624 3.788 -0.164 19684 5832 1 17 . 1 1 64 64 GLN C C 64 176.210 176.210 177.527 -1.317 19684 5833 1 17 . 1 1 64 64 GLN CA C 64 58.984 58.984 59.464 -0.480 19684 5834 1 17 . 1 1 64 64 GLN CB C 64 28.212 28.212 28.244 -0.032 19684 5835 1 17 . 1 1 64 64 GLN H H 64 8.045 8.045 8.471 -0.426 19684 5836 1 17 . 1 1 65 65 ASN N N 65 111.289 111.289 115.817 -4.528 19684 5837 1 17 . 1 1 65 65 ASN HA H 65 4.722 4.722 4.567 0.155 19684 5838 1 17 . 1 1 65 65 ASN C C 65 175.720 175.720 176.656 -0.936 19684 5839 1 17 . 1 1 65 65 ASN CA C 65 53.734 53.734 55.743 -2.009 19684 5840 1 17 . 1 1 65 65 ASN CB C 65 36.735 36.735 38.115 -1.380 19684 5841 1 17 . 1 1 65 65 ASN H H 65 8.543 8.543 8.357 0.186 19684 5842 1 17 . 1 1 66 66 TYR N N 66 118.333 118.333 116.476 1.857 19684 5843 1 17 . 1 1 66 66 TYR HA H 66 4.906 4.906 4.937 -0.031 19684 5844 1 17 . 1 1 66 66 TYR C C 66 175.641 175.641 175.132 0.509 19684 5845 1 17 . 1 1 66 66 TYR CA C 66 57.121 57.121 56.459 0.662 19684 5846 1 17 . 1 1 66 66 TYR CB C 66 37.682 37.682 38.541 -0.859 19684 5847 1 17 . 1 1 66 66 TYR H H 66 7.919 7.919 7.665 0.254 19684 5848 1 17 . 1 1 67 67 VAL N N 67 108.796 108.796 110.331 -1.535 19684 5849 1 17 . 1 1 67 67 VAL HA H 67 5.441 5.441 4.865 0.576 19684 5850 1 17 . 1 1 67 67 VAL C C 67 173.714 173.714 174.738 -1.024 19684 5851 1 17 . 1 1 67 67 VAL CA C 67 57.990 57.990 58.777 -0.787 19684 5852 1 17 . 1 1 67 67 VAL CB C 67 35.467 35.467 34.939 0.528 19684 5853 1 17 . 1 1 67 67 VAL H H 67 7.341 7.341 7.230 0.111 19684 5854 1 17 . 1 1 68 68 LYS N N 68 120.974 120.974 122.405 -1.431 19684 5855 1 17 . 1 1 68 68 LYS HA H 68 4.692 4.692 4.634 0.058 19684 5856 1 17 . 1 1 68 68 LYS C C 68 175.962 175.962 175.589 0.373 19684 5857 1 17 . 1 1 68 68 LYS CA C 68 54.108 54.108 54.442 -0.334 19684 5858 1 17 . 1 1 68 68 LYS CB C 68 35.051 35.051 35.445 -0.394 19684 5859 1 17 . 1 1 68 68 LYS H H 68 8.907 8.907 8.497 0.410 19684 5860 1 17 . 1 1 69 69 LEU N N 69 126.343 126.343 127.708 -1.365 19684 5861 1 17 . 1 1 69 69 LEU HA H 69 4.392 4.392 4.316 0.076 19684 5862 1 17 . 1 1 69 69 LEU C C 69 176.293 176.293 177.186 -0.893 19684 5863 1 17 . 1 1 69 69 LEU CA C 69 55.627 55.627 55.576 0.051 19684 5864 1 17 . 1 1 69 69 LEU CB C 69 41.278 41.278 41.249 0.029 19684 5865 1 17 . 1 1 69 69 LEU H H 69 8.791 8.791 8.636 0.155 19684 5866 1 18 . 1 1 2 2 GLY N N 2 113.935 113.935 108.654 5.281 19684 5867 1 18 . 1 1 2 2 GLY CA C 2 43.362 43.362 44.975 -1.613 19684 5868 1 18 . 1 1 2 2 GLY H H 2 8.251 8.251 8.384 -0.133 19684 5869 1 18 . 1 1 9 9 SER HA H 9 4.375 4.375 4.666 -0.291 19684 5870 1 18 . 1 1 9 9 SER CA C 9 58.422 58.422 58.091 0.331 19684 5871 1 18 . 1 1 9 9 SER CB C 9 63.552 63.552 64.149 -0.597 19684 5872 1 18 . 1 1 10 10 HIS HA H 10 4.622 4.622 4.211 0.411 19684 5873 1 18 . 1 1 10 10 HIS C C 10 174.853 174.853 174.596 0.257 19684 5874 1 18 . 1 1 10 10 HIS CA C 10 55.967 55.967 56.922 -0.955 19684 5875 1 18 . 1 1 10 10 HIS CB C 10 30.242 30.242 29.128 1.114 19684 5876 1 18 . 1 1 11 11 MET N N 11 121.242 121.242 119.758 1.484 19684 5877 1 18 . 1 1 11 11 MET HA H 11 4.432 4.432 4.199 0.233 19684 5878 1 18 . 1 1 11 11 MET C C 11 175.804 175.804 175.094 0.710 19684 5879 1 18 . 1 1 11 11 MET CA C 11 55.487 55.487 55.654 -0.167 19684 5880 1 18 . 1 1 11 11 MET CB C 11 32.712 32.712 32.124 0.588 19684 5881 1 18 . 1 1 11 11 MET H H 11 8.210 8.210 8.662 -0.452 19684 5882 1 18 . 1 1 12 12 ILE N N 12 122.708 122.708 119.127 3.581 19684 5883 1 18 . 1 1 12 12 ILE HA H 12 4.173 4.173 4.130 0.043 19684 5884 1 18 . 1 1 12 12 ILE C C 12 175.916 175.916 175.030 0.886 19684 5885 1 18 . 1 1 12 12 ILE CA C 12 60.878 60.878 63.025 -2.147 19684 5886 1 18 . 1 1 12 12 ILE CB C 12 38.534 38.534 36.621 1.913 19684 5887 1 18 . 1 1 12 12 ILE H H 12 8.236 8.236 8.274 -0.038 19684 5888 1 18 . 1 1 13 13 ARG N N 13 125.079 125.079 124.947 0.132 19684 5889 1 18 . 1 1 13 13 ARG HA H 13 4.472 4.472 4.375 0.097 19684 5890 1 18 . 1 1 13 13 ARG C C 13 175.573 175.573 174.949 0.624 19684 5891 1 18 . 1 1 13 13 ARG CA C 13 55.645 55.645 55.525 0.120 19684 5892 1 18 . 1 1 13 13 ARG CB C 13 31.256 31.256 30.830 0.426 19684 5893 1 18 . 1 1 13 13 ARG H H 13 8.386 8.386 7.831 0.555 19684 5894 1 18 . 1 1 14 14 SER N N 14 117.250 117.250 120.774 -3.524 19684 5895 1 18 . 1 1 14 14 SER HA H 14 4.441 4.441 4.119 0.322 19684 5896 1 18 . 1 1 14 14 SER C C 14 174.090 174.090 173.150 0.940 19684 5897 1 18 . 1 1 14 14 SER CA C 14 58.062 58.062 59.852 -1.790 19684 5898 1 18 . 1 1 14 14 SER CB C 14 63.638 63.638 62.553 1.085 19684 5899 1 18 . 1 1 14 14 SER H H 14 8.386 8.386 9.011 -0.625 19684 5900 1 18 . 1 1 15 15 ARG N N 15 123.266 123.266 122.553 0.713 19684 5901 1 18 . 1 1 15 15 ARG HA H 15 4.651 4.651 4.512 0.139 19684 5902 1 18 . 1 1 15 15 ARG C C 15 174.913 174.913 175.333 -0.420 19684 5903 1 18 . 1 1 15 15 ARG CA C 15 54.960 54.960 54.922 0.038 19684 5904 1 18 . 1 1 15 15 ARG CB C 15 31.574 31.574 33.349 -1.775 19684 5905 1 18 . 1 1 15 15 ARG H H 15 8.721 8.721 8.378 0.343 19684 5906 1 18 . 1 1 16 16 LYS N N 16 120.105 120.105 119.447 0.658 19684 5907 1 18 . 1 1 16 16 LYS HA H 16 5.315 5.315 5.651 -0.336 19684 5908 1 18 . 1 1 16 16 LYS C C 16 175.755 175.755 175.734 0.021 19684 5909 1 18 . 1 1 16 16 LYS CA C 16 54.926 54.926 54.660 0.265 19684 5910 1 18 . 1 1 16 16 LYS CB C 16 36.741 36.741 36.049 0.692 19684 5911 1 18 . 1 1 16 16 LYS H H 16 8.406 8.406 8.458 -0.052 19684 5912 1 18 . 1 1 17 17 ALA N N 17 118.564 118.564 122.151 -3.587 19684 5913 1 18 . 1 1 17 17 ALA HA H 17 5.256 5.256 5.253 0.003 19684 5914 1 18 . 1 1 17 17 ALA C C 17 173.884 173.884 175.301 -1.417 19684 5915 1 18 . 1 1 17 17 ALA CA C 17 50.673 50.673 50.843 -0.169 19684 5916 1 18 . 1 1 17 17 ALA CB C 17 23.580 23.580 23.494 0.086 19684 5917 1 18 . 1 1 17 17 ALA H H 17 8.310 8.310 8.425 -0.115 19684 5918 1 18 . 1 1 18 18 ARG N N 18 119.872 119.872 121.010 -1.138 19684 5919 1 18 . 1 1 18 18 ARG HA H 18 5.755 5.755 4.830 0.925 19684 5920 1 18 . 1 1 18 18 ARG C C 18 176.196 176.196 174.948 1.248 19684 5921 1 18 . 1 1 18 18 ARG CA C 18 53.023 53.023 54.725 -1.702 19684 5922 1 18 . 1 1 18 18 ARG CB C 18 34.603 34.603 33.905 0.698 19684 5923 1 18 . 1 1 18 18 ARG H H 18 9.008 9.008 8.562 0.446 19684 5924 1 18 . 1 1 19 19 ALA N N 19 127.577 127.577 131.094 -3.517 19684 5925 1 18 . 1 1 19 19 ALA HA H 19 4.828 4.828 4.601 0.227 19684 5926 1 18 . 1 1 19 19 ALA C C 19 178.887 178.887 177.598 1.289 19684 5927 1 18 . 1 1 19 19 ALA CA C 19 53.215 53.215 52.287 0.928 19684 5928 1 18 . 1 1 19 19 ALA CB C 19 21.164 21.164 19.209 1.955 19684 5929 1 18 . 1 1 19 19 ALA H H 19 9.456 9.456 8.654 0.802 19684 5930 1 18 . 1 1 20 20 VAL N N 20 120.989 120.989 122.563 -1.574 19684 5931 1 18 . 1 1 20 20 VAL HA H 20 4.233 4.233 4.200 0.033 19684 5932 1 18 . 1 1 20 20 VAL C C 20 173.478 173.478 175.599 -2.121 19684 5933 1 18 . 1 1 20 20 VAL CA C 20 61.659 61.659 63.647 -1.988 19684 5934 1 18 . 1 1 20 20 VAL CB C 20 32.406 32.406 31.981 0.425 19684 5935 1 18 . 1 1 20 20 VAL H H 20 9.261 9.261 8.355 0.906 19684 5936 1 18 . 1 1 21 21 TYR N N 21 120.793 120.793 120.656 0.137 19684 5937 1 18 . 1 1 21 21 TYR HA H 21 4.917 4.917 4.901 0.016 19684 5938 1 18 . 1 1 21 21 TYR C C 21 171.768 171.768 173.574 -1.806 19684 5939 1 18 . 1 1 21 21 TYR CA C 21 54.783 54.783 54.944 -0.161 19684 5940 1 18 . 1 1 21 21 TYR CB C 21 41.028 41.028 38.553 2.475 19684 5941 1 18 . 1 1 21 21 TYR H H 21 7.740 7.740 7.834 -0.094 19684 5942 1 18 . 1 1 22 22 PRO HA H 22 4.569 4.569 4.733 -0.164 19684 5943 1 18 . 1 1 22 22 PRO C C 22 175.447 175.447 175.239 0.208 19684 5944 1 18 . 1 1 22 22 PRO CA C 22 61.784 61.784 62.392 -0.607 19684 5945 1 18 . 1 1 22 22 PRO CB C 22 32.301 32.301 33.443 -1.141 19684 5946 1 18 . 1 1 23 23 CYS N N 23 117.584 117.584 118.500 -0.916 19684 5947 1 18 . 1 1 23 23 CYS HA H 23 4.369 4.369 4.763 -0.394 19684 5948 1 18 . 1 1 23 23 CYS C C 23 173.409 173.409 173.271 0.138 19684 5949 1 18 . 1 1 23 23 CYS CA C 23 58.325 58.325 56.379 1.946 19684 5950 1 18 . 1 1 23 23 CYS CB C 23 30.008 30.008 29.818 0.190 19684 5951 1 18 . 1 1 23 23 CYS H H 23 8.265 8.265 8.458 -0.193 19684 5952 1 18 . 1 1 24 24 GLU N N 24 131.184 131.184 123.477 7.707 19684 5953 1 18 . 1 1 24 24 GLU HA H 24 4.539 4.539 4.601 -0.062 19684 5954 1 18 . 1 1 24 24 GLU C C 24 174.814 174.814 174.673 0.141 19684 5955 1 18 . 1 1 24 24 GLU CA C 24 54.416 54.416 55.201 -0.785 19684 5956 1 18 . 1 1 24 24 GLU CB C 24 30.172 30.172 32.896 -2.724 19684 5957 1 18 . 1 1 24 24 GLU H H 24 8.594 8.594 8.538 0.056 19684 5958 1 18 . 1 1 25 25 ALA N N 25 128.937 128.937 123.005 5.932 19684 5959 1 18 . 1 1 25 25 ALA HA H 25 4.180 4.180 4.752 -0.572 19684 5960 1 18 . 1 1 25 25 ALA C C 25 178.154 178.154 177.528 0.626 19684 5961 1 18 . 1 1 25 25 ALA CA C 25 52.809 52.809 51.568 1.241 19684 5962 1 18 . 1 1 25 25 ALA CB C 25 20.779 20.779 19.707 1.072 19684 5963 1 18 . 1 1 25 25 ALA H H 25 8.555 8.555 8.396 0.159 19684 5964 1 18 . 1 1 26 26 GLU N N 26 119.582 119.582 123.128 -3.546 19684 5965 1 18 . 1 1 26 26 GLU HA H 26 4.268 4.268 4.386 -0.118 19684 5966 1 18 . 1 1 26 26 GLU C C 26 175.916 175.916 176.742 -0.826 19684 5967 1 18 . 1 1 26 26 GLU CA C 26 56.345 56.345 57.154 -0.809 19684 5968 1 18 . 1 1 26 26 GLU CB C 26 31.091 31.091 31.077 0.014 19684 5969 1 18 . 1 1 26 26 GLU H H 26 8.613 8.613 8.875 -0.262 19684 5970 1 18 . 1 1 27 27 HIS N N 27 115.533 115.533 116.954 -1.421 19684 5971 1 18 . 1 1 27 27 HIS C C 27 175.986 175.986 173.872 2.114 19684 5972 1 18 . 1 1 27 27 HIS CA C 27 54.711 54.711 56.282 -1.571 19684 5973 1 18 . 1 1 27 27 HIS CB C 27 32.077 32.077 31.777 0.300 19684 5974 1 18 . 1 1 27 27 HIS H H 27 7.418 7.418 7.892 -0.474 19684 5975 1 18 . 1 1 28 28 SER HA H 28 4.255 4.255 3.997 0.258 19684 5976 1 18 . 1 1 28 28 SER C C 28 174.619 174.619 173.868 0.751 19684 5977 1 18 . 1 1 28 28 SER CA C 28 60.985 60.985 59.401 1.584 19684 5978 1 18 . 1 1 28 28 SER CB C 28 62.890 62.890 62.599 0.291 19684 5979 1 18 . 1 1 29 29 SER N N 29 114.287 114.287 111.377 2.910 19684 5980 1 18 . 1 1 29 29 SER HA H 29 4.405 4.405 3.998 0.407 19684 5981 1 18 . 1 1 29 29 SER C C 29 174.305 174.305 174.002 0.303 19684 5982 1 18 . 1 1 29 29 SER CA C 29 58.564 58.564 59.574 -1.010 19684 5983 1 18 . 1 1 29 29 SER CB C 29 62.953 62.953 62.272 0.681 19684 5984 1 18 . 1 1 29 29 SER H H 29 8.207 8.207 8.087 0.120 19684 5985 1 18 . 1 1 30 30 GLU N N 30 122.312 122.312 120.237 2.075 19684 5986 1 18 . 1 1 30 30 GLU HA H 30 4.690 4.690 4.331 0.359 19684 5987 1 18 . 1 1 30 30 GLU C C 30 175.373 175.373 176.821 -1.448 19684 5988 1 18 . 1 1 30 30 GLU CA C 30 54.894 54.894 57.335 -2.441 19684 5989 1 18 . 1 1 30 30 GLU CB C 30 31.495 31.495 30.431 1.064 19684 5990 1 18 . 1 1 30 30 GLU H H 30 7.798 7.798 7.650 0.148 19684 5991 1 18 . 1 1 31 31 LEU N N 31 118.829 118.829 123.847 -5.018 19684 5992 1 18 . 1 1 31 31 LEU HA H 31 4.686 4.686 4.731 -0.045 19684 5993 1 18 . 1 1 31 31 LEU C C 31 177.013 177.013 176.250 0.763 19684 5994 1 18 . 1 1 31 31 LEU CA C 31 54.627 54.627 53.813 0.814 19684 5995 1 18 . 1 1 31 31 LEU CB C 31 43.640 43.640 43.648 -0.008 19684 5996 1 18 . 1 1 31 31 LEU H H 31 8.084 8.084 8.685 -0.601 19684 5997 1 18 . 1 1 32 32 SER N N 32 115.422 115.422 118.388 -2.966 19684 5998 1 18 . 1 1 32 32 SER HA H 32 4.863 4.863 4.663 0.200 19684 5999 1 18 . 1 1 32 32 SER C C 32 173.966 173.966 174.176 -0.210 19684 6000 1 18 . 1 1 32 32 SER CA C 32 57.745 57.745 57.877 -0.133 19684 6001 1 18 . 1 1 32 32 SER CB C 32 64.735 64.735 63.783 0.952 19684 6002 1 18 . 1 1 32 32 SER H H 32 8.054 8.054 8.776 -0.722 19684 6003 1 18 . 1 1 33 33 PHE N N 33 116.920 116.920 120.700 -3.780 19684 6004 1 18 . 1 1 33 33 PHE HA H 33 4.889 4.889 5.050 -0.161 19684 6005 1 18 . 1 1 33 33 PHE C C 33 173.660 173.660 173.386 0.274 19684 6006 1 18 . 1 1 33 33 PHE CA C 33 56.261 56.261 56.722 -0.461 19684 6007 1 18 . 1 1 33 33 PHE CB C 33 39.272 39.272 40.806 -1.534 19684 6008 1 18 . 1 1 33 33 PHE H H 33 8.697 8.697 8.541 0.156 19684 6009 1 18 . 1 1 34 34 GLU N N 34 119.852 119.852 119.936 -0.084 19684 6010 1 18 . 1 1 34 34 GLU HA H 34 4.622 4.622 4.851 -0.229 19684 6011 1 18 . 1 1 34 34 GLU C C 34 176.044 176.044 176.244 -0.200 19684 6012 1 18 . 1 1 34 34 GLU CA C 34 53.759 53.759 54.037 -0.278 19684 6013 1 18 . 1 1 34 34 GLU CB C 34 31.878 31.878 32.606 -0.728 19684 6014 1 18 . 1 1 34 34 GLU H H 34 8.616 8.616 8.739 -0.123 19684 6015 1 18 . 1 1 35 35 ILE N N 35 118.386 118.386 120.928 -2.542 19684 6016 1 18 . 1 1 35 35 ILE HA H 35 3.173 3.173 3.809 -0.636 19684 6017 1 18 . 1 1 35 35 ILE C C 35 177.205 177.205 177.509 -0.304 19684 6018 1 18 . 1 1 35 35 ILE CA C 35 64.926 64.926 63.371 1.555 19684 6019 1 18 . 1 1 35 35 ILE CB C 35 38.013 38.013 36.944 1.069 19684 6020 1 18 . 