data_19546 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19546 _Entry.PDB_ID 2MFE 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 19546 _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 LEU N N 2 124.364 124.364 125.435 -1.071 19546 2 1 1 . 1 1 2 2 LEU HA H 2 4.547 4.547 4.822 -0.275 19546 3 1 1 . 1 1 2 2 LEU CA C 2 54.353 54.353 54.403 -0.050 19546 4 1 1 . 1 1 2 2 LEU CB C 2 42.514 42.514 42.822 -0.308 19546 5 1 1 . 1 1 2 2 LEU H H 2 8.494 8.494 8.381 0.113 19546 6 1 1 . 1 1 3 3 ILE N N 3 130.774 130.774 123.320 7.454 19546 7 1 1 . 1 1 3 3 ILE HA H 3 5.071 5.071 4.426 0.645 19546 8 1 1 . 1 1 3 3 ILE CA C 3 60.083 60.083 61.097 -1.014 19546 9 1 1 . 1 1 3 3 ILE CB C 3 37.710 37.710 39.614 -1.904 19546 10 1 1 . 1 1 3 3 ILE H H 3 10.676 10.676 8.264 2.412 19546 11 1 1 . 1 1 4 4 LEU N N 4 122.204 122.204 127.506 -5.302 19546 12 1 1 . 1 1 4 4 LEU HA H 4 4.535 4.535 4.861 -0.326 19546 13 1 1 . 1 1 4 4 LEU CA C 4 52.555 52.555 53.979 -1.424 19546 14 1 1 . 1 1 4 4 LEU CB C 4 47.177 47.177 44.322 2.855 19546 15 1 1 . 1 1 4 4 LEU H H 4 8.587 8.587 8.379 0.208 19546 16 1 1 . 1 1 5 5 THR N N 5 119.940 119.940 116.326 3.614 19546 17 1 1 . 1 1 5 5 THR HA H 5 5.476 5.476 4.797 0.679 19546 18 1 1 . 1 1 5 5 THR CA C 5 61.923 61.923 61.666 0.257 19546 19 1 1 . 1 1 5 5 THR CB C 5 68.963 68.963 71.553 -2.591 19546 20 1 1 . 1 1 5 5 THR H H 5 9.161 9.161 8.184 0.977 19546 21 1 1 . 1 1 6 6 ARG N N 6 126.862 126.862 123.901 2.961 19546 22 1 1 . 1 1 6 6 ARG HA H 6 5.023 5.023 4.559 0.464 19546 23 1 1 . 1 1 6 6 ARG CA C 6 55.325 55.325 55.080 0.245 19546 24 1 1 . 1 1 6 6 ARG CB C 6 38.076 38.076 33.529 4.547 19546 25 1 1 . 1 1 6 6 ARG H H 6 9.619 9.619 8.521 1.098 19546 26 1 1 . 1 1 7 7 LYS N N 7 123.703 123.703 120.663 3.040 19546 27 1 1 . 1 1 7 7 LYS HA H 7 5.069 5.069 4.671 0.398 19546 28 1 1 . 1 1 7 7 LYS CA C 7 54.427 54.427 54.992 -0.566 19546 29 1 1 . 1 1 7 7 LYS CB C 7 34.217 34.217 35.748 -1.531 19546 30 1 1 . 1 1 7 7 LYS H H 7 9.450 9.450 8.535 0.915 19546 31 1 1 . 1 1 8 8 VAL N N 8 118.617 118.617 121.157 -2.540 19546 32 1 1 . 1 1 8 8 VAL HA H 8 3.315 3.315 3.648 -0.333 19546 33 1 1 . 1 1 8 8 VAL CA C 8 66.050 66.050 64.196 1.854 19546 34 1 1 . 1 1 8 8 VAL CB C 8 31.491 31.491 30.781 0.710 19546 35 1 1 . 1 1 8 8 VAL H H 8 7.741 7.741 8.502 -0.761 19546 36 1 1 . 1 1 9 9 GLY N N 9 116.069 116.069 115.106 0.963 19546 37 1 1 . 1 1 9 9 GLY CA C 9 44.524 44.524 44.690 -0.166 19546 38 1 1 . 1 1 9 9 GLY H H 9 9.269 9.269 8.942 0.327 19546 39 1 1 . 1 1 10 10 GLU N N 10 119.364 119.364 119.401 -0.037 19546 40 1 1 . 1 1 10 10 GLU HA H 10 4.891 4.891 4.796 0.095 19546 41 1 1 . 1 1 10 10 GLU CA C 10 55.788 55.788 54.265 1.523 19546 42 1 1 . 1 1 10 10 GLU CB C 10 32.873 32.873 33.260 -0.387 19546 43 1 1 . 1 1 10 10 GLU H H 10 8.426 8.426 7.973 0.453 19546 44 1 1 . 1 1 11 11 SER N N 11 112.510 112.510 113.480 -0.970 19546 45 1 1 . 1 1 11 11 SER HA H 11 5.882 5.882 5.343 0.539 19546 46 1 1 . 1 1 11 11 SER CA C 11 57.997 57.997 57.067 0.930 19546 47 1 1 . 1 1 11 11 SER CB C 11 66.884 66.884 66.069 0.815 19546 48 1 1 . 1 1 11 11 SER H H 11 8.672 8.672 8.358 0.314 19546 49 1 1 . 1 1 12 12 ILE N N 12 124.592 124.592 119.482 5.110 19546 50 1 1 . 1 1 12 12 ILE HA H 12 4.365 4.365 4.562 -0.197 19546 51 1 1 . 1 1 12 12 ILE CA C 12 59.814 59.814 59.052 0.762 19546 52 1 1 . 1 1 12 12 ILE CB C 12 42.616 42.616 42.267 0.349 19546 53 1 1 . 1 1 12 12 ILE H H 12 9.265 9.265 8.851 0.414 19546 54 1 1 . 1 1 13 13 ASN N N 13 126.127 126.127 121.417 4.710 19546 55 1 1 . 1 1 13 13 ASN HA H 13 4.947 4.947 5.252 -0.305 19546 56 1 1 . 1 1 13 13 ASN CA C 13 53.571 53.571 52.149 1.422 19546 57 1 1 . 1 1 13 13 ASN CB C 13 41.491 41.491 41.687 -0.196 19546 58 1 1 . 1 1 13 13 ASN H H 13 9.318 9.318 8.381 0.937 19546 59 1 1 . 1 1 14 14 ILE N N 14 123.984 123.984 122.714 1.270 19546 60 1 1 . 1 1 14 14 ILE HA H 14 4.475 4.475 4.451 0.024 19546 61 1 1 . 1 1 14 14 ILE CA C 14 60.582 60.582 60.757 -0.175 19546 62 1 1 . 1 1 14 14 ILE CB C 14 38.573 38.573 41.767 -3.193 19546 63 1 1 . 1 1 14 14 ILE H H 14 8.392 8.392 8.653 -0.261 19546 64 1 1 . 1 1 15 15 GLY N N 15 115.533 115.533 112.463 3.070 19546 65 1 1 . 1 1 15 15 GLY CA C 15 45.893 45.893 46.474 -0.581 19546 66 1 1 . 1 1 15 15 GLY H H 15 9.148 9.148 8.581 0.567 19546 67 1 1 . 1 1 16 16 ASP N N 16 121.039 121.039 121.914 -0.875 19546 68 1 1 . 1 1 16 16 ASP HA H 16 4.969 4.969 4.726 0.243 19546 69 1 1 . 1 1 16 16 ASP CA C 16 55.256 55.256 54.380 0.876 19546 70 1 1 . 1 1 16 16 ASP CB C 16 42.342 42.342 41.666 0.676 19546 71 1 1 . 1 1 16 16 ASP H H 16 8.809 8.809 8.292 0.517 19546 72 1 1 . 1 1 17 17 ASP N N 17 115.538 115.538 119.208 -3.670 19546 73 1 1 . 1 1 17 17 ASP HA H 17 4.749 4.749 4.792 -0.043 19546 74 1 1 . 1 1 17 17 ASP CA C 17 54.134 54.134 54.125 0.009 19546 75 1 1 . 1 1 17 17 ASP CB C 17 42.578 42.578 43.562 -0.984 19546 76 1 1 . 1 1 17 17 ASP H H 17 8.140 8.140 7.941 0.199 19546 77 1 1 . 1 1 18 18 ILE N N 18 118.702 118.702 119.880 -1.178 19546 78 1 1 . 1 1 18 18 ILE HA H 18 5.239 5.239 4.716 0.523 19546 79 1 1 . 1 1 18 18 ILE CA C 18 60.037 60.037 60.486 -0.449 19546 80 1 1 . 1 1 18 18 ILE CB C 18 39.755 39.755 41.912 -2.157 19546 81 1 1 . 1 1 18 18 ILE H H 18 7.183 7.183 7.662 -0.479 19546 82 1 1 . 1 1 19 19 THR N N 19 122.806 122.806 122.233 0.573 19546 83 1 1 . 1 1 19 19 THR HA H 19 5.110 5.110 4.999 0.111 19546 84 1 1 . 1 1 19 19 THR CA C 19 60.845 60.845 61.732 -0.887 19546 85 1 1 . 1 1 19 19 THR CB C 19 71.703 71.703 72.027 -0.324 19546 86 1 1 . 1 1 19 19 THR H H 19 8.993 8.993 8.232 0.761 19546 87 1 1 . 1 1 20 20 ILE N N 20 123.302 123.302 122.507 0.795 19546 88 1 1 . 1 1 20 20 ILE HA H 20 4.891 4.891 4.831 0.060 19546 89 1 1 . 1 1 20 20 ILE CA C 20 58.946 58.946 59.249 -0.303 19546 90 1 1 . 1 1 20 20 ILE CB C 20 40.382 40.382 41.828 -1.446 19546 91 1 1 . 1 1 20 20 ILE H H 20 8.918 8.918 9.123 -0.205 19546 92 1 1 . 1 1 21 21 THR N N 21 123.751 123.751 118.949 4.802 19546 93 1 1 . 1 1 21 21 THR HA H 21 4.837 4.837 4.980 -0.143 19546 94 1 1 . 1 1 21 21 THR CA C 21 61.523 61.523 61.437 0.086 19546 95 1 1 . 1 1 21 21 THR CB C 21 71.939 71.939 72.287 -0.348 19546 96 1 1 . 1 1 21 21 THR H H 21 9.398 9.398 8.649 0.749 19546 97 1 1 . 1 1 22 22 ILE N N 22 125.736 125.736 125.869 -0.133 19546 98 1 1 . 1 1 22 22 ILE HA H 22 4.119 4.119 4.505 -0.386 19546 99 1 1 . 1 1 22 22 ILE CA C 22 59.111 59.111 58.660 0.451 19546 100 1 1 . 1 1 22 22 ILE CB C 22 33.929 33.929 38.526 -4.597 19546 101 1 1 . 1 1 22 22 ILE H H 22 8.053 8.053 8.424 -0.371 19546 102 1 1 . 1 1 23 23 LEU N N 23 129.499 129.499 129.135 0.364 19546 103 1 1 . 1 1 23 23 LEU HA H 23 4.529 4.529 4.446 0.083 19546 104 1 1 . 1 1 23 23 LEU CA C 23 55.574 55.574 55.801 -0.227 19546 105 1 1 . 1 1 23 23 LEU CB C 23 41.923 41.923 42.027 -0.104 19546 106 1 1 . 1 1 23 23 LEU H H 23 8.890 8.890 8.427 0.463 19546 107 1 1 . 1 1 24 24 GLY N N 24 104.858 104.858 104.171 0.687 19546 108 1 1 . 1 1 24 24 GLY CA C 24 46.001 46.001 45.191 0.810 19546 109 1 1 . 1 1 24 24 GLY H H 24 7.565 7.565 7.652 -0.087 19546 110 1 1 . 1 1 25 25 VAL N N 25 120.794 120.794 115.764 5.030 19546 111 1 1 . 1 1 25 25 VAL HA H 25 4.670 4.670 4.705 -0.035 19546 112 1 1 . 1 1 25 25 VAL CA C 25 61.459 61.459 59.224 2.236 19546 113 1 1 . 1 1 25 25 VAL CB C 25 35.692 35.692 35.656 0.036 19546 114 1 1 . 1 1 25 25 VAL H H 25 8.477 8.477 8.242 0.235 19546 115 1 1 . 1 1 26 26 SER N N 26 122.022 122.022 117.852 4.170 19546 116 1 1 . 1 1 26 26 SER HA H 26 4.691 4.691 4.722 -0.031 19546 117 1 1 . 1 1 26 26 SER CA C 26 56.322 56.322 58.089 -1.767 19546 118 1 1 . 1 1 26 26 SER CB C 26 63.731 63.731 63.594 0.136 19546 119 1 1 . 1 1 26 26 SER H H 26 8.619 8.619 8.659 -0.040 19546 120 1 1 . 1 1 27 27 GLY N N 27 118.775 118.775 112.408 6.367 19546 121 1 1 . 1 1 27 27 GLY CA C 27 47.626 47.626 45.937 1.689 19546 122 1 1 . 1 1 27 27 GLY H H 27 8.969 8.969 8.122 0.847 19546 123 1 1 . 1 1 28 28 GLN N N 28 124.390 124.390 125.104 -0.714 19546 124 1 1 . 1 1 28 28 GLN HA H 28 4.324 4.324 4.269 0.055 19546 125 1 1 . 1 1 28 28 GLN CA C 28 54.980 54.980 56.791 -1.812 19546 126 1 1 . 1 1 28 28 GLN CB C 28 29.553 29.553 28.904 0.649 19546 127 1 1 . 1 1 28 28 GLN H H 28 8.761 8.761 8.615 0.146 19546 128 1 1 . 1 1 29 29 GLN N N 29 116.885 116.885 118.152 -1.267 19546 129 1 1 . 1 1 29 29 GLN HA H 29 4.651 4.651 4.569 0.082 19546 130 1 1 . 1 1 29 29 GLN CA C 29 55.364 55.364 55.018 0.346 19546 131 1 1 . 1 1 29 29 GLN CB C 29 31.289 31.289 31.630 -0.341 19546 132 1 1 . 1 1 29 29 GLN H H 29 8.307 8.307 7.498 0.809 19546 133 1 1 . 1 1 30 30 VAL N N 30 123.399 123.399 119.461 3.938 19546 134 1 1 . 1 1 30 30 VAL HA H 30 4.602 4.602 4.241 0.361 19546 135 1 1 . 1 1 30 30 VAL CA C 30 60.710 60.710 61.206 -0.496 19546 136 1 1 . 1 1 30 30 VAL CB C 30 34.560 34.560 34.956 -0.396 19546 137 1 1 . 1 1 30 30 VAL H H 30 9.103 9.103 8.317 0.786 19546 138 1 1 . 1 1 31 31 ARG N N 31 128.722 128.722 126.443 2.279 19546 139 1 1 . 1 1 31 31 ARG HA H 31 4.659 4.659 4.799 -0.140 19546 140 1 1 . 1 1 31 31 ARG CA C 31 55.755 55.755 54.330 1.425 19546 141 1 1 . 1 1 31 31 ARG CB C 31 31.871 31.871 31.391 0.480 19546 142 1 1 . 1 1 31 31 ARG H H 31 8.750 8.750 8.439 0.311 19546 143 1 1 . 1 1 32 32 ILE N N 32 127.760 127.760 119.379 8.381 19546 144 1 1 . 1 1 32 32 ILE HA H 32 4.652 4.652 5.055 -0.403 19546 145 1 1 . 1 1 32 32 ILE CA C 32 59.738 59.738 58.883 0.855 19546 146 1 1 . 1 1 32 32 ILE CB C 32 41.082 41.082 42.189 -1.107 19546 147 1 1 . 1 1 32 32 ILE H H 32 9.069 9.069 8.504 0.565 19546 148 1 1 . 1 1 33 33 GLY N N 33 112.098 112.098 109.490 2.608 19546 149 1 1 . 1 1 33 33 GLY CA C 33 44.565 44.565 43.800 0.765 19546 150 1 1 . 1 1 33 33 GLY H H 33 9.075 9.075 8.638 0.437 19546 151 1 1 . 1 1 34 34 ILE N N 34 124.988 124.988 118.880 6.108 19546 152 1 1 . 1 1 34 34 ILE HA H 34 4.863 4.863 4.561 0.302 19546 153 1 1 . 1 1 34 34 ILE CA C 34 61.053 61.053 60.835 0.218 19546 154 1 1 . 1 1 34 34 ILE CB C 34 41.339 41.339 42.108 -0.769 19546 155 1 1 . 1 1 34 34 ILE H H 34 9.654 9.654 8.195 1.459 19546 156 1 1 . 1 1 35 35 ASN N N 35 129.566 129.566 124.867 4.699 19546 157 1 1 . 1 1 35 35 ASN HA H 35 5.102 5.102 4.899 0.203 19546 158 1 1 . 1 1 35 35 ASN CA C 35 52.166 52.166 52.337 -0.171 19546 159 1 1 . 1 1 35 35 ASN CB C 35 40.191 40.191 39.486 0.706 19546 160 1 1 . 1 1 35 35 ASN H H 35 9.013 9.013 9.049 -0.036 19546 161 1 1 . 1 1 36 36 ALA N N 36 125.469 125.469 125.431 0.038 19546 162 1 1 . 1 1 36 36 ALA HA H 36 5.066 5.066 5.372 -0.306 19546 163 1 1 . 1 1 36 36 ALA CA C 36 49.445 49.445 48.811 0.634 19546 164 1 1 . 1 1 36 36 ALA CB C 36 19.884 19.884 20.434 -0.550 19546 165 1 1 . 1 1 36 36 ALA H H 36 8.205 8.205 7.908 0.297 19546 166 1 1 . 1 1 37 37 PRO HA H 37 4.415 4.415 4.673 -0.258 19546 167 1 1 . 1 1 37 37 PRO CA C 37 62.961 62.961 62.328 0.633 19546 168 1 1 . 1 1 37 37 PRO CB C 37 32.374 32.374 33.531 -1.157 19546 169 1 1 . 1 1 38 38 LYS N N 38 121.088 121.088 120.252 0.836 19546 170 1 1 . 1 1 38 38 LYS HA H 38 3.794 3.794 4.138 -0.344 19546 171 1 1 . 1 1 38 38 LYS CA C 38 58.747 58.747 57.946 0.801 19546 172 1 1 . 1 1 38 38 LYS CB C 38 31.857 31.857 32.252 -0.395 19546 173 1 1 . 1 1 38 38 LYS H H 38 8.581 8.581 8.626 -0.045 19546 174 1 1 . 1 1 39 39 ASP N N 39 113.879 113.879 117.530 -3.651 19546 175 1 1 . 1 1 39 39 ASP HA H 39 4.364 4.364 4.567 -0.203 19546 176 1 1 . 1 1 39 39 ASP CA C 39 54.027 54.027 55.456 -1.429 19546 177 1 1 . 1 1 39 39 ASP CB C 39 39.749 39.749 41.133 -1.384 19546 178 1 1 . 1 1 39 39 ASP H H 39 8.164 8.164 8.059 0.105 19546 179 1 1 . 1 1 40 40 VAL N N 40 122.755 122.755 116.046 6.709 19546 180 1 1 . 1 1 40 40 VAL HA H 40 3.975 3.975 4.411 -0.436 19546 181 1 1 . 1 1 40 40 VAL CA C 40 61.937 61.937 60.015 1.922 19546 182 1 1 . 1 1 40 40 VAL CB C 40 31.941 31.941 34.436 -2.495 19546 183 1 1 . 1 1 40 40 VAL H H 40 8.053 8.053 7.477 0.576 19546 184 1 1 . 1 1 41 41 ALA N N 41 133.718 133.718 127.710 6.008 19546 185 1 1 . 1 1 41 41 ALA HA H 41 4.445 4.445 4.394 0.051 19546 186 1 1 . 1 1 41 41 ALA CA C 41 52.269 52.269 52.549 -0.280 19546 187 1 1 . 1 1 41 41 ALA CB C 41 19.053 19.053 19.196 -0.143 19546 188 1 1 . 1 1 41 41 ALA H H 41 8.927 8.927 8.223 0.704 19546 189 1 1 . 1 1 42 42 VAL N N 42 125.374 125.374 124.388 0.986 19546 190 1 1 . 1 1 42 42 VAL HA H 42 4.384 4.384 4.416 -0.032 19546 191 1 1 . 1 1 42 42 VAL CA C 42 60.485 60.485 63.250 -2.765 19546 192 1 1 . 1 1 42 42 VAL CB C 42 33.636 33.636 33.754 -0.118 19546 193 1 1 . 1 1 42 42 VAL H H 42 7.899 7.899 8.625 -0.726 19546 194 1 1 . 1 1 43 43 HIS N N 43 118.709 118.709 125.077 -6.368 19546 195 1 1 . 1 1 43 43 HIS HA H 43 5.505 5.505 5.060 0.445 19546 196 1 1 . 1 1 43 43 HIS CA C 43 53.758 53.758 55.144 -1.386 19546 197 1 1 . 1 1 43 43 HIS CB C 43 37.671 37.671 32.052 5.619 19546 198 1 1 . 1 1 43 43 HIS H H 43 8.580 8.580 8.204 0.376 19546 199 1 1 . 1 1 44 44 ARG N N 44 121.721 121.721 121.134 0.587 19546 200 1 1 . 1 1 44 44 ARG HA H 44 3.923 3.923 4.388 -0.465 19546 201 1 1 . 1 1 44 44 ARG CA C 44 58.392 58.392 56.086 2.306 19546 202 1 1 . 1 1 44 44 ARG H H 44 8.396 8.396 8.670 -0.274 19546 203 1 1 . 1 1 45 45 GLU N N 45 126.002 126.002 121.803 4.199 19546 204 1 1 . 1 1 45 45 GLU HA H 45 4.384 4.384 4.063 0.321 19546 205 1 1 . 1 1 45 45 GLU CA C 45 59.792 59.792 59.029 0.763 19546 206 1 1 . 1 1 45 45 GLU CB C 45 29.945 29.945 29.167 0.778 19546 207 1 1 . 1 1 45 45 GLU H H 45 7.892 7.892 8.986 -1.094 19546 208 1 1 . 1 1 46 46 GLU N N 46 118.201 118.201 117.737 0.464 19546 209 1 1 . 1 1 46 46 GLU HA H 46 4.212 4.212 4.207 0.005 19546 210 1 1 . 1 1 46 46 GLU CA C 46 58.717 58.717 58.029 0.688 19546 211 1 1 . 1 1 46 46 GLU CB C 46 27.031 27.031 29.479 -2.448 19546 212 1 1 . 1 1 46 46 GLU H H 46 10.804 10.804 8.552 2.252 19546 213 1 1 . 1 1 47 47 ILE N N 47 122.295 122.295 116.429 5.866 19546 214 1 1 . 1 1 47 47 ILE HA H 47 3.526 3.526 4.136 -0.610 19546 215 1 1 . 1 1 47 47 ILE CA C 47 60.756 60.756 62.065 -1.309 19546 216 1 1 . 1 1 47 47 ILE CB C 47 34.770 34.770 40.484 -5.715 19546 217 1 1 . 1 1 47 47 ILE H H 47 7.177 7.177 7.455 -0.278 19546 218 1 1 . 1 1 48 48 TYR N N 48 122.359 122.359 122.047 0.312 19546 219 1 1 . 1 1 48 48 TYR HA H 48 3.542 3.542 3.836 -0.294 19546 220 1 1 . 1 1 48 48 TYR CA C 48 62.507 62.507 63.047 -0.540 19546 221 1 1 . 1 1 48 48 TYR CB C 48 39.069 39.069 38.786 0.283 19546 222 1 1 . 1 1 48 48 TYR H H 48 7.949 7.949 8.685 -0.736 19546 223 1 1 . 1 1 49 49 GLN N N 49 115.099 115.099 115.248 -0.149 19546 224 1 1 . 1 1 49 49 GLN HA H 49 3.821 3.821 4.060 -0.239 19546 225 1 1 . 1 1 49 49 GLN CA C 49 58.633 58.633 57.707 0.926 19546 226 1 1 . 1 1 49 49 GLN CB C 49 28.038 28.038 28.790 -0.751 19546 227 1 1 . 1 1 49 49 GLN H H 49 8.597 8.597 8.108 0.489 19546 228 1 1 . 1 1 50 50 ARG N N 50 120.635 120.635 117.574 3.061 19546 229 1 1 . 1 1 50 50 ARG HA H 50 3.938 3.938 4.232 -0.294 19546 230 1 1 . 1 1 50 50 ARG CA C 50 59.616 59.616 57.713 1.903 19546 231 1 1 . 1 1 50 50 ARG CB C 50 30.462 30.462 30.620 -0.158 19546 232 1 1 . 1 1 50 50 ARG H H 50 7.134 7.134 7.450 -0.316 19546 233 1 1 . 1 1 51 51 ILE N N 51 120.637 120.637 121.869 -1.232 19546 234 1 1 . 1 1 51 51 ILE HA H 51 3.521 3.521 3.698 -0.177 19546 235 1 1 . 1 1 51 51 ILE CA C 51 65.010 65.010 64.550 0.460 19546 236 1 1 . 1 1 51 51 ILE CB C 51 37.878 37.878 38.010 -0.132 19546 237 1 1 . 1 1 51 51 ILE H H 51 7.694 7.694 7.661 0.033 19546 238 1 1 . 1 1 52 52 GLN N N 52 118.700 118.700 116.412 2.288 19546 239 1 1 . 1 1 52 52 GLN HA H 52 3.768 3.768 3.989 -0.221 19546 240 1 1 . 1 1 52 52 GLN CA C 52 57.616 57.616 56.040 1.576 19546 241 1 1 . 1 1 52 52 GLN CB C 52 28.095 28.095 27.353 0.742 19546 242 1 1 . 1 1 52 52 GLN H H 52 7.910 7.910 7.609 0.301 19546 243 1 1 . 1 1 53 53 ALA N N 53 120.010 120.010 120.813 -0.803 19546 244 1 1 . 1 1 53 53 ALA HA H 53 4.185 4.185 4.186 -0.001 19546 245 1 1 . 1 1 53 53 ALA CA C 53 53.071 53.071 52.825 0.246 19546 246 1 1 . 1 1 53 53 ALA CB C 53 18.546 18.546 19.348 -0.801 19546 247 1 1 . 1 1 53 53 ALA H H 53 7.554 7.554 7.053 0.501 19546 248 1 1 . 1 1 54 54 GLY N N 54 105.898 105.898 104.586 1.312 19546 249 1 1 . 1 1 54 54 GLY CA C 54 45.605 45.605 44.838 0.767 19546 250 1 1 . 1 1 54 54 GLY H H 54 7.692 7.692 7.771 -0.079 19546 251 1 1 . 1 1 55 55 LEU N N 55 120.793 120.793 117.647 3.146 19546 252 1 1 . 1 1 55 55 LEU HA H 55 4.352 4.352 5.111 -0.759 19546 253 1 1 . 1 1 55 55 LEU CA C 55 54.964 54.964 53.545 1.419 19546 254 1 1 . 1 1 55 55 LEU CB C 55 42.006 42.006 42.765 -0.759 19546 255 1 1 . 1 1 55 55 LEU H H 55 7.669 7.669 7.745 -0.076 19546 256 1 1 . 1 1 56 56 THR N N 56 114.129 114.129 109.740 4.389 19546 257 1 1 . 1 1 56 56 THR HA H 56 4.278 4.278 4.450 -0.172 19546 258 1 1 . 1 1 56 56 THR CA C 56 61.492 61.492 60.212 1.280 19546 259 1 1 . 1 1 56 56 THR CB C 56 69.957 69.957 70.832 -0.875 19546 260 1 1 . 1 1 56 56 THR H H 56 7.928 7.928 7.871 0.057 19546 261 1 1 . 1 1 57 57 ALA N N 57 127.280 127.280 123.599 3.681 19546 262 1 1 . 1 1 57 57 ALA HA H 57 4.178 4.178 4.323 -0.145 19546 263 1 1 . 1 1 57 57 ALA CA C 57 50.568 50.568 51.580 -1.012 19546 264 1 1 . 1 1 57 57 ALA CB C 57 17.738 17.738 18.384 -0.646 19546 265 1 1 . 1 1 57 57 ALA H H 57 8.110 8.110 8.210 -0.100 19546 266 1 1 . 1 1 58 58 PRO HA H 58 4.279 4.279 4.312 -0.033 19546 267 1 1 . 1 1 58 58 PRO CA C 58 63.266 63.266 63.404 -0.138 19546 268 1 1 . 1 1 58 58 PRO CB C 58 31.983 31.983 32.044 -0.061 19546 269 1 2 . 1 1 2 2 LEU N N 2 124.364 124.364 125.864 -1.500 19546 270 1 2 . 1 1 2 2 LEU HA H 2 4.547 4.547 4.744 -0.197 19546 271 1 2 . 1 1 2 2 LEU CA C 2 54.353 54.353 54.414 -0.061 19546 272 1 2 . 1 1 2 2 LEU CB C 2 42.514 42.514 42.661 -0.147 19546 273 1 2 . 1 1 2 2 LEU H H 2 8.494 8.494 8.364 0.130 19546 274 1 2 . 1 1 3 3 ILE N N 3 130.774 130.774 123.405 7.369 19546 275 1 2 . 1 1 3 3 ILE HA H 3 5.071 5.071 4.460 0.611 19546 276 1 2 . 1 1 3 3 ILE CA C 3 60.083 60.083 61.016 -0.933 19546 277 1 2 . 1 1 3 3 ILE CB C 3 37.710 37.710 39.758 -2.048 19546 278 1 2 . 1 1 3 3 ILE H H 3 10.676 10.676 8.345 2.331 19546 279 1 2 . 1 1 4 4 LEU N N 4 122.204 122.204 125.908 -3.704 19546 280 1 2 . 1 1 4 4 LEU HA H 4 4.535 4.535 4.674 -0.139 19546 281 1 2 . 1 1 4 4 LEU CA C 4 52.555 52.555 53.762 -1.207 19546 282 1 2 . 1 1 4 4 LEU CB C 4 47.177 47.177 45.043 2.134 19546 283 1 2 . 1 1 4 4 LEU H H 4 8.587 8.587 8.219 0.368 19546 284 1 2 . 1 1 5 5 THR N N 5 119.940 119.940 116.531 3.409 19546 285 1 2 . 1 1 5 5 THR HA H 5 5.476 5.476 4.681 0.795 19546 286 1 2 . 1 1 5 5 THR CA C 5 61.923 61.923 61.556 0.367 19546 287 1 2 . 1 1 5 5 THR CB C 5 68.963 68.963 69.817 -0.854 19546 288 1 2 . 1 1 5 5 THR H H 5 9.161 9.161 8.268 0.893 19546 289 1 2 . 1 1 6 6 ARG N N 6 126.862 126.862 122.293 4.569 19546 290 1 2 . 1 1 6 6 ARG HA H 6 5.023 5.023 4.977 0.046 19546 291 1 2 . 1 1 6 6 ARG CA C 6 55.325 55.325 54.662 0.663 19546 292 1 2 . 1 1 6 6 ARG CB C 6 38.076 38.076 33.609 4.467 19546 293 1 2 . 1 1 6 6 ARG H H 6 9.619 9.619 8.420 1.199 19546 294 1 2 . 1 1 7 7 LYS N N 7 123.703 123.703 120.119 3.584 19546 295 1 2 . 1 1 7 7 LYS HA H 7 5.069 5.069 4.575 0.494 19546 296 1 2 . 1 1 7 7 LYS CA C 7 54.427 54.427 55.042 -0.615 19546 297 1 2 . 1 1 7 7 LYS CB C 7 34.217 34.217 35.438 -1.222 19546 298 1 2 . 1 1 7 7 LYS H H 7 9.450 9.450 8.437 1.013 19546 299 1 2 . 1 1 8 8 VAL N N 8 118.617 118.617 120.953 -2.336 19546 300 1 2 . 1 1 8 8 VAL HA H 8 3.315 3.315 3.732 -0.417 19546 301 1 2 . 1 1 8 8 VAL CA C 8 66.050 66.050 63.651 2.399 19546 302 1 2 . 1 1 8 8 VAL CB C 8 31.491 31.491 30.676 0.815 19546 303 1 2 . 1 1 8 8 VAL H H 8 7.741 7.741 8.494 -0.753 19546 304 1 2 . 1 1 9 9 GLY N N 9 116.069 116.069 115.424 0.645 19546 305 1 2 . 1 1 9 9 GLY CA C 9 44.524 44.524 44.788 -0.264 19546 306 1 2 . 1 1 9 9 GLY H H 9 9.269 9.269 8.898 0.371 19546 307 1 2 . 1 1 10 10 GLU N N 10 119.364 119.364 119.459 -0.095 19546 308 1 2 . 1 1 10 10 GLU HA H 10 4.891 4.891 4.797 0.094 19546 309 1 2 . 1 1 10 10 GLU CA C 10 55.788 55.788 54.231 1.557 19546 310 1 2 . 1 1 10 10 GLU CB C 10 32.873 32.873 33.215 -0.342 19546 311 1 2 . 1 1 10 10 GLU H H 10 8.426 8.426 7.981 0.445 19546 312 1 2 . 1 1 11 11 SER N N 11 112.510 112.510 113.380 -0.870 19546 313 1 2 . 1 1 11 11 SER HA H 11 5.882 5.882 5.380 0.502 19546 314 1 2 . 1 1 11 11 SER CA C 11 57.997 57.997 57.158 0.839 19546 315 1 2 . 1 1 11 11 SER CB C 11 66.884 66.884 66.092 0.792 19546 316 1 2 . 1 1 11 11 SER H H 11 8.672 8.672 8.367 0.305 19546 317 1 2 . 1 1 12 12 ILE N N 12 124.592 124.592 119.796 4.796 19546 318 1 2 . 1 1 12 12 ILE HA H 12 4.365 4.365 4.514 -0.149 19546 319 1 2 . 1 1 12 12 ILE CA C 12 59.814 59.814 59.333 0.481 19546 320 1 2 . 1 1 12 12 ILE CB C 12 42.616 42.616 42.371 0.245 19546 321 1 2 . 1 1 12 12 ILE H H 12 9.265 9.265 8.897 0.368 19546 322 1 2 . 1 1 13 13 ASN N N 13 126.127 126.127 120.143 5.984 19546 323 1 2 . 1 1 13 13 ASN HA H 13 4.947 4.947 5.242 -0.295 19546 324 1 2 . 1 1 13 13 ASN CA C 13 53.571 53.571 52.664 0.906 19546 325 1 2 . 1 1 13 13 ASN CB C 13 41.491 41.491 41.924 -0.433 19546 326 1 2 . 1 1 13 13 ASN H H 13 9.318 9.318 8.488 0.830 19546 327 1 2 . 1 1 14 14 ILE N N 14 123.984 123.984 121.130 2.854 19546 328 1 2 . 1 1 14 14 ILE HA H 14 4.475 4.475 4.481 -0.006 19546 329 1 2 . 1 1 14 14 ILE CA C 14 60.582 60.582 60.611 -0.029 19546 330 1 2 . 1 1 14 14 ILE CB C 14 38.573 38.573 41.752 -3.179 19546 331 1 2 . 1 1 14 14 ILE H H 14 8.392 8.392 8.600 -0.208 19546 332 1 2 . 1 1 15 15 GLY N N 15 115.533 115.533 112.684 2.849 19546 333 1 2 . 1 1 15 15 GLY CA C 15 45.893 45.893 46.109 -0.216 19546 334 1 2 . 1 1 15 15 GLY H H 15 9.148 9.148 8.630 0.518 19546 335 1 2 . 1 1 16 16 ASP N N 16 121.039 121.039 122.712 -1.673 19546 336 1 2 . 1 1 16 16 ASP HA H 16 4.969 4.969 4.726 0.243 19546 337 1 2 . 1 1 16 16 ASP CA C 16 55.256 55.256 54.258 0.998 19546 338 1 2 . 1 1 16 16 ASP CB C 16 42.342 42.342 41.533 0.809 19546 339 1 2 . 1 1 16 16 ASP H H 16 8.809 8.809 8.374 0.435 19546 340 1 2 . 1 1 17 17 ASP N N 17 115.538 115.538 119.960 -4.422 19546 341 1 2 . 1 1 17 17 ASP HA H 17 4.749 4.749 4.873 -0.124 19546 342 1 2 . 1 1 17 17 ASP CA C 17 54.134 54.134 54.195 -0.061 19546 343 1 2 . 1 1 17 17 ASP CB C 17 42.578 42.578 43.547 -0.969 19546 344 1 2 . 1 1 17 17 ASP H H 17 8.140 8.140 8.083 0.057 19546 345 1 2 . 1 1 18 18 ILE N N 18 118.702 118.702 119.769 -1.067 19546 346 1 2 . 1 1 18 18 ILE HA H 18 5.239 5.239 4.848 0.391 19546 347 1 2 . 1 1 18 18 ILE CA C 18 60.037 60.037 60.443 -0.406 19546 348 1 2 . 1 1 18 18 ILE CB C 18 39.755 39.755 41.910 -2.155 19546 349 1 2 . 1 1 18 18 ILE H H 18 7.183 7.183 7.682 -0.499 19546 350 1 2 . 1 1 19 19 THR N N 19 122.806 122.806 122.560 0.246 19546 351 1 2 . 1 1 19 19 THR HA H 19 5.110 5.110 4.994 0.116 19546 352 1 2 . 1 1 19 19 THR CA C 19 60.845 60.845 61.571 -0.726 19546 353 1 2 . 1 1 19 19 THR CB C 19 71.703 71.703 71.957 -0.254 19546 354 1 2 . 1 1 19 19 THR H H 19 8.993 8.993 8.335 0.658 19546 355 1 2 . 1 1 20 20 ILE N N 20 123.302 123.302 122.935 0.367 19546 356 1 2 . 1 1 20 20 ILE HA H 20 4.891 4.891 4.947 -0.056 19546 357 1 2 . 1 1 20 20 ILE CA C 20 58.946 58.946 58.842 0.104 19546 358 1 2 . 1 1 20 20 ILE CB C 20 40.382 40.382 41.574 -1.192 19546 359 1 2 . 1 1 20 20 ILE H H 20 8.918 8.918 9.140 -0.222 19546 360 1 2 . 1 1 21 21 THR N N 21 123.751 123.751 119.085 4.666 19546 361 1 2 . 1 1 21 21 THR HA H 21 4.837 4.837 5.002 -0.165 19546 362 1 2 . 1 1 21 21 THR CA C 21 61.523 61.523 61.740 -0.217 19546 363 1 2 . 1 1 21 21 THR CB C 21 71.939 71.939 72.349 -0.410 19546 364 1 2 . 1 1 21 21 THR H H 21 9.398 9.398 8.788 0.610 19546 365 1 2 . 1 1 22 22 ILE N N 22 125.736 125.736 125.424 0.312 19546 366 1 2 . 1 1 22 22 ILE HA H 22 4.119 4.119 4.527 -0.408 19546 367 1 2 . 1 1 22 22 ILE CA C 22 59.111 59.111 58.704 0.407 19546 368 1 2 . 1 1 22 22 ILE CB C 22 33.929 33.929 38.757 -4.828 19546 369 1 2 . 1 1 22 22 ILE H H 22 8.053 8.053 8.581 -0.528 19546 370 1 2 . 1 1 23 23 LEU N N 23 129.499 129.499 129.474 0.025 19546 371 1 2 . 1 1 23 23 LEU HA H 23 4.529 4.529 4.513 0.016 19546 372 1 2 . 1 1 23 23 LEU CA C 23 55.574 55.574 55.609 -0.035 19546 373 1 2 . 1 1 23 23 LEU CB C 23 41.923 41.923 42.139 -0.216 19546 374 1 2 . 1 1 23 23 LEU H H 23 8.890 8.890 8.404 0.486 19546 375 1 2 . 1 1 24 24 GLY N N 24 104.858 104.858 103.599 1.259 19546 376 1 2 . 1 1 24 24 GLY CA C 24 46.001 46.001 45.290 0.711 19546 377 1 2 . 1 1 24 24 GLY H H 24 7.565 7.565 7.717 -0.152 19546 378 1 2 . 1 1 25 25 VAL N N 25 120.794 120.794 118.719 2.075 19546 379 1 2 . 1 1 25 25 VAL HA H 25 4.670 4.670 4.579 0.091 19546 380 1 2 . 1 1 25 25 VAL CA C 25 61.459 61.459 59.352 2.107 19546 381 1 2 . 1 1 25 25 VAL CB C 25 35.692 35.692 35.362 0.330 19546 382 1 2 . 1 1 25 25 VAL H H 25 8.477 8.477 8.284 0.193 19546 383 1 2 . 1 1 26 26 SER N N 26 122.022 122.022 121.832 0.190 19546 384 1 2 . 1 1 26 26 SER HA H 26 4.691 4.691 4.724 -0.033 19546 385 1 2 . 1 1 26 26 SER CA C 26 56.322 56.322 57.856 -1.534 19546 386 1 2 . 1 1 26 26 SER CB C 26 63.731 63.731 63.627 0.104 19546 387 1 2 . 1 1 26 26 SER H H 26 8.619 8.619 8.672 -0.053 19546 388 1 2 . 1 1 27 27 GLY N N 27 118.775 118.775 112.504 6.271 19546 389 1 2 . 1 1 27 27 GLY CA C 27 47.626 47.626 46.275 1.351 19546 390 1 2 . 1 1 27 27 GLY H H 27 8.969 8.969 8.284 0.685 19546 391 1 2 . 1 1 28 28 GLN N N 28 124.390 124.390 125.171 -0.781 19546 392 1 2 . 1 1 28 28 GLN HA H 28 4.324 4.324 4.237 0.087 19546 393 1 2 . 1 1 28 28 GLN CA C 28 54.980 54.980 56.852 -1.872 19546 394 1 2 . 1 1 28 28 GLN CB C 28 29.553 29.553 29.132 0.421 19546 395 1 2 . 1 1 28 28 GLN H H 28 8.761 8.761 8.705 0.056 19546 396 1 2 . 1 1 29 29 GLN N N 29 116.885 116.885 117.898 -1.013 19546 397 1 2 . 1 1 29 29 GLN HA H 29 4.651 4.651 4.598 0.053 19546 398 1 2 . 1 1 29 29 GLN CA C 29 55.364 55.364 54.779 0.585 19546 399 1 2 . 1 1 29 29 GLN CB C 29 31.289 31.289 32.045 -0.757 19546 400 1 2 . 1 1 29 29 GLN H H 29 8.307 8.307 7.654 0.653 19546 401 1 2 . 1 1 30 30 VAL N N 30 123.399 123.399 118.319 5.080 19546 402 1 2 . 1 1 30 30 VAL HA H 30 4.602 4.602 4.329 0.273 19546 403 1 2 . 1 1 30 30 VAL CA C 30 60.710 60.710 61.339 -0.629 19546 404 1 2 . 1 1 30 30 VAL CB C 30 34.560 34.560 35.541 -0.981 19546 405 1 2 . 1 1 30 30 VAL H H 30 9.103 9.103 8.265 0.838 19546 406 1 2 . 1 1 31 31 ARG N N 31 128.722 128.722 125.124 3.598 19546 407 1 2 . 1 1 31 31 ARG HA H 31 4.659 4.659 4.834 -0.175 19546 408 1 2 . 1 1 31 31 ARG CA C 31 55.755 55.755 55.061 0.694 19546 409 1 2 . 1 1 31 31 ARG CB C 31 31.871 31.871 33.111 -1.240 19546 410 1 2 . 1 1 31 31 ARG H H 31 8.750 8.750 8.696 0.054 19546 411 1 2 . 1 1 32 32 ILE N N 32 127.760 127.760 119.297 8.463 19546 412 1 2 . 1 1 32 32 ILE HA H 32 4.652 4.652 4.998 -0.346 19546 413 1 2 . 1 1 32 32 ILE CA C 32 59.738 59.738 58.731 1.007 19546 414 1 2 . 1 1 32 32 ILE CB C 32 41.082 41.082 42.075 -0.993 19546 415 1 2 . 1 1 32 32 ILE H H 32 9.069 9.069 8.453 0.616 19546 416 1 2 . 1 1 33 33 GLY N N 33 112.098 112.098 109.705 2.393 19546 417 1 2 . 1 1 33 33 GLY CA C 33 44.565 44.565 43.483 1.082 19546 418 1 2 . 1 1 33 33 GLY H H 33 9.075 9.075 8.721 0.354 19546 419 1 2 . 1 1 34 34 ILE N N 34 124.988 124.988 120.144 4.844 19546 420 1 2 . 1 1 34 34 ILE HA H 34 4.863 4.863 4.377 0.486 19546 421 1 2 . 1 1 34 34 ILE CA C 34 61.053 61.053 60.843 0.210 19546 422 1 2 . 1 1 34 34 ILE CB C 34 41.339 41.339 41.686 -0.347 19546 423 1 2 . 1 1 34 34 ILE H H 34 9.654 9.654 8.268 1.386 19546 424 1 2 . 1 1 35 35 ASN N N 35 129.566 129.566 125.838 3.728 19546 425 1 2 . 1 1 35 35 ASN HA H 35 5.102 5.102 4.971 0.131 19546 426 1 2 . 1 1 35 35 ASN CA C 35 52.166 52.166 52.527 -0.361 19546 427 1 2 . 1 1 35 35 ASN CB C 35 40.191 40.191 38.911 1.280 19546 428 1 2 . 1 1 35 35 ASN H H 35 9.013 9.013 9.076 -0.063 19546 429 1 2 . 1 1 36 36 ALA N N 36 125.469 125.469 124.345 1.124 19546 430 1 2 . 1 1 36 36 ALA HA H 36 5.066 5.066 5.220 -0.154 19546 431 1 2 . 1 1 36 36 ALA CA C 36 49.445 49.445 48.929 0.516 19546 432 1 2 . 1 1 36 36 ALA CB C 36 19.884 19.884 20.586 -0.702 19546 433 1 2 . 1 1 36 36 ALA H H 36 8.205 8.205 7.676 0.529 19546 434 1 2 . 1 1 37 37 PRO HA H 37 4.415 4.415 4.564 -0.149 19546 435 1 2 . 1 1 37 37 PRO CA C 37 62.961 62.961 62.334 0.627 19546 436 1 2 . 1 1 37 37 PRO CB C 37 32.374 32.374 32.783 -0.409 19546 437 1 2 . 1 1 38 38 LYS N N 38 121.088 121.088 120.261 0.827 19546 438 1 2 . 1 1 38 38 LYS HA H 38 3.794 3.794 4.142 -0.348 19546 439 1 2 . 1 1 38 38 LYS CA C 38 58.747 58.747 57.828 0.919 19546 440 1 2 . 1 1 38 38 LYS CB C 38 31.857 31.857 32.097 -0.240 19546 441 1 2 . 1 1 38 38 LYS H H 38 8.581 8.581 8.564 0.017 19546 442 1 2 . 1 1 39 39 ASP N N 39 113.879 113.879 117.379 -3.500 19546 443 1 2 . 1 1 39 39 ASP HA H 39 4.364 4.364 4.546 -0.182 19546 444 1 2 . 1 1 39 39 ASP CA C 39 54.027 54.027 55.535 -1.508 19546 445 1 2 . 1 1 39 39 ASP CB C 39 39.749 39.749 41.096 -1.347 19546 446 1 2 . 1 1 39 39 ASP H H 39 8.164 8.164 8.064 0.100 19546 447 1 2 . 1 1 40 40 VAL N N 40 122.755 122.755 115.713 7.042 19546 448 1 2 . 1 1 40 40 VAL HA H 40 3.975 3.975 4.409 -0.434 19546 449 1 2 . 1 1 40 40 VAL CA C 40 61.937 61.937 60.017 1.920 19546 450 1 2 . 1 1 40 40 VAL CB C 40 31.941 31.941 34.544 -2.603 19546 451 1 2 . 1 1 40 40 VAL H H 40 8.053 8.053 7.484 0.569 19546 452 1 2 . 1 1 41 41 ALA N N 41 133.718 133.718 127.669 6.049 19546 453 1 2 . 1 1 41 41 ALA HA H 41 4.445 4.445 4.469 -0.024 19546 454 1 2 . 1 1 41 41 ALA CA C 41 52.269 52.269 52.621 -0.352 19546 455 1 2 . 1 1 41 41 ALA CB C 41 19.053 19.053 19.554 -0.501 19546 456 1 2 . 1 1 41 41 ALA H H 41 8.927 8.927 8.322 0.605 19546 457 1 2 . 1 1 42 42 VAL N N 42 125.374 125.374 122.003 3.371 19546 458 1 2 . 1 1 42 42 VAL HA H 42 4.384 4.384 4.239 0.145 19546 459 1 2 . 1 1 42 42 VAL CA C 42 60.485 60.485 62.420 -1.935 19546 460 1 2 . 1 1 42 42 VAL CB C 42 33.636 33.636 33.501 0.135 19546 461 1 2 . 1 1 42 42 VAL H H 42 7.899 7.899 7.928 -0.029 19546 462 1 2 . 1 1 43 43 HIS N N 43 118.709 118.709 124.911 -6.202 19546 463 1 2 . 1 1 43 43 HIS HA H 43 5.505 5.505 4.982 0.523 19546 464 1 2 . 1 1 43 43 HIS CA C 43 53.758 53.758 55.010 -1.252 19546 465 1 2 . 1 1 43 43 HIS CB C 43 37.671 37.671 33.042 4.629 19546 466 1 2 . 1 1 43 43 HIS H H 43 8.580 8.580 8.197 0.383 19546 467 1 2 . 1 1 44 44 ARG N N 44 121.721 121.721 121.025 0.696 19546 468 1 2 . 1 1 44 44 ARG HA H 44 3.923 3.923 4.402 -0.479 19546 469 1 2 . 1 1 44 44 ARG CA C 44 58.392 58.392 56.039 2.353 19546 470 1 2 . 1 1 44 44 ARG H H 44 8.396 8.396 8.655 -0.259 19546 471 1 2 . 1 1 45 45 GLU N N 45 126.002 126.002 121.370 4.632 19546 472 1 2 . 1 1 45 45 GLU HA H 45 4.384 4.384 4.064 0.320 19546 473 1 2 . 1 1 45 45 GLU CA C 45 59.792 59.792 59.072 0.721 19546 474 1 2 . 1 1 45 45 GLU CB C 45 29.945 29.945 29.127 0.818 19546 475 1 2 . 1 1 45 45 GLU H H 45 7.892 7.892 8.977 -1.085 19546 476 1 2 . 1 1 46 46 GLU N N 46 118.201 118.201 117.857 0.344 19546 477 1 2 . 1 1 46 46 GLU HA H 46 4.212 4.212 4.194 0.018 19546 478 1 2 . 1 1 46 46 GLU CA C 46 58.717 58.717 58.142 0.576 19546 479 1 2 . 1 1 46 46 GLU CB C 46 27.031 27.031 29.473 -2.442 19546 480 1 2 . 1 1 46 46 GLU H H 46 10.804 10.804 8.582 2.222 19546 481 1 2 . 1 1 47 47 ILE N N 47 122.295 122.295 116.335 5.960 19546 482 1 2 . 1 1 47 47 ILE HA H 47 3.526 3.526 4.124 -0.598 19546 483 1 2 . 1 1 47 47 ILE CA C 47 60.756 60.756 62.168 -1.412 19546 484 1 2 . 1 1 47 47 ILE CB C 47 34.770 34.770 40.456 -5.686 19546 485 1 2 . 1 1 47 47 ILE H H 47 7.177 7.177 7.546 -0.369 19546 486 1 2 . 1 1 48 48 TYR N N 48 122.359 122.359 121.983 0.376 19546 487 1 2 . 1 1 48 48 TYR HA H 48 3.542 3.542 3.899 -0.357 19546 488 1 2 . 1 1 48 48 TYR CA C 48 62.507 62.507 63.096 -0.589 19546 489 1 2 . 1 1 48 48 TYR CB C 48 39.069 39.069 38.896 0.173 19546 490 1 2 . 1 1 48 48 TYR H H 48 7.949 7.949 8.938 -0.989 19546 491 1 2 . 1 1 49 49 GLN N N 49 115.099 115.099 115.094 0.005 19546 492 1 2 . 1 1 49 49 GLN HA H 49 3.821 3.821 4.086 -0.265 19546 493 1 2 . 1 1 49 49 GLN CA C 49 58.633 58.633 57.600 1.033 19546 494 1 2 . 1 1 49 49 GLN CB C 49 28.038 28.038 28.809 -0.771 19546 495 1 2 . 1 1 49 49 GLN H H 49 8.597 8.597 8.135 0.462 19546 496 1 2 . 1 1 50 50 ARG N N 50 120.635 120.635 117.646 2.989 19546 497 1 2 . 1 1 50 50 ARG HA H 50 3.938 3.938 4.228 -0.290 19546 498 1 2 . 1 1 50 50 ARG CA C 50 59.616 59.616 57.812 1.804 19546 499 1 2 . 1 1 50 50 ARG CB C 50 30.462 30.462 30.656 -0.194 19546 500 1 2 . 1 1 50 50 ARG H H 50 7.134 7.134 7.382 -0.248 19546 501 1 2 . 1 1 51 51 ILE N N 51 120.637 120.637 122.585 -1.948 19546 502 1 2 . 1 1 51 51 ILE HA H 51 3.521 3.521 3.637 -0.116 19546 503 1 2 . 1 1 51 51 ILE CA C 51 65.010 65.010 64.685 0.325 19546 504 1 2 . 1 1 51 51 ILE CB C 51 37.878 37.878 37.880 -0.002 19546 505 1 2 . 1 1 51 51 ILE H H 51 7.694 7.694 7.881 -0.187 19546 506 1 2 . 1 1 52 52 GLN N N 52 118.700 118.700 115.920 2.780 19546 507 1 2 . 1 1 52 52 GLN HA H 52 3.768 3.768 4.009 -0.241 19546 508 1 2 . 1 1 52 52 GLN CA C 52 57.616 57.616 55.886 1.730 19546 509 1 2 . 1 1 52 52 GLN CB C 52 28.095 28.095 27.204 0.891 19546 510 1 2 . 1 1 52 52 GLN H H 52 7.910 7.910 7.607 0.303 19546 511 1 2 . 1 1 53 53 ALA N N 53 120.010 120.010 120.987 -0.977 19546 512 1 2 . 1 1 53 53 ALA HA H 53 4.185 4.185 4.196 -0.011 19546 513 1 2 . 1 1 53 53 ALA CA C 53 53.071 53.071 52.848 0.223 19546 514 1 2 . 1 1 53 53 ALA CB C 53 18.546 18.546 19.462 -0.916 19546 515 1 2 . 1 1 53 53 ALA H H 53 7.554 7.554 7.024 0.530 19546 516 1 2 . 1 1 54 54 GLY N N 54 105.898 105.898 104.598 1.300 19546 517 1 2 . 1 1 54 54 GLY CA C 54 45.605 45.605 44.810 0.795 19546 518 1 2 . 1 1 54 54 GLY H H 54 7.692 7.692 7.777 -0.085 19546 519 1 2 . 1 1 55 55 LEU N N 55 120.793 120.793 117.658 3.135 19546 520 1 2 . 1 1 55 55 LEU HA H 55 4.352 4.352 5.111 -0.759 19546 521 1 2 . 1 1 55 55 LEU CA C 55 54.964 54.964 53.580 1.385 19546 522 1 2 . 1 1 55 55 LEU CB C 55 42.006 42.006 42.772 -0.766 19546 523 1 2 . 1 1 55 55 LEU H H 55 7.669 7.669 7.690 -0.021 19546 524 1 2 . 1 1 56 56 THR N N 56 114.129 114.129 109.936 4.193 19546 525 1 2 . 1 1 56 56 THR HA H 56 4.278 4.278 4.449 -0.171 19546 526 1 2 . 1 1 56 56 THR CA C 56 61.492 61.492 60.296 1.196 19546 527 1 2 . 1 1 56 56 THR CB C 56 69.957 69.957 70.794 -0.837 19546 528 1 2 . 1 1 56 56 THR H H 56 7.928 7.928 7.863 0.065 19546 529 1 2 . 1 1 57 57 ALA N N 57 127.280 127.280 123.384 3.896 19546 530 1 2 . 1 1 57 57 ALA HA H 57 4.178 4.178 4.362 -0.184 19546 531 1 2 . 1 1 57 57 ALA CA C 57 50.568 50.568 51.173 -0.605 19546 532 1 2 . 1 1 57 57 ALA CB C 57 17.738 17.738 18.585 -0.847 19546 533 1 2 . 1 1 57 57 ALA H H 57 8.110 8.110 8.280 -0.170 19546 534 1 2 . 1 1 58 58 PRO HA H 58 4.279 4.279 4.368 -0.089 19546 535 1 2 . 1 1 58 58 PRO CA C 58 63.266 63.266 63.563 -0.297 19546 536 1 2 . 1 1 58 58 PRO CB C 58 31.983 31.983 32.227 -0.244 19546 537 1 3 . 1 1 2 2 LEU N N 2 124.364 124.364 125.777 -1.413 19546 538 1 3 . 1 1 2 2 LEU HA H 2 4.547 4.547 4.707 -0.160 19546 539 1 3 . 1 1 2 2 LEU CA C 2 54.353 54.353 54.480 -0.127 19546 540 1 3 . 1 1 2 2 LEU CB C 2 42.514 42.514 42.640 -0.126 19546 541 1 3 . 1 1 2 2 LEU H H 2 8.494 8.494 8.390 0.104 19546 542 1 3 . 1 1 3 3 ILE N N 3 130.774 130.774 123.278 7.496 19546 543 1 3 . 1 1 3 3 ILE HA H 3 5.071 5.071 4.367 0.704 19546 544 1 3 . 1 1 3 3 ILE CA C 3 60.083 60.083 60.881 -0.798 19546 545 1 3 . 1 1 3 3 ILE CB C 3 37.710 37.710 39.858 -2.148 19546 546 1 3 . 1 1 3 3 ILE H H 3 10.676 10.676 8.342 2.334 19546 547 1 3 . 1 1 4 4 LEU N N 4 122.204 122.204 125.418 -3.214 19546 548 1 3 . 1 1 4 4 LEU HA H 4 4.535 4.535 4.708 -0.173 19546 549 1 3 . 1 1 4 4 LEU CA C 4 52.555 52.555 53.716 -1.161 19546 550 1 3 . 1 1 4 4 LEU CB C 4 47.177 47.177 44.896 2.281 19546 551 1 3 . 1 1 4 4 LEU H H 4 8.587 8.587 8.265 0.322 19546 552 1 3 . 1 1 5 5 THR N N 5 119.940 119.940 117.446 2.494 19546 553 1 3 . 1 1 5 5 THR HA H 5 5.476 5.476 4.748 0.728 19546 554 1 3 . 1 1 5 5 THR CA C 5 61.923 61.923 61.478 0.445 19546 555 1 3 . 1 1 5 5 THR CB C 5 68.963 68.963 69.536 -0.573 19546 556 1 3 . 1 1 5 5 THR H H 5 9.161 9.161 8.253 0.908 19546 557 1 3 . 1 1 6 6 ARG N N 6 126.862 126.862 121.334 5.528 19546 558 1 3 . 