1 1 35 35 ILE H H 35 8.428 8.428 8.651 -0.223 19684 6021 1 18 . 1 1 36 36 GLY N N 36 114.528 114.528 116.413 -1.885 19684 6022 1 18 . 1 1 36 36 GLY C C 36 173.669 173.669 174.104 -0.435 19684 6023 1 18 . 1 1 36 36 GLY CA C 36 44.601 44.601 44.640 -0.039 19684 6024 1 18 . 1 1 36 36 GLY H H 36 8.568 8.568 8.876 -0.308 19684 6025 1 18 . 1 1 37 37 ALA N N 37 123.910 123.910 125.741 -1.831 19684 6026 1 18 . 1 1 37 37 ALA HA H 37 3.975 3.975 4.072 -0.097 19684 6027 1 18 . 1 1 37 37 ALA C C 37 175.106 175.106 176.830 -1.724 19684 6028 1 18 . 1 1 37 37 ALA CA C 37 53.061 53.061 52.620 0.441 19684 6029 1 18 . 1 1 37 37 ALA CB C 37 19.337 19.337 18.776 0.561 19684 6030 1 18 . 1 1 37 37 ALA H H 37 7.564 7.564 7.631 -0.067 19684 6031 1 18 . 1 1 38 38 ILE N N 38 120.298 120.298 124.051 -3.753 19684 6032 1 18 . 1 1 38 38 ILE HA H 38 4.867 4.867 4.587 0.280 19684 6033 1 18 . 1 1 38 38 ILE C C 38 174.910 174.910 175.210 -0.300 19684 6034 1 18 . 1 1 38 38 ILE CA C 38 58.050 58.050 59.272 -1.222 19684 6035 1 18 . 1 1 38 38 ILE CB C 38 38.080 38.080 37.729 0.351 19684 6036 1 18 . 1 1 38 38 ILE H H 38 7.843 7.843 7.785 0.058 19684 6037 1 18 . 1 1 39 39 PHE N N 39 124.481 124.481 125.666 -1.185 19684 6038 1 18 . 1 1 39 39 PHE HA H 39 4.889 4.889 5.140 -0.251 19684 6039 1 18 . 1 1 39 39 PHE C C 39 175.106 175.106 175.269 -0.163 19684 6040 1 18 . 1 1 39 39 PHE CA C 39 55.542 55.542 56.093 -0.551 19684 6041 1 18 . 1 1 39 39 PHE CB C 39 42.173 42.173 41.840 0.333 19684 6042 1 18 . 1 1 39 39 PHE H H 39 8.884 8.884 8.321 0.563 19684 6043 1 18 . 1 1 40 40 GLU N N 40 117.747 117.747 121.148 -3.401 19684 6044 1 18 . 1 1 40 40 GLU HA H 40 4.788 4.788 4.862 -0.074 19684 6045 1 18 . 1 1 40 40 GLU C C 40 175.797 175.797 176.958 -1.161 19684 6046 1 18 . 1 1 40 40 GLU CA C 40 53.945 53.945 54.670 -0.725 19684 6047 1 18 . 1 1 40 40 GLU CB C 40 32.928 32.928 31.963 0.965 19684 6048 1 18 . 1 1 40 40 GLU H H 40 9.047 9.047 8.424 0.623 19684 6049 1 18 . 1 1 41 41 ASP N N 41 120.461 120.461 121.376 -0.915 19684 6050 1 18 . 1 1 41 41 ASP HA H 41 4.331 4.331 4.338 -0.007 19684 6051 1 18 . 1 1 41 41 ASP C C 41 175.720 175.720 175.647 0.073 19684 6052 1 18 . 1 1 41 41 ASP CA C 41 54.842 54.842 55.085 -0.243 19684 6053 1 18 . 1 1 41 41 ASP CB C 41 39.241 39.241 40.344 -1.103 19684 6054 1 18 . 1 1 41 41 ASP H H 41 8.875 8.875 8.435 0.440 19684 6055 1 18 . 1 1 42 42 VAL N N 42 120.471 120.471 119.323 1.148 19684 6056 1 18 . 1 1 42 42 VAL HA H 42 4.788 4.788 4.133 0.655 19684 6057 1 18 . 1 1 42 42 VAL C C 42 176.652 176.652 175.868 0.784 19684 6058 1 18 . 1 1 42 42 VAL CA C 42 62.583 62.583 64.210 -1.627 19684 6059 1 18 . 1 1 42 42 VAL CB C 42 31.408 31.408 31.788 -0.380 19684 6060 1 18 . 1 1 42 42 VAL H H 42 8.932 8.932 7.645 1.287 19684 6061 1 18 . 1 1 43 43 GLN N N 43 124.450 124.450 126.800 -2.350 19684 6062 1 18 . 1 1 43 43 GLN HA H 43 4.859 4.859 4.816 0.043 19684 6063 1 18 . 1 1 43 43 GLN C C 43 174.928 174.928 174.810 0.118 19684 6064 1 18 . 1 1 43 43 GLN CA C 43 53.436 53.436 54.009 -0.573 19684 6065 1 18 . 1 1 43 43 GLN CB C 43 33.482 33.482 32.587 0.895 19684 6066 1 18 . 1 1 43 43 GLN H H 43 9.057 9.057 9.144 -0.087 19684 6067 1 18 . 1 1 44 44 THR N N 44 116.345 116.345 117.603 -1.258 19684 6068 1 18 . 1 1 44 44 THR HA H 44 4.149 4.149 4.375 -0.226 19684 6069 1 18 . 1 1 44 44 THR C C 44 174.138 174.138 174.515 -0.377 19684 6070 1 18 . 1 1 44 44 THR CA C 44 64.288 64.288 62.747 1.541 19684 6071 1 18 . 1 1 44 44 THR CB C 44 69.164 69.164 69.122 0.042 19684 6072 1 18 . 1 1 44 44 THR H H 44 8.640 8.640 8.481 0.159 19684 6073 1 18 . 1 1 45 45 SER N N 45 119.635 119.635 121.568 -1.933 19684 6074 1 18 . 1 1 45 45 SER HA H 45 4.670 4.670 4.428 0.242 19684 6075 1 18 . 1 1 45 45 SER C C 45 174.304 174.304 176.020 -1.716 19684 6076 1 18 . 1 1 45 45 SER CA C 45 57.064 57.064 57.954 -0.890 19684 6077 1 18 . 1 1 45 45 SER CB C 45 65.275 65.275 64.849 0.426 19684 6078 1 18 . 1 1 45 45 SER H H 45 7.971 7.971 8.197 -0.226 19684 6079 1 18 . 1 1 46 46 ARG N N 46 120.482 120.482 123.850 -3.368 19684 6080 1 18 . 1 1 46 46 ARG HA H 46 4.170 4.170 4.187 -0.017 19684 6081 1 18 . 1 1 46 46 ARG C C 46 176.486 176.486 176.551 -0.065 19684 6082 1 18 . 1 1 46 46 ARG CA C 46 57.675 57.675 57.510 0.165 19684 6083 1 18 . 1 1 46 46 ARG CB C 46 30.019 30.019 29.793 0.226 19684 6084 1 18 . 1 1 46 46 ARG H H 46 8.491 8.491 8.834 -0.343 19684 6085 1 18 . 1 1 47 47 GLU N N 47 121.489 121.489 122.434 -0.945 19684 6086 1 18 . 1 1 47 47 GLU HA H 47 4.820 4.820 4.702 0.118 19684 6087 1 18 . 1 1 47 47 GLU C C 47 173.926 173.926 174.624 -0.698 19684 6088 1 18 . 1 1 47 47 GLU CA C 47 52.716 52.716 53.783 -1.067 19684 6089 1 18 . 1 1 47 47 GLU CB C 47 30.039 30.039 29.401 0.638 19684 6090 1 18 . 1 1 47 47 GLU H H 47 8.530 8.530 7.782 0.748 19684 6091 1 18 . 1 1 48 48 PRO HA H 48 4.363 4.363 4.320 0.043 19684 6092 1 18 . 1 1 48 48 PRO C C 48 177.954 177.954 176.996 0.958 19684 6093 1 18 . 1 1 48 48 PRO CA C 48 63.672 63.672 64.006 -0.334 19684 6094 1 18 . 1 1 48 48 PRO CB C 48 31.798 31.798 31.460 0.338 19684 6095 1 18 . 1 1 49 49 GLY N N 49 110.220 110.220 110.643 -0.423 19684 6096 1 18 . 1 1 49 49 GLY C C 49 174.196 174.196 173.631 0.565 19684 6097 1 18 . 1 1 49 49 GLY CA C 49 44.965 44.965 44.614 0.351 19684 6098 1 18 . 1 1 49 49 GLY H H 49 8.660 8.660 8.586 0.074 19684 6099 1 18 . 1 1 50 50 TRP N N 50 120.527 120.527 121.779 -1.252 19684 6100 1 18 . 1 1 50 50 TRP HA H 50 5.098 5.098 5.439 -0.341 19684 6101 1 18 . 1 1 50 50 TRP C C 50 175.686 175.686 175.507 0.179 19684 6102 1 18 . 1 1 50 50 TRP CA C 50 56.460 56.460 56.392 0.068 19684 6103 1 18 . 1 1 50 50 TRP CB C 50 31.745 31.745 31.341 0.404 19684 6104 1 18 . 1 1 50 50 TRP H H 50 8.025 8.025 7.762 0.263 19684 6105 1 18 . 1 1 51 51 LEU N N 51 123.575 123.575 120.575 3.000 19684 6106 1 18 . 1 1 51 51 LEU HA H 51 4.966 4.966 5.106 -0.140 19684 6107 1 18 . 1 1 51 51 LEU C C 51 175.162 175.162 175.737 -0.575 19684 6108 1 18 . 1 1 51 51 LEU CA C 51 52.643 52.643 53.302 -0.659 19684 6109 1 18 . 1 1 51 51 LEU CB C 51 44.214 44.214 46.107 -1.893 19684 6110 1 18 . 1 1 51 51 LEU H H 51 9.635 9.635 9.063 0.572 19684 6111 1 18 . 1 1 52 52 GLU N N 52 119.825 119.825 119.772 0.053 19684 6112 1 18 . 1 1 52 52 GLU HA H 52 5.180 5.180 5.545 -0.365 19684 6113 1 18 . 1 1 52 52 GLU C C 52 175.082 175.082 175.925 -0.843 19684 6114 1 18 . 1 1 52 52 GLU CA C 52 54.693 54.693 54.821 -0.128 19684 6115 1 18 . 1 1 52 52 GLU CB C 52 32.735 32.735 33.062 -0.327 19684 6116 1 18 . 1 1 52 52 GLU H H 52 9.144 9.144 8.868 0.276 19684 6117 1 18 . 1 1 53 53 GLY N N 53 106.528 106.528 111.564 -5.036 19684 6118 1 18 . 1 1 53 53 GLY C C 53 170.278 170.278 173.123 -2.845 19684 6119 1 18 . 1 1 53 53 GLY CA C 53 45.500 45.500 44.538 0.961 19684 6120 1 18 . 1 1 53 53 GLY H H 53 8.500 8.500 8.108 0.392 19684 6121 1 18 . 1 1 54 54 THR N N 54 115.540 115.540 118.682 -3.142 19684 6122 1 18 . 1 1 54 54 THR HA H 54 5.334 5.334 4.650 0.684 19684 6123 1 18 . 1 1 54 54 THR C C 54 173.549 173.549 173.238 0.311 19684 6124 1 18 . 1 1 54 54 THR CA C 54 61.186 61.186 62.994 -1.808 19684 6125 1 18 . 1 1 54 54 THR CB C 54 69.935 69.935 69.553 0.382 19684 6126 1 18 . 1 1 54 54 THR H H 54 9.085 9.085 8.671 0.414 19684 6127 1 18 . 1 1 55 55 LEU N N 55 128.613 128.613 130.039 -1.426 19684 6128 1 18 . 1 1 55 55 LEU HA H 55 4.842 4.842 4.746 0.096 19684 6129 1 18 . 1 1 55 55 LEU C C 55 176.045 176.045 175.356 0.689 19684 6130 1 18 . 1 1 55 55 LEU CA C 55 53.387 53.387 54.095 -0.708 19684 6131 1 18 . 1 1 55 55 LEU CB C 55 45.579 45.579 45.005 0.574 19684 6132 1 18 . 1 1 55 55 LEU H H 55 9.368 9.368 8.696 0.672 19684 6133 1 18 . 1 1 56 56 ASN N N 56 128.674 128.674 123.892 4.782 19684 6134 1 18 . 1 1 56 56 ASN HA H 56 4.403 4.403 4.444 -0.041 19684 6135 1 18 . 1 1 56 56 ASN C C 56 175.457 175.457 175.432 0.025 19684 6136 1 18 . 1 1 56 56 ASN CA C 56 54.126 54.126 54.068 0.058 19684 6137 1 18 . 1 1 56 56 ASN CB C 56 37.291 37.291 37.691 -0.400 19684 6138 1 18 . 1 1 56 56 ASN H H 56 9.670 9.670 9.288 0.382 19684 6139 1 18 . 1 1 57 57 GLY N N 57 102.683 102.683 103.083 -0.400 19684 6140 1 18 . 1 1 57 57 GLY C C 57 173.175 173.175 173.559 -0.384 19684 6141 1 18 . 1 1 57 57 GLY CA C 57 45.263 45.263 45.197 0.066 19684 6142 1 18 . 1 1 57 57 GLY H H 57 8.441 8.441 8.431 0.010 19684 6143 1 18 . 1 1 58 58 LYS N N 58 122.749 122.749 121.045 1.704 19684 6144 1 18 . 1 1 58 58 LYS HA H 58 4.621 4.621 4.575 0.046 19684 6145 1 18 . 1 1 58 58 LYS C C 58 173.237 173.237 175.002 -1.765 19684 6146 1 18 . 1 1 58 58 LYS CA C 58 54.962 54.962 55.092 -0.130 19684 6147 1 18 . 1 1 58 58 LYS CB C 58 34.303 34.303 34.843 -0.540 19684 6148 1 18 . 1 1 58 58 LYS H H 58 7.847 7.847 7.602 0.245 19684 6149 1 18 . 1 1 59 59 ARG N N 59 127.435 127.435 128.272 -0.837 19684 6150 1 18 . 1 1 59 59 ARG HA H 59 5.417 5.417 5.499 -0.082 19684 6151 1 18 . 1 1 59 59 ARG C C 59 176.486 176.486 175.603 0.883 19684 6152 1 18 . 1 1 59 59 ARG CA C 59 54.079 54.079 55.260 -1.181 19684 6153 1 18 . 1 1 59 59 ARG CB C 59 31.815 31.815 32.204 -0.389 19684 6154 1 18 . 1 1 59 59 ARG H H 59 8.741 8.741 8.697 0.044 19684 6155 1 18 . 1 1 60 60 GLY N N 60 112.447 112.447 110.503 1.944 19684 6156 1 18 . 1 1 60 60 GLY C C 60 170.709 170.709 172.565 -1.856 19684 6157 1 18 . 1 1 60 60 GLY CA C 60 45.648 45.648 44.865 0.783 19684 6158 1 18 . 1 1 60 60 GLY H H 60 8.745 8.745 7.966 0.779 19684 6159 1 18 . 1 1 61 61 LEU N N 61 117.631 117.631 121.809 -4.178 19684 6160 1 18 . 1 1 61 61 LEU HA H 61 5.330 5.330 5.013 0.317 19684 6161 1 18 . 1 1 61 61 LEU C C 61 178.461 178.461 176.644 1.817 19684 6162 1 18 . 1 1 61 61 LEU CA C 61 54.784 54.784 55.372 -0.588 19684 6163 1 18 . 1 1 61 61 LEU CB C 61 44.075 44.075 42.467 1.608 19684 6164 1 18 . 1 1 61 61 LEU H H 61 8.527 8.527 8.040 0.487 19684 6165 1 18 . 1 1 62 62 ILE N N 62 121.463 121.463 124.146 -2.683 19684 6166 1 18 . 1 1 62 62 ILE HA H 62 4.899 4.899 4.814 0.085 19684 6167 1 18 . 1 1 62 62 ILE C C 62 172.776 172.776 173.709 -0.933 19684 6168 1 18 . 1 1 62 62 ILE CA C 62 58.089 58.089 58.085 0.004 19684 6169 1 18 . 1 1 62 62 ILE CB C 62 43.821 43.821 40.373 3.448 19684 6170 1 18 . 1 1 62 62 ILE H H 62 9.387 9.387 9.161 0.226 19684 6171 1 18 . 1 1 63 63 PRO HA H 63 3.610 3.610 3.876 -0.266 19684 6172 1 18 . 1 1 63 63 PRO C C 63 179.007 179.007 176.726 2.281 19684 6173 1 18 . 1 1 63 63 PRO CA C 63 62.475 62.475 62.458 0.017 19684 6174 1 18 . 1 1 63 63 PRO CB C 63 30.637 30.637 31.149 -0.512 19684 6175 1 18 . 1 1 64 64 GLN N N 64 124.254 124.254 125.947 -1.693 19684 6176 1 18 . 1 1 64 64 GLN HA H 64 3.624 3.624 3.879 -0.255 19684 6177 1 18 . 1 1 64 64 GLN C C 64 176.210 176.210 177.701 -1.491 19684 6178 1 18 . 1 1 64 64 GLN CA C 64 58.984 58.984 59.233 -0.248 19684 6179 1 18 . 1 1 64 64 GLN CB C 64 28.212 28.212 28.713 -0.501 19684 6180 1 18 . 1 1 64 64 GLN H H 64 8.045 8.045 8.192 -0.147 19684 6181 1 18 . 1 1 65 65 ASN N N 65 111.289 111.289 116.603 -5.314 19684 6182 1 18 . 1 1 65 65 ASN HA H 65 4.722 4.722 4.623 0.099 19684 6183 1 18 . 1 1 65 65 ASN C C 65 175.720 175.720 176.543 -0.823 19684 6184 1 18 . 1 1 65 65 ASN CA C 65 53.734 53.734 55.796 -2.062 19684 6185 1 18 . 1 1 65 65 ASN CB C 65 36.735 36.735 38.430 -1.695 19684 6186 1 18 . 1 1 65 65 ASN H H 65 8.543 8.543 8.629 -0.086 19684 6187 1 18 . 1 1 66 66 TYR N N 66 118.333 118.333 116.318 2.015 19684 6188 1 18 . 1 1 66 66 TYR HA H 66 4.906 4.906 4.826 0.080 19684 6189 1 18 . 1 1 66 66 TYR C C 66 175.641 175.641 175.421 0.220 19684 6190 1 18 . 1 1 66 66 TYR CA C 66 57.121 57.121 57.279 -0.158 19684 6191 1 18 . 1 1 66 66 TYR CB C 66 37.682 37.682 38.633 -0.951 19684 6192 1 18 . 1 1 66 66 TYR H H 66 7.919 7.919 7.740 0.179 19684 6193 1 18 . 1 1 67 67 VAL N N 67 108.796 108.796 111.718 -2.922 19684 6194 1 18 . 1 1 67 67 VAL HA H 67 5.441 5.441 4.882 0.559 19684 6195 1 18 . 1 1 67 67 VAL C C 67 173.714 173.714 174.872 -1.158 19684 6196 1 18 . 1 1 67 67 VAL CA C 67 57.990 57.990 58.699 -0.709 19684 6197 1 18 . 1 1 67 67 VAL CB C 67 35.467 35.467 35.523 -0.056 19684 6198 1 18 . 1 1 67 67 VAL H H 67 7.341 7.341 7.304 0.037 19684 6199 1 18 . 1 1 68 68 LYS N N 68 120.974 120.974 122.694 -1.720 19684 6200 1 18 . 1 1 68 68 LYS HA H 68 4.692 4.692 4.593 0.099 19684 6201 1 18 . 1 1 68 68 LYS C C 68 175.962 175.962 175.582 0.380 19684 6202 1 18 . 1 1 68 68 LYS CA C 68 54.108 54.108 54.452 -0.344 19684 6203 1 18 . 1 1 68 68 LYS CB C 68 35.051 35.051 34.423 0.628 19684 6204 1 18 . 1 1 68 68 LYS H H 68 8.907 8.907 8.319 0.588 19684 6205 1 18 . 1 1 69 69 LEU N N 69 126.343 126.343 127.816 -1.473 19684 6206 1 18 . 1 1 69 69 LEU HA H 69 4.392 4.392 4.446 -0.054 19684 6207 1 18 . 1 1 69 69 LEU C C 69 176.293 176.293 176.937 -0.644 19684 6208 1 18 . 1 1 69 69 LEU CA C 69 55.627 55.627 55.100 0.527 19684 6209 1 18 . 1 1 69 69 LEU CB C 69 41.278 41.278 41.327 -0.049 19684 6210 1 18 . 1 1 69 69 LEU H H 69 8.791 8.791 8.730 0.061 19684 6211 1 19 . 1 1 2 2 GLY N N 2 113.935 113.935 113.370 0.565 19684 6212 1 19 . 1 1 2 2 GLY CA C 2 43.362 43.362 44.778 -1.416 19684 6213 1 19 . 1 1 2 2 GLY H H 2 8.251 8.251 8.638 -0.387 19684 6214 1 19 . 1 1 9 9 SER HA H 9 4.375 4.375 4.276 0.099 19684 6215 1 19 . 1 1 9 9 SER CA C 9 58.422 58.422 58.075 0.347 19684 6216 1 19 . 1 1 9 9 SER CB C 9 63.552 63.552 64.365 -0.813 19684 6217 1 19 . 1 1 10 10 HIS HA H 10 4.622 4.622 4.358 0.264 19684 6218 1 19 . 1 1 10 10 HIS C C 10 174.853 174.853 174.014 0.839 19684 6219 1 19 . 1 1 10 10 HIS CA C 10 55.967 55.967 56.318 -0.351 19684 6220 1 19 . 1 1 10 10 HIS CB C 10 30.242 30.242 27.347 2.895 19684 6221 1 19 . 1 1 11 11 MET N N 11 121.242 121.242 122.705 -1.463 19684 6222 1 19 . 1 1 11 11 MET HA H 11 4.432 4.432 4.673 -0.241 19684 6223 1 19 . 1 1 11 11 MET C C 11 175.804 175.804 176.001 -0.197 19684 6224 1 19 . 1 1 11 11 MET CA C 11 55.487 55.487 53.834 1.653 19684 6225 1 19 . 1 1 11 11 MET CB C 11 32.712 32.712 33.512 -0.800 19684 6226 1 19 . 1 1 11 11 MET H H 11 8.210 8.210 7.734 0.476 19684 6227 1 19 . 1 1 12 12 ILE N N 12 122.708 122.708 121.022 1.686 19684 6228 1 19 . 1 1 12 12 ILE HA H 12 4.173 4.173 3.760 0.413 19684 6229 1 19 . 1 1 12 12 ILE C C 12 175.916 175.916 174.863 1.053 19684 6230 1 19 . 1 1 12 12 ILE CA C 12 60.878 60.878 62.447 -1.569 19684 6231 1 19 . 1 1 12 12 ILE CB C 12 38.534 38.534 36.135 2.399 19684 6232 1 19 . 1 1 12 12 ILE H H 12 8.236 8.236 8.703 -0.467 19684 6233 1 19 . 1 1 13 13 ARG N N 13 125.079 125.079 122.116 2.963 19684 6234 1 19 . 1 1 13 13 ARG HA H 13 4.472 4.472 4.567 -0.095 19684 6235 1 19 . 1 1 13 13 ARG C C 13 175.573 175.573 174.837 0.736 19684 6236 1 19 . 1 1 13 13 ARG CA C 13 55.645 55.645 55.025 0.620 19684 6237 1 19 . 1 1 13 13 ARG CB C 13 31.256 31.256 31.813 -0.557 19684 6238 1 19 . 1 1 13 13 ARG H H 13 8.386 8.386 7.923 0.463 19684 6239 1 19 . 1 1 14 14 SER N N 14 117.250 117.250 115.902 1.348 19684 6240 1 19 . 1 1 14 14 SER HA H 14 4.441 4.441 4.317 0.124 19684 6241 1 19 . 1 1 14 14 SER C C 14 174.090 174.090 173.525 0.565 19684 6242 1 19 . 1 1 14 14 SER CA C 14 58.062 58.062 58.694 -0.632 19684 6243 1 19 . 1 1 14 14 SER CB C 14 63.638 63.638 63.404 0.234 19684 6244 1 19 . 1 1 14 14 SER H H 14 8.386 8.386 8.448 -0.062 19684 6245 1 19 . 1 1 15 15 ARG N N 15 123.266 123.266 123.694 -0.428 19684 6246 1 19 . 1 1 15 15 ARG HA H 15 4.651 4.651 4.600 0.051 19684 6247 1 19 . 1 1 15 15 ARG C C 15 174.913 174.913 175.136 -0.223 19684 6248 1 19 . 1 1 15 15 ARG CA C 15 54.960 54.960 54.493 0.467 19684 6249 1 19 . 1 1 15 15 ARG CB C 15 31.574 31.574 34.248 -2.674 19684 6250 1 19 . 1 1 15 15 ARG H H 15 8.721 8.721 8.247 0.474 19684 6251 1 19 . 1 1 16 16 LYS N N 16 120.105 120.105 118.821 1.284 19684 6252 1 19 . 1 1 16 16 LYS HA H 16 5.315 5.315 4.985 0.330 19684 6253 1 19 . 1 1 16 16 LYS C C 16 175.755 175.755 175.674 0.081 19684 6254 1 19 . 1 1 16 16 LYS CA C 16 54.926 54.926 55.088 -0.162 19684 6255 1 19 . 1 1 16 16 LYS CB C 16 36.741 36.741 35.104 1.637 19684 6256 1 19 . 1 1 16 16 LYS H H 16 8.406 8.406 8.176 0.230 19684 6257 1 19 . 1 1 17 17 ALA N N 17 118.564 118.564 120.110 -1.546 19684 6258 1 19 . 1 1 17 17 ALA HA H 17 5.256 5.256 5.203 0.053 19684 6259 1 19 . 1 1 17 17 ALA C C 17 173.884 173.884 175.316 -1.432 19684 6260 1 19 . 1 1 17 17 ALA CA C 17 50.673 50.673 51.039 -0.366 19684 6261 1 19 . 1 1 17 17 ALA CB C 17 23.580 23.580 23.381 0.199 19684 6262 1 19 . 1 1 17 17 ALA H H 17 8.310 8.310 8.448 -0.138 19684 6263 1 19 . 1 1 18 18 ARG N N 18 119.872 119.872 120.892 -1.020 19684 6264 1 19 . 1 1 18 18 ARG HA H 18 5.755 5.755 5.112 0.643 19684 6265 1 19 . 1 1 18 18 ARG C C 18 176.196 176.196 175.072 1.124 19684 6266 1 19 . 1 1 18 18 ARG CA C 18 53.023 53.023 54.533 -1.510 19684 6267 1 19 . 1 1 18 18 ARG CB C 18 34.603 34.603 34.158 0.445 19684 6268 1 19 . 1 1 18 18 ARG H H 18 9.008 9.008 8.493 0.515 19684 6269 1 19 . 1 1 19 19 ALA N N 19 127.577 127.577 130.913 -3.336 19684 6270 1 19 . 1 1 19 19 ALA HA H 19 4.828 4.828 4.594 0.234 19684 6271 1 19 . 1 1 19 19 ALA C C 19 178.887 178.887 177.432 1.455 19684 6272 1 19 . 1 1 19 19 ALA CA C 19 53.215 53.215 52.515 0.700 19684 6273 1 19 . 1 1 19 19 ALA CB C 19 21.164 21.164 19.198 1.966 19684 6274 1 19 . 1 1 19 19 ALA H H 19 9.456 9.456 8.799 0.657 19684 6275 1 19 . 1 1 20 20 VAL N N 20 120.989 120.989 121.715 -0.726 19684 6276 1 19 . 1 1 20 20 VAL HA H 20 4.233 4.233 4.236 -0.003 19684 6277 1 19 . 1 1 20 20 VAL C C 20 173.478 173.478 175.281 -1.803 19684 6278 1 19 . 1 1 20 20 VAL CA C 20 61.659 61.659 62.932 -1.273 19684 6279 1 19 . 1 1 20 20 VAL CB C 20 32.406 32.406 32.127 0.279 19684 6280 1 19 . 1 1 20 20 VAL H H 20 9.261 9.261 8.479 0.782 19684 6281 1 19 . 1 1 21 21 TYR N N 21 120.793 120.793 120.719 0.074 19684 6282 1 19 . 1 1 21 21 TYR HA H 21 4.917 4.917 4.877 0.040 19684 6283 1 19 . 1 1 21 21 TYR C C 21 171.768 171.768 173.831 -2.063 19684 6284 1 19 . 1 1 21 21 TYR CA C 21 54.783 54.783 55.375 -0.592 19684 6285 1 19 . 1 1 21 21 TYR CB C 21 41.028 41.028 39.135 1.893 19684 6286 1 19 . 1 1 21 21 TYR H H 21 7.740 7.740 8.089 -0.349 19684 6287 1 19 . 1 1 22 22 PRO HA H 22 4.569 4.569 4.491 0.078 19684 6288 1 19 . 1 1 22 22 PRO C C 22 175.447 175.447 175.390 0.057 19684 6289 1 19 . 1 1 22 22 PRO CA C 22 61.784 61.784 62.473 -0.689 19684 6290 1 19 . 1 1 22 22 PRO CB C 22 32.301 32.301 33.349 -1.048 19684 6291 1 19 . 1 1 23 23 CYS N N 23 117.584 117.584 118.041 -0.457 19684 6292 1 19 . 1 1 23 23 CYS HA H 23 4.369 4.369 4.521 -0.152 19684 6293 1 19 . 1 1 23 23 CYS C C 23 173.409 173.409 173.938 -0.529 19684 6294 1 19 . 1 1 23 23 CYS CA C 23 58.325 58.325 58.304 0.021 19684 6295 1 19 . 1 1 23 23 CYS CB C 23 30.008 30.008 29.536 0.472 19684 6296 1 19 . 1 1 23 23 CYS H H 23 8.265 8.265 8.453 -0.188 19684 6297 1 19 . 1 1 24 24 GLU N N 24 131.184 131.184 127.069 4.115 19684 6298 1 19 . 1 1 24 24 GLU HA H 24 4.539 4.539 4.268 0.271 19684 6299 1 19 . 1 1 24 24 GLU C C 24 174.814 174.814 175.134 -0.320 19684 6300 1 19 . 1 1 24 24 GLU CA C 24 54.416 54.416 55.636 -1.220 19684 6301 1 19 . 1 1 24 24 GLU CB C 24 30.172 30.172 28.994 1.178 19684 6302 1 19 . 1 1 24 24 GLU H H 24 8.594 8.594 8.762 -0.169 19684 6303 1 19 . 1 1 25 25 ALA N N 25 128.937 128.937 127.839 1.098 19684 6304 1 19 . 1 1 25 25 ALA HA H 25 4.180 4.180 4.425 -0.245 19684 6305 1 19 . 1 1 25 25 ALA C C 25 178.154 178.154 177.293 0.861 19684 6306 1 19 . 1 1 25 25 ALA CA C 25 52.809 52.809 52.379 0.430 19684 6307 1 19 . 1 1 25 25 ALA CB C 25 20.779 20.779 19.547 1.232 19684 6308 1 19 . 1 1 25 25 ALA H H 25 8.555 8.555 7.642 0.913 19684 6309 1 19 . 1 1 26 26 GLU N N 26 119.582 119.582 122.510 -2.928 19684 6310 1 19 . 1 1 26 26 GLU HA H 26 4.268 4.268 4.183 0.085 19684 6311 1 19 . 1 1 26 26 GLU C C 26 175.916 175.916 175.930 -0.014 19684 6312 1 19 . 1 1 26 26 GLU CA C 26 56.345 56.345 56.163 0.182 19684 6313 1 19 . 1 1 26 26 GLU CB C 26 31.091 31.091 30.018 1.073 19684 6314 1 19 . 1 1 26 26 GLU H H 26 8.613 8.613 8.649 -0.036 19684 6315 1 19 . 1 1 27 27 HIS N N 27 115.533 115.533 118.803 -3.270 19684 6316 1 19 . 1 1 27 27 HIS C C 27 175.986 175.986 175.337 0.649 19684 6317 1 19 . 1 1 27 27 HIS CA C 27 54.711 54.711 55.546 -0.835 19684 6318 1 19 . 1 1 27 27 HIS CB C 27 32.077 32.077 30.787 1.290 19684 6319 1 19 . 1 1 27 27 HIS H H 27 7.418 7.418 7.817 -0.399 19684 6320 1 19 . 1 1 28 28 SER HA H 28 4.255 4.255 4.289 -0.034 19684 6321 1 19 . 1 1 28 28 SER C C 28 174.619 174.619 175.539 -0.920 19684 6322 1 19 . 1 1 28 28 SER CA C 28 60.985 60.985 60.266 0.719 19684 6323 1 19 . 1 1 28 28 SER CB C 28 62.890 62.890 63.530 -0.640 19684 6324 1 19 . 1 1 29 29 SER N N 29 114.287 114.287 116.411 -2.124 19684 6325 1 19 . 1 1 29 29 SER HA H 29 4.405 4.405 4.274 0.131 19684 6326 1 19 . 1 1 29 29 SER C C 29 174.305 174.305 174.880 -0.575 19684 6327 1 19 . 1 1 29 29 SER CA C 29 58.564 58.564 59.848 -1.284 19684 6328 1 19 . 1 1 29 29 SER CB C 29 62.953 62.953 63.416 -0.463 19684 6329 1 19 . 1 1 29 29 SER H H 29 8.207 8.207 8.056 0.151 19684 6330 1 19 . 1 1 30 30 GLU N N 30 122.312 122.312 120.316 1.996 19684 6331 1 19 . 1 1 30 30 GLU HA H 30 4.690 4.690 4.658 0.032 19684 6332 1 19 . 1 1 30 30 GLU C C 30 175.373 175.373 176.108 -0.735 19684 6333 1 19 . 1 1 30 30 GLU CA C 30 54.894 54.894 56.268 -1.374 19684 6334 1 19 . 1 1 30 30 GLU CB C 30 31.495 31.495 30.680 0.815 19684 6335 1 19 . 1 1 30 30 GLU H H 30 7.798 7.798 7.935 -0.137 19684 6336 1 19 . 1 1 31 31 LEU N N 31 118.829 118.829 125.724 -6.895 19684 6337 1 19 . 1 1 31 31 LEU HA H 31 4.686 4.686 4.695 -0.009 19684 6338 1 19 . 1 1 31 31 LEU C C 31 177.013 177.013 176.756 0.257 19684 6339 1 19 . 1 1 31 31 LEU CA C 31 54.627 54.627 54.700 -0.073 19684 6340 1 19 . 1 1 31 31 LEU CB C 31 43.640 43.640 43.618 0.022 19684 6341 1 19 . 1 1 31 31 LEU H H 31 8.084 8.084 8.840 -0.756 19684 6342 1 19 . 1 1 32 32 SER N N 32 115.422 115.422 117.956 -2.534 19684 6343 1 19 . 1 1 32 32 SER HA H 32 4.863 4.863 5.338 -0.475 19684 6344 1 19 . 1 1 32 32 SER C C 32 173.966 173.966 174.383 -0.417 19684 6345 1 19 . 1 1 32 32 SER CA C 32 57.745 57.745 58.166 -0.421 19684 6346 1 19 . 1 1 32 32 SER CB C 32 64.735 64.735 63.926 0.809 19684 6347 1 19 . 1 1 32 32 SER H H 32 8.054 8.054 8.615 -0.561 19684 6348 1 19 . 1 1 33 33 PHE N N 33 116.920 116.920 120.988 -4.068 19684 6349 1 19 . 1 1 33 33 PHE HA H 33 4.889 4.889 5.059 -0.170 19684 6350 1 19 . 1 1 33 33 PHE C C 33 173.660 173.660 172.828 0.832 19684 6351 1 19 . 1 1 33 33 PHE CA C 33 56.261 56.261 56.981 -0.720 19684 6352 1 19 . 1 1 33 33 PHE CB C 33 39.272 39.272 41.487 -2.215 19684 6353 1 19 . 1 1 33 33 PHE H H 33 8.697 8.697 8.697 -0.000 19684 6354 1 19 . 1 1 34 34 GLU N N 34 119.852 119.852 118.604 1.248 19684 6355 1 19 . 1 1 34 34 GLU HA H 34 4.622 4.622 4.828 -0.206 19684 6356 1 19 . 1 1 34 34 GLU C C 34 176.044 176.044 175.730 0.314 19684 6357 1 19 . 1 1 34 34 GLU CA C 34 53.759 53.759 54.120 -0.361 19684 6358 1 19 . 1 1 34 34 GLU CB C 34 31.878 31.878 33.692 -1.814 19684 6359 1 19 . 1 1 34 34 GLU H H 34 8.616 8.616 8.724 -0.108 19684 6360 1 19 . 1 1 35 35 ILE N N 35 118.386 118.386 121.286 -2.900 19684 6361 1 19 . 1 1 35 35 ILE HA H 35 3.173 3.173 3.918 -0.745 19684 6362 1 19 . 1 1 35 35 ILE C C 35 177.205 177.205 177.537 -0.332 19684 6363 1 19 . 1 1 35 35 ILE CA C 35 64.926 64.926 63.302 1.624 19684 6364 1 19 . 1 1 35 35 ILE CB C 35 38.013 38.013 36.617 1.395 19684 6365 1 19 . 1 1 35 35 ILE H H 35 8.428 8.428 8.695 -0.267 19684 6366 1 19 . 1 1 36 36 GLY N N 36 114.528 114.528 115.915 -1.387 19684 6367 1 19 . 1 1 36 36 GLY C C 36 173.669 173.669 173.883 -0.214 19684 6368 1 19 . 1 1 36 36 GLY CA C 36 44.601 44.601 44.665 -0.064 19684 6369 1 19 . 1 1 36 36 GLY H H 36 8.568 8.568 8.574 -0.006 19684 6370 1 19 . 1 1 37 37 ALA N N 37 123.910 123.910 125.347 -1.437 19684 6371 1 19 . 1 1 37 37 ALA HA H 37 3.975 3.975 4.227 -0.252 19684 6372 1 19 . 1 1 37 37 ALA C C 37 175.106 175.106 176.445 -1.339 19684 6373 1 19 . 1 1 37 37 ALA CA C 37 53.061 53.061 51.906 1.155 19684 6374 1 19 . 1 1 37 37 ALA CB C 37 19.337 19.337 18.783 0.554 19684 6375 1 19 . 1 1 37 37 ALA H H 37 7.564 7.564 7.742 -0.178 19684 6376 1 19 . 1 1 38 38 ILE N N 38 120.298 120.298 124.565 -4.267 19684 6377 1 19 . 1 1 38 38 ILE HA H 38 4.867 4.867 4.518 0.349 19684 6378 1 19 . 1 1 38 38 ILE C C 38 174.910 174.910 175.405 -0.495 19684 6379 1 19 . 1 1 38 38 ILE CA C 38 58.050 58.050 59.199 -1.149 19684 6380 1 19 . 1 1 38 38 ILE CB C 38 38.080 38.080 36.949 1.131 19684 6381 1 19 . 1 1 38 38 ILE H H 38 7.843 7.843 7.939 -0.096 19684 6382 1 19 . 1 1 39 39 PHE N N 39 124.481 124.481 127.224 -2.743 19684 6383 1 19 . 1 1 39 39 PHE HA H 39 4.889 4.889 5.199 -0.310 19684 6384 1 19 . 1 1 39 39 PHE C C 39 175.106 175.106 175.810 -0.704 19684 6385 1 19 . 1 1 39 39 PHE CA C 39 55.542 55.542 56.061 -0.519 19684 6386 1 19 . 1 1 39 39 PHE CB C 39 42.173 42.173 41.978 0.195 19684 6387 1 19 . 1 1 39 39 PHE H H 39 8.884 8.884 8.631 0.253 19684 6388 1 19 . 1 1 40 40 GLU N N 40 117.747 117.747 118.785 -1.038 19684 6389 1 19 . 1 1 40 40 GLU HA H 40 4.788 4.788 4.738 0.050 19684 6390 1 19 . 1 1 40 40 GLU C C 40 175.797 175.797 175.907 -0.110 19684 6391 1 19 . 1 1 40 40 GLU CA C 40 53.945 53.945 55.507 -1.562 19684 6392 1 19 . 1 1 40 40 GLU CB C 40 32.928 32.928 33.843 -0.915 19684 6393 1 19 . 1 1 40 40 GLU H H 40 9.047 9.047 8.543 0.504 19684 6394 1 19 . 1 1 41 41 ASP N N 41 120.461 120.461 120.309 0.152 19684 6395 1 19 . 