1 1 6 6 ARG HA H 6 5.023 5.023 5.194 -0.171 19546 559 1 3 . 1 1 6 6 ARG CA C 6 55.325 55.325 54.485 0.840 19546 560 1 3 . 1 1 6 6 ARG CB C 6 38.076 38.076 33.673 4.403 19546 561 1 3 . 1 1 6 6 ARG H H 6 9.619 9.619 8.406 1.213 19546 562 1 3 . 1 1 7 7 LYS N N 7 123.703 123.703 120.339 3.364 19546 563 1 3 . 1 1 7 7 LYS HA H 7 5.069 5.069 4.590 0.479 19546 564 1 3 . 1 1 7 7 LYS CA C 7 54.427 54.427 54.923 -0.496 19546 565 1 3 . 1 1 7 7 LYS CB C 7 34.217 34.217 35.108 -0.891 19546 566 1 3 . 1 1 7 7 LYS H H 7 9.450 9.450 8.607 0.843 19546 567 1 3 . 1 1 8 8 VAL N N 8 118.617 118.617 121.776 -3.159 19546 568 1 3 . 1 1 8 8 VAL HA H 8 3.315 3.315 3.734 -0.419 19546 569 1 3 . 1 1 8 8 VAL CA C 8 66.050 66.050 64.408 1.642 19546 570 1 3 . 1 1 8 8 VAL CB C 8 31.491 31.491 29.890 1.601 19546 571 1 3 . 1 1 8 8 VAL H H 8 7.741 7.741 8.590 -0.849 19546 572 1 3 . 1 1 9 9 GLY N N 9 116.069 116.069 116.672 -0.603 19546 573 1 3 . 1 1 9 9 GLY CA C 9 44.524 44.524 44.734 -0.210 19546 574 1 3 . 1 1 9 9 GLY H H 9 9.269 9.269 9.036 0.233 19546 575 1 3 . 1 1 10 10 GLU N N 10 119.364 119.364 121.119 -1.755 19546 576 1 3 . 1 1 10 10 GLU HA H 10 4.891 4.891 4.660 0.231 19546 577 1 3 . 1 1 10 10 GLU CA C 10 55.788 55.788 55.637 0.151 19546 578 1 3 . 1 1 10 10 GLU CB C 10 32.873 32.873 31.250 1.623 19546 579 1 3 . 1 1 10 10 GLU H H 10 8.426 8.426 8.515 -0.089 19546 580 1 3 . 1 1 11 11 SER N N 11 112.510 112.510 112.868 -0.358 19546 581 1 3 . 1 1 11 11 SER HA H 11 5.882 5.882 5.312 0.570 19546 582 1 3 . 1 1 11 11 SER CA C 11 57.997 57.997 57.344 0.653 19546 583 1 3 . 1 1 11 11 SER CB C 11 66.884 66.884 66.401 0.483 19546 584 1 3 . 1 1 11 11 SER H H 11 8.672 8.672 8.333 0.339 19546 585 1 3 . 1 1 12 12 ILE N N 12 124.592 124.592 120.840 3.752 19546 586 1 3 . 1 1 12 12 ILE HA H 12 4.365 4.365 4.635 -0.270 19546 587 1 3 . 1 1 12 12 ILE CA C 12 59.814 59.814 59.115 0.698 19546 588 1 3 . 1 1 12 12 ILE CB C 12 42.616 42.616 42.457 0.159 19546 589 1 3 . 1 1 12 12 ILE H H 12 9.265 9.265 8.960 0.305 19546 590 1 3 . 1 1 13 13 ASN N N 13 126.127 126.127 121.678 4.449 19546 591 1 3 . 1 1 13 13 ASN HA H 13 4.947 4.947 5.158 -0.211 19546 592 1 3 . 1 1 13 13 ASN CA C 13 53.571 53.571 52.126 1.446 19546 593 1 3 . 1 1 13 13 ASN CB C 13 41.491 41.491 41.653 -0.162 19546 594 1 3 . 1 1 13 13 ASN H H 13 9.318 9.318 8.408 0.910 19546 595 1 3 . 1 1 14 14 ILE N N 14 123.984 123.984 123.082 0.902 19546 596 1 3 . 1 1 14 14 ILE HA H 14 4.475 4.475 4.455 0.020 19546 597 1 3 . 1 1 14 14 ILE CA C 14 60.582 60.582 60.188 0.394 19546 598 1 3 . 1 1 14 14 ILE CB C 14 38.573 38.573 40.972 -2.399 19546 599 1 3 . 1 1 14 14 ILE H H 14 8.392 8.392 8.760 -0.368 19546 600 1 3 . 1 1 15 15 GLY N N 15 115.533 115.533 114.098 1.435 19546 601 1 3 . 1 1 15 15 GLY CA C 15 45.893 45.893 46.205 -0.312 19546 602 1 3 . 1 1 15 15 GLY H H 15 9.148 9.148 8.548 0.600 19546 603 1 3 . 1 1 16 16 ASP N N 16 121.039 121.039 120.470 0.569 19546 604 1 3 . 1 1 16 16 ASP HA H 16 4.969 4.969 4.655 0.314 19546 605 1 3 . 1 1 16 16 ASP CA C 16 55.256 55.256 54.134 1.122 19546 606 1 3 . 1 1 16 16 ASP CB C 16 42.342 42.342 41.740 0.602 19546 607 1 3 . 1 1 16 16 ASP H H 16 8.809 8.809 8.378 0.431 19546 608 1 3 . 1 1 17 17 ASP N N 17 115.538 115.538 120.196 -4.658 19546 609 1 3 . 1 1 17 17 ASP HA H 17 4.749 4.749 4.872 -0.123 19546 610 1 3 . 1 1 17 17 ASP CA C 17 54.134 54.134 54.117 0.017 19546 611 1 3 . 1 1 17 17 ASP CB C 17 42.578 42.578 43.572 -0.994 19546 612 1 3 . 1 1 17 17 ASP H H 17 8.140 8.140 7.993 0.147 19546 613 1 3 . 1 1 18 18 ILE N N 18 118.702 118.702 119.920 -1.218 19546 614 1 3 . 1 1 18 18 ILE HA H 18 5.239 5.239 4.807 0.432 19546 615 1 3 . 1 1 18 18 ILE CA C 18 60.037 60.037 60.330 -0.293 19546 616 1 3 . 1 1 18 18 ILE CB C 18 39.755 39.755 42.060 -2.305 19546 617 1 3 . 1 1 18 18 ILE H H 18 7.183 7.183 7.713 -0.530 19546 618 1 3 . 1 1 19 19 THR N N 19 122.806 122.806 121.814 0.992 19546 619 1 3 . 1 1 19 19 THR HA H 19 5.110 5.110 5.041 0.069 19546 620 1 3 . 1 1 19 19 THR CA C 19 60.845 60.845 61.329 -0.484 19546 621 1 3 . 1 1 19 19 THR CB C 19 71.703 71.703 72.295 -0.592 19546 622 1 3 . 1 1 19 19 THR H H 19 8.993 8.993 8.302 0.691 19546 623 1 3 . 1 1 20 20 ILE N N 20 123.302 123.302 121.776 1.526 19546 624 1 3 . 1 1 20 20 ILE HA H 20 4.891 4.891 5.015 -0.124 19546 625 1 3 . 1 1 20 20 ILE CA C 20 58.946 58.946 59.130 -0.184 19546 626 1 3 . 1 1 20 20 ILE CB C 20 40.382 40.382 41.949 -1.567 19546 627 1 3 . 1 1 20 20 ILE H H 20 8.918 8.918 9.079 -0.161 19546 628 1 3 . 1 1 21 21 THR N N 21 123.751 123.751 118.984 4.767 19546 629 1 3 . 1 1 21 21 THR HA H 21 4.837 4.837 5.006 -0.169 19546 630 1 3 . 1 1 21 21 THR CA C 21 61.523 61.523 61.420 0.103 19546 631 1 3 . 1 1 21 21 THR CB C 21 71.939 71.939 72.558 -0.619 19546 632 1 3 . 1 1 21 21 THR H H 21 9.398 9.398 8.819 0.579 19546 633 1 3 . 1 1 22 22 ILE N N 22 125.736 125.736 126.339 -0.603 19546 634 1 3 . 1 1 22 22 ILE HA H 22 4.119 4.119 4.535 -0.416 19546 635 1 3 . 1 1 22 22 ILE CA C 22 59.111 59.111 58.522 0.589 19546 636 1 3 . 1 1 22 22 ILE CB C 22 33.929 33.929 38.142 -4.213 19546 637 1 3 . 1 1 22 22 ILE H H 22 8.053 8.053 8.297 -0.244 19546 638 1 3 . 1 1 23 23 LEU N N 23 129.499 129.499 128.679 0.820 19546 639 1 3 . 1 1 23 23 LEU HA H 23 4.529 4.529 4.326 0.203 19546 640 1 3 . 1 1 23 23 LEU CA C 23 55.574 55.574 56.100 -0.526 19546 641 1 3 . 1 1 23 23 LEU CB C 23 41.923 41.923 41.883 0.040 19546 642 1 3 . 1 1 23 23 LEU H H 23 8.890 8.890 8.430 0.460 19546 643 1 3 . 1 1 24 24 GLY N N 24 104.858 104.858 103.407 1.451 19546 644 1 3 . 1 1 24 24 GLY CA C 24 46.001 46.001 45.168 0.833 19546 645 1 3 . 1 1 24 24 GLY H H 24 7.565 7.565 7.750 -0.185 19546 646 1 3 . 1 1 25 25 VAL N N 25 120.794 120.794 115.822 4.972 19546 647 1 3 . 1 1 25 25 VAL HA H 25 4.670 4.670 4.674 -0.004 19546 648 1 3 . 1 1 25 25 VAL CA C 25 61.459 61.459 58.934 2.525 19546 649 1 3 . 1 1 25 25 VAL CB C 25 35.692 35.692 35.032 0.660 19546 650 1 3 . 1 1 25 25 VAL H H 25 8.477 8.477 8.283 0.194 19546 651 1 3 . 1 1 26 26 SER N N 26 122.022 122.022 117.370 4.652 19546 652 1 3 . 1 1 26 26 SER HA H 26 4.691 4.691 4.609 0.082 19546 653 1 3 . 1 1 26 26 SER CA C 26 56.322 56.322 57.972 -1.650 19546 654 1 3 . 1 1 26 26 SER CB C 26 63.731 63.731 63.617 0.113 19546 655 1 3 . 1 1 26 26 SER H H 26 8.619 8.619 8.701 -0.082 19546 656 1 3 . 1 1 27 27 GLY N N 27 118.775 118.775 112.038 6.737 19546 657 1 3 . 1 1 27 27 GLY CA C 27 47.626 47.626 45.600 2.026 19546 658 1 3 . 1 1 27 27 GLY H H 27 8.969 8.969 8.149 0.820 19546 659 1 3 . 1 1 28 28 GLN N N 28 124.390 124.390 124.512 -0.122 19546 660 1 3 . 1 1 28 28 GLN HA H 28 4.324 4.324 4.245 0.079 19546 661 1 3 . 1 1 28 28 GLN CA C 28 54.980 54.980 56.512 -1.532 19546 662 1 3 . 1 1 28 28 GLN CB C 28 29.553 29.553 28.938 0.615 19546 663 1 3 . 1 1 28 28 GLN H H 28 8.761 8.761 8.650 0.111 19546 664 1 3 . 1 1 29 29 GLN N N 29 116.885 116.885 118.493 -1.608 19546 665 1 3 . 1 1 29 29 GLN HA H 29 4.651 4.651 4.530 0.121 19546 666 1 3 . 1 1 29 29 GLN CA C 29 55.364 55.364 55.337 0.027 19546 667 1 3 . 1 1 29 29 GLN CB C 29 31.289 31.289 31.084 0.205 19546 668 1 3 . 1 1 29 29 GLN H H 29 8.307 8.307 7.582 0.725 19546 669 1 3 . 1 1 30 30 VAL N N 30 123.399 123.399 119.167 4.232 19546 670 1 3 . 1 1 30 30 VAL HA H 30 4.602 4.602 4.229 0.373 19546 671 1 3 . 1 1 30 30 VAL CA C 30 60.710 60.710 61.606 -0.896 19546 672 1 3 . 1 1 30 30 VAL CB C 30 34.560 34.560 35.311 -0.751 19546 673 1 3 . 1 1 30 30 VAL H H 30 9.103 9.103 8.331 0.772 19546 674 1 3 . 1 1 31 31 ARG N N 31 128.722 128.722 125.995 2.727 19546 675 1 3 . 1 1 31 31 ARG HA H 31 4.659 4.659 4.861 -0.202 19546 676 1 3 . 1 1 31 31 ARG CA C 31 55.755 55.755 54.398 1.357 19546 677 1 3 . 1 1 31 31 ARG CB C 31 31.871 31.871 31.638 0.233 19546 678 1 3 . 1 1 31 31 ARG H H 31 8.750 8.750 8.593 0.157 19546 679 1 3 . 1 1 32 32 ILE N N 32 127.760 127.760 119.365 8.395 19546 680 1 3 . 1 1 32 32 ILE HA H 32 4.652 4.652 5.225 -0.573 19546 681 1 3 . 1 1 32 32 ILE CA C 32 59.738 59.738 58.626 1.112 19546 682 1 3 . 1 1 32 32 ILE CB C 32 41.082 41.082 42.333 -1.251 19546 683 1 3 . 1 1 32 32 ILE H H 32 9.069 9.069 8.523 0.546 19546 684 1 3 . 1 1 33 33 GLY N N 33 112.098 112.098 108.598 3.500 19546 685 1 3 . 1 1 33 33 GLY CA C 33 44.565 44.565 44.211 0.354 19546 686 1 3 . 1 1 33 33 GLY H H 33 9.075 9.075 8.448 0.627 19546 687 1 3 . 1 1 34 34 ILE N N 34 124.988 124.988 119.326 5.662 19546 688 1 3 . 1 1 34 34 ILE HA H 34 4.863 4.863 4.664 0.199 19546 689 1 3 . 1 1 34 34 ILE CA C 34 61.053 61.053 60.204 0.849 19546 690 1 3 . 1 1 34 34 ILE CB C 34 41.339 41.339 41.813 -0.474 19546 691 1 3 . 1 1 34 34 ILE H H 34 9.654 9.654 8.220 1.434 19546 692 1 3 . 1 1 35 35 ASN N N 35 129.566 129.566 124.754 4.812 19546 693 1 3 . 1 1 35 35 ASN HA H 35 5.102 5.102 4.901 0.201 19546 694 1 3 . 1 1 35 35 ASN CA C 35 52.166 52.166 52.261 -0.095 19546 695 1 3 . 1 1 35 35 ASN CB C 35 40.191 40.191 39.269 0.922 19546 696 1 3 . 1 1 35 35 ASN H H 35 9.013 9.013 9.013 -0.000 19546 697 1 3 . 1 1 36 36 ALA N N 36 125.469 125.469 125.188 0.281 19546 698 1 3 . 1 1 36 36 ALA HA H 36 5.066 5.066 5.219 -0.153 19546 699 1 3 . 1 1 36 36 ALA CA C 36 49.445 49.445 49.060 0.385 19546 700 1 3 . 1 1 36 36 ALA CB C 36 19.884 19.884 20.802 -0.917 19546 701 1 3 . 1 1 36 36 ALA H H 36 8.205 8.205 7.719 0.486 19546 702 1 3 . 1 1 37 37 PRO HA H 37 4.415 4.415 4.568 -0.153 19546 703 1 3 . 1 1 37 37 PRO CA C 37 62.961 62.961 62.312 0.649 19546 704 1 3 . 1 1 37 37 PRO CB C 37 32.374 32.374 32.784 -0.410 19546 705 1 3 . 1 1 38 38 LYS N N 38 121.088 121.088 119.988 1.100 19546 706 1 3 . 1 1 38 38 LYS HA H 38 3.794 3.794 4.131 -0.337 19546 707 1 3 . 1 1 38 38 LYS CA C 38 58.747 58.747 57.816 0.931 19546 708 1 3 . 1 1 38 38 LYS CB C 38 31.857 31.857 32.069 -0.211 19546 709 1 3 . 1 1 38 38 LYS H H 38 8.581 8.581 8.553 0.028 19546 710 1 3 . 1 1 39 39 ASP N N 39 113.879 113.879 117.482 -3.603 19546 711 1 3 . 1 1 39 39 ASP HA H 39 4.364 4.364 4.533 -0.169 19546 712 1 3 . 1 1 39 39 ASP CA C 39 54.027 54.027 55.435 -1.408 19546 713 1 3 . 1 1 39 39 ASP CB C 39 39.749 39.749 41.038 -1.289 19546 714 1 3 . 1 1 39 39 ASP H H 39 8.164 8.164 8.062 0.102 19546 715 1 3 . 1 1 40 40 VAL N N 40 122.755 122.755 115.838 6.917 19546 716 1 3 . 1 1 40 40 VAL HA H 40 3.975 3.975 4.441 -0.466 19546 717 1 3 . 1 1 40 40 VAL CA C 40 61.937 61.937 59.676 2.261 19546 718 1 3 . 1 1 40 40 VAL CB C 40 31.941 31.941 34.085 -2.144 19546 719 1 3 . 1 1 40 40 VAL H H 40 8.053 8.053 7.544 0.509 19546 720 1 3 . 1 1 41 41 ALA N N 41 133.718 133.718 127.995 5.723 19546 721 1 3 . 1 1 41 41 ALA HA H 41 4.445 4.445 4.368 0.077 19546 722 1 3 . 1 1 41 41 ALA CA C 41 52.269 52.269 52.470 -0.201 19546 723 1 3 . 1 1 41 41 ALA CB C 41 19.053 19.053 19.314 -0.261 19546 724 1 3 . 1 1 41 41 ALA H H 41 8.927 8.927 8.311 0.616 19546 725 1 3 . 1 1 42 42 VAL N N 42 125.374 125.374 122.876 2.498 19546 726 1 3 . 1 1 42 42 VAL HA H 42 4.384 4.384 4.331 0.053 19546 727 1 3 . 1 1 42 42 VAL CA C 42 60.485 60.485 62.266 -1.781 19546 728 1 3 . 1 1 42 42 VAL CB C 42 33.636 33.636 33.490 0.146 19546 729 1 3 . 1 1 42 42 VAL H H 42 7.899 7.899 7.883 0.016 19546 730 1 3 . 1 1 43 43 HIS N N 43 118.709 118.709 124.276 -5.567 19546 731 1 3 . 1 1 43 43 HIS HA H 43 5.505 5.505 5.165 0.340 19546 732 1 3 . 1 1 43 43 HIS CA C 43 53.758 53.758 54.840 -1.082 19546 733 1 3 . 1 1 43 43 HIS CB C 43 37.671 37.671 32.758 4.913 19546 734 1 3 . 1 1 43 43 HIS H H 43 8.580 8.580 8.501 0.079 19546 735 1 3 . 1 1 44 44 ARG N N 44 121.721 121.721 120.485 1.236 19546 736 1 3 . 1 1 44 44 ARG HA H 44 3.923 3.923 4.591 -0.668 19546 737 1 3 . 1 1 44 44 ARG CA C 44 58.392 58.392 54.571 3.821 19546 738 1 3 . 1 1 44 44 ARG H H 44 8.396 8.396 8.863 -0.467 19546 739 1 3 . 1 1 45 45 GLU N N 45 126.002 126.002 122.381 3.621 19546 740 1 3 . 1 1 45 45 GLU HA H 45 4.384 4.384 4.045 0.339 19546 741 1 3 . 1 1 45 45 GLU CA C 45 59.792 59.792 59.195 0.597 19546 742 1 3 . 1 1 45 45 GLU CB C 45 29.945 29.945 28.915 1.030 19546 743 1 3 . 1 1 45 45 GLU H H 45 7.892 7.892 8.877 -0.985 19546 744 1 3 . 1 1 46 46 GLU N N 46 118.201 118.201 117.851 0.350 19546 745 1 3 . 1 1 46 46 GLU HA H 46 4.212 4.212 4.253 -0.041 19546 746 1 3 . 1 1 46 46 GLU CA C 46 58.717 58.717 58.045 0.671 19546 747 1 3 . 1 1 46 46 GLU CB C 46 27.031 27.031 29.105 -2.074 19546 748 1 3 . 1 1 46 46 GLU H H 46 10.804 10.804 8.772 2.032 19546 749 1 3 . 1 1 47 47 ILE N N 47 122.295 122.295 117.922 4.373 19546 750 1 3 . 1 1 47 47 ILE HA H 47 3.526 3.526 4.154 -0.628 19546 751 1 3 . 1 1 47 47 ILE CA C 47 60.756 60.756 62.075 -1.319 19546 752 1 3 . 1 1 47 47 ILE CB C 47 34.770 34.770 40.470 -5.700 19546 753 1 3 . 1 1 47 47 ILE H H 47 7.177 7.177 7.912 -0.735 19546 754 1 3 . 1 1 48 48 TYR N N 48 122.359 122.359 121.928 0.431 19546 755 1 3 . 1 1 48 48 TYR HA H 48 3.542 3.542 3.918 -0.376 19546 756 1 3 . 1 1 48 48 TYR CA C 48 62.507 62.507 62.762 -0.255 19546 757 1 3 . 1 1 48 48 TYR CB C 48 39.069 39.069 38.845 0.224 19546 758 1 3 . 1 1 48 48 TYR H H 48 7.949 7.949 8.683 -0.734 19546 759 1 3 . 1 1 49 49 GLN N N 49 115.099 115.099 115.513 -0.414 19546 760 1 3 . 1 1 49 49 GLN HA H 49 3.821 3.821 4.091 -0.270 19546 761 1 3 . 1 1 49 49 GLN CA C 49 58.633 58.633 57.665 0.968 19546 762 1 3 . 1 1 49 49 GLN CB C 49 28.038 28.038 28.787 -0.749 19546 763 1 3 . 1 1 49 49 GLN H H 49 8.597 8.597 8.119 0.478 19546 764 1 3 . 1 1 50 50 ARG N N 50 120.635 120.635 117.737 2.898 19546 765 1 3 . 1 1 50 50 ARG HA H 50 3.938 3.938 4.233 -0.295 19546 766 1 3 . 1 1 50 50 ARG CA C 50 59.616 59.616 57.853 1.763 19546 767 1 3 . 1 1 50 50 ARG CB C 50 30.462 30.462 30.726 -0.264 19546 768 1 3 . 1 1 50 50 ARG H H 50 7.134 7.134 7.616 -0.482 19546 769 1 3 . 1 1 51 51 ILE N N 51 120.637 120.637 122.181 -1.544 19546 770 1 3 . 1 1 51 51 ILE HA H 51 3.521 3.521 3.657 -0.136 19546 771 1 3 . 1 1 51 51 ILE CA C 51 65.010 65.010 64.574 0.436 19546 772 1 3 . 1 1 51 51 ILE CB C 51 37.878 37.878 37.884 -0.006 19546 773 1 3 . 1 1 51 51 ILE H H 51 7.694 7.694 7.541 0.153 19546 774 1 3 . 1 1 52 52 GLN N N 52 118.700 118.700 116.119 2.581 19546 775 1 3 . 1 1 52 52 GLN HA H 52 3.768 3.768 4.007 -0.239 19546 776 1 3 . 1 1 52 52 GLN CA C 52 57.616 57.616 55.923 1.693 19546 777 1 3 . 1 1 52 52 GLN CB C 52 28.095 28.095 27.243 0.852 19546 778 1 3 . 1 1 52 52 GLN H H 52 7.910 7.910 7.570 0.340 19546 779 1 3 . 1 1 53 53 ALA N N 53 120.010 120.010 120.979 -0.969 19546 780 1 3 . 1 1 53 53 ALA HA H 53 4.185 4.185 4.204 -0.019 19546 781 1 3 . 1 1 53 53 ALA CA C 53 53.071 53.071 52.819 0.252 19546 782 1 3 . 1 1 53 53 ALA CB C 53 18.546 18.546 19.418 -0.872 19546 783 1 3 . 1 1 53 53 ALA H H 53 7.554 7.554 7.028 0.526 19546 784 1 3 . 1 1 54 54 GLY N N 54 105.898 105.898 104.655 1.243 19546 785 1 3 . 1 1 54 54 GLY CA C 54 45.605 45.605 44.838 0.767 19546 786 1 3 . 1 1 54 54 GLY H H 54 7.692 7.692 7.775 -0.083 19546 787 1 3 . 1 1 55 55 LEU N N 55 120.793 120.793 117.716 3.077 19546 788 1 3 . 1 1 55 55 LEU HA H 55 4.352 4.352 5.109 -0.757 19546 789 1 3 . 1 1 55 55 LEU CA C 55 54.964 54.964 53.581 1.383 19546 790 1 3 . 1 1 55 55 LEU CB C 55 42.006 42.006 42.798 -0.792 19546 791 1 3 . 1 1 55 55 LEU H H 55 7.669 7.669 7.721 -0.051 19546 792 1 3 . 1 1 56 56 THR N N 56 114.129 114.129 110.048 4.081 19546 793 1 3 . 1 1 56 56 THR HA H 56 4.278 4.278 4.457 -0.179 19546 794 1 3 . 1 1 56 56 THR CA C 56 61.492 61.492 60.309 1.183 19546 795 1 3 . 1 1 56 56 THR CB C 56 69.957 69.957 70.724 -0.767 19546 796 1 3 . 1 1 56 56 THR H H 56 7.928 7.928 7.866 0.062 19546 797 1 3 . 1 1 57 57 ALA N N 57 127.280 127.280 124.208 3.072 19546 798 1 3 . 1 1 57 57 ALA HA H 57 4.178 4.178 4.376 -0.198 19546 799 1 3 . 1 1 57 57 ALA CA C 57 50.568 50.568 51.644 -1.076 19546 800 1 3 . 1 1 57 57 ALA CB C 57 17.738 17.738 18.188 -0.450 19546 801 1 3 . 1 1 57 57 ALA H H 57 8.110 8.110 8.189 -0.079 19546 802 1 3 . 1 1 58 58 PRO HA H 58 4.279 4.279 4.562 -0.283 19546 803 1 3 . 1 1 58 58 PRO CA C 58 63.266 63.266 62.502 0.764 19546 804 1 3 . 1 1 58 58 PRO CB C 58 31.983 31.983 32.566 -0.583 19546 805 1 4 . 1 1 2 2 LEU N N 2 124.364 124.364 127.730 -3.366 19546 806 1 4 . 1 1 2 2 LEU HA H 2 4.547 4.547 4.700 -0.153 19546 807 1 4 . 1 1 2 2 LEU CA C 2 54.353 54.353 54.407 -0.054 19546 808 1 4 . 1 1 2 2 LEU CB C 2 42.514 42.514 42.017 0.497 19546 809 1 4 . 1 1 2 2 LEU H H 2 8.494 8.494 8.505 -0.011 19546 810 1 4 . 1 1 3 3 ILE N N 3 130.774 130.774 126.031 4.743 19546 811 1 4 . 1 1 3 3 ILE HA H 3 5.071 5.071 4.205 0.866 19546 812 1 4 . 1 1 3 3 ILE CA C 3 60.083 60.083 61.683 -1.600 19546 813 1 4 . 1 1 3 3 ILE CB C 3 37.710 37.710 38.758 -1.048 19546 814 1 4 . 1 1 3 3 ILE H H 3 10.676 10.676 8.282 2.394 19546 815 1 4 . 1 1 4 4 LEU N N 4 122.204 122.204 125.733 -3.529 19546 816 1 4 . 1 1 4 4 LEU HA H 4 4.535 4.535 4.683 -0.148 19546 817 1 4 . 1 1 4 4 LEU CA C 4 52.555 52.555 53.812 -1.257 19546 818 1 4 . 1 1 4 4 LEU CB C 4 47.177 47.177 44.938 2.239 19546 819 1 4 . 1 1 4 4 LEU H H 4 8.587 8.587 8.179 0.408 19546 820 1 4 . 1 1 5 5 THR N N 5 119.940 119.940 116.567 3.373 19546 821 1 4 . 1 1 5 5 THR HA H 5 5.476 5.476 4.687 0.789 19546 822 1 4 . 1 1 5 5 THR CA C 5 61.923 61.923 61.597 0.326 19546 823 1 4 . 1 1 5 5 THR CB C 5 68.963 68.963 69.440 -0.477 19546 824 1 4 . 1 1 5 5 THR H H 5 9.161 9.161 8.284 0.877 19546 825 1 4 . 1 1 6 6 ARG N N 6 126.862 126.862 124.519 2.343 19546 826 1 4 . 1 1 6 6 ARG HA H 6 5.023 5.023 4.556 0.467 19546 827 1 4 . 1 1 6 6 ARG CA C 6 55.325 55.325 55.256 0.069 19546 828 1 4 . 1 1 6 6 ARG CB C 6 38.076 38.076 33.201 4.875 19546 829 1 4 . 1 1 6 6 ARG H H 6 9.619 9.619 8.362 1.257 19546 830 1 4 . 1 1 7 7 LYS N N 7 123.703 123.703 121.005 2.698 19546 831 1 4 . 1 1 7 7 LYS HA H 7 5.069 5.069 4.603 0.466 19546 832 1 4 . 1 1 7 7 LYS CA C 7 54.427 54.427 55.043 -0.616 19546 833 1 4 . 1 1 7 7 LYS CB C 7 34.217 34.217 35.048 -0.832 19546 834 1 4 . 1 1 7 7 LYS H H 7 9.450 9.450 8.434 1.016 19546 835 1 4 . 1 1 8 8 VAL N N 8 118.617 118.617 121.688 -3.071 19546 836 1 4 . 1 1 8 8 VAL HA H 8 3.315 3.315 3.739 -0.424 19546 837 1 4 . 1 1 8 8 VAL CA C 8 66.050 66.050 63.848 2.202 19546 838 1 4 . 1 1 8 8 VAL CB C 8 31.491 31.491 30.757 0.734 19546 839 1 4 . 1 1 8 8 VAL H H 8 7.741 7.741 8.531 -0.790 19546 840 1 4 . 1 1 9 9 GLY N N 9 116.069 116.069 115.658 0.411 19546 841 1 4 . 1 1 9 9 GLY CA C 9 44.524 44.524 44.796 -0.272 19546 842 1 4 . 1 1 9 9 GLY H H 9 9.269 9.269 9.098 0.171 19546 843 1 4 . 1 1 10 10 GLU N N 10 119.364 119.364 121.146 -1.782 19546 844 1 4 . 1 1 10 10 GLU HA H 10 4.891 4.891 4.650 0.241 19546 845 1 4 . 1 1 10 10 GLU CA C 10 55.788 55.788 55.501 0.287 19546 846 1 4 . 1 1 10 10 GLU CB C 10 32.873 32.873 31.300 1.573 19546 847 1 4 . 1 1 10 10 GLU H H 10 8.426 8.426 8.254 0.172 19546 848 1 4 . 1 1 11 11 SER N N 11 112.510 112.510 112.161 0.349 19546 849 1 4 . 1 1 11 11 SER HA H 11 5.882 5.882 5.257 0.625 19546 850 1 4 . 1 1 11 11 SER CA C 11 57.997 57.997 56.934 1.063 19546 851 1 4 . 1 1 11 11 SER CB C 11 66.884 66.884 66.252 0.632 19546 852 1 4 . 1 1 11 11 SER H H 11 8.672 8.672 8.274 0.398 19546 853 1 4 . 1 1 12 12 ILE N N 12 124.592 124.592 118.008 6.584 19546 854 1 4 . 1 1 12 12 ILE HA H 12 4.365 4.365 4.572 -0.207 19546 855 1 4 . 1 1 12 12 ILE CA C 12 59.814 59.814 59.051 0.763 19546 856 1 4 . 1 1 12 12 ILE CB C 12 42.616 42.616 42.507 0.109 19546 857 1 4 . 1 1 12 12 ILE H H 12 9.265 9.265 8.856 0.409 19546 858 1 4 . 1 1 13 13 ASN N N 13 126.127 126.127 121.366 4.761 19546 859 1 4 . 1 1 13 13 ASN HA H 13 4.947 4.947 5.192 -0.245 19546 860 1 4 . 1 1 13 13 ASN CA C 13 53.571 53.571 52.247 1.324 19546 861 1 4 . 1 1 13 13 ASN CB C 13 41.491 41.491 41.641 -0.150 19546 862 1 4 . 1 1 13 13 ASN H H 13 9.318 9.318 8.377 0.941 19546 863 1 4 . 1 1 14 14 ILE N N 14 123.984 123.984 122.870 1.114 19546 864 1 4 . 1 1 14 14 ILE HA H 14 4.475 4.475 4.456 0.019 19546 865 1 4 . 1 1 14 14 ILE CA C 14 60.582 60.582 60.756 -0.174 19546 866 1 4 . 1 1 14 14 ILE CB C 14 38.573 38.573 41.757 -3.184 19546 867 1 4 . 1 1 14 14 ILE H H 14 8.392 8.392 8.666 -0.274 19546 868 1 4 . 1 1 15 15 GLY N N 15 115.533 115.533 112.557 2.976 19546 869 1 4 . 1 1 15 15 GLY CA C 15 45.893 45.893 46.488 -0.595 19546 870 1 4 . 1 1 15 15 GLY H H 15 9.148 9.148 8.580 0.568 19546 871 1 4 . 1 1 16 16 ASP N N 16 121.039 121.039 121.799 -0.760 19546 872 1 4 . 1 1 16 16 ASP HA H 16 4.969 4.969 4.729 0.240 19546 873 1 4 . 1 1 16 16 ASP CA C 16 55.256 55.256 54.380 0.876 19546 874 1 4 . 1 1 16 16 ASP CB C 16 42.342 42.342 41.620 0.722 19546 875 1 4 . 1 1 16 16 ASP H H 16 8.809 8.809 8.285 0.524 19546 876 1 4 . 1 1 17 17 ASP N N 17 115.538 115.538 119.217 -3.679 19546 877 1 4 . 1 1 17 17 ASP HA H 17 4.749 4.749 4.794 -0.045 19546 878 1 4 . 1 1 17 17 ASP CA C 17 54.134 54.134 54.120 0.014 19546 879 1 4 . 1 1 17 17 ASP CB C 17 42.578 42.578 43.597 -1.019 19546 880 1 4 . 1 1 17 17 ASP H H 17 8.140 8.140 7.988 0.152 19546 881 1 4 . 1 1 18 18 ILE N N 18 118.702 118.702 120.112 -1.410 19546 882 1 4 . 1 1 18 18 ILE HA H 18 5.239 5.239 4.769 0.470 19546 883 1 4 . 1 1 18 18 ILE CA C 18 60.037 60.037 60.353 -0.316 19546 884 1 4 . 1 1 18 18 ILE CB C 18 39.755 39.755 41.883 -2.128 19546 885 1 4 . 1 1 18 18 ILE H H 18 7.183 7.183 7.755 -0.572 19546 886 1 4 . 1 1 19 19 THR N N 19 122.806 122.806 122.183 0.623 19546 887 1 4 . 1 1 19 19 THR HA H 19 5.110 5.110 5.016 0.094 19546 888 1 4 . 1 1 19 19 THR CA C 19 60.845 60.845 61.429 -0.584 19546 889 1 4 . 1 1 19 19 THR CB C 19 71.703 71.703 72.276 -0.573 19546 890 1 4 . 1 1 19 19 THR H H 19 8.993 8.993 8.247 0.746 19546 891 1 4 . 1 1 20 20 ILE N N 20 123.302 123.302 122.267 1.035 19546 892 1 4 . 1 1 20 20 ILE HA H 20 4.891 4.891 4.794 0.097 19546 893 1 4 . 1 1 20 20 ILE CA C 20 58.946 58.946 59.186 -0.240 19546 894 1 4 . 1 1 20 20 ILE CB C 20 40.382 40.382 41.921 -1.539 19546 895 1 4 . 1 1 20 20 ILE H H 20 8.918 8.918 9.093 -0.175 19546 896 1 4 . 1 1 21 21 THR N N 21 123.751 123.751 119.185 4.566 19546 897 1 4 . 1 1 21 21 THR HA H 21 4.837 4.837 4.982 -0.145 19546 898 1 4 . 1 1 21 21 THR CA C 21 61.523 61.523 61.455 0.068 19546 899 1 4 . 1 1 21 21 THR CB C 21 71.939 71.939 72.488 -0.549 19546 900 1 4 . 1 1 21 21 THR H H 21 9.398 9.398 8.858 0.540 19546 901 1 4 . 1 1 22 22 ILE N N 22 125.736 125.736 126.598 -0.862 19546 902 1 4 . 1 1 22 22 ILE HA H 22 4.119 4.119 4.532 -0.413 19546 903 1 4 . 1 1 22 22 ILE CA C 22 59.111 59.111 58.626 0.485 19546 904 1 4 . 1 1 22 22 ILE CB C 22 33.929 33.929 38.360 -4.431 19546 905 1 4 . 1 1 22 22 ILE H H 22 8.053 8.053 8.318 -0.265 19546 906 1 4 . 1 1 23 23 LEU N N 23 129.499 129.499 129.224 0.275 19546 907 1 4 . 1 1 23 23 LEU HA H 23 4.529 4.529 4.332 0.197 19546 908 1 4 . 1 1 23 23 LEU CA C 23 55.574 55.574 56.168 -0.594 19546 909 1 4 . 1 1 23 23 LEU CB C 23 41.923 41.923 42.041 -0.118 19546 910 1 4 . 1 1 23 23 LEU H H 23 8.890 8.890 8.449 0.441 19546 911 1 4 . 1 1 24 24 GLY N N 24 104.858 104.858 103.407 1.451 19546 912 1 4 . 1 1 24 24 GLY CA C 24 46.001 46.001 45.268 0.733 19546 913 1 4 . 1 1 24 24 GLY H H 24 7.565 7.565 7.680 -0.115 19546 914 1 4 . 1 1 25 25 VAL N N 25 120.794 120.794 118.724 2.070 19546 915 1 4 . 1 1 25 25 VAL HA H 25 4.670 4.670 4.538 0.132 19546 916 1 4 . 1 1 25 25 VAL CA C 25 61.459 61.459 60.046 1.413 19546 917 1 4 . 1 1 25 25 VAL CB C 25 35.692 35.692 35.362 0.330 19546 918 1 4 . 1 1 25 25 VAL H H 25 8.477 8.477 8.304 0.173 19546 919 1 4 . 1 1 26 26 SER N N 26 122.022 122.022 122.214 -0.192 19546 920 1 4 . 1 1 26 26 SER HA H 26 4.691 4.691 4.686 0.005 19546 921 1 4 . 1 1 26 26 SER CA C 26 56.322 56.322 57.912 -1.590 19546 922 1 4 . 1 1 26 26 SER CB C 26 63.731 63.731 63.900 -0.169 19546 923 1 4 . 1 1 26 26 SER H H 26 8.619 8.619 8.834 -0.215 19546 924 1 4 . 1 1 27 27 GLY N N 27 118.775 118.775 112.634 6.141 19546 925 1 4 . 1 1 27 27 GLY CA C 27 47.626 47.626 45.755 1.871 19546 926 1 4 . 1 1 27 27 GLY H H 27 8.969 8.969 8.302 0.667 19546 927 1 4 . 1 1 28 28 GLN N N 28 124.390 124.390 124.592 -0.202 19546 928 1 4 . 1 1 28 28 GLN HA H 28 4.324 4.324 4.196 0.128 19546 929 1 4 . 1 1 28 28 GLN CA C 28 54.980 54.980 56.584 -1.604 19546 930 1 4 . 1 1 28 28 GLN CB C 28 29.553 29.553 29.007 0.546 19546 931 1 4 . 1 1 28 28 GLN H H 28 8.761 8.761 8.707 0.054 19546 932 1 4 . 1 1 29 29 GLN N N 29 116.885 116.885 117.642 -0.757 19546 933 1 4 . 1 1 29 29 GLN HA H 29 4.651 4.651 4.658 -0.007 19546 934 1 4 . 1 1 29 29 GLN CA C 29 55.364 55.364 54.617 0.747 19546 935 1 4 . 1 1 29 29 GLN CB C 29 31.289 31.289 32.406 -1.117 19546 936 1 4 . 1 1 29 29 GLN H H 29 8.307 8.307 7.436 0.871 19546 937 1 4 . 1 1 30 30 VAL N N 30 123.399 123.399 119.056 4.343 19546 938 1 4 . 1 1 30 30 VAL HA H 30 4.602 4.602 4.282 0.320 19546 939 1 4 . 1 1 30 30 VAL CA C 30 60.710 60.710 61.367 -0.657 19546 940 1 4 . 1 1 30 30 VAL CB C 30 34.560 34.560 35.570 -1.010 19546 941 1 4 . 1 1 30 30 VAL H H 30 9.103 9.103 8.377 0.726 19546 942 1 4 . 1 1 31 31 ARG N N 31 128.722 128.722 125.181 3.541 19546 943 1 4 . 1 1 31 31 ARG HA H 31 4.659 4.659 4.854 -0.195 19546 944 1 4 . 1 1 31 31 ARG CA C 31 55.755 55.755 54.352 1.403 19546 945 1 4 . 1 1 31 31 ARG CB C 31 31.871 31.871 32.507 -0.636 19546 946 1 4 . 1 1 31 31 ARG H H 31 8.750 8.750 8.695 0.055 19546 947 1 4 . 1 1 32 32 ILE N N 32 127.760 127.760 119.022 8.738 19546 948 1 4 . 1 1 32 32 ILE HA H 32 4.652 4.652 5.081 -0.429 19546 949 1 4 . 1 1 32 32 ILE CA C 32 59.738 59.738 58.700 1.038 19546 950 1 4 . 1 1 32 32 ILE CB C 32 41.082 41.082 42.374 -1.292 19546 951 1 4 . 1 1 32 32 ILE H H 32 9.069 9.069 8.460 0.609 19546 952 1 4 . 1 1 33 33 GLY N N 33 112.098 112.098 108.582 3.516 19546 953 1 4 . 1 1 33 33 GLY CA C 33 44.565 44.565 43.700 0.865 19546 954 1 4 . 1 1 33 33 GLY H H 33 9.075 9.075 8.655 0.420 19546 955 1 4 . 1 1 34 34 ILE N N 34 124.988 124.988 119.274 5.714 19546 956 1 4 . 1 1 34 34 ILE HA H 34 4.863 4.863 4.501 0.362 19546 957 1 4 . 1 1 34 34 ILE CA C 34 61.053 61.053 60.804 0.249 19546 958 1 4 . 1 1 34 34 ILE CB C 34 41.339 41.339 41.793 -0.454 19546 959 1 4 . 1 1 34 34 ILE H H 34 9.654 9.654 8.242 1.412 19546 960 1 4 . 1 1 35 35 ASN N N 35 129.566 129.566 124.694 4.872 19546 961 1 4 . 1 1 35 35 ASN HA H 35 5.102 5.102 4.978 0.124 19546 962 1 4 . 1 1 35 35 ASN CA C 35 52.166 52.166 52.745 -0.579 19546 963 1 4 . 1 1 35 35 ASN CB C 35 40.191 40.191 39.132 1.059 19546 964 1 4 . 1 1 35 35 ASN H H 35 9.013 9.013 9.027 -0.014 19546 965 1 4 . 1 1 36 36 ALA N N 36 125.469 125.469 123.684 1.785 19546 966 1 4 . 1 1 36 36 ALA HA H 36 5.066 5.066 5.269 -0.203 19546 967 1 4 . 1 1 36 36 ALA CA C 36 49.445 49.445 48.757 0.688 19546 968 1 4 . 1 1 36 36 ALA CB C 36 19.884 19.884 20.469 -0.585 19546 969 1 4 . 1 1 36 36 ALA H H 36 8.205 8.205 7.768 0.437 19546 970 1 4 . 1 1 37 37 PRO HA H 37 4.415 4.415 4.623 -0.208 19546 971 1 4 . 1 1 37 37 PRO CA C 37 62.961 62.961 62.427 0.534 19546 972 1 4 . 1 1 37 37 PRO CB C 37 32.374 32.374 32.443 -0.069 19546 973 1 4 . 1 1 38 38 LYS N N 38 121.088 121.088 120.583 0.505 19546 974 1 4 . 1 1 38 38 LYS HA H 38 3.794 3.794 4.114 -0.320 19546 975 1 4 . 1 1 38 38 LYS CA C 38 58.747 58.747 58.060 0.687 19546 976 1 4 . 1 1 38 38 LYS CB C 38 31.857 31.857 32.250 -0.393 19546 977 1 4 . 1 1 38 38 LYS H H 38 8.581 8.581 8.636 -0.055 19546 978 1 4 . 1 1 39 39 ASP N N 39 113.879 113.879 117.441 -3.562 19546 979 1 4 . 1 1 39 39 ASP HA H 39 4.364 4.364 4.622 -0.258 19546 980 1 4 . 1 1 39 39 ASP CA C 39 54.027 54.027 55.016 -0.989 19546 981 1 4 . 1 1 39 39 ASP CB C 39 39.749 39.749 41.236 -1.488 19546 982 1 4 . 1 1 39 39 ASP H H 39 8.164 8.164 8.005 0.159 19546 983 1 4 . 1 1 40 40 VAL N N 40 122.755 122.755 116.164 6.591 19546 984 1 4 . 1 1 40 40 VAL HA H 40 3.975 3.975 4.476 -0.501 19546 985 1 4 . 1 1 40 40 VAL CA C 40 61.937 61.937 60.458 1.479 19546 986 1 4 . 1 1 40 40 VAL CB C 40 31.941 31.941 34.266 -2.325 19546 987 1 4 . 1 1 40 40 VAL H H 40 8.053 8.053 7.548 0.505 19546 988 1 4 . 1 1 41 41 ALA N N 41 133.718 133.718 127.400 6.318 19546 989 1 4 . 1 1 41 41 ALA HA H 41 4.445 4.445 4.388 0.057 19546 990 1 4 . 1 1 41 41 ALA CA C 41 52.269 52.269 52.328 -0.059 19546 991 1 4 . 1 1 41 41 ALA CB C 41 19.053 19.053 19.284 -0.231 19546 992 1 4 . 1 1 41 41 ALA H H 41 8.927 8.927 8.315 0.612 19546 993 1 4 . 1 1 42 42 VAL N N 42 125.374 125.374 124.348 1.026 19546 994 1 4 . 1 1 42 42 VAL HA H 42 4.384 4.384 4.379 0.005 19546 995 1 4 . 1 1 42 42 VAL CA C 42 60.485 60.485 63.254 -2.769 19546 996 1 4 . 1 1 42 42 VAL CB C 42 33.636 33.636 33.635 0.001 19546 997 1 4 . 1 1 42 42 VAL H H 42 7.899 7.899 8.553 -0.654 19546 998 1 4 . 1 1 43 43 HIS N N 43 118.709 118.709 125.151 -6.442 19546 999 1 4 . 1 1 43 43 HIS HA H 43 5.505 5.505 5.052 0.453 19546 1000 1 4 . 1 1 43 43 HIS CA C 43 53.758 53.758 55.248 -1.490 19546 1001 1 4 . 1 1 43 43 HIS CB C 43 37.671 37.671 32.260 5.411 19546 1002 1 4 . 1 1 43 43 HIS H H 43 8.580 8.580 8.163 0.417 19546 1003 1 4 . 1 1 44 44 ARG N N 44 121.721 121.721 120.991 0.730 19546 1004 1 4 . 1 1 44 44 ARG HA H 44 3.923 3.923 4.407 -0.484 19546 1005 1 4 . 1 1 44 44 ARG CA C 44 58.392 58.392 55.994 2.398 19546 1006 1 4 . 1 1 44 44 ARG H H 44 8.396 8.396 8.652 -0.256 19546 1007 1 4 . 1 1 45 45 GLU N N 45 126.002 126.002 121.241 4.761 19546 1008 1 4 . 1 1 45 45 GLU HA H 45 4.384 4.384 4.058 0.326 19546 1009 1 4 . 1 1 45 45 GLU CA C 45 59.792 59.792 59.110 0.682 19546 1010 1 4 . 1 1 45 45 GLU CB C 45 29.945 29.945 29.098 0.847 19546 1011 1 4 . 1 1 45 45 GLU H H 45 7.892 7.892 8.963 -1.071 19546 1012 1 4 . 1 1 46 46 GLU N N 46 118.201 118.201 118.188 0.013 19546 1013 1 4 . 1 1 46 46 GLU HA H 46 4.212 4.212 4.190 0.022 19546 1014 1 4 . 1 1 46 46 GLU CA C 46 58.717 58.717 58.369 0.348 19546 1015 1 4 . 1 1 46 46 GLU CB C 46 27.031 27.031 29.445 -2.414 19546 1016 1 4 . 1 1 46 46 GLU H H 46 10.804 10.804 8.637 2.167 19546 1017 1 4 . 1 1 47 47 ILE N N 47 122.295 122.295 116.181 6.114 19546 1018 1 4 . 1 1 47 47 ILE HA H 47 3.526 3.526 4.165 -0.639 19546 1019 1 4 . 1 1 47 47 ILE CA C 47 60.756 60.756 62.173 -1.417 19546 1020 1 4 . 1 1 47 47 ILE CB C 47 34.770 34.770 40.580 -5.810 19546 1021 1 4 . 1 1 47 47 ILE H H 47 7.177 7.177 7.502 -0.325 19546 1022 1 4 . 1 1 48 48 TYR N N 48 122.359 122.359 121.925 0.434 19546 1023 1 4 . 1 1 48 48 TYR HA H 48 3.542 3.542 3.918 -0.376 19546 1024 1 4 . 1 1 48 48 TYR CA C 48 62.507 62.507 63.084 -0.577 19546 1025 1 4 . 1 1 48 48 TYR CB C 48 39.069 39.069 38.866 0.203 19546 1026 1 4 . 1 1 48 48 TYR H H 48 7.949 7.949 8.938 -0.989 19546 1027 1 4 . 1 1 49 49 GLN N N 49 115.099 115.099 115.303 -0.204 19546 1028 1 4 . 1 1 49 49 GLN HA H 49 3.821 3.821 4.079 -0.258 19546 1029 1 4 . 1 1 49 49 GLN CA C 49 58.633 58.633 57.705 0.928 19546 1030 1 4 . 1 1 49 49 GLN CB C 49 28.038 28.038 28.823 -0.785 19546 1031 1 4 . 1 1 49 49 GLN H H 49 8.597 8.597 8.186 0.411 19546 1032 1 4 . 1 1 50 50 ARG N N 50 120.635 120.635 117.405 3.230 19546 1033 1 4 . 1 1 50 50 ARG HA H 50 3.938 3.938 4.244 -0.306 19546 1034 1 4 . 1 1 50 50 ARG CA C 50 59.616 59.616 57.709 1.907 19546 1035 1 4 . 1 1 50 50 ARG CB C 50 30.462 30.462 30.709 -0.247 19546 1036 1 4 . 1 1 50 50 ARG H H 50 7.134 7.134 7.482 -0.348 19546 1037 1 4 . 1 1 51 51 ILE N N 51 120.637 120.637 120.425 0.212 19546 1038 1 4 . 1 1 51 51 ILE HA H 51 3.521 3.521 3.706 -0.185 19546 1039 1 4 . 1 1 51 51 ILE CA C 51 65.010 65.010 64.309 0.701 19546 1040 1 4 . 1 1 51 51 ILE CB C 51 37.878 37.878 38.134 -0.256 19546 1041 1 4 . 1 1 51 51 ILE H H 51 7.694 7.694 7.807 -0.113 19546 1042 1 4 . 1 1 52 52 GLN N N 52 118.700 118.700 116.596 2.104 19546 1043 1 4 . 1 1 52 52 GLN HA H 52 3.768 3.768 3.975 -0.207 19546 1044 1 4 . 1 1 52 52 GLN CA C 52 57.616 57.616 56.107 1.509 19546 1045 1 4 . 1 1 52 52 GLN CB C 52 28.095 28.095 27.354 0.741 19546 1046 1 4 . 1 1 52 52 GLN H H 52 7.910 7.910 7.646 0.264 19546 1047 1 4 . 1 1 53 53 ALA N N 53 120.010 120.010 120.812 -0.802 19546 1048 1 4 . 1 1 53 53 ALA HA H 53 4.185 4.185 4.184 0.001 19546 1049 1 4 . 1 1 53 53 ALA CA C 53 53.071 53.071 52.806 0.265 19546 1050 1 4 . 1 1 53 53 ALA CB C 53 18.546 18.546 19.336 -0.790 19546 1051 1 4 . 1 1 53 53 ALA H H 53 7.554 7.554 7.085 0.469 19546 1052 1 4 . 1 1 54 54 GLY N N 54 105.898 105.898 104.658 1.240 19546 1053 1 4 . 1 1 54 54 GLY CA C 54 45.605 45.605 44.829 0.776 19546 1054 1 4 . 1 1 54 54 GLY H H 54 7.692 7.692 7.793 -0.101 19546 1055 1 4 . 1 1 55 55 LEU N N 55 120.793 120.793 118.089 2.704 19546 1056 1 4 . 1 1 55 55 LEU HA H 55 4.352 4.352 5.101 -0.749 19546 1057 1 4 . 1 1 55 55 LEU CA C 55 54.964 54.964 53.564 1.400 19546 1058 1 4 . 1 1 55 55 LEU CB C 55 42.006 42.006 42.846 -0.840 19546 1059 1 4 . 1 1 55 55 LEU H H 55 7.669 7.669 7.803 -0.134 19546 1060 1 4 . 1 1 56 56 THR N N 56 114.129 114.129 109.458 4.671 19546 1061 1 4 . 1 1 56 56 THR HA H 56 4.278 4.278 4.458 -0.180 19546 1062 1 4 . 1 1 56 56 THR CA C 56 61.492 61.492 60.253 1.239 19546 1063 1 4 . 1 1 56 56 THR CB C 56 69.957 69.957 70.803 -0.846 19546 1064 1 4 . 1 1 56 56 THR H H 56 7.928 7.928 7.789 0.139 19546 1065 1 4 . 1 1 57 57 ALA N N 57 127.280 127.280 122.561 4.719 19546 1066 1 4 . 1 1 57 57 ALA HA H 57 4.178 4.178 4.328 -0.150 19546 1067 1 4 . 1 1 57 57 ALA CA C 57 50.568 50.568 51.242 -0.674 19546 1068 1 4 . 1 1 57 57 ALA CB C 57 17.738 17.738 18.735 -0.997 19546 1069 1 4 . 1 1 57 57 ALA H H 57 8.110 8.110 8.285 -0.175 19546 1070 1 4 . 1 1 58 58 PRO HA H 58 4.279 4.279 4.370 -0.091 19546 1071 1 4 . 1 1 58 58 PRO CA C 58 63.266 63.266 63.436 -0.170 19546 1072 1 4 . 1 1 58 58 PRO CB C 58 31.983 31.983 32.279 -0.296 19546 1073 1 5 . 1 1 2 2 LEU N N 2 124.364 124.364 125.833 -1.469 19546 1074 1 5 . 1 1 2 2 LEU HA H 2 4.547 4.547 4.633 -0.086 19546 1075 1 5 . 1 1 2 2 LEU CA C 2 54.353 54.353 54.582 -0.229 19546 1076 1 5 . 1 1 2 2 LEU CB C 2 42.514 42.514 42.758 -0.244 19546 1077 1 5 . 1 1 2 2 LEU H H 2 8.494 8.494 8.352 0.142 19546 1078 1 5 . 1 1 3 3 ILE N N 3 130.774 130.774 122.807 7.967 19546 1079 1 5 . 1 1 3 3 ILE HA H 3 5.071 5.071 4.415 0.656 19546 1080 1 5 . 1 1 3 3 ILE CA C 3 60.083 60.083 60.769 -0.686 19546 1081 1 5 . 1 1 3 3 ILE CB C 3 37.710 37.710 39.783 -2.073 19546 1082 1 5 . 1 1 3 3 ILE H H 3 10.676 10.676 8.294 2.382 19546 1083 1 5 . 1 1 4 4 LEU N N 4 122.204 122.204 126.838 -4.634 19546 1084 1 5 . 1 1 4 4 LEU HA H 4 4.535 4.535 4.745 -0.210 19546 1085 1 5 . 1 1 4 4 LEU CA C 4 52.555 52.555 53.822 -1.267 19546 1086 1 5 . 1 1 4 4 LEU CB C 4 47.177 47.177 44.783 2.394 19546 1087 1 5 . 1 1 4 4 LEU H H 4 8.587 8.587 8.405 0.182 19546 1088 1 5 . 1 1 5 5 THR N N 5 119.940 119.940 116.887 3.053 19546 1089 1 5 . 1 1 5 5 THR HA H 5 5.476 5.476 4.671 0.805 19546 1090 1 5 . 1 1 5 5 THR CA C 5 61.923 61.923 61.422 0.501 19546 1091 1 5 . 1 1 5 5 THR CB C 5 68.963 68.963 69.577 -0.614 19546 1092 1 5 . 1 1 5 5 THR H H 5 9.161 9.161 8.322 0.839 19546 1093 1 5 . 1 1 6 6 ARG N N 6 126.862 126.862 122.554 4.308 19546 1094 1 5 . 1 1 6 6 ARG HA H 6 5.023 5.023 5.133 -0.110 19546 1095 1 5 . 1 1 6 6 ARG CA C 6 55.325 55.325 54.464 0.861 19546 1096 1 5 . 1 1 6 6 ARG CB C 6 38.076 38.076 33.261 4.815 19546 1097 1 5 . 1 1 6 6 ARG H H 6 9.619 9.619 8.349 1.270 19546 1098 1 5 . 1 1 7 7 LYS N N 7 123.703 123.703 120.378 3.325 19546 1099 1 5 . 1 1 7 7 LYS HA H 7 5.069 5.069 4.600 0.469 19546 1100 1 5 . 1 1 7 7 LYS CA C 7 54.427 54.427 54.976 -0.549 19546 1101 1 5 . 1 1 7 7 LYS CB C 7 34.217 34.217 34.541 -0.324 19546 1102 1 5 . 1 1 7 7 LYS H H 7 9.450 9.450 8.673 0.777 19546 1103 1 5 . 1 1 8 8 VAL N N 8 118.617 118.617 121.960 -3.343 19546 1104 1 5 . 1 1 8 8 VAL HA H 8 3.315 3.315 3.848 -0.533 19546 1105 1 5 . 1 1 8 8 VAL CA C 8 66.050 66.050 63.925 2.125 19546 1106 1 5 . 1 1 8 8 VAL CB C 8 31.491 31.491 30.612 0.879 19546 1107 1 5 . 1 1 8 8 VAL H H 8 7.741 7.741 8.526 -0.785 19546 1108 1 5 . 1 1 9 9 GLY N N 9 116.069 116.069 115.572 0.497 19546 1109 1 5 . 1 1 9 9 GLY CA C 9 44.524 44.524 44.825 -0.301 19546 1110 1 5 . 1 1 9 9 GLY H H 9 9.269 9.269 9.191 0.078 19546 1111 1 5 . 1 1 10 10 GLU N N 10 119.364 119.364 120.999 -1.635 19546 1112 1 5 . 1 1 10 10 GLU HA H 10 4.891 4.891 4.531 0.360 19546 1113 1 5 . 1 1 10 10 GLU CA C 10 55.788 55.788 56.066 -0.278 19546 1114 1 5 . 1 1 10 10 GLU CB C 10 32.873 32.873 30.836 2.037 19546 1115 1 5 . 