1 1 41 41 ASP HA H 41 4.331 4.331 4.188 0.143 19684 6396 1 19 . 1 1 41 41 ASP C C 41 175.720 175.720 175.326 0.394 19684 6397 1 19 . 1 1 41 41 ASP CA C 41 54.842 54.842 55.297 -0.455 19684 6398 1 19 . 1 1 41 41 ASP CB C 41 39.241 39.241 40.103 -0.862 19684 6399 1 19 . 1 1 41 41 ASP H H 41 8.875 8.875 8.475 0.400 19684 6400 1 19 . 1 1 42 42 VAL N N 42 120.471 120.471 118.505 1.966 19684 6401 1 19 . 1 1 42 42 VAL HA H 42 4.788 4.788 4.140 0.648 19684 6402 1 19 . 1 1 42 42 VAL C C 42 176.652 176.652 175.834 0.818 19684 6403 1 19 . 1 1 42 42 VAL CA C 42 62.583 62.583 63.253 -0.670 19684 6404 1 19 . 1 1 42 42 VAL CB C 42 31.408 31.408 31.834 -0.426 19684 6405 1 19 . 1 1 42 42 VAL H H 42 8.932 8.932 7.954 0.978 19684 6406 1 19 . 1 1 43 43 GLN N N 43 124.450 124.450 127.694 -3.244 19684 6407 1 19 . 1 1 43 43 GLN HA H 43 4.859 4.859 4.694 0.165 19684 6408 1 19 . 1 1 43 43 GLN C C 43 174.928 174.928 174.707 0.221 19684 6409 1 19 . 1 1 43 43 GLN CA C 43 53.436 53.436 53.703 -0.267 19684 6410 1 19 . 1 1 43 43 GLN CB C 43 33.482 33.482 32.891 0.591 19684 6411 1 19 . 1 1 43 43 GLN H H 43 9.057 9.057 8.731 0.326 19684 6412 1 19 . 1 1 44 44 THR N N 44 116.345 116.345 117.125 -0.780 19684 6413 1 19 . 1 1 44 44 THR HA H 44 4.149 4.149 4.481 -0.332 19684 6414 1 19 . 1 1 44 44 THR C C 44 174.138 174.138 174.674 -0.536 19684 6415 1 19 . 1 1 44 44 THR CA C 44 64.288 64.288 62.621 1.667 19684 6416 1 19 . 1 1 44 44 THR CB C 44 69.164 69.164 68.987 0.177 19684 6417 1 19 . 1 1 44 44 THR H H 44 8.640 8.640 8.434 0.206 19684 6418 1 19 . 1 1 45 45 SER N N 45 119.635 119.635 122.085 -2.450 19684 6419 1 19 . 1 1 45 45 SER HA H 45 4.670 4.670 4.591 0.079 19684 6420 1 19 . 1 1 45 45 SER C C 45 174.304 174.304 175.568 -1.264 19684 6421 1 19 . 1 1 45 45 SER CA C 45 57.064 57.064 57.899 -0.835 19684 6422 1 19 . 1 1 45 45 SER CB C 45 65.275 65.275 64.582 0.693 19684 6423 1 19 . 1 1 45 45 SER H H 45 7.971 7.971 8.056 -0.085 19684 6424 1 19 . 1 1 46 46 ARG N N 46 120.482 120.482 121.813 -1.331 19684 6425 1 19 . 1 1 46 46 ARG HA H 46 4.170 4.170 4.181 -0.011 19684 6426 1 19 . 1 1 46 46 ARG C C 46 176.486 176.486 176.305 0.181 19684 6427 1 19 . 1 1 46 46 ARG CA C 46 57.675 57.675 57.929 -0.255 19684 6428 1 19 . 1 1 46 46 ARG CB C 46 30.019 30.019 30.322 -0.303 19684 6429 1 19 . 1 1 46 46 ARG H H 46 8.491 8.491 8.752 -0.261 19684 6430 1 19 . 1 1 47 47 GLU N N 47 121.489 121.489 119.507 1.982 19684 6431 1 19 . 1 1 47 47 GLU HA H 47 4.820 4.820 4.578 0.242 19684 6432 1 19 . 1 1 47 47 GLU C C 47 173.926 173.926 175.017 -1.091 19684 6433 1 19 . 1 1 47 47 GLU CA C 47 52.716 52.716 53.473 -0.757 19684 6434 1 19 . 1 1 47 47 GLU CB C 47 30.039 30.039 29.051 0.988 19684 6435 1 19 . 1 1 47 47 GLU H H 47 8.530 8.530 8.013 0.517 19684 6436 1 19 . 1 1 48 48 PRO HA H 48 4.363 4.363 4.351 0.012 19684 6437 1 19 . 1 1 48 48 PRO C C 48 177.954 177.954 176.786 1.168 19684 6438 1 19 . 1 1 48 48 PRO CA C 48 63.672 63.672 63.665 0.007 19684 6439 1 19 . 1 1 48 48 PRO CB C 48 31.798 31.798 31.195 0.603 19684 6440 1 19 . 1 1 49 49 GLY N N 49 110.220 110.220 110.990 -0.770 19684 6441 1 19 . 1 1 49 49 GLY C C 49 174.196 174.196 173.709 0.487 19684 6442 1 19 . 1 1 49 49 GLY CA C 49 44.965 44.965 44.939 0.026 19684 6443 1 19 . 1 1 49 49 GLY H H 49 8.660 8.660 8.463 0.197 19684 6444 1 19 . 1 1 50 50 TRP N N 50 120.527 120.527 120.198 0.329 19684 6445 1 19 . 1 1 50 50 TRP HA H 50 5.098 5.098 5.421 -0.323 19684 6446 1 19 . 1 1 50 50 TRP C C 50 175.686 175.686 175.376 0.310 19684 6447 1 19 . 1 1 50 50 TRP CA C 50 56.460 56.460 56.236 0.224 19684 6448 1 19 . 1 1 50 50 TRP CB C 50 31.745 31.745 31.476 0.269 19684 6449 1 19 . 1 1 50 50 TRP H H 50 8.025 8.025 7.573 0.452 19684 6450 1 19 . 1 1 51 51 LEU N N 51 123.575 123.575 119.917 3.658 19684 6451 1 19 . 1 1 51 51 LEU HA H 51 4.966 4.966 5.131 -0.165 19684 6452 1 19 . 1 1 51 51 LEU C C 51 175.162 175.162 175.760 -0.598 19684 6453 1 19 . 1 1 51 51 LEU CA C 51 52.643 52.643 53.210 -0.567 19684 6454 1 19 . 1 1 51 51 LEU CB C 51 44.214 44.214 46.345 -2.131 19684 6455 1 19 . 1 1 51 51 LEU H H 51 9.635 9.635 8.994 0.641 19684 6456 1 19 . 1 1 52 52 GLU N N 52 119.825 119.825 120.261 -0.436 19684 6457 1 19 . 1 1 52 52 GLU HA H 52 5.180 5.180 5.419 -0.239 19684 6458 1 19 . 1 1 52 52 GLU C C 52 175.082 175.082 176.272 -1.190 19684 6459 1 19 . 1 1 52 52 GLU CA C 52 54.693 54.693 55.056 -0.362 19684 6460 1 19 . 1 1 52 52 GLU CB C 52 32.735 32.735 32.117 0.619 19684 6461 1 19 . 1 1 52 52 GLU H H 52 9.144 9.144 8.424 0.720 19684 6462 1 19 . 1 1 53 53 GLY N N 53 106.528 106.528 111.736 -5.208 19684 6463 1 19 . 1 1 53 53 GLY C C 53 170.278 170.278 172.934 -2.656 19684 6464 1 19 . 1 1 53 53 GLY CA C 53 45.500 45.500 44.330 1.171 19684 6465 1 19 . 1 1 53 53 GLY H H 53 8.500 8.500 8.280 0.220 19684 6466 1 19 . 1 1 54 54 THR N N 54 115.540 115.540 119.148 -3.608 19684 6467 1 19 . 1 1 54 54 THR HA H 54 5.334 5.334 4.906 0.428 19684 6468 1 19 . 1 1 54 54 THR C C 54 173.549 173.549 173.421 0.128 19684 6469 1 19 . 1 1 54 54 THR CA C 54 61.186 61.186 62.249 -1.063 19684 6470 1 19 . 1 1 54 54 THR CB C 54 69.935 69.935 70.288 -0.353 19684 6471 1 19 . 1 1 54 54 THR H H 54 9.085 9.085 8.807 0.278 19684 6472 1 19 . 1 1 55 55 LEU N N 55 128.613 128.613 129.589 -0.976 19684 6473 1 19 . 1 1 55 55 LEU HA H 55 4.842 4.842 4.785 0.057 19684 6474 1 19 . 1 1 55 55 LEU C C 55 176.045 176.045 176.304 -0.259 19684 6475 1 19 . 1 1 55 55 LEU CA C 55 53.387 53.387 53.521 -0.134 19684 6476 1 19 . 1 1 55 55 LEU CB C 55 45.579 45.579 43.441 2.138 19684 6477 1 19 . 1 1 55 55 LEU H H 55 9.368 9.368 8.537 0.831 19684 6478 1 19 . 1 1 56 56 ASN N N 56 128.674 128.674 124.561 4.113 19684 6479 1 19 . 1 1 56 56 ASN HA H 56 4.403 4.403 4.359 0.044 19684 6480 1 19 . 1 1 56 56 ASN C C 56 175.457 175.457 175.600 -0.143 19684 6481 1 19 . 1 1 56 56 ASN CA C 56 54.126 54.126 55.472 -1.346 19684 6482 1 19 . 1 1 56 56 ASN CB C 56 37.291 37.291 37.631 -0.340 19684 6483 1 19 . 1 1 56 56 ASN H H 56 9.670 9.670 9.194 0.476 19684 6484 1 19 . 1 1 57 57 GLY N N 57 102.683 102.683 107.171 -4.488 19684 6485 1 19 . 1 1 57 57 GLY C C 57 173.175 173.175 172.584 0.591 19684 6486 1 19 . 1 1 57 57 GLY CA C 57 45.263 45.263 45.276 -0.013 19684 6487 1 19 . 1 1 57 57 GLY H H 57 8.441 8.441 8.332 0.109 19684 6488 1 19 . 1 1 58 58 LYS N N 58 122.749 122.749 121.625 1.124 19684 6489 1 19 . 1 1 58 58 LYS HA H 58 4.621 4.621 4.625 -0.004 19684 6490 1 19 . 1 1 58 58 LYS C C 58 173.237 173.237 175.030 -1.793 19684 6491 1 19 . 1 1 58 58 LYS CA C 58 54.962 54.962 55.196 -0.234 19684 6492 1 19 . 1 1 58 58 LYS CB C 58 34.303 34.303 35.142 -0.839 19684 6493 1 19 . 1 1 58 58 LYS H H 58 7.847 7.847 7.667 0.180 19684 6494 1 19 . 1 1 59 59 ARG N N 59 127.435 127.435 128.092 -0.657 19684 6495 1 19 . 1 1 59 59 ARG HA H 59 5.417 5.417 5.347 0.070 19684 6496 1 19 . 1 1 59 59 ARG C C 59 176.486 176.486 175.816 0.670 19684 6497 1 19 . 1 1 59 59 ARG CA C 59 54.079 54.079 55.495 -1.417 19684 6498 1 19 . 1 1 59 59 ARG CB C 59 31.815 31.815 32.032 -0.217 19684 6499 1 19 . 1 1 59 59 ARG H H 59 8.741 8.741 8.731 0.010 19684 6500 1 19 . 1 1 60 60 GLY N N 60 112.447 112.447 111.070 1.377 19684 6501 1 19 . 1 1 60 60 GLY C C 60 170.709 170.709 172.568 -1.859 19684 6502 1 19 . 1 1 60 60 GLY CA C 60 45.648 45.648 44.984 0.664 19684 6503 1 19 . 1 1 60 60 GLY H H 60 8.745 8.745 8.045 0.700 19684 6504 1 19 . 1 1 61 61 LEU N N 61 117.631 117.631 121.757 -4.126 19684 6505 1 19 . 1 1 61 61 LEU HA H 61 5.330 5.330 5.007 0.323 19684 6506 1 19 . 1 1 61 61 LEU C C 61 178.461 178.461 176.606 1.855 19684 6507 1 19 . 1 1 61 61 LEU CA C 61 54.784 54.784 55.426 -0.642 19684 6508 1 19 . 1 1 61 61 LEU CB C 61 44.075 44.075 42.669 1.406 19684 6509 1 19 . 1 1 61 61 LEU H H 61 8.527 8.527 8.203 0.324 19684 6510 1 19 . 1 1 62 62 ILE N N 62 121.463 121.463 124.345 -2.882 19684 6511 1 19 . 1 1 62 62 ILE HA H 62 4.899 4.899 4.836 0.063 19684 6512 1 19 . 1 1 62 62 ILE C C 62 172.776 172.776 173.596 -0.820 19684 6513 1 19 . 1 1 62 62 ILE CA C 62 58.089 58.089 58.115 -0.026 19684 6514 1 19 . 1 1 62 62 ILE CB C 62 43.821 43.821 40.792 3.029 19684 6515 1 19 . 1 1 62 62 ILE H H 62 9.387 9.387 9.222 0.165 19684 6516 1 19 . 1 1 63 63 PRO HA H 63 3.610 3.610 3.802 -0.192 19684 6517 1 19 . 1 1 63 63 PRO C C 63 179.007 179.007 176.992 2.015 19684 6518 1 19 . 1 1 63 63 PRO CA C 63 62.475 62.475 62.308 0.167 19684 6519 1 19 . 1 1 63 63 PRO CB C 63 30.637 30.637 30.964 -0.327 19684 6520 1 19 . 1 1 64 64 GLN N N 64 124.254 124.254 127.180 -2.926 19684 6521 1 19 . 1 1 64 64 GLN HA H 64 3.624 3.624 3.809 -0.185 19684 6522 1 19 . 1 1 64 64 GLN C C 64 176.210 176.210 177.763 -1.553 19684 6523 1 19 . 1 1 64 64 GLN CA C 64 58.984 58.984 59.361 -0.377 19684 6524 1 19 . 1 1 64 64 GLN CB C 64 28.212 28.212 28.579 -0.367 19684 6525 1 19 . 1 1 64 64 GLN H H 64 8.045 8.045 8.238 -0.193 19684 6526 1 19 . 1 1 65 65 ASN N N 65 111.289 111.289 116.527 -5.238 19684 6527 1 19 . 1 1 65 65 ASN HA H 65 4.722 4.722 4.531 0.191 19684 6528 1 19 . 1 1 65 65 ASN C C 65 175.720 175.720 176.523 -0.803 19684 6529 1 19 . 1 1 65 65 ASN CA C 65 53.734 53.734 55.345 -1.611 19684 6530 1 19 . 1 1 65 65 ASN CB C 65 36.735 36.735 38.242 -1.507 19684 6531 1 19 . 1 1 65 65 ASN H H 65 8.543 8.543 8.509 0.034 19684 6532 1 19 . 1 1 66 66 TYR N N 66 118.333 118.333 115.713 2.620 19684 6533 1 19 . 1 1 66 66 TYR HA H 66 4.906 4.906 4.879 0.027 19684 6534 1 19 . 1 1 66 66 TYR C C 66 175.641 175.641 175.761 -0.120 19684 6535 1 19 . 1 1 66 66 TYR CA C 66 57.121 57.121 57.296 -0.175 19684 6536 1 19 . 1 1 66 66 TYR CB C 66 37.682 37.682 38.621 -0.939 19684 6537 1 19 . 1 1 66 66 TYR H H 66 7.919 7.919 7.631 0.288 19684 6538 1 19 . 1 1 67 67 VAL N N 67 108.796 108.796 112.145 -3.349 19684 6539 1 19 . 1 1 67 67 VAL HA H 67 5.441 5.441 5.103 0.338 19684 6540 1 19 . 1 1 67 67 VAL C C 67 173.714 173.714 175.336 -1.622 19684 6541 1 19 . 1 1 67 67 VAL CA C 67 57.990 57.990 58.593 -0.602 19684 6542 1 19 . 1 1 67 67 VAL CB C 67 35.467 35.467 34.675 0.791 19684 6543 1 19 . 1 1 67 67 VAL H H 67 7.341 7.341 7.386 -0.045 19684 6544 1 19 . 1 1 68 68 LYS N N 68 120.974 120.974 120.926 0.048 19684 6545 1 19 . 1 1 68 68 LYS HA H 68 4.692 4.692 4.625 0.067 19684 6546 1 19 . 1 1 68 68 LYS C C 68 175.962 175.962 175.773 0.189 19684 6547 1 19 . 1 1 68 68 LYS CA C 68 54.108 54.108 53.985 0.123 19684 6548 1 19 . 1 1 68 68 LYS CB C 68 35.051 35.051 34.456 0.595 19684 6549 1 19 . 1 1 68 68 LYS H H 68 8.907 8.907 8.297 0.610 19684 6550 1 19 . 1 1 69 69 LEU N N 69 126.343 126.343 126.995 -0.652 19684 6551 1 19 . 1 1 69 69 LEU HA H 69 4.392 4.392 4.452 -0.060 19684 6552 1 19 . 1 1 69 69 LEU C C 69 176.293 176.293 176.999 -0.706 19684 6553 1 19 . 1 1 69 69 LEU CA C 69 55.627 55.627 55.358 0.269 19684 6554 1 19 . 1 1 69 69 LEU CB C 69 41.278 41.278 41.081 0.197 19684 6555 1 19 . 1 1 69 69 LEU H H 69 8.791 8.791 8.644 0.147 19684 6556 1 20 . 1 1 2 2 GLY N N 2 113.935 113.935 115.156 -1.221 19684 6557 1 20 . 1 1 2 2 GLY CA C 2 43.362 43.362 44.655 -1.293 19684 6558 1 20 . 1 1 2 2 GLY H H 2 8.251 8.251 8.653 -0.402 19684 6559 1 20 . 1 1 9 9 SER HA H 9 4.375 4.375 4.590 -0.215 19684 6560 1 20 . 1 1 9 9 SER CA C 9 58.422 58.422 57.946 0.476 19684 6561 1 20 . 1 1 9 9 SER CB C 9 63.552 63.552 62.327 1.225 19684 6562 1 20 . 1 1 10 10 HIS HA H 10 4.622 4.622 4.154 0.468 19684 6563 1 20 . 1 1 10 10 HIS C C 10 174.853 174.853 173.960 0.893 19684 6564 1 20 . 1 1 10 10 HIS CA C 10 55.967 55.967 57.228 -1.261 19684 6565 1 20 . 1 1 10 10 HIS CB C 10 30.242 30.242 29.407 0.835 19684 6566 1 20 . 1 1 11 11 MET N N 11 121.242 121.242 117.680 3.562 19684 6567 1 20 . 1 1 11 11 MET HA H 11 4.432 4.432 4.099 0.333 19684 6568 1 20 . 1 1 11 11 MET C C 11 175.804 175.804 174.814 0.990 19684 6569 1 20 . 1 1 11 11 MET CA C 11 55.487 55.487 56.112 -0.625 19684 6570 1 20 . 1 1 11 11 MET CB C 11 32.712 32.712 32.599 0.113 19684 6571 1 20 . 1 1 11 11 MET H H 11 8.210 8.210 8.458 -0.248 19684 6572 1 20 . 1 1 12 12 ILE N N 12 122.708 122.708 116.769 5.939 19684 6573 1 20 . 1 1 12 12 ILE HA H 12 4.173 4.173 3.809 0.364 19684 6574 1 20 . 1 1 12 12 ILE C C 12 175.916 175.916 173.965 1.951 19684 6575 1 20 . 1 1 12 12 ILE CA C 12 60.878 60.878 62.014 -1.136 19684 6576 1 20 . 1 1 12 12 ILE CB C 12 38.534 38.534 37.462 1.072 19684 6577 1 20 . 1 1 12 12 ILE H H 12 8.236 8.236 8.163 0.073 19684 6578 1 20 . 1 1 13 13 ARG N N 13 125.079 125.079 121.806 3.273 19684 6579 1 20 . 1 1 13 13 ARG HA H 13 4.472 4.472 4.207 0.265 19684 6580 1 20 . 1 1 13 13 ARG C C 13 175.573 175.573 174.972 0.601 19684 6581 1 20 . 1 1 13 13 ARG CA C 13 55.645 55.645 55.397 0.248 19684 6582 1 20 . 1 1 13 13 ARG CB C 13 31.256 31.256 30.885 0.371 19684 6583 1 20 . 1 1 13 13 ARG H H 13 8.386 8.386 8.148 0.238 19684 6584 1 20 . 1 1 14 14 SER N N 14 117.250 117.250 116.992 0.258 19684 6585 1 20 . 1 1 14 14 SER HA H 14 4.441 4.441 4.845 -0.404 19684 6586 1 20 . 1 1 14 14 SER C C 14 174.090 174.090 173.899 0.191 19684 6587 1 20 . 1 1 14 14 SER CA C 14 58.062 58.062 57.885 0.177 19684 6588 1 20 . 1 1 14 14 SER CB C 14 63.638 63.638 63.980 -0.342 19684 6589 1 20 . 1 1 14 14 SER H H 14 8.386 8.386 7.749 0.637 19684 6590 1 20 . 1 1 15 15 ARG N N 15 123.266 123.266 127.316 -4.050 19684 6591 1 20 . 1 1 15 15 ARG HA H 15 4.651 4.651 4.612 0.039 19684 6592 1 20 . 1 1 15 15 ARG C C 15 174.913 174.913 174.800 0.113 19684 6593 1 20 . 1 1 15 15 ARG CA C 15 54.960 54.960 55.017 -0.057 19684 6594 1 20 . 1 1 15 15 ARG CB C 15 31.574 31.574 32.813 -1.239 19684 6595 1 20 . 1 1 15 15 ARG H H 15 8.721 8.721 8.426 0.295 19684 6596 1 20 . 1 1 16 16 LYS N N 16 120.105 120.105 120.894 -0.789 19684 6597 1 20 . 1 1 16 16 LYS HA H 16 5.315 5.315 5.630 -0.315 19684 6598 1 20 . 1 1 16 16 LYS C C 16 175.755 175.755 175.709 0.046 19684 6599 1 20 . 1 1 16 16 LYS CA C 16 54.926 54.926 54.399 0.527 19684 6600 1 20 . 1 1 16 16 LYS CB C 16 36.741 36.741 36.896 -0.155 19684 6601 1 20 . 1 1 16 16 LYS H H 16 8.406 8.406 8.492 -0.086 19684 6602 1 20 . 1 1 17 17 ALA N N 17 118.564 118.564 121.761 -3.197 19684 6603 1 20 . 1 1 17 17 ALA HA H 17 5.256 5.256 5.086 0.170 19684 6604 1 20 . 1 1 17 17 ALA C C 17 173.884 173.884 175.096 -1.212 19684 6605 1 20 . 1 1 17 17 ALA CA C 17 50.673 50.673 51.252 -0.579 19684 6606 1 20 . 1 1 17 17 ALA CB C 17 23.580 23.580 23.400 0.180 19684 6607 1 20 . 1 1 17 17 ALA H H 17 8.310 8.310 8.480 -0.170 19684 6608 1 20 . 1 1 18 18 ARG N N 18 119.872 119.872 121.055 -1.183 19684 6609 1 20 . 1 1 18 18 ARG HA H 18 5.755 5.755 5.019 0.736 19684 6610 1 20 . 1 1 18 18 ARG C C 18 176.196 176.196 175.079 1.117 19684 6611 1 20 . 1 1 18 18 ARG CA C 18 53.023 53.023 54.642 -1.619 19684 6612 1 20 . 1 1 18 18 ARG CB C 18 34.603 34.603 34.157 0.446 19684 6613 1 20 . 1 1 18 18 ARG H H 18 9.008 9.008 8.633 0.375 19684 6614 1 20 . 1 1 19 19 ALA N N 19 127.577 127.577 130.781 -3.204 19684 6615 1 20 . 1 1 19 19 ALA HA H 19 4.828 4.828 4.560 0.268 19684 6616 1 20 . 1 1 19 19 ALA C C 19 178.887 178.887 177.502 1.385 19684 6617 1 20 . 1 1 19 19 ALA CA C 19 53.215 53.215 52.453 0.762 19684 6618 1 20 . 1 1 19 19 ALA CB C 19 21.164 21.164 19.163 2.001 19684 6619 1 20 . 1 1 19 19 ALA H H 19 9.456 9.456 8.711 0.745 19684 6620 1 20 . 1 1 20 20 VAL N N 20 120.989 120.989 121.297 -0.308 19684 6621 1 20 . 1 1 20 20 VAL HA H 20 4.233 4.233 4.182 0.051 19684 6622 1 20 . 1 1 20 20 VAL C C 20 173.478 173.478 175.084 -1.606 19684 6623 1 20 . 1 1 20 20 VAL CA C 20 61.659 61.659 62.796 -1.137 19684 6624 1 20 . 1 1 20 20 VAL CB C 20 32.406 32.406 31.956 0.450 19684 6625 1 20 . 1 1 20 20 VAL H H 20 9.261 9.261 8.394 0.867 19684 6626 1 20 . 1 1 21 21 TYR N N 21 120.793 120.793 119.942 0.851 19684 6627 1 20 . 1 1 21 21 TYR HA H 21 4.917 4.917 4.859 0.058 19684 6628 1 20 . 1 1 21 21 TYR C C 21 171.768 171.768 173.691 -1.923 19684 6629 1 20 . 1 1 21 21 TYR CA C 21 54.783 54.783 55.330 -0.547 19684 6630 1 20 . 1 1 21 21 TYR CB C 21 41.028 41.028 39.843 1.185 19684 6631 1 20 . 1 1 21 21 TYR H H 21 7.740 7.740 8.118 -0.378 19684 6632 1 20 . 1 1 22 22 PRO HA H 22 4.569 4.569 4.597 -0.028 19684 6633 1 20 . 1 1 22 22 PRO C C 22 175.447 175.447 175.084 0.363 19684 6634 1 20 . 1 1 22 22 PRO CA C 22 61.784 61.784 62.322 -0.538 19684 6635 1 20 . 1 1 22 22 PRO CB C 22 32.301 32.301 32.751 -0.450 19684 6636 1 20 . 1 1 23 23 CYS N N 23 117.584 117.584 120.845 -3.261 19684 6637 1 20 . 1 1 23 23 CYS HA H 23 4.369 4.369 4.661 -0.292 19684 6638 1 20 . 1 1 23 23 CYS C C 23 173.409 173.409 173.086 0.323 19684 6639 1 20 . 1 1 23 23 CYS CA C 23 58.325 58.325 56.510 1.815 19684 6640 1 20 . 1 1 23 23 CYS CB C 23 30.008 30.008 29.889 0.119 19684 6641 1 20 . 1 1 23 23 CYS H H 23 8.265 8.265 8.352 -0.087 19684 6642 1 20 . 1 1 24 24 GLU N N 24 131.184 131.184 123.891 7.293 19684 6643 1 20 . 1 1 24 24 GLU HA H 24 4.539 4.539 4.393 0.146 19684 6644 1 20 . 1 1 24 24 GLU C C 24 174.814 174.814 175.004 -0.190 19684 6645 1 20 . 1 1 24 24 GLU CA C 24 54.416 54.416 54.590 -0.174 19684 6646 1 20 . 1 1 24 24 GLU CB C 24 30.172 30.172 32.588 -2.416 19684 6647 1 20 . 1 1 24 24 GLU H H 24 8.594 8.594 8.568 0.026 19684 6648 1 20 . 1 1 25 25 ALA N N 25 128.937 128.937 128.221 0.716 19684 6649 1 20 . 1 1 25 25 ALA HA H 25 4.180 4.180 4.197 -0.017 19684 6650 1 20 . 1 1 25 25 ALA C C 25 178.154 178.154 177.777 0.377 19684 6651 1 20 . 1 1 25 25 ALA CA C 25 52.809 52.809 53.024 -0.215 19684 6652 1 20 . 1 1 25 25 ALA CB C 25 20.779 20.779 18.731 2.048 19684 6653 1 20 . 1 1 25 25 ALA H H 25 8.555 8.555 8.562 -0.007 19684 6654 1 20 . 1 1 26 26 GLU N N 26 119.582 119.582 122.614 -3.032 19684 6655 1 20 . 1 1 26 26 GLU HA H 26 4.268 4.268 3.935 0.333 19684 6656 1 20 . 1 1 26 26 GLU C C 26 175.916 175.916 176.712 -0.796 19684 6657 1 20 . 1 1 26 26 GLU CA C 26 56.345 56.345 58.474 -2.129 19684 6658 1 20 . 1 1 26 26 GLU CB C 26 31.091 31.091 29.891 1.200 19684 6659 1 20 . 1 1 26 26 GLU H H 26 8.613 8.613 9.008 -0.395 19684 6660 1 20 . 1 1 27 27 HIS N N 27 115.533 115.533 114.508 1.025 19684 6661 1 20 . 1 1 27 27 HIS C C 27 175.986 175.986 175.418 0.568 19684 6662 1 20 . 1 1 27 27 HIS CA C 27 54.711 54.711 57.054 -2.343 19684 6663 1 20 . 1 1 27 27 HIS CB C 27 32.077 32.077 32.194 -0.117 19684 6664 1 20 . 1 1 27 27 HIS H H 27 7.418 7.418 8.100 -0.682 19684 6665 1 20 . 1 1 28 28 SER HA H 28 4.255 4.255 4.385 -0.130 19684 6666 1 20 . 1 1 28 28 SER C C 28 174.619 174.619 174.170 0.449 19684 6667 1 20 . 1 1 28 28 SER CA C 28 60.985 60.985 59.453 1.532 19684 6668 1 20 . 1 1 28 28 SER CB C 28 62.890 62.890 63.328 -0.438 19684 6669 1 20 . 1 1 29 29 SER N N 29 114.287 114.287 117.674 -3.387 19684 6670 1 20 . 1 1 29 29 SER HA H 29 4.405 4.405 4.335 0.070 19684 6671 1 20 . 1 1 29 29 SER C C 29 174.305 174.305 174.957 -0.652 19684 6672 1 20 . 1 1 29 29 SER CA C 29 58.564 58.564 60.101 -1.537 19684 6673 1 20 . 1 1 29 29 SER CB C 29 62.953 62.953 63.381 -0.428 19684 6674 1 20 . 1 1 29 29 SER H H 29 8.207 8.207 8.720 -0.513 19684 6675 1 20 . 1 1 30 30 GLU N N 30 122.312 122.312 120.675 1.637 19684 6676 1 20 . 1 1 30 30 GLU HA H 30 4.690 4.690 4.715 -0.025 19684 6677 1 20 . 1 1 30 30 GLU C C 30 175.373 175.373 176.417 -1.044 19684 6678 1 20 . 1 1 30 30 GLU CA C 30 54.894 54.894 56.802 -1.908 19684 6679 1 20 . 1 1 30 30 GLU CB C 30 31.495 31.495 30.314 1.181 19684 6680 1 20 . 1 1 30 30 GLU H H 30 7.798 7.798 7.756 0.042 19684 6681 1 20 . 1 1 31 31 LEU N N 31 118.829 118.829 123.512 -4.683 19684 6682 1 20 . 1 1 31 31 LEU HA H 31 4.686 4.686 4.782 -0.096 19684 6683 1 20 . 1 1 31 31 LEU C C 31 177.013 177.013 176.102 0.911 19684 6684 1 20 . 1 1 31 31 LEU CA C 31 54.627 54.627 53.939 0.688 19684 6685 1 20 . 1 1 31 31 LEU CB C 31 43.640 43.640 44.035 -0.395 19684 6686 1 20 . 1 1 31 31 LEU H H 31 8.084 8.084 8.914 -0.830 19684 6687 1 20 . 1 1 32 32 SER N N 32 115.422 115.422 116.850 -1.428 19684 6688 1 20 . 1 1 32 32 SER HA H 32 4.863 4.863 4.691 0.172 19684 6689 1 20 . 1 1 32 32 SER C C 32 173.966 173.966 174.088 -0.122 19684 6690 1 20 . 1 1 32 32 SER CA C 32 57.745 57.745 57.121 0.624 19684 6691 1 20 . 1 1 32 32 SER CB C 32 64.735 64.735 63.906 0.829 19684 6692 1 20 . 1 1 32 32 SER H H 32 8.054 8.054 8.489 -0.435 19684 6693 1 20 . 1 1 33 33 PHE N N 33 116.920 116.920 120.073 -3.153 19684 6694 1 20 . 1 1 33 33 PHE HA H 33 4.889 4.889 5.018 -0.129 19684 6695 1 20 . 1 1 33 33 PHE C C 33 173.660 173.660 173.504 0.156 19684 6696 1 20 . 1 1 33 33 PHE CA C 33 56.261 56.261 57.050 -0.788 19684 6697 1 20 . 1 1 33 33 PHE CB C 33 39.272 39.272 41.250 -1.978 19684 6698 1 20 . 1 1 33 33 PHE H H 33 8.697 8.697 8.603 0.094 19684 6699 1 20 . 1 1 34 34 GLU N N 34 119.852 119.852 118.509 1.343 19684 6700 1 20 . 1 1 34 34 GLU HA H 34 4.622 4.622 4.844 -0.222 19684 6701 1 20 . 1 1 34 34 GLU C C 34 176.044 176.044 175.592 0.452 19684 6702 1 20 . 1 1 34 34 GLU CA C 34 53.759 53.759 54.354 -0.595 19684 6703 1 20 . 1 1 34 34 GLU CB C 34 31.878 31.878 33.690 -1.812 19684 6704 1 20 . 1 1 34 34 GLU H H 34 8.616 8.616 8.708 -0.092 19684 6705 1 20 . 1 1 35 35 ILE N N 35 118.386 118.386 120.831 -2.445 19684 6706 1 20 . 1 1 35 35 ILE HA H 35 3.173 3.173 3.970 -0.797 19684 6707 1 20 . 1 1 35 35 ILE C C 35 177.205 177.205 177.059 0.146 19684 6708 1 20 . 1 1 35 35 ILE CA C 35 64.926 64.926 62.969 1.957 19684 6709 1 20 . 1 1 35 35 ILE CB C 35 38.013 38.013 36.869 1.144 19684 6710 1 20 . 1 1 35 35 ILE H H 35 8.428 8.428 8.629 -0.201 19684 6711 1 20 . 1 1 36 36 GLY N N 36 114.528 114.528 115.345 -0.817 19684 6712 1 20 . 1 1 36 36 GLY C C 36 173.669 173.669 173.863 -0.194 19684 6713 1 20 . 1 1 36 36 GLY CA C 36 44.601 44.601 44.541 0.060 19684 6714 1 20 . 1 1 36 36 GLY H H 36 8.568 8.568 8.603 -0.035 19684 6715 1 20 . 1 1 37 37 ALA N N 37 123.910 123.910 125.557 -1.647 19684 6716 1 20 . 1 1 37 37 ALA HA H 37 3.975 3.975 4.087 -0.112 19684 6717 1 20 . 1 1 37 37 ALA C C 37 175.106 175.106 176.628 -1.522 19684 6718 1 20 . 1 1 37 37 ALA CA C 37 53.061 53.061 52.724 0.337 19684 6719 1 20 . 1 1 37 37 ALA CB C 37 19.337 19.337 18.934 0.403 19684 6720 1 20 . 1 1 37 37 ALA H H 37 7.564 7.564 7.757 -0.193 19684 6721 1 20 . 1 1 38 38 ILE N N 38 120.298 120.298 123.668 -3.370 19684 6722 1 20 . 1 1 38 38 ILE HA H 38 4.867 4.867 4.774 0.093 19684 6723 1 20 . 1 1 38 38 ILE C C 38 174.910 174.910 175.256 -0.346 19684 6724 1 20 . 1 1 38 38 ILE CA C 38 58.050 58.050 58.841 -0.791 19684 6725 1 20 . 1 1 38 38 ILE CB C 38 38.080 38.080 37.744 0.336 19684 6726 1 20 . 1 1 38 38 ILE H H 38 7.843 7.843 7.828 0.015 19684 6727 1 20 . 1 1 39 39 PHE N N 39 124.481 124.481 125.552 -1.071 19684 6728 1 20 . 1 1 39 39 PHE HA H 39 4.889 4.889 5.183 -0.294 19684 6729 1 20 . 1 1 39 39 PHE C C 39 175.106 175.106 175.205 -0.099 19684 6730 1 20 . 1 1 39 39 PHE CA C 39 55.542 55.542 56.048 -0.506 19684 6731 1 20 . 1 1 39 39 PHE CB C 39 42.173 42.173 42.332 -0.159 19684 6732 1 20 . 1 1 39 39 PHE H H 39 8.884 8.884 8.521 0.363 19684 6733 1 20 . 1 1 40 40 GLU N N 40 117.747 117.747 120.504 -2.757 19684 6734 1 20 . 1 1 40 40 GLU HA H 40 4.788 4.788 5.080 -0.292 19684 6735 1 20 . 1 1 40 40 GLU C C 40 175.797 175.797 177.087 -1.290 19684 6736 1 20 . 1 1 40 40 GLU CA C 40 53.945 53.945 54.247 -0.302 19684 6737 1 20 . 1 1 40 40 GLU CB C 40 32.928 32.928 31.734 1.194 19684 6738 1 20 . 1 1 40 40 GLU H H 40 9.047 9.047 8.628 0.419 19684 6739 1 20 . 1 1 41 41 ASP N N 41 120.461 120.461 120.932 -0.471 19684 6740 1 20 . 1 1 41 41 ASP HA H 41 4.331 4.331 4.249 0.082 19684 6741 1 20 . 1 1 41 41 ASP C C 41 175.720 175.720 175.412 0.308 19684 6742 1 20 . 1 1 41 41 ASP CA C 41 54.842 54.842 55.559 -0.717 19684 6743 1 20 . 1 1 41 41 ASP CB C 41 39.241 39.241 39.619 -0.378 19684 6744 1 20 . 1 1 41 41 ASP H H 41 8.875 8.875 8.669 0.206 19684 6745 1 20 . 1 1 42 42 VAL N N 42 120.471 120.471 118.597 1.874 19684 6746 1 20 . 1 1 42 42 VAL HA H 42 4.788 4.788 4.487 0.301 19684 6747 1 20 . 1 1 42 42 VAL C C 42 176.652 176.652 175.715 0.937 19684 6748 1 20 . 1 1 42 42 VAL CA C 42 62.583 62.583 63.090 -0.507 19684 6749 1 20 . 1 1 42 42 VAL CB C 42 31.408 31.408 31.369 0.039 19684 6750 1 20 . 1 1 42 42 VAL H H 42 8.932 8.932 8.143 0.789 19684 6751 1 20 . 1 1 43 43 GLN N N 43 124.450 124.450 126.724 -2.274 19684 6752 1 20 . 1 1 43 43 GLN HA H 43 4.859 4.859 4.855 0.004 19684 6753 1 20 . 1 1 43 43 GLN C C 43 174.928 174.928 174.694 0.234 19684 6754 1 20 . 1 1 43 43 GLN CA C 43 53.436 53.436 53.627 -0.191 19684 6755 1 20 . 1 1 43 43 GLN CB C 43 33.482 33.482 33.112 0.370 19684 6756 1 20 . 1 1 43 43 GLN H H 43 9.057 9.057 9.100 -0.042 19684 6757 1 20 . 1 1 44 44 THR N N 44 116.345 116.345 117.857 -1.512 19684 6758 1 20 . 1 1 44 44 THR HA H 44 4.149 4.149 4.344 -0.195 19684 6759 1 20 . 1 1 44 44 THR C C 44 174.138 174.138 174.482 -0.344 19684 6760 1 20 . 1 1 44 44 THR CA C 44 64.288 64.288 63.413 0.875 19684 6761 1 20 . 1 1 44 44 THR CB C 44 69.164 69.164 69.153 0.010 19684 6762 1 20 . 1 1 44 44 THR H H 44 8.640 8.640 8.516 0.124 19684 6763 1 20 . 1 1 45 45 SER N N 45 119.635 119.635 121.998 -2.363 19684 6764 1 20 . 1 1 45 45 SER HA H 45 4.670 4.670 4.700 -0.030 19684 6765 1 20 . 1 1 45 45 SER C C 45 174.304 174.304 175.383 -1.079 19684 6766 1 20 . 1 1 45 45 SER CA C 45 57.064 57.064 56.752 0.312 19684 6767 1 20 . 1 1 45 45 SER CB C 45 65.275 65.275 64.392 0.883 19684 6768 1 20 . 1 1 45 45 SER H H 45 7.971 7.971 8.277 -0.306 19684 6769 1 20 . 1 1 46 46 ARG N N 46 120.482 120.482 120.462 0.020 19684 6770 1 20 . 1 1 46 46 ARG HA H 46 4.170 4.170 4.326 -0.156 19684 6771 1 20 . 