1 1 10 10 GLU H H 10 8.426 8.426 8.480 -0.054 19546 1116 1 5 . 1 1 11 11 SER N N 11 112.510 112.510 112.279 0.231 19546 1117 1 5 . 1 1 11 11 SER HA H 11 5.882 5.882 5.221 0.661 19546 1118 1 5 . 1 1 11 11 SER CA C 11 57.997 57.997 57.513 0.484 19546 1119 1 5 . 1 1 11 11 SER CB C 11 66.884 66.884 66.425 0.459 19546 1120 1 5 . 1 1 11 11 SER H H 11 8.672 8.672 8.360 0.312 19546 1121 1 5 . 1 1 12 12 ILE N N 12 124.592 124.592 120.293 4.299 19546 1122 1 5 . 1 1 12 12 ILE HA H 12 4.365 4.365 4.621 -0.256 19546 1123 1 5 . 1 1 12 12 ILE CA C 12 59.814 59.814 59.292 0.521 19546 1124 1 5 . 1 1 12 12 ILE CB C 12 42.616 42.616 42.423 0.193 19546 1125 1 5 . 1 1 12 12 ILE H H 12 9.265 9.265 8.880 0.385 19546 1126 1 5 . 1 1 13 13 ASN N N 13 126.127 126.127 121.402 4.725 19546 1127 1 5 . 1 1 13 13 ASN HA H 13 4.947 4.947 5.141 -0.194 19546 1128 1 5 . 1 1 13 13 ASN CA C 13 53.571 53.571 52.102 1.469 19546 1129 1 5 . 1 1 13 13 ASN CB C 13 41.491 41.491 41.593 -0.102 19546 1130 1 5 . 1 1 13 13 ASN H H 13 9.318 9.318 8.399 0.919 19546 1131 1 5 . 1 1 14 14 ILE N N 14 123.984 123.984 122.764 1.220 19546 1132 1 5 . 1 1 14 14 ILE HA H 14 4.475 4.475 4.466 0.009 19546 1133 1 5 . 1 1 14 14 ILE CA C 14 60.582 60.582 60.153 0.429 19546 1134 1 5 . 1 1 14 14 ILE CB C 14 38.573 38.573 41.018 -2.445 19546 1135 1 5 . 1 1 14 14 ILE H H 14 8.392 8.392 8.750 -0.358 19546 1136 1 5 . 1 1 15 15 GLY N N 15 115.533 115.533 113.384 2.149 19546 1137 1 5 . 1 1 15 15 GLY CA C 15 45.893 45.893 46.476 -0.583 19546 1138 1 5 . 1 1 15 15 GLY H H 15 9.148 9.148 8.598 0.550 19546 1139 1 5 . 1 1 16 16 ASP N N 16 121.039 121.039 121.976 -0.937 19546 1140 1 5 . 1 1 16 16 ASP HA H 16 4.969 4.969 4.724 0.245 19546 1141 1 5 . 1 1 16 16 ASP CA C 16 55.256 55.256 54.370 0.886 19546 1142 1 5 . 1 1 16 16 ASP CB C 16 42.342 42.342 41.689 0.653 19546 1143 1 5 . 1 1 16 16 ASP H H 16 8.809 8.809 8.294 0.515 19546 1144 1 5 . 1 1 17 17 ASP N N 17 115.538 115.538 119.180 -3.642 19546 1145 1 5 . 1 1 17 17 ASP HA H 17 4.749 4.749 4.791 -0.042 19546 1146 1 5 . 1 1 17 17 ASP CA C 17 54.134 54.134 54.114 0.020 19546 1147 1 5 . 1 1 17 17 ASP CB C 17 42.578 42.578 43.515 -0.937 19546 1148 1 5 . 1 1 17 17 ASP H H 17 8.140 8.140 7.957 0.183 19546 1149 1 5 . 1 1 18 18 ILE N N 18 118.702 118.702 119.805 -1.103 19546 1150 1 5 . 1 1 18 18 ILE HA H 18 5.239 5.239 4.785 0.454 19546 1151 1 5 . 1 1 18 18 ILE CA C 18 60.037 60.037 60.476 -0.439 19546 1152 1 5 . 1 1 18 18 ILE CB C 18 39.755 39.755 41.954 -2.199 19546 1153 1 5 . 1 1 18 18 ILE H H 18 7.183 7.183 7.707 -0.524 19546 1154 1 5 . 1 1 19 19 THR N N 19 122.806 122.806 122.102 0.704 19546 1155 1 5 . 1 1 19 19 THR HA H 19 5.110 5.110 4.989 0.121 19546 1156 1 5 . 1 1 19 19 THR CA C 19 60.845 60.845 61.422 -0.577 19546 1157 1 5 . 1 1 19 19 THR CB C 19 71.703 71.703 72.007 -0.304 19546 1158 1 5 . 1 1 19 19 THR H H 19 8.993 8.993 8.222 0.771 19546 1159 1 5 . 1 1 20 20 ILE N N 20 123.302 123.302 121.800 1.502 19546 1160 1 5 . 1 1 20 20 ILE HA H 20 4.891 4.891 4.950 -0.059 19546 1161 1 5 . 1 1 20 20 ILE CA C 20 58.946 58.946 59.090 -0.144 19546 1162 1 5 . 1 1 20 20 ILE CB C 20 40.382 40.382 41.981 -1.599 19546 1163 1 5 . 1 1 20 20 ILE H H 20 8.918 8.918 9.056 -0.138 19546 1164 1 5 . 1 1 21 21 THR N N 21 123.751 123.751 118.730 5.021 19546 1165 1 5 . 1 1 21 21 THR HA H 21 4.837 4.837 4.939 -0.102 19546 1166 1 5 . 1 1 21 21 THR CA C 21 61.523 61.523 61.435 0.088 19546 1167 1 5 . 1 1 21 21 THR CB C 21 71.939 71.939 72.209 -0.270 19546 1168 1 5 . 1 1 21 21 THR H H 21 9.398 9.398 8.762 0.636 19546 1169 1 5 . 1 1 22 22 ILE N N 22 125.736 125.736 126.374 -0.638 19546 1170 1 5 . 1 1 22 22 ILE HA H 22 4.119 4.119 4.523 -0.404 19546 1171 1 5 . 1 1 22 22 ILE CA C 22 59.111 59.111 58.545 0.566 19546 1172 1 5 . 1 1 22 22 ILE CB C 22 33.929 33.929 38.117 -4.188 19546 1173 1 5 . 1 1 22 22 ILE H H 22 8.053 8.053 8.432 -0.379 19546 1174 1 5 . 1 1 23 23 LEU N N 23 129.499 129.499 128.621 0.878 19546 1175 1 5 . 1 1 23 23 LEU HA H 23 4.529 4.529 4.312 0.217 19546 1176 1 5 . 1 1 23 23 LEU CA C 23 55.574 55.574 56.098 -0.524 19546 1177 1 5 . 1 1 23 23 LEU CB C 23 41.923 41.923 41.936 -0.013 19546 1178 1 5 . 1 1 23 23 LEU H H 23 8.890 8.890 8.412 0.478 19546 1179 1 5 . 1 1 24 24 GLY N N 24 104.858 104.858 103.086 1.772 19546 1180 1 5 . 1 1 24 24 GLY CA C 24 46.001 46.001 45.237 0.764 19546 1181 1 5 . 1 1 24 24 GLY H H 24 7.565 7.565 7.779 -0.214 19546 1182 1 5 . 1 1 25 25 VAL N N 25 120.794 120.794 119.124 1.670 19546 1183 1 5 . 1 1 25 25 VAL HA H 25 4.670 4.670 4.543 0.127 19546 1184 1 5 . 1 1 25 25 VAL CA C 25 61.459 61.459 59.791 1.668 19546 1185 1 5 . 1 1 25 25 VAL CB C 25 35.692 35.692 34.895 0.797 19546 1186 1 5 . 1 1 25 25 VAL H H 25 8.477 8.477 8.328 0.149 19546 1187 1 5 . 1 1 26 26 SER N N 26 122.022 122.022 122.321 -0.299 19546 1188 1 5 . 1 1 26 26 SER HA H 26 4.691 4.691 4.641 0.050 19546 1189 1 5 . 1 1 26 26 SER CA C 26 56.322 56.322 57.902 -1.580 19546 1190 1 5 . 1 1 26 26 SER CB C 26 63.731 63.731 63.894 -0.163 19546 1191 1 5 . 1 1 26 26 SER H H 26 8.619 8.619 8.783 -0.164 19546 1192 1 5 . 1 1 27 27 GLY N N 27 118.775 118.775 112.889 5.886 19546 1193 1 5 . 1 1 27 27 GLY CA C 27 47.626 47.626 45.779 1.847 19546 1194 1 5 . 1 1 27 27 GLY H H 27 8.969 8.969 8.319 0.650 19546 1195 1 5 . 1 1 28 28 GLN N N 28 124.390 124.390 124.503 -0.113 19546 1196 1 5 . 1 1 28 28 GLN HA H 28 4.324 4.324 4.181 0.143 19546 1197 1 5 . 1 1 28 28 GLN CA C 28 54.980 54.980 56.636 -1.656 19546 1198 1 5 . 1 1 28 28 GLN CB C 28 29.553 29.553 29.085 0.468 19546 1199 1 5 . 1 1 28 28 GLN H H 28 8.761 8.761 8.715 0.046 19546 1200 1 5 . 1 1 29 29 GLN N N 29 116.885 116.885 118.442 -1.557 19546 1201 1 5 . 1 1 29 29 GLN HA H 29 4.651 4.651 4.588 0.063 19546 1202 1 5 . 1 1 29 29 GLN CA C 29 55.364 55.364 55.086 0.278 19546 1203 1 5 . 1 1 29 29 GLN CB C 29 31.289 31.289 31.728 -0.439 19546 1204 1 5 . 1 1 29 29 GLN H H 29 8.307 8.307 7.570 0.737 19546 1205 1 5 . 1 1 30 30 VAL N N 30 123.399 123.399 119.407 3.992 19546 1206 1 5 . 1 1 30 30 VAL HA H 30 4.602 4.602 4.312 0.290 19546 1207 1 5 . 1 1 30 30 VAL CA C 30 60.710 60.710 61.307 -0.597 19546 1208 1 5 . 1 1 30 30 VAL CB C 30 34.560 34.560 35.238 -0.678 19546 1209 1 5 . 1 1 30 30 VAL H H 30 9.103 9.103 8.294 0.809 19546 1210 1 5 . 1 1 31 31 ARG N N 31 128.722 128.722 126.126 2.596 19546 1211 1 5 . 1 1 31 31 ARG HA H 31 4.659 4.659 4.808 -0.149 19546 1212 1 5 . 1 1 31 31 ARG CA C 31 55.755 55.755 54.178 1.577 19546 1213 1 5 . 1 1 31 31 ARG CB C 31 31.871 31.871 31.718 0.153 19546 1214 1 5 . 1 1 31 31 ARG H H 31 8.750 8.750 8.753 -0.003 19546 1215 1 5 . 1 1 32 32 ILE N N 32 127.760 127.760 119.511 8.249 19546 1216 1 5 . 1 1 32 32 ILE HA H 32 4.652 4.652 5.147 -0.495 19546 1217 1 5 . 1 1 32 32 ILE CA C 32 59.738 59.738 58.610 1.128 19546 1218 1 5 . 1 1 32 32 ILE CB C 32 41.082 41.082 42.289 -1.208 19546 1219 1 5 . 1 1 32 32 ILE H H 32 9.069 9.069 8.493 0.576 19546 1220 1 5 . 1 1 33 33 GLY N N 33 112.098 112.098 109.581 2.517 19546 1221 1 5 . 1 1 33 33 GLY CA C 33 44.565 44.565 43.627 0.938 19546 1222 1 5 . 1 1 33 33 GLY H H 33 9.075 9.075 8.556 0.519 19546 1223 1 5 . 1 1 34 34 ILE N N 34 124.988 124.988 119.402 5.586 19546 1224 1 5 . 1 1 34 34 ILE HA H 34 4.863 4.863 4.576 0.287 19546 1225 1 5 . 1 1 34 34 ILE CA C 34 61.053 61.053 60.777 0.276 19546 1226 1 5 . 1 1 34 34 ILE CB C 34 41.339 41.339 41.965 -0.626 19546 1227 1 5 . 1 1 34 34 ILE H H 34 9.654 9.654 8.206 1.448 19546 1228 1 5 . 1 1 35 35 ASN N N 35 129.566 129.566 125.397 4.169 19546 1229 1 5 . 1 1 35 35 ASN HA H 35 5.102 5.102 4.904 0.198 19546 1230 1 5 . 1 1 35 35 ASN CA C 35 52.166 52.166 52.216 -0.050 19546 1231 1 5 . 1 1 35 35 ASN CB C 35 40.191 40.191 39.440 0.751 19546 1232 1 5 . 1 1 35 35 ASN H H 35 9.013 9.013 9.093 -0.080 19546 1233 1 5 . 1 1 36 36 ALA N N 36 125.469 125.469 125.464 0.005 19546 1234 1 5 . 1 1 36 36 ALA HA H 36 5.066 5.066 5.224 -0.158 19546 1235 1 5 . 1 1 36 36 ALA CA C 36 49.445 49.445 48.935 0.510 19546 1236 1 5 . 1 1 36 36 ALA CB C 36 19.884 19.884 20.380 -0.496 19546 1237 1 5 . 1 1 36 36 ALA H H 36 8.205 8.205 7.746 0.459 19546 1238 1 5 . 1 1 37 37 PRO HA H 37 4.415 4.415 4.620 -0.205 19546 1239 1 5 . 1 1 37 37 PRO CA C 37 62.961 62.961 62.369 0.592 19546 1240 1 5 . 1 1 37 37 PRO CB C 37 32.374 32.374 32.769 -0.395 19546 1241 1 5 . 1 1 38 38 LYS N N 38 121.088 121.088 120.248 0.840 19546 1242 1 5 . 1 1 38 38 LYS HA H 38 3.794 3.794 4.139 -0.345 19546 1243 1 5 . 1 1 38 38 LYS CA C 38 58.747 58.747 57.962 0.785 19546 1244 1 5 . 1 1 38 38 LYS CB C 38 31.857 31.857 32.248 -0.391 19546 1245 1 5 . 1 1 38 38 LYS H H 38 8.581 8.581 8.628 -0.047 19546 1246 1 5 . 1 1 39 39 ASP N N 39 113.879 113.879 117.521 -3.642 19546 1247 1 5 . 1 1 39 39 ASP HA H 39 4.364 4.364 4.559 -0.195 19546 1248 1 5 . 1 1 39 39 ASP CA C 39 54.027 54.027 55.512 -1.485 19546 1249 1 5 . 1 1 39 39 ASP CB C 39 39.749 39.749 41.123 -1.374 19546 1250 1 5 . 1 1 39 39 ASP H H 39 8.164 8.164 8.065 0.099 19546 1251 1 5 . 1 1 40 40 VAL N N 40 122.755 122.755 115.993 6.762 19546 1252 1 5 . 1 1 40 40 VAL HA H 40 3.975 3.975 4.413 -0.438 19546 1253 1 5 . 1 1 40 40 VAL CA C 40 61.937 61.937 60.048 1.889 19546 1254 1 5 . 1 1 40 40 VAL CB C 40 31.941 31.941 34.416 -2.475 19546 1255 1 5 . 1 1 40 40 VAL H H 40 8.053 8.053 7.474 0.579 19546 1256 1 5 . 1 1 41 41 ALA N N 41 133.718 133.718 127.901 5.817 19546 1257 1 5 . 1 1 41 41 ALA HA H 41 4.445 4.445 4.482 -0.037 19546 1258 1 5 . 1 1 41 41 ALA CA C 41 52.269 52.269 52.617 -0.348 19546 1259 1 5 . 1 1 41 41 ALA CB C 41 19.053 19.053 19.463 -0.410 19546 1260 1 5 . 1 1 41 41 ALA H H 41 8.927 8.927 8.331 0.596 19546 1261 1 5 . 1 1 42 42 VAL N N 42 125.374 125.374 122.778 2.596 19546 1262 1 5 . 1 1 42 42 VAL HA H 42 4.384 4.384 4.322 0.062 19546 1263 1 5 . 1 1 42 42 VAL CA C 42 60.485 60.485 62.425 -1.940 19546 1264 1 5 . 1 1 42 42 VAL CB C 42 33.636 33.636 33.254 0.382 19546 1265 1 5 . 1 1 42 42 VAL H H 42 7.899 7.899 7.975 -0.076 19546 1266 1 5 . 1 1 43 43 HIS N N 43 118.709 118.709 124.854 -6.145 19546 1267 1 5 . 1 1 43 43 HIS HA H 43 5.505 5.505 5.047 0.458 19546 1268 1 5 . 1 1 43 43 HIS CA C 43 53.758 53.758 55.231 -1.473 19546 1269 1 5 . 1 1 43 43 HIS CB C 43 37.671 37.671 32.162 5.509 19546 1270 1 5 . 1 1 43 43 HIS H H 43 8.580 8.580 8.193 0.387 19546 1271 1 5 . 1 1 44 44 ARG N N 44 121.721 121.721 121.307 0.414 19546 1272 1 5 . 1 1 44 44 ARG HA H 44 3.923 3.923 4.462 -0.539 19546 1273 1 5 . 1 1 44 44 ARG CA C 44 58.392 58.392 55.989 2.403 19546 1274 1 5 . 1 1 44 44 ARG H H 44 8.396 8.396 8.662 -0.266 19546 1275 1 5 . 1 1 45 45 GLU N N 45 126.002 126.002 121.062 4.940 19546 1276 1 5 . 1 1 45 45 GLU HA H 45 4.384 4.384 4.102 0.282 19546 1277 1 5 . 1 1 45 45 GLU CA C 45 59.792 59.792 59.679 0.113 19546 1278 1 5 . 1 1 45 45 GLU CB C 45 29.945 29.945 29.411 0.534 19546 1279 1 5 . 1 1 45 45 GLU H H 45 7.892 7.892 8.999 -1.107 19546 1280 1 5 . 1 1 46 46 GLU N N 46 118.201 118.201 117.044 1.157 19546 1281 1 5 . 1 1 46 46 GLU HA H 46 4.212 4.212 4.217 -0.005 19546 1282 1 5 . 1 1 46 46 GLU CA C 46 58.717 58.717 58.427 0.290 19546 1283 1 5 . 1 1 46 46 GLU CB C 46 27.031 27.031 28.480 -1.449 19546 1284 1 5 . 1 1 46 46 GLU H H 46 10.804 10.804 8.978 1.826 19546 1285 1 5 . 1 1 47 47 ILE N N 47 122.295 122.295 118.606 3.689 19546 1286 1 5 . 1 1 47 47 ILE HA H 47 3.526 3.526 4.173 -0.647 19546 1287 1 5 . 1 1 47 47 ILE CA C 47 60.756 60.756 62.396 -1.640 19546 1288 1 5 . 1 1 47 47 ILE CB C 47 34.770 34.770 40.275 -5.505 19546 1289 1 5 . 1 1 47 47 ILE H H 47 7.177 7.177 7.352 -0.175 19546 1290 1 5 . 1 1 48 48 TYR N N 48 122.359 122.359 122.288 0.071 19546 1291 1 5 . 1 1 48 48 TYR HA H 48 3.542 3.542 3.879 -0.337 19546 1292 1 5 . 1 1 48 48 TYR CA C 48 62.507 62.507 62.984 -0.477 19546 1293 1 5 . 1 1 48 48 TYR CB C 48 39.069 39.069 38.818 0.251 19546 1294 1 5 . 1 1 48 48 TYR H H 48 7.949 7.949 8.765 -0.816 19546 1295 1 5 . 1 1 49 49 GLN N N 49 115.099 115.099 115.520 -0.421 19546 1296 1 5 . 1 1 49 49 GLN HA H 49 3.821 3.821 4.070 -0.249 19546 1297 1 5 . 1 1 49 49 GLN CA C 49 58.633 58.633 57.791 0.842 19546 1298 1 5 . 1 1 49 49 GLN CB C 49 28.038 28.038 28.810 -0.772 19546 1299 1 5 . 1 1 49 49 GLN H H 49 8.597 8.597 7.862 0.735 19546 1300 1 5 . 1 1 50 50 ARG N N 50 120.635 120.635 117.453 3.182 19546 1301 1 5 . 1 1 50 50 ARG HA H 50 3.938 3.938 4.235 -0.297 19546 1302 1 5 . 1 1 50 50 ARG CA C 50 59.616 59.616 57.758 1.859 19546 1303 1 5 . 1 1 50 50 ARG CB C 50 30.462 30.462 30.647 -0.185 19546 1304 1 5 . 1 1 50 50 ARG H H 50 7.134 7.134 7.462 -0.328 19546 1305 1 5 . 1 1 51 51 ILE N N 51 120.637 120.637 120.485 0.152 19546 1306 1 5 . 1 1 51 51 ILE HA H 51 3.521 3.521 3.703 -0.182 19546 1307 1 5 . 1 1 51 51 ILE CA C 51 65.010 65.010 64.279 0.731 19546 1308 1 5 . 1 1 51 51 ILE CB C 51 37.878 37.878 38.119 -0.241 19546 1309 1 5 . 1 1 51 51 ILE H H 51 7.694 7.694 7.744 -0.050 19546 1310 1 5 . 1 1 52 52 GLN N N 52 118.700 118.700 116.641 2.059 19546 1311 1 5 . 1 1 52 52 GLN HA H 52 3.768 3.768 3.982 -0.214 19546 1312 1 5 . 1 1 52 52 GLN CA C 52 57.616 57.616 56.084 1.532 19546 1313 1 5 . 1 1 52 52 GLN CB C 52 28.095 28.095 27.423 0.672 19546 1314 1 5 . 1 1 52 52 GLN H H 52 7.910 7.910 7.675 0.235 19546 1315 1 5 . 1 1 53 53 ALA N N 53 120.010 120.010 120.662 -0.652 19546 1316 1 5 . 1 1 53 53 ALA HA H 53 4.185 4.185 4.186 -0.001 19546 1317 1 5 . 1 1 53 53 ALA CA C 53 53.071 53.071 52.771 0.300 19546 1318 1 5 . 1 1 53 53 ALA CB C 53 18.546 18.546 19.304 -0.758 19546 1319 1 5 . 1 1 53 53 ALA H H 53 7.554 7.554 7.073 0.481 19546 1320 1 5 . 1 1 54 54 GLY N N 54 105.898 105.898 104.622 1.276 19546 1321 1 5 . 1 1 54 54 GLY CA C 54 45.605 45.605 44.838 0.767 19546 1322 1 5 . 1 1 54 54 GLY H H 54 7.692 7.692 7.774 -0.082 19546 1323 1 5 . 1 1 55 55 LEU N N 55 120.793 120.793 117.766 3.027 19546 1324 1 5 . 1 1 55 55 LEU HA H 55 4.352 4.352 5.134 -0.782 19546 1325 1 5 . 1 1 55 55 LEU CA C 55 54.964 54.964 53.597 1.367 19546 1326 1 5 . 1 1 55 55 LEU CB C 55 42.006 42.006 43.019 -1.013 19546 1327 1 5 . 1 1 55 55 LEU H H 55 7.669 7.669 7.752 -0.083 19546 1328 1 5 . 1 1 56 56 THR N N 56 114.129 114.129 108.893 5.236 19546 1329 1 5 . 1 1 56 56 THR HA H 56 4.278 4.278 4.499 -0.221 19546 1330 1 5 . 1 1 56 56 THR CA C 56 61.492 61.492 59.978 1.514 19546 1331 1 5 . 1 1 56 56 THR CB C 56 69.957 69.957 70.966 -1.009 19546 1332 1 5 . 1 1 56 56 THR H H 56 7.928 7.928 7.776 0.152 19546 1333 1 5 . 1 1 57 57 ALA N N 57 127.280 127.280 123.485 3.795 19546 1334 1 5 . 1 1 57 57 ALA HA H 57 4.178 4.178 4.355 -0.177 19546 1335 1 5 . 1 1 57 57 ALA CA C 57 50.568 50.568 51.549 -0.981 19546 1336 1 5 . 1 1 57 57 ALA CB C 57 17.738 17.738 18.352 -0.614 19546 1337 1 5 . 1 1 57 57 ALA H H 57 8.110 8.110 8.315 -0.205 19546 1338 1 5 . 1 1 58 58 PRO HA H 58 4.279 4.279 4.176 0.103 19546 1339 1 5 . 1 1 58 58 PRO CA C 58 63.266 63.266 63.589 -0.323 19546 1340 1 5 . 1 1 58 58 PRO CB C 58 31.983 31.983 31.964 0.019 19546 1341 1 6 . 1 1 2 2 LEU N N 2 124.364 124.364 126.016 -1.652 19546 1342 1 6 . 1 1 2 2 LEU HA H 2 4.547 4.547 4.669 -0.122 19546 1343 1 6 . 1 1 2 2 LEU CA C 2 54.353 54.353 54.562 -0.209 19546 1344 1 6 . 1 1 2 2 LEU CB C 2 42.514 42.514 42.704 -0.190 19546 1345 1 6 . 1 1 2 2 LEU H H 2 8.494 8.494 8.345 0.149 19546 1346 1 6 . 1 1 3 3 ILE N N 3 130.774 130.774 122.892 7.882 19546 1347 1 6 . 1 1 3 3 ILE HA H 3 5.071 5.071 4.441 0.630 19546 1348 1 6 . 1 1 3 3 ILE CA C 3 60.083 60.083 60.675 -0.592 19546 1349 1 6 . 1 1 3 3 ILE CB C 3 37.710 37.710 39.985 -2.275 19546 1350 1 6 . 1 1 3 3 ILE H H 3 10.676 10.676 8.311 2.365 19546 1351 1 6 . 1 1 4 4 LEU N N 4 122.204 122.204 125.246 -3.042 19546 1352 1 6 . 1 1 4 4 LEU HA H 4 4.535 4.535 4.672 -0.137 19546 1353 1 6 . 1 1 4 4 LEU CA C 4 52.555 52.555 53.753 -1.198 19546 1354 1 6 . 1 1 4 4 LEU CB C 4 47.177 47.177 44.997 2.180 19546 1355 1 6 . 1 1 4 4 LEU H H 4 8.587 8.587 8.266 0.321 19546 1356 1 6 . 1 1 5 5 THR N N 5 119.940 119.940 116.900 3.040 19546 1357 1 6 . 1 1 5 5 THR HA H 5 5.476 5.476 4.688 0.788 19546 1358 1 6 . 1 1 5 5 THR CA C 5 61.923 61.923 61.643 0.280 19546 1359 1 6 . 1 1 5 5 THR CB C 5 68.963 68.963 69.686 -0.723 19546 1360 1 6 . 1 1 5 5 THR H H 5 9.161 9.161 8.281 0.880 19546 1361 1 6 . 1 1 6 6 ARG N N 6 126.862 126.862 122.886 3.976 19546 1362 1 6 . 1 1 6 6 ARG HA H 6 5.023 5.023 4.849 0.174 19546 1363 1 6 . 1 1 6 6 ARG CA C 6 55.325 55.325 54.695 0.630 19546 1364 1 6 . 1 1 6 6 ARG CB C 6 38.076 38.076 33.524 4.552 19546 1365 1 6 . 1 1 6 6 ARG H H 6 9.619 9.619 8.445 1.174 19546 1366 1 6 . 1 1 7 7 LYS N N 7 123.703 123.703 120.226 3.477 19546 1367 1 6 . 1 1 7 7 LYS HA H 7 5.069 5.069 4.665 0.404 19546 1368 1 6 . 1 1 7 7 LYS CA C 7 54.427 54.427 54.987 -0.560 19546 1369 1 6 . 1 1 7 7 LYS CB C 7 34.217 34.217 35.410 -1.194 19546 1370 1 6 . 1 1 7 7 LYS H H 7 9.450 9.450 8.633 0.817 19546 1371 1 6 . 1 1 8 8 VAL N N 8 118.617 118.617 121.268 -2.651 19546 1372 1 6 . 1 1 8 8 VAL HA H 8 3.315 3.315 3.671 -0.356 19546 1373 1 6 . 1 1 8 8 VAL CA C 8 66.050 66.050 64.197 1.853 19546 1374 1 6 . 1 1 8 8 VAL CB C 8 31.491 31.491 30.781 0.710 19546 1375 1 6 . 1 1 8 8 VAL H H 8 7.741 7.741 8.501 -0.760 19546 1376 1 6 . 1 1 9 9 GLY N N 9 116.069 116.069 115.081 0.988 19546 1377 1 6 . 1 1 9 9 GLY CA C 9 44.524 44.524 44.670 -0.146 19546 1378 1 6 . 1 1 9 9 GLY H H 9 9.269 9.269 8.941 0.328 19546 1379 1 6 . 1 1 10 10 GLU N N 10 119.364 119.364 119.515 -0.151 19546 1380 1 6 . 1 1 10 10 GLU HA H 10 4.891 4.891 4.829 0.062 19546 1381 1 6 . 1 1 10 10 GLU CA C 10 55.788 55.788 54.254 1.534 19546 1382 1 6 . 1 1 10 10 GLU CB C 10 32.873 32.873 32.810 0.063 19546 1383 1 6 . 1 1 10 10 GLU H H 10 8.426 8.426 7.990 0.435 19546 1384 1 6 . 1 1 11 11 SER N N 11 112.510 112.510 113.753 -1.243 19546 1385 1 6 . 1 1 11 11 SER HA H 11 5.882 5.882 5.338 0.544 19546 1386 1 6 . 1 1 11 11 SER CA C 11 57.997 57.997 57.062 0.935 19546 1387 1 6 . 1 1 11 11 SER CB C 11 66.884 66.884 66.365 0.519 19546 1388 1 6 . 1 1 11 11 SER H H 11 8.672 8.672 8.392 0.280 19546 1389 1 6 . 1 1 12 12 ILE N N 12 124.592 124.592 119.695 4.897 19546 1390 1 6 . 1 1 12 12 ILE HA H 12 4.365 4.365 4.582 -0.217 19546 1391 1 6 . 1 1 12 12 ILE CA C 12 59.814 59.814 59.204 0.610 19546 1392 1 6 . 1 1 12 12 ILE CB C 12 42.616 42.616 42.520 0.096 19546 1393 1 6 . 1 1 12 12 ILE H H 12 9.265 9.265 8.868 0.397 19546 1394 1 6 . 1 1 13 13 ASN N N 13 126.127 126.127 121.378 4.749 19546 1395 1 6 . 1 1 13 13 ASN HA H 13 4.947 4.947 5.234 -0.287 19546 1396 1 6 . 1 1 13 13 ASN CA C 13 53.571 53.571 52.126 1.445 19546 1397 1 6 . 1 1 13 13 ASN CB C 13 41.491 41.491 41.699 -0.208 19546 1398 1 6 . 1 1 13 13 ASN H H 13 9.318 9.318 8.378 0.940 19546 1399 1 6 . 1 1 14 14 ILE N N 14 123.984 123.984 122.975 1.009 19546 1400 1 6 . 1 1 14 14 ILE HA H 14 4.475 4.475 4.448 0.027 19546 1401 1 6 . 1 1 14 14 ILE CA C 14 60.582 60.582 60.744 -0.162 19546 1402 1 6 . 1 1 14 14 ILE CB C 14 38.573 38.573 41.638 -3.064 19546 1403 1 6 . 1 1 14 14 ILE H H 14 8.392 8.392 8.657 -0.265 19546 1404 1 6 . 1 1 15 15 GLY N N 15 115.533 115.533 113.156 2.377 19546 1405 1 6 . 1 1 15 15 GLY CA C 15 45.893 45.893 46.147 -0.254 19546 1406 1 6 . 1 1 15 15 GLY H H 15 9.148 9.148 8.617 0.531 19546 1407 1 6 . 1 1 16 16 ASP N N 16 121.039 121.039 123.131 -2.092 19546 1408 1 6 . 1 1 16 16 ASP HA H 16 4.969 4.969 4.683 0.286 19546 1409 1 6 . 1 1 16 16 ASP CA C 16 55.256 55.256 54.350 0.906 19546 1410 1 6 . 1 1 16 16 ASP CB C 16 42.342 42.342 41.474 0.868 19546 1411 1 6 . 1 1 16 16 ASP H H 16 8.809 8.809 8.406 0.403 19546 1412 1 6 . 1 1 17 17 ASP N N 17 115.538 115.538 118.399 -2.861 19546 1413 1 6 . 1 1 17 17 ASP HA H 17 4.749 4.749 4.748 0.001 19546 1414 1 6 . 1 1 17 17 ASP CA C 17 54.134 54.134 54.382 -0.248 19546 1415 1 6 . 1 1 17 17 ASP CB C 17 42.578 42.578 42.635 -0.057 19546 1416 1 6 . 1 1 17 17 ASP H H 17 8.140 8.140 7.854 0.286 19546 1417 1 6 . 1 1 18 18 ILE N N 18 118.702 118.702 119.742 -1.040 19546 1418 1 6 . 1 1 18 18 ILE HA H 18 5.239 5.239 4.822 0.417 19546 1419 1 6 . 1 1 18 18 ILE CA C 18 60.037 60.037 60.723 -0.686 19546 1420 1 6 . 1 1 18 18 ILE CB C 18 39.755 39.755 41.750 -1.995 19546 1421 1 6 . 1 1 18 18 ILE H H 18 7.183 7.183 7.641 -0.458 19546 1422 1 6 . 1 1 19 19 THR N N 19 122.806 122.806 122.073 0.733 19546 1423 1 6 . 1 1 19 19 THR HA H 19 5.110 5.110 5.015 0.095 19546 1424 1 6 . 1 1 19 19 THR CA C 19 60.845 60.845 61.399 -0.554 19546 1425 1 6 . 1 1 19 19 THR CB C 19 71.703 71.703 72.029 -0.326 19546 1426 1 6 . 1 1 19 19 THR H H 19 8.993 8.993 8.199 0.794 19546 1427 1 6 . 1 1 20 20 ILE N N 20 123.302 123.302 121.839 1.463 19546 1428 1 6 . 1 1 20 20 ILE HA H 20 4.891 4.891 4.962 -0.071 19546 1429 1 6 . 1 1 20 20 ILE CA C 20 58.946 58.946 58.962 -0.016 19546 1430 1 6 . 1 1 20 20 ILE CB C 20 40.382 40.382 41.761 -1.379 19546 1431 1 6 . 1 1 20 20 ILE H H 20 8.918 8.918 9.088 -0.170 19546 1432 1 6 . 1 1 21 21 THR N N 21 123.751 123.751 118.890 4.861 19546 1433 1 6 . 1 1 21 21 THR HA H 21 4.837 4.837 4.996 -0.159 19546 1434 1 6 . 1 1 21 21 THR CA C 21 61.523 61.523 61.872 -0.349 19546 1435 1 6 . 1 1 21 21 THR CB C 21 71.939 71.939 72.403 -0.465 19546 1436 1 6 . 1 1 21 21 THR H H 21 9.398 9.398 8.781 0.617 19546 1437 1 6 . 1 1 22 22 ILE N N 22 125.736 125.736 126.201 -0.465 19546 1438 1 6 . 1 1 22 22 ILE HA H 22 4.119 4.119 4.564 -0.445 19546 1439 1 6 . 1 1 22 22 ILE CA C 22 59.111 59.111 58.480 0.631 19546 1440 1 6 . 1 1 22 22 ILE CB C 22 33.929 33.929 38.307 -4.378 19546 1441 1 6 . 1 1 22 22 ILE H H 22 8.053 8.053 8.540 -0.487 19546 1442 1 6 . 1 1 23 23 LEU N N 23 129.499 129.499 128.866 0.633 19546 1443 1 6 . 1 1 23 23 LEU HA H 23 4.529 4.529 4.322 0.207 19546 1444 1 6 . 1 1 23 23 LEU CA C 23 55.574 55.574 56.133 -0.559 19546 1445 1 6 . 1 1 23 23 LEU CB C 23 41.923 41.923 42.032 -0.109 19546 1446 1 6 . 1 1 23 23 LEU H H 23 8.890 8.890 8.415 0.475 19546 1447 1 6 . 1 1 24 24 GLY N N 24 104.858 104.858 103.411 1.447 19546 1448 1 6 . 1 1 24 24 GLY CA C 24 46.001 46.001 45.298 0.703 19546 1449 1 6 . 1 1 24 24 GLY H H 24 7.565 7.565 7.681 -0.116 19546 1450 1 6 . 1 1 25 25 VAL N N 25 120.794 120.794 118.667 2.127 19546 1451 1 6 . 1 1 25 25 VAL HA H 25 4.670 4.670 4.573 0.097 19546 1452 1 6 . 1 1 25 25 VAL CA C 25 61.459 61.459 60.043 1.416 19546 1453 1 6 . 1 1 25 25 VAL CB C 25 35.692 35.692 35.554 0.138 19546 1454 1 6 . 1 1 25 25 VAL H H 25 8.477 8.477 8.275 0.202 19546 1455 1 6 . 1 1 26 26 SER N N 26 122.022 122.022 121.710 0.312 19546 1456 1 6 . 1 1 26 26 SER HA H 26 4.691 4.691 4.663 0.028 19546 1457 1 6 . 1 1 26 26 SER CA C 26 56.322 56.322 58.128 -1.806 19546 1458 1 6 . 1 1 26 26 SER CB C 26 63.731 63.731 64.134 -0.403 19546 1459 1 6 . 1 1 26 26 SER H H 26 8.619 8.619 8.828 -0.209 19546 1460 1 6 . 1 1 27 27 GLY N N 27 118.775 118.775 113.408 5.367 19546 1461 1 6 . 1 1 27 27 GLY CA C 27 47.626 47.626 45.780 1.846 19546 1462 1 6 . 1 1 27 27 GLY H H 27 8.969 8.969 8.379 0.590 19546 1463 1 6 . 1 1 28 28 GLN N N 28 124.390 124.390 124.608 -0.218 19546 1464 1 6 . 1 1 28 28 GLN HA H 28 4.324 4.324 4.182 0.142 19546 1465 1 6 . 1 1 28 28 GLN CA C 28 54.980 54.980 56.618 -1.638 19546 1466 1 6 . 1 1 28 28 GLN CB C 28 29.553 29.553 29.101 0.452 19546 1467 1 6 . 1 1 28 28 GLN H H 28 8.761 8.761 8.716 0.045 19546 1468 1 6 . 1 1 29 29 GLN N N 29 116.885 116.885 118.430 -1.545 19546 1469 1 6 . 1 1 29 29 GLN HA H 29 4.651 4.651 4.587 0.064 19546 1470 1 6 . 1 1 29 29 GLN CA C 29 55.364 55.364 55.073 0.291 19546 1471 1 6 . 1 1 29 29 GLN CB C 29 31.289 31.289 31.767 -0.478 19546 1472 1 6 . 1 1 29 29 GLN H H 29 8.307 8.307 7.575 0.732 19546 1473 1 6 . 1 1 30 30 VAL N N 30 123.399 123.399 119.441 3.958 19546 1474 1 6 . 1 1 30 30 VAL HA H 30 4.602 4.602 4.321 0.281 19546 1475 1 6 . 1 1 30 30 VAL CA C 30 60.710 60.710 61.290 -0.580 19546 1476 1 6 . 1 1 30 30 VAL CB C 30 34.560 34.560 35.391 -0.831 19546 1477 1 6 . 1 1 30 30 VAL H H 30 9.103 9.103 8.303 0.800 19546 1478 1 6 . 1 1 31 31 ARG N N 31 128.722 128.722 126.116 2.606 19546 1479 1 6 . 1 1 31 31 ARG HA H 31 4.659 4.659 4.816 -0.157 19546 1480 1 6 . 1 1 31 31 ARG CA C 31 55.755 55.755 54.088 1.667 19546 1481 1 6 . 1 1 31 31 ARG CB C 31 31.871 31.871 31.967 -0.096 19546 1482 1 6 . 1 1 31 31 ARG H H 31 8.750 8.750 8.691 0.059 19546 1483 1 6 . 1 1 32 32 ILE N N 32 127.760 127.760 119.389 8.371 19546 1484 1 6 . 1 1 32 32 ILE HA H 32 4.652 4.652 5.097 -0.445 19546 1485 1 6 . 1 1 32 32 ILE CA C 32 59.738 59.738 58.682 1.056 19546 1486 1 6 . 1 1 32 32 ILE CB C 32 41.082 41.082 42.312 -1.230 19546 1487 1 6 . 1 1 32 32 ILE H H 32 9.069 9.069 8.489 0.580 19546 1488 1 6 . 1 1 33 33 GLY N N 33 112.098 112.098 109.502 2.596 19546 1489 1 6 . 1 1 33 33 GLY CA C 33 44.565 44.565 43.587 0.978 19546 1490 1 6 . 1 1 33 33 GLY H H 33 9.075 9.075 8.639 0.436 19546 1491 1 6 . 1 1 34 34 ILE N N 34 124.988 124.988 119.474 5.514 19546 1492 1 6 . 1 1 34 34 ILE HA H 34 4.863 4.863 4.533 0.330 19546 1493 1 6 . 1 1 34 34 ILE CA C 34 61.053 61.053 60.795 0.258 19546 1494 1 6 . 1 1 34 34 ILE CB C 34 41.339 41.339 42.120 -0.781 19546 1495 1 6 . 1 1 34 34 ILE H H 34 9.654 9.654 8.198 1.456 19546 1496 1 6 . 1 1 35 35 ASN N N 35 129.566 129.566 125.630 3.936 19546 1497 1 6 . 1 1 35 35 ASN HA H 35 5.102 5.102 4.935 0.167 19546 1498 1 6 . 1 1 35 35 ASN CA C 35 52.166 52.166 52.175 -0.008 19546 1499 1 6 . 1 1 35 35 ASN CB C 35 40.191 40.191 39.269 0.922 19546 1500 1 6 . 1 1 35 35 ASN H H 35 9.013 9.013 9.022 -0.009 19546 1501 1 6 . 1 1 36 36 ALA N N 36 125.469 125.469 125.247 0.222 19546 1502 1 6 . 1 1 36 36 ALA HA H 36 5.066 5.066 5.241 -0.175 19546 1503 1 6 . 1 1 36 36 ALA CA C 36 49.445 49.445 48.957 0.488 19546 1504 1 6 . 1 1 36 36 ALA CB C 36 19.884 19.884 20.643 -0.759 19546 1505 1 6 . 1 1 36 36 ALA H H 36 8.205 8.205 7.629 0.576 19546 1506 1 6 . 1 1 37 37 PRO HA H 37 4.415 4.415 4.567 -0.152 19546 1507 1 6 . 1 1 37 37 PRO CA C 37 62.961 62.961 62.302 0.659 19546 1508 1 6 . 1 1 37 37 PRO CB C 37 32.374 32.374 32.794 -0.420 19546 1509 1 6 . 1 1 38 38 LYS N N 38 121.088 121.088 119.970 1.118 19546 1510 1 6 . 1 1 38 38 LYS HA H 38 3.794 3.794 4.144 -0.350 19546 1511 1 6 . 1 1 38 38 LYS CA C 38 58.747 58.747 57.827 0.920 19546 1512 1 6 . 1 1 38 38 LYS CB C 38 31.857 31.857 32.069 -0.212 19546 1513 1 6 . 1 1 38 38 LYS H H 38 8.581 8.581 8.556 0.025 19546 1514 1 6 . 1 1 39 39 ASP N N 39 113.879 113.879 117.416 -3.537 19546 1515 1 6 . 1 1 39 39 ASP HA H 39 4.364 4.364 4.534 -0.170 19546 1516 1 6 . 1 1 39 39 ASP CA C 39 54.027 54.027 55.645 -1.618 19546 1517 1 6 . 1 1 39 39 ASP CB C 39 39.749 39.749 41.086 -1.337 19546 1518 1 6 . 1 1 39 39 ASP H H 39 8.164 8.164 8.078 0.086 19546 1519 1 6 . 1 1 40 40 VAL N N 40 122.755 122.755 115.530 7.225 19546 1520 1 6 . 1 1 40 40 VAL HA H 40 3.975 3.975 4.413 -0.438 19546 1521 1 6 . 1 1 40 40 VAL CA C 40 61.937 61.937 60.000 1.937 19546 1522 1 6 . 1 1 40 40 VAL CB C 40 31.941 31.941 34.576 -2.635 19546 1523 1 6 . 1 1 40 40 VAL H H 40 8.053 8.053 7.453 0.600 19546 1524 1 6 . 1 1 41 41 ALA N N 41 133.718 133.718 127.994 5.724 19546 1525 1 6 . 1 1 41 41 ALA HA H 41 4.445 4.445 4.485 -0.040 19546 1526 1 6 . 1 1 41 41 ALA CA C 41 52.269 52.269 52.540 -0.271 19546 1527 1 6 . 1 1 41 41 ALA CB C 41 19.053 19.053 19.443 -0.390 19546 1528 1 6 . 1 1 41 41 ALA H H 41 8.927 8.927 8.307 0.620 19546 1529 1 6 . 1 1 42 42 VAL N N 42 125.374 125.374 122.899 2.475 19546 1530 1 6 . 1 1 42 42 VAL HA H 42 4.384 4.384 4.329 0.055 19546 1531 1 6 . 1 1 42 42 VAL CA C 42 60.485 60.485 62.327 -1.842 19546 1532 1 6 . 1 1 42 42 VAL CB C 42 33.636 33.636 33.262 0.374 19546 1533 1 6 . 1 1 42 42 VAL H H 42 7.899 7.899 8.015 -0.116 19546 1534 1 6 . 1 1 43 43 HIS N N 43 118.709 118.709 125.238 -6.529 19546 1535 1 6 . 1 1 43 43 HIS HA H 43 5.505 5.505 4.957 0.548 19546 1536 1 6 . 1 1 43 43 HIS CA C 43 53.758 53.758 55.209 -1.451 19546 1537 1 6 . 1 1 43 43 HIS CB C 43 37.671 37.671 32.473 5.198 19546 1538 1 6 . 1 1 43 43 HIS H H 43 8.580 8.580 8.279 0.301 19546 1539 1 6 . 1 1 44 44 ARG N N 44 121.721 121.721 121.087 0.634 19546 1540 1 6 . 1 1 44 44 ARG HA H 44 3.923 3.923 4.327 -0.404 19546 1541 1 6 . 1 1 44 44 ARG CA C 44 58.392 58.392 56.246 2.146 19546 1542 1 6 . 1 1 44 44 ARG H H 44 8.396 8.396 8.688 -0.292 19546 1543 1 6 . 1 1 45 45 GLU N N 45 126.002 126.002 122.346 3.656 19546 1544 1 6 . 1 1 45 45 GLU HA H 45 4.384 4.384 4.046 0.338 19546 1545 1 6 . 1 1 45 45 GLU CA C 45 59.792 59.792 59.144 0.648 19546 1546 1 6 . 1 1 45 45 GLU CB C 45 29.945 29.945 29.178 0.766 19546 1547 1 6 . 1 1 45 45 GLU H H 45 7.892 7.892 8.997 -1.105 19546 1548 1 6 . 1 1 46 46 GLU N N 46 118.201 118.201 118.553 -0.352 19546 1549 1 6 . 1 1 46 46 GLU HA H 46 4.212 4.212 4.218 -0.006 19546 1550 1 6 . 1 1 46 46 GLU CA C 46 58.717 58.717 58.049 0.668 19546 1551 1 6 . 1 1 46 46 GLU CB C 46 27.031 27.031 29.458 -2.427 19546 1552 1 6 . 1 1 46 46 GLU H H 46 10.804 10.804 8.725 2.079 19546 1553 1 6 . 1 1 47 47 ILE N N 47 122.295 122.295 117.768 4.527 19546 1554 1 6 . 1 1 47 47 ILE HA H 47 3.526 3.526 4.106 -0.580 19546 1555 1 6 . 1 1 47 47 ILE CA C 47 60.756 60.756 62.103 -1.347 19546 1556 1 6 . 1 1 47 47 ILE CB C 47 34.770 34.770 40.488 -5.718 19546 1557 1 6 . 1 1 47 47 ILE H H 47 7.177 7.177 7.648 -0.471 19546 1558 1 6 . 1 1 48 48 TYR N N 48 122.359 122.359 122.121 0.238 19546 1559 1 6 . 1 1 48 48 TYR HA H 48 3.542 3.542 3.909 -0.367 19546 1560 1 6 . 1 1 48 48 TYR CA C 48 62.507 62.507 63.083 -0.576 19546 1561 1 6 . 1 1 48 48 TYR CB C 48 39.069 39.069 38.828 0.242 19546 1562 1 6 . 1 1 48 48 TYR H H 48 7.949 7.949 8.876 -0.927 19546 1563 1 6 . 1 1 49 49 GLN N N 49 115.099 115.099 115.287 -0.188 19546 1564 1 6 . 1 1 49 49 GLN HA H 49 3.821 3.821 4.086 -0.265 19546 1565 1 6 . 1 1 49 49 GLN CA C 49 58.633 58.633 57.688 0.945 19546 1566 1 6 . 1 1 49 49 GLN CB C 49 28.038 28.038 28.809 -0.771 19546 1567 1 6 . 1 1 49 49 GLN H H 49 8.597 8.597 8.140 0.457 19546 1568 1 6 . 1 1 50 50 ARG N N 50 120.635 120.635 117.475 3.160 19546 1569 1 6 . 1 1 50 50 ARG HA H 50 3.938 3.938 4.241 -0.303 19546 1570 1 6 . 1 1 50 50 ARG CA C 50 59.616 59.616 57.743 1.873 19546 1571 1 6 . 1 1 50 50 ARG CB C 50 30.462 30.462 30.687 -0.225 19546 1572 1 6 . 1 1 50 50 ARG H H 50 7.134 7.134 7.479 -0.345 19546 1573 1 6 . 1 1 51 51 ILE N N 51 120.637 120.637 120.457 0.180 19546 1574 1 6 . 1 1 51 51 ILE HA H 51 3.521 3.521 3.693 -0.172 19546 1575 1 6 . 1 1 51 51 ILE CA C 51 65.010 65.010 64.305 0.705 19546 1576 1 6 . 1 1 51 51 ILE CB C 51 37.878 37.878 38.107 -0.229 19546 1577 1 6 . 1 1 51 51 ILE H H 51 7.694 7.694 7.741 -0.047 19546 1578 1 6 . 1 1 52 52 GLN N N 52 118.700 118.700 116.596 2.104 19546 1579 1 6 . 1 1 52 52 GLN HA H 52 3.768 3.768 3.986 -0.218 19546 1580 1 6 . 1 1 52 52 GLN CA C 52 57.616 57.616 56.065 1.551 19546 1581 1 6 . 1 1 52 52 GLN CB C 52 28.095 28.095 27.398 0.697 19546 1582 1 6 . 1 1 52 52 GLN H H 52 7.910 7.910 7.632 0.278 19546 1583 1 6 . 1 1 53 53 ALA N N 53 120.010 120.010 120.792 -0.782 19546 1584 1 6 . 1 1 53 53 ALA HA H 53 4.185 4.185 4.178 0.007 19546 1585 1 6 . 1 1 53 53 ALA CA C 53 53.071 53.071 52.836 0.235 19546 1586 1 6 . 1 1 53 53 ALA CB C 53 18.546 18.546 19.319 -0.773 19546 1587 1 6 . 1 1 53 53 ALA H H 53 7.554 7.554 7.076 0.478 19546 1588 1 6 . 1 1 54 54 GLY N N 54 105.898 105.898 104.571 1.327 19546 1589 1 6 . 1 1 54 54 GLY CA C 54 45.605 45.605 44.834 0.771 19546 1590 1 6 . 1 1 54 54 GLY H H 54 7.692 7.692 7.783 -0.091 19546 1591 1 6 . 1 1 55 55 LEU N N 55 120.793 120.793 117.659 3.134 19546 1592 1 6 . 1 1 55 55 LEU HA H 55 4.352 4.352 5.109 -0.757 19546 1593 1 6 . 1 1 55 55 LEU CA C 55 54.964 54.964 53.550 1.414 19546 1594 1 6 . 1 1 55 55 LEU CB C 55 42.006 42.006 42.835 -0.829 19546 1595 1 6 . 1 1 55 55 LEU H H 55 7.669 7.669 7.780 -0.111 19546 1596 1 6 . 1 1 56 56 THR N N 56 114.129 114.129 109.914 4.215 19546 1597 1 6 . 1 1 56 56 THR HA H 56 4.278 4.278 4.448 -0.170 19546 1598 1 6 . 1 1 56 56 THR CA C 56 61.492 61.492 60.215 1.277 19546 1599 1 6 . 1 1 56 56 THR CB C 56 69.957 69.957 70.748 -0.791 19546 1600 1 6 . 1 1 56 56 THR H H 56 7.928 7.928 7.868 0.060 19546 1601 1 6 . 1 1 57 57 ALA N N 57 127.280 127.280 124.155 3.125 19546 1602 1 6 . 1 1 57 57 ALA HA H 57 4.178 4.178 4.342 -0.164 19546 1603 1 6 . 1 1 57 57 ALA CA C 57 50.568 50.568 51.706 -1.137 19546 1604 1 6 . 1 1 57 57 ALA CB C 57 17.738 17.738 18.185 -0.447 19546 1605 1 6 . 1 1 57 57 ALA H H 57 8.110 8.110 8.177 -0.067 19546 1606 1 6 . 1 1 58 58 PRO HA H 58 4.279 4.279 4.579 -0.300 19546 1607 1 6 . 1 1 58 58 PRO CA C 58 63.266 63.266 62.456 0.810 19546 1608 1 6 . 1 1 58 58 PRO CB C 58 31.983 31.983 32.674 -0.691 19546 1609 1 7 . 1 1 2 2 LEU N N 2 124.364 124.364 126.305 -1.941 19546 1610 1 7 . 1 1 2 2 LEU HA H 2 4.547 4.547 4.780 -0.233 19546 1611 1 7 . 1 1 2 2 LEU CA C 2 54.353 54.353 54.406 -0.053 19546 1612 1 7 . 1 1 2 2 LEU CB C 2 42.514 42.514 42.572 -0.058 19546 1613 1 7 . 1 1 2 2 LEU H H 2 8.494 8.494 8.408 0.086 19546 1614 1 7 . 1 1 3 3 ILE N N 3 130.774 130.774 123.820 6.954 19546 1615 1 7 . 1 1 3 3 ILE HA H 3 5.071 5.071 4.322 0.749 19546 1616 1 7 . 1 1 3 3 ILE CA C 3 60.083 60.083 60.937 -0.854 19546 1617 1 7 . 1 1 3 3 ILE CB C 3 37.710 37.710 39.378 -1.668 19546 1618 1 7 . 1 1 3 3 ILE H H 3 10.676 10.676 8.329 2.347 19546 1619 1 7 . 1 1 4 4 LEU N N 4 122.204 122.204 127.317 -5.113 19546 1620 1 7 . 1 1 4 4 LEU HA H 4 4.535 4.535 4.782 -0.247 19546 1621 1 7 . 1 1 4 4 LEU CA C 4 52.555 52.555 53.601 -1.046 19546 1622 1 7 . 1 1 4 4 LEU CB C 4 47.177 47.177 44.325 2.852 19546 1623 1 7 . 1 1 4 4 LEU H H 4 8.587 8.587 8.383 0.204 19546 1624 1 7 . 1 1 5 5 THR N N 5 119.940 119.940 117.296 2.644 19546 1625 1 7 . 1 1 5 5 THR HA H 5 5.476 5.476 4.669 0.807 19546 1626 1 7 . 1 1 5 5 THR CA C 5 61.923 61.923 61.667 0.256 19546 1627 1 7 . 1 1 5 5 THR CB C 5 68.963 68.963 69.590 -0.627 19546 1628 1 7 . 1 1 5 5 THR H H 5 9.161 9.161 8.242 0.919 19546 1629 1 7 . 1 1 6 6 ARG N N 6 126.862 126.862 122.830 4.032 19546 1630 1 7 . 1 1 6 6 ARG HA H 6 5.023 5.023 4.964 0.059 19546 1631 1 7 . 1 1 6 6 ARG CA C 6 55.325 55.325 54.735 0.590 19546 1632 1 7 . 1 1 6 6 ARG CB C 6 38.076 38.076 33.601 4.475 19546 1633 1 7 . 1 1 6 6 ARG H H 6 9.619 9.619 8.409 1.210 19546 1634 1 7 . 1 1 7 7 LYS N N 7 123.703 123.703 120.025 3.678 19546 1635 1 7 . 1 1 7 7 LYS HA H 7 5.069 5.069 4.685 0.384 19546 1636 1 7 . 1 1 7 7 LYS CA C 7 54.427 54.427 54.878 -0.451 19546 1637 1 7 . 1 1 7 7 LYS CB C 7 34.217 34.217 35.428 -1.212 19546 1638 1 7 . 1 1 7 7 LYS H H 7 9.450 9.450 8.915 0.535 19546 1639 1 7 . 1 1 8 8 VAL N N 8 118.617 118.617 120.654 -2.037 19546 1640 1 7 . 1 1 8 8 VAL HA H 8 3.315 3.315 3.667 -0.352 19546 1641 1 7 . 1 1 8 8 VAL CA C 8 66.050 66.050 64.242 1.808 19546 1642 1 7 . 1 1 8 8 VAL CB C 8 31.491 31.491 30.702 0.789 19546 1643 1 7 . 1 1 8 8 VAL H H 8 7.741 7.741 8.487 -0.746 19546 1644 1 7 . 1 1 9 9 GLY N N 9 116.069 116.069 115.145 0.924 19546 1645 1 7 . 1 1 9 9 GLY CA C 9 44.524 44.524 44.672 -0.149 19546 1646 1 7 . 1 1 9 9 GLY H H 9 9.269 9.269 8.811 0.458 19546 1647 1 7 . 1 1 10 10 GLU N N 10 119.364 119.364 119.716 -0.352 19546 1648 1 7 . 1 1 10 10 GLU HA H 10 4.891 4.891 4.805 0.086 19546 1649 1 7 . 1 1 10 10 GLU CA C 10 55.788 55.788 54.331 1.457 19546 1650 1 7 . 1 1 10 10 GLU CB C 10 32.873 32.873 33.022 -0.149 19546 1651 1 7 . 1 1 10 10 GLU H H 10 8.426 8.426 7.988 0.438 19546 1652 1 7 . 1 1 11 11 SER N N 11 112.510 112.510 113.295 -0.785 19546 1653 1 7 . 1 1 11 11 SER HA H 11 5.882 5.882 5.287 0.595 19546 1654 1 7 . 1 1 11 11 SER CA C 11 57.997 57.997 57.110 0.887 19546 1655 1 7 . 1 1 11 11 SER CB C 11 66.884 66.884 66.045 0.839 19546 1656 1 7 . 1 1 11 11 SER H H 11 8.672 8.672 8.347 0.325 19546 1657 1 7 . 1 1 12 12 ILE N N 12 124.592 124.592 119.394 5.198 19546 1658 1 7 . 1 1 12 12 ILE HA H 12 4.365 4.365 4.567 -0.202 19546 1659 1 7 . 1 1 12 12 ILE CA C 12 59.814 59.814 59.137 0.677 19546 1660 1 7 . 1 1 12 12 ILE CB C 12 42.616 42.616 42.535 0.081 19546 1661 1 7 . 1 1 12 12 ILE H H 12 9.265 9.265 8.806 0.459 19546 1662 1 7 . 1 1 13 13 ASN N N 13 126.127 126.127 121.296 4.831 19546 1663 1 7 . 1 1 13 13 ASN HA H 13 4.947 4.947 5.058 -0.111 19546 1664 1 7 . 