1 1 46 46 ARG C C 46 176.486 176.486 176.655 -0.169 19684 6772 1 20 . 1 1 46 46 ARG CA C 46 57.675 57.675 57.292 0.383 19684 6773 1 20 . 1 1 46 46 ARG CB C 46 30.019 30.019 30.284 -0.265 19684 6774 1 20 . 1 1 46 46 ARG H H 46 8.491 8.491 8.670 -0.179 19684 6775 1 20 . 1 1 47 47 GLU N N 47 121.489 121.489 122.684 -1.195 19684 6776 1 20 . 1 1 47 47 GLU HA H 47 4.820 4.820 4.514 0.306 19684 6777 1 20 . 1 1 47 47 GLU C C 47 173.926 173.926 174.841 -0.915 19684 6778 1 20 . 1 1 47 47 GLU CA C 47 52.716 52.716 53.933 -1.217 19684 6779 1 20 . 1 1 47 47 GLU CB C 47 30.039 30.039 29.105 0.934 19684 6780 1 20 . 1 1 47 47 GLU H H 47 8.530 8.530 7.820 0.710 19684 6781 1 20 . 1 1 48 48 PRO HA H 48 4.363 4.363 4.421 -0.058 19684 6782 1 20 . 1 1 48 48 PRO C C 48 177.954 177.954 177.298 0.656 19684 6783 1 20 . 1 1 48 48 PRO CA C 48 63.672 63.672 63.717 -0.045 19684 6784 1 20 . 1 1 48 48 PRO CB C 48 31.798 31.798 32.184 -0.386 19684 6785 1 20 . 1 1 49 49 GLY N N 49 110.220 110.220 110.996 -0.776 19684 6786 1 20 . 1 1 49 49 GLY C C 49 174.196 174.196 173.637 0.559 19684 6787 1 20 . 1 1 49 49 GLY CA C 49 44.965 44.965 44.976 -0.011 19684 6788 1 20 . 1 1 49 49 GLY H H 49 8.660 8.660 8.650 0.010 19684 6789 1 20 . 1 1 50 50 TRP N N 50 120.527 120.527 121.135 -0.608 19684 6790 1 20 . 1 1 50 50 TRP HA H 50 5.098 5.098 5.411 -0.313 19684 6791 1 20 . 1 1 50 50 TRP C C 50 175.686 175.686 175.571 0.115 19684 6792 1 20 . 1 1 50 50 TRP CA C 50 56.460 56.460 56.447 0.013 19684 6793 1 20 . 1 1 50 50 TRP CB C 50 31.745 31.745 30.912 0.834 19684 6794 1 20 . 1 1 50 50 TRP H H 50 8.025 8.025 7.660 0.365 19684 6795 1 20 . 1 1 51 51 LEU N N 51 123.575 123.575 121.535 2.040 19684 6796 1 20 . 1 1 51 51 LEU HA H 51 4.966 4.966 5.114 -0.148 19684 6797 1 20 . 1 1 51 51 LEU C C 51 175.162 175.162 176.010 -0.848 19684 6798 1 20 . 1 1 51 51 LEU CA C 51 52.643 52.643 53.392 -0.749 19684 6799 1 20 . 1 1 51 51 LEU CB C 51 44.214 44.214 45.055 -0.841 19684 6800 1 20 . 1 1 51 51 LEU H H 51 9.635 9.635 9.077 0.558 19684 6801 1 20 . 1 1 52 52 GLU N N 52 119.825 119.825 120.417 -0.592 19684 6802 1 20 . 1 1 52 52 GLU HA H 52 5.180 5.180 5.514 -0.334 19684 6803 1 20 . 1 1 52 52 GLU C C 52 175.082 175.082 176.334 -1.252 19684 6804 1 20 . 1 1 52 52 GLU CA C 52 54.693 54.693 54.828 -0.135 19684 6805 1 20 . 1 1 52 52 GLU CB C 52 32.735 32.735 32.549 0.186 19684 6806 1 20 . 1 1 52 52 GLU H H 52 9.144 9.144 8.848 0.296 19684 6807 1 20 . 1 1 53 53 GLY N N 53 106.528 106.528 110.047 -3.519 19684 6808 1 20 . 1 1 53 53 GLY C C 53 170.278 170.278 172.832 -2.554 19684 6809 1 20 . 1 1 53 53 GLY CA C 53 45.500 45.500 45.134 0.366 19684 6810 1 20 . 1 1 53 53 GLY H H 53 8.500 8.500 8.222 0.278 19684 6811 1 20 . 1 1 54 54 THR N N 54 115.540 115.540 117.481 -1.941 19684 6812 1 20 . 1 1 54 54 THR HA H 54 5.334 5.334 4.733 0.601 19684 6813 1 20 . 1 1 54 54 THR C C 54 173.549 173.549 173.132 0.417 19684 6814 1 20 . 1 1 54 54 THR CA C 54 61.186 61.186 62.379 -1.193 19684 6815 1 20 . 1 1 54 54 THR CB C 54 69.935 69.935 70.002 -0.067 19684 6816 1 20 . 1 1 54 54 THR H H 54 9.085 9.085 8.577 0.508 19684 6817 1 20 . 1 1 55 55 LEU N N 55 128.613 128.613 130.146 -1.533 19684 6818 1 20 . 1 1 55 55 LEU HA H 55 4.842 4.842 4.784 0.058 19684 6819 1 20 . 1 1 55 55 LEU C C 55 176.045 176.045 176.147 -0.102 19684 6820 1 20 . 1 1 55 55 LEU CA C 55 53.387 53.387 53.584 -0.197 19684 6821 1 20 . 1 1 55 55 LEU CB C 55 45.579 45.579 43.955 1.624 19684 6822 1 20 . 1 1 55 55 LEU H H 55 9.368 9.368 8.696 0.672 19684 6823 1 20 . 1 1 56 56 ASN N N 56 128.674 128.674 125.670 3.004 19684 6824 1 20 . 1 1 56 56 ASN HA H 56 4.403 4.403 4.405 -0.002 19684 6825 1 20 . 1 1 56 56 ASN C C 56 175.457 175.457 175.194 0.263 19684 6826 1 20 . 1 1 56 56 ASN CA C 56 54.126 54.126 54.092 0.034 19684 6827 1 20 . 1 1 56 56 ASN CB C 56 37.291 37.291 37.465 -0.174 19684 6828 1 20 . 1 1 56 56 ASN H H 56 9.670 9.670 9.383 0.287 19684 6829 1 20 . 1 1 57 57 GLY N N 57 102.683 102.683 103.126 -0.443 19684 6830 1 20 . 1 1 57 57 GLY C C 57 173.175 173.175 173.552 -0.377 19684 6831 1 20 . 1 1 57 57 GLY CA C 57 45.263 45.263 44.818 0.445 19684 6832 1 20 . 1 1 57 57 GLY H H 57 8.441 8.441 8.203 0.238 19684 6833 1 20 . 1 1 58 58 LYS N N 58 122.749 122.749 123.806 -1.057 19684 6834 1 20 . 1 1 58 58 LYS HA H 58 4.621 4.621 4.438 0.183 19684 6835 1 20 . 1 1 58 58 LYS C C 58 173.237 173.237 175.451 -2.214 19684 6836 1 20 . 1 1 58 58 LYS CA C 58 54.962 54.962 55.398 -0.436 19684 6837 1 20 . 1 1 58 58 LYS CB C 58 34.303 34.303 33.205 1.098 19684 6838 1 20 . 1 1 58 58 LYS H H 58 7.847 7.847 7.816 0.031 19684 6839 1 20 . 1 1 59 59 ARG N N 59 127.435 127.435 128.581 -1.146 19684 6840 1 20 . 1 1 59 59 ARG HA H 59 5.417 5.417 5.380 0.037 19684 6841 1 20 . 1 1 59 59 ARG C C 59 176.486 176.486 175.668 0.818 19684 6842 1 20 . 1 1 59 59 ARG CA C 59 54.079 54.079 55.546 -1.467 19684 6843 1 20 . 1 1 59 59 ARG CB C 59 31.815 31.815 32.251 -0.436 19684 6844 1 20 . 1 1 59 59 ARG H H 59 8.741 8.741 8.635 0.106 19684 6845 1 20 . 1 1 60 60 GLY N N 60 112.447 112.447 111.469 0.978 19684 6846 1 20 . 1 1 60 60 GLY C C 60 170.709 170.709 172.526 -1.817 19684 6847 1 20 . 1 1 60 60 GLY CA C 60 45.648 45.648 45.029 0.619 19684 6848 1 20 . 1 1 60 60 GLY H H 60 8.745 8.745 8.131 0.614 19684 6849 1 20 . 1 1 61 61 LEU N N 61 117.631 117.631 121.680 -4.049 19684 6850 1 20 . 1 1 61 61 LEU HA H 61 5.330 5.330 4.647 0.683 19684 6851 1 20 . 1 1 61 61 LEU C C 61 178.461 178.461 176.314 2.147 19684 6852 1 20 . 1 1 61 61 LEU CA C 61 54.784 54.784 55.692 -0.908 19684 6853 1 20 . 1 1 61 61 LEU CB C 61 44.075 44.075 42.475 1.600 19684 6854 1 20 . 1 1 61 61 LEU H H 61 8.527 8.527 8.111 0.416 19684 6855 1 20 . 1 1 62 62 ILE N N 62 121.463 121.463 123.365 -1.902 19684 6856 1 20 . 1 1 62 62 ILE HA H 62 4.899 4.899 4.852 0.047 19684 6857 1 20 . 1 1 62 62 ILE C C 62 172.776 172.776 173.544 -0.768 19684 6858 1 20 . 1 1 62 62 ILE CA C 62 58.089 58.089 58.074 0.015 19684 6859 1 20 . 1 1 62 62 ILE CB C 62 43.821 43.821 41.018 2.803 19684 6860 1 20 . 1 1 62 62 ILE H H 62 9.387 9.387 9.365 0.022 19684 6861 1 20 . 1 1 63 63 PRO HA H 63 3.610 3.610 3.794 -0.184 19684 6862 1 20 . 1 1 63 63 PRO C C 63 179.007 179.007 176.910 2.097 19684 6863 1 20 . 1 1 63 63 PRO CA C 63 62.475 62.475 62.325 0.150 19684 6864 1 20 . 1 1 63 63 PRO CB C 63 30.637 30.637 30.964 -0.327 19684 6865 1 20 . 1 1 64 64 GLN N N 64 124.254 124.254 126.986 -2.732 19684 6866 1 20 . 1 1 64 64 GLN HA H 64 3.624 3.624 3.809 -0.185 19684 6867 1 20 . 1 1 64 64 GLN C C 64 176.210 176.210 177.742 -1.532 19684 6868 1 20 . 1 1 64 64 GLN CA C 64 58.984 58.984 59.338 -0.354 19684 6869 1 20 . 1 1 64 64 GLN CB C 64 28.212 28.212 28.517 -0.305 19684 6870 1 20 . 1 1 64 64 GLN H H 64 8.045 8.045 8.008 0.037 19684 6871 1 20 . 1 1 65 65 ASN N N 65 111.289 111.289 117.045 -5.756 19684 6872 1 20 . 1 1 65 65 ASN HA H 65 4.722 4.722 4.611 0.111 19684 6873 1 20 . 1 1 65 65 ASN C C 65 175.720 175.720 176.797 -1.077 19684 6874 1 20 . 1 1 65 65 ASN CA C 65 53.734 53.734 55.406 -1.672 19684 6875 1 20 . 1 1 65 65 ASN CB C 65 36.735 36.735 38.102 -1.367 19684 6876 1 20 . 1 1 65 65 ASN H H 65 8.543 8.543 8.483 0.060 19684 6877 1 20 . 1 1 66 66 TYR N N 66 118.333 118.333 116.140 2.193 19684 6878 1 20 . 1 1 66 66 TYR HA H 66 4.906 4.906 4.933 -0.027 19684 6879 1 20 . 1 1 66 66 TYR C C 66 175.641 175.641 175.180 0.461 19684 6880 1 20 . 1 1 66 66 TYR CA C 66 57.121 57.121 56.487 0.634 19684 6881 1 20 . 1 1 66 66 TYR CB C 66 37.682 37.682 38.492 -0.810 19684 6882 1 20 . 1 1 66 66 TYR H H 66 7.919 7.919 7.700 0.219 19684 6883 1 20 . 1 1 67 67 VAL N N 67 108.796 108.796 109.928 -1.132 19684 6884 1 20 . 1 1 67 67 VAL HA H 67 5.441 5.441 4.931 0.510 19684 6885 1 20 . 1 1 67 67 VAL C C 67 173.714 173.714 174.759 -1.045 19684 6886 1 20 . 1 1 67 67 VAL CA C 67 57.990 57.990 58.718 -0.728 19684 6887 1 20 . 1 1 67 67 VAL CB C 67 35.467 35.467 35.484 -0.017 19684 6888 1 20 . 1 1 67 67 VAL H H 67 7.341 7.341 7.271 0.070 19684 6889 1 20 . 1 1 68 68 LYS N N 68 120.974 120.974 121.747 -0.773 19684 6890 1 20 . 1 1 68 68 LYS HA H 68 4.692 4.692 4.614 0.078 19684 6891 1 20 . 1 1 68 68 LYS C C 68 175.962 175.962 175.595 0.367 19684 6892 1 20 . 1 1 68 68 LYS CA C 68 54.108 54.108 54.681 -0.573 19684 6893 1 20 . 1 1 68 68 LYS CB C 68 35.051 35.051 35.281 -0.230 19684 6894 1 20 . 1 1 68 68 LYS H H 68 8.907 8.907 8.263 0.644 19684 6895 1 20 . 1 1 69 69 LEU N N 69 126.343 126.343 127.389 -1.046 19684 6896 1 20 . 1 1 69 69 LEU HA H 69 4.392 4.392 4.395 -0.003 19684 6897 1 20 . 1 1 69 69 LEU C C 69 176.293 176.293 177.179 -0.886 19684 6898 1 20 . 1 1 69 69 LEU CA C 69 55.627 55.627 55.718 -0.091 19684 6899 1 20 . 1 1 69 69 LEU CB C 69 41.278 41.278 41.226 0.052 19684 6900 1 20 . 1 1 69 69 LEU H H 69 8.791 8.791 8.693 0.098 19684 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 56 3.067 1.244 2.829 19684 2 1 1 "Average Difference" HA 67 0.357 -0.006 0.359 19684 3 1 1 "Average Difference" C 60 0.969 0.258 0.942 19684 4 1 1 "Average Difference" CA 62 0.877 0.310 0.827 19684 5 1 1 "Average Difference" CB 56 1.054 -0.245 1.034 19684 6 1 1 "Average Difference" HN 56 0.468 -0.191 0.431 19684 7 1 2 "Average Difference" N 56 2.983 1.204 2.754 19684 8 1 2 "Average Difference" HA 67 0.327 -0.019 0.329 19684 9 1 2 "Average Difference" C 60 0.959 0.223 0.940 19684 10 1 2 "Average Difference" CA 62 0.886 0.227 0.863 19684 11 1 2 "Average Difference" CB 56 1.039 -0.297 1.005 19684 12 1 2 "Average Difference" HN 56 0.431 -0.143 0.411 19684 13 1 3 "Average Difference" N 56 3.067 0.613 3.032 19684 14 1 3 "Average Difference" HA 67 0.343 -0.026 0.345 19684 15 1 3 "Average Difference" C 60 1.019 0.262 0.993 19684 16 1 3 "Average Difference" CA 62 1.117 0.413 1.046 19684 17 1 3 "Average Difference" CB 56 1.184 -0.283 1.161 19684 18 1 3 "Average Difference" HN 56 0.432 -0.126 0.417 19684 19 1 4 "Average Difference" N 56 3.019 0.774 2.945 19684 20 1 4 "Average Difference" HA 67 0.325 0.043 0.324 19684 21 1 4 "Average Difference" C 60 0.989 0.236 0.969 19684 22 1 4 "Average Difference" CA 62 0.883 0.222 0.861 19684 23 1 4 "Average Difference" CB 56 0.996 -0.121 0.998 19684 24 1 4 "Average Difference" HN 56 0.464 -0.172 0.435 19684 25 1 5 "Average Difference" N 56 2.692 1.130 2.466 19684 26 1 5 "Average Difference" HA 67 0.328 -0.025 0.330 19684 27 1 5 "Average Difference" C 60 0.910 0.204 0.894 19684 28 1 5 "Average Difference" CA 62 0.902 0.291 0.861 19684 29 1 5 "Average Difference" CB 56 0.935 -0.333 0.882 19684 30 1 5 "Average Difference" HN 56 0.438 -0.123 0.424 19684 31 1 6 "Average Difference" N 56 3.148 1.190 2.941 19684 32 1 6 "Average Difference" HA 67 0.340 0.002 0.343 19684 33 1 6 "Average Difference" C 60 0.937 0.215 0.919 19684 34 1 6 "Average Difference" CA 62 0.955 0.298 0.915 19684 35 1 6 "Average Difference" CB 56 1.087 -0.149 1.086 19684 36 1 6 "Average Difference" HN 56 0.372 -0.126 0.353 19684 37 1 7 "Average Difference" N 56 2.569 0.953 2.407 19684 38 1 7 "Average Difference" HA 67 0.337 0.011 0.339 19684 39 1 7 "Average Difference" C 60 0.992 0.145 0.989 19684 40 1 7 "Average Difference" CA 62 0.924 0.208 0.908 19684 41 1 7 "Average Difference" CB 56 1.113 -0.064 1.121 19684 42 1 7 "Average Difference" HN 56 0.419 -0.144 0.397 19684 43 1 8 "Average Difference" N 56 3.198 0.667 3.155 19684 44 1 8 "Average Difference" HA 67 0.319 -0.024 0.321 19684 45 1 8 "Average Difference" C 60 1.011 0.166 1.006 19684 46 1 8 "Average Difference" CA 62 0.976 0.199 0.963 19684 47 1 8 "Average Difference" CB 56 1.175 -0.147 1.177 19684 48 1 8 "Average Difference" HN 56 0.409 -0.191 0.365 19684 49 1 9 "Average Difference" N 56 2.660 0.878 2.534 19684 50 1 9 "Average Difference" HA 67 0.325 -0.028 0.326 19684 51 1 9 "Average Difference" C 60 0.939 0.147 0.935 19684 52 1 9 "Average Difference" CA 62 0.845 0.298 0.797 19684 53 1 9 "Average Difference" CB 56 1.009 -0.214 0.995 19684 54 1 9 "Average Difference" HN 56 0.416 -0.132 0.398 19684 55 1 10 "Average Difference" N 56 2.730 0.749 2.649 19684 56 1 10 "Average Difference" HA 67 0.335 -0.020 0.337 19684 57 1 10 "Average Difference" C 60 1.005 0.152 1.002 19684 58 1 10 "Average Difference" CA 62 0.985 0.167 0.979 19684 59 1 10 "Average Difference" CB 56 1.098 -0.279 1.072 19684 60 1 10 "Average Difference" HN 56 0.382 -0.153 0.353 19684 61 1 11 "Average Difference" N 56 3.145 0.564 3.122 19684 62 1 11 "Average Difference" HA 67 0.331 -0.005 0.333 19684 63 1 11 "Average Difference" C 60 0.995 0.217 0.979 19684 64 1 11 "Average Difference" CA 62 0.926 0.194 0.913 19684 65 1 11 "Average Difference" CB 56 1.025 -0.185 1.017 19684 66 1 11 "Average Difference" HN 56 0.377 -0.164 0.342 19684 67 1 12 "Average Difference" N 56 2.790 0.674 2.731 19684 68 1 12 "Average Difference" HA 67 0.319 0.020 0.321 19684 69 1 12 "Average Difference" C 60 0.958 0.124 0.958 19684 70 1 12 "Average Difference" CA 62 0.871 0.251 0.840 19684 71 1 12 "Average Difference" CB 56 1.115 -0.165 1.113 19684 72 1 12 "Average Difference" HN 56 0.458 -0.141 0.439 19684 73 1 13 "Average Difference" N 56 2.809 1.260 2.533 19684 74 1 13 "Average Difference" HA 67 0.336 -0.019 0.338 19684 75 1 13 "Average Difference" C 60 0.972 0.213 0.956 19684 76 1 13 "Average Difference" CA 62 0.997 0.359 0.938 19684 77 1 13 "Average Difference" CB 56 1.200 -0.302 1.172 19684 78 1 13 "Average Difference" HN 56 0.383 -0.146 0.357 19684 79 1 14 "Average Difference" N 56 2.773 1.209 2.518 19684 80 1 14 "Average Difference" HA 67 0.357 -0.022 0.359 19684 81 1 14 "Average Difference" C 60 0.979 0.257 0.953 19684 82 1 14 "Average Difference" CA 62 1.022 0.406 0.945 19684 83 1 14 "Average Difference" CB 56 1.079 -0.320 1.040 19684 84 1 14 "Average Difference" HN 56 0.442 -0.138 0.423 19684 85 1 15 "Average Difference" N 56 2.651 0.878 2.524 19684 86 1 15 "Average Difference" HA 67 0.341 -0.014 0.343 19684 87 1 15 "Average Difference" C 60 0.979 0.135 0.977 19684 88 1 15 "Average Difference" CA 62 0.994 0.258 0.968 19684 89 1 15 "Average Difference" CB 56 1.234 -0.273 1.215 19684 90 1 15 "Average Difference" HN 56 0.473 -0.176 0.443 19684 91 1 16 "Average Difference" N 56 2.789 0.918 2.657 19684 92 1 16 "Average Difference" HA 67 0.329 0.005 0.331 19684 93 1 16 "Average Difference" C 60 0.959 0.203 0.945 19684 94 1 16 "Average Difference" CA 62 1.006 0.347 0.952 19684 95 1 16 "Average Difference" CB 56 1.036 -0.186 1.028 19684 96 1 16 "Average Difference" HN 56 0.446 -0.131 0.430 19684 97 1 17 "Average Difference" N 56 2.639 0.410 2.631 19684 98 1 17 "Average Difference" HA 67 0.328 0.002 0.331 19684 99 1 17 "Average Difference" C 60 1.017 0.164 1.012 19684 100 1 17 "Average Difference" CA 62 0.909 0.382 0.832 19684 101 1 17 "Average Difference" CB 56 1.000 -0.121 1.002 19684 102 1 17 "Average Difference" HN 56 0.432 -0.157 0.406 19684 103 1 18 "Average Difference" N 56 2.909 0.780 2.828 19684 104 1 18 "Average Difference" HA 67 0.340 -0.022 0.342 19684 105 1 18 "Average Difference" C 60 1.053 0.136 1.053 19684 106 1 18 "Average Difference" CA 62 1.020 0.338 0.970 19684 107 1 18 "Average Difference" CB 56 1.088 -0.207 1.078 19684 108 1 18 "Average Difference" HN 56 0.428 -0.141 0.408 19684 109 1 19 "Average Difference" N 56 2.648 0.963 2.489 19684 110 1 19 "Average Difference" HA 67 0.318 0.004 0.321 19684 111 1 19 "Average Difference" C 60 0.993 0.193 0.983 19684 112 1 19 "Average Difference" CA 62 0.851 0.286 0.809 19684 113 1 19 "Average Difference" CB 56 1.227 -0.244 1.214 19684 114 1 19 "Average Difference" HN 56 0.422 -0.167 0.391 19684 115 1 20 "Average Difference" N 56 2.595 0.818 2.485 19684 116 1 20 "Average Difference" HA 67 0.321 -0.016 0.323 19684 117 1 20 "Average Difference" C 60 1.021 0.126 1.022 19684 118 1 20 "Average Difference" CA 62 0.924 0.294 0.883 19684 119 1 20 "Average Difference" CB 56 1.004 -0.201 0.992 19684 120 1 20 "Average Difference" HN 56 0.387 -0.112 0.374 19684 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.Model_type average _Entity_delta_chem_shifts.Entry_ID 19684 _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.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_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.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 GLY N N 2 113.935 113.935 110.505 3.430 19684 2 1 . 1 1 2 2 GLY CA C 2 43.362 43.362 45.138 -1.776 19684 3 1 . 1 1 2 2 GLY H H 2 8.251 8.251 8.445 -0.194 19684 4 1 . 1 1 9 9 SER HA H 9 4.375 4.375 4.420 -0.045 19684 5 1 . 1 1 9 9 SER CA C 9 58.422 58.422 58.462 -0.040 19684 6 1 . 1 1 9 9 SER CB C 9 63.552 63.552 63.583 -0.031 19684 7 1 . 1 1 10 10 HIS HA H 10 4.622 4.622 4.502 0.120 19684 8 1 . 1 1 10 10 HIS C C 10 174.853 174.853 174.118 0.735 19684 9 1 . 1 1 10 10 HIS CA C 10 55.967 55.967 55.984 -0.017 19684 10 1 . 1 1 10 10 HIS CB C 10 30.242 30.242 29.567 0.675 19684 11 1 . 1 1 11 11 MET N N 11 121.242 121.242 121.342 -0.100 19684 12 1 . 1 1 11 11 MET HA H 11 4.432 4.432 4.393 0.039 19684 13 1 . 1 1 11 11 MET C C 11 175.804 175.804 175.583 0.221 19684 14 1 . 1 1 11 11 MET CA C 11 55.487 55.487 55.077 0.410 19684 15 1 . 1 1 11 11 MET CB C 11 32.712 32.712 33.220 -0.508 19684 16 1 . 1 1 11 11 MET H H 11 8.210 8.210 8.134 0.076 19684 17 1 . 1 1 12 12 ILE N N 12 122.708 122.708 121.626 1.082 19684 18 1 . 1 1 12 12 ILE HA H 12 4.173 4.173 4.085 0.088 19684 19 1 . 1 1 12 12 ILE C C 12 175.916 175.916 175.301 0.615 19684 20 1 . 1 1 12 12 ILE CA C 12 60.878 60.878 61.345 -0.467 19684 21 1 . 1 1 12 12 ILE CB C 12 38.534 38.534 36.946 1.588 19684 22 1 . 1 1 12 12 ILE H H 12 8.236 8.236 8.273 -0.037 19684 23 1 . 1 1 13 13 ARG N N 13 125.079 125.079 124.628 0.451 19684 24 1 . 1 1 13 13 ARG HA H 13 4.472 4.472 4.352 0.120 19684 25 1 . 1 1 13 13 ARG C C 13 175.573 175.573 175.660 -0.087 19684 26 1 . 1 1 13 13 ARG CA C 13 55.645 55.645 56.085 -0.440 19684 27 1 . 1 1 13 13 ARG CB C 13 31.256 31.256 31.094 0.162 19684 28 1 . 1 1 13 13 ARG H H 13 8.386 8.386 8.143 0.243 19684 29 1 . 1 1 14 14 SER N N 14 117.250 117.250 115.698 1.552 19684 30 1 . 1 1 14 14 SER HA H 14 4.441 4.441 4.358 0.083 19684 31 1 . 1 1 14 14 SER C C 14 174.090 174.090 173.919 0.171 19684 32 1 . 1 1 14 14 SER CA C 14 58.062 58.062 58.770 -0.708 19684 33 1 . 1 1 14 14 SER CB C 14 63.638 63.638 63.176 0.462 19684 34 1 . 1 1 14 14 SER H H 14 8.386 8.386 8.449 -0.063 19684 35 1 . 1 1 15 15 ARG N N 15 123.266 123.266 122.657 0.609 19684 36 1 . 1 1 15 15 ARG HA H 15 4.651 4.651 4.423 0.228 19684 37 1 . 1 1 15 15 ARG C C 15 174.913 174.913 175.519 -0.606 19684 38 1 . 1 1 15 15 ARG CA C 15 54.960 54.960 55.356 -0.396 19684 39 1 . 1 1 15 15 ARG CB C 15 31.574 31.574 31.838 -0.264 19684 40 1 . 1 1 15 15 ARG H H 15 8.721 8.721 8.221 0.500 19684 41 1 . 1 1 16 16 LYS N N 16 120.105 120.105 120.647 -0.542 19684 42 1 . 1 1 16 16 LYS HA H 16 5.315 5.315 5.381 -0.066 19684 43 1 . 1 1 16 16 LYS C C 16 175.755 175.755 175.674 0.081 19684 44 1 . 1 1 16 16 LYS CA C 16 54.926 54.926 54.870 0.056 19684 45 1 . 1 1 16 16 LYS CB C 16 36.741 36.741 36.078 0.663 19684 46 1 . 1 1 16 16 LYS H H 16 8.406 8.406 8.373 0.033 19684 47 1 . 1 1 17 17 ALA N N 17 118.564 118.564 121.730 -3.166 19684 48 1 . 1 1 17 17 ALA HA H 17 5.256 5.256 5.090 0.166 19684 49 1 . 1 1 17 17 ALA C C 17 173.884 173.884 175.129 -1.245 19684 50 1 . 1 1 17 17 ALA CA C 17 50.673 50.673 50.977 -0.304 19684 51 1 . 1 1 17 17 ALA CB C 17 23.580 23.580 23.336 0.244 19684 52 1 . 1 1 17 17 ALA H H 17 8.310 8.310 8.491 -0.181 19684 53 1 . 1 1 18 18 ARG N N 18 119.872 119.872 121.442 -1.571 19684 54 1 . 1 1 18 18 ARG HA H 18 5.755 5.755 5.059 0.696 19684 55 1 . 1 1 18 18 ARG C C 18 176.196 176.196 175.188 1.008 19684 56 1 . 1 1 18 18 ARG CA C 18 53.023 53.023 54.430 -1.407 19684 57 1 . 1 1 18 18 ARG CB C 18 34.603 34.603 33.952 0.651 19684 58 1 . 1 1 18 18 ARG H H 18 9.008 9.008 8.615 0.393 19684 59 1 . 1 1 19 19 ALA N N 19 127.577 127.577 130.578 -3.001 19684 60 1 . 1 1 19 19 ALA HA H 19 4.828 4.828 4.607 0.221 19684 61 1 . 1 1 19 19 ALA C C 19 178.887 178.887 177.502 1.385 19684 62 1 . 1 1 19 19 ALA CA C 19 53.215 53.215 52.538 0.677 19684 63 1 . 1 1 19 19 ALA CB C 19 21.164 21.164 19.148 2.016 19684 64 1 . 1 1 19 19 ALA H H 19 9.456 9.456 8.717 0.739 19684 65 1 . 1 1 20 20 VAL N N 20 120.989 120.989 121.057 -0.068 19684 66 1 . 1 1 20 20 VAL HA H 20 4.233 4.233 4.235 -0.002 19684 67 1 . 1 1 20 20 VAL C C 20 173.478 173.478 175.198 -1.720 19684 68 1 . 1 1 20 20 VAL CA C 20 61.659 61.659 62.773 -1.114 19684 69 1 . 1 1 20 20 VAL CB C 20 32.406 32.406 32.213 0.193 19684 70 1 . 1 1 20 20 VAL H H 20 9.261 9.261 8.409 0.852 19684 71 1 . 1 1 21 21 TYR N N 21 120.793 120.793 120.015 0.778 19684 72 1 . 1 1 21 21 TYR HA H 21 4.917 4.917 4.905 0.012 19684 73 1 . 1 1 21 21 TYR C C 21 171.768 171.768 173.614 -1.846 19684 74 1 . 1 1 21 21 TYR CA C 21 54.783 54.783 55.085 -0.302 19684 75 1 . 1 1 21 21 TYR CB C 21 41.028 41.028 39.461 1.567 19684 76 1 . 1 1 21 21 TYR H H 21 7.740 7.740 8.014 -0.274 19684 77 1 . 1 1 22 22 PRO HA H 22 4.569 4.569 4.677 -0.108 19684 78 1 . 1 1 22 22 PRO C C 22 175.447 175.447 175.281 0.166 19684 79 1 . 1 1 22 22 PRO CA C 22 61.784 61.784 62.290 -0.506 19684 80 1 . 1 1 22 22 PRO CB C 22 32.301 32.301 32.902 -0.601 19684 81 1 . 1 1 23 23 CYS N N 23 117.584 117.584 120.063 -2.479 19684 82 1 . 1 1 23 23 CYS HA H 23 4.369 4.369 4.551 -0.182 19684 83 1 . 1 1 23 23 CYS C C 23 173.409 173.409 173.283 0.126 19684 84 1 . 1 1 23 23 CYS CA C 23 58.325 58.325 56.974 1.351 19684 85 1 . 1 1 23 23 CYS CB C 23 30.008 30.008 29.636 0.372 19684 86 1 . 1 1 23 23 CYS H H 23 8.265 8.265 8.241 0.024 19684 87 1 . 1 1 24 24 GLU N N 24 131.184 131.184 125.468 5.716 19684 88 1 . 1 1 24 24 GLU HA H 24 4.539 4.539 4.418 0.121 19684 89 1 . 1 1 24 24 GLU C C 24 174.814 174.814 175.078 -0.264 19684 90 1 . 1 1 24 24 GLU CA C 24 54.416 54.416 55.215 -0.799 19684 91 1 . 1 1 24 24 GLU CB C 24 30.172 30.172 30.793 -0.621 19684 92 1 . 1 1 24 24 GLU H H 24 8.594 8.594 8.579 0.015 19684 93 1 . 1 1 25 25 ALA N N 25 128.937 128.937 127.038 1.899 19684 94 1 . 1 1 25 25 ALA HA H 25 4.180 4.180 4.417 -0.237 19684 95 1 . 1 1 25 25 ALA C C 25 178.154 178.154 177.652 0.502 19684 96 1 . 1 1 25 25 ALA CA C 25 52.809 52.809 52.077 0.732 19684 97 1 . 1 1 25 25 ALA CB C 25 20.779 20.779 19.417 1.362 19684 98 1 . 1 1 25 25 ALA H H 25 8.555 8.555 8.307 0.248 19684 99 1 . 1 1 26 26 GLU N N 26 119.582 119.582 122.831 -3.249 19684 100 1 . 1 1 26 26 GLU HA H 26 4.268 4.268 4.203 0.065 19684 101 1 . 1 1 26 26 GLU C C 26 175.916 175.916 176.626 -0.710 19684 102 1 . 1 1 26 26 GLU CA C 26 56.345 56.345 57.303 -0.958 19684 103 1 . 1 1 26 26 GLU CB C 26 31.091 31.091 30.405 0.686 19684 104 1 . 1 1 26 26 GLU H H 26 8.613 8.613 8.847 -0.234 19684 105 1 . 1 1 27 27 HIS N N 27 115.533 115.533 118.383 -2.850 19684 106 1 . 1 1 27 27 HIS C C 27 175.986 175.986 175.395 0.591 19684 107 1 . 1 1 27 27 HIS CA C 27 54.711 54.711 55.419 -0.708 19684 108 1 . 1 1 27 27 HIS CB C 27 32.077 32.077 32.069 0.008 19684 109 1 . 1 1 27 27 HIS H H 27 7.418 7.418 8.078 -0.660 19684 110 1 . 1 1 28 28 SER HA H 28 4.255 4.255 4.294 -0.039 19684 111 1 . 1 1 28 28 SER C C 28 174.619 174.619 175.304 -0.685 19684 112 1 . 1 1 28 28 SER CA C 28 60.985 60.985 60.353 0.632 19684 113 1 . 1 1 28 28 SER CB C 28 62.890 62.890 63.223 -0.333 19684 114 1 . 1 1 29 29 SER N N 29 114.287 114.287 116.103 -1.816 19684 115 1 . 1 1 29 29 SER HA H 29 4.405 4.405 4.255 0.150 19684 116 1 . 1 1 29 29 SER C C 29 174.305 174.305 174.695 -0.390 19684 117 1 . 1 1 29 29 SER CA C 29 58.564 58.564 60.379 -1.815 19684 118 1 . 1 1 29 29 SER CB C 29 62.953 62.953 63.345 -0.392 19684 119 1 . 1 1 29 29 SER H H 29 8.207 8.207 8.347 -0.140 19684 120 1 . 1 1 30 30 GLU N N 30 122.312 122.312 120.859 1.453 19684 121 1 . 1 1 30 30 GLU HA H 30 4.690 4.690 4.561 0.129 19684 122 1 . 1 1 30 30 GLU C C 30 175.373 175.373 176.239 -0.866 19684 123 1 . 1 1 30 30 GLU CA C 30 54.894 54.894 56.417 -1.523 19684 124 1 . 1 1 30 30 GLU CB C 30 31.495 31.495 30.488 1.007 19684 125 1 . 1 1 30 30 GLU H H 30 7.798 7.798 7.696 0.102 19684 126 1 . 1 1 31 31 LEU N N 31 118.829 118.829 123.829 -5.000 19684 127 1 . 1 1 31 31 LEU HA H 31 4.686 4.686 4.728 -0.042 19684 128 1 . 1 1 31 31 LEU C C 31 177.013 177.013 176.395 0.618 19684 129 1 . 1 1 31 31 LEU CA C 31 54.627 54.627 54.318 0.309 19684 130 1 . 1 1 31 31 LEU CB C 31 43.640 43.640 43.709 -0.069 19684 131 1 . 1 1 31 31 LEU H H 31 8.084 8.084 8.681 -0.597 19684 132 1 . 1 1 32 32 SER N N 32 115.422 115.422 117.760 -2.338 19684 133 1 . 1 1 32 32 SER HA H 32 4.863 4.863 5.002 -0.139 19684 134 1 . 1 1 32 32 SER C C 32 173.966 173.966 174.143 -0.177 19684 135 1 . 1 1 32 32 SER CA C 32 57.745 57.745 57.661 0.084 19684 136 1 . 1 1 32 32 SER CB C 32 64.735 64.735 64.264 0.471 19684 137 1 . 1 1 32 32 SER H H 32 8.054 8.054 8.560 -0.506 19684 138 1 . 1 1 33 33 PHE N N 33 116.920 116.920 120.548 -3.628 19684 139 1 . 1 1 33 33 PHE HA H 33 4.889 4.889 4.993 -0.104 19684 140 1 . 1 1 33 33 PHE C C 33 173.660 173.660 173.279 0.381 19684 141 1 . 1 1 33 33 PHE CA C 33 56.261 56.261 56.923 -0.662 19684 142 1 . 1 1 33 33 PHE CB C 33 39.272 39.272 40.954 -1.682 19684 143 1 . 1 1 33 33 PHE H H 33 8.697 8.697 8.625 0.072 19684 144 1 . 1 1 34 34 GLU N N 34 119.852 119.852 118.813 1.039 19684 145 1 . 1 1 34 34 GLU HA H 34 4.622 4.622 4.824 -0.202 19684 146 1 . 1 1 34 34 GLU C C 34 176.044 176.044 175.651 0.393 19684 147 1 . 