1 1 13 13 ASN CA C 13 53.571 53.571 52.272 1.299 19546 1665 1 7 . 1 1 13 13 ASN CB C 13 41.491 41.491 41.865 -0.374 19546 1666 1 7 . 1 1 13 13 ASN H H 13 9.318 9.318 8.370 0.948 19546 1667 1 7 . 1 1 14 14 ILE N N 14 123.984 123.984 123.269 0.715 19546 1668 1 7 . 1 1 14 14 ILE HA H 14 4.475 4.475 4.448 0.027 19546 1669 1 7 . 1 1 14 14 ILE CA C 14 60.582 60.582 60.419 0.163 19546 1670 1 7 . 1 1 14 14 ILE CB C 14 38.573 38.573 40.845 -2.272 19546 1671 1 7 . 1 1 14 14 ILE H H 14 8.392 8.392 8.801 -0.409 19546 1672 1 7 . 1 1 15 15 GLY N N 15 115.533 115.533 113.206 2.327 19546 1673 1 7 . 1 1 15 15 GLY CA C 15 45.893 45.893 46.214 -0.321 19546 1674 1 7 . 1 1 15 15 GLY H H 15 9.148 9.148 8.595 0.553 19546 1675 1 7 . 1 1 16 16 ASP N N 16 121.039 121.039 119.257 1.782 19546 1676 1 7 . 1 1 16 16 ASP HA H 16 4.969 4.969 4.563 0.406 19546 1677 1 7 . 1 1 16 16 ASP CA C 16 55.256 55.256 54.788 0.468 19546 1678 1 7 . 1 1 16 16 ASP CB C 16 42.342 42.342 40.963 1.379 19546 1679 1 7 . 1 1 16 16 ASP H H 16 8.809 8.809 7.875 0.934 19546 1680 1 7 . 1 1 17 17 ASP N N 17 115.538 115.538 114.066 1.472 19546 1681 1 7 . 1 1 17 17 ASP HA H 17 4.749 4.749 4.443 0.306 19546 1682 1 7 . 1 1 17 17 ASP CA C 17 54.134 54.134 54.730 -0.597 19546 1683 1 7 . 1 1 17 17 ASP CB C 17 42.578 42.578 39.361 3.217 19546 1684 1 7 . 1 1 17 17 ASP H H 17 8.140 8.140 7.869 0.271 19546 1685 1 7 . 1 1 18 18 ILE N N 18 118.702 118.702 118.416 0.286 19546 1686 1 7 . 1 1 18 18 ILE HA H 18 5.239 5.239 4.983 0.256 19546 1687 1 7 . 1 1 18 18 ILE CA C 18 60.037 60.037 60.305 -0.268 19546 1688 1 7 . 1 1 18 18 ILE CB C 18 39.755 39.755 42.586 -2.830 19546 1689 1 7 . 1 1 18 18 ILE H H 18 7.183 7.183 8.579 -1.396 19546 1690 1 7 . 1 1 19 19 THR N N 19 122.806 122.806 120.285 2.521 19546 1691 1 7 . 1 1 19 19 THR HA H 19 5.110 5.110 4.987 0.123 19546 1692 1 7 . 1 1 19 19 THR CA C 19 60.845 60.845 61.388 -0.543 19546 1693 1 7 . 1 1 19 19 THR CB C 19 71.703 71.703 71.865 -0.161 19546 1694 1 7 . 1 1 19 19 THR H H 19 8.993 8.993 8.328 0.665 19546 1695 1 7 . 1 1 20 20 ILE N N 20 123.302 123.302 121.481 1.821 19546 1696 1 7 . 1 1 20 20 ILE HA H 20 4.891 4.891 4.944 -0.053 19546 1697 1 7 . 1 1 20 20 ILE CA C 20 58.946 58.946 59.021 -0.075 19546 1698 1 7 . 1 1 20 20 ILE CB C 20 40.382 40.382 41.967 -1.585 19546 1699 1 7 . 1 1 20 20 ILE H H 20 8.918 8.918 9.083 -0.165 19546 1700 1 7 . 1 1 21 21 THR N N 21 123.751 123.751 118.584 5.167 19546 1701 1 7 . 1 1 21 21 THR HA H 21 4.837 4.837 4.995 -0.158 19546 1702 1 7 . 1 1 21 21 THR CA C 21 61.523 61.523 61.416 0.106 19546 1703 1 7 . 1 1 21 21 THR CB C 21 71.939 71.939 72.236 -0.297 19546 1704 1 7 . 1 1 21 21 THR H H 21 9.398 9.398 8.763 0.635 19546 1705 1 7 . 1 1 22 22 ILE N N 22 125.736 125.736 126.096 -0.360 19546 1706 1 7 . 1 1 22 22 ILE HA H 22 4.119 4.119 4.513 -0.394 19546 1707 1 7 . 1 1 22 22 ILE CA C 22 59.111 59.111 58.624 0.487 19546 1708 1 7 . 1 1 22 22 ILE CB C 22 33.929 33.929 38.394 -4.465 19546 1709 1 7 . 1 1 22 22 ILE H H 22 8.053 8.053 8.504 -0.451 19546 1710 1 7 . 1 1 23 23 LEU N N 23 129.499 129.499 128.980 0.519 19546 1711 1 7 . 1 1 23 23 LEU HA H 23 4.529 4.529 4.355 0.174 19546 1712 1 7 . 1 1 23 23 LEU CA C 23 55.574 55.574 55.996 -0.422 19546 1713 1 7 . 1 1 23 23 LEU CB C 23 41.923 41.923 42.041 -0.117 19546 1714 1 7 . 1 1 23 23 LEU H H 23 8.890 8.890 8.421 0.469 19546 1715 1 7 . 1 1 24 24 GLY N N 24 104.858 104.858 103.578 1.280 19546 1716 1 7 . 1 1 24 24 GLY CA C 24 46.001 46.001 45.311 0.690 19546 1717 1 7 . 1 1 24 24 GLY H H 24 7.565 7.565 7.676 -0.111 19546 1718 1 7 . 1 1 25 25 VAL N N 25 120.794 120.794 118.795 1.999 19546 1719 1 7 . 1 1 25 25 VAL HA H 25 4.670 4.670 4.542 0.128 19546 1720 1 7 . 1 1 25 25 VAL CA C 25 61.459 61.459 60.151 1.308 19546 1721 1 7 . 1 1 25 25 VAL CB C 25 35.692 35.692 35.348 0.344 19546 1722 1 7 . 1 1 25 25 VAL H H 25 8.477 8.477 8.318 0.159 19546 1723 1 7 . 1 1 26 26 SER N N 26 122.022 122.022 122.651 -0.629 19546 1724 1 7 . 1 1 26 26 SER HA H 26 4.691 4.691 4.697 -0.006 19546 1725 1 7 . 1 1 26 26 SER CA C 26 56.322 56.322 57.912 -1.590 19546 1726 1 7 . 1 1 26 26 SER CB C 26 63.731 63.731 63.913 -0.182 19546 1727 1 7 . 1 1 26 26 SER H H 26 8.619 8.619 8.805 -0.186 19546 1728 1 7 . 1 1 27 27 GLY N N 27 118.775 118.775 112.575 6.200 19546 1729 1 7 . 1 1 27 27 GLY CA C 27 47.626 47.626 45.568 2.058 19546 1730 1 7 . 1 1 27 27 GLY H H 27 8.969 8.969 8.190 0.779 19546 1731 1 7 . 1 1 28 28 GLN N N 28 124.390 124.390 124.486 -0.096 19546 1732 1 7 . 1 1 28 28 GLN HA H 28 4.324 4.324 4.249 0.075 19546 1733 1 7 . 1 1 28 28 GLN CA C 28 54.980 54.980 56.476 -1.496 19546 1734 1 7 . 1 1 28 28 GLN CB C 28 29.553 29.553 28.938 0.615 19546 1735 1 7 . 1 1 28 28 GLN H H 28 8.761 8.761 8.643 0.118 19546 1736 1 7 . 1 1 29 29 GLN N N 29 116.885 116.885 118.382 -1.497 19546 1737 1 7 . 1 1 29 29 GLN HA H 29 4.651 4.651 4.616 0.035 19546 1738 1 7 . 1 1 29 29 GLN CA C 29 55.364 55.364 55.122 0.242 19546 1739 1 7 . 1 1 29 29 GLN CB C 29 31.289 31.289 31.806 -0.517 19546 1740 1 7 . 1 1 29 29 GLN H H 29 8.307 8.307 7.504 0.803 19546 1741 1 7 . 1 1 30 30 VAL N N 30 123.399 123.399 119.725 3.674 19546 1742 1 7 . 1 1 30 30 VAL HA H 30 4.602 4.602 4.273 0.329 19546 1743 1 7 . 1 1 30 30 VAL CA C 30 60.710 60.710 61.178 -0.468 19546 1744 1 7 . 1 1 30 30 VAL CB C 30 34.560 34.560 35.132 -0.572 19546 1745 1 7 . 1 1 30 30 VAL H H 30 9.103 9.103 8.339 0.764 19546 1746 1 7 . 1 1 31 31 ARG N N 31 128.722 128.722 126.237 2.485 19546 1747 1 7 . 1 1 31 31 ARG HA H 31 4.659 4.659 4.821 -0.162 19546 1748 1 7 . 1 1 31 31 ARG CA C 31 55.755 55.755 54.181 1.574 19546 1749 1 7 . 1 1 31 31 ARG CB C 31 31.871 31.871 31.844 0.027 19546 1750 1 7 . 1 1 31 31 ARG H H 31 8.750 8.750 8.660 0.090 19546 1751 1 7 . 1 1 32 32 ILE N N 32 127.760 127.760 119.290 8.470 19546 1752 1 7 . 1 1 32 32 ILE HA H 32 4.652 4.652 5.120 -0.468 19546 1753 1 7 . 1 1 32 32 ILE CA C 32 59.738 59.738 58.691 1.046 19546 1754 1 7 . 1 1 32 32 ILE CB C 32 41.082 41.082 42.322 -1.240 19546 1755 1 7 . 1 1 32 32 ILE H H 32 9.069 9.069 8.510 0.559 19546 1756 1 7 . 1 1 33 33 GLY N N 33 112.098 112.098 109.227 2.871 19546 1757 1 7 . 1 1 33 33 GLY CA C 33 44.565 44.565 43.726 0.839 19546 1758 1 7 . 1 1 33 33 GLY H H 33 9.075 9.075 8.606 0.469 19546 1759 1 7 . 1 1 34 34 ILE N N 34 124.988 124.988 119.005 5.983 19546 1760 1 7 . 1 1 34 34 ILE HA H 34 4.863 4.863 4.609 0.254 19546 1761 1 7 . 1 1 34 34 ILE CA C 34 61.053 61.053 60.700 0.353 19546 1762 1 7 . 1 1 34 34 ILE CB C 34 41.339 41.339 41.933 -0.594 19546 1763 1 7 . 1 1 34 34 ILE H H 34 9.654 9.654 8.248 1.406 19546 1764 1 7 . 1 1 35 35 ASN N N 35 129.566 129.566 124.715 4.851 19546 1765 1 7 . 1 1 35 35 ASN HA H 35 5.102 5.102 4.978 0.124 19546 1766 1 7 . 1 1 35 35 ASN CA C 35 52.166 52.166 52.690 -0.524 19546 1767 1 7 . 1 1 35 35 ASN CB C 35 40.191 40.191 39.038 1.153 19546 1768 1 7 . 1 1 35 35 ASN H H 35 9.013 9.013 9.008 0.005 19546 1769 1 7 . 1 1 36 36 ALA N N 36 125.469 125.469 123.790 1.679 19546 1770 1 7 . 1 1 36 36 ALA HA H 36 5.066 5.066 4.961 0.105 19546 1771 1 7 . 1 1 36 36 ALA CA C 36 49.445 49.445 48.915 0.530 19546 1772 1 7 . 1 1 36 36 ALA CB C 36 19.884 19.884 20.498 -0.615 19546 1773 1 7 . 1 1 36 36 ALA H H 36 8.205 8.205 7.866 0.339 19546 1774 1 7 . 1 1 37 37 PRO HA H 37 4.415 4.415 4.549 -0.134 19546 1775 1 7 . 1 1 37 37 PRO CA C 37 62.961 62.961 62.404 0.557 19546 1776 1 7 . 1 1 37 37 PRO CB C 37 32.374 32.374 32.693 -0.319 19546 1777 1 7 . 1 1 38 38 LYS N N 38 121.088 121.088 120.553 0.535 19546 1778 1 7 . 1 1 38 38 LYS HA H 38 3.794 3.794 4.145 -0.351 19546 1779 1 7 . 1 1 38 38 LYS CA C 38 58.747 58.747 57.875 0.872 19546 1780 1 7 . 1 1 38 38 LYS CB C 38 31.857 31.857 32.086 -0.229 19546 1781 1 7 . 1 1 38 38 LYS H H 38 8.581 8.581 8.543 0.038 19546 1782 1 7 . 1 1 39 39 ASP N N 39 113.879 113.879 117.501 -3.622 19546 1783 1 7 . 1 1 39 39 ASP HA H 39 4.364 4.364 4.561 -0.197 19546 1784 1 7 . 1 1 39 39 ASP CA C 39 54.027 54.027 55.487 -1.460 19546 1785 1 7 . 1 1 39 39 ASP CB C 39 39.749 39.749 41.135 -1.386 19546 1786 1 7 . 1 1 39 39 ASP H H 39 8.164 8.164 8.056 0.108 19546 1787 1 7 . 1 1 40 40 VAL N N 40 122.755 122.755 116.098 6.657 19546 1788 1 7 . 1 1 40 40 VAL HA H 40 3.975 3.975 4.412 -0.437 19546 1789 1 7 . 1 1 40 40 VAL CA C 40 61.937 61.937 60.022 1.915 19546 1790 1 7 . 1 1 40 40 VAL CB C 40 31.941 31.941 34.389 -2.448 19546 1791 1 7 . 1 1 40 40 VAL H H 40 8.053 8.053 7.485 0.568 19546 1792 1 7 . 1 1 41 41 ALA N N 41 133.718 133.718 127.805 5.913 19546 1793 1 7 . 1 1 41 41 ALA HA H 41 4.445 4.445 4.389 0.056 19546 1794 1 7 . 1 1 41 41 ALA CA C 41 52.269 52.269 52.493 -0.224 19546 1795 1 7 . 1 1 41 41 ALA CB C 41 19.053 19.053 19.253 -0.200 19546 1796 1 7 . 1 1 41 41 ALA H H 41 8.927 8.927 8.195 0.732 19546 1797 1 7 . 1 1 42 42 VAL N N 42 125.374 125.374 124.414 0.960 19546 1798 1 7 . 1 1 42 42 VAL HA H 42 4.384 4.384 4.437 -0.053 19546 1799 1 7 . 1 1 42 42 VAL CA C 42 60.485 60.485 62.987 -2.502 19546 1800 1 7 . 1 1 42 42 VAL CB C 42 33.636 33.636 33.462 0.174 19546 1801 1 7 . 1 1 42 42 VAL H H 42 7.899 7.899 8.691 -0.792 19546 1802 1 7 . 1 1 43 43 HIS N N 43 118.709 118.709 124.990 -6.281 19546 1803 1 7 . 1 1 43 43 HIS HA H 43 5.505 5.505 5.068 0.437 19546 1804 1 7 . 1 1 43 43 HIS CA C 43 53.758 53.758 54.871 -1.113 19546 1805 1 7 . 1 1 43 43 HIS CB C 43 37.671 37.671 33.075 4.596 19546 1806 1 7 . 1 1 43 43 HIS H H 43 8.580 8.580 8.626 -0.046 19546 1807 1 7 . 1 1 44 44 ARG N N 44 121.721 121.721 120.596 1.125 19546 1808 1 7 . 1 1 44 44 ARG HA H 44 3.923 3.923 4.577 -0.654 19546 1809 1 7 . 1 1 44 44 ARG CA C 44 58.392 58.392 54.672 3.720 19546 1810 1 7 . 1 1 44 44 ARG H H 44 8.396 8.396 8.866 -0.470 19546 1811 1 7 . 1 1 45 45 GLU N N 45 126.002 126.002 122.869 3.133 19546 1812 1 7 . 1 1 45 45 GLU HA H 45 4.384 4.384 4.042 0.342 19546 1813 1 7 . 1 1 45 45 GLU CA C 45 59.792 59.792 59.194 0.598 19546 1814 1 7 . 1 1 45 45 GLU CB C 45 29.945 29.945 28.901 1.044 19546 1815 1 7 . 1 1 45 45 GLU H H 45 7.892 7.892 8.884 -0.992 19546 1816 1 7 . 1 1 46 46 GLU N N 46 118.201 118.201 117.901 0.300 19546 1817 1 7 . 1 1 46 46 GLU HA H 46 4.212 4.212 4.241 -0.029 19546 1818 1 7 . 1 1 46 46 GLU CA C 46 58.717 58.717 58.138 0.579 19546 1819 1 7 . 1 1 46 46 GLU CB C 46 27.031 27.031 29.107 -2.076 19546 1820 1 7 . 1 1 46 46 GLU H H 46 10.804 10.804 8.793 2.011 19546 1821 1 7 . 1 1 47 47 ILE N N 47 122.295 122.295 117.889 4.406 19546 1822 1 7 . 1 1 47 47 ILE HA H 47 3.526 3.526 4.163 -0.637 19546 1823 1 7 . 1 1 47 47 ILE CA C 47 60.756 60.756 61.992 -1.236 19546 1824 1 7 . 1 1 47 47 ILE CB C 47 34.770 34.770 40.424 -5.654 19546 1825 1 7 . 1 1 47 47 ILE H H 47 7.177 7.177 7.915 -0.738 19546 1826 1 7 . 1 1 48 48 TYR N N 48 122.359 122.359 122.875 -0.516 19546 1827 1 7 . 1 1 48 48 TYR HA H 48 3.542 3.542 3.956 -0.414 19546 1828 1 7 . 1 1 48 48 TYR CA C 48 62.507 62.507 62.279 0.228 19546 1829 1 7 . 1 1 48 48 TYR CB C 48 39.069 39.069 38.715 0.354 19546 1830 1 7 . 1 1 48 48 TYR H H 48 7.949 7.949 8.757 -0.808 19546 1831 1 7 . 1 1 49 49 GLN N N 49 115.099 115.099 115.460 -0.361 19546 1832 1 7 . 1 1 49 49 GLN HA H 49 3.821 3.821 4.075 -0.254 19546 1833 1 7 . 1 1 49 49 GLN CA C 49 58.633 58.633 57.674 0.959 19546 1834 1 7 . 1 1 49 49 GLN CB C 49 28.038 28.038 28.786 -0.748 19546 1835 1 7 . 1 1 49 49 GLN H H 49 8.597 8.597 8.068 0.529 19546 1836 1 7 . 1 1 50 50 ARG N N 50 120.635 120.635 117.559 3.076 19546 1837 1 7 . 1 1 50 50 ARG HA H 50 3.938 3.938 4.241 -0.303 19546 1838 1 7 . 1 1 50 50 ARG CA C 50 59.616 59.616 57.844 1.772 19546 1839 1 7 . 1 1 50 50 ARG CB C 50 30.462 30.462 30.729 -0.267 19546 1840 1 7 . 1 1 50 50 ARG H H 50 7.134 7.134 7.641 -0.507 19546 1841 1 7 . 1 1 51 51 ILE N N 51 120.637 120.637 120.302 0.335 19546 1842 1 7 . 1 1 51 51 ILE HA H 51 3.521 3.521 3.702 -0.181 19546 1843 1 7 . 1 1 51 51 ILE CA C 51 65.010 65.010 64.240 0.770 19546 1844 1 7 . 1 1 51 51 ILE CB C 51 37.878 37.878 38.052 -0.174 19546 1845 1 7 . 1 1 51 51 ILE H H 51 7.694 7.694 7.407 0.287 19546 1846 1 7 . 1 1 52 52 GLN N N 52 118.700 118.700 116.556 2.144 19546 1847 1 7 . 1 1 52 52 GLN HA H 52 3.768 3.768 3.986 -0.218 19546 1848 1 7 . 1 1 52 52 GLN CA C 52 57.616 57.616 56.031 1.585 19546 1849 1 7 . 1 1 52 52 GLN CB C 52 28.095 28.095 27.380 0.715 19546 1850 1 7 . 1 1 52 52 GLN H H 52 7.910 7.910 7.584 0.326 19546 1851 1 7 . 1 1 53 53 ALA N N 53 120.010 120.010 120.874 -0.864 19546 1852 1 7 . 1 1 53 53 ALA HA H 53 4.185 4.185 4.180 0.005 19546 1853 1 7 . 1 1 53 53 ALA CA C 53 53.071 53.071 52.837 0.234 19546 1854 1 7 . 1 1 53 53 ALA CB C 53 18.546 18.546 19.310 -0.764 19546 1855 1 7 . 1 1 53 53 ALA H H 53 7.554 7.554 7.114 0.440 19546 1856 1 7 . 1 1 54 54 GLY N N 54 105.898 105.898 104.586 1.312 19546 1857 1 7 . 1 1 54 54 GLY CA C 54 45.605 45.605 44.824 0.781 19546 1858 1 7 . 1 1 54 54 GLY H H 54 7.692 7.692 7.779 -0.087 19546 1859 1 7 . 1 1 55 55 LEU N N 55 120.793 120.793 117.680 3.113 19546 1860 1 7 . 1 1 55 55 LEU HA H 55 4.352 4.352 5.112 -0.760 19546 1861 1 7 . 1 1 55 55 LEU CA C 55 54.964 54.964 53.539 1.425 19546 1862 1 7 . 1 1 55 55 LEU CB C 55 42.006 42.006 42.819 -0.812 19546 1863 1 7 . 1 1 55 55 LEU H H 55 7.669 7.669 7.787 -0.118 19546 1864 1 7 . 1 1 56 56 THR N N 56 114.129 114.129 109.906 4.223 19546 1865 1 7 . 1 1 56 56 THR HA H 56 4.278 4.278 4.453 -0.175 19546 1866 1 7 . 1 1 56 56 THR CA C 56 61.492 61.492 60.257 1.235 19546 1867 1 7 . 1 1 56 56 THR CB C 56 69.957 69.957 70.721 -0.764 19546 1868 1 7 . 1 1 56 56 THR H H 56 7.928 7.928 7.870 0.058 19546 1869 1 7 . 1 1 57 57 ALA N N 57 127.280 127.280 124.078 3.202 19546 1870 1 7 . 1 1 57 57 ALA HA H 57 4.178 4.178 4.367 -0.189 19546 1871 1 7 . 1 1 57 57 ALA CA C 57 50.568 50.568 51.708 -1.140 19546 1872 1 7 . 1 1 57 57 ALA CB C 57 17.738 17.738 18.154 -0.416 19546 1873 1 7 . 1 1 57 57 ALA H H 57 8.110 8.110 8.197 -0.087 19546 1874 1 7 . 1 1 58 58 PRO HA H 58 4.279 4.279 4.530 -0.251 19546 1875 1 7 . 1 1 58 58 PRO CA C 58 63.266 63.266 62.533 0.733 19546 1876 1 7 . 1 1 58 58 PRO CB C 58 31.983 31.983 32.579 -0.596 19546 1877 1 8 . 1 1 2 2 LEU N N 2 124.364 124.364 125.735 -1.371 19546 1878 1 8 . 1 1 2 2 LEU HA H 2 4.547 4.547 4.674 -0.127 19546 1879 1 8 . 1 1 2 2 LEU CA C 2 54.353 54.353 54.520 -0.167 19546 1880 1 8 . 1 1 2 2 LEU CB C 2 42.514 42.514 42.548 -0.034 19546 1881 1 8 . 1 1 2 2 LEU H H 2 8.494 8.494 8.341 0.153 19546 1882 1 8 . 1 1 3 3 ILE N N 3 130.774 130.774 123.431 7.343 19546 1883 1 8 . 1 1 3 3 ILE HA H 3 5.071 5.071 4.453 0.618 19546 1884 1 8 . 1 1 3 3 ILE CA C 3 60.083 60.083 60.943 -0.860 19546 1885 1 8 . 1 1 3 3 ILE CB C 3 37.710 37.710 40.062 -2.353 19546 1886 1 8 . 1 1 3 3 ILE H H 3 10.676 10.676 8.341 2.335 19546 1887 1 8 . 1 1 4 4 LEU N N 4 122.204 122.204 125.900 -3.696 19546 1888 1 8 . 1 1 4 4 LEU HA H 4 4.535 4.535 4.799 -0.264 19546 1889 1 8 . 1 1 4 4 LEU CA C 4 52.555 52.555 54.111 -1.556 19546 1890 1 8 . 1 1 4 4 LEU CB C 4 47.177 47.177 44.869 2.308 19546 1891 1 8 . 1 1 4 4 LEU H H 4 8.587 8.587 8.264 0.323 19546 1892 1 8 . 1 1 5 5 THR N N 5 119.940 119.940 115.594 4.346 19546 1893 1 8 . 1 1 5 5 THR HA H 5 5.476 5.476 4.889 0.587 19546 1894 1 8 . 1 1 5 5 THR CA C 5 61.923 61.923 61.549 0.374 19546 1895 1 8 . 1 1 5 5 THR CB C 5 68.963 68.963 70.654 -1.691 19546 1896 1 8 . 1 1 5 5 THR H H 5 9.161 9.161 8.116 1.045 19546 1897 1 8 . 1 1 6 6 ARG N N 6 126.862 126.862 123.238 3.624 19546 1898 1 8 . 1 1 6 6 ARG HA H 6 5.023 5.023 4.646 0.377 19546 1899 1 8 . 1 1 6 6 ARG CA C 6 55.325 55.325 54.962 0.362 19546 1900 1 8 . 1 1 6 6 ARG CB C 6 38.076 38.076 33.179 4.897 19546 1901 1 8 . 1 1 6 6 ARG H H 6 9.619 9.619 8.491 1.128 19546 1902 1 8 . 1 1 7 7 LYS N N 7 123.703 123.703 121.012 2.691 19546 1903 1 8 . 1 1 7 7 LYS HA H 7 5.069 5.069 4.575 0.494 19546 1904 1 8 . 1 1 7 7 LYS CA C 7 54.427 54.427 54.988 -0.561 19546 1905 1 8 . 1 1 7 7 LYS CB C 7 34.217 34.217 34.992 -0.776 19546 1906 1 8 . 1 1 7 7 LYS H H 7 9.450 9.450 8.522 0.928 19546 1907 1 8 . 1 1 8 8 VAL N N 8 118.617 118.617 122.307 -3.690 19546 1908 1 8 . 1 1 8 8 VAL HA H 8 3.315 3.315 3.699 -0.384 19546 1909 1 8 . 1 1 8 8 VAL CA C 8 66.050 66.050 64.364 1.686 19546 1910 1 8 . 1 1 8 8 VAL CB C 8 31.491 31.491 30.216 1.275 19546 1911 1 8 . 1 1 8 8 VAL H H 8 7.741 7.741 8.545 -0.804 19546 1912 1 8 . 1 1 9 9 GLY N N 9 116.069 116.069 116.690 -0.621 19546 1913 1 8 . 1 1 9 9 GLY CA C 9 44.524 44.524 44.786 -0.262 19546 1914 1 8 . 1 1 9 9 GLY H H 9 9.269 9.269 9.143 0.126 19546 1915 1 8 . 1 1 10 10 GLU N N 10 119.364 119.364 121.105 -1.741 19546 1916 1 8 . 1 1 10 10 GLU HA H 10 4.891 4.891 4.656 0.235 19546 1917 1 8 . 1 1 10 10 GLU CA C 10 55.788 55.788 55.632 0.156 19546 1918 1 8 . 1 1 10 10 GLU CB C 10 32.873 32.873 31.195 1.677 19546 1919 1 8 . 1 1 10 10 GLU H H 10 8.426 8.426 8.351 0.075 19546 1920 1 8 . 1 1 11 11 SER N N 11 112.510 112.510 112.825 -0.315 19546 1921 1 8 . 1 1 11 11 SER HA H 11 5.882 5.882 5.252 0.630 19546 1922 1 8 . 1 1 11 11 SER CA C 11 57.997 57.997 57.193 0.804 19546 1923 1 8 . 1 1 11 11 SER CB C 11 66.884 66.884 66.472 0.412 19546 1924 1 8 . 1 1 11 11 SER H H 11 8.672 8.672 8.282 0.390 19546 1925 1 8 . 1 1 12 12 ILE N N 12 124.592 124.592 119.969 4.623 19546 1926 1 8 . 1 1 12 12 ILE HA H 12 4.365 4.365 4.499 -0.134 19546 1927 1 8 . 1 1 12 12 ILE CA C 12 59.814 59.814 59.350 0.464 19546 1928 1 8 . 1 1 12 12 ILE CB C 12 42.616 42.616 42.416 0.200 19546 1929 1 8 . 1 1 12 12 ILE H H 12 9.265 9.265 8.926 0.339 19546 1930 1 8 . 1 1 13 13 ASN N N 13 126.127 126.127 120.593 5.534 19546 1931 1 8 . 1 1 13 13 ASN HA H 13 4.947 4.947 5.267 -0.320 19546 1932 1 8 . 1 1 13 13 ASN CA C 13 53.571 53.571 52.601 0.970 19546 1933 1 8 . 1 1 13 13 ASN CB C 13 41.491 41.491 41.995 -0.504 19546 1934 1 8 . 1 1 13 13 ASN H H 13 9.318 9.318 8.492 0.826 19546 1935 1 8 . 1 1 14 14 ILE N N 14 123.984 123.984 120.796 3.188 19546 1936 1 8 . 1 1 14 14 ILE HA H 14 4.475 4.475 4.476 -0.001 19546 1937 1 8 . 1 1 14 14 ILE CA C 14 60.582 60.582 60.629 -0.047 19546 1938 1 8 . 1 1 14 14 ILE CB C 14 38.573 38.573 41.783 -3.210 19546 1939 1 8 . 1 1 14 14 ILE H H 14 8.392 8.392 8.578 -0.186 19546 1940 1 8 . 1 1 15 15 GLY N N 15 115.533 115.533 112.243 3.290 19546 1941 1 8 . 1 1 15 15 GLY CA C 15 45.893 45.893 46.456 -0.562 19546 1942 1 8 . 1 1 15 15 GLY H H 15 9.148 9.148 8.601 0.547 19546 1943 1 8 . 1 1 16 16 ASP N N 16 121.039 121.039 121.680 -0.641 19546 1944 1 8 . 1 1 16 16 ASP HA H 16 4.969 4.969 4.736 0.234 19546 1945 1 8 . 1 1 16 16 ASP CA C 16 55.256 55.256 54.399 0.857 19546 1946 1 8 . 1 1 16 16 ASP CB C 16 42.342 42.342 41.400 0.942 19546 1947 1 8 . 1 1 16 16 ASP H H 16 8.809 8.809 8.265 0.544 19546 1948 1 8 . 1 1 17 17 ASP N N 17 115.538 115.538 118.933 -3.395 19546 1949 1 8 . 1 1 17 17 ASP HA H 17 4.749 4.749 4.786 -0.037 19546 1950 1 8 . 1 1 17 17 ASP CA C 17 54.134 54.134 54.115 0.018 19546 1951 1 8 . 1 1 17 17 ASP CB C 17 42.578 42.578 43.772 -1.194 19546 1952 1 8 . 1 1 17 17 ASP H H 17 8.140 8.140 8.022 0.118 19546 1953 1 8 . 1 1 18 18 ILE N N 18 118.702 118.702 120.585 -1.883 19546 1954 1 8 . 1 1 18 18 ILE HA H 18 5.239 5.239 4.654 0.585 19546 1955 1 8 . 1 1 18 18 ILE CA C 18 60.037 60.037 60.394 -0.357 19546 1956 1 8 . 1 1 18 18 ILE CB C 18 39.755 39.755 41.017 -1.262 19546 1957 1 8 . 1 1 18 18 ILE H H 18 7.183 7.183 7.699 -0.516 19546 1958 1 8 . 1 1 19 19 THR N N 19 122.806 122.806 122.796 0.010 19546 1959 1 8 . 1 1 19 19 THR HA H 19 5.110 5.110 4.971 0.139 19546 1960 1 8 . 1 1 19 19 THR CA C 19 60.845 60.845 61.477 -0.632 19546 1961 1 8 . 1 1 19 19 THR CB C 19 71.703 71.703 71.925 -0.222 19546 1962 1 8 . 1 1 19 19 THR H H 19 8.993 8.993 8.095 0.898 19546 1963 1 8 . 1 1 20 20 ILE N N 20 123.302 123.302 122.621 0.681 19546 1964 1 8 . 1 1 20 20 ILE HA H 20 4.891 4.891 4.930 -0.039 19546 1965 1 8 . 1 1 20 20 ILE CA C 20 58.946 58.946 58.881 0.065 19546 1966 1 8 . 1 1 20 20 ILE CB C 20 40.382 40.382 41.680 -1.298 19546 1967 1 8 . 1 1 20 20 ILE H H 20 8.918 8.918 9.064 -0.146 19546 1968 1 8 . 1 1 21 21 THR N N 21 123.751 123.751 118.955 4.796 19546 1969 1 8 . 1 1 21 21 THR HA H 21 4.837 4.837 4.937 -0.100 19546 1970 1 8 . 1 1 21 21 THR CA C 21 61.523 61.523 61.447 0.076 19546 1971 1 8 . 1 1 21 21 THR CB C 21 71.939 71.939 72.263 -0.323 19546 1972 1 8 . 1 1 21 21 THR H H 21 9.398 9.398 8.718 0.680 19546 1973 1 8 . 1 1 22 22 ILE N N 22 125.736 125.736 126.146 -0.410 19546 1974 1 8 . 1 1 22 22 ILE HA H 22 4.119 4.119 4.517 -0.398 19546 1975 1 8 . 1 1 22 22 ILE CA C 22 59.111 59.111 58.609 0.502 19546 1976 1 8 . 1 1 22 22 ILE CB C 22 33.929 33.929 38.402 -4.473 19546 1977 1 8 . 1 1 22 22 ILE H H 22 8.053 8.053 8.410 -0.357 19546 1978 1 8 . 1 1 23 23 LEU N N 23 129.499 129.499 129.147 0.352 19546 1979 1 8 . 1 1 23 23 LEU HA H 23 4.529 4.529 4.337 0.192 19546 1980 1 8 . 1 1 23 23 LEU CA C 23 55.574 55.574 56.155 -0.581 19546 1981 1 8 . 1 1 23 23 LEU CB C 23 41.923 41.923 42.024 -0.101 19546 1982 1 8 . 1 1 23 23 LEU H H 23 8.890 8.890 8.451 0.439 19546 1983 1 8 . 1 1 24 24 GLY N N 24 104.858 104.858 103.442 1.416 19546 1984 1 8 . 1 1 24 24 GLY CA C 24 46.001 46.001 45.312 0.688 19546 1985 1 8 . 1 1 24 24 GLY H H 24 7.565 7.565 7.687 -0.122 19546 1986 1 8 . 1 1 25 25 VAL N N 25 120.794 120.794 118.645 2.149 19546 1987 1 8 . 1 1 25 25 VAL HA H 25 4.670 4.670 4.544 0.126 19546 1988 1 8 . 1 1 25 25 VAL CA C 25 61.459 61.459 60.064 1.395 19546 1989 1 8 . 1 1 25 25 VAL CB C 25 35.692 35.692 35.491 0.201 19546 1990 1 8 . 1 1 25 25 VAL H H 25 8.477 8.477 8.254 0.223 19546 1991 1 8 . 1 1 26 26 SER N N 26 122.022 122.022 121.644 0.378 19546 1992 1 8 . 1 1 26 26 SER HA H 26 4.691 4.691 4.665 0.026 19546 1993 1 8 . 1 1 26 26 SER CA C 26 56.322 56.322 58.130 -1.808 19546 1994 1 8 . 1 1 26 26 SER CB C 26 63.731 63.731 64.128 -0.397 19546 1995 1 8 . 1 1 26 26 SER H H 26 8.619 8.619 8.759 -0.140 19546 1996 1 8 . 1 1 27 27 GLY N N 27 118.775 118.775 112.990 5.785 19546 1997 1 8 . 1 1 27 27 GLY CA C 27 47.626 47.626 45.521 2.105 19546 1998 1 8 . 1 1 27 27 GLY H H 27 8.969 8.969 8.205 0.764 19546 1999 1 8 . 1 1 28 28 GLN N N 28 124.390 124.390 124.533 -0.143 19546 2000 1 8 . 1 1 28 28 GLN HA H 28 4.324 4.324 4.247 0.077 19546 2001 1 8 . 1 1 28 28 GLN CA C 28 54.980 54.980 56.472 -1.492 19546 2002 1 8 . 1 1 28 28 GLN CB C 28 29.553 29.553 28.933 0.620 19546 2003 1 8 . 1 1 28 28 GLN H H 28 8.761 8.761 8.640 0.121 19546 2004 1 8 . 1 1 29 29 GLN N N 29 116.885 116.885 118.409 -1.524 19546 2005 1 8 . 1 1 29 29 GLN HA H 29 4.651 4.651 4.613 0.038 19546 2006 1 8 . 1 1 29 29 GLN CA C 29 55.364 55.364 55.112 0.252 19546 2007 1 8 . 1 1 29 29 GLN CB C 29 31.289 31.289 31.803 -0.514 19546 2008 1 8 . 1 1 29 29 GLN H H 29 8.307 8.307 7.505 0.802 19546 2009 1 8 . 1 1 30 30 VAL N N 30 123.399 123.399 119.877 3.522 19546 2010 1 8 . 1 1 30 30 VAL HA H 30 4.602 4.602 4.268 0.334 19546 2011 1 8 . 1 1 30 30 VAL CA C 30 60.710 60.710 61.271 -0.561 19546 2012 1 8 . 1 1 30 30 VAL CB C 30 34.560 34.560 35.003 -0.443 19546 2013 1 8 . 1 1 30 30 VAL H H 30 9.103 9.103 8.341 0.762 19546 2014 1 8 . 1 1 31 31 ARG N N 31 128.722 128.722 126.888 1.834 19546 2015 1 8 . 1 1 31 31 ARG HA H 31 4.659 4.659 4.818 -0.159 19546 2016 1 8 . 1 1 31 31 ARG CA C 31 55.755 55.755 54.223 1.532 19546 2017 1 8 . 1 1 31 31 ARG CB C 31 31.871 31.871 31.634 0.237 19546 2018 1 8 . 1 1 31 31 ARG H H 31 8.750 8.750 8.594 0.156 19546 2019 1 8 . 1 1 32 32 ILE N N 32 127.760 127.760 119.569 8.191 19546 2020 1 8 . 1 1 32 32 ILE HA H 32 4.652 4.652 5.089 -0.437 19546 2021 1 8 . 1 1 32 32 ILE CA C 32 59.738 59.738 58.610 1.128 19546 2022 1 8 . 1 1 32 32 ILE CB C 32 41.082 41.082 42.179 -1.097 19546 2023 1 8 . 1 1 32 32 ILE H H 32 9.069 9.069 8.521 0.548 19546 2024 1 8 . 1 1 33 33 GLY N N 33 112.098 112.098 109.785 2.313 19546 2025 1 8 . 1 1 33 33 GLY CA C 33 44.565 44.565 43.587 0.979 19546 2026 1 8 . 1 1 33 33 GLY H H 33 9.075 9.075 8.693 0.382 19546 2027 1 8 . 1 1 34 34 ILE N N 34 124.988 124.988 120.032 4.956 19546 2028 1 8 . 1 1 34 34 ILE HA H 34 4.863 4.863 4.485 0.378 19546 2029 1 8 . 1 1 34 34 ILE CA C 34 61.053 61.053 60.426 0.627 19546 2030 1 8 . 1 1 34 34 ILE CB C 34 41.339 41.339 41.890 -0.551 19546 2031 1 8 . 1 1 34 34 ILE H H 34 9.654 9.654 8.292 1.362 19546 2032 1 8 . 1 1 35 35 ASN N N 35 129.566 129.566 124.754 4.812 19546 2033 1 8 . 1 1 35 35 ASN HA H 35 5.102 5.102 4.896 0.206 19546 2034 1 8 . 1 1 35 35 ASN CA C 35 52.166 52.166 51.842 0.324 19546 2035 1 8 . 1 1 35 35 ASN CB C 35 40.191 40.191 40.008 0.183 19546 2036 1 8 . 1 1 35 35 ASN H H 35 9.013 9.013 8.880 0.133 19546 2037 1 8 . 1 1 36 36 ALA N N 36 125.469 125.469 123.382 2.087 19546 2038 1 8 . 1 1 36 36 ALA HA H 36 5.066 5.066 4.828 0.238 19546 2039 1 8 . 1 1 36 36 ALA CA C 36 49.445 49.445 49.708 -0.263 19546 2040 1 8 . 1 1 36 36 ALA CB C 36 19.884 19.884 19.035 0.850 19546 2041 1 8 . 1 1 36 36 ALA H H 36 8.205 8.205 7.932 0.273 19546 2042 1 8 . 1 1 37 37 PRO HA H 37 4.415 4.415 4.564 -0.149 19546 2043 1 8 . 1 1 37 37 PRO CA C 37 62.961 62.961 62.405 0.556 19546 2044 1 8 . 1 1 37 37 PRO CB C 37 32.374 32.374 32.695 -0.321 19546 2045 1 8 . 1 1 38 38 LYS N N 38 121.088 121.088 120.426 0.662 19546 2046 1 8 . 1 1 38 38 LYS HA H 38 3.794 3.794 4.119 -0.325 19546 2047 1 8 . 1 1 38 38 LYS CA C 38 58.747 58.747 58.089 0.658 19546 2048 1 8 . 1 1 38 38 LYS CB C 38 31.857 31.857 32.216 -0.359 19546 2049 1 8 . 1 1 38 38 LYS H H 38 8.581 8.581 8.637 -0.056 19546 2050 1 8 . 1 1 39 39 ASP N N 39 113.879 113.879 117.482 -3.603 19546 2051 1 8 . 1 1 39 39 ASP HA H 39 4.364 4.364 4.607 -0.243 19546 2052 1 8 . 1 1 39 39 ASP CA C 39 54.027 54.027 55.095 -1.068 19546 2053 1 8 . 1 1 39 39 ASP CB C 39 39.749 39.749 41.223 -1.474 19546 2054 1 8 . 1 1 39 39 ASP H H 39 8.164 8.164 8.010 0.154 19546 2055 1 8 . 1 1 40 40 VAL N N 40 122.755 122.755 115.964 6.791 19546 2056 1 8 . 1 1 40 40 VAL HA H 40 3.975 3.975 4.480 -0.505 19546 2057 1 8 . 1 1 40 40 VAL CA C 40 61.937 61.937 60.398 1.539 19546 2058 1 8 . 1 1 40 40 VAL CB C 40 31.941 31.941 34.353 -2.412 19546 2059 1 8 . 1 1 40 40 VAL H H 40 8.053 8.053 7.531 0.522 19546 2060 1 8 . 1 1 41 41 ALA N N 41 133.718 133.718 127.338 6.380 19546 2061 1 8 . 1 1 41 41 ALA HA H 41 4.445 4.445 4.394 0.051 19546 2062 1 8 . 1 1 41 41 ALA CA C 41 52.269 52.269 52.414 -0.145 19546 2063 1 8 . 1 1 41 41 ALA CB C 41 19.053 19.053 19.293 -0.239 19546 2064 1 8 . 1 1 41 41 ALA H H 41 8.927 8.927 8.319 0.608 19546 2065 1 8 . 1 1 42 42 VAL N N 42 125.374 125.374 124.309 1.065 19546 2066 1 8 . 1 1 42 42 VAL HA H 42 4.384 4.384 4.397 -0.013 19546 2067 1 8 . 1 1 42 42 VAL CA C 42 60.485 60.485 63.281 -2.796 19546 2068 1 8 . 1 1 42 42 VAL CB C 42 33.636 33.636 33.694 -0.058 19546 2069 1 8 . 1 1 42 42 VAL H H 42 7.899 7.899 8.613 -0.714 19546 2070 1 8 . 1 1 43 43 HIS N N 43 118.709 118.709 125.041 -6.332 19546 2071 1 8 . 1 1 43 43 HIS HA H 43 5.505 5.505 5.041 0.464 19546 2072 1 8 . 1 1 43 43 HIS CA C 43 53.758 53.758 55.235 -1.477 19546 2073 1 8 . 1 1 43 43 HIS CB C 43 37.671 37.671 32.261 5.410 19546 2074 1 8 . 1 1 43 43 HIS H H 43 8.580 8.580 8.156 0.424 19546 2075 1 8 . 1 1 44 44 ARG N N 44 121.721 121.721 121.402 0.319 19546 2076 1 8 . 1 1 44 44 ARG HA H 44 3.923 3.923 4.456 -0.533 19546 2077 1 8 . 1 1 44 44 ARG CA C 44 58.392 58.392 55.993 2.399 19546 2078 1 8 . 1 1 44 44 ARG H H 44 8.396 8.396 8.669 -0.273 19546 2079 1 8 . 1 1 45 45 GLU N N 45 126.002 126.002 121.716 4.286 19546 2080 1 8 . 1 1 45 45 GLU HA H 45 4.384 4.384 4.083 0.301 19546 2081 1 8 . 1 1 45 45 GLU CA C 45 59.792 59.792 59.723 0.069 19546 2082 1 8 . 1 1 45 45 GLU CB C 45 29.945 29.945 29.580 0.365 19546 2083 1 8 . 1 1 45 45 GLU H H 45 7.892 7.892 9.012 -1.120 19546 2084 1 8 . 1 1 46 46 GLU N N 46 118.201 118.201 116.893 1.308 19546 2085 1 8 . 1 1 46 46 GLU HA H 46 4.212 4.212 4.214 -0.002 19546 2086 1 8 . 1 1 46 46 GLU CA C 46 58.717 58.717 58.332 0.385 19546 2087 1 8 . 1 1 46 46 GLU CB C 46 27.031 27.031 28.773 -1.742 19546 2088 1 8 . 1 1 46 46 GLU H H 46 10.804 10.804 8.932 1.872 19546 2089 1 8 . 1 1 47 47 ILE N N 47 122.295 122.295 118.475 3.820 19546 2090 1 8 . 1 1 47 47 ILE HA H 47 3.526 3.526 4.164 -0.638 19546 2091 1 8 . 1 1 47 47 ILE CA C 47 60.756 60.756 62.539 -1.783 19546 2092 1 8 . 1 1 47 47 ILE CB C 47 34.770 34.770 40.398 -5.628 19546 2093 1 8 . 1 1 47 47 ILE H H 47 7.177 7.177 7.540 -0.363 19546 2094 1 8 . 1 1 48 48 TYR N N 48 122.359 122.359 122.133 0.226 19546 2095 1 8 . 1 1 48 48 TYR HA H 48 3.542 3.542 3.879 -0.337 19546 2096 1 8 . 1 1 48 48 TYR CA C 48 62.507 62.507 63.032 -0.525 19546 2097 1 8 . 1 1 48 48 TYR CB C 48 39.069 39.069 38.861 0.208 19546 2098 1 8 . 1 1 48 48 TYR H H 48 7.949 7.949 8.775 -0.826 19546 2099 1 8 . 1 1 49 49 GLN N N 49 115.099 115.099 115.374 -0.275 19546 2100 1 8 . 1 1 49 49 GLN HA H 49 3.821 3.821 4.072 -0.251 19546 2101 1 8 . 1 1 49 49 GLN CA C 49 58.633 58.633 57.705 0.928 19546 2102 1 8 . 1 1 49 49 GLN CB C 49 28.038 28.038 28.811 -0.772 19546 2103 1 8 . 1 1 49 49 GLN H H 49 8.597 8.597 7.880 0.717 19546 2104 1 8 . 1 1 50 50 ARG N N 50 120.635 120.635 117.512 3.123 19546 2105 1 8 . 1 1 50 50 ARG HA H 50 3.938 3.938 4.240 -0.302 19546 2106 1 8 . 1 1 50 50 ARG CA C 50 59.616 59.616 57.752 1.864 19546 2107 1 8 . 1 1 50 50 ARG CB C 50 30.462 30.462 30.690 -0.228 19546 2108 1 8 . 1 1 50 50 ARG H H 50 7.134 7.134 7.484 -0.350 19546 2109 1 8 . 1 1 51 51 ILE N N 51 120.637 120.637 120.422 0.215 19546 2110 1 8 . 1 1 51 51 ILE HA H 51 3.521 3.521 3.714 -0.193 19546 2111 1 8 . 1 1 51 51 ILE CA C 51 65.010 65.010 64.279 0.731 19546 2112 1 8 . 1 1 51 51 ILE CB C 51 37.878 37.878 38.129 -0.251 19546 2113 1 8 . 1 1 51 51 ILE H H 51 7.694 7.694 7.730 -0.036 19546 2114 1 8 . 1 1 52 52 GLN N N 52 118.700 118.700 116.599 2.101 19546 2115 1 8 . 1 1 52 52 GLN HA H 52 3.768 3.768 3.978 -0.210 19546 2116 1 8 . 1 1 52 52 GLN CA C 52 57.616 57.616 56.076 1.540 19546 2117 1 8 . 1 1 52 52 GLN CB C 52 28.095 28.095 27.375 0.720 19546 2118 1 8 . 1 1 52 52 GLN H H 52 7.910 7.910 7.638 0.272 19546 2119 1 8 . 1 1 53 53 ALA N N 53 120.010 120.010 120.726 -0.716 19546 2120 1 8 . 1 1 53 53 ALA HA H 53 4.185 4.185 4.182 0.003 19546 2121 1 8 . 1 1 53 53 ALA CA C 53 53.071 53.071 52.786 0.285 19546 2122 1 8 . 1 1 53 53 ALA CB C 53 18.546 18.546 19.318 -0.772 19546 2123 1 8 . 1 1 53 53 ALA H H 53 7.554 7.554 7.097 0.457 19546 2124 1 8 . 1 1 54 54 GLY N N 54 105.898 105.898 104.671 1.227 19546 2125 1 8 . 1 1 54 54 GLY CA C 54 45.605 45.605 44.821 0.784 19546 2126 1 8 . 1 1 54 54 GLY H H 54 7.692 7.692 7.779 -0.087 19546 2127 1 8 . 1 1 55 55 LEU N N 55 120.793 120.793 118.110 2.683 19546 2128 1 8 . 1 1 55 55 LEU HA H 55 4.352 4.352 5.104 -0.752 19546 2129 1 8 . 1 1 55 55 LEU CA C 55 54.964 54.964 53.550 1.414 19546 2130 1 8 . 1 1 55 55 LEU CB C 55 42.006 42.006 42.848 -0.842 19546 2131 1 8 . 1 1 55 55 LEU H H 55 7.669 7.669 7.757 -0.088 19546 2132 1 8 . 1 1 56 56 THR N N 56 114.129 114.129 109.534 4.595 19546 2133 1 8 . 1 1 56 56 THR HA H 56 4.278 4.278 4.469 -0.191 19546 2134 1 8 . 1 1 56 56 THR CA C 56 61.492 61.492 60.237 1.254 19546 2135 1 8 . 1 1 56 56 THR CB C 56 69.957 69.957 70.837 -0.880 19546 2136 1 8 . 1 1 56 56 THR H H 56 7.928 7.928 7.795 0.133 19546 2137 1 8 . 1 1 57 57 ALA N N 57 127.280 127.280 123.050 4.230 19546 2138 1 8 . 1 1 57 57 ALA HA H 57 4.178 4.178 4.357 -0.179 19546 2139 1 8 . 1 1 57 57 ALA CA C 57 50.568 50.568 51.386 -0.818 19546 2140 1 8 . 1 1 57 57 ALA CB C 57 17.738 17.738 18.255 -0.517 19546 2141 1 8 . 1 1 57 57 ALA H H 57 8.110 8.110 8.312 -0.202 19546 2142 1 8 . 1 1 58 58 PRO HA H 58 4.279 4.279 4.373 -0.094 19546 2143 1 8 . 1 1 58 58 PRO CA C 58 63.266 63.266 63.388 -0.122 19546 2144 1 8 . 1 1 58 58 PRO CB C 58 31.983 31.983 32.255 -0.272 19546 2145 1 9 . 1 1 2 2 LEU N N 2 124.364 124.364 125.947 -1.583 19546 2146 1 9 . 1 1 2 2 LEU HA H 2 4.547 4.547 4.636 -0.089 19546 2147 1 9 . 1 1 2 2 LEU CA C 2 54.353 54.353 54.560 -0.207 19546 2148 1 9 . 1 1 2 2 LEU CB C 2 42.514 42.514 42.659 -0.145 19546 2149 1 9 . 1 1 2 2 LEU H H 2 8.494 8.494 8.356 0.138 19546 2150 1 9 . 1 1 3 3 ILE N N 3 130.774 130.774 123.281 7.493 19546 2151 1 9 . 1 1 3 3 ILE HA H 3 5.071 5.071 4.426 0.645 19546 2152 1 9 . 1 1 3 3 ILE CA C 3 60.083 60.083 61.069 -0.986 19546 2153 1 9 . 1 1 3 3 ILE CB C 3 37.710 37.710 39.779 -2.069 19546 2154 1 9 . 1 1 3 3 ILE H H 3 10.676 10.676 8.327 2.349 19546 2155 1 9 . 1 1 4 4 LEU N N 4 122.204 122.204 126.680 -4.476 19546 2156 1 9 . 1 1 4 4 LEU HA H 4 4.535 4.535 4.705 -0.170 19546 2157 1 9 . 1 1 4 4 LEU CA C 4 52.555 52.555 53.686 -1.131 19546 2158 1 9 . 1 1 4 4 LEU CB C 4 47.177 47.177 44.852 2.325 19546 2159 1 9 . 1 1 4 4 LEU H H 4 8.587 8.587 8.211 0.376 19546 2160 1 9 . 1 1 5 5 THR N N 5 119.940 119.940 116.672 3.268 19546 2161 1 9 . 1 1 5 5 THR HA H 5 5.476 5.476 4.683 0.793 19546 2162 1 9 . 1 1 5 5 THR CA C 5 61.923 61.923 61.604 0.319 19546 2163 1 9 . 1 1 5 5 THR CB C 5 68.963 68.963 69.755 -0.793 19546 2164 1 9 . 1 1 5 5 THR H H 5 9.161 9.161 8.274 0.887 19546 2165 1 9 . 1 1 6 6 ARG N N 6 126.862 126.862 122.553 4.309 19546 2166 1 9 . 1 1 6 6 ARG HA H 6 5.023 5.023 4.862 0.161 19546 2167 1 9 . 1 1 6 6 ARG CA C 6 55.325 55.325 54.717 0.608 19546 2168 1 9 . 1 1 6 6 ARG CB C 6 38.076 38.076 33.548 4.528 19546 2169 1 9 . 1 1 6 6 ARG H H 6 9.619 9.619 8.438 1.181 19546 2170 1 9 . 1 1 7 7 LYS N N 7 123.703 123.703 120.529 3.174 19546 2171 1 9 . 1 1 7 7 LYS HA H 7 5.069 5.069 4.582 0.487 19546 2172 1 9 . 1 1 7 7 LYS CA C 7 54.427 54.427 55.060 -0.633 19546 2173 1 9 . 1 1 7 7 LYS CB C 7 34.217 34.217 35.313 -1.096 19546 2174 1 9 . 1 1 7 7 LYS H H 7 9.450 9.450 8.568 0.882 19546 2175 1 9 . 1 1 8 8 VAL N N 8 118.617 118.617 121.413 -2.796 19546 2176 1 9 . 1 1 8 8 VAL HA H 8 3.315 3.315 3.714 -0.399 19546 2177 1 9 . 1 1 8 8 VAL CA C 8 66.050 66.050 64.105 1.945 19546 2178 1 9 . 1 1 8 8 VAL CB C 8 31.491 31.491 30.226 1.265 19546 2179 1 9 . 1 1 8 8 VAL H H 8 7.741 7.741 8.494 -0.753 19546 2180 1 9 . 1 1 9 9 GLY N N 9 116.069 116.069 116.506 -0.437 19546 2181 1 9 . 1 1 9 9 GLY CA C 9 44.524 44.524 44.775 -0.251 19546 2182 1 9 . 1 1 9 9 GLY H H 9 9.269 9.269 8.852 0.417 19546 2183 1 9 . 1 1 10 10 GLU N N 10 119.364 119.364 119.424 -0.060 19546 2184 1 9 . 1 1 10 10 GLU HA H 10 4.891 4.891 4.829 0.062 19546 2185 1 9 . 1 1 10 10 GLU CA C 10 55.788 55.788 54.256 1.532 19546 2186 1 9 . 1 1 10 10 GLU CB C 10 32.873 32.873 32.891 -0.018 19546 2187 1 9 . 1 1 10 10 GLU H H 10 8.426 8.426 7.994 0.432 19546 2188 1 9 . 1 1 11 11 SER N N 11 112.510 112.510 113.649 -1.139 19546 2189 1 9 . 1 1 11 11 SER HA H 11 5.882 5.882 5.360 0.522 19546 2190 1 9 . 1 1 11 11 SER CA C 11 57.997 57.997 57.088 0.909 19546 2191 1 9 . 1 1 11 11 SER CB C 11 66.884 66.884 66.387 0.497 19546 2192 1 9 . 1 1 11 11 SER H H 11 8.672 8.672 8.382 0.290 19546 2193 1 9 . 1 1 12 12 ILE N N 12 124.592 124.592 120.142 4.450 19546 2194 1 9 . 1 1 12 12 ILE HA H 12 4.365 4.365 4.519 -0.154 19546 2195 1 9 . 1 1 12 12 ILE CA C 12 59.814 59.814 59.194 0.620 19546 2196 1 9 . 1 1 12 12 ILE CB C 12 42.616 42.616 42.438 0.178 19546 2197 1 9 . 1 1 12 12 ILE H H 12 9.265 9.265 8.907 0.358 19546 2198 1 9 . 1 1 13 13 ASN N N 13 126.127 126.127 121.088 5.039 19546 2199 1 9 . 1 1 13 13 ASN HA H 13 4.947 4.947 5.172 -0.225 19546 2200 1 9 . 1 1 13 13 ASN CA C 13 53.571 53.571 52.476 1.095 19546 2201 1 9 . 1 1 13 13 ASN CB C 13 41.491 41.491 41.861 -0.370 19546 2202 1 9 . 1 1 13 13 ASN H H 13 9.318 9.318 8.488 0.830 19546 2203 1 9 . 1 1 14 14 ILE N N 14 123.984 123.984 121.394 2.590 19546 2204 1 9 . 1 1 14 14 ILE HA H 14 4.475 4.475 4.476 -0.001 19546 2205 1 9 . 1 1 14 14 ILE CA C 14 60.582 60.582 60.309 0.273 19546 2206 1 9 . 1 1 14 14 ILE CB C 14 38.573 38.573 40.984 -2.411 19546 2207 1 9 . 1 1 14 14 ILE H H 14 8.392 8.392 8.670 -0.278 19546 2208 1 9 . 1 1 15 15 GLY N N 15 115.533 115.533 114.054 1.479 19546 2209 1 9 . 1 1 15 15 GLY CA C 15 45.893 45.893 46.140 -0.247 19546 2210 1 9 . 1 1 15 15 GLY H H 15 9.148 9.148 8.581 0.567 19546 2211 1 9 . 1 1 16 16 ASP N N 16 121.039 121.039 122.804 -1.765 19546 2212 1 9 . 1 1 16 16 ASP HA H 16 4.969 4.969 4.724 0.245 19546 2213 1 9 . 