1 1 34 34 GLU CA C 34 53.759 53.759 54.263 -0.504 19684 148 1 . 1 1 34 34 GLU CB C 34 31.878 31.878 33.002 -1.124 19684 149 1 . 1 1 34 34 GLU H H 34 8.616 8.616 8.786 -0.170 19684 150 1 . 1 1 35 35 ILE N N 35 118.386 118.386 120.818 -2.432 19684 151 1 . 1 1 35 35 ILE HA H 35 3.173 3.173 3.886 -0.713 19684 152 1 . 1 1 35 35 ILE C C 35 177.205 177.205 177.360 -0.155 19684 153 1 . 1 1 35 35 ILE CA C 35 64.926 64.926 63.235 1.691 19684 154 1 . 1 1 35 35 ILE CB C 35 38.013 38.013 36.909 1.104 19684 155 1 . 1 1 35 35 ILE H H 35 8.428 8.428 8.629 -0.201 19684 156 1 . 1 1 36 36 GLY N N 36 114.528 114.528 115.690 -1.162 19684 157 1 . 1 1 36 36 GLY C C 36 173.669 173.669 173.944 -0.275 19684 158 1 . 1 1 36 36 GLY CA C 36 44.601 44.601 44.673 -0.072 19684 159 1 . 1 1 36 36 GLY H H 36 8.568 8.568 8.756 -0.188 19684 160 1 . 1 1 37 37 ALA N N 37 123.910 123.910 125.450 -1.540 19684 161 1 . 1 1 37 37 ALA HA H 37 3.975 3.975 4.135 -0.160 19684 162 1 . 1 1 37 37 ALA C C 37 175.106 175.106 176.432 -1.326 19684 163 1 . 1 1 37 37 ALA CA C 37 53.061 53.061 52.144 0.917 19684 164 1 . 1 1 37 37 ALA CB C 37 19.337 19.337 18.796 0.541 19684 165 1 . 1 1 37 37 ALA H H 37 7.564 7.564 7.647 -0.083 19684 166 1 . 1 1 38 38 ILE N N 38 120.298 120.298 124.254 -3.956 19684 167 1 . 1 1 38 38 ILE HA H 38 4.867 4.867 4.588 0.279 19684 168 1 . 1 1 38 38 ILE C C 38 174.910 174.910 175.235 -0.325 19684 169 1 . 1 1 38 38 ILE CA C 38 58.050 58.050 59.135 -1.085 19684 170 1 . 1 1 38 38 ILE CB C 38 38.080 38.080 37.416 0.664 19684 171 1 . 1 1 38 38 ILE H H 38 7.843 7.843 7.878 -0.035 19684 172 1 . 1 1 39 39 PHE N N 39 124.481 124.481 126.363 -1.882 19684 173 1 . 1 1 39 39 PHE HA H 39 4.889 4.889 5.192 -0.303 19684 174 1 . 1 1 39 39 PHE C C 39 175.106 175.106 175.467 -0.361 19684 175 1 . 1 1 39 39 PHE CA C 39 55.542 55.542 56.027 -0.485 19684 176 1 . 1 1 39 39 PHE CB C 39 42.173 42.173 41.886 0.287 19684 177 1 . 1 1 39 39 PHE H H 39 8.884 8.884 8.631 0.253 19684 178 1 . 1 1 40 40 GLU N N 40 117.747 117.747 120.376 -2.629 19684 179 1 . 1 1 40 40 GLU HA H 40 4.788 4.788 4.804 -0.016 19684 180 1 . 1 1 40 40 GLU C C 40 175.797 175.797 176.384 -0.587 19684 181 1 . 1 1 40 40 GLU CA C 40 53.945 53.945 55.048 -1.103 19684 182 1 . 1 1 40 40 GLU CB C 40 32.928 32.928 32.655 0.273 19684 183 1 . 1 1 40 40 GLU H H 40 9.047 9.047 8.567 0.480 19684 184 1 . 1 1 41 41 ASP N N 41 120.461 120.461 120.443 0.018 19684 185 1 . 1 1 41 41 ASP HA H 41 4.331 4.331 4.303 0.028 19684 186 1 . 1 1 41 41 ASP C C 41 175.720 175.720 175.253 0.467 19684 187 1 . 1 1 41 41 ASP CA C 41 54.842 54.842 55.287 -0.445 19684 188 1 . 1 1 41 41 ASP CB C 41 39.241 39.241 40.081 -0.840 19684 189 1 . 1 1 41 41 ASP H H 41 8.875 8.875 8.544 0.331 19684 190 1 . 1 1 42 42 VAL N N 42 120.471 120.471 119.637 0.834 19684 191 1 . 1 1 42 42 VAL HA H 42 4.788 4.788 4.236 0.552 19684 192 1 . 1 1 42 42 VAL C C 42 176.652 176.652 175.787 0.865 19684 193 1 . 1 1 42 42 VAL CA C 42 62.583 62.583 63.455 -0.872 19684 194 1 . 1 1 42 42 VAL CB C 42 31.408 31.408 31.568 -0.160 19684 195 1 . 1 1 42 42 VAL H H 42 8.932 8.932 7.842 1.090 19684 196 1 . 1 1 43 43 GLN N N 43 124.450 124.450 126.709 -2.259 19684 197 1 . 1 1 43 43 GLN HA H 43 4.859 4.859 4.753 0.106 19684 198 1 . 1 1 43 43 GLN C C 43 174.928 174.928 175.092 -0.164 19684 199 1 . 1 1 43 43 GLN CA C 43 53.436 53.436 53.718 -0.282 19684 200 1 . 1 1 43 43 GLN CB C 43 33.482 33.482 32.697 0.785 19684 201 1 . 1 1 43 43 GLN H H 43 9.057 9.057 8.861 0.197 19684 202 1 . 1 1 44 44 THR N N 44 116.345 116.345 116.950 -0.605 19684 203 1 . 1 1 44 44 THR HA H 44 4.149 4.149 4.417 -0.268 19684 204 1 . 1 1 44 44 THR C C 44 174.138 174.138 174.436 -0.298 19684 205 1 . 1 1 44 44 THR CA C 44 64.288 64.288 62.729 1.559 19684 206 1 . 1 1 44 44 THR CB C 44 69.164 69.164 69.283 -0.119 19684 207 1 . 1 1 44 44 THR H H 44 8.640 8.640 8.459 0.181 19684 208 1 . 1 1 45 45 SER N N 45 119.635 119.635 121.005 -1.370 19684 209 1 . 1 1 45 45 SER HA H 45 4.670 4.670 4.653 0.017 19684 210 1 . 1 1 45 45 SER C C 45 174.304 174.304 175.572 -1.268 19684 211 1 . 1 1 45 45 SER CA C 45 57.064 57.064 57.298 -0.234 19684 212 1 . 1 1 45 45 SER CB C 45 65.275 65.275 64.530 0.745 19684 213 1 . 1 1 45 45 SER H H 45 7.971 7.971 8.305 -0.334 19684 214 1 . 1 1 46 46 ARG N N 46 120.482 120.482 120.775 -0.293 19684 215 1 . 1 1 46 46 ARG HA H 46 4.170 4.170 4.288 -0.118 19684 216 1 . 1 1 46 46 ARG C C 46 176.486 176.486 176.482 0.004 19684 217 1 . 1 1 46 46 ARG CA C 46 57.675 57.675 57.352 0.323 19684 218 1 . 1 1 46 46 ARG CB C 46 30.019 30.019 30.245 -0.226 19684 219 1 . 1 1 46 46 ARG H H 46 8.491 8.491 8.623 -0.132 19684 220 1 . 1 1 47 47 GLU N N 47 121.489 121.489 121.498 -0.009 19684 221 1 . 1 1 47 47 GLU HA H 47 4.820 4.820 4.586 0.234 19684 222 1 . 1 1 47 47 GLU C C 47 173.926 173.926 174.767 -0.841 19684 223 1 . 1 1 47 47 GLU CA C 47 52.716 52.716 53.766 -1.050 19684 224 1 . 1 1 47 47 GLU CB C 47 30.039 30.039 29.314 0.725 19684 225 1 . 1 1 47 47 GLU H H 47 8.530 8.530 7.827 0.703 19684 226 1 . 1 1 48 48 PRO HA H 48 4.363 4.363 4.378 -0.015 19684 227 1 . 1 1 48 48 PRO C C 48 177.954 177.954 177.048 0.906 19684 228 1 . 1 1 48 48 PRO CA C 48 63.672 63.672 63.856 -0.184 19684 229 1 . 1 1 48 48 PRO CB C 48 31.798 31.798 31.696 0.102 19684 230 1 . 1 1 49 49 GLY N N 49 110.220 110.220 110.632 -0.412 19684 231 1 . 1 1 49 49 GLY C C 49 174.196 174.196 173.618 0.578 19684 232 1 . 1 1 49 49 GLY CA C 49 44.965 44.965 44.855 0.110 19684 233 1 . 1 1 49 49 GLY H H 49 8.660 8.660 8.527 0.133 19684 234 1 . 1 1 50 50 TRP N N 50 120.527 120.527 120.846 -0.319 19684 235 1 . 1 1 50 50 TRP HA H 50 5.098 5.098 5.390 -0.292 19684 236 1 . 1 1 50 50 TRP C C 50 175.686 175.686 175.496 0.190 19684 237 1 . 1 1 50 50 TRP CA C 50 56.460 56.460 56.398 0.062 19684 238 1 . 1 1 50 50 TRP CB C 50 31.745 31.745 31.287 0.458 19684 239 1 . 1 1 50 50 TRP H H 50 8.025 8.025 7.672 0.353 19684 240 1 . 1 1 51 51 LEU N N 51 123.575 123.575 120.506 3.069 19684 241 1 . 1 1 51 51 LEU HA H 51 4.966 4.966 5.047 -0.081 19684 242 1 . 1 1 51 51 LEU C C 51 175.162 175.162 175.785 -0.623 19684 243 1 . 1 1 51 51 LEU CA C 51 52.643 52.643 53.401 -0.758 19684 244 1 . 1 1 51 51 LEU CB C 51 44.214 44.214 45.642 -1.428 19684 245 1 . 1 1 51 51 LEU H H 51 9.635 9.635 9.069 0.566 19684 246 1 . 1 1 52 52 GLU N N 52 119.825 119.825 119.956 -0.131 19684 247 1 . 1 1 52 52 GLU HA H 52 5.180 5.180 5.491 -0.311 19684 248 1 . 1 1 52 52 GLU C C 52 175.082 175.082 176.028 -0.946 19684 249 1 . 1 1 52 52 GLU CA C 52 54.693 54.693 54.814 -0.121 19684 250 1 . 1 1 52 52 GLU CB C 52 32.735 32.735 32.816 -0.081 19684 251 1 . 1 1 52 52 GLU H H 52 9.144 9.144 8.589 0.555 19684 252 1 . 1 1 53 53 GLY N N 53 106.528 106.528 111.233 -4.705 19684 253 1 . 1 1 53 53 GLY C C 53 170.278 170.278 172.841 -2.563 19684 254 1 . 1 1 53 53 GLY CA C 53 45.500 45.500 44.934 0.566 19684 255 1 . 1 1 53 53 GLY H H 53 8.500 8.500 8.146 0.354 19684 256 1 . 1 1 54 54 THR N N 54 115.540 115.540 118.533 -2.993 19684 257 1 . 1 1 54 54 THR HA H 54 5.334 5.334 4.799 0.535 19684 258 1 . 1 1 54 54 THR C C 54 173.549 173.549 173.304 0.245 19684 259 1 . 1 1 54 54 THR CA C 54 61.186 61.186 62.688 -1.502 19684 260 1 . 1 1 54 54 THR CB C 54 69.935 69.935 70.010 -0.075 19684 261 1 . 1 1 54 54 THR H H 54 9.085 9.085 8.692 0.393 19684 262 1 . 1 1 55 55 LEU N N 55 128.613 128.613 129.502 -0.889 19684 263 1 . 1 1 55 55 LEU HA H 55 4.842 4.842 4.764 0.079 19684 264 1 . 1 1 55 55 LEU C C 55 176.045 176.045 176.116 -0.071 19684 265 1 . 1 1 55 55 LEU CA C 55 53.387 53.387 53.656 -0.269 19684 266 1 . 1 1 55 55 LEU CB C 55 45.579 45.579 44.167 1.412 19684 267 1 . 1 1 55 55 LEU H H 55 9.368 9.368 8.615 0.753 19684 268 1 . 1 1 56 56 ASN N N 56 128.674 128.674 124.754 3.920 19684 269 1 . 1 1 56 56 ASN HA H 56 4.403 4.403 4.398 0.005 19684 270 1 . 1 1 56 56 ASN C C 56 175.457 175.457 175.494 -0.037 19684 271 1 . 1 1 56 56 ASN CA C 56 54.126 54.126 54.577 -0.451 19684 272 1 . 1 1 56 56 ASN CB C 56 37.291 37.291 37.337 -0.046 19684 273 1 . 1 1 56 56 ASN H H 56 9.670 9.670 9.267 0.403 19684 274 1 . 1 1 57 57 GLY N N 57 102.683 102.683 105.000 -2.317 19684 275 1 . 1 1 57 57 GLY C C 57 173.175 173.175 173.122 0.053 19684 276 1 . 1 1 57 57 GLY CA C 57 45.263 45.263 45.078 0.185 19684 277 1 . 1 1 57 57 GLY H H 57 8.441 8.441 8.398 0.043 19684 278 1 . 1 1 58 58 LYS N N 58 122.749 122.749 121.696 1.053 19684 279 1 . 1 1 58 58 LYS HA H 58 4.621 4.621 4.581 0.040 19684 280 1 . 1 1 58 58 LYS C C 58 173.237 173.237 175.063 -1.826 19684 281 1 . 1 1 58 58 LYS CA C 58 54.962 54.962 55.177 -0.215 19684 282 1 . 1 1 58 58 LYS CB C 58 34.303 34.303 34.558 -0.255 19684 283 1 . 1 1 58 58 LYS H H 58 7.847 7.847 7.719 0.128 19684 284 1 . 1 1 59 59 ARG N N 59 127.435 127.435 128.333 -0.898 19684 285 1 . 1 1 59 59 ARG HA H 59 5.417 5.417 5.338 0.079 19684 286 1 . 1 1 59 59 ARG C C 59 176.486 176.486 175.655 0.831 19684 287 1 . 1 1 59 59 ARG CA C 59 54.079 54.079 55.380 -1.301 19684 288 1 . 1 1 59 59 ARG CB C 59 31.815 31.815 32.107 -0.292 19684 289 1 . 1 1 59 59 ARG H H 59 8.741 8.741 8.731 0.010 19684 290 1 . 1 1 60 60 GLY N N 60 112.447 112.447 111.129 1.318 19684 291 1 . 1 1 60 60 GLY C C 60 170.709 170.709 172.423 -1.714 19684 292 1 . 1 1 60 60 GLY CA C 60 45.648 45.648 44.965 0.683 19684 293 1 . 1 1 60 60 GLY H H 60 8.745 8.745 8.052 0.693 19684 294 1 . 1 1 61 61 LEU N N 61 117.631 117.631 121.622 -3.991 19684 295 1 . 1 1 61 61 LEU HA H 61 5.330 5.330 4.786 0.544 19684 296 1 . 1 1 61 61 LEU C C 61 178.461 178.461 176.489 1.972 19684 297 1 . 1 1 61 61 LEU CA C 61 54.784 54.784 55.524 -0.740 19684 298 1 . 1 1 61 61 LEU CB C 61 44.075 44.075 42.469 1.606 19684 299 1 . 1 1 61 61 LEU H H 61 8.527 8.527 8.112 0.415 19684 300 1 . 1 1 62 62 ILE N N 62 121.463 121.463 124.046 -2.583 19684 301 1 . 1 1 62 62 ILE HA H 62 4.899 4.899 4.837 0.062 19684 302 1 . 1 1 62 62 ILE C C 62 172.776 172.776 173.653 -0.877 19684 303 1 . 1 1 62 62 ILE CA C 62 58.089 58.089 58.075 0.014 19684 304 1 . 1 1 62 62 ILE CB C 62 43.821 43.821 40.671 3.150 19684 305 1 . 1 1 62 62 ILE H H 62 9.387 9.387 9.241 0.146 19684 306 1 . 1 1 63 63 PRO HA H 63 3.610 3.610 3.848 -0.238 19684 307 1 . 1 1 63 63 PRO C C 63 179.007 179.007 177.118 1.889 19684 308 1 . 1 1 63 63 PRO CA C 63 62.475 62.475 62.342 0.133 19684 309 1 . 1 1 63 63 PRO CB C 63 30.637 30.637 30.935 -0.298 19684 310 1 . 1 1 64 64 GLN N N 64 124.254 124.254 126.521 -2.267 19684 311 1 . 1 1 64 64 GLN HA H 64 3.624 3.624 3.815 -0.191 19684 312 1 . 1 1 64 64 GLN C C 64 176.210 176.210 177.635 -1.425 19684 313 1 . 1 1 64 64 GLN CA C 64 58.984 58.984 59.208 -0.224 19684 314 1 . 1 1 64 64 GLN CB C 64 28.212 28.212 28.400 -0.188 19684 315 1 . 1 1 64 64 GLN H H 64 8.045 8.045 8.138 -0.093 19684 316 1 . 1 1 65 65 ASN N N 65 111.289 111.289 116.871 -5.582 19684 317 1 . 1 1 65 65 ASN HA H 65 4.722 4.722 4.572 0.150 19684 318 1 . 1 1 65 65 ASN C C 65 175.720 175.720 176.567 -0.847 19684 319 1 . 1 1 65 65 ASN CA C 65 53.734 53.734 55.501 -1.767 19684 320 1 . 1 1 65 65 ASN CB C 65 36.735 36.735 38.214 -1.479 19684 321 1 . 1 1 65 65 ASN H H 65 8.543 8.543 8.426 0.117 19684 322 1 . 1 1 66 66 TYR N N 66 118.333 118.333 115.769 2.564 19684 323 1 . 1 1 66 66 TYR HA H 66 4.906 4.906 4.921 -0.015 19684 324 1 . 1 1 66 66 TYR C C 66 175.641 175.641 175.186 0.455 19684 325 1 . 1 1 66 66 TYR CA C 66 57.121 57.121 56.954 0.167 19684 326 1 . 1 1 66 66 TYR CB C 66 37.682 37.682 38.827 -1.145 19684 327 1 . 1 1 66 66 TYR H H 66 7.919 7.919 7.719 0.200 19684 328 1 . 1 1 67 67 VAL N N 67 108.796 108.796 111.510 -2.714 19684 329 1 . 1 1 67 67 VAL HA H 67 5.441 5.441 4.943 0.498 19684 330 1 . 1 1 67 67 VAL C C 67 173.714 173.714 174.807 -1.094 19684 331 1 . 1 1 67 67 VAL CA C 67 57.990 57.990 58.830 -0.840 19684 332 1 . 1 1 67 67 VAL CB C 67 35.467 35.467 35.181 0.286 19684 333 1 . 1 1 67 67 VAL H H 67 7.341 7.341 7.322 0.019 19684 334 1 . 1 1 68 68 LYS N N 68 120.974 120.974 122.590 -1.616 19684 335 1 . 1 1 68 68 LYS HA H 68 4.692 4.692 4.615 0.077 19684 336 1 . 1 1 68 68 LYS C C 68 175.962 175.962 175.660 0.302 19684 337 1 . 1 1 68 68 LYS CA C 68 54.108 54.108 54.399 -0.291 19684 338 1 . 1 1 68 68 LYS CB C 68 35.051 35.051 34.948 0.103 19684 339 1 . 1 1 68 68 LYS H H 68 8.907 8.907 8.382 0.525 19684 340 1 . 1 1 69 69 LEU N N 69 126.343 126.343 127.822 -1.479 19684 341 1 . 1 1 69 69 LEU HA H 69 4.392 4.392 4.412 -0.020 19684 342 1 . 1 1 69 69 LEU C C 69 176.293 176.293 177.154 -0.861 19684 343 1 . 1 1 69 69 LEU CA C 69 55.627 55.627 55.372 0.255 19684 344 1 . 1 1 69 69 LEU CB C 69 41.278 41.278 41.256 0.022 19684 345 1 . 1 1 69 69 LEU H H 69 8.791 8.791 8.679 0.112 19684 stop_ save_