1 1 16 16 ASP CA C 16 55.256 55.256 54.259 0.997 19546 2214 1 9 . 1 1 16 16 ASP CB C 16 42.342 42.342 41.542 0.800 19546 2215 1 9 . 1 1 16 16 ASP H H 16 8.809 8.809 8.376 0.433 19546 2216 1 9 . 1 1 17 17 ASP N N 17 115.538 115.538 119.905 -4.367 19546 2217 1 9 . 1 1 17 17 ASP HA H 17 4.749 4.749 4.863 -0.114 19546 2218 1 9 . 1 1 17 17 ASP CA C 17 54.134 54.134 54.187 -0.053 19546 2219 1 9 . 1 1 17 17 ASP CB C 17 42.578 42.578 43.583 -1.005 19546 2220 1 9 . 1 1 17 17 ASP H H 17 8.140 8.140 8.054 0.086 19546 2221 1 9 . 1 1 18 18 ILE N N 18 118.702 118.702 119.725 -1.023 19546 2222 1 9 . 1 1 18 18 ILE HA H 18 5.239 5.239 4.914 0.325 19546 2223 1 9 . 1 1 18 18 ILE CA C 18 60.037 60.037 60.356 -0.319 19546 2224 1 9 . 1 1 18 18 ILE CB C 18 39.755 39.755 42.042 -2.287 19546 2225 1 9 . 1 1 18 18 ILE H H 18 7.183 7.183 7.694 -0.511 19546 2226 1 9 . 1 1 19 19 THR N N 19 122.806 122.806 121.684 1.122 19546 2227 1 9 . 1 1 19 19 THR HA H 19 5.110 5.110 5.031 0.079 19546 2228 1 9 . 1 1 19 19 THR CA C 19 60.845 60.845 61.449 -0.604 19546 2229 1 9 . 1 1 19 19 THR CB C 19 71.703 71.703 72.066 -0.363 19546 2230 1 9 . 1 1 19 19 THR H H 19 8.993 8.993 8.313 0.680 19546 2231 1 9 . 1 1 20 20 ILE N N 20 123.302 123.302 121.578 1.724 19546 2232 1 9 . 1 1 20 20 ILE HA H 20 4.891 4.891 4.949 -0.058 19546 2233 1 9 . 1 1 20 20 ILE CA C 20 58.946 58.946 59.017 -0.071 19546 2234 1 9 . 1 1 20 20 ILE CB C 20 40.382 40.382 41.784 -1.402 19546 2235 1 9 . 1 1 20 20 ILE H H 20 8.918 8.918 9.102 -0.184 19546 2236 1 9 . 1 1 21 21 THR N N 21 123.751 123.751 119.007 4.744 19546 2237 1 9 . 1 1 21 21 THR HA H 21 4.837 4.837 5.041 -0.204 19546 2238 1 9 . 1 1 21 21 THR CA C 21 61.523 61.523 61.432 0.091 19546 2239 1 9 . 1 1 21 21 THR CB C 21 71.939 71.939 72.595 -0.656 19546 2240 1 9 . 1 1 21 21 THR H H 21 9.398 9.398 8.839 0.559 19546 2241 1 9 . 1 1 22 22 ILE N N 22 125.736 125.736 126.182 -0.446 19546 2242 1 9 . 1 1 22 22 ILE HA H 22 4.119 4.119 4.511 -0.392 19546 2243 1 9 . 1 1 22 22 ILE CA C 22 59.111 59.111 58.666 0.445 19546 2244 1 9 . 1 1 22 22 ILE CB C 22 33.929 33.929 38.439 -4.510 19546 2245 1 9 . 1 1 22 22 ILE H H 22 8.053 8.053 8.439 -0.386 19546 2246 1 9 . 1 1 23 23 LEU N N 23 129.499 129.499 129.206 0.293 19546 2247 1 9 . 1 1 23 23 LEU HA H 23 4.529 4.529 4.412 0.117 19546 2248 1 9 . 1 1 23 23 LEU CA C 23 55.574 55.574 55.882 -0.308 19546 2249 1 9 . 1 1 23 23 LEU CB C 23 41.923 41.923 42.074 -0.151 19546 2250 1 9 . 1 1 23 23 LEU H H 23 8.890 8.890 8.425 0.465 19546 2251 1 9 . 1 1 24 24 GLY N N 24 104.858 104.858 104.103 0.755 19546 2252 1 9 . 1 1 24 24 GLY CA C 24 46.001 46.001 45.181 0.820 19546 2253 1 9 . 1 1 24 24 GLY H H 24 7.565 7.565 7.669 -0.104 19546 2254 1 9 . 1 1 25 25 VAL N N 25 120.794 120.794 115.656 5.138 19546 2255 1 9 . 1 1 25 25 VAL HA H 25 4.670 4.670 4.688 -0.018 19546 2256 1 9 . 1 1 25 25 VAL CA C 25 61.459 61.459 59.275 2.184 19546 2257 1 9 . 1 1 25 25 VAL CB C 25 35.692 35.692 35.583 0.109 19546 2258 1 9 . 1 1 25 25 VAL H H 25 8.477 8.477 8.275 0.202 19546 2259 1 9 . 1 1 26 26 SER N N 26 122.022 122.022 117.749 4.273 19546 2260 1 9 . 1 1 26 26 SER HA H 26 4.691 4.691 4.639 0.052 19546 2261 1 9 . 1 1 26 26 SER CA C 26 56.322 56.322 58.024 -1.702 19546 2262 1 9 . 1 1 26 26 SER CB C 26 63.731 63.731 63.571 0.160 19546 2263 1 9 . 1 1 26 26 SER H H 26 8.619 8.619 8.747 -0.128 19546 2264 1 9 . 1 1 27 27 GLY N N 27 118.775 118.775 112.263 6.512 19546 2265 1 9 . 1 1 27 27 GLY CA C 27 47.626 47.626 45.677 1.949 19546 2266 1 9 . 1 1 27 27 GLY H H 27 8.969 8.969 8.165 0.804 19546 2267 1 9 . 1 1 28 28 GLN N N 28 124.390 124.390 124.742 -0.352 19546 2268 1 9 . 1 1 28 28 GLN HA H 28 4.324 4.324 4.245 0.079 19546 2269 1 9 . 1 1 28 28 GLN CA C 28 54.980 54.980 56.497 -1.517 19546 2270 1 9 . 1 1 28 28 GLN CB C 28 29.553 29.553 28.913 0.640 19546 2271 1 9 . 1 1 28 28 GLN H H 28 8.761 8.761 8.649 0.112 19546 2272 1 9 . 1 1 29 29 GLN N N 29 116.885 116.885 118.323 -1.438 19546 2273 1 9 . 1 1 29 29 GLN HA H 29 4.651 4.651 4.569 0.082 19546 2274 1 9 . 1 1 29 29 GLN CA C 29 55.364 55.364 55.074 0.290 19546 2275 1 9 . 1 1 29 29 GLN CB C 29 31.289 31.289 31.455 -0.166 19546 2276 1 9 . 1 1 29 29 GLN H H 29 8.307 8.307 7.483 0.824 19546 2277 1 9 . 1 1 30 30 VAL N N 30 123.399 123.399 119.352 4.047 19546 2278 1 9 . 1 1 30 30 VAL HA H 30 4.602 4.602 4.251 0.351 19546 2279 1 9 . 1 1 30 30 VAL CA C 30 60.710 60.710 61.693 -0.983 19546 2280 1 9 . 1 1 30 30 VAL CB C 30 34.560 34.560 35.247 -0.687 19546 2281 1 9 . 1 1 30 30 VAL H H 30 9.103 9.103 8.378 0.725 19546 2282 1 9 . 1 1 31 31 ARG N N 31 128.722 128.722 126.605 2.117 19546 2283 1 9 . 1 1 31 31 ARG HA H 31 4.659 4.659 4.857 -0.198 19546 2284 1 9 . 1 1 31 31 ARG CA C 31 55.755 55.755 54.417 1.338 19546 2285 1 9 . 1 1 31 31 ARG CB C 31 31.871 31.871 31.626 0.245 19546 2286 1 9 . 1 1 31 31 ARG H H 31 8.750 8.750 8.510 0.240 19546 2287 1 9 . 1 1 32 32 ILE N N 32 127.760 127.760 119.265 8.495 19546 2288 1 9 . 1 1 32 32 ILE HA H 32 4.652 4.652 5.100 -0.448 19546 2289 1 9 . 1 1 32 32 ILE CA C 32 59.738 59.738 58.798 0.940 19546 2290 1 9 . 1 1 32 32 ILE CB C 32 41.082 41.082 42.221 -1.139 19546 2291 1 9 . 1 1 32 32 ILE H H 32 9.069 9.069 8.517 0.552 19546 2292 1 9 . 1 1 33 33 GLY N N 33 112.098 112.098 109.218 2.880 19546 2293 1 9 . 1 1 33 33 GLY CA C 33 44.565 44.565 43.825 0.740 19546 2294 1 9 . 1 1 33 33 GLY H H 33 9.075 9.075 8.610 0.465 19546 2295 1 9 . 1 1 34 34 ILE N N 34 124.988 124.988 118.851 6.137 19546 2296 1 9 . 1 1 34 34 ILE HA H 34 4.863 4.863 4.620 0.243 19546 2297 1 9 . 1 1 34 34 ILE CA C 34 61.053 61.053 60.732 0.321 19546 2298 1 9 . 1 1 34 34 ILE CB C 34 41.339 41.339 41.970 -0.631 19546 2299 1 9 . 1 1 34 34 ILE H H 34 9.654 9.654 8.244 1.410 19546 2300 1 9 . 1 1 35 35 ASN N N 35 129.566 129.566 124.897 4.669 19546 2301 1 9 . 1 1 35 35 ASN HA H 35 5.102 5.102 4.976 0.126 19546 2302 1 9 . 1 1 35 35 ASN CA C 35 52.166 52.166 52.669 -0.503 19546 2303 1 9 . 1 1 35 35 ASN CB C 35 40.191 40.191 38.978 1.213 19546 2304 1 9 . 1 1 35 35 ASN H H 35 9.013 9.013 9.071 -0.058 19546 2305 1 9 . 1 1 36 36 ALA N N 36 125.469 125.469 123.737 1.732 19546 2306 1 9 . 1 1 36 36 ALA HA H 36 5.066 5.066 5.155 -0.089 19546 2307 1 9 . 1 1 36 36 ALA CA C 36 49.445 49.445 48.947 0.498 19546 2308 1 9 . 1 1 36 36 ALA CB C 36 19.884 19.884 20.678 -0.794 19546 2309 1 9 . 1 1 36 36 ALA H H 36 8.205 8.205 7.832 0.373 19546 2310 1 9 . 1 1 37 37 PRO HA H 37 4.415 4.415 4.559 -0.144 19546 2311 1 9 . 1 1 37 37 PRO CA C 37 62.961 62.961 62.335 0.626 19546 2312 1 9 . 1 1 37 37 PRO CB C 37 32.374 32.374 32.798 -0.424 19546 2313 1 9 . 1 1 38 38 LYS N N 38 121.088 121.088 120.292 0.796 19546 2314 1 9 . 1 1 38 38 LYS HA H 38 3.794 3.794 4.259 -0.465 19546 2315 1 9 . 1 1 38 38 LYS CA C 38 58.747 58.747 57.790 0.957 19546 2316 1 9 . 1 1 38 38 LYS CB C 38 31.857 31.857 32.075 -0.218 19546 2317 1 9 . 1 1 38 38 LYS H H 38 8.581 8.581 8.570 0.011 19546 2318 1 9 . 1 1 39 39 ASP N N 39 113.879 113.879 118.635 -4.756 19546 2319 1 9 . 1 1 39 39 ASP HA H 39 4.364 4.364 4.561 -0.197 19546 2320 1 9 . 1 1 39 39 ASP CA C 39 54.027 54.027 55.738 -1.711 19546 2321 1 9 . 1 1 39 39 ASP CB C 39 39.749 39.749 41.018 -1.269 19546 2322 1 9 . 1 1 39 39 ASP H H 39 8.164 8.164 8.234 -0.070 19546 2323 1 9 . 1 1 40 40 VAL N N 40 122.755 122.755 115.088 7.667 19546 2324 1 9 . 1 1 40 40 VAL HA H 40 3.975 3.975 4.439 -0.464 19546 2325 1 9 . 1 1 40 40 VAL CA C 40 61.937 61.937 59.959 1.978 19546 2326 1 9 . 1 1 40 40 VAL CB C 40 31.941 31.941 35.138 -3.196 19546 2327 1 9 . 1 1 40 40 VAL H H 40 8.053 8.053 7.598 0.455 19546 2328 1 9 . 1 1 41 41 ALA N N 41 133.718 133.718 127.510 6.208 19546 2329 1 9 . 1 1 41 41 ALA HA H 41 4.445 4.445 4.595 -0.150 19546 2330 1 9 . 1 1 41 41 ALA CA C 41 52.269 52.269 51.886 0.383 19546 2331 1 9 . 1 1 41 41 ALA CB C 41 19.053 19.053 19.523 -0.470 19546 2332 1 9 . 1 1 41 41 ALA H H 41 8.927 8.927 8.298 0.629 19546 2333 1 9 . 1 1 42 42 VAL N N 42 125.374 125.374 121.171 4.203 19546 2334 1 9 . 1 1 42 42 VAL HA H 42 4.384 4.384 4.337 0.047 19546 2335 1 9 . 1 1 42 42 VAL CA C 42 60.485 60.485 61.654 -1.169 19546 2336 1 9 . 1 1 42 42 VAL CB C 42 33.636 33.636 33.209 0.427 19546 2337 1 9 . 1 1 42 42 VAL H H 42 7.899 7.899 8.059 -0.160 19546 2338 1 9 . 1 1 43 43 HIS N N 43 118.709 118.709 124.933 -6.224 19546 2339 1 9 . 1 1 43 43 HIS HA H 43 5.505 5.505 5.049 0.456 19546 2340 1 9 . 1 1 43 43 HIS CA C 43 53.758 53.758 55.308 -1.550 19546 2341 1 9 . 1 1 43 43 HIS CB C 43 37.671 37.671 31.878 5.793 19546 2342 1 9 . 1 1 43 43 HIS H H 43 8.580 8.580 8.299 0.281 19546 2343 1 9 . 1 1 44 44 ARG N N 44 121.721 121.721 121.050 0.671 19546 2344 1 9 . 1 1 44 44 ARG HA H 44 3.923 3.923 4.432 -0.509 19546 2345 1 9 . 1 1 44 44 ARG CA C 44 58.392 58.392 56.054 2.338 19546 2346 1 9 . 1 1 44 44 ARG H H 44 8.396 8.396 8.626 -0.230 19546 2347 1 9 . 1 1 45 45 GLU N N 45 126.002 126.002 120.922 5.080 19546 2348 1 9 . 1 1 45 45 GLU HA H 45 4.384 4.384 4.200 0.184 19546 2349 1 9 . 1 1 45 45 GLU CA C 45 59.792 59.792 58.785 1.007 19546 2350 1 9 . 1 1 45 45 GLU CB C 45 29.945 29.945 29.103 0.842 19546 2351 1 9 . 1 1 45 45 GLU H H 45 7.892 7.892 9.044 -1.152 19546 2352 1 9 . 1 1 46 46 GLU N N 46 118.201 118.201 117.639 0.562 19546 2353 1 9 . 1 1 46 46 GLU HA H 46 4.212 4.212 4.205 0.007 19546 2354 1 9 . 1 1 46 46 GLU CA C 46 58.717 58.717 58.559 0.158 19546 2355 1 9 . 1 1 46 46 GLU CB C 46 27.031 27.031 29.239 -2.208 19546 2356 1 9 . 1 1 46 46 GLU H H 46 10.804 10.804 8.805 1.999 19546 2357 1 9 . 1 1 47 47 ILE N N 47 122.295 122.295 116.590 5.705 19546 2358 1 9 . 1 1 47 47 ILE HA H 47 3.526 3.526 4.232 -0.706 19546 2359 1 9 . 1 1 47 47 ILE CA C 47 60.756 60.756 61.692 -0.936 19546 2360 1 9 . 1 1 47 47 ILE CB C 47 34.770 34.770 40.160 -5.390 19546 2361 1 9 . 1 1 47 47 ILE H H 47 7.177 7.177 7.338 -0.161 19546 2362 1 9 . 1 1 48 48 TYR N N 48 122.359 122.359 122.176 0.183 19546 2363 1 9 . 1 1 48 48 TYR HA H 48 3.542 3.542 3.906 -0.364 19546 2364 1 9 . 1 1 48 48 TYR CA C 48 62.507 62.507 62.365 0.141 19546 2365 1 9 . 1 1 48 48 TYR CB C 48 39.069 39.069 38.349 0.720 19546 2366 1 9 . 1 1 48 48 TYR H H 48 7.949 7.949 8.481 -0.532 19546 2367 1 9 . 1 1 49 49 GLN N N 49 115.099 115.099 115.061 0.038 19546 2368 1 9 . 1 1 49 49 GLN HA H 49 3.821 3.821 3.776 0.045 19546 2369 1 9 . 1 1 49 49 GLN CA C 49 58.633 58.633 57.659 0.974 19546 2370 1 9 . 1 1 49 49 GLN CB C 49 28.038 28.038 28.710 -0.672 19546 2371 1 9 . 1 1 49 49 GLN H H 49 8.597 8.597 8.094 0.503 19546 2372 1 9 . 1 1 50 50 ARG N N 50 120.635 120.635 116.945 3.690 19546 2373 1 9 . 1 1 50 50 ARG HA H 50 3.938 3.938 4.224 -0.286 19546 2374 1 9 . 1 1 50 50 ARG CA C 50 59.616 59.616 57.514 2.102 19546 2375 1 9 . 1 1 50 50 ARG CB C 50 30.462 30.462 30.734 -0.272 19546 2376 1 9 . 1 1 50 50 ARG H H 50 7.134 7.134 7.304 -0.170 19546 2377 1 9 . 1 1 51 51 ILE N N 51 120.637 120.637 120.998 -0.361 19546 2378 1 9 . 1 1 51 51 ILE HA H 51 3.521 3.521 3.691 -0.170 19546 2379 1 9 . 1 1 51 51 ILE CA C 51 65.010 65.010 64.584 0.426 19546 2380 1 9 . 1 1 51 51 ILE CB C 51 37.878 37.878 38.239 -0.361 19546 2381 1 9 . 1 1 51 51 ILE H H 51 7.694 7.694 7.867 -0.173 19546 2382 1 9 . 1 1 52 52 GLN N N 52 118.700 118.700 117.102 1.598 19546 2383 1 9 . 1 1 52 52 GLN HA H 52 3.768 3.768 4.078 -0.310 19546 2384 1 9 . 1 1 52 52 GLN CA C 52 57.616 57.616 56.107 1.509 19546 2385 1 9 . 1 1 52 52 GLN CB C 52 28.095 28.095 27.494 0.601 19546 2386 1 9 . 1 1 52 52 GLN H H 52 7.910 7.910 7.477 0.433 19546 2387 1 9 . 1 1 53 53 ALA N N 53 120.010 120.010 121.169 -1.159 19546 2388 1 9 . 1 1 53 53 ALA HA H 53 4.185 4.185 4.136 0.049 19546 2389 1 9 . 1 1 53 53 ALA CA C 53 53.071 53.071 53.129 -0.058 19546 2390 1 9 . 1 1 53 53 ALA CB C 53 18.546 18.546 19.136 -0.590 19546 2391 1 9 . 1 1 53 53 ALA H H 53 7.554 7.554 7.793 -0.239 19546 2392 1 9 . 1 1 54 54 GLY N N 54 105.898 105.898 104.351 1.547 19546 2393 1 9 . 1 1 54 54 GLY CA C 54 45.605 45.605 44.869 0.736 19546 2394 1 9 . 1 1 54 54 GLY H H 54 7.692 7.692 7.786 -0.094 19546 2395 1 9 . 1 1 55 55 LEU N N 55 120.793 120.793 117.722 3.071 19546 2396 1 9 . 1 1 55 55 LEU HA H 55 4.352 4.352 5.127 -0.775 19546 2397 1 9 . 1 1 55 55 LEU CA C 55 54.964 54.964 53.393 1.571 19546 2398 1 9 . 1 1 55 55 LEU CB C 55 42.006 42.006 42.738 -0.732 19546 2399 1 9 . 1 1 55 55 LEU H H 55 7.669 7.669 7.835 -0.166 19546 2400 1 9 . 1 1 56 56 THR N N 56 114.129 114.129 109.896 4.233 19546 2401 1 9 . 1 1 56 56 THR HA H 56 4.278 4.278 4.505 -0.227 19546 2402 1 9 . 1 1 56 56 THR CA C 56 61.492 61.492 60.231 1.261 19546 2403 1 9 . 1 1 56 56 THR CB C 56 69.957 69.957 70.808 -0.851 19546 2404 1 9 . 1 1 56 56 THR H H 56 7.928 7.928 7.891 0.037 19546 2405 1 9 . 1 1 57 57 ALA N N 57 127.280 127.280 124.160 3.120 19546 2406 1 9 . 1 1 57 57 ALA HA H 57 4.178 4.178 4.394 -0.216 19546 2407 1 9 . 1 1 57 57 ALA CA C 57 50.568 50.568 51.681 -1.113 19546 2408 1 9 . 1 1 57 57 ALA CB C 57 17.738 17.738 18.160 -0.422 19546 2409 1 9 . 1 1 57 57 ALA H H 57 8.110 8.110 8.213 -0.103 19546 2410 1 9 . 1 1 58 58 PRO HA H 58 4.279 4.279 4.544 -0.265 19546 2411 1 9 . 1 1 58 58 PRO CA C 58 63.266 63.266 62.560 0.706 19546 2412 1 9 . 1 1 58 58 PRO CB C 58 31.983 31.983 32.565 -0.582 19546 2413 1 10 . 1 1 2 2 LEU N N 2 124.364 124.364 126.094 -1.730 19546 2414 1 10 . 1 1 2 2 LEU HA H 2 4.547 4.547 4.800 -0.253 19546 2415 1 10 . 1 1 2 2 LEU CA C 2 54.353 54.353 54.400 -0.047 19546 2416 1 10 . 1 1 2 2 LEU CB C 2 42.514 42.514 42.508 0.006 19546 2417 1 10 . 1 1 2 2 LEU H H 2 8.494 8.494 8.442 0.052 19546 2418 1 10 . 1 1 3 3 ILE N N 3 130.774 130.774 124.642 6.132 19546 2419 1 10 . 1 1 3 3 ILE HA H 3 5.071 5.071 4.361 0.710 19546 2420 1 10 . 1 1 3 3 ILE CA C 3 60.083 60.083 60.836 -0.753 19546 2421 1 10 . 1 1 3 3 ILE CB C 3 37.710 37.710 39.251 -1.541 19546 2422 1 10 . 1 1 3 3 ILE H H 3 10.676 10.676 8.404 2.272 19546 2423 1 10 . 1 1 4 4 LEU N N 4 122.204 122.204 125.545 -3.341 19546 2424 1 10 . 1 1 4 4 LEU HA H 4 4.535 4.535 4.704 -0.169 19546 2425 1 10 . 1 1 4 4 LEU CA C 4 52.555 52.555 53.704 -1.149 19546 2426 1 10 . 1 1 4 4 LEU CB C 4 47.177 47.177 44.900 2.277 19546 2427 1 10 . 1 1 4 4 LEU H H 4 8.587 8.587 8.284 0.303 19546 2428 1 10 . 1 1 5 5 THR N N 5 119.940 119.940 116.893 3.047 19546 2429 1 10 . 1 1 5 5 THR HA H 5 5.476 5.476 4.715 0.761 19546 2430 1 10 . 1 1 5 5 THR CA C 5 61.923 61.923 61.538 0.385 19546 2431 1 10 . 1 1 5 5 THR CB C 5 68.963 68.963 69.595 -0.632 19546 2432 1 10 . 1 1 5 5 THR H H 5 9.161 9.161 8.230 0.931 19546 2433 1 10 . 1 1 6 6 ARG N N 6 126.862 126.862 122.205 4.657 19546 2434 1 10 . 1 1 6 6 ARG HA H 6 5.023 5.023 4.871 0.152 19546 2435 1 10 . 1 1 6 6 ARG CA C 6 55.325 55.325 54.740 0.585 19546 2436 1 10 . 1 1 6 6 ARG CB C 6 38.076 38.076 33.625 4.451 19546 2437 1 10 . 1 1 6 6 ARG H H 6 9.619 9.619 8.392 1.227 19546 2438 1 10 . 1 1 7 7 LYS N N 7 123.703 123.703 120.457 3.246 19546 2439 1 10 . 1 1 7 7 LYS HA H 7 5.069 5.069 4.649 0.420 19546 2440 1 10 . 1 1 7 7 LYS CA C 7 54.427 54.427 55.103 -0.676 19546 2441 1 10 . 1 1 7 7 LYS CB C 7 34.217 34.217 35.396 -1.179 19546 2442 1 10 . 1 1 7 7 LYS H H 7 9.450 9.450 8.577 0.873 19546 2443 1 10 . 1 1 8 8 VAL N N 8 118.617 118.617 119.194 -0.577 19546 2444 1 10 . 1 1 8 8 VAL HA H 8 3.315 3.315 3.938 -0.623 19546 2445 1 10 . 1 1 8 8 VAL CA C 8 66.050 66.050 63.122 2.928 19546 2446 1 10 . 1 1 8 8 VAL CB C 8 31.491 31.491 30.738 0.753 19546 2447 1 10 . 1 1 8 8 VAL H H 8 7.741 7.741 8.401 -0.660 19546 2448 1 10 . 1 1 9 9 GLY N N 9 116.069 116.069 115.201 0.868 19546 2449 1 10 . 1 1 9 9 GLY CA C 9 44.524 44.524 44.861 -0.337 19546 2450 1 10 . 1 1 9 9 GLY H H 9 9.269 9.269 8.911 0.358 19546 2451 1 10 . 1 1 10 10 GLU N N 10 119.364 119.364 119.001 0.363 19546 2452 1 10 . 1 1 10 10 GLU HA H 10 4.891 4.891 4.881 0.010 19546 2453 1 10 . 1 1 10 10 GLU CA C 10 55.788 55.788 54.661 1.127 19546 2454 1 10 . 1 1 10 10 GLU CB C 10 32.873 32.873 32.502 0.371 19546 2455 1 10 . 1 1 10 10 GLU H H 10 8.426 8.426 7.912 0.514 19546 2456 1 10 . 1 1 11 11 SER N N 11 112.510 112.510 113.688 -1.178 19546 2457 1 10 . 1 1 11 11 SER HA H 11 5.882 5.882 5.028 0.854 19546 2458 1 10 . 1 1 11 11 SER CA C 11 57.997 57.997 57.287 0.710 19546 2459 1 10 . 1 1 11 11 SER CB C 11 66.884 66.884 66.204 0.680 19546 2460 1 10 . 1 1 11 11 SER H H 11 8.672 8.672 8.429 0.243 19546 2461 1 10 . 1 1 12 12 ILE N N 12 124.592 124.592 118.471 6.121 19546 2462 1 10 . 1 1 12 12 ILE HA H 12 4.365 4.365 4.582 -0.217 19546 2463 1 10 . 1 1 12 12 ILE CA C 12 59.814 59.814 59.281 0.533 19546 2464 1 10 . 1 1 12 12 ILE CB C 12 42.616 42.616 42.480 0.136 19546 2465 1 10 . 1 1 12 12 ILE H H 12 9.265 9.265 8.896 0.369 19546 2466 1 10 . 1 1 13 13 ASN N N 13 126.127 126.127 120.971 5.156 19546 2467 1 10 . 1 1 13 13 ASN HA H 13 4.947 4.947 5.228 -0.281 19546 2468 1 10 . 1 1 13 13 ASN CA C 13 53.571 53.571 52.149 1.422 19546 2469 1 10 . 1 1 13 13 ASN CB C 13 41.491 41.491 41.585 -0.094 19546 2470 1 10 . 1 1 13 13 ASN H H 13 9.318 9.318 8.378 0.940 19546 2471 1 10 . 1 1 14 14 ILE N N 14 123.984 123.984 122.688 1.296 19546 2472 1 10 . 1 1 14 14 ILE HA H 14 4.475 4.475 4.448 0.027 19546 2473 1 10 . 1 1 14 14 ILE CA C 14 60.582 60.582 60.761 -0.179 19546 2474 1 10 . 1 1 14 14 ILE CB C 14 38.573 38.573 41.819 -3.246 19546 2475 1 10 . 1 1 14 14 ILE H H 14 8.392 8.392 8.680 -0.288 19546 2476 1 10 . 1 1 15 15 GLY N N 15 115.533 115.533 112.399 3.134 19546 2477 1 10 . 1 1 15 15 GLY CA C 15 45.893 45.893 46.505 -0.612 19546 2478 1 10 . 1 1 15 15 GLY H H 15 9.148 9.148 8.584 0.564 19546 2479 1 10 . 1 1 16 16 ASP N N 16 121.039 121.039 121.891 -0.852 19546 2480 1 10 . 1 1 16 16 ASP HA H 16 4.969 4.969 4.726 0.243 19546 2481 1 10 . 1 1 16 16 ASP CA C 16 55.256 55.256 54.356 0.900 19546 2482 1 10 . 1 1 16 16 ASP CB C 16 42.342 42.342 41.651 0.691 19546 2483 1 10 . 1 1 16 16 ASP H H 16 8.809 8.809 8.292 0.517 19546 2484 1 10 . 1 1 17 17 ASP N N 17 115.538 115.538 119.274 -3.736 19546 2485 1 10 . 1 1 17 17 ASP HA H 17 4.749 4.749 4.793 -0.044 19546 2486 1 10 . 1 1 17 17 ASP CA C 17 54.134 54.134 54.106 0.028 19546 2487 1 10 . 1 1 17 17 ASP CB C 17 42.578 42.578 43.479 -0.901 19546 2488 1 10 . 1 1 17 17 ASP H H 17 8.140 8.140 7.972 0.168 19546 2489 1 10 . 1 1 18 18 ILE N N 18 118.702 118.702 119.721 -1.019 19546 2490 1 10 . 1 1 18 18 ILE HA H 18 5.239 5.239 4.728 0.511 19546 2491 1 10 . 1 1 18 18 ILE CA C 18 60.037 60.037 60.530 -0.493 19546 2492 1 10 . 1 1 18 18 ILE CB C 18 39.755 39.755 41.994 -2.239 19546 2493 1 10 . 1 1 18 18 ILE H H 18 7.183 7.183 7.667 -0.484 19546 2494 1 10 . 1 1 19 19 THR N N 19 122.806 122.806 122.157 0.649 19546 2495 1 10 . 1 1 19 19 THR HA H 19 5.110 5.110 4.961 0.149 19546 2496 1 10 . 1 1 19 19 THR CA C 19 60.845 60.845 61.749 -0.904 19546 2497 1 10 . 1 1 19 19 THR CB C 19 71.703 71.703 72.089 -0.386 19546 2498 1 10 . 1 1 19 19 THR H H 19 8.993 8.993 8.237 0.756 19546 2499 1 10 . 1 1 20 20 ILE N N 20 123.302 123.302 122.458 0.844 19546 2500 1 10 . 1 1 20 20 ILE HA H 20 4.891 4.891 4.856 0.035 19546 2501 1 10 . 1 1 20 20 ILE CA C 20 58.946 58.946 59.285 -0.339 19546 2502 1 10 . 1 1 20 20 ILE CB C 20 40.382 40.382 41.719 -1.337 19546 2503 1 10 . 1 1 20 20 ILE H H 20 8.918 8.918 9.100 -0.182 19546 2504 1 10 . 1 1 21 21 THR N N 21 123.751 123.751 119.527 4.224 19546 2505 1 10 . 1 1 21 21 THR HA H 21 4.837 4.837 4.929 -0.092 19546 2506 1 10 . 1 1 21 21 THR CA C 21 61.523 61.523 61.857 -0.334 19546 2507 1 10 . 1 1 21 21 THR CB C 21 71.939 71.939 72.257 -0.318 19546 2508 1 10 . 1 1 21 21 THR H H 21 9.398 9.398 8.891 0.507 19546 2509 1 10 . 1 1 22 22 ILE N N 22 125.736 125.736 125.962 -0.226 19546 2510 1 10 . 1 1 22 22 ILE HA H 22 4.119 4.119 4.552 -0.433 19546 2511 1 10 . 1 1 22 22 ILE CA C 22 59.111 59.111 58.541 0.570 19546 2512 1 10 . 1 1 22 22 ILE CB C 22 33.929 33.929 38.674 -4.745 19546 2513 1 10 . 1 1 22 22 ILE H H 22 8.053 8.053 8.535 -0.482 19546 2514 1 10 . 1 1 23 23 LEU N N 23 129.499 129.499 128.992 0.507 19546 2515 1 10 . 1 1 23 23 LEU HA H 23 4.529 4.529 4.282 0.247 19546 2516 1 10 . 1 1 23 23 LEU CA C 23 55.574 55.574 56.273 -0.699 19546 2517 1 10 . 1 1 23 23 LEU CB C 23 41.923 41.923 42.075 -0.152 19546 2518 1 10 . 1 1 23 23 LEU H H 23 8.890 8.890 8.310 0.580 19546 2519 1 10 . 1 1 24 24 GLY N N 24 104.858 104.858 104.157 0.701 19546 2520 1 10 . 1 1 24 24 GLY CA C 24 46.001 46.001 44.877 1.124 19546 2521 1 10 . 1 1 24 24 GLY H H 24 7.565 7.565 7.698 -0.133 19546 2522 1 10 . 1 1 25 25 VAL N N 25 120.794 120.794 118.867 1.927 19546 2523 1 10 . 1 1 25 25 VAL HA H 25 4.670 4.670 4.552 0.118 19546 2524 1 10 . 1 1 25 25 VAL CA C 25 61.459 61.459 59.317 2.142 19546 2525 1 10 . 1 1 25 25 VAL CB C 25 35.692 35.692 34.548 1.144 19546 2526 1 10 . 1 1 25 25 VAL H H 25 8.477 8.477 8.347 0.130 19546 2527 1 10 . 1 1 26 26 SER N N 26 122.022 122.022 121.455 0.567 19546 2528 1 10 . 1 1 26 26 SER HA H 26 4.691 4.691 4.645 0.046 19546 2529 1 10 . 1 1 26 26 SER CA C 26 56.322 56.322 57.839 -1.517 19546 2530 1 10 . 1 1 26 26 SER CB C 26 63.731 63.731 63.809 -0.078 19546 2531 1 10 . 1 1 26 26 SER H H 26 8.619 8.619 8.862 -0.243 19546 2532 1 10 . 1 1 27 27 GLY N N 27 118.775 118.775 112.924 5.851 19546 2533 1 10 . 1 1 27 27 GLY CA C 27 47.626 47.626 46.399 1.227 19546 2534 1 10 . 1 1 27 27 GLY H H 27 8.969 8.969 8.385 0.584 19546 2535 1 10 . 1 1 28 28 GLN N N 28 124.390 124.390 125.084 -0.694 19546 2536 1 10 . 1 1 28 28 GLN HA H 28 4.324 4.324 4.238 0.086 19546 2537 1 10 . 1 1 28 28 GLN CA C 28 54.980 54.980 56.984 -2.004 19546 2538 1 10 . 1 1 28 28 GLN CB C 28 29.553 29.553 29.219 0.334 19546 2539 1 10 . 1 1 28 28 GLN H H 28 8.761 8.761 8.649 0.112 19546 2540 1 10 . 1 1 29 29 GLN N N 29 116.885 116.885 117.466 -0.581 19546 2541 1 10 . 1 1 29 29 GLN HA H 29 4.651 4.651 4.663 -0.012 19546 2542 1 10 . 1 1 29 29 GLN CA C 29 55.364 55.364 54.591 0.773 19546 2543 1 10 . 1 1 29 29 GLN CB C 29 31.289 31.289 32.706 -1.417 19546 2544 1 10 . 1 1 29 29 GLN H H 29 8.307 8.307 7.474 0.833 19546 2545 1 10 . 1 1 30 30 VAL N N 30 123.399 123.399 119.092 4.307 19546 2546 1 10 . 1 1 30 30 VAL HA H 30 4.602 4.602 4.348 0.254 19546 2547 1 10 . 1 1 30 30 VAL CA C 30 60.710 60.710 61.025 -0.315 19546 2548 1 10 . 1 1 30 30 VAL CB C 30 34.560 34.560 35.084 -0.524 19546 2549 1 10 . 1 1 30 30 VAL H H 30 9.103 9.103 8.346 0.757 19546 2550 1 10 . 1 1 31 31 ARG N N 31 128.722 128.722 125.675 3.047 19546 2551 1 10 . 1 1 31 31 ARG HA H 31 4.659 4.659 4.822 -0.163 19546 2552 1 10 . 1 1 31 31 ARG CA C 31 55.755 55.755 54.315 1.440 19546 2553 1 10 . 1 1 31 31 ARG CB C 31 31.871 31.871 31.922 -0.051 19546 2554 1 10 . 1 1 31 31 ARG H H 31 8.750 8.750 8.771 -0.021 19546 2555 1 10 . 1 1 32 32 ILE N N 32 127.760 127.760 119.474 8.286 19546 2556 1 10 . 1 1 32 32 ILE HA H 32 4.652 4.652 5.063 -0.411 19546 2557 1 10 . 1 1 32 32 ILE CA C 32 59.738 59.738 58.789 0.949 19546 2558 1 10 . 1 1 32 32 ILE CB C 32 41.082 41.082 42.234 -1.152 19546 2559 1 10 . 1 1 32 32 ILE H H 32 9.069 9.069 8.525 0.544 19546 2560 1 10 . 1 1 33 33 GLY N N 33 112.098 112.098 109.690 2.408 19546 2561 1 10 . 1 1 33 33 GLY CA C 33 44.565 44.565 43.619 0.946 19546 2562 1 10 . 1 1 33 33 GLY H H 33 9.075 9.075 8.760 0.315 19546 2563 1 10 . 1 1 34 34 ILE N N 34 124.988 124.988 119.803 5.185 19546 2564 1 10 . 1 1 34 34 ILE HA H 34 4.863 4.863 4.509 0.354 19546 2565 1 10 . 1 1 34 34 ILE CA C 34 61.053 61.053 60.759 0.294 19546 2566 1 10 . 1 1 34 34 ILE CB C 34 41.339 41.339 42.100 -0.761 19546 2567 1 10 . 1 1 34 34 ILE H H 34 9.654 9.654 8.210 1.444 19546 2568 1 10 . 1 1 35 35 ASN N N 35 129.566 129.566 125.606 3.960 19546 2569 1 10 . 1 1 35 35 ASN HA H 35 5.102 5.102 4.935 0.167 19546 2570 1 10 . 1 1 35 35 ASN CA C 35 52.166 52.166 52.210 -0.044 19546 2571 1 10 . 1 1 35 35 ASN CB C 35 40.191 40.191 39.274 0.917 19546 2572 1 10 . 1 1 35 35 ASN H H 35 9.013 9.013 8.998 0.015 19546 2573 1 10 . 1 1 36 36 ALA N N 36 125.469 125.469 125.143 0.326 19546 2574 1 10 . 1 1 36 36 ALA HA H 36 5.066 5.066 5.287 -0.221 19546 2575 1 10 . 1 1 36 36 ALA CA C 36 49.445 49.445 48.966 0.479 19546 2576 1 10 . 1 1 36 36 ALA CB C 36 19.884 19.884 20.647 -0.763 19546 2577 1 10 . 1 1 36 36 ALA H H 36 8.205 8.205 7.648 0.557 19546 2578 1 10 . 1 1 37 37 PRO HA H 37 4.415 4.415 4.546 -0.131 19546 2579 1 10 . 1 1 37 37 PRO CA C 37 62.961 62.961 62.225 0.736 19546 2580 1 10 . 1 1 37 37 PRO CB C 37 32.374 32.374 33.112 -0.738 19546 2581 1 10 . 1 1 38 38 LYS N N 38 121.088 121.088 120.069 1.019 19546 2582 1 10 . 1 1 38 38 LYS HA H 38 3.794 3.794 4.133 -0.339 19546 2583 1 10 . 1 1 38 38 LYS CA C 38 58.747 58.747 57.834 0.913 19546 2584 1 10 . 1 1 38 38 LYS CB C 38 31.857 31.857 32.069 -0.212 19546 2585 1 10 . 1 1 38 38 LYS H H 38 8.581 8.581 8.554 0.027 19546 2586 1 10 . 1 1 39 39 ASP N N 39 113.879 113.879 117.492 -3.613 19546 2587 1 10 . 1 1 39 39 ASP HA H 39 4.364 4.364 4.537 -0.173 19546 2588 1 10 . 1 1 39 39 ASP CA C 39 54.027 54.027 55.414 -1.387 19546 2589 1 10 . 1 1 39 39 ASP CB C 39 39.749 39.749 41.059 -1.310 19546 2590 1 10 . 1 1 39 39 ASP H H 39 8.164 8.164 8.052 0.112 19546 2591 1 10 . 1 1 40 40 VAL N N 40 122.755 122.755 115.870 6.885 19546 2592 1 10 . 1 1 40 40 VAL HA H 40 3.975 3.975 4.443 -0.468 19546 2593 1 10 . 1 1 40 40 VAL CA C 40 61.937 61.937 59.683 2.254 19546 2594 1 10 . 1 1 40 40 VAL CB C 40 31.941 31.941 34.075 -2.134 19546 2595 1 10 . 1 1 40 40 VAL H H 40 8.053 8.053 7.545 0.508 19546 2596 1 10 . 1 1 41 41 ALA N N 41 133.718 133.718 127.986 5.732 19546 2597 1 10 . 1 1 41 41 ALA HA H 41 4.445 4.445 4.379 0.066 19546 2598 1 10 . 1 1 41 41 ALA CA C 41 52.269 52.269 52.477 -0.208 19546 2599 1 10 . 1 1 41 41 ALA CB C 41 19.053 19.053 19.359 -0.306 19546 2600 1 10 . 1 1 41 41 ALA H H 41 8.927 8.927 8.311 0.616 19546 2601 1 10 . 1 1 42 42 VAL N N 42 125.374 125.374 122.480 2.894 19546 2602 1 10 . 1 1 42 42 VAL HA H 42 4.384 4.384 4.340 0.044 19546 2603 1 10 . 1 1 42 42 VAL CA C 42 60.485 60.485 62.267 -1.782 19546 2604 1 10 . 1 1 42 42 VAL CB C 42 33.636 33.636 33.572 0.064 19546 2605 1 10 . 1 1 42 42 VAL H H 42 7.899 7.899 7.896 0.003 19546 2606 1 10 . 1 1 43 43 HIS N N 43 118.709 118.709 124.241 -5.532 19546 2607 1 10 . 1 1 43 43 HIS HA H 43 5.505 5.505 4.992 0.513 19546 2608 1 10 . 1 1 43 43 HIS CA C 43 53.758 53.758 55.099 -1.341 19546 2609 1 10 . 1 1 43 43 HIS CB C 43 37.671 37.671 31.926 5.745 19546 2610 1 10 . 1 1 43 43 HIS H H 43 8.580 8.580 8.154 0.426 19546 2611 1 10 . 1 1 44 44 ARG N N 44 121.721 121.721 121.041 0.680 19546 2612 1 10 . 1 1 44 44 ARG HA H 44 3.923 3.923 4.407 -0.484 19546 2613 1 10 . 1 1 44 44 ARG CA C 44 58.392 58.392 55.716 2.676 19546 2614 1 10 . 1 1 44 44 ARG H H 44 8.396 8.396 8.781 -0.385 19546 2615 1 10 . 1 1 45 45 GLU N N 45 126.002 126.002 122.386 3.616 19546 2616 1 10 . 1 1 45 45 GLU HA H 45 4.384 4.384 4.041 0.343 19546 2617 1 10 . 1 1 45 45 GLU CA C 45 59.792 59.792 59.330 0.462 19546 2618 1 10 . 1 1 45 45 GLU CB C 45 29.945 29.945 29.134 0.812 19546 2619 1 10 . 1 1 45 45 GLU H H 45 7.892 7.892 8.926 -1.034 19546 2620 1 10 . 1 1 46 46 GLU N N 46 118.201 118.201 118.367 -0.166 19546 2621 1 10 . 1 1 46 46 GLU HA H 46 4.212 4.212 4.192 0.020 19546 2622 1 10 . 1 1 46 46 GLU CA C 46 58.717 58.717 58.434 0.284 19546 2623 1 10 . 1 1 46 46 GLU CB C 46 27.031 27.031 29.527 -2.496 19546 2624 1 10 . 1 1 46 46 GLU H H 46 10.804 10.804 8.680 2.124 19546 2625 1 10 . 1 1 47 47 ILE N N 47 122.295 122.295 117.121 5.174 19546 2626 1 10 . 1 1 47 47 ILE HA H 47 3.526 3.526 4.115 -0.589 19546 2627 1 10 . 1 1 47 47 ILE CA C 47 60.756 60.756 62.190 -1.434 19546 2628 1 10 . 1 1 47 47 ILE CB C 47 34.770 34.770 40.351 -5.581 19546 2629 1 10 . 1 1 47 47 ILE H H 47 7.177 7.177 7.622 -0.445 19546 2630 1 10 . 1 1 48 48 TYR N N 48 122.359 122.359 121.999 0.360 19546 2631 1 10 . 1 1 48 48 TYR HA H 48 3.542 3.542 3.905 -0.363 19546 2632 1 10 . 1 1 48 48 TYR CA C 48 62.507 62.507 63.005 -0.498 19546 2633 1 10 . 1 1 48 48 TYR CB C 48 39.069 39.069 38.901 0.168 19546 2634 1 10 . 1 1 48 48 TYR H H 48 7.949 7.949 8.931 -0.982 19546 2635 1 10 . 1 1 49 49 GLN N N 49 115.099 115.099 115.336 -0.237 19546 2636 1 10 . 1 1 49 49 GLN HA H 49 3.821 3.821 4.075 -0.254 19546 2637 1 10 . 1 1 49 49 GLN CA C 49 58.633 58.633 57.644 0.989 19546 2638 1 10 . 1 1 49 49 GLN CB C 49 28.038 28.038 28.819 -0.781 19546 2639 1 10 . 1 1 49 49 GLN H H 49 8.597 8.597 8.117 0.480 19546 2640 1 10 . 1 1 50 50 ARG N N 50 120.635 120.635 117.394 3.241 19546 2641 1 10 . 1 1 50 50 ARG HA H 50 3.938 3.938 4.242 -0.304 19546 2642 1 10 . 1 1 50 50 ARG CA C 50 59.616 59.616 57.739 1.877 19546 2643 1 10 . 1 1 50 50 ARG CB C 50 30.462 30.462 30.693 -0.231 19546 2644 1 10 . 1 1 50 50 ARG H H 50 7.134 7.134 7.474 -0.340 19546 2645 1 10 . 1 1 51 51 ILE N N 51 120.637 120.637 120.385 0.252 19546 2646 1 10 . 1 1 51 51 ILE HA H 51 3.521 3.521 3.713 -0.192 19546 2647 1 10 . 1 1 51 51 ILE CA C 51 65.010 65.010 64.264 0.746 19546 2648 1 10 . 1 1 51 51 ILE CB C 51 37.878 37.878 38.134 -0.256 19546 2649 1 10 . 1 1 51 51 ILE H H 51 7.694 7.694 7.617 0.077 19546 2650 1 10 . 1 1 52 52 GLN N N 52 118.700 118.700 116.668 2.032 19546 2651 1 10 . 1 1 52 52 GLN HA H 52 3.768 3.768 3.978 -0.210 19546 2652 1 10 . 1 1 52 52 GLN CA C 52 57.616 57.616 56.107 1.509 19546 2653 1 10 . 1 1 52 52 GLN CB C 52 28.095 28.095 27.396 0.699 19546 2654 1 10 . 1 1 52 52 GLN H H 52 7.910 7.910 7.632 0.278 19546 2655 1 10 . 1 1 53 53 ALA N N 53 120.010 120.010 120.815 -0.805 19546 2656 1 10 . 1 1 53 53 ALA HA H 53 4.185 4.185 4.179 0.006 19546 2657 1 10 . 1 1 53 53 ALA CA C 53 53.071 53.071 52.821 0.250 19546 2658 1 10 . 1 1 53 53 ALA CB C 53 18.546 18.546 19.319 -0.773 19546 2659 1 10 . 1 1 53 53 ALA H H 53 7.554 7.554 7.105 0.449 19546 2660 1 10 . 1 1 54 54 GLY N N 54 105.898 105.898 104.620 1.278 19546 2661 1 10 . 1 1 54 54 GLY CA C 54 45.605 45.605 44.821 0.784 19546 2662 1 10 . 1 1 54 54 GLY H H 54 7.692 7.692 7.798 -0.106 19546 2663 1 10 . 1 1 55 55 LEU N N 55 120.793 120.793 117.675 3.118 19546 2664 1 10 . 1 1 55 55 LEU HA H 55 4.352 4.352 5.112 -0.760 19546 2665 1 10 . 1 1 55 55 LEU CA C 55 54.964 54.964 53.539 1.425 19546 2666 1 10 . 1 1 55 55 LEU CB C 55 42.006 42.006 42.845 -0.839 19546 2667 1 10 . 1 1 55 55 LEU H H 55 7.669 7.669 7.796 -0.127 19546 2668 1 10 . 1 1 56 56 THR N N 56 114.129 114.129 109.882 4.247 19546 2669 1 10 . 1 1 56 56 THR HA H 56 4.278 4.278 4.446 -0.168 19546 2670 1 10 . 1 1 56 56 THR CA C 56 61.492 61.492 60.201 1.291 19546 2671 1 10 . 1 1 56 56 THR CB C 56 69.957 69.957 70.684 -0.727 19546 2672 1 10 . 1 1 56 56 THR H H 56 7.928 7.928 7.868 0.060 19546 2673 1 10 . 1 1 57 57 ALA N N 57 127.280 127.280 124.084 3.196 19546 2674 1 10 . 1 1 57 57 ALA HA H 57 4.178 4.178 4.340 -0.162 19546 2675 1 10 . 1 1 57 57 ALA CA C 57 50.568 50.568 51.743 -1.175 19546 2676 1 10 . 1 1 57 57 ALA CB C 57 17.738 17.738 18.181 -0.443 19546 2677 1 10 . 1 1 57 57 ALA H H 57 8.110 8.110 8.180 -0.070 19546 2678 1 10 . 1 1 58 58 PRO HA H 58 4.279 4.279 4.579 -0.300 19546 2679 1 10 . 1 1 58 58 PRO CA C 58 63.266 63.266 62.453 0.813 19546 2680 1 10 . 1 1 58 58 PRO CB C 58 31.983 31.983 32.686 -0.703 19546 2681 1 11 . 1 1 2 2 LEU N N 2 124.364 124.364 125.814 -1.450 19546 2682 1 11 . 1 1 2 2 LEU HA H 2 4.547 4.547 4.723 -0.176 19546 2683 1 11 . 1 1 2 2 LEU CA C 2 54.353 54.353 54.451 -0.098 19546 2684 1 11 . 1 1 2 2 LEU CB C 2 42.514 42.514 42.694 -0.180 19546 2685 1 11 . 1 1 2 2 LEU H H 2 8.494 8.494 8.368 0.126 19546 2686 1 11 . 1 1 3 3 ILE N N 3 130.774 130.774 123.249 7.525 19546 2687 1 11 . 1 1 3 3 ILE HA H 3 5.071 5.071 4.403 0.668 19546 2688 1 11 . 1 1 3 3 ILE CA C 3 60.083 60.083 61.106 -1.023 19546 2689 1 11 . 1 1 3 3 ILE CB C 3 37.710 37.710 39.717 -2.007 19546 2690 1 11 . 1 1 3 3 ILE H H 3 10.676 10.676 8.247 2.429 19546 2691 1 11 . 1 1 4 4 LEU N N 4 122.204 122.204 127.487 -5.283 19546 2692 1 11 . 1 1 4 4 LEU HA H 4 4.535 4.535 4.781 -0.246 19546 2693 1 11 . 1 1 4 4 LEU CA C 4 52.555 52.555 53.699 -1.143 19546 2694 1 11 . 1 1 4 4 LEU CB C 4 47.177 47.177 44.274 2.903 19546 2695 1 11 . 1 1 4 4 LEU H H 4 8.587 8.587 8.406 0.181 19546 2696 1 11 . 1 1 5 5 THR N N 5 119.940 119.940 117.699 2.241 19546 2697 1 11 . 1 1 5 5 THR HA H 5 5.476 5.476 4.659 0.817 19546 2698 1 11 . 1 1 5 5 THR CA C 5 61.923 61.923 61.787 0.136 19546 2699 1 11 . 1 1 5 5 THR CB C 5 68.963 68.963 69.470 -0.507 19546 2700 1 11 . 1 1 5 5 THR H H 5 9.161 9.161 8.265 0.896 19546 2701 1 11 . 1 1 6 6 ARG N N 6 126.862 126.862 123.062 3.800 19546 2702 1 11 . 1 1 6 6 ARG HA H 6 5.023 5.023 4.766 0.257 19546 2703 1 11 . 1 1 6 6 ARG CA C 6 55.325 55.325 54.703 0.622 19546 2704 1 11 . 1 1 6 6 ARG CB C 6 38.076 38.076 33.200 4.876 19546 2705 1 11 . 1 1 6 6 ARG H H 6 9.619 9.619 8.424 1.195 19546 2706 1 11 . 1 1 7 7 LYS N N 7 123.703 123.703 120.679 3.024 19546 2707 1 11 . 1 1 7 7 LYS HA H 7 5.069 5.069 4.674 0.395 19546 2708 1 11 . 1 1 7 7 LYS CA C 7 54.427 54.427 55.105 -0.678 19546 2709 1 11 . 1 1 7 7 LYS CB C 7 34.217 34.217 34.435 -0.218 19546 2710 1 11 . 1 1 7 7 LYS H H 7 9.450 9.450 9.206 0.244 19546 2711 1 11 . 1 1 8 8 VAL N N 8 118.617 118.617 118.321 0.296 19546 2712 1 11 . 1 1 8 8 VAL HA H 8 3.315 3.315 3.811 -0.496 19546 2713 1 11 . 1 1 8 8 VAL CA C 8 66.050 66.050 63.150 2.900 19546 2714 1 11 . 1 1 8 8 VAL CB C 8 31.491 31.491 30.678 0.813 19546 2715 1 11 . 1 1 8 8 VAL H H 8 7.741 7.741 8.357 -0.616 19546 2716 1 11 . 1 1 9 9 GLY N N 9 116.069 116.069 115.386 0.683 19546 2717 1 11 . 1 1 9 9 GLY CA C 9 44.524 44.524 44.900 -0.376 19546 2718 1 11 . 1 1 9 9 GLY H H 9 9.269 9.269 8.522 0.747 19546 2719 1 11 . 1 1 10 10 GLU N N 10 119.364 119.364 119.978 -0.614 19546 2720 1 11 . 1 1 10 10 GLU HA H 10 4.891 4.891 4.802 0.089 19546 2721 1 11 . 1 1 10 10 GLU CA C 10 55.788 55.788 54.425 1.363 19546 2722 1 11 . 1 1 10 10 GLU CB C 10 32.873 32.873 32.818 0.055 19546 2723 1 11 . 1 1 10 10 GLU H H 10 8.426 8.426 7.992 0.434 19546 2724 1 11 . 1 1 11 11 SER N N 11 112.510 112.510 113.072 -0.562 19546 2725 1 11 . 1 1 11 11 SER HA H 11 5.882 5.882 5.290 0.592 19546 2726 1 11 . 1 1 11 11 SER CA C 11 57.997 57.997 57.161 0.836 19546 2727 1 11 . 1 1 11 11 SER CB C 11 66.884 66.884 66.069 0.815 19546 2728 1 11 . 1 1 11 11 SER H H 11 8.672 8.672 8.320 0.352 19546 2729 1 11 . 1 1 12 12 ILE N N 12 124.592 124.592 119.864 4.728 19546 2730 1 11 . 1 1 12 12 ILE HA H 12 4.365 4.365 4.531 -0.166 19546 2731 1 11 . 1 1 12 12 ILE CA C 12 59.814 59.814 59.130 0.684 19546 2732 1 11 . 1 1 12 12 ILE CB C 12 42.616 42.616 42.261 0.354 19546 2733 1 11 . 1 1 12 12 ILE H H 12 9.265 9.265 8.882 0.383 19546 2734 1 11 . 1 1 13 13 ASN N N 13 126.127 126.127 121.273 4.854 19546 2735 1 11 . 1 1 13 13 ASN HA H 13 4.947 4.947 5.214 -0.267 19546 2736 1 11 . 1 1 13 13 ASN CA C 13 53.571 53.571 52.198 1.373 19546 2737 1 11 . 1 1 13 13 ASN CB C 13 41.491 41.491 41.614 -0.123 19546 2738 1 11 . 1 1 13 13 ASN H H 13 9.318 9.318 8.381 0.937 19546 2739 1 11 . 1 1 14 14 ILE N N 14 123.984 123.984 122.723 1.261 19546 2740 1 11 . 1 1 14 14 ILE HA H 14 4.475 4.475 4.448 0.027 19546 2741 1 11 . 1 1 14 14 ILE CA C 14 60.582 60.582 60.755 -0.173 19546 2742 1 11 . 1 1 14 14 ILE CB C 14 38.573 38.573 41.812 -3.239 19546 2743 1 11 . 1 1 14 14 ILE H H 14 8.392 8.392 8.668 -0.276 19546 2744 1 11 . 1 1 15 15 GLY N N 15 115.533 115.533 112.752 2.781 19546 2745 1 11 . 1 1 15 15 GLY CA C 15 45.893 45.893 46.161 -0.268 19546 2746 1 11 . 1 1 15 15 GLY H H 15 9.148 9.148 8.624 0.524 19546 2747 1 11 . 1 1 16 16 ASP N N 16 121.039 121.039 122.756 -1.717 19546 2748 1 11 . 1 1 16 16 ASP HA H 16 4.969 4.969 4.733 0.236 19546 2749 1 11 . 1 1 16 16 ASP CA C 16 55.256 55.256 54.347 0.909 19546 2750 1 11 . 1 1 16 16 ASP CB C 16 42.342 42.342 41.723 0.619 19546 2751 1 11 . 1 1 16 16 ASP H H 16 8.809 8.809 8.404 0.405 19546 2752 1 11 . 1 1 17 17 ASP N N 17 115.538 115.538 119.923 -4.385 19546 2753 1 11 . 1 1 17 17 ASP HA H 17 4.749 4.749 4.866 -0.117 19546 2754 1 11 . 1 1 17 17 ASP CA C 17 54.134 54.134 54.211 -0.077 19546 2755 1 11 . 1 1 17 17 ASP CB C 17 42.578 42.578 43.587 -1.009 19546 2756 1 11 . 1 1 17 17 ASP H H 17 8.140 8.140 8.055 0.085 19546 2757 1 11 . 1 1 18 18 ILE N N 18 118.702 118.702 119.961 -1.259 19546 2758 1 11 . 1 1 18 18 ILE HA H 18 5.239 5.239 4.717 0.522 19546 2759 1 11 . 1 1 18 18 ILE CA C 18 60.037 60.037 60.377 -0.340 19546 2760 1 11 . 1 1 18 18 ILE CB C 18 39.755 39.755 41.913 -2.158 19546 2761 1 11 . 1 1 18 18 ILE H H 18 7.183 7.183 7.727 -0.544 19546 2762 1 11 . 1 1 19 19 THR N N 19 122.806 122.806 122.308 0.498 19546 2763 1 11 . 1 1 19 19 THR HA H 19 5.110 5.110 5.010 0.100 19546 2764 1 11 . 1 1 19 19 THR CA C 19 60.845 60.845 61.481 -0.636 19546 2765 1 11 . 1 1 19 19 THR CB C 19 71.703 71.703 72.107 -0.404 19546 2766 1 11 . 1 1 19 19 THR H H 19 8.993 8.993 8.326 0.667 19546 2767 1 11 . 1 1 20 20 ILE N N 20 123.302 123.302 122.642 0.660 19546 2768 1 11 . 1 1 20 20 ILE HA H 20 4.891 4.891 4.782 0.109 19546 2769 1 11 . 1 1 20 20 ILE CA C 20 58.946 58.946 59.281 -0.335 19546 2770 1 11 . 1 1 20 20 ILE CB C 20 40.382 40.382 41.837 -1.455 19546 2771 1 11 . 1 1 20 20 ILE H H 20 8.918 8.918 9.137 -0.219 19546 2772 1 11 . 1 1 21 21 THR N N 21 123.751 123.751 118.866 4.885 19546 2773 1 11 . 1 1 21 21 THR HA H 21 4.837 4.837 4.966 -0.129 19546 2774 1 11 . 1 1 21 21 THR CA C 21 61.523 61.523 61.390 0.133 19546 2775 1 11 . 1 1 21 21 THR CB C 21 71.939 71.939 72.219 -0.280 19546 2776 1 11 . 1 1 21 21 THR H H 21 9.398 9.398 8.972 0.426 19546 2777 1 11 . 1 1 22 22 ILE N N 22 125.736 125.736 125.364 0.372 19546 2778 1 11 . 1 1 22 22 ILE HA H 22 4.119 4.119 4.484 -0.365 19546 2779 1 11 . 1 1 22 22 ILE CA C 22 59.111 59.111 58.670 0.441 19546 2780 1 11 . 1 1 22 22 ILE CB C 22 33.929 33.929 38.862 -4.933 19546 2781 1 11 . 1 1 22 22 ILE H H 22 8.053 8.053 8.356 -0.303 19546 2782 1 11 . 1 1 23 23 LEU N N 23 129.499 129.499 129.393 0.106 19546 2783 1 11 . 1 1 23 23 LEU HA H 23 4.529 4.529 4.344 0.185 19546 2784 1 11 . 1 1 23 23 LEU CA C 23 55.574 55.574 56.164 -0.590 19546 2785 1 11 . 1 1 23 23 LEU CB C 23 41.923 41.923 42.235 -0.312 19546 2786 1 11 . 1 1 23 23 LEU H H 23 8.890 8.890 8.285 0.605 19546 2787 1 11 . 1 1 24 24 GLY N N 24 104.858 104.858 103.464 1.394 19546 2788 1 11 . 1 1 24 24 GLY CA C 24 46.001 46.001 44.294 1.708 19546 2789 1 11 . 1 1 24 24 GLY H H 24 7.565 7.565 7.647 -0.082 19546 2790 1 11 . 1 1 25 25 VAL N N 25 120.794 120.794 118.306 2.488 19546 2791 1 11 . 1 1 25 25 VAL HA H 25 4.670 4.670 4.359 0.311 19546 2792 1 11 . 1 1 25 25 VAL CA C 25 61.459 61.459 61.490 -0.031 19546 2793 1 11 . 1 1 25 25 VAL CB C 25 35.692 35.692 33.038 2.654 19546 2794 1 11 . 1 1 25 25 VAL H H 25 8.477 8.477 8.133 0.344 19546 2795 1 11 . 1 1 26 26 SER N N 26 122.022 122.022 117.316 4.706 19546 2796 1 11 . 1 1 26 26 SER HA H 26 4.691 4.691 4.562 0.129 19546 2797 1 11 . 1 1 26 26 SER CA C 26 56.322 56.322 58.218 -1.896 19546 2798 1 11 . 1 1 26 26 SER CB C 26 63.731 63.731 63.850 -0.119 19546 2799 1 11 . 1 1 26 26 SER H H 26 8.619 8.619 8.757 -0.138 19546 2800 1 11 . 1 1 27 27 GLY N N 27 118.775 118.775 112.028 6.747 19546 2801 1 11 . 1 1 27 27 GLY CA C 27 47.626 47.626 45.434 2.192 19546 2802 1 11 . 1 1 27 27 GLY H H 27 8.969 8.969 8.095 0.874 19546 2803 1 11 . 1 1 28 28 GLN N N 28 124.390 124.390 124.605 -0.215 19546 2804 1 11 . 1 1 28 28 GLN HA H 28 4.324 4.324 4.229 0.095 19546 2805 1 11 . 1 1 28 28 GLN CA C 28 54.980 54.980 56.540 -1.560 19546 2806 1 11 . 1 1 28 28 GLN CB C 28 29.553 29.553 28.843 0.710 19546 2807 1 11 . 1 1 28 28 GLN H H 28 8.761 8.761 8.651 0.110 19546 2808 1 11 . 1 1 29 29 GLN N N 29 116.885 116.885 118.151 -1.266 19546 2809 1 11 . 1 1 29 29 GLN HA H 29 4.651 4.651 4.596 0.055 19546 2810 1 11 . 1 1 29 29 GLN CA C 29 55.364 55.364 54.963 0.401 19546 2811 1 11 . 1 1 29 29 GLN CB C 29 31.289 31.289 31.865 -0.576 19546 2812 1 11 . 1 1 29 29 GLN H H 29 8.307 8.307 7.498 0.809 19546 2813 1 11 . 1 1 30 30 VAL N N 30 123.399 123.399 118.338 5.061 19546 2814 1 11 . 1 1 30 30 VAL HA H 30 4.602 4.602 4.559 0.043 19546 2815 1 11 . 1 1 30 30 VAL CA C 30 60.710 60.710 61.108 -0.398 19546 2816 1 11 . 1 1 30 30 VAL CB C 30 34.560 34.560 35.359 -0.799 19546 2817 1 11 . 1 1 30 30 VAL H H 30 9.103 9.103 8.237 0.866 19546 2818 1 11 . 1 1 31 31 ARG N N 31 128.722 128.722 126.907 1.815 19546 2819 1 11 . 1 1 31 31 ARG HA H 31 4.659 4.659 4.849 -0.190 19546 2820 1 11 . 1 1 31 31 ARG CA C 31 55.755 55.755 54.798 0.957 19546 2821 1 11 . 1 1 31 31 ARG CB C 31 31.871 31.871 32.981 -1.110 19546 2822 1 11 . 1 1 31 31 ARG H H 31 8.750 8.750 8.732 0.018 19546 2823 1 11 . 1 1 32 32 ILE N N 32 127.760 127.760 119.605 8.155 19546 2824 1 11 . 1 1 32 32 ILE HA H 32 4.652 4.652 4.968 -0.316 19546 2825 1 11 . 1 1 32 32 ILE CA C 32 59.738 59.738 58.747 0.991 19546 2826 1 11 . 1 1 32 32 ILE CB C 32 41.082 41.082 41.907 -0.825 19546 2827 1 11 . 1 1 32 32 ILE H H 32 9.069 9.069 8.513 0.556 19546 2828 1 11 . 1 1 33 33 GLY N N 33 112.098 112.098 109.666 2.432 19546 2829 1 11 . 1 1 33 33 GLY CA C 33 44.565 44.565 43.582 0.983 19546 2830 1 11 . 1 1 33 33 GLY H H 33 9.075 9.075 8.825 0.250 19546 2831 1 11 . 1 1 34 34 ILE N N 34 124.988 124.988 119.384 5.604 19546 2832 1 11 . 1 1 34 34 ILE HA H 34 4.863 4.863 4.532 0.331 19546 2833 1 11 . 1 1 34 34 ILE CA C 34 61.053 61.053 60.728 0.325 19546 2834 1 11 . 1 1 34 34 ILE CB C 34 41.339 41.339 42.245 -0.906 19546 2835 1 11 . 1 1 34 34 ILE H H 34 9.654 9.654 8.259 1.395 19546 2836 1 11 . 1 1 35 35 ASN N N 35 129.566 129.566 124.042 5.524 19546 2837 1 11 . 1 1 35 35 ASN HA H 35 5.102 5.102 4.963 0.139 19546 2838 1 11 . 1 1 35 35 ASN CA C 35 52.166 52.166 52.837 -0.671 19546 2839 1 11 . 1 1 35 35 ASN CB C 35 40.191 40.191 39.652 0.539 19546 2840 1 11 . 1 1 35 35 ASN H H 35 9.013 9.013 8.983 0.030 19546 2841 1 11 . 1 1 36 36 ALA N N 36 125.469 125.469 124.119 1.350 19546 2842 1 11 . 1 1 36 36 ALA HA H 36 5.066 5.066 5.250 -0.184 19546 2843 1 11 . 1 1 36 36 ALA CA C 36 49.445 49.445 49.017 0.428 19546 2844 1 11 . 1 1 36 36 ALA CB C 36 19.884 19.884 20.865 -0.981 19546 2845 1 11 . 1 1 36 36 ALA H H 36 8.205 8.205 7.786 0.419 19546 2846 1 11 . 1 1 37 37 PRO HA H 37 4.415 4.415 4.569 -0.154 19546 2847 1 11 . 1 1 37 37 PRO CA C 37 62.961 62.961 62.321 0.640 19546 2848 1 11 . 1 1 37 37 PRO CB C 37 32.374 32.374 32.782 -0.408 19546 2849 1 11 . 1 1 38 38 LYS N N 38 121.088 121.088 120.069 1.019 19546 2850 1 11 . 1 1 38 38 LYS HA H 38 3.794 3.794 4.133 -0.339 19546 2851 1 11 . 1 1 38 38 LYS CA C 38 58.747 58.747 57.844 0.902 19546 2852 1 11 . 1 1 38 38 LYS CB C 38 31.857 31.857 32.080 -0.223 19546 2853 1 11 . 1 1 38 38 LYS H H 38 8.581 8.581 8.561 0.020 19546 2854 1 11 . 1 1 39 39 ASP N N 39 113.879 113.879 117.485 -3.606 19546 2855 1 11 . 1 1 39 39 ASP HA H 39 4.364 4.364 4.548 -0.184 19546 2856 1 11 . 1 1 39 39 ASP CA C 39 54.027 54.027 55.407 -1.380 19546 2857 1 11 . 1 1 39 39 ASP CB C 39 39.749 39.749 41.086 -1.337 19546 2858 1 11 . 1 1 39 39 ASP H H 39 8.164 8.164 8.050 0.114 19546 2859 1 11 . 1 1 40 40 VAL N N 40 122.755 122.755 115.860 6.895 19546 2860 1 11 . 1 1 40 40 VAL HA H 40 3.975 3.975 4.451 -0.476 19546 2861 1 11 . 1 1 40 40 VAL CA C 40 61.937 61.937 59.674 2.263 19546 2862 1 11 . 1 1 40 40 VAL CB C 40 31.941 31.941 34.119 -2.178 19546 2863 1 11 . 1 1 40 40 VAL H H 40 8.053 8.053 7.554 0.499 19546 2864 1 11 . 1 1 41 41 ALA N N 41 133.718 133.718 127.874 5.844 19546 2865 1 11 . 1 1 41 41 ALA HA H 41 4.445 4.445 4.439 0.006 19546 2866 1 11 . 1 1 41 41 ALA CA C 41 52.269 52.269 52.738 -0.469 19546 2867 1 11 . 1 1 41 41 ALA CB C 41 19.053 19.053 19.461 -0.408 19546 2868 1 11 . 1 1 41 41 ALA H H 41 8.927 8.927 8.334 0.593 19546 2869 1 11 . 1 1 42 42 VAL N N 42 125.374 125.374 123.124 2.250 19546 2870 1 11 . 1 1 42 42 VAL HA H 42 4.384 4.384 4.327 0.057 19546 2871 1 11 . 1 1 42 42 VAL CA C 42 60.485 60.485 62.436 -1.951 19546 2872 1 11 . 1 1 42 42 VAL CB C 42 33.636 33.636 33.273 0.363 19546 2873 1 11 . 1 1 42 42 VAL H H 42 7.899 7.899 7.967 -0.068 19546 2874 1 11 . 1 1 43 43 HIS N N 43 118.709 118.709 125.045 -6.336 19546 2875 1 11 . 1 1 43 43 HIS HA H 43 5.505 5.505 5.053 0.452 19546 2876 1 11 . 1 1 43 43 HIS CA C 43 53.758 53.758 55.149 -1.391 19546 2877 1 11 . 1 1 43 43 HIS CB C 43 37.671 37.671 32.018 5.653 19546 2878 1 11 . 1 1 43 43 HIS H H 43 8.580 8.580 8.214 0.366 19546 2879 1 11 . 1 1 44 44 ARG N N 44 121.721 121.721 121.241 0.480 19546 2880 1 11 . 1 1 44 44 ARG HA H 44 3.923 3.923 4.377 -0.454 19546 2881 1 11 . 1 1 44 44 ARG CA C 44 58.392 58.392 56.132 2.260 19546 2882 1 11 . 1 1 44 44 ARG H H 44 8.396 8.396 8.670 -0.274 19546 2883 1 11 . 1 1 45 45 GLU N N 45 126.002 126.002 122.076 3.926 19546 2884 1 11 . 1 1 45 45 GLU HA H 45 4.384 4.384 4.064 0.320 19546 2885 1 11 . 1 1 45 45 GLU CA C 45 59.792 59.792 58.961 0.831 19546 2886 1 11 . 1 1 45 45 GLU CB C 45 29.945 29.945 29.192 0.753 19546 2887 1 11 . 1 1 45 45 GLU H H 45 7.892 7.892 8.988 -1.096 19546 2888 1 11 . 1 1 46 46 GLU N N 46 118.201 118.201 118.224 -0.023 19546 2889 1 11 . 1 1 46 46 GLU HA H 46 4.212 4.212 4.233 -0.021 19546 2890 1 11 . 1 1 46 46 GLU CA C 46 58.717 58.717 57.980 0.737 19546 2891 1 11 . 1 1 46 46 GLU CB C 46 27.031 27.031 29.484 -2.453 19546 2892 1 11 . 1 1 46 46 GLU H H 46 10.804 10.804 8.651 2.153 19546 2893 1 11 . 1 1 47 47 ILE N N 47 122.295 122.295 117.917 4.378 19546 2894 1 11 . 1 1 47 47 ILE HA H 47 3.526 3.526 4.097 -0.571 19546 2895 1 11 . 1 1 47 47 ILE CA C 47 60.756 60.756 62.232 -1.476 19546 2896 1 11 . 1 1 47 47 ILE CB C 47 34.770 34.770 40.119 -5.349 19546 2897 1 11 . 1 1 47 47 ILE H H 47 7.177 7.177 7.545 -0.368 19546 2898 1 11 . 1 1 48 48 TYR N N 48 122.359 122.359 121.989 0.370 19546 2899 1 11 . 1 1 48 48 TYR HA H 48 3.542 3.542 3.832 -0.290 19546 2900 1 11 . 1 1 48 48 TYR CA C 48 62.507 62.507 62.937 -0.430 19546 2901 1 11 . 1 1 48 48 TYR CB C 48 39.069 39.069 38.778 0.291 19546 2902 1 11 . 1 1 48 48 TYR H H 48 7.949 7.949 8.543 -0.594 19546 2903 1 11 . 1 1 49 49 GLN N N 49 115.099 115.099 115.364 -0.265 19546 2904 1 11 . 1 1 49 49 GLN HA H 49 3.821 3.821 4.065 -0.244 19546 2905 1 11 . 1 1 49 49 GLN CA C 49 58.633 58.633 57.756 0.877 19546 2906 1 11 . 1 1 49 49 GLN CB C 49 28.038 28.038 28.782 -0.744 19546 2907 1 11 . 1 1 49 49 GLN H H 49 8.597 8.597 8.134 0.463 19546 2908 1 11 . 1 1 50 50 ARG N N 50 120.635 120.635 117.429 3.206 19546 2909 1 11 . 1 1 50 50 ARG HA H 50 3.938 3.938 4.239 -0.301 19546 2910 1 11 . 1 1 50 50 ARG CA C 50 59.616 59.616 57.741 1.875 19546 2911 1 11 . 1 1 50 50 ARG CB C 50 30.462 30.462 30.667 -0.205 19546 2912 1 11 . 1 1 50 50 ARG H H 50 7.134 7.134 7.492 -0.358 19546 2913 1 11 . 1 1 51 51 ILE N N 51 120.637 120.637 120.390 0.247 19546 2914 1 11 . 1 1 51 51 ILE HA H 51 3.521 3.521 3.712 -0.191 19546 2915 1 11 . 1 1 51 51 ILE CA C 51 65.010 65.010 64.240 0.770 19546 2916 1 11 . 1 1 51 51 ILE CB C 51 37.878 37.878 38.101 -0.223 19546 2917 1 11 . 1 1 51 51 ILE H H 51 7.694 7.694 7.511 0.183 19546 2918 1 11 . 1 1 52 52 GLN N N 52 118.700 118.700 116.661 2.039 19546 2919 1 11 . 1 1 52 52 GLN HA H 52 3.768 3.768 3.987 -0.219 19546 2920 1 11 . 1 1 52 52 GLN CA C 52 57.616 57.616 56.067 1.549 19546 2921 1 11 . 1 1 52 52 GLN CB C 52 28.095 28.095 27.450 0.645 19546 2922 1 11 . 1 1 52 52 GLN H H 52 7.910 7.910 7.567 0.343 19546 2923 1 11 . 1 1 53 53 ALA N N 53 120.010 120.010 120.702 -0.692 19546 2924 1 11 . 1 1 53 53 ALA HA H 53 4.185 4.185 4.186 -0.001 19546 2925 1 11 . 1 1 53 53 ALA CA C 53 53.071 53.071 52.765 0.306 19546 2926 1 11 . 1 1 53 53 ALA CB C 53 18.546 18.546 19.295 -0.749 19546 2927 1 11 . 1 1 53 53 ALA H H 53 7.554 7.554 7.090 0.464 19546 2928 1 11 . 1 1 54 54 GLY N N 54 105.898 105.898 104.687 1.211 19546 2929 1 11 . 1 1 54 54 GLY CA C 54 45.605 45.605 44.833 0.772 19546 2930 1 11 . 1 1 54 54 GLY H H 54 7.692 7.692 7.777 -0.085 19546 2931 1 11 . 1 1 55 55 LEU N N 55 120.793 120.793 117.743 3.050 19546 2932 1 11 . 1 1 55 55 LEU HA H 55 4.352 4.352 5.133 -0.781 19546 2933 1 11 . 1 1 55 55 LEU CA C 55 54.964 54.964 53.627 1.337 19546 2934 1 11 . 1 1 55 55 LEU CB C 55 42.006 42.006 43.034 -1.028 19546 2935 1 11 . 1 1 55 55 LEU H H 55 7.669 7.669 7.760 -0.091 19546 2936 1 11 . 1 1 56 56 THR N N 56 114.129 114.129 109.189 4.940 19546 2937 1 11 . 1 1 56 56 THR HA H 56 4.278 4.278 4.525 -0.247 19546 2938 1 11 . 1 1 56 56 THR CA C 56 61.492 61.492 60.083 1.409 19546 2939 1 11 . 1 1 56 56 THR CB C 56 69.957 69.957 70.840 -0.883 19546 2940 1 11 . 1 1 56 56 THR H H 56 7.928 7.928 7.783 0.145 19546 2941 1 11 . 1 1 57 57 ALA N N 57 127.280 127.280 123.948 3.332 19546 2942 1 11 . 1 1 57 57 ALA HA H 57 4.178 4.178 4.359 -0.181 19546 2943 1 11 . 1 1 57 57 ALA CA C 57 50.568 50.568 51.241 -0.673 19546 2944 1 11 . 1 1 57 57 ALA CB C 57 17.738 17.738 18.218 -0.480 19546 2945 1 11 . 1 1 57 57 ALA H H 57 8.110 8.110 8.316 -0.206 19546 2946 1 11 . 1 1 58 58 PRO HA H 58 4.279 4.279 4.572 -0.293 19546 2947 1 11 . 1 1 58 58 PRO CA C 58 63.266 63.266 62.072 1.194 19546 2948 1 11 . 1 1 58 58 PRO CB C 58 31.983 31.983 32.499 -0.516 19546 2949 1 12 . 1 1 2 2 LEU N N 2 124.364 124.364 125.538 -1.174 19546 2950 1 12 . 1 1 2 2 LEU HA H 2 4.547 4.547 4.808 -0.261 19546 2951 1 12 . 1 1 2 2 LEU CA C 2 54.353 54.353 54.383 -0.030 19546 2952 1 12 . 1 1 2 2 LEU CB C 2 42.514 42.514 42.714 -0.200 19546 2953 1 12 . 1 1 2 2 LEU H H 2 8.494 8.494 8.370 0.124 19546 2954 1 12 . 1 1 3 3 ILE N N 3 130.774 130.774 123.436 7.338 19546 2955 1 12 . 1 1 3 3 ILE HA H 3 5.071 5.071 4.470 0.601 19546 2956 1 12 . 1 1 3 3 ILE CA C 3 60.083 60.083 60.973 -0.890 19546 2957 1 12 . 1 1 3 3 ILE CB C 3 37.710 37.710 39.902 -2.192 19546 2958 1 12 . 1 1 3 3 ILE H H 3 10.676 10.676 8.354 2.322 19546 2959 1 12 . 1 1 4 4 LEU N N 4 122.204 122.204 125.240 -3.036 19546 2960 1 12 . 1 1 4 4 LEU HA H 4 4.535 4.535 4.693 -0.158 19546 2961 1 12 . 1 1 4 4 LEU CA C 4 52.555 52.555 53.808 -1.253 19546 2962 1 12 . 1 1 4 4 LEU CB C 4 47.177 47.177 44.856 2.321 19546 2963 1 12 . 1 1 4 4 LEU H H 4 8.587 8.587 8.281 0.306 19546 2964 1 12 . 1 1 5 5 THR N N 5 119.940 119.940 117.552 2.388 19546 2965 1 12 . 1 1 5 5 THR HA H 5 5.476 5.476 4.768 0.708 19546 2966 1 12 . 1 1 5 5 THR CA C 5 61.923 61.923 61.495 0.429 19546 2967 1 12 . 1 1 5 5 THR CB C 5 68.963 68.963 69.547 -0.584 19546 2968 1 12 . 1 1 5 5 THR H H 5 9.161 9.161 8.265 0.896 19546 2969 1 12 . 1 1 6 6 ARG N N 6 126.862 126.862 121.398 5.464 19546 2970 1 12 . 1 1 6 6 ARG HA H 6 5.023 5.023 5.028 -0.005 19546 2971 1 12 . 1 1 6 6 ARG CA C 6 55.325 55.325 54.762 0.563 19546 2972 1 12 . 1 1 6 6 ARG CB C 6 38.076 38.076 33.744 4.332 19546 2973 1 12 . 1 1 6 6 ARG H H 6 9.619 9.619 8.404 1.215 19546 2974 1 12 . 1 1 7 7 LYS N N 7 123.703 123.703 120.007 3.696 19546 2975 1 12 . 1 1 7 7 LYS HA H 7 5.069 5.069 4.608 0.461 19546 2976 1 12 . 1 1 7 7 LYS CA C 7 54.427 54.427 54.456 -0.029 19546 2977 1 12 . 1 1 7 7 LYS CB C 7 34.217 34.217 34.216 0.001 19546 2978 1 12 . 1 1 7 7 LYS H H 7 9.450 9.450 9.157 0.293 19546 2979 1 12 . 1 1 8 8 VAL N N 8 118.617 118.617 120.935 -2.318 19546 2980 1 12 . 1 1 8 8 VAL HA H 8 3.315 3.315 3.773 -0.458 19546 2981 1 12 . 1 1 8 8 VAL CA C 8 66.050 66.050 64.499 1.551 19546 2982 1 12 . 1 1 8 8 VAL CB C 8 31.491 31.491 29.926 1.565 19546 2983 1 12 . 1 1 8 8 VAL H H 8 7.741 7.741 8.450 -0.709 19546 2984 1 12 . 1 1 9 9 GLY N N 9 116.069 116.069 116.368 -0.299 19546 2985 1 12 . 1 1 9 9 GLY CA C 9 44.524 44.524 44.774 -0.250 19546 2986 1 12 . 1 1 9 9 GLY H H 9 9.269 9.269 8.832 0.437 19546 2987 1 12 . 1 1 10 10 GLU N N 10 119.364 119.364 119.927 -0.563 19546 2988 1 12 . 1 1 10 10 GLU HA H 10 4.891 4.891 4.823 0.068 19546 2989 1 12 . 1 1 10 10 GLU CA C 10 55.788 55.788 54.445 1.343 19546 2990 1 12 . 1 1 10 10 GLU CB C 10 32.873 32.873 32.400 0.473 19546 2991 1 12 . 1 1 10 10 GLU H H 10 8.426 8.426 7.952 0.474 19546 2992 1 12 . 1 1 11 11 SER N N 11 112.510 112.510 113.411 -0.901 19546 2993 1 12 . 1 1 11 11 SER HA H 11 5.882 5.882 5.269 0.613 19546 2994 1 12 . 1 1 11 11 SER CA C 11 57.997 57.997 57.186 0.811 19546 2995 1 12 . 1 1 11 11 SER CB C 11 66.884 66.884 66.368 0.516 19546 2996 1 12 . 1 1 11 11 SER H H 11 8.672 8.672 8.352 0.320 19546 2997 1 12 . 1 1 12 12 ILE N N 12 124.592 124.592 119.678 4.914 19546 2998 1 12 . 1 1 12 12 ILE HA H 12 4.365 4.365 4.593 -0.228 19546 2999 1 12 . 1 1 12 12 ILE CA C 12 59.814 59.814 59.266 0.548 19546 3000 1 12 . 1 1 12 12 ILE CB C 12 42.616 42.616 42.465 0.151 19546 3001 1 12 . 1 1 12 12 ILE H H 12 9.265 9.265 8.902 0.363 19546 3002 1 12 . 1 1 13 13 ASN N N 13 126.127 126.127 121.473 4.654 19546 3003 1 12 . 1 1 13 13 ASN HA H 13 4.947 4.947 5.229 -0.282 19546 3004 1 12 . 1 1 13 13 ASN CA C 13 53.571 53.571 52.273 1.298 19546 3005 1 12 . 1 1 13 13 ASN CB C 13 41.491 41.491 41.697 -0.206 19546 3006 1 12 . 1 1 13 13 ASN H H 13 9.318 9.318 8.383 0.935 19546 3007 1 12 . 1 1 14 14 ILE N N 14 123.984 123.984 122.856 1.128 19546 3008 1 12 . 1 1 14 14 ILE HA H 14 4.475 4.475 4.460 0.015 19546 3009 1 12 . 1 1 14 14 ILE CA C 14 60.582 60.582 60.752 -0.170 19546 3010 1 12 . 1 1 14 14 ILE CB C 14 38.573 38.573 41.587 -3.014 19546 3011 1 12 . 1 1 14 14 ILE H H 14 8.392 8.392 8.593 -0.201 19546 3012 1 12 . 1 1 15 15 GLY N N 15 115.533 115.533 113.272 2.261 19546 3013 1 12 . 1 1 15 15 GLY CA C 15 45.893 45.893 46.118 -0.225 19546 3014 1 12 . 1 1 15 15 GLY H H 15 9.148 9.148 8.630 0.518 19546 3015 1 12 . 1 1 16 16 ASP N N 16 121.039 121.039 122.758 -1.719 19546 3016 1 12 . 1 1 16 16 ASP HA H 16 4.969 4.969 4.734 0.235 19546 3017 1 12 . 1 1 16 16 ASP CA C 16 55.256 55.256 54.326 0.930 19546 3018 1 12 . 1 1 16 16 ASP CB C 16 42.342 42.342 41.748 0.594 19546 3019 1 12 . 1 1 16 16 ASP H H 16 8.809 8.809 8.395 0.414 19546 3020 1 12 . 1 1 17 17 ASP N N 17 115.538 115.538 119.877 -4.339 19546 3021 1 12 . 1 1 17 17 ASP HA H 17 4.749 4.749 4.851 -0.102 19546 3022 1 12 . 1 1 17 17 ASP CA C 17 54.134 54.134 54.103 0.031 19546 3023 1 12 . 1 1 17 17 ASP CB C 17 42.578 42.578 43.850 -1.272 19546 3024 1 12 . 1 1 17 17 ASP H H 17 8.140 8.140 7.951 0.189 19546 3025 1 12 . 1 1 18 18 ILE N N 18 118.702 118.702 120.263 -1.561 19546 3026 1 12 . 1 1 18 18 ILE HA H 18 5.239 5.239 4.855 0.384 19546 3027 1 12 . 1 1 18 18 ILE CA C 18 60.037 60.037 60.491 -0.454 19546 3028 1 12 . 1 1 18 18 ILE CB C 18 39.755 39.755 41.876 -2.121 19546 3029 1 12 . 1 1 18 18 ILE H H 18 7.183 7.183 7.671 -0.488 19546 3030 1 12 . 1 1 19 19 THR N N 19 122.806 122.806 122.327 0.479 19546 3031 1 12 . 1 1 19 19 THR HA H 19 5.110 5.110 4.979 0.131 19546 3032 1 12 . 1 1 19 19 THR CA C 19 60.845 60.845 61.690 -0.845 19546 3033 1 12 . 1 1 19 19 THR CB C 19 71.703 71.703 72.156 -0.453 19546 3034 1 12 . 1 1 19 19 THR H H 19 8.993 8.993 8.195 0.798 19546 3035 1 12 . 1 1 20 20 ILE N N 20 123.302 123.302 122.536 0.766 19546 3036 1 12 . 1 1 20 20 ILE HA H 20 4.891 4.891 4.994 -0.103 19546 3037 1 12 . 1 1 20 20 ILE CA C 20 58.946 58.946 59.049 -0.103 19546 3038 1 12 . 1 1 20 20 ILE CB C 20 40.382 40.382 41.794 -1.412 19546 3039 1 12 . 1 1 20 20 ILE H H 20 8.918 8.918 9.149 -0.231 19546 3040 1 12 . 1 1 21 21 THR N N 21 123.751 123.751 119.091 4.660 19546 3041 1 12 . 1 1 21 21 THR HA H 21 4.837 4.837 5.011 -0.174 19546 3042 1 12 . 1 1 21 21 THR CA C 21 61.523 61.523 61.522 0.001 19546 3043 1 12 . 1 1 21 21 THR CB C 21 71.939 71.939 72.621 -0.682 19546 3044 1 12 . 1 1 21 21 THR H H 21 9.398 9.398 8.796 0.602 19546 3045 1 12 . 1 1 22 22 ILE N N 22 125.736 125.736 126.616 -0.880 19546 3046 1 12 . 1 1 22 22 ILE HA H 22 4.119 4.119 4.526 -0.407 19546 3047 1 12 . 1 1 22 22 ILE CA C 22 59.111 59.111 58.631 0.480 19546 3048 1 12 . 1 1 22 22 ILE CB C 22 33.929 33.929 38.172 -4.243 19546 3049 1 12 . 1 1 22 22 ILE H H 22 8.053 8.053 8.412 -0.359 19546 3050 1 12 . 1 1 23 23 LEU N N 23 129.499 129.499 128.987 0.512 19546 3051 1 12 . 1 1 23 23 LEU HA H 23 4.529 4.529 4.340 0.189 19546 3052 1 12 . 1 1 23 23 LEU CA C 23 55.574 55.574 56.035 -0.461 19546 3053 1 12 . 1 1 23 23 LEU CB C 23 41.923 41.923 42.010 -0.087 19546 3054 1 12 . 1 1 23 23 LEU H H 23 8.890 8.890 8.404 0.486 19546 3055 1 12 . 1 1 24 24 GLY N N 24 104.858 104.858 103.141 1.717 19546 3056 1 12 . 1 1 24 24 GLY CA C 24 46.001 46.001 45.317 0.684 19546 3057 1 12 . 1 1 24 24 GLY H H 24 7.565 7.565 7.791 -0.226 19546 3058 1 12 . 1 1 25 25 VAL N N 25 120.794 120.794 119.585 1.209 19546 3059 1 12 . 1 1 25 25 VAL HA H 25 4.670 4.670 4.588 0.082 19546 3060 1 12 . 1 1 25 25 VAL CA C 25 61.459 61.459 60.166 1.293 19546 3061 1 12 . 1 1 25 25 VAL CB C 25 35.692 35.692 34.926 0.766 19546 3062 1 12 . 1 1 25 25 VAL H H 25 8.477 8.477 8.346 0.131 19546 3063 1 12 . 1 1 26 26 SER N N 26 122.022 122.022 122.704 -0.682 19546 3064 1 12 . 1 1 26 26 SER HA H 26 4.691 4.691 4.678 0.013 19546 3065 1 12 . 1 1 26 26 SER CA C 26 56.322 56.322 58.001 -1.679 19546 3066 1 12 . 1 1 26 26 SER CB C 26 63.731 63.731 65.675 -1.944 19546 3067 1 12 . 1 1 26 26 SER H H 26 8.619 8.619 8.645 -0.026 19546 3068 1 12 . 1 1 27 27 GLY N N 27 118.775 118.775 114.393 4.382 19546 3069 1 12 . 1 1 27 27 GLY CA C 27 47.626 47.626 45.897 1.730 19546 3070 1 12 . 1 1 27 27 GLY H H 27 8.969 8.969 8.683 0.286 19546 3071 1 12 . 1 1 28 28 GLN N N 28 124.390 124.390 122.874 1.516 19546 3072 1 12 . 1 1 28 28 GLN HA H 28 4.324 4.324 4.256 0.068 19546 3073 1 12 . 1 1 28 28 GLN CA C 28 54.980 54.980 56.345 -1.365 19546 3074 1 12 . 1 1 28 28 GLN CB C 28 29.553 29.553 28.890 0.663 19546 3075 1 12 . 1 1 28 28 GLN H H 28 8.761 8.761 8.751 0.010 19546 3076 1 12 . 1 1 29 29 GLN N N 29 116.885 116.885 118.138 -1.253 19546 3077 1 12 . 1 1 29 29 GLN HA H 29 4.651 4.651 4.698 -0.047 19546 3078 1 12 . 1 1 29 29 GLN CA C 29 55.364 55.364 54.564 0.800 19546 3079 1 12 . 1 1 29 29 GLN CB C 29 31.289 31.289 32.880 -1.591 19546 3080 1 12 . 1 1 29 29 GLN H H 29 8.307 8.307 7.964 0.343 19546 3081 1 12 . 1 1 30 30 VAL N N 30 123.399 123.399 119.679 3.720 19546 3082 1 12 . 1 1 30 30 VAL HA H 30 4.602 4.602 4.279 0.323 19546 3083 1 12 . 1 1 30 30 VAL CA C 30 60.710 60.710 61.705 -0.994 19546 3084 1 12 . 1 1 30 30 VAL CB C 30 34.560 34.560 35.607 -1.047 19546 3085 1 12 . 1 1 30 30 VAL H H 30 9.103 9.103 8.449 0.654 19546 3086 1 12 . 1 1 31 31 ARG N N 31 128.722 128.722 127.105 1.617 19546 3087 1 12 . 1 1 31 31 ARG HA H 31 4.659 4.659 4.871 -0.212 19546 3088 1 12 . 1 1 31 31 ARG CA C 31 55.755 55.755 54.113 1.642 19546 3089 1 12 . 1 1 31 31 ARG CB C 31 31.871 31.871 31.595 0.276 19546 3090 1 12 . 1 1 31 31 ARG H H 31 8.750 8.750 8.824 -0.074 19546 3091 1 12 . 1 1 32 32 ILE N N 32 127.760 127.760 119.320 8.440 19546 3092 1 12 . 1 1 32 32 ILE HA H 32 4.652 4.652 5.103 -0.451 19546 3093 1 12 . 1 1 32 32 ILE CA C 32 59.738 59.738 58.654 1.083 19546 3094 1 12 . 1 1 32 32 ILE CB C 32 41.082 41.082 42.342 -1.260 19546 3095 1 12 . 1 1 32 32 ILE H H 32 9.069 9.069 8.494 0.575 19546 3096 1 12 . 1 1 33 33 GLY N N 33 112.098 112.098 109.056 3.042 19546 3097 1 12 . 1 1 33 33 GLY CA C 33 44.565 44.565 43.627 0.938 19546 3098 1 12 . 1 1 33 33 GLY H H 33 9.075 9.075 8.611 0.464 19546 3099 1 12 . 1 1 34 34 ILE N N 34 124.988 124.988 119.566 5.422 19546 3100 1 12 . 1 1 34 34 ILE HA H 34 4.863 4.863 4.580 0.283 19546 3101 1 12 . 1 1 34 34 ILE CA C 34 61.053 61.053 60.623 0.430 19546 3102 1 12 . 1 1 34 34 ILE CB C 34 41.339 41.339 42.141 -0.802 19546 3103 1 12 . 1 1 34 34 ILE H H 34 9.654 9.654 8.222 1.432 19546 3104 1 12 . 1 1 35 35 ASN N N 35 129.566 129.566 125.023 4.543 19546 3105 1 12 . 1 1 35 35 ASN HA H 35 5.102 5.102 4.905 0.197 19546 3106 1 12 . 1 1 35 35 ASN CA C 35 52.166 52.166 52.561 -0.395 19546 3107 1 12 . 1 1 35 35 ASN CB C 35 40.191 40.191 39.806 0.386 19546 3108 1 12 . 1 1 35 35 ASN H H 35 9.013 9.013 8.966 0.047 19546 3109 1 12 . 1 1 36 36 ALA N N 36 125.469 125.469 124.602 0.867 19546 3110 1 12 . 1 1 36 36 ALA HA H 36 5.066 5.066 5.346 -0.280 19546 3111 1 12 . 1 1 36 36 ALA CA C 36 49.445 49.445 48.898 0.547 19546 3112 1 12 . 1 1 36 36 ALA CB C 36 19.884 19.884 20.458 -0.574 19546 3113 1 12 . 1 1 36 36 ALA H H 36 8.205 8.205 7.725 0.480 19546 3114 1 12 . 1 1 37 37 PRO HA H 37 4.415 4.415 4.543 -0.128 19546 3115 1 12 . 1 1 37 37 PRO CA C 37 62.961 62.961 62.244 0.717 19546 3116 1 12 . 1 1 37 37 PRO CB C 37 32.374 32.374 33.118 -0.744 19546 3117 1 12 . 1 1 38 38 LYS N N 38 121.088 121.088 120.365 0.723 19546 3118 1 12 . 1 1 38 38 LYS HA H 38 3.794 3.794 4.151 -0.357 19546 3119 1 12 . 1 1 38 38 LYS CA C 38 58.747 58.747 57.822 0.925 19546 3120 1 12 . 1 1 38 38 LYS CB C 38 31.857 31.857 32.066 -0.209 19546 3121 1 12 . 1 1 38 38 LYS H H 38 8.581 8.581 8.564 0.017 19546 3122 1 12 . 1 1 39 39 ASP N N 39 113.879 113.879 117.450 -3.571 19546 3123 1 12 . 1 1 39 39 ASP HA H 39 4.364 4.364 4.537 -0.173 19546 3124 1 12 . 1 1 39 39 ASP CA C 39 54.027 54.027 55.626 -1.599 19546 3125 1 12 . 1 1 39 39 ASP CB C 39 39.749 39.749 41.103 -1.354 19546 3126 1 12 . 1 1 39 39 ASP H H 39 8.164 8.164 8.067 0.097 19546 3127 1 12 . 1 1 40 40 VAL N N 40 122.755 122.755 115.544 7.211 19546 3128 1 12 . 1 1 40 40 VAL HA H 40 3.975 3.975 4.414 -0.439 19546 3129 1 12 . 1 1 40 40 VAL CA C 40 61.937 61.937 59.989 1.948 19546 3130 1 12 . 1 1 40 40 VAL CB C 40 31.941 31.941 34.578 -2.637 19546 3131 1 12 . 1 1 40 40 VAL H H 40 8.053 8.053 7.475 0.578 19546 3132 1 12 . 1 1 41 41 ALA N N 41 133.718 133.718 127.077 6.641 19546 3133 1 12 . 1 1 41 41 ALA HA H 41 4.445 4.445 4.397 0.048 19546 3134 1 12 . 1 1 41 41 ALA CA C 41 52.269 52.269 52.663 -0.395 19546 3135 1 12 . 1 1 41 41 ALA CB C 41 19.053 19.053 19.398 -0.346 19546 3136 1 12 . 1 1 41 41 ALA H H 41 8.927 8.927 8.211 0.716 19546 3137 1 12 . 1 1 42 42 VAL N N 42 125.374 125.374 122.658 2.716 19546 3138 1 12 . 1 1 42 42 VAL HA H 42 4.384 4.384 4.307 0.077 19546 3139 1 12 . 1 1 42 42 VAL CA C 42 60.485 60.485 62.786 -2.301 19546 3140 1 12 . 1 1 42 42 VAL CB C 42 33.636 33.636 33.531 0.105 19546 3141 1 12 . 1 1 42 42 VAL H H 42 7.899 7.899 8.287 -0.388 19546 3142 1 12 . 1 1 43 43 HIS N N 43 118.709 118.709 124.921 -6.212 19546 3143 1 12 . 1 1 43 43 HIS HA H 43 5.505 5.505 5.013 0.492 19546 3144 1 12 . 1 1 43 43 HIS CA C 43 53.758 53.758 54.878 -1.120 19546 3145 1 12 . 1 1 43 43 HIS CB C 43 37.671 37.671 33.053 4.618 19546 3146 1 12 . 1 1 43 43 HIS H H 43 8.580 8.580 8.208 0.372 19546 3147 1 12 . 1 1 44 44 ARG N N 44 121.721 121.721 121.421 0.300 19546 3148 1 12 . 1 1 44 44 ARG HA H 44 3.923 3.923 4.449 -0.526 19546 3149 1 12 . 1 1 44 44 ARG CA C 44 58.392 58.392 55.982 2.410 19546 3150 1 12 . 1 1 44 44 ARG H H 44 8.396 8.396 8.675 -0.279 19546 3151 1 12 . 1 1 45 45 GLU N N 45 126.002 126.002 122.518 3.484 19546 3152 1 12 . 1 1 45 45 GLU HA H 45 4.384 4.384 4.074 0.310 19546 3153 1 12 . 1 1 45 45 GLU CA C 45 59.792 59.792 59.726 0.066 19546 3154 1 12 . 1 1 45 45 GLU CB C 45 29.945 29.945 29.456 0.489 19546 3155 1 12 . 1 1 45 45 GLU H H 45 7.892 7.892 8.989 -1.097 19546 3156 1 12 . 1 1 46 46 GLU N N 46 118.201 118.201 118.428 -0.227 19546 3157 1 12 . 1 1 46 46 GLU HA H 46 4.212 4.212 4.183 0.029 19546 3158 1 12 . 1 1 46 46 GLU CA C 46 58.717 58.717 58.282 0.435 19546 3159 1 12 . 1 1 46 46 GLU CB C 46 27.031 27.031 29.278 -2.247 19546 3160 1 12 . 1 1 46 46 GLU H H 46 10.804 10.804 8.723 2.081 19546 3161 1 12 . 1 1 47 47 ILE N N 47 122.295 122.295 117.406 4.889 19546 3162 1 12 . 1 1 47 47 ILE HA H 47 3.526 3.526 4.101 -0.575 19546 3163 1 12 . 1 1 47 47 ILE CA C 47 60.756 60.756 62.101 -1.345 19546 3164 1 12 . 1 1 47 47 ILE CB C 47 34.770 34.770 40.453 -5.683 19546 3165 1 12 . 1 1 47 47 ILE H H 47 7.177 7.177 7.507 -0.330 19546 3166 1 12 . 1 1 48 48 TYR N N 48 122.359 122.359 122.449 -0.090 19546 3167 1 12 . 1 1 48 48 TYR HA H 48 3.542 3.542 3.922 -0.380 19546 3168 1 12 . 1 1 48 48 TYR CA C 48 62.507 62.507 62.533 -0.026 19546 3169 1 12 . 1 1 48 48 TYR CB C 48 39.069 39.069 38.849 0.220 19546 3170 1 12 . 1 1 48 48 TYR H H 48 7.949 7.949 8.881 -0.932 19546 3171 1 12 . 1 1 49 49 GLN N N 49 115.099 115.099 115.498 -0.399 19546 3172 1 12 . 1 1 49 49 GLN HA H 49 3.821 3.821 4.063 -0.242 19546 3173 1 12 . 1 1 49 49 GLN CA C 49 58.633 58.633 57.755 0.878 19546 3174 1 12 . 1 1 49 49 GLN CB C 49 28.038 28.038 28.802 -0.764 19546 3175 1 12 . 1 1 49 49 GLN H H 49 8.597 8.597 7.864 0.733 19546 3176 1 12 . 1 1 50 50 ARG N N 50 120.635 120.635 117.399 3.236 19546 3177 1 12 . 1 1 50 50 ARG HA H 50 3.938 3.938 4.238 -0.300 19546 3178 1 12 . 1 1 50 50 ARG CA C 50 59.616 59.616 57.741 1.875 19546 3179 1 12 . 1 1 50 50 ARG CB C 50 30.462 30.462 30.680 -0.218 19546 3180 1 12 . 1 1 50 50 ARG H H 50 7.134 7.134 7.494 -0.360 19546 3181 1 12 . 1 1 51 51 ILE N N 51 120.637 120.637 120.332 0.305 19546 3182 1 12 . 1 1 51 51 ILE HA H 51 3.521 3.521 3.726 -0.205 19546 3183 1 12 . 1 1 51 51 ILE CA C 51 65.010 65.010 64.243 0.767 19546 3184 1 12 . 1 1 51 51 ILE CB C 51 37.878 37.878 38.144 -0.266 19546 3185 1 12 . 1 1 51 51 ILE H H 51 7.694 7.694 7.583 0.111 19546 3186 1 12 . 1 1 52 52 GLN N N 52 118.700 118.700 116.857 1.843 19546 3187 1 12 . 1 1 52 52 GLN HA H 52 3.768 3.768 3.977 -0.209 19546 3188 1 12 . 1 1 52 52 GLN CA C 52 57.616 57.616 56.083 1.533 19546 3189 1 12 . 1 1 52 52 GLN CB C 52 28.095 28.095 27.470 0.625 19546 3190 1 12 . 1 1 52 52 GLN H H 52 7.910 7.910 7.651 0.259 19546 3191 1 12 . 1 1 53 53 ALA N N 53 120.010 120.010 120.717 -0.707 19546 3192 1 12 . 1 1 53 53 ALA HA H 53 4.185 4.185 4.170 0.015 19546 3193 1 12 . 1 1 53 53 ALA CA C 53 53.071 53.071 52.803 0.268 19546 3194 1 12 . 1 1 53 53 ALA CB C 53 18.546 18.546 19.241 -0.695 19546 3195 1 12 . 1 1 53 53 ALA H H 53 7.554 7.554 7.130 0.424 19546 3196 1 12 . 1 1 54 54 GLY N N 54 105.898 105.898 104.575 1.323 19546 3197 1 12 . 1 1 54 54 GLY CA C 54 45.605 45.605 44.827 0.778 19546 3198 1 12 . 1 1 54 54 GLY H H 54 7.692 7.692 7.785 -0.093 19546 3199 1 12 . 1 1 55 55 LEU N N 55 120.793 120.793 117.669 3.124 19546 3200 1 12 . 1 1 55 55 LEU HA H 55 4.352 4.352 5.129 -0.777 19546 3201 1 12 . 1 1 55 55 LEU CA C 55 54.964 54.964 53.632 1.332 19546 3202 1 12 . 1 1 55 55 LEU CB C 55 42.006 42.006 43.095 -1.089 19546 3203 1 12 . 1 1 55 55 LEU H H 55 7.669 7.669 7.877 -0.208 19546 3204 1 12 . 1 1 56 56 THR N N 56 114.129 114.129 108.706 5.423 19546 3205 1 12 . 1 1 56 56 THR HA H 56 4.278 4.278 4.485 -0.207 19546 3206 1 12 . 1 1 56 56 THR CA C 56 61.492 61.492 59.917 1.575 19546 3207 1 12 . 1 1 56 56 THR CB C 56 69.957 69.957 70.824 -0.867 19546 3208 1 12 . 1 1 56 56 THR H H 56 7.928 7.928 7.781 0.147 19546 3209 1 12 . 1 1 57 57 ALA N N 57 127.280 127.280 123.202 4.078 19546 3210 1 12 . 1 1 57 57 ALA HA H 57 4.178 4.178 4.325 -0.147 19546 3211 1 12 . 1 1 57 57 ALA CA C 57 50.568 50.568 51.532 -0.964 19546 3212 1 12 . 1 1 57 57 ALA CB C 57 17.738 17.738 18.416 -0.678 19546 3213 1 12 . 1 1 57 57 ALA H H 57 8.110 8.110 8.299 -0.189 19546 3214 1 12 . 1 1 58 58 PRO HA H 58 4.279 4.279 4.368 -0.089 19546 3215 1 12 . 1 1 58 58 PRO CA C 58 63.266 63.266 63.287 -0.021 19546 3216 1 12 . 1 1 58 58 PRO CB C 58 31.983 31.983 32.258 -0.275 19546 3217 1 13 . 1 1 2 2 LEU N N 2 124.364 124.364 125.928 -1.564 19546 3218 1 13 . 1 1 2 2 LEU HA H 2 4.547 4.547 4.738 -0.191 19546 3219 1 13 . 1 1 2 2 LEU CA C 2 54.353 54.353 54.447 -0.094 19546 3220 1 13 . 1 1 2 2 LEU CB C 2 42.514 42.514 42.609 -0.095 19546 3221 1 13 . 1 1 2 2 LEU H H 2 8.494 8.494 8.371 0.123 19546 3222 1 13 . 1 1 3 3 ILE N N 3 130.774 130.774 123.368 7.406 19546 3223 1 13 . 1 1 3 3 ILE HA H 3 5.071 5.071 4.457 0.614 19546 3224 1 13 . 1 1 3 3 ILE CA C 3 60.083 60.083 60.974 -0.890 19546 3225 1 13 . 1 1 3 3 ILE CB C 3 37.710 37.710 39.983 -2.273 19546 3226 1 13 . 1 1 3 3 ILE H H 3 10.676 10.676 8.352 2.324 19546 3227 1 13 . 1 1 4 4 LEU N N 4 122.204 122.204 125.382 -3.178 19546 3228 1 13 . 1 1 4 4 LEU HA H 4 4.535 4.535 4.699 -0.164 19546 3229 1 13 . 1 1 4 4 LEU CA C 4 52.555 52.555 53.754 -1.199 19546 3230 1 13 . 1 1 4 4 LEU CB C 4 47.177 47.177 44.816 2.361 19546 3231 1 13 . 1 1 4 4 LEU H H 4 8.587 8.587 8.270 0.317 19546 3232 1 13 . 1 1 5 5 THR N N 5 119.940 119.940 116.802 3.138 19546 3233 1 13 . 1 1 5 5 THR HA H 5 5.476 5.476 4.745 0.731 19546 3234 1 13 . 1 1 5 5 THR CA C 5 61.923 61.923 61.621 0.302 19546 3235 1 13 . 1 1 5 5 THR CB C 5 68.963 68.963 69.491 -0.528 19546 3236 1 13 . 1 1 5 5 THR H H 5 9.161 9.161 8.194 0.967 19546 3237 1 13 . 1 1 6 6 ARG N N 6 126.862 126.862 123.720 3.142 19546 3238 1 13 . 1 1 6 6 ARG HA H 6 5.023 5.023 4.546 0.477 19546 3239 1 13 . 1 1 6 6 ARG CA C 6 55.325 55.325 55.312 0.013 19546 3240 1 13 . 1 1 6 6 ARG CB C 6 38.076 38.076 33.392 4.684 19546 3241 1 13 . 1 1 6 6 ARG H H 6 9.619 9.619 8.349 1.270 19546 3242 1 13 . 1 1 7 7 LYS N N 7 123.703 123.703 121.032 2.671 19546 3243 1 13 . 1 1 7 7 LYS HA H 7 5.069 5.069 4.589 0.480 19546 3244 1 13 . 1 1 7 7 LYS CA C 7 54.427 54.427 55.074 -0.647 19546 3245 1 13 . 1 1 7 7 LYS CB C 7 34.217 34.217 35.065 -0.848 19546 3246 1 13 . 1 1 7 7 LYS H H 7 9.450 9.450 8.436 1.014 19546 3247 1 13 . 1 1 8 8 VAL N N 8 118.617 118.617 121.997 -3.380 19546 3248 1 13 . 1 1 8 8 VAL HA H 8 3.315 3.315 3.774 -0.459 19546 3249 1 13 . 1 1 8 8 VAL CA C 8 66.050 66.050 63.822 2.228 19546 3250 1 13 . 1 1 8 8 VAL CB C 8 31.491 31.491 30.721 0.769 19546 3251 1 13 . 1 1 8 8 VAL H H 8 7.741 7.741 8.544 -0.803 19546 3252 1 13 . 1 1 9 9 GLY N N 9 116.069 116.069 115.689 0.380 19546 3253 1 13 . 1 1 9 9 GLY CA C 9 44.524 44.524 44.761 -0.237 19546 3254 1 13 . 1 1 9 9 GLY H H 9 9.269 9.269 9.049 0.220 19546 3255 1 13 . 1 1 10 10 GLU N N 10 119.364 119.364 121.091 -1.727 19546 3256 1 13 . 1 1 10 10 GLU HA H 10 4.891 4.891 4.659 0.232 19546 3257 1 13 . 1 1 10 10 GLU CA C 10 55.788 55.788 55.541 0.247 19546 3258 1 13 . 1 1 10 10 GLU CB C 10 32.873 32.873 31.212 1.661 19546 3259 1 13 . 1 1 10 10 GLU H H 10 8.426 8.426 8.351 0.075 19546 3260 1 13 . 1 1 11 11 SER N N 11 112.510 112.510 112.878 -0.368 19546 3261 1 13 . 1 1 11 11 SER HA H 11 5.882 5.882 5.357 0.525 19546 3262 1 13 . 1 1 11 11 SER CA C 11 57.997 57.997 57.253 0.744 19546 3263 1 13 . 1 1 11 11 SER CB C 11 66.884 66.884 66.417 0.467 19546 3264 1 13 . 1 1 11 11 SER H H 11 8.672 8.672 8.304 0.368 19546 3265 1 13 . 1 1 12 12 ILE N N 12 124.592 124.592 120.337 4.255 19546 3266 1 13 . 1 1 12 12 ILE HA H 12 4.365 4.365 4.549 -0.184 19546 3267 1 13 . 1 1 12 12 ILE CA C 12 59.814 59.814 59.252 0.562 19546 3268 1 13 . 1 1 12 12 ILE CB C 12 42.616 42.616 42.343 0.273 19546 3269 1 13 . 1 1 12 12 ILE H H 12 9.265 9.265 8.968 0.297 19546 3270 1 13 . 1 1 13 13 ASN N N 13 126.127 126.127 120.633 5.494 19546 3271 1 13 . 1 1 13 13 ASN HA H 13 4.947 4.947 5.003 -0.056 19546 3272 1 13 . 1 1 13 13 ASN CA C 13 53.571 53.571 52.528 1.043 19546 3273 1 13 . 1 1 13 13 ASN CB C 13 41.491 41.491 42.042 -0.551 19546 3274 1 13 . 1 1 13 13 ASN H H 13 9.318 9.318 8.490 0.828 19546 3275 1 13 . 1 1 14 14 ILE N N 14 123.984 123.984 120.913 3.071 19546 3276 1 13 . 1 1 14 14 ILE HA H 14 4.475 4.475 4.473 0.002 19546 3277 1 13 . 1 1 14 14 ILE CA C 14 60.582 60.582 60.365 0.217 19546 3278 1 13 . 1 1 14 14 ILE CB C 14 38.573 38.573 41.083 -2.510 19546 3279 1 13 . 1 1 14 14 ILE H H 14 8.392 8.392 8.474 -0.082 19546 3280 1 13 . 1 1 15 15 GLY N N 15 115.533 115.533 113.749 1.784 19546 3281 1 13 . 1 1 15 15 GLY CA C 15 45.893 45.893 46.000 -0.107 19546 3282 1 13 . 1 1 15 15 GLY H H 15 9.148 9.148 8.559 0.589 19546 3283 1 13 . 1 1 16 16 ASP N N 16 121.039 121.039 122.775 -1.736 19546 3284 1 13 . 1 1 16 16 ASP HA H 16 4.969 4.969 4.729 0.240 19546 3285 1 13 . 1 1 16 16 ASP CA C 16 55.256 55.256 54.313 0.943 19546 3286 1 13 . 1 1 16 16 ASP CB C 16 42.342 42.342 41.377 0.965 19546 3287 1 13 . 1 1 16 16 ASP H H 16 8.809 8.809 8.378 0.431 19546 3288 1 13 . 1 1 17 17 ASP N N 17 115.538 115.538 119.731 -4.193 19546 3289 1 13 . 1 1 17 17 ASP HA H 17 4.749 4.749 4.862 -0.113 19546 3290 1 13 . 1 1 17 17 ASP CA C 17 54.134 54.134 54.147 -0.013 19546 3291 1 13 . 1 1 17 17 ASP CB C 17 42.578 42.578 43.531 -0.953 19546 3292 1 13 . 1 1 17 17 ASP H H 17 8.140 8.140 8.102 0.038 19546 3293 1 13 . 1 1 18 18 ILE N N 18 118.702 118.702 119.943 -1.241 19546 3294 1 13 . 1 1 18 18 ILE HA H 18 5.239 5.239 4.851 0.388 19546 3295 1 13 . 1 1 18 18 ILE CA C 18 60.037 60.037 60.109 -0.073 19546 3296 1 13 . 1 1 18 18 ILE CB C 18 39.755 39.755 42.155 -2.400 19546 3297 1 13 . 1 1 18 18 ILE H H 18 7.183 7.183 7.726 -0.543 19546 3298 1 13 . 1 1 19 19 THR N N 19 122.806 122.806 121.272 1.534 19546 3299 1 13 . 1 1 19 19 THR HA H 19 5.110 5.110 5.023 0.087 19546 3300 1 13 . 1 1 19 19 THR CA C 19 60.845 60.845 61.551 -0.706 19546 3301 1 13 . 1 1 19 19 THR CB C 19 71.703 71.703 72.214 -0.511 19546 3302 1 13 . 1 1 19 19 THR H H 19 8.993 8.993 8.185 0.808 19546 3303 1 13 . 1 1 20 20 ILE N N 20 123.302 123.302 122.590 0.712 19546 3304 1 13 . 1 1 20 20 ILE HA H 20 4.891 4.891 4.802 0.089 19546 3305 1 13 . 1 1 20 20 ILE CA C 20 58.946 58.946 58.988 -0.042 19546 3306 1 13 . 1 1 20 20 ILE CB C 20 40.382 40.382 41.522 -1.140 19546 3307 1 13 . 1 1 20 20 ILE H H 20 8.918 8.918 9.139 -0.221 19546 3308 1 13 . 1 1 21 21 THR N N 21 123.751 123.751 119.295 4.456 19546 3309 1 13 . 1 1 21 21 THR HA H 21 4.837 4.837 4.926 -0.089 19546 3310 1 13 . 1 1 21 21 THR CA C 21 61.523 61.523 61.888 -0.365 19546 3311 1 13 . 1 1 21 21 THR CB C 21 71.939 71.939 72.389 -0.450 19546 3312 1 13 . 1 1 21 21 THR H H 21 9.398 9.398 8.610 0.788 19546 3313 1 13 . 1 1 22 22 ILE N N 22 125.736 125.736 125.911 -0.175 19546 3314 1 13 . 1 1 22 22 ILE HA H 22 4.119 4.119 4.564 -0.445 19546 3315 1 13 . 1 1 22 22 ILE CA C 22 59.111 59.111 58.506 0.605 19546 3316 1 13 . 1 1 22 22 ILE CB C 22 33.929 33.929 38.463 -4.534 19546 3317 1 13 . 1 1 22 22 ILE H H 22 8.053 8.053 8.240 -0.187 19546 3318 1 13 . 1 1 23 23 LEU N N 23 129.499 129.499 128.943 0.556 19546 3319 1 13 . 1 1 23 23 LEU HA H 23 4.529 4.529 4.352 0.177 19546 3320 1 13 . 1 1 23 23 LEU CA C 23 55.574 55.574 56.033 -0.459 19546 3321 1 13 . 1 1 23 23 LEU CB C 23 41.923 41.923 41.916 0.007 19546 3322 1 13 . 1 1 23 23 LEU H H 23 8.890 8.890 8.438 0.452 19546 3323 1 13 . 1 1 24 24 GLY N N 24 104.858 104.858 103.281 1.577 19546 3324 1 13 . 1 1 24 24 GLY CA C 24 46.001 46.001 45.107 0.894 19546 3325 1 13 . 1 1 24 24 GLY H H 24 7.565 7.565 7.718 -0.153 19546 3326 1 13 . 1 1 25 25 VAL N N 25 120.794 120.794 119.021 1.773 19546 3327 1 13 . 1 1 25 25 VAL HA H 25 4.670 4.670 4.581 0.089 19546 3328 1 13 . 1 1 25 25 VAL CA C 25 61.459 61.459 59.492 1.967 19546 3329 1 13 . 1 1 25 25 VAL CB C 25 35.692 35.692 35.055 0.637 19546 3330 1 13 . 1 1 25 25 VAL H H 25 8.477 8.477 8.265 0.212 19546 3331 1 13 . 1 1 26 26 SER N N 26 122.022 122.022 121.104 0.918 19546 3332 1 13 . 1 1 26 26 SER HA H 26 4.691 4.691 4.642 0.049 19546 3333 1 13 . 1 1 26 26 SER CA C 26 56.322 56.322 58.073 -1.751 19546 3334 1 13 . 1 1 26 26 SER CB C 26 63.731 63.731 64.075 -0.344 19546 3335 1 13 . 1 1 26 26 SER H H 26 8.619 8.619 8.770 -0.151 19546 3336 1 13 . 1 1 27 27 GLY N N 27 118.775 118.775 112.688 6.087 19546 3337 1 13 . 1 1 27 27 GLY CA C 27 47.626 47.626 45.589 2.037 19546 3338 1 13 . 1 1 27 27 GLY H H 27 8.969 8.969 8.173 0.796 19546 3339 1 13 . 1 1 28 28 GLN N N 28 124.390 124.390 124.563 -0.173 19546 3340 1 13 . 1 1 28 28 GLN HA H 28 4.324 4.324 4.232 0.092 19546 3341 1 13 . 1 1 28 28 GLN CA C 28 54.980 54.980 56.613 -1.633 19546 3342 1 13 . 1 1 28 28 GLN CB C 28 29.553 29.553 28.897 0.656 19546 3343 1 13 . 1 1 28 28 GLN H H 28 8.761 8.761 8.650 0.111 19546 3344 1 13 . 1 1 29 29 GLN N N 29 116.885 116.885 118.302 -1.417 19546 3345 1 13 . 1 1 29 29 GLN HA H 29 4.651 4.651 4.582 0.069 19546 3346 1 13 . 1 1 29 29 GLN CA C 29 55.364 55.364 55.049 0.315 19546 3347 1 13 . 1 1 29 29 GLN CB C 29 31.289 31.289 31.760 -0.471 19546 3348 1 13 . 1 1 29 29 GLN H H 29 8.307 8.307 7.574 0.733 19546 3349 1 13 . 1 1 30 30 VAL N N 30 123.399 123.399 119.319 4.080 19546 3350 1 13 . 1 1 30 30 VAL HA H 30 4.602 4.602 4.287 0.315 19546 3351 1 13 . 1 1 30 30 VAL CA C 30 60.710 60.710 61.368 -0.658 19546 3352 1 13 . 1 1 30 30 VAL CB C 30 34.560 34.560 34.946 -0.385 19546 3353 1 13 . 1 1 30 30 VAL H H 30 9.103 9.103 8.304 0.799 19546 3354 1 13 . 1 1 31 31 ARG N N 31 128.722 128.722 126.280 2.442 19546 3355 1 13 . 1 1 31 31 ARG HA H 31 4.659 4.659 4.802 -0.143 19546 3356 1 13 . 1 1 31 31 ARG CA C 31 55.755 55.755 54.337 1.418 19546 3357 1 13 . 1 1 31 31 ARG CB C 31 31.871 31.871 31.377 0.494 19546 3358 1 13 . 1 1 31 31 ARG H H 31 8.750 8.750 8.478 0.272 19546 3359 1 13 . 1 1 32 32 ILE N N 32 127.760 127.760 119.289 8.471 19546 3360 1 13 . 1 1 32 32 ILE HA H 32 4.652 4.652 5.096 -0.444 19546 3361 1 13 . 1 1 32 32 ILE CA C 32 59.738 59.738 58.901 0.837 19546 3362 1 13 . 1 1 32 32 ILE CB C 32 41.082 41.082 42.221 -1.139 19546 3363 1 13 . 1 1 32 32 ILE H H 32 9.069 9.069 8.508 0.561 19546 3364 1 13 . 1 1 33 33 GLY N N 33 112.098 112.098 109.407 2.691 19546 3365 1 13 . 1 1 33 33 GLY CA C 33 44.565 44.565 43.932 0.633 19546 3366 1 13 . 1 1 33 33 GLY H H 33 9.075 9.075 8.554 0.521 19546 3367 1 13 . 1 1 34 34 ILE N N 34 124.988 124.988 118.696 6.292 19546 3368 1 13 . 1 1 34 34 ILE HA H 34 4.863 4.863 4.577 0.286 19546 3369 1 13 . 1 1 34 34 ILE CA C 34 61.053 61.053 60.981 0.072 19546 3370 1 13 . 1 1 34 34 ILE CB C 34 41.339 41.339 42.112 -0.773 19546 3371 1 13 . 1 1 34 34 ILE H H 34 9.654 9.654 8.187 1.467 19546 3372 1 13 . 1 1 35 35 ASN N N 35 129.566 129.566 125.087 4.479 19546 3373 1 13 . 1 1 35 35 ASN HA H 35 5.102 5.102 4.913 0.189 19546 3374 1 13 . 1 1 35 35 ASN CA C 35 52.166 52.166 52.042 0.124 19546 3375 1 13 . 1 1 35 35 ASN CB C 35 40.191 40.191 39.285 0.906 19546 3376 1 13 . 1 1 35 35 ASN H H 35 9.013 9.013 9.108 -0.095 19546 3377 1 13 . 1 1 36 36 ALA N N 36 125.469 125.469 125.481 -0.012 19546 3378 1 13 . 1 1 36 36 ALA HA H 36 5.066 5.066 5.147 -0.081 19546 3379 1 13 . 1 1 36 36 ALA CA C 36 49.445 49.445 48.913 0.532 19546 3380 1 13 . 1 1 36 36 ALA CB C 36 19.884 19.884 20.348 -0.464 19546 3381 1 13 . 1 1 36 36 ALA H H 36 8.205 8.205 7.728 0.477 19546 3382 1 13 . 1 1 37 37 PRO HA H 37 4.415 4.415 4.611 -0.196 19546 3383 1 13 . 1 1 37 37 PRO CA C 37 62.961 62.961 62.382 0.579 19546 3384 1 13 . 1 1 37 37 PRO CB C 37 32.374 32.374 32.753 -0.379 19546 3385 1 13 . 1 1 38 38 LYS N N 38 121.088 121.088 120.266 0.822 19546 3386 1 13 . 1 1 38 38 LYS HA H 38 3.794 3.794 4.130 -0.336 19546 3387 1 13 . 1 1 38 38 LYS CA C 38 58.747 58.747 57.959 0.788 19546 3388 1 13 . 1 1 38 38 LYS CB C 38 31.857 31.857 32.239 -0.382 19546 3389 1 13 . 1 1 38 38 LYS H H 38 8.581 8.581 8.625 -0.044 19546 3390 1 13 . 1 1 39 39 ASP N N 39 113.879 113.879 117.599 -3.720 19546 3391 1 13 . 1 1 39 39 ASP HA H 39 4.364 4.364 4.561 -0.197 19546 3392 1 13 . 1 1 39 39 ASP CA C 39 54.027 54.027 55.342 -1.315 19546 3393 1 13 . 1 1 39 39 ASP CB C 39 39.749 39.749 41.120 -1.371 19546 3394 1 13 . 1 1 39 39 ASP H H 39 8.164 8.164 8.044 0.120 19546 3395 1 13 . 1 1 40 40 VAL N N 40 122.755 122.755 116.167 6.588 19546 3396 1 13 . 1 1 40 40 VAL HA H 40 3.975 3.975 4.447 -0.472 19546 3397 1 13 . 1 1 40 40 VAL CA C 40 61.937 61.937 59.660 2.277 19546 3398 1 13 . 1 1 40 40 VAL CB C 40 31.941 31.941 33.974 -2.033 19546 3399 1 13 . 1 1 40 40 VAL H H 40 8.053 8.053 7.555 0.498 19546 3400 1 13 . 1 1 41 41 ALA N N 41 133.718 133.718 128.064 5.654 19546 3401 1 13 . 1 1 41 41 ALA HA H 41 4.445 4.445 4.347 0.098 19546 3402 1 13 . 1 1 41 41 ALA CA C 41 52.269 52.269 52.413 -0.145 19546 3403 1 13 . 1 1 41 41 ALA CB C 41 19.053 19.053 19.206 -0.153 19546 3404 1 13 . 1 1 41 41 ALA H H 41 8.927 8.927 8.227 0.700 19546 3405 1 13 . 1 1 42 42 VAL N N 42 125.374 125.374 124.489 0.885 19546 3406 1 13 . 1 1 42 42 VAL HA H 42 4.384 4.384 4.386 -0.002 19546 3407 1 13 . 1 1 42 42 VAL CA C 42 60.485 60.485 62.910 -2.425 19546 3408 1 13 . 1 1 42 42 VAL CB C 42 33.636 33.636 33.558 0.078 19546 3409 1 13 . 1 1 42 42 VAL H H 42 7.899 7.899 8.582 -0.683 19546 3410 1 13 . 1 1 43 43 HIS N N 43 118.709 118.709 125.334 -6.625 19546 3411 1 13 . 1 1 43 43 HIS HA H 43 5.505 5.505 5.017 0.488 19546 3412 1 13 . 1 1 43 43 HIS CA C 43 53.758 53.758 55.182 -1.424 19546 3413 1 13 . 1 1 43 43 HIS CB C 43 37.671 37.671 32.078 5.593 19546 3414 1 13 . 1 1 43 43 HIS H H 43 8.580 8.580 8.264 0.316 19546 3415 1 13 . 1 1 44 44 ARG N N 44 121.721 121.721 121.174 0.547 19546 3416 1 13 . 1 1 44 44 ARG HA H 44 3.923 3.923 4.432 -0.509 19546 3417 1 13 . 1 1 44 44 ARG CA C 44 58.392 58.392 55.965 2.427 19546 3418 1 13 . 1 1 44 44 ARG H H 44 8.396 8.396 8.668 -0.272 19546 3419 1 13 . 1 1 45 45 GLU N N 45 126.002 126.002 121.668 4.334 19546 3420 1 13 . 1 1 45 45 GLU HA H 45 4.384 4.384 4.069 0.315 19546 3421 1 13 . 1 1 45 45 GLU CA C 45 59.792 59.792 58.977 0.815 19546 3422 1 13 . 1 1 45 45 GLU CB C 45 29.945 29.945 29.145 0.799 19546 3423 1 13 . 1 1 45 45 GLU H H 45 7.892 7.892 8.979 -1.087 19546 3424 1 13 . 1 1 46 46 GLU N N 46 118.201 118.201 118.644 -0.443 19546 3425 1 13 . 1 1 46 46 GLU HA H 46 4.212 4.212 4.213 -0.001 19546 3426 1 13 . 1 1 46 46 GLU CA C 46 58.717 58.717 58.113 0.604 19546 3427 1 13 . 1 1 46 46 GLU CB C 46 27.031 27.031 29.442 -2.411 19546 3428 1 13 . 1 1 46 46 GLU H H 46 10.804 10.804 8.766 2.038 19546 3429 1 13 . 1 1 47 47 ILE N N 47 122.295 122.295 117.621 4.674 19546 3430 1 13 . 1 1 47 47 ILE HA H 47 3.526 3.526 4.104 -0.578 19546 3431 1 13 . 1 1 47 47 ILE CA C 47 60.756 60.756 62.074 -1.318 19546 3432 1 13 . 1 1 47 47 ILE CB C 47 34.770 34.770 40.503 -5.733 19546 3433 1 13 . 1 1 47 47 ILE H H 47 7.177 7.177 7.436 -0.259 19546 3434 1 13 . 1 1 48 48 TYR N N 48 122.359 122.359 122.041 0.318 19546 3435 1 13 . 1 1 48 48 TYR HA H 48 3.542 3.542 3.854 -0.312 19546 3436 1 13 . 1 1 48 48 TYR CA C 48 62.507 62.507 62.952 -0.445 19546 3437 1 13 . 1 1 48 48 TYR CB C 48 39.069 39.069 38.780 0.289 19546 3438 1 13 . 1 1 48 48 TYR H H 48 7.949 7.949 8.619 -0.670 19546 3439 1 13 . 1 1 49 49 GLN N N 49 115.099 115.099 115.336 -0.237 19546 3440 1 13 . 1 1 49 49 GLN HA H 49 3.821 3.821 4.080 -0.259 19546 3441 1 13 . 1 1 49 49 GLN CA C 49 58.633 58.633 57.660 0.973 19546 3442 1 13 . 1 1 49 49 GLN CB C 49 28.038 28.038 28.808 -0.770 19546 3443 1 13 . 1 1 49 49 GLN H H 49 8.597 8.597 8.135 0.462 19546 3444 1 13 . 1 1 50 50 ARG N N 50 120.635 120.635 117.655 2.980 19546 3445 1 13 . 1 1 50 50 ARG HA H 50 3.938 3.938 4.236 -0.298 19546 3446 1 13 . 1 1 50 50 ARG CA C 50 59.616 59.616 57.751 1.865 19546 3447 1 13 . 1 1 50 50 ARG CB C 50 30.462 30.462 30.676 -0.214 19546 3448 1 13 . 1 1 50 50 ARG H H 50 7.134 7.134 7.499 -0.365 19546 3449 1 13 . 1 1 51 51 ILE N N 51 120.637 120.637 122.053 -1.416 19546 3450 1 13 . 1 1 51 51 ILE HA H 51 3.521 3.521 3.689 -0.168 19546 3451 1 13 . 1 1 51 51 ILE CA C 51 65.010 65.010 64.558 0.452 19546 3452 1 13 . 1 1 51 51 ILE CB C 51 37.878 37.878 37.984 -0.106 19546 3453 1 13 . 1 1 51 51 ILE H H 51 7.694 7.694 7.764 -0.070 19546 3454 1 13 . 1 1 52 52 GLN N N 52 118.700 118.700 116.278 2.422 19546 3455 1 13 . 1 1 52 52 GLN HA H 52 3.768 3.768 3.994 -0.226 19546 3456 1 13 . 1 1 52 52 GLN CA C 52 57.616 57.616 55.972 1.644 19546 3457 1 13 . 1 1 52 52 GLN CB C 52 28.095 28.095 27.309 0.786 19546 3458 1 13 . 1 1 52 52 GLN H H 52 7.910 7.910 7.599 0.311 19546 3459 1 13 . 1 1 53 53 ALA N N 53 120.010 120.010 120.877 -0.867 19546 3460 1 13 . 1 1 53 53 ALA HA H 53 4.185 4.185 4.197 -0.012 19546 3461 1 13 . 1 1 53 53 ALA CA C 53 53.071 53.071 52.810 0.261 19546 3462 1 13 . 1 1 53 53 ALA CB C 53 18.546 18.546 19.395 -0.849 19546 3463 1 13 . 1 1 53 53 ALA H H 53 7.554 7.554 7.030 0.524 19546 3464 1 13 . 1 1 54 54 GLY N N 54 105.898 105.898 104.674 1.224 19546 3465 1 13 . 1 1 54 54 GLY CA C 54 45.605 45.605 44.833 0.772 19546 3466 1 13 . 1 1 54 54 GLY H H 54 7.692 7.692 7.768 -0.076 19546 3467 1 13 . 1 1 55 55 LEU N N 55 120.793 120.793 118.206 2.587 19546 3468 1 13 . 1 1 55 55 LEU HA H 55 4.352 4.352 5.108 -0.756 19546 3469 1 13 . 1 1 55 55 LEU CA C 55 54.964 54.964 53.523 1.441 19546 3470 1 13 . 1 1 55 55 LEU CB C 55 42.006 42.006 42.761 -0.755 19546 3471 1 13 . 1 1 55 55 LEU H H 55 7.669 7.669 7.680 -0.011 19546 3472 1 13 . 1 1 56 56 THR N N 56 114.129 114.129 109.857 4.272 19546 3473 1 13 . 1 1 56 56 THR HA H 56 4.278 4.278 4.493 -0.215 19546 3474 1 13 . 1 1 56 56 THR CA C 56 61.492 61.492 60.359 1.133 19546 3475 1 13 . 1 1 56 56 THR CB C 56 69.957 69.957 70.917 -0.960 19546 3476 1 13 . 1 1 56 56 THR H H 56 7.928 7.928 7.792 0.136 19546 3477 1 13 . 1 1 57 57 ALA N N 57 127.280 127.280 123.899 3.381 19546 3478 1 13 . 1 1 57 57 ALA HA H 57 4.178 4.178 4.418 -0.240 19546 3479 1 13 . 1 1 57 57 ALA CA C 57 50.568 50.568 51.507 -0.938 19546 3480 1 13 . 1 1 57 57 ALA CB C 57 17.738 17.738 18.189 -0.451 19546 3481 1 13 . 1 1 57 57 ALA H H 57 8.110 8.110 8.286 -0.176 19546 3482 1 13 . 1 1 58 58 PRO HA H 58 4.279 4.279 4.521 -0.242 19546 3483 1 13 . 1 1 58 58 PRO CA C 58 63.266 63.266 62.505 0.761 19546 3484 1 13 . 1 1 58 58 PRO CB C 58 31.983 31.983 32.477 -0.495 19546 3485 1 14 . 1 1 2 2 LEU N N 2 124.364 124.364 125.904 -1.540 19546 3486 1 14 . 1 1 2 2 LEU HA H 2 4.547 4.547 4.642 -0.095 19546 3487 1 14 . 1 1 2 2 LEU CA C 2 54.353 54.353 54.542 -0.189 19546 3488 1 14 . 1 1 2 2 LEU CB C 2 42.514 42.514 42.664 -0.150 19546 3489 1 14 . 1 1 2 2 LEU H H 2 8.494 8.494 8.356 0.138 19546 3490 1 14 . 1 1 3 3 ILE N N 3 130.774 130.774 123.207 7.567 19546 3491 1 14 . 1 1 3 3 ILE HA H 3 5.071 5.071 4.418 0.653 19546 3492 1 14 . 1 1 3 3 ILE CA C 3 60.083 60.083 61.060 -0.977 19546 3493 1 14 . 1 1 3 3 ILE CB C 3 37.710 37.710 39.751 -2.041 19546 3494 1 14 . 1 1 3 3 ILE H H 3 10.676 10.676 8.315 2.361 19546 3495 1 14 . 1 1 4 4 LEU N N 4 122.204 122.204 126.885 -4.681 19546 3496 1 14 . 1 1 4 4 LEU HA H 4 4.535 4.535 4.731 -0.196 19546 3497 1 14 . 1 1 4 4 LEU CA C 4 52.555 52.555 53.885 -1.330 19546 3498 1 14 . 1 1 4 4 LEU CB C 4 47.177 47.177 44.844 2.333 19546 3499 1 14 . 1 1 4 4 LEU H H 4 8.587 8.587 8.328 0.259 19546 3500 1 14 . 1 1 5 5 THR N N 5 119.940 119.940 116.964 2.976 19546 3501 1 14 . 1 1 5 5 THR HA H 5 5.476 5.476 4.676 0.800 19546 3502 1 14 . 1 1 5 5 THR CA C 5 61.923 61.923 61.472 0.451 19546 3503 1 14 . 1 1 5 5 THR CB C 5 68.963 68.963 69.457 -0.493 19546 3504 1 14 . 1 1 5 5 THR H H 5 9.161 9.161 8.332 0.829 19546 3505 1 14 . 1 1 6 6 ARG N N 6 126.862 126.862 122.793 4.069 19546 3506 1 14 . 1 1 6 6 ARG HA H 6 5.023 5.023 4.960 0.063 19546 3507 1 14 . 1 1 6 6 ARG CA C 6 55.325 55.325 54.626 0.699 19546 3508 1 14 . 1 1 6 6 ARG CB C 6 38.076 38.076 33.608 4.468 19546 3509 1 14 . 1 1 6 6 ARG H H 6 9.619 9.619 8.442 1.177 19546 3510 1 14 . 1 1 7 7 LYS N N 7 123.703 123.703 120.105 3.598 19546 3511 1 14 . 1 1 7 7 LYS HA H 7 5.069 5.069 4.618 0.451 19546 3512 1 14 . 1 1 7 7 LYS CA C 7 54.427 54.427 54.894 -0.467 19546 3513 1 14 . 1 1 7 7 LYS CB C 7 34.217 34.217 34.956 -0.739 19546 3514 1 14 . 1 1 7 7 LYS H H 7 9.450 9.450 8.677 0.773 19546 3515 1 14 . 1 1 8 8 VAL N N 8 118.617 118.617 120.493 -1.876 19546 3516 1 14 . 1 1 8 8 VAL HA H 8 3.315 3.315 3.723 -0.408 19546 3517 1 14 . 1 1 8 8 VAL CA C 8 66.050 66.050 63.783 2.267 19546 3518 1 14 . 1 1 8 8 VAL CB C 8 31.491 31.491 30.717 0.774 19546 3519 1 14 . 1 1 8 8 VAL H H 8 7.741 7.741 8.449 -0.708 19546 3520 1 14 . 1 1 9 9 GLY N N 9 116.069 116.069 115.403 0.666 19546 3521 1 14 . 1 1 9 9 GLY CA C 9 44.524 44.524 44.785 -0.261 19546 3522 1 14 . 1 1 9 9 GLY H H 9 9.269 9.269 8.952 0.317 19546 3523 1 14 . 1 1 10 10 GLU N N 10 119.364 119.364 119.317 0.047 19546 3524 1 14 . 1 1 10 10 GLU HA H 10 4.891 4.891 4.825 0.066 19546 3525 1 14 . 1 1 10 10 GLU CA C 10 55.788 55.788 54.217 1.571 19546 3526 1 14 . 1 1 10 10 GLU CB C 10 32.873 32.873 32.973 -0.100 19546 3527 1 14 . 1 1 10 10 GLU H H 10 8.426 8.426 7.983 0.443 19546 3528 1 14 . 1 1 11 11 SER N N 11 112.510 112.510 113.636 -1.126 19546 3529 1 14 . 1 1 11 11 SER HA H 11 5.882 5.882 5.461 0.421 19546 3530 1 14 . 1 1 11 11 SER CA C 11 57.997 57.997 57.069 0.928 19546 3531 1 14 . 1 1 11 11 SER CB C 11 66.884 66.884 66.416 0.468 19546 3532 1 14 . 1 1 11 11 SER H H 11 8.672 8.672 8.371 0.301 19546 3533 1 14 . 1 1 12 12 ILE N N 12 124.592 124.592 119.975 4.617 19546 3534 1 14 . 1 1 12 12 ILE HA H 12 4.365 4.365 4.495 -0.130 19546 3535 1 14 . 1 1 12 12 ILE CA C 12 59.814 59.814 59.293 0.521 19546 3536 1 14 . 1 1 12 12 ILE CB C 12 42.616 42.616 42.451 0.165 19546 3537 1 14 . 1 1 12 12 ILE H H 12 9.265 9.265 8.923 0.342 19546 3538 1 14 . 1 1 13 13 ASN N N 13 126.127 126.127 120.860 5.267 19546 3539 1 14 . 1 1 13 13 ASN HA H 13 4.947 4.947 5.279 -0.332 19546 3540 1 14 . 1 1 13 13 ASN CA C 13 53.571 53.571 52.567 1.004 19546 3541 1 14 . 1 1 13 13 ASN CB C 13 41.491 41.491 41.951 -0.460 19546 3542 1 14 . 1 1 13 13 ASN H H 13 9.318 9.318 8.489 0.829 19546 3543 1 14 . 1 1 14 14 ILE N N 14 123.984 123.984 120.868 3.116 19546 3544 1 14 . 1 1 14 14 ILE HA H 14 4.475 4.475 4.474 0.001 19546 3545 1 14 . 1 1 14 14 ILE CA C 14 60.582 60.582 60.592 -0.010 19546 3546 1 14 . 1 1 14 14 ILE CB C 14 38.573 38.573 41.833 -3.260 19546 3547 1 14 . 1 1 14 14 ILE H H 14 8.392 8.392 8.632 -0.240 19546 3548 1 14 . 1 1 15 15 GLY N N 15 115.533 115.533 112.641 2.892 19546 3549 1 14 . 1 1 15 15 GLY CA C 15 45.893 45.893 46.248 -0.355 19546 3550 1 14 . 1 1 15 15 GLY H H 15 9.148 9.148 8.589 0.559 19546 3551 1 14 . 1 1 16 16 ASP N N 16 121.039 121.039 121.167 -0.128 19546 3552 1 14 . 1 1 16 16 ASP HA H 16 4.969 4.969 4.703 0.266 19546 3553 1 14 . 1 1 16 16 ASP CA C 16 55.256 55.256 54.201 1.055 19546 3554 1 14 . 1 1 16 16 ASP CB C 16 42.342 42.342 41.423 0.919 19546 3555 1 14 . 1 1 16 16 ASP H H 16 8.809 8.809 8.328 0.481 19546 3556 1 14 . 1 1 17 17 ASP N N 17 115.538 115.538 120.111 -4.573 19546 3557 1 14 . 1 1 17 17 ASP HA H 17 4.749 4.749 4.873 -0.124 19546 3558 1 14 . 1 1 17 17 ASP CA C 17 54.134 54.134 54.112 0.022 19546 3559 1 14 . 1 1 17 17 ASP CB C 17 42.578 42.578 43.609 -1.031 19546 3560 1 14 . 1 1 17 17 ASP H H 17 8.140 8.140 8.041 0.099 19546 3561 1 14 . 1 1 18 18 ILE N N 18 118.702 118.702 119.919 -1.217 19546 3562 1 14 . 1 1 18 18 ILE HA H 18 5.239 5.239 4.737 0.502 19546 3563 1 14 . 1 1 18 18 ILE CA C 18 60.037 60.037 60.506 -0.469 19546 3564 1 14 . 1 1 18 18 ILE CB C 18 39.755 39.755 41.684 -1.929 19546 3565 1 14 . 1 1 18 18 ILE H H 18 7.183 7.183 7.709 -0.526 19546 3566 1 14 . 1 1 19 19 THR N N 19 122.806 122.806 122.562 0.244 19546 3567 1 14 . 1 1 19 19 THR HA H 19 5.110 5.110 5.025 0.085 19546 3568 1 14 . 1 1 19 19 THR CA C 19 60.845 60.845 61.483 -0.638 19546 3569 1 14 . 1 1 19 19 THR CB C 19 71.703 71.703 71.962 -0.259 19546 3570 1 14 . 1 1 19 19 THR H H 19 8.993 8.993 8.200 0.793 19546 3571 1 14 . 1 1 20 20 ILE N N 20 123.302 123.302 122.516 0.786 19546 3572 1 14 . 1 1 20 20 ILE HA H 20 4.891 4.891 4.950 -0.059 19546 3573 1 14 . 1 1 20 20 ILE CA C 20 58.946 58.946 58.853 0.093 19546 3574 1 14 . 1 1 20 20 ILE CB C 20 40.382 40.382 41.574 -1.192 19546 3575 1 14 . 1 1 20 20 ILE H H 20 8.918 8.918 9.099 -0.181 19546 3576 1 14 . 1 1 21 21 THR N N 21 123.751 123.751 119.083 4.668 19546 3577 1 14 . 1 1 21 21 THR HA H 21 4.837 4.837 4.985 -0.148 19546 3578 1 14 . 1 1 21 21 THR CA C 21 61.523 61.523 61.828 -0.305 19546 3579 1 14 . 1 1 21 21 THR CB C 21 71.939 71.939 72.388 -0.449 19546 3580 1 14 . 1 1 21 21 THR H H 21 9.398 9.398 8.755 0.643 19546 3581 1 14 . 1 1 22 22 ILE N N 22 125.736 125.736 125.382 0.354 19546 3582 1 14 . 1 1 22 22 ILE HA H 22 4.119 4.119 4.539 -0.420 19546 3583 1 14 . 1 1 22 22 ILE CA C 22 59.111 59.111 58.643 0.468 19546 3584 1 14 . 1 1 22 22 ILE CB C 22 33.929 33.929 38.592 -4.663 19546 3585 1 14 . 1 1 22 22 ILE H H 22 8.053 8.053 8.465 -0.412 19546 3586 1 14 . 1 1 23 23 LEU N N 23 129.499 129.499 129.243 0.256 19546 3587 1 14 . 1 1 23 23 LEU HA H 23 4.529 4.529 4.484 0.045 19546 3588 1 14 . 1 1 23 23 LEU CA C 23 55.574 55.574 55.708 -0.133 19546 3589 1 14 . 1 1 23 23 LEU CB C 23 41.923 41.923 42.082 -0.159 19546 3590 1 14 . 1 1 23 23 LEU H H 23 8.890 8.890 8.392 0.498 19546 3591 1 14 . 1 1 24 24 GLY N N 24 104.858 104.858 103.917 0.941 19546 3592 1 14 . 1 1 24 24 GLY CA C 24 46.001 46.001 45.344 0.657 19546 3593 1 14 . 1 1 24 24 GLY H H 24 7.565 7.565 7.616 -0.051 19546 3594 1 14 . 1 1 25 25 VAL N N 25 120.794 120.794 118.491 2.303 19546 3595 1 14 . 1 1 25 25 VAL HA H 25 4.670 4.670 4.510 0.160 19546 3596 1 14 . 1 1 25 25 VAL CA C 25 61.459 61.459 60.036 1.423 19546 3597 1 14 . 1 1 25 25 VAL CB C 25 35.692 35.692 35.701 -0.009 19546 3598 1 14 . 1 1 25 25 VAL H H 25 8.477 8.477 8.280 0.197 19546 3599 1 14 . 1 1 26 26 SER N N 26 122.022 122.022 121.763 0.259 19546 3600 1 14 . 1 1 26 26 SER HA H 26 4.691 4.691 4.772 -0.081 19546 3601 1 14 . 1 1 26 26 SER CA C 26 56.322 56.322 57.877 -1.555 19546 3602 1 14 . 1 1 26 26 SER CB C 26 63.731 63.731 63.655 0.076 19546 3603 1 14 . 1 1 26 26 SER H H 26 8.619 8.619 8.804 -0.185 19546 3604 1 14 . 1 1 27 27 GLY N N 27 118.775 118.775 112.792 5.983 19546 3605 1 14 . 1 1 27 27 GLY CA C 27 47.626 47.626 46.085 1.541 19546 3606 1 14 . 1 1 27 27 GLY H H 27 8.969 8.969 8.436 0.533 19546 3607 1 14 . 1 1 28 28 GLN N N 28 124.390 124.390 125.205 -0.815 19546 3608 1 14 . 1 1 28 28 GLN HA H 28 4.324 4.324 4.188 0.136 19546 3609 1 14 . 1 1 28 28 GLN CA C 28 54.980 54.980 56.658 -1.678 19546 3610 1 14 . 1 1 28 28 GLN CB C 28 29.553 29.553 29.189 0.364 19546 3611 1 14 . 1 1 28 28 GLN H H 28 8.761 8.761 8.715 0.046 19546 3612 1 14 . 1 1 29 29 GLN N N 29 116.885 116.885 117.332 -0.447 19546 3613 1 14 . 1 1 29 29 GLN HA H 29 4.651 4.651 4.692 -0.041 19546 3614 1 14 . 1 1 29 29 GLN CA C 29 55.364 55.364 54.484 0.880 19546 3615 1 14 . 1 1 29 29 GLN CB C 29 31.289 31.289 32.965 -1.676 19546 3616 1 14 . 1 1 29 29 GLN H H 29 8.307 8.307 7.483 0.824 19546 3617 1 14 . 1 1 30 30 VAL N N 30 123.399 123.399 118.309 5.090 19546 3618 1 14 . 1 1 30 30 VAL HA H 30 4.602 4.602 4.283 0.319 19546 3619 1 14 . 1 1 30 30 VAL CA C 30 60.710 60.710 61.578 -0.868 19546 3620 1 14 . 1 1 30 30 VAL CB C 30 34.560 34.560 35.330 -0.770 19546 3621 1 14 . 1 1 30 30 VAL H H 30 9.103 9.103 8.339 0.764 19546 3622 1 14 . 1 1 31 31 ARG N N 31 128.722 128.722 125.649 3.073 19546 3623 1 14 . 1 1 31 31 ARG HA H 31 4.659 4.659 4.867 -0.208 19546 3624 1 14 . 1 1 31 31 ARG CA C 31 55.755 55.755 55.082 0.673 19546 3625 1 14 . 1 1 31 31 ARG CB C 31 31.871 31.871 32.182 -0.311 19546 3626 1 14 . 1 1 31 31 ARG H H 31 8.750 8.750 8.526 0.224 19546 3627 1 14 . 1 1 32 32 ILE N N 32 127.760 127.760 120.146 7.614 19546 3628 1 14 . 1 1 32 32 ILE HA H 32 4.652 4.652 5.078 -0.426 19546 3629 1 14 . 1 1 32 32 ILE CA C 32 59.738 59.738 58.605 1.133 19546 3630 1 14 . 1 1 32 32 ILE CB C 32 41.082 41.082 41.860 -0.778 19546 3631 1 14 . 1 1 32 32 ILE H H 32 9.069 9.069 8.515 0.554 19546 3632 1 14 . 1 1 33 33 GLY N N 33 112.098 112.098 109.618 2.480 19546 3633 1 14 . 1 1 33 33 GLY CA C 33 44.565 44.565 43.755 0.810 19546 3634 1 14 . 1 1 33 33 GLY H H 33 9.075 9.075 8.642 0.433 19546 3635 1 14 . 1 1 34 34 ILE N N 34 124.988 124.988 119.032 5.956 19546 3636 1 14 . 1 1 34 34 ILE HA H 34 4.863 4.863 4.593 0.270 19546 3637 1 14 . 1 1 34 34 ILE CA C 34 61.053 61.053 60.615 0.438 19546 3638 1 14 . 1 1 34 34 ILE CB C 34 41.339 41.339 42.086 -0.747 19546 3639 1 14 . 1 1 34 34 ILE H H 34 9.654 9.654 8.203 1.451 19546 3640 1 14 . 1 1 35 35 ASN N N 35 129.566 129.566 124.659 4.907 19546 3641 1 14 . 1 1 35 35 ASN HA H 35 5.102 5.102 4.891 0.211 19546 3642 1 14 . 1 1 35 35 ASN CA C 35 52.166 52.166 52.493 -0.327 19546 3643 1 14 . 1 1 35 35 ASN CB C 35 40.191 40.191 39.611 0.580 19546 3644 1 14 . 1 1 35 35 ASN H H 35 9.013 9.013 9.055 -0.042 19546 3645 1 14 . 1 1 36 36 ALA N N 36 125.469 125.469 125.286 0.183 19546 3646 1 14 . 1 1 36 36 ALA HA H 36 5.066 5.066 5.293 -0.227 19546 3647 1 14 . 1 1 36 36 ALA CA C 36 49.445 49.445 48.825 0.620 19546 3648 1 14 . 1 1 36 36 ALA CB C 36 19.884 19.884 20.455 -0.571 19546 3649 1 14 . 1 1 36 36 ALA H H 36 8.205 8.205 7.781 0.424 19546 3650 1 14 . 1 1 37 37 PRO HA H 37 4.415 4.415 4.582 -0.167 19546 3651 1 14 . 1 1 37 37 PRO CA C 37 62.961 62.961 62.472 0.488 19546 3652 1 14 . 1 1 37 37 PRO CB C 37 32.374 32.374 32.703 -0.329 19546 3653 1 14 . 1 1 38 38 LYS N N 38 121.088 121.088 120.685 0.403 19546 3654 1 14 . 1 1 38 38 LYS HA H 38 3.794 3.794 4.113 -0.319 19546 3655 1 14 . 1 1 38 38 LYS CA C 38 58.747 58.747 58.056 0.691 19546 3656 1 14 . 1 1 38 38 LYS CB C 38 31.857 31.857 32.237 -0.380 19546 3657 1 14 . 1 1 38 38 LYS H H 38 8.581 8.581 8.638 -0.057 19546 3658 1 14 . 1 1 39 39 ASP N N 39 113.879 113.879 117.441 -3.562 19546 3659 1 14 . 1 1 39 39 ASP HA H 39 4.364 4.364 4.605 -0.241 19546 3660 1 14 . 1 1 39 39 ASP CA C 39 54.027 54.027 55.222 -1.195 19546 3661 1 14 . 1 1 39 39 ASP CB C 39 39.749 39.749 41.245 -1.496 19546 3662 1 14 . 1 1 39 39 ASP H H 39 8.164 8.164 7.997 0.167 19546 3663 1 14 . 1 1 40 40 VAL N N 40 122.755 122.755 116.965 5.790 19546 3664 1 14 . 1 1 40 40 VAL HA H 40 3.975 3.975 4.398 -0.423 19546 3665 1 14 . 1 1 40 40 VAL CA C 40 61.937 61.937 60.134 1.803 19546 3666 1 14 . 1 1 40 40 VAL CB C 40 31.941 31.941 34.029 -2.088 19546 3667 1 14 . 1 1 40 40 VAL H H 40 8.053 8.053 7.509 0.544 19546 3668 1 14 . 1 1 41 41 ALA N N 41 133.718 133.718 127.693 6.025 19546 3669 1 14 . 1 1 41 41 ALA HA H 41 4.445 4.445 4.355 0.090 19546 3670 1 14 . 1 1 41 41 ALA CA C 41 52.269 52.269 52.424 -0.155 19546 3671 1 14 . 1 1 41 41 ALA CB C 41 19.053 19.053 19.210 -0.157 19546 3672 1 14 . 1 1 41 41 ALA H H 41 8.927 8.927 8.158 0.769 19546 3673 1 14 . 1 1 42 42 VAL N N 42 125.374 125.374 124.279 1.095 19546 3674 1 14 . 1 1 42 42 VAL HA H 42 4.384 4.384 4.421 -0.037 19546 3675 1 14 . 1 1 42 42 VAL CA C 42 60.485 60.485 62.895 -2.410 19546 3676 1 14 . 1 1 42 42 VAL CB C 42 33.636 33.636 33.593 0.043 19546 3677 1 14 . 1 1 42 42 VAL H H 42 7.899 7.899 8.633 -0.734 19546 3678 1 14 . 1 1 43 43 HIS N N 43 118.709 118.709 124.886 -6.177 19546 3679 1 14 . 1 1 43 43 HIS HA H 43 5.505 5.505 5.070 0.435 19546 3680 1 14 . 1 1 43 43 HIS CA C 43 53.758 53.758 54.929 -1.171 19546 3681 1 14 . 1 1 43 43 HIS CB C 43 37.671 37.671 33.068 4.603 19546 3682 1 14 . 1 1 43 43 HIS H H 43 8.580 8.580 8.614 -0.034 19546 3683 1 14 . 1 1 44 44 ARG N N 44 121.721 121.721 120.647 1.074 19546 3684 1 14 . 1 1 44 44 ARG HA H 44 3.923 3.923 4.588 -0.665 19546 3685 1 14 . 1 1 44 44 ARG CA C 44 58.392 58.392 54.634 3.758 19546 3686 1 14 . 1 1 44 44 ARG H H 44 8.396 8.396 8.870 -0.474 19546 3687 1 14 . 1 1 45 45 GLU N N 45 126.002 126.002 122.252 3.750 19546 3688 1 14 . 1 1 45 45 GLU HA H 45 4.384 4.384 4.023 0.361 19546 3689 1 14 . 1 1 45 45 GLU CA C 45 59.792 59.792 59.237 0.555 19546 3690 1 14 . 1 1 45 45 GLU CB C 45 29.945 29.945 29.006 0.939 19546 3691 1 14 . 1 1 45 45 GLU H H 45 7.892 7.892 8.836 -0.944 19546 3692 1 14 . 1 1 46 46 GLU N N 46 118.201 118.201 118.755 -0.554 19546 3693 1 14 . 1 1 46 46 GLU HA H 46 4.212 4.212 4.196 0.016 19546 3694 1 14 . 1 1 46 46 GLU CA C 46 58.717 58.717 58.289 0.428 19546 3695 1 14 . 1 1 46 46 GLU CB C 46 27.031 27.031 29.486 -2.455 19546 3696 1 14 . 1 1 46 46 GLU H H 46 10.804 10.804 8.651 2.153 19546 3697 1 14 . 1 1 47 47 ILE N N 47 122.295 122.295 117.569 4.726 19546 3698 1 14 . 1 1 47 47 ILE HA H 47 3.526 3.526 4.107 -0.581 19546 3699 1 14 . 1 1 47 47 ILE CA C 47 60.756 60.756 62.085 -1.329 19546 3700 1 14 . 1 1 47 47 ILE CB C 47 34.770 34.770 40.500 -5.730 19546 3701 1 14 . 1 1 47 47 ILE H H 47 7.177 7.177 7.907 -0.730 19546 3702 1 14 . 1 1 48 48 TYR N N 48 122.359 122.359 121.927 0.432 19546 3703 1 14 . 1 1 48 48 TYR HA H 48 3.542 3.542 3.872 -0.330 19546 3704 1 14 . 1 1 48 48 TYR CA C 48 62.507 62.507 62.836 -0.329 19546 3705 1 14 . 1 1 48 48 TYR CB C 48 39.069 39.069 38.809 0.260 19546 3706 1 14 . 1 1 48 48 TYR H H 48 7.949 7.949 8.682 -0.733 19546 3707 1 14 . 1 1 49 49 GLN N N 49 115.099 115.099 115.406 -0.307 19546 3708 1 14 . 1 1 49 49 GLN HA H 49 3.821 3.821 4.075 -0.254 19546 3709 1 14 . 1 1 49 49 GLN CA C 49 58.633 58.633 57.666 0.967 19546 3710 1 14 . 1 1 49 49 GLN CB C 49 28.038 28.038 28.796 -0.758 19546 3711 1 14 . 1 1 49 49 GLN H H 49 8.597 8.597 8.129 0.468 19546 3712 1 14 . 1 1 50 50 ARG N N 50 120.635 120.635 117.683 2.952 19546 3713 1 14 . 1 1 50 50 ARG HA H 50 3.938 3.938 4.234 -0.296 19546 3714 1 14 . 1 1 50 50 ARG CA C 50 59.616 59.616 57.802 1.814 19546 3715 1 14 . 1 1 50 50 ARG CB C 50 30.462 30.462 30.739 -0.277 19546 3716 1 14 . 1 1 50 50 ARG H H 50 7.134 7.134 7.597 -0.463 19546 3717 1 14 . 1 1 51 51 ILE N N 51 120.637 120.637 122.150 -1.513 19546 3718 1 14 . 1 1 51 51 ILE HA H 51 3.521 3.521 3.669 -0.148 19546 3719 1 14 . 1 1 51 51 ILE CA C 51 65.010 65.010 64.576 0.434 19546 3720 1 14 . 1 1 51 51 ILE CB C 51 37.878 37.878 37.918 -0.040 19546 3721 1 14 . 1 1 51 51 ILE H H 51 7.694 7.694 7.620 0.073 19546 3722 1 14 . 1 1 52 52 GLN N N 52 118.700 118.700 116.170 2.530 19546 3723 1 14 . 1 1 52 52 GLN HA H 52 3.768 3.768 3.996 -0.228 19546 3724 1 14 . 1 1 52 52 GLN CA C 52 57.616 57.616 55.953 1.663 19546 3725 1 14 . 1 1 52 52 GLN CB C 52 28.095 28.095 27.256 0.839 19546 3726 1 14 . 1 1 52 52 GLN H H 52 7.910 7.910 7.569 0.341 19546 3727 1 14 . 1 1 53 53 ALA N N 53 120.010 120.010 120.981 -0.971 19546 3728 1 14 . 1 1 53 53 ALA HA H 53 4.185 4.185 4.202 -0.017 19546 3729 1 14 . 1 1 53 53 ALA CA C 53 53.071 53.071 52.812 0.258 19546 3730 1 14 . 1 1 53 53 ALA CB C 53 18.546 18.546 19.424 -0.878 19546 3731 1 14 . 1 1 53 53 ALA H H 53 7.554 7.554 7.040 0.514 19546 3732 1 14 . 1 1 54 54 GLY N N 54 105.898 105.898 104.700 1.198 19546 3733 1 14 . 1 1 54 54 GLY CA C 54 45.605 45.605 44.833 0.772 19546 3734 1 14 . 1 1 54 54 GLY H H 54 7.692 7.692 7.778 -0.086 19546 3735 1 14 . 1 1 55 55 LEU N N 55 120.793 120.793 117.749 3.044 19546 3736 1 14 . 1 1 55 55 LEU HA H 55 4.352 4.352 5.132 -0.780 19546 3737 1 14 . 1 1 55 55 LEU CA C 55 54.964 54.964 53.644 1.320 19546 3738 1 14 . 1 1 55 55 LEU CB C 55 42.006 42.006 43.027 -1.021 19546 3739 1 14 . 1 1 55 55 LEU H H 55 7.669 7.669 7.732 -0.063 19546 3740 1 14 . 1 1 56 56 THR N N 56 114.129 114.129 109.226 4.903 19546 3741 1 14 . 1 1 56 56 THR HA H 56 4.278 4.278 4.519 -0.241 19546 3742 1 14 . 1 1 56 56 THR CA C 56 61.492 61.492 60.108 1.384 19546 3743 1 14 . 1 1 56 56 THR CB C 56 69.957 69.957 70.800 -0.843 19546 3744 1 14 . 1 1 56 56 THR H H 56 7.928 7.928 7.780 0.148 19546 3745 1 14 . 1 1 57 57 ALA N N 57 127.280 127.280 124.100 3.180 19546 3746 1 14 . 1 1 57 57 ALA HA H 57 4.178 4.178 4.412 -0.234 19546 3747 1 14 . 1 1 57 57 ALA CA C 57 50.568 50.568 51.528 -0.960 19546 3748 1 14 . 1 1 57 57 ALA CB C 57 17.738 17.738 18.309 -0.571 19546 3749 1 14 . 1 1 57 57 ALA H H 57 8.110 8.110 8.309 -0.199 19546 3750 1 14 . 1 1 58 58 PRO HA H 58 4.279 4.279 4.599 -0.320 19546 3751 1 14 . 1 1 58 58 PRO CA C 58 63.266 63.266 62.447 0.819 19546 3752 1 14 . 1 1 58 58 PRO CB C 58 31.983 31.983 32.641 -0.658 19546 3753 1 15 . 1 1 2 2 LEU N N 2 124.364 124.364 125.950 -1.586 19546 3754 1 15 . 1 1 2 2 LEU HA H 2 4.547 4.547 4.755 -0.208 19546 3755 1 15 . 1 1 2 2 LEU CA C 2 54.353 54.353 54.419 -0.066 19546 3756 1 15 . 1 1 2 2 LEU CB C 2 42.514 42.514 42.738 -0.224 19546 3757 1 15 . 1 1 2 2 LEU H H 2 8.494 8.494 8.374 0.120 19546 3758 1 15 . 1 1 3 3 ILE N N 3 130.774 130.774 123.268 7.506 19546 3759 1 15 . 1 1 3 3 ILE HA H 3 5.071 5.071 4.414 0.657 19546 3760 1 15 . 1 1 3 3 ILE CA C 3 60.083 60.083 61.103 -1.020 19546 3761 1 15 . 1 1 3 3 ILE CB C 3 37.710 37.710 39.727 -2.017 19546 3762 1 15 . 1 1 3 3 ILE H H 3 10.676 10.676 8.256 2.420 19546 3763 1 15 . 1 1 4 4 LEU N N 4 122.204 122.204 127.628 -5.424 19546 3764 1 15 . 1 1 4 4 LEU HA H 4 4.535 4.535 4.854 -0.319 19546 3765 1 15 . 1 1 4 4 LEU CA C 4 52.555 52.555 53.942 -1.387 19546 3766 1 15 . 1 1 4 4 LEU CB C 4 47.177 47.177 44.340 2.837 19546 3767 1 15 . 1 1 4 4 LEU H H 4 8.587 8.587 8.352 0.235 19546 3768 1 15 . 1 1 5 5 THR N N 5 119.940 119.940 116.191 3.749 19546 3769 1 15 . 1 1 5 5 THR HA H 5 5.476 5.476 4.918 0.558 19546 3770 1 15 . 1 1 5 5 THR CA C 5 61.923 61.923 61.705 0.218 19546 3771 1 15 . 1 1 5 5 THR CB C 5 68.963 68.963 70.966 -2.003 19546 3772 1 15 . 1 1 5 5 THR H H 5 9.161 9.161 8.173 0.988 19546 3773 1 15 . 1 1 6 6 ARG N N 6 126.862 126.862 123.791 3.071 19546 3774 1 15 . 1 1 6 6 ARG HA H 6 5.023 5.023 4.629 0.394 19546 3775 1 15 . 1 1 6 6 ARG CA C 6 55.325 55.325 55.002 0.323 19546 3776 1 15 . 1 1 6 6 ARG CB C 6 38.076 38.076 33.204 4.872 19546 3777 1 15 . 1 1 6 6 ARG H H 6 9.619 9.619 8.581 1.038 19546 3778 1 15 . 1 1 7 7 LYS N N 7 123.703 123.703 120.798 2.905 19546 3779 1 15 . 1 1 7 7 LYS HA H 7 5.069 5.069 4.629 0.440 19546 3780 1 15 . 1 1 7 7 LYS CA C 7 54.427 54.427 54.943 -0.516 19546 3781 1 15 . 1 1 7 7 LYS CB C 7 34.217 34.217 35.476 -1.259 19546 3782 1 15 . 1 1 7 7 LYS H H 7 9.450 9.450 8.491 0.959 19546 3783 1 15 . 1 1 8 8 VAL N N 8 118.617 118.617 120.737 -2.120 19546 3784 1 15 . 1 1 8 8 VAL HA H 8 3.315 3.315 3.764 -0.449 19546 3785 1 15 . 1 1 8 8 VAL CA C 8 66.050 66.050 63.694 2.356 19546 3786 1 15 . 1 1 8 8 VAL CB C 8 31.491 31.491 30.722 0.769 19546 3787 1 15 . 1 1 8 8 VAL H H 8 7.741 7.741 8.484 -0.743 19546 3788 1 15 . 1 1 9 9 GLY N N 9 116.069 116.069 115.461 0.608 19546 3789 1 15 . 1 1 9 9 GLY CA C 9 44.524 44.524 44.791 -0.268 19546 3790 1 15 . 1 1 9 9 GLY H H 9 9.269 9.269 8.868 0.401 19546 3791 1 15 . 1 1 10 10 GLU N N 10 119.364 119.364 119.537 -0.173 19546 3792 1 15 . 1 1 10 10 GLU HA H 10 4.891 4.891 4.801 0.090 19546 3793 1 15 . 1 1 10 10 GLU CA C 10 55.788 55.788 54.294 1.494 19546 3794 1 15 . 1 1 10 10 GLU CB C 10 32.873 32.873 33.149 -0.276 19546 3795 1 15 . 1 1 10 10 GLU H H 10 8.426 8.426 7.984 0.442 19546 3796 1 15 . 1 1 11 11 SER N N 11 112.510 112.510 113.313 -0.803 19546 3797 1 15 . 1 1 11 11 SER HA H 11 5.882 5.882 5.323 0.559 19546 3798 1 15 . 1 1 11 11 SER CA C 11 57.997 57.997 57.218 0.779 19546 3799 1 15 . 1 1 11 11 SER CB C 11 66.884 66.884 66.038 0.846 19546 3800 1 15 . 1 1 11 11 SER H H 11 8.672 8.672 8.355 0.317 19546 3801 1 15 . 1 1 12 12 ILE N N 12 124.592 124.592 120.102 4.490 19546 3802 1 15 . 1 1 12 12 ILE HA H 12 4.365 4.365 4.598 -0.233 19546 3803 1 15 . 1 1 12 12 ILE CA C 12 59.814 59.814 59.008 0.806 19546 3804 1 15 . 1 1 12 12 ILE CB C 12 42.616 42.616 42.366 0.250 19546 3805 1 15 . 1 1 12 12 ILE H H 12 9.265 9.265 8.857 0.407 19546 3806 1 15 . 1 1 13 13 ASN N N 13 126.127 126.127 121.035 5.092 19546 3807 1 15 . 1 1 13 13 ASN HA H 13 4.947 4.947 5.287 -0.340 19546 3808 1 15 . 1 1 13 13 ASN CA C 13 53.571 53.571 52.003 1.568 19546 3809 1 15 . 1 1 13 13 ASN CB C 13 41.491 41.491 41.557 -0.066 19546 3810 1 15 . 1 1 13 13 ASN H H 13 9.318 9.318 8.381 0.937 19546 3811 1 15 . 1 1 14 14 ILE N N 14 123.984 123.984 122.460 1.524 19546 3812 1 15 . 1 1 14 14 ILE HA H 14 4.475 4.475 4.452 0.023 19546 3813 1 15 . 1 1 14 14 ILE CA C 14 60.582 60.582 60.749 -0.167 19546 3814 1 15 . 1 1 14 14 ILE CB C 14 38.573 38.573 41.803 -3.230 19546 3815 1 15 . 1 1 14 14 ILE H H 14 8.392 8.392 8.577 -0.185 19546 3816 1 15 . 1 1 15 15 GLY N N 15 115.533 115.533 112.689 2.844 19546 3817 1 15 . 1 1 15 15 GLY CA C 15 45.893 45.893 46.104 -0.211 19546 3818 1 15 . 1 1 15 15 GLY H H 15 9.148 9.148 8.634 0.514 19546 3819 1 15 . 1 1 16 16 ASP N N 16 121.039 121.039 122.775 -1.736 19546 3820 1 15 . 1 1 16 16 ASP HA H 16 4.969 4.969 4.731 0.238 19546 3821 1 15 . 1 1 16 16 ASP CA C 16 55.256 55.256 54.347 0.909 19546 3822 1 15 . 1 1 16 16 ASP CB C 16 42.342 42.342 41.801 0.541 19546 3823 1 15 . 1 1 16 16 ASP H H 16 8.809 8.809 8.404 0.405 19546 3824 1 15 . 1 1 17 17 ASP N N 17 115.538 115.538 119.529 -3.991 19546 3825 1 15 . 1 1 17 17 ASP HA H 17 4.749 4.749 4.832 -0.083 19546 3826 1 15 . 1 1 17 17 ASP CA C 17 54.134 54.134 54.073 0.061 19546 3827 1 15 . 1 1 17 17 ASP CB C 17 42.578 42.578 43.974 -1.396 19546 3828 1 15 . 1 1 17 17 ASP H H 17 8.140 8.140 8.002 0.138 19546 3829 1 15 . 1 1 18 18 ILE N N 18 118.702 118.702 121.003 -2.301 19546 3830 1 15 . 1 1 18 18 ILE HA H 18 5.239 5.239 4.623 0.616 19546 3831 1 15 . 1 1 18 18 ILE CA C 18 60.037 60.037 60.400 -0.363 19546 3832 1 15 . 1 1 18 18 ILE CB C 18 39.755 39.755 40.931 -1.176 19546 3833 1 15 . 1 1 18 18 ILE H H 18 7.183 7.183 7.684 -0.501 19546 3834 1 15 . 1 1 19 19 THR N N 19 122.806 122.806 122.279 0.527 19546 3835 1 15 . 1 1 19 19 THR HA H 19 5.110 5.110 4.969 0.141 19546 3836 1 15 . 1 1 19 19 THR CA C 19 60.845 60.845 61.690 -0.845 19546 3837 1 15 . 1 1 19 19 THR CB C 19 71.703 71.703 72.166 -0.463 19546 3838 1 15 . 1 1 19 19 THR H H 19 8.993 8.993 8.004 0.989 19546 3839 1 15 . 1 1 20 20 ILE N N 20 123.302 123.302 122.546 0.756 19546 3840 1 15 . 1 1 20 20 ILE HA H 20 4.891 4.891 4.805 0.086 19546 3841 1 15 . 1 1 20 20 ILE CA C 20 58.946 58.946 59.034 -0.088 19546 3842 1 15 . 1 1 20 20 ILE CB C 20 40.382 40.382 41.399 -1.017 19546 3843 1 15 . 1 1 20 20 ILE H H 20 8.918 8.918 9.124 -0.206 19546 3844 1 15 . 1 1 21 21 THR N N 21 123.751 123.751 119.499 4.252 19546 3845 1 15 . 1 1 21 21 THR HA H 21 4.837 4.837 4.956 -0.119 19546 3846 1 15 . 1 1 21 21 THR CA C 21 61.523 61.523 61.772 -0.249 19546 3847 1 15 . 1 1 21 21 THR CB C 21 71.939 71.939 72.235 -0.296 19546 3848 1 15 . 1 1 21 21 THR H H 21 9.398 9.398 8.685 0.713 19546 3849 1 15 . 1 1 22 22 ILE N N 22 125.736 125.736 126.129 -0.393 19546 3850 1 15 . 1 1 22 22 ILE HA H 22 4.119 4.119 4.555 -0.436 19546 3851 1 15 . 1 1 22 22 ILE CA C 22 59.111 59.111 58.574 0.537 19546 3852 1 15 . 1 1 22 22 ILE CB C 22 33.929 33.929 38.526 -4.597 19546 3853 1 15 . 1 1 22 22 ILE H H 22 8.053 8.053 8.327 -0.274 19546 3854 1 15 . 1 1 23 23 LEU N N 23 129.499 129.499 129.073 0.426 19546 3855 1 15 . 1 1 23 23 LEU HA H 23 4.529 4.529 4.414 0.115 19546 3856 1 15 . 1 1 23 23 LEU CA C 23 55.574 55.574 55.879 -0.305 19546 3857 1 15 . 1 1 23 23 LEU CB C 23 41.923 41.923 42.005 -0.083 19546 3858 1 15 . 1 1 23 23 LEU H H 23 8.890 8.890 8.422 0.468 19546 3859 1 15 . 1 1 24 24 GLY N N 24 104.858 104.858 103.977 0.881 19546 3860 1 15 . 1 1 24 24 GLY CA C 24 46.001 46.001 45.005 0.996 19546 3861 1 15 . 1 1 24 24 GLY H H 24 7.565 7.565 7.648 -0.083 19546 3862 1 15 . 1 1 25 25 VAL N N 25 120.794 120.794 115.151 5.643 19546 3863 1 15 . 1 1 25 25 VAL HA H 25 4.670 4.670 4.675 -0.005 19546 3864 1 15 . 1 1 25 25 VAL CA C 25 61.459 61.459 59.234 2.225 19546 3865 1 15 . 1 1 25 25 VAL CB C 25 35.692 35.692 35.083 0.609 19546 3866 1 15 . 1 1 25 25 VAL H H 25 8.477 8.477 8.333 0.144 19546 3867 1 15 . 1 1 26 26 SER N N 26 122.022 122.022 117.348 4.674 19546 3868 1 15 . 1 1 26 26 SER HA H 26 4.691 4.691 4.599 0.092 19546 3869 1 15 . 1 1 26 26 SER CA C 26 56.322 56.322 57.959 -1.637 19546 3870 1 15 . 1 1 26 26 SER CB C 26 63.731 63.731 63.577 0.154 19546 3871 1 15 . 1 1 26 26 SER H H 26 8.619 8.619 8.797 -0.178 19546 3872 1 15 . 1 1 27 27 GLY N N 27 118.775 118.775 112.026 6.749 19546 3873 1 15 . 1 1 27 27 GLY CA C 27 47.626 47.626 45.697 1.929 19546 3874 1 15 . 1 1 27 27 GLY H H 27 8.969 8.969 8.158 0.811 19546 3875 1 15 . 1 1 28 28 GLN N N 28 124.390 124.390 124.725 -0.335 19546 3876 1 15 . 1 1 28 28 GLN HA H 28 4.324 4.324 4.236 0.088 19546 3877 1 15 . 1 1 28 28 GLN CA C 28 54.980 54.980 56.489 -1.509 19546 3878 1 15 . 1 1 28 28 GLN CB C 28 29.553 29.553 28.931 0.622 19546 3879 1 15 . 1 1 28 28 GLN H H 28 8.761 8.761 8.628 0.133 19546 3880 1 15 . 1 1 29 29 GLN N N 29 116.885 116.885 118.351 -1.466 19546 3881 1 15 . 1 1 29 29 GLN HA H 29 4.651 4.651 4.570 0.081 19546 3882 1 15 . 1 1 29 29 GLN CA C 29 55.364 55.364 55.105 0.259 19546 3883 1 15 . 1 1 29 29 GLN CB C 29 31.289 31.289 31.495 -0.206 19546 3884 1 15 . 1 1 29 29 GLN H H 29 8.307 8.307 7.492 0.815 19546 3885 1 15 . 1 1 30 30 VAL N N 30 123.399 123.399 119.161 4.238 19546 3886 1 15 . 1 1 30 30 VAL HA H 30 4.602 4.602 4.240 0.362 19546 3887 1 15 . 1 1 30 30 VAL CA C 30 60.710 60.710 61.630 -0.920 19546 3888 1 15 . 1 1 30 30 VAL CB C 30 34.560 34.560 35.288 -0.727 19546 3889 1 15 . 1 1 30 30 VAL H H 30 9.103 9.103 8.362 0.741 19546 3890 1 15 . 1 1 31 31 ARG N N 31 128.722 128.722 126.564 2.158 19546 3891 1 15 . 1 1 31 31 ARG HA H 31 4.659 4.659 4.848 -0.189 19546 3892 1 15 . 1 1 31 31 ARG CA C 31 55.755 55.755 54.354 1.401 19546 3893 1 15 . 1 1 31 31 ARG CB C 31 31.871 31.871 31.505 0.366 19546 3894 1 15 . 1 1 31 31 ARG H H 31 8.750 8.750 8.470 0.280 19546 3895 1 15 . 1 1 32 32 ILE N N 32 127.760 127.760 119.247 8.513 19546 3896 1 15 . 1 1 32 32 ILE HA H 32 4.652 4.652 5.033 -0.381 19546 3897 1 15 . 1 1 32 32 ILE CA C 32 59.738 59.738 58.879 0.859 19546 3898 1 15 . 1 1 32 32 ILE CB C 32 41.082 41.082 42.227 -1.145 19546 3899 1 15 . 1 1 32 32 ILE H H 32 9.069 9.069 8.501 0.568 19546 3900 1 15 . 1 1 33 33 GLY N N 33 112.098 112.098 109.457 2.641 19546 3901 1 15 . 1 1 33 33 GLY CA C 33 44.565 44.565 43.785 0.780 19546 3902 1 15 . 1 1 33 33 GLY H H 33 9.075 9.075 8.585 0.490 19546 3903 1 15 . 1 1 34 34 ILE N N 34 124.988 124.988 119.053 5.935 19546 3904 1 15 . 1 1 34 34 ILE HA H 34 4.863 4.863 4.531 0.332 19546 3905 1 15 . 1 1 34 34 ILE CA C 34 61.053 61.053 60.437 0.616 19546 3906 1 15 . 1 1 34 34 ILE CB C 34 41.339 41.339 42.210 -0.871 19546 3907 1 15 . 1 1 34 34 ILE H H 34 9.654 9.654 8.238 1.416 19546 3908 1 15 . 1 1 35 35 ASN N N 35 129.566 129.566 124.266 5.300 19546 3909 1 15 . 1 1 35 35 ASN HA H 35 5.102 5.102 4.886 0.216 19546 3910 1 15 . 1 1 35 35 ASN CA C 35 52.166 52.166 51.682 0.484 19546 3911 1 15 . 1 1 35 35 ASN CB C 35 40.191 40.191 39.917 0.274 19546 3912 1 15 . 1 1 35 35 ASN H H 35 9.013 9.013 8.892 0.121 19546 3913 1 15 . 1 1 36 36 ALA N N 36 125.469 125.469 122.702 2.767 19546 3914 1 15 . 1 1 36 36 ALA HA H 36 5.066 5.066 4.801 0.265 19546 3915 1 15 . 1 1 36 36 ALA CA C 36 49.445 49.445 49.804 -0.359 19546 3916 1 15 . 1 1 36 36 ALA CB C 36 19.884 19.884 19.051 0.833 19546 3917 1 15 . 1 1 36 36 ALA H H 36 8.205 8.205 7.811 0.394 19546 3918 1 15 . 1 1 37 37 PRO HA H 37 4.415 4.415 4.552 -0.137 19546 3919 1 15 . 1 1 37 37 PRO CA C 37 62.961 62.961 62.427 0.534 19546 3920 1 15 . 1 1 37 37 PRO CB C 37 32.374 32.374 32.678 -0.305 19546 3921 1 15 . 1 1 38 38 LYS N N 38 121.088 121.088 120.398 0.690 19546 3922 1 15 . 1 1 38 38 LYS HA H 38 3.794 3.794 4.114 -0.320 19546 3923 1 15 . 1 1 38 38 LYS CA C 38 58.747 58.747 58.077 0.670 19546 3924 1 15 . 1 1 38 38 LYS CB C 38 31.857 31.857 32.213 -0.356 19546 3925 1 15 . 1 1 38 38 LYS H H 38 8.581 8.581 8.636 -0.055 19546 3926 1 15 . 1 1 39 39 ASP N N 39 113.879 113.879 117.508 -3.629 19546 3927 1 15 . 1 1 39 39 ASP HA H 39 4.364 4.364 4.603 -0.239 19546 3928 1 15 . 1 1 39 39 ASP CA C 39 54.027 54.027 55.105 -1.078 19546 3929 1 15 . 1 1 39 39 ASP CB C 39 39.749 39.749 41.216 -1.467 19546 3930 1 15 . 1 1 39 39 ASP H H 39 8.164 8.164 8.020 0.144 19546 3931 1 15 . 1 1 40 40 VAL N N 40 122.755 122.755 115.823 6.932 19546 3932 1 15 . 1 1 40 40 VAL HA H 40 3.975 3.975 4.484 -0.509 19546 3933 1 15 . 1 1 40 40 VAL CA C 40 61.937 61.937 60.340 1.597 19546 3934 1 15 . 1 1 40 40 VAL CB C 40 31.941 31.941 34.457 -2.516 19546 3935 1 15 . 1 1 40 40 VAL H H 40 8.053 8.053 7.548 0.505 19546 3936 1 15 . 1 1 41 41 ALA N N 41 133.718 133.718 127.325 6.393 19546 3937 1 15 . 1 1 41 41 ALA HA H 41 4.445 4.445 4.367 0.078 19546 3938 1 15 . 1 1 41 41 ALA CA C 41 52.269 52.269 52.531 -0.262 19546 3939 1 15 . 1 1 41 41 ALA CB C 41 19.053 19.053 19.103 -0.050 19546 3940 1 15 . 1 1 41 41 ALA H H 41 8.927 8.927 8.308 0.619 19546 3941 1 15 . 1 1 42 42 VAL N N 42 125.374 125.374 124.241 1.133 19546 3942 1 15 . 1 1 42 42 VAL HA H 42 4.384 4.384 4.417 -0.033 19546 3943 1 15 . 1 1 42 42 VAL CA C 42 60.485 60.485 63.167 -2.683 19546 3944 1 15 . 1 1 42 42 VAL CB C 42 33.636 33.636 33.869 -0.233 19546 3945 1 15 . 1 1 42 42 VAL H H 42 7.899 7.899 8.563 -0.664 19546 3946 1 15 . 1 1 43 43 HIS N N 43 118.709 118.709 125.044 -6.335 19546 3947 1 15 . 1 1 43 43 HIS HA H 43 5.505 5.505 5.074 0.431 19546 3948 1 15 . 1 1 43 43 HIS CA C 43 53.758 53.758 55.160 -1.402 19546 3949 1 15 . 1 1 43 43 HIS CB C 43 37.671 37.671 32.017 5.654 19546 3950 1 15 . 1 1 43 43 HIS H H 43 8.580 8.580 8.247 0.333 19546 3951 1 15 . 1 1 44 44 ARG N N 44 121.721 121.721 121.037 0.684 19546 3952 1 15 . 1 1 44 44 ARG HA H 44 3.923 3.923 4.417 -0.494 19546 3953 1 15 . 1 1 44 44 ARG CA C 44 58.392 58.392 56.026 2.366 19546 3954 1 15 . 1 1 44 44 ARG H H 44 8.396 8.396 8.670 -0.274 19546 3955 1 15 . 1 1 45 45 GLU N N 45 126.002 126.002 121.511 4.491 19546 3956 1 15 . 1 1 45 45 GLU HA H 45 4.384 4.384 4.092 0.292 19546 3957 1 15 . 1 1 45 45 GLU CA C 45 59.792 59.792 58.944 0.848 19546 3958 1 15 . 1 1 45 45 GLU CB C 45 29.945 29.945 29.199 0.746 19546 3959 1 15 . 1 1 45 45 GLU H H 45 7.892 7.892 8.977 -1.085 19546 3960 1 15 . 1 1 46 46 GLU N N 46 118.201 118.201 116.880 1.321 19546 3961 1 15 . 1 1 46 46 GLU HA H 46 4.212 4.212 4.221 -0.009 19546 3962 1 15 . 1 1 46 46 GLU CA C 46 58.717 58.717 57.820 0.897 19546 3963 1 15 . 1 1 46 46 GLU CB C 46 27.031 27.031 28.805 -1.774 19546 3964 1 15 . 1 1 46 46 GLU H H 46 10.804 10.804 8.752 2.052 19546 3965 1 15 . 1 1 47 47 ILE N N 47 122.295 122.295 117.361 4.934 19546 3966 1 15 . 1 1 47 47 ILE HA H 47 3.526 3.526 4.216 -0.690 19546 3967 1 15 . 1 1 47 47 ILE CA C 47 60.756 60.756 61.945 -1.189 19546 3968 1 15 . 1 1 47 47 ILE CB C 47 34.770 34.770 40.700 -5.931 19546 3969 1 15 . 1 1 47 47 ILE H H 47 7.177 7.177 7.427 -0.250 19546 3970 1 15 . 1 1 48 48 TYR N N 48 122.359 122.359 121.978 0.381 19546 3971 1 15 . 1 1 48 48 TYR HA H 48 3.542 3.542 3.852 -0.310 19546 3972 1 15 . 1 1 48 48 TYR CA C 48 62.507 62.507 62.908 -0.402 19546 3973 1 15 . 1 1 48 48 TYR CB C 48 39.069 39.069 38.772 0.297 19546 3974 1 15 . 1 1 48 48 TYR H H 48 7.949 7.949 8.537 -0.588 19546 3975 1 15 . 1 1 49 49 GLN N N 49 115.099 115.099 115.358 -0.259 19546 3976 1 15 . 1 1 49 49 GLN HA H 49 3.821 3.821 4.057 -0.236 19546 3977 1 15 . 1 1 49 49 GLN CA C 49 58.633 58.633 57.754 0.879 19546 3978 1 15 . 1 1 49 49 GLN CB C 49 28.038 28.038 28.784 -0.746 19546 3979 1 15 . 1 1 49 49 GLN H H 49 8.597 8.597 8.076 0.521 19546 3980 1 15 . 1 1 50 50 ARG N N 50 120.635 120.635 117.385 3.250 19546 3981 1 15 . 1 1 50 50 ARG HA H 50 3.938 3.938 4.240 -0.302 19546 3982 1 15 . 1 1 50 50 ARG CA C 50 59.616 59.616 57.721 1.895 19546 3983 1 15 . 1 1 50 50 ARG CB C 50 30.462 30.462 30.678 -0.216 19546 3984 1 15 . 1 1 50 50 ARG H H 50 7.134 7.134 7.484 -0.350 19546 3985 1 15 . 1 1 51 51 ILE N N 51 120.637 120.637 120.435 0.202 19546 3986 1 15 . 1 1 51 51 ILE HA H 51 3.521 3.521 3.709 -0.188 19546 3987 1 15 . 1 1 51 51 ILE CA C 51 65.010 65.010 64.271 0.739 19546 3988 1 15 . 1 1 51 51 ILE CB C 51 37.878 37.878 38.105 -0.227 19546 3989 1 15 . 1 1 51 51 ILE H H 51 7.694 7.694 7.552 0.142 19546 3990 1 15 . 1 1 52 52 GLN N N 52 118.700 118.700 116.691 2.009 19546 3991 1 15 . 1 1 52 52 GLN HA H 52 3.768 3.768 3.978 -0.210 19546 3992 1 15 . 1 1 52 52 GLN CA C 52 57.616 57.616 56.094 1.522 19546 3993 1 15 . 1 1 52 52 GLN CB C 52 28.095 28.095 27.411 0.684 19546 3994 1 15 . 1 1 52 52 GLN H H 52 7.910 7.910 7.602 0.308 19546 3995 1 15 . 1 1 53 53 ALA N N 53 120.010 120.010 120.760 -0.750 19546 3996 1 15 . 1 1 53 53 ALA HA H 53 4.185 4.185 4.176 0.009 19546 3997 1 15 . 1 1 53 53 ALA CA C 53 53.071 53.071 52.810 0.261 19546 3998 1 15 . 1 1 53 53 ALA CB C 53 18.546 18.546 19.276 -0.730 19546 3999 1 15 . 1 1 53 53 ALA H H 53 7.554 7.554 7.096 0.458 19546 4000 1 15 . 1 1 54 54 GLY N N 54 105.898 105.898 104.546 1.352 19546 4001 1 15 . 1 1 54 54 GLY CA C 54 45.605 45.605 44.835 0.770 19546 4002 1 15 . 1 1 54 54 GLY H H 54 7.692 7.692 7.785 -0.093 19546 4003 1 15 . 1 1 55 55 LEU N N 55 120.793 120.793 118.155 2.638 19546 4004 1 15 . 1 1 55 55 LEU HA H 55 4.352 4.352 5.108 -0.756 19546 4005 1 15 . 1 1 55 55 LEU CA C 55 54.964 54.964 53.503 1.461 19546 4006 1 15 . 1 1 55 55 LEU CB C 55 42.006 42.006 42.807 -0.801 19546 4007 1 15 . 1 1 55 55 LEU H H 55 7.669 7.669 7.795 -0.126 19546 4008 1 15 . 1 1 56 56 THR N N 56 114.129 114.129 109.509 4.620 19546 4009 1 15 . 1 1 56 56 THR HA H 56 4.278 4.278 4.473 -0.195 19546 4010 1 15 . 1 1 56 56 THR CA C 56 61.492 61.492 60.239 1.253 19546 4011 1 15 . 1 1 56 56 THR CB C 56 69.957 69.957 70.888 -0.931 19546 4012 1 15 . 1 1 56 56 THR H H 56 7.928 7.928 7.792 0.136 19546 4013 1 15 . 1 1 57 57 ALA N N 57 127.280 127.280 122.608 4.672 19546 4014 1 15 . 1 1 57 57 ALA HA H 57 4.178 4.178 4.372 -0.194 19546 4015 1 15 . 1 1 57 57 ALA CA C 57 50.568 50.568 51.136 -0.568 19546 4016 1 15 . 1 1 57 57 ALA CB C 57 17.738 17.738 18.714 -0.976 19546 4017 1 15 . 1 1 57 57 ALA H H 57 8.110 8.110 8.316 -0.206 19546 4018 1 15 . 1 1 58 58 PRO HA H 58 4.279 4.279 4.359 -0.080 19546 4019 1 15 . 1 1 58 58 PRO CA C 58 63.266 63.266 63.459 -0.193 19546 4020 1 15 . 1 1 58 58 PRO CB C 58 31.983 31.983 32.219 -0.236 19546 4021 1 16 . 1 1 2 2 LEU N N 2 124.364 124.364 125.854 -1.490 19546 4022 1 16 . 1 1 2 2 LEU HA H 2 4.547 4.547 4.672 -0.125 19546 4023 1 16 . 1 1 2 2 LEU CA C 2 54.353 54.353 54.519 -0.166 19546 4024 1 16 . 1 1 2 2 LEU CB C 2 42.514 42.514 42.648 -0.134 19546 4025 1 16 . 1 1 2 2 LEU H H 2 8.494 8.494 8.346 0.148 19546 4026 1 16 . 1 1 3 3 ILE N N 3 130.774 130.774 123.002 7.772 19546 4027 1 16 . 1 1 3 3 ILE HA H 3 5.071 5.071 4.444 0.627 19546 4028 1 16 . 1 1 3 3 ILE CA C 3 60.083 60.083 60.952 -0.869 19546 4029 1 16 . 1 1 3 3 ILE CB C 3 37.710 37.710 40.132 -2.422 19546 4030 1 16 . 1 1 3 3 ILE H H 3 10.676 10.676 8.324 2.352 19546 4031 1 16 . 1 1 4 4 LEU N N 4 122.204 122.204 125.221 -3.017 19546 4032 1 16 . 1 1 4 4 LEU HA H 4 4.535 4.535 4.663 -0.128 19546 4033 1 16 . 1 1 4 4 LEU CA C 4 52.555 52.555 53.811 -1.256 19546 4034 1 16 . 1 1 4 4 LEU CB C 4 47.177 47.177 45.075 2.102 19546 4035 1 16 . 1 1 4 4 LEU H H 4 8.587 8.587 8.198 0.389 19546 4036 1 16 . 1 1 5 5 THR N N 5 119.940 119.940 116.927 3.013 19546 4037 1 16 . 1 1 5 5 THR HA H 5 5.476 5.476 4.696 0.780 19546 4038 1 16 . 1 1 5 5 THR CA C 5 61.923 61.923 61.583 0.340 19546 4039 1 16 . 1 1 5 5 THR CB C 5 68.963 68.963 69.692 -0.729 19546 4040 1 16 . 1 1 5 5 THR H H 5 9.161 9.161 8.286 0.875 19546 4041 1 16 . 1 1 6 6 ARG N N 6 126.862 126.862 122.766 4.096 19546 4042 1 16 . 1 1 6 6 ARG HA H 6 5.023 5.023 4.903 0.120 19546 4043 1 16 . 1 1 6 6 ARG CA C 6 55.325 55.325 54.763 0.562 19546 4044 1 16 . 1 1 6 6 ARG CB C 6 38.076 38.076 33.392 4.684 19546 4045 1 16 . 1 1 6 6 ARG H H 6 9.619 9.619 8.454 1.165 19546 4046 1 16 . 1 1 7 7 LYS N N 7 123.703 123.703 120.956 2.747 19546 4047 1 16 . 1 1 7 7 LYS HA H 7 5.069 5.069 4.642 0.427 19546 4048 1 16 . 1 1 7 7 LYS CA C 7 54.427 54.427 55.095 -0.668 19546 4049 1 16 . 1 1 7 7 LYS CB C 7 34.217 34.217 35.127 -0.910 19546 4050 1 16 . 1 1 7 7 LYS H H 7 9.450 9.450 9.031 0.419 19546 4051 1 16 . 1 1 8 8 VAL N N 8 118.617 118.617 119.319 -0.702 19546 4052 1 16 . 1 1 8 8 VAL HA H 8 3.315 3.315 3.972 -0.657 19546 4053 1 16 . 1 1 8 8 VAL CA C 8 66.050 66.050 63.319 2.731 19546 4054 1 16 . 1 1 8 8 VAL CB C 8 31.491 31.491 30.122 1.369 19546 4055 1 16 . 1 1 8 8 VAL H H 8 7.741 7.741 8.388 -0.647 19546 4056 1 16 . 1 1 9 9 GLY N N 9 116.069 116.069 116.567 -0.498 19546 4057 1 16 . 1 1 9 9 GLY CA C 9 44.524 44.524 44.858 -0.334 19546 4058 1 16 . 1 1 9 9 GLY H H 9 9.269 9.269 8.711 0.558 19546 4059 1 16 . 1 1 10 10 GLU N N 10 119.364 119.364 119.960 -0.596 19546 4060 1 16 . 1 1 10 10 GLU HA H 10 4.891 4.891 4.807 0.084 19546 4061 1 16 . 1 1 10 10 GLU CA C 10 55.788 55.788 54.380 1.408 19546 4062 1 16 . 1 1 10 10 GLU CB C 10 32.873 32.873 32.848 0.025 19546 4063 1 16 . 1 1 10 10 GLU H H 10 8.426 8.426 7.955 0.471 19546 4064 1 16 . 1 1 11 11 SER N N 11 112.510 112.510 112.973 -0.463 19546 4065 1 16 . 1 1 11 11 SER HA H 11 5.882 5.882 5.330 0.552 19546 4066 1 16 . 1 1 11 11 SER CA C 11 57.997 57.997 57.146 0.851 19546 4067 1 16 . 1 1 11 11 SER CB C 11 66.884 66.884 66.096 0.788 19546 4068 1 16 . 1 1 11 11 SER H H 11 8.672 8.672 8.300 0.372 19546 4069 1 16 . 1 1 12 12 ILE N N 12 124.592 124.592 119.195 5.397 19546 4070 1 16 . 1 1 12 12 ILE HA H 12 4.365 4.365 4.526 -0.161 19546 4071 1 16 . 1 1 12 12 ILE CA C 12 59.814 59.814 59.288 0.526 19546 4072 1 16 . 1 1 12 12 ILE CB C 12 42.616 42.616 42.336 0.280 19546 4073 1 16 . 1 1 12 12 ILE H H 12 9.265 9.265 8.817 0.448 19546 4074 1 16 . 1 1 13 13 ASN N N 13 126.127 126.127 121.227 4.900 19546 4075 1 16 . 1 1 13 13 ASN HA H 13 4.947 4.947 5.272 -0.325 19546 4076 1 16 . 1 1 13 13 ASN CA C 13 53.571 53.571 52.145 1.426 19546 4077 1 16 . 1 1 13 13 ASN CB C 13 41.491 41.491 41.675 -0.184 19546 4078 1 16 . 1 1 13 13 ASN H H 13 9.318 9.318 8.391 0.927 19546 4079 1 16 . 1 1 14 14 ILE N N 14 123.984 123.984 122.382 1.602 19546 4080 1 16 . 1 1 14 14 ILE HA H 14 4.475 4.475 4.448 0.027 19546 4081 1 16 . 1 1 14 14 ILE CA C 14 60.582 60.582 60.769 -0.187 19546 4082 1 16 . 1 1 14 14 ILE CB C 14 38.573 38.573 41.824 -3.251 19546 4083 1 16 . 1 1 14 14 ILE H H 14 8.392 8.392 8.705 -0.313 19546 4084 1 16 . 1 1 15 15 GLY N N 15 115.533 115.533 112.324 3.209 19546 4085 1 16 . 1 1 15 15 GLY CA C 15 45.893 45.893 46.503 -0.610 19546 4086 1 16 . 1 1 15 15 GLY H H 15 9.148 9.148 8.590 0.558 19546 4087 1 16 . 1 1 16 16 ASP N N 16 121.039 121.039 121.917 -0.878 19546 4088 1 16 . 1 1 16 16 ASP HA H 16 4.969 4.969 4.725 0.244 19546 4089 1 16 . 1 1 16 16 ASP CA C 16 55.256 55.256 54.337 0.919 19546 4090 1 16 . 1 1 16 16 ASP CB C 16 42.342 42.342 41.650 0.692 19546 4091 1 16 . 1 1 16 16 ASP H H 16 8.809 8.809 8.291 0.518 19546 4092 1 16 . 1 1 17 17 ASP N N 17 115.538 115.538 119.162 -3.624 19546 4093 1 16 . 1 1 17 17 ASP HA H 17 4.749 4.749 4.793 -0.044 19546 4094 1 16 . 1 1 17 17 ASP CA C 17 54.134 54.134 54.116 0.018 19546 4095 1 16 . 1 1 17 17 ASP CB C 17 42.578 42.578 43.566 -0.988 19546 4096 1 16 . 1 1 17 17 ASP H H 17 8.140 8.140 7.979 0.161 19546 4097 1 16 . 1 1 18 18 ILE N N 18 118.702 118.702 119.984 -1.282 19546 4098 1 16 . 1 1 18 18 ILE HA H 18 5.239 5.239 4.707 0.532 19546 4099 1 16 . 1 1 18 18 ILE CA C 18 60.037 60.037 60.473 -0.436 19546 4100 1 16 . 1 1 18 18 ILE CB C 18 39.755 39.755 41.819 -2.064 19546 4101 1 16 . 1 1 18 18 ILE H H 18 7.183 7.183 7.655 -0.472 19546 4102 1 16 . 1 1 19 19 THR N N 19 122.806 122.806 122.457 0.349 19546 4103 1 16 . 1 1 19 19 THR HA H 19 5.110 5.110 4.990 0.120 19546 4104 1 16 . 1 1 19 19 THR CA C 19 60.845 60.845 61.738 -0.893 19546 4105 1 16 . 1 1 19 19 THR CB C 19 71.703 71.703 72.021 -0.318 19546 4106 1 16 . 1 1 19 19 THR H H 19 8.993 8.993 8.195 0.798 19546 4107 1 16 . 1 1 20 20 ILE N N 20 123.302 123.302 122.862 0.440 19546 4108 1 16 . 1 1 20 20 ILE HA H 20 4.891 4.891 4.892 -0.001 19546 4109 1 16 . 1 1 20 20 ILE CA C 20 58.946 58.946 59.055 -0.109 19546 4110 1 16 . 1 1 20 20 ILE CB C 20 40.382 40.382 41.846 -1.464 19546 4111 1 16 . 1 1 20 20 ILE H H 20 8.918 8.918 9.075 -0.157 19546 4112 1 16 . 1 1 21 21 THR N N 21 123.751 123.751 118.809 4.942 19546 4113 1 16 . 1 1 21 21 THR HA H 21 4.837 4.837 4.987 -0.150 19546 4114 1 16 . 1 1 21 21 THR CA C 21 61.523 61.523 61.481 0.042 19546 4115 1 16 . 1 1 21 21 THR CB C 21 71.939 71.939 72.534 -0.595 19546 4116 1 16 . 1 1 21 21 THR H H 21 9.398 9.398 8.838 0.560 19546 4117 1 16 . 1 1 22 22 ILE N N 22 125.736 125.736 126.449 -0.713 19546 4118 1 16 . 1 1 22 22 ILE HA H 22 4.119 4.119 4.520 -0.401 19546 4119 1 16 . 1 1 22 22 ILE CA C 22 59.111 59.111 58.590 0.521 19546 4120 1 16 . 1 1 22 22 ILE CB C 22 33.929 33.929 38.285 -4.356 19546 4121 1 16 . 1 1 22 22 ILE H H 22 8.053 8.053 8.410 -0.357 19546 4122 1 16 . 1 1 23 23 LEU N N 23 129.499 129.499 128.738 0.761 19546 4123 1 16 . 1 1 23 23 LEU HA H 23 4.529 4.529 4.262 0.267 19546 4124 1 16 . 1 1 23 23 LEU CA C 23 55.574 55.574 56.248 -0.674 19546 4125 1 16 . 1 1 23 23 LEU CB C 23 41.923 41.923 42.006 -0.083 19546 4126 1 16 . 1 1 23 23 LEU H H 23 8.890 8.890 8.293 0.597 19546 4127 1 16 . 1 1 24 24 GLY N N 24 104.858 104.858 104.051 0.807 19546 4128 1 16 . 1 1 24 24 GLY CA C 24 46.001 46.001 44.883 1.118 19546 4129 1 16 . 1 1 24 24 GLY H H 24 7.565 7.565 7.681 -0.116 19546 4130 1 16 . 1 1 25 25 VAL N N 25 120.794 120.794 119.338 1.456 19546 4131 1 16 . 1 1 25 25 VAL HA H 25 4.670 4.670 4.612 0.058 19546 4132 1 16 . 1 1 25 25 VAL CA C 25 61.459 61.459 59.442 2.017 19546 4133 1 16 . 1 1 25 25 VAL CB C 25 35.692 35.692 34.851 0.841 19546 4134 1 16 . 1 1 25 25 VAL H H 25 8.477 8.477 8.317 0.160 19546 4135 1 16 . 1 1 26 26 SER N N 26 122.022 122.022 121.895 0.127 19546 4136 1 16 . 1 1 26 26 SER HA H 26 4.691 4.691 4.643 0.048 19546 4137 1 16 . 1 1 26 26 SER CA C 26 56.322 56.322 57.869 -1.547 19546 4138 1 16 . 1 1 26 26 SER CB C 26 63.731 63.731 63.830 -0.099 19546 4139 1 16 . 1 1 26 26 SER H H 26 8.619 8.619 8.753 -0.134 19546 4140 1 16 . 1 1 27 27 GLY N N 27 118.775 118.775 112.238 6.537 19546 4141 1 16 . 1 1 27 27 GLY CA C 27 47.626 47.626 45.594 2.032 19546 4142 1 16 . 1 1 27 27 GLY H H 27 8.969 8.969 8.155 0.814 19546 4143 1 16 . 1 1 28 28 GLN N N 28 124.390 124.390 124.497 -0.107 19546 4144 1 16 . 1 1 28 28 GLN HA H 28 4.324 4.324 4.244 0.080 19546 4145 1 16 . 1 1 28 28 GLN CA C 28 54.980 54.980 56.536 -1.556 19546 4146 1 16 . 1 1 28 28 GLN CB C 28 29.553 29.553 28.910 0.643 19546 4147 1 16 . 1 1 28 28 GLN H H 28 8.761 8.761 8.651 0.110 19546 4148 1 16 . 1 1 29 29 GLN N N 29 116.885 116.885 118.278 -1.393 19546 4149 1 16 . 1 1 29 29 GLN HA H 29 4.651 4.651 4.601 0.050 19546 4150 1 16 . 1 1 29 29 GLN CA C 29 55.364 55.364 55.120 0.244 19546 4151 1 16 . 1 1 29 29 GLN CB C 29 31.289 31.289 31.700 -0.411 19546 4152 1 16 . 1 1 29 29 GLN H H 29 8.307 8.307 7.512 0.795 19546 4153 1 16 . 1 1 30 30 VAL N N 30 123.399 123.399 119.454 3.945 19546 4154 1 16 . 1 1 30 30 VAL HA H 30 4.602 4.602 4.311 0.291 19546 4155 1 16 . 1 1 30 30 VAL CA C 30 60.710 60.710 61.178 -0.468 19546 4156 1 16 . 1 1 30 30 VAL CB C 30 34.560 34.560 35.211 -0.651 19546 4157 1 16 . 1 1 30 30 VAL H H 30 9.103 9.103 8.333 0.770 19546 4158 1 16 . 1 1 31 31 ARG N N 31 128.722 128.722 126.186 2.536 19546 4159 1 16 . 1 1 31 31 ARG HA H 31 4.659 4.659 4.823 -0.164 19546 4160 1 16 . 1 1 31 31 ARG CA C 31 55.755 55.755 54.244 1.511 19546 4161 1 16 . 1 1 31 31 ARG CB C 31 31.871 31.871 31.706 0.165 19546 4162 1 16 . 1 1 31 31 ARG H H 31 8.750 8.750 8.693 0.057 19546 4163 1 16 . 1 1 32 32 ILE N N 32 127.760 127.760 119.476 8.284 19546 4164 1 16 . 1 1 32 32 ILE HA H 32 4.652 4.652 5.077 -0.425 19546 4165 1 16 . 1 1 32 32 ILE CA C 32 59.738 59.738 58.788 0.951 19546 4166 1 16 . 1 1 32 32 ILE CB C 32 41.082 41.082 42.144 -1.062 19546 4167 1 16 . 1 1 32 32 ILE H H 32 9.069 9.069 8.552 0.517 19546 4168 1 16 . 1 1 33 33 GLY N N 33 112.098 112.098 109.764 2.334 19546 4169 1 16 . 1 1 33 33 GLY CA C 33 44.565 44.565 43.679 0.886 19546 4170 1 16 . 1 1 33 33 GLY H H 33 9.075 9.075 8.705 0.370 19546 4171 1 16 . 1 1 34 34 ILE N N 34 124.988 124.988 119.066 5.922 19546 4172 1 16 . 1 1 34 34 ILE HA H 34 4.863 4.863 4.535 0.328 19546 4173 1 16 . 1 1 34 34 ILE CA C 34 61.053 61.053 60.699 0.354 19546 4174 1 16 . 1 1 34 34 ILE CB C 34 41.339 41.339 42.220 -0.881 19546 4175 1 16 . 1 1 34 34 ILE H H 34 9.654 9.654 8.210 1.444 19546 4176 1 16 . 1 1 35 35 ASN N N 35 129.566 129.566 124.749 4.817 19546 4177 1 16 . 1 1 35 35 ASN HA H 35 5.102 5.102 4.911 0.191 19546 4178 1 16 . 1 1 35 35 ASN CA C 35 52.166 52.166 52.629 -0.463 19546 4179 1 16 . 1 1 35 35 ASN CB C 35 40.191 40.191 39.831 0.360 19546 4180 1 16 . 1 1 35 35 ASN H H 35 9.013 9.013 9.011 0.002 19546 4181 1 16 . 1 1 36 36 ALA N N 36 125.469 125.469 124.884 0.585 19546 4182 1 16 . 1 1 36 36 ALA HA H 36 5.066 5.066 5.292 -0.226 19546 4183 1 16 . 1 1 36 36 ALA CA C 36 49.445 49.445 48.848 0.597 19546 4184 1 16 . 1 1 36 36 ALA CB C 36 19.884 19.884 20.404 -0.520 19546 4185 1 16 . 1 1 36 36 ALA H H 36 8.205 8.205 7.736 0.469 19546 4186 1 16 . 1 1 37 37 PRO HA H 37 4.415 4.415 4.595 -0.180 19546 4187 1 16 . 1 1 37 37 PRO CA C 37 62.961 62.961 62.429 0.532 19546 4188 1 16 . 1 1 37 37 PRO CB C 37 32.374 32.374 32.730 -0.356 19546 4189 1 16 . 1 1 38 38 LYS N N 38 121.088 121.088 120.574 0.514 19546 4190 1 16 . 1 1 38 38 LYS HA H 38 3.794 3.794 4.108 -0.314 19546 4191 1 16 . 1 1 38 38 LYS CA C 38 58.747 58.747 58.055 0.692 19546 4192 1 16 . 1 1 38 38 LYS CB C 38 31.857 31.857 32.226 -0.369 19546 4193 1 16 . 1 1 38 38 LYS H H 38 8.581 8.581 8.635 -0.054 19546 4194 1 16 . 1 1 39 39 ASP N N 39 113.879 113.879 117.479 -3.600 19546 4195 1 16 . 1 1 39 39 ASP HA H 39 4.364 4.364 4.611 -0.247 19546 4196 1 16 . 1 1 39 39 ASP CA C 39 54.027 54.027 55.018 -0.991 19546 4197 1 16 . 1 1 39 39 ASP CB C 39 39.749 39.749 41.196 -1.447 19546 4198 1 16 . 1 1 39 39 ASP H H 39 8.164 8.164 7.993 0.171 19546 4199 1 16 . 1 1 40 40 VAL N N 40 122.755 122.755 117.106 5.649 19546 4200 1 16 . 1 1 40 40 VAL HA H 40 3.975 3.975 4.439 -0.464 19546 4201 1 16 . 1 1 40 40 VAL CA C 40 61.937 61.937 59.743 2.194 19546 4202 1 16 . 1 1 40 40 VAL CB C 40 31.941 31.941 33.653 -1.712 19546 4203 1 16 . 1 1 40 40 VAL H H 40 8.053 8.053 7.581 0.472 19546 4204 1 16 . 1 1 41 41 ALA N N 41 133.718 133.718 127.667 6.051 19546 4205 1 16 . 1 1 41 41 ALA HA H 41 4.445 4.445 4.332 0.113 19546 4206 1 16 . 1 1 41 41 ALA CA C 41 52.269 52.269 52.386 -0.117 19546 4207 1 16 . 1 1 41 41 ALA CB C 41 19.053 19.053 19.083 -0.030 19546 4208 1 16 . 1 1 41 41 ALA H H 41 8.927 8.927 8.201 0.726 19546 4209 1 16 . 1 1 42 42 VAL N N 42 125.374 125.374 124.253 1.121 19546 4210 1 16 . 1 1 42 42 VAL HA H 42 4.384 4.384 4.464 -0.080 19546 4211 1 16 . 1 1 42 42 VAL CA C 42 60.485 60.485 63.085 -2.600 19546 4212 1 16 . 1 1 42 42 VAL CB C 42 33.636 33.636 33.923 -0.287 19546 4213 1 16 . 1 1 42 42 VAL H H 42 7.899 7.899 8.573 -0.674 19546 4214 1 16 . 1 1 43 43 HIS N N 43 118.709 118.709 124.709 -6.000 19546 4215 1 16 . 1 1 43 43 HIS HA H 43 5.505 5.505 5.100 0.405 19546 4216 1 16 . 1 1 43 43 HIS CA C 43 53.758 53.758 55.064 -1.306 19546 4217 1 16 . 1 1 43 43 HIS CB C 43 37.671 37.671 33.225 4.446 19546 4218 1 16 . 1 1 43 43 HIS H H 43 8.580 8.580 8.552 0.028 19546 4219 1 16 . 1 1 44 44 ARG N N 44 121.721 121.721 121.543 0.178 19546 4220 1 16 . 1 1 44 44 ARG HA H 44 3.923 3.923 4.538 -0.615 19546 4221 1 16 . 1 1 44 44 ARG CA C 44 58.392 58.392 55.048 3.344 19546 4222 1 16 . 1 1 44 44 ARG H H 44 8.396 8.396 8.891 -0.495 19546 4223 1 16 . 1 1 45 45 GLU N N 45 126.002 126.002 122.520 3.482 19546 4224 1 16 . 1 1 45 45 GLU HA H 45 4.384 4.384 4.081 0.303 19546 4225 1 16 . 1 1 45 45 GLU CA C 45 59.792 59.792 59.171 0.621 19546 4226 1 16 . 1 1 45 45 GLU CB C 45 29.945 29.945 28.934 1.011 19546 4227 1 16 . 1 1 45 45 GLU H H 45 7.892 7.892 8.903 -1.011 19546 4228 1 16 . 1 1 46 46 GLU N N 46 118.201 118.201 118.228 -0.027 19546 4229 1 16 . 1 1 46 46 GLU HA H 46 4.212 4.212 4.205 0.007 19546 4230 1 16 . 1 1 46 46 GLU CA C 46 58.717 58.717 58.108 0.609 19546 4231 1 16 . 1 1 46 46 GLU CB C 46 27.031 27.031 29.454 -2.423 19546 4232 1 16 . 1 1 46 46 GLU H H 46 10.804 10.804 8.591 2.213 19546 4233 1 16 . 1 1 47 47 ILE N N 47 122.295 122.295 117.547 4.748 19546 4234 1 16 . 1 1 47 47 ILE HA H 47 3.526 3.526 4.113 -0.587 19546 4235 1 16 . 1 1 47 47 ILE CA C 47 60.756 60.756 62.341 -1.585 19546 4236 1 16 . 1 1 47 47 ILE CB C 47 34.770 34.770 39.894 -5.124 19546 4237 1 16 . 1 1 47 47 ILE H H 47 7.177 7.177 8.162 -0.985 19546 4238 1 16 . 1 1 48 48 TYR N N 48 122.359 122.359 122.132 0.227 19546 4239 1 16 . 1 1 48 48 TYR HA H 48 3.542 3.542 3.925 -0.383 19546 4240 1 16 . 1 1 48 48 TYR CA C 48 62.507 62.507 62.492 0.015 19546 4241 1 16 . 1 1 48 48 TYR CB C 48 39.069 39.069 38.640 0.429 19546 4242 1 16 . 1 1 48 48 TYR H H 48 7.949 7.949 8.249 -0.300 19546 4243 1 16 . 1 1 49 49 GLN N N 49 115.099 115.099 117.281 -2.182 19546 4244 1 16 . 1 1 49 49 GLN HA H 49 3.821 3.821 4.002 -0.181 19546 4245 1 16 . 1 1 49 49 GLN CA C 49 58.633 58.633 58.102 0.531 19546 4246 1 16 . 1 1 49 49 GLN CB C 49 28.038 28.038 28.443 -0.405 19546 4247 1 16 . 1 1 49 49 GLN H H 49 8.597 8.597 8.383 0.214 19546 4248 1 16 . 1 1 50 50 ARG N N 50 120.635 120.635 118.983 1.652 19546 4249 1 16 . 1 1 50 50 ARG HA H 50 3.938 3.938 4.134 -0.196 19546 4250 1 16 . 1 1 50 50 ARG CA C 50 59.616 59.616 58.402 1.214 19546 4251 1 16 . 1 1 50 50 ARG CB C 50 30.462 30.462 30.703 -0.241 19546 4252 1 16 . 1 1 50 50 ARG H H 50 7.134 7.134 7.465 -0.331 19546 4253 1 16 . 1 1 51 51 ILE N N 51 120.637 120.637 121.792 -1.155 19546 4254 1 16 . 1 1 51 51 ILE HA H 51 3.521 3.521 3.613 -0.092 19546 4255 1 16 . 1 1 51 51 ILE CA C 51 65.010 65.010 64.787 0.223 19546 4256 1 16 . 1 1 51 51 ILE CB C 51 37.878 37.878 37.898 -0.020 19546 4257 1 16 . 1 1 51 51 ILE H H 51 7.694 7.694 7.371 0.323 19546 4258 1 16 . 1 1 52 52 GLN N N 52 118.700 118.700 115.415 3.285 19546 4259 1 16 . 1 1 52 52 GLN HA H 52 3.768 3.768 4.083 -0.315 19546 4260 1 16 . 1 1 52 52 GLN CA C 52 57.616 57.616 55.252 2.364 19546 4261 1 16 . 1 1 52 52 GLN CB C 52 28.095 28.095 26.999 1.096 19546 4262 1 16 . 1 1 52 52 GLN H H 52 7.910 7.910 7.420 0.490 19546 4263 1 16 . 1 1 53 53 ALA N N 53 120.010 120.010 120.627 -0.617 19546 4264 1 16 . 1 1 53 53 ALA HA H 53 4.185 4.185 4.219 -0.034 19546 4265 1 16 . 1 1 53 53 ALA CA C 53 53.071 53.071 52.865 0.206 19546 4266 1 16 . 1 1 53 53 ALA CB C 53 18.546 18.546 19.501 -0.955 19546 4267 1 16 . 1 1 53 53 ALA H H 53 7.554 7.554 7.288 0.266 19546 4268 1 16 . 1 1 54 54 GLY N N 54 105.898 105.898 104.559 1.339 19546 4269 1 16 . 1 1 54 54 GLY CA C 54 45.605 45.605 44.849 0.756 19546 4270 1 16 . 1 1 54 54 GLY H H 54 7.692 7.692 7.775 -0.083 19546 4271 1 16 . 1 1 55 55 LEU N N 55 120.793 120.793 117.804 2.989 19546 4272 1 16 . 1 1 55 55 LEU HA H 55 4.352 4.352 5.137 -0.785 19546 4273 1 16 . 1 1 55 55 LEU CA C 55 54.964 54.964 53.538 1.425 19546 4274 1 16 . 1 1 55 55 LEU CB C 55 42.006 42.006 42.862 -0.856 19546 4275 1 16 . 1 1 55 55 LEU H H 55 7.669 7.669 7.722 -0.053 19546 4276 1 16 . 1 1 56 56 THR N N 56 114.129 114.129 108.979 5.150 19546 4277 1 16 . 1 1 56 56 THR HA H 56 4.278 4.278 4.526 -0.248 19546 4278 1 16 . 1 1 56 56 THR CA C 56 61.492 61.492 60.103 1.389 19546 4279 1 16 . 1 1 56 56 THR CB C 56 69.957 69.957 70.847 -0.890 19546 4280 1 16 . 1 1 56 56 THR H H 56 7.928 7.928 7.784 0.144 19546 4281 1 16 . 1 1 57 57 ALA N N 57 127.280 127.280 123.867 3.413 19546 4282 1 16 . 1 1 57 57 ALA HA H 57 4.178 4.178 4.351 -0.173 19546 4283 1 16 . 1 1 57 57 ALA CA C 57 50.568 50.568 51.322 -0.754 19546 4284 1 16 . 1 1 57 57 ALA CB C 57 17.738 17.738 18.196 -0.458 19546 4285 1 16 . 1 1 57 57 ALA H H 57 8.110 8.110 8.321 -0.211 19546 4286 1 16 . 1 1 58 58 PRO HA H 58 4.279 4.279 4.592 -0.313 19546 4287 1 16 . 1 1 58 58 PRO CA C 58 63.266 63.266 62.088 1.178 19546 4288 1 16 . 1 1 58 58 PRO CB C 58 31.983 31.983 32.520 -0.537 19546 4289 1 17 . 1 1 2 2 LEU N N 2 124.364 124.364 125.881 -1.517 19546 4290 1 17 . 1 1 2 2 LEU HA H 2 4.547 4.547 4.724 -0.177 19546 4291 1 17 . 1 1 2 2 LEU CA C 2 54.353 54.353 54.458 -0.105 19546 4292 1 17 . 1 1 2 2 LEU CB C 2 42.514 42.514 42.567 -0.053 19546 4293 1 17 . 1 1 2 2 LEU H H 2 8.494 8.494 8.357 0.137 19546 4294 1 17 . 1 1 3 3 ILE N N 3 130.774 130.774 123.608 7.166 19546 4295 1 17 . 1 1 3 3 ILE HA H 3 5.071 5.071 4.461 0.610 19546 4296 1 17 . 1 1 3 3 ILE CA C 3 60.083 60.083 60.931 -0.848 19546 4297 1 17 . 1 1 3 3 ILE CB C 3 37.710 37.710 40.028 -2.318 19546 4298 1 17 . 1 1 3 3 ILE H H 3 10.676 10.676 8.351 2.325 19546 4299 1 17 . 1 1 4 4 LEU N N 4 122.204 122.204 125.315 -3.111 19546 4300 1 17 . 1 1 4 4 LEU HA H 4 4.535 4.535 4.656 -0.121 19546 4301 1 17 . 1 1 4 4 LEU CA C 4 52.555 52.555 53.887 -1.332 19546 4302 1 17 . 1 1 4 4 LEU CB C 4 47.177 47.177 44.990 2.187 19546 4303 1 17 . 1 1 4 4 LEU H H 4 8.587 8.587 8.182 0.405 19546 4304 1 17 . 1 1 5 5 THR N N 5 119.940 119.940 117.651 2.289 19546 4305 1 17 . 1 1 5 5 THR HA H 5 5.476 5.476 4.705 0.771 19546 4306 1 17 . 1 1 5 5 THR CA C 5 61.923 61.923 61.727 0.196 19546 4307 1 17 . 1 1 5 5 THR CB C 5 68.963 68.963 69.430 -0.467 19546 4308 1 17 . 1 1 5 5 THR H H 5 9.161 9.161 8.324 0.837 19546 4309 1 17 . 1 1 6 6 ARG N N 6 126.862 126.862 123.262 3.600 19546 4310 1 17 . 1 1 6 6 ARG HA H 6 5.023 5.023 4.869 0.154 19546 4311 1 17 . 1 1 6 6 ARG CA C 6 55.325 55.325 54.627 0.698 19546 4312 1 17 . 1 1 6 6 ARG CB C 6 38.076 38.076 33.126 4.950 19546 4313 1 17 . 1 1 6 6 ARG H H 6 9.619 9.619 8.474 1.145 19546 4314 1 17 . 1 1 7 7 LYS N N 7 123.703 123.703 120.082 3.621 19546 4315 1 17 . 1 1 7 7 LYS HA H 7 5.069 5.069 4.649 0.420 19546 4316 1 17 . 1 1 7 7 LYS CA C 7 54.427 54.427 54.873 -0.446 19546 4317 1 17 . 1 1 7 7 LYS CB C 7 34.217 34.217 34.621 -0.404 19546 4318 1 17 . 1 1 7 7 LYS H H 7 9.450 9.450 9.111 0.339 19546 4319 1 17 . 1 1 8 8 VAL N N 8 118.617 118.617 120.680 -2.063 19546 4320 1 17 . 1 1 8 8 VAL HA H 8 3.315 3.315 3.729 -0.414 19546 4321 1 17 . 1 1 8 8 VAL CA C 8 66.050 66.050 64.046 2.004 19546 4322 1 17 . 1 1 8 8 VAL CB C 8 31.491 31.491 30.396 1.095 19546 4323 1 17 . 1 1 8 8 VAL H H 8 7.741 7.741 8.518 -0.777 19546 4324 1 17 . 1 1 9 9 GLY N N 9 116.069 116.069 115.717 0.352 19546 4325 1 17 . 1 1 9 9 GLY CA C 9 44.524 44.524 44.729 -0.205 19546 4326 1 17 . 1 1 9 9 GLY H H 9 9.269 9.269 8.979 0.290 19546 4327 1 17 . 1 1 10 10 GLU N N 10 119.364 119.364 121.186 -1.822 19546 4328 1 17 . 1 1 10 10 GLU HA H 10 4.891 4.891 4.642 0.249 19546 4329 1 17 . 1 1 10 10 GLU CA C 10 55.788 55.788 55.767 0.021 19546 4330 1 17 . 1 1 10 10 GLU CB C 10 32.873 32.873 31.219 1.654 19546 4331 1 17 . 1 1 10 10 GLU H H 10 8.426 8.426 8.305 0.121 19546 4332 1 17 . 1 1 11 11 SER N N 11 112.510 112.510 113.080 -0.570 19546 4333 1 17 . 1 1 11 11 SER HA H 11 5.882 5.882 5.308 0.574 19546 4334 1 17 . 1 1 11 11 SER CA C 11 57.997 57.997 57.241 0.756 19546 4335 1 17 . 1 1 11 11 SER CB C 11 66.884 66.884 66.386 0.498 19546 4336 1 17 . 1 1 11 11 SER H H 11 8.672 8.672 8.302 0.370 19546 4337 1 17 . 1 1 12 12 ILE N N 12 124.592 124.592 120.275 4.317 19546 4338 1 17 . 1 1 12 12 ILE HA H 12 4.365 4.365 4.563 -0.198 19546 4339 1 17 . 1 1 12 12 ILE CA C 12 59.814 59.814 59.123 0.691 19546 4340 1 17 . 1 1 12 12 ILE CB C 12 42.616 42.616 42.142 0.474 19546 4341 1 17 . 1 1 12 12 ILE H H 12 9.265 9.265 8.961 0.304 19546 4342 1 17 . 1 1 13 13 ASN N N 13 126.127 126.127 121.046 5.081 19546 4343 1 17 . 1 1 13 13 ASN HA H 13 4.947 4.947 5.203 -0.256 19546 4344 1 17 . 1 1 13 13 ASN CA C 13 53.571 53.571 52.230 1.341 19546 4345 1 17 . 1 1 13 13 ASN CB C 13 41.491 41.491 41.637 -0.146 19546 4346 1 17 . 1 1 13 13 ASN H H 13 9.318 9.318 8.357 0.961 19546 4347 1 17 . 1 1 14 14 ILE N N 14 123.984 123.984 123.575 0.409 19546 4348 1 17 . 1 1 14 14 ILE HA H 14 4.475 4.475 4.491 -0.016 19546 4349 1 17 . 1 1 14 14 ILE CA C 14 60.582 60.582 60.527 0.055 19546 4350 1 17 . 1 1 14 14 ILE CB C 14 38.573 38.573 41.428 -2.855 19546 4351 1 17 . 1 1 14 14 ILE H H 14 8.392 8.392 8.527 -0.135 19546 4352 1 17 . 1 1 15 15 GLY N N 15 115.533 115.533 113.010 2.523 19546 4353 1 17 . 1 1 15 15 GLY CA C 15 45.893 45.893 46.386 -0.493 19546 4354 1 17 . 1 1 15 15 GLY H H 15 9.148 9.148 8.541 0.607 19546 4355 1 17 . 1 1 16 16 ASP N N 16 121.039 121.039 121.851 -0.812 19546 4356 1 17 . 1 1 16 16 ASP HA H 16 4.969 4.969 4.726 0.243 19546 4357 1 17 . 1 1 16 16 ASP CA C 16 55.256 55.256 54.366 0.890 19546 4358 1 17 . 1 1 16 16 ASP CB C 16 42.342 42.342 41.657 0.685 19546 4359 1 17 . 1 1 16 16 ASP H H 16 8.809 8.809 8.289 0.520 19546 4360 1 17 . 1 1 17 17 ASP N N 17 115.538 115.538 119.255 -3.717 19546 4361 1 17 . 1 1 17 17 ASP HA H 17 4.749 4.749 4.794 -0.045 19546 4362 1 17 . 1 1 17 17 ASP CA C 17 54.134 54.134 54.125 0.009 19546 4363 1 17 . 1 1 17 17 ASP CB C 17 42.578 42.578 43.572 -0.994 19546 4364 1 17 . 1 1 17 17 ASP H H 17 8.140 8.140 7.960 0.180 19546 4365 1 17 . 1 1 18 18 ILE N N 18 118.702 118.702 119.860 -1.158 19546 4366 1 17 . 1 1 18 18 ILE HA H 18 5.239 5.239 4.718 0.521 19546 4367 1 17 . 1 1 18 18 ILE CA C 18 60.037 60.037 60.515 -0.478 19546 4368 1 17 . 1 1 18 18 ILE CB C 18 39.755 39.755 41.873 -2.118 19546 4369 1 17 . 1 1 18 18 ILE H H 18 7.183 7.183 7.652 -0.469 19546 4370 1 17 . 1 1 19 19 THR N N 19 122.806 122.806 122.420 0.386 19546 4371 1 17 . 1 1 19 19 THR HA H 19 5.110 5.110 4.999 0.111 19546 4372 1 17 . 1 1 19 19 THR CA C 19 60.845 60.845 61.710 -0.865 19546 4373 1 17 . 1 1 19 19 THR CB C 19 71.703 71.703 72.039 -0.336 19546 4374 1 17 . 1 1 19 19 THR H H 19 8.993 8.993 8.213 0.780 19546 4375 1 17 . 1 1 20 20 ILE N N 20 123.302 123.302 122.480 0.822 19546 4376 1 17 . 1 1 20 20 ILE HA H 20 4.891 4.891 4.962 -0.071 19546 4377 1 17 . 1 1 20 20 ILE CA C 20 58.946 58.946 59.261 -0.315 19546 4378 1 17 . 1 1 20 20 ILE CB C 20 40.382 40.382 41.994 -1.612 19546 4379 1 17 . 1 1 20 20 ILE H H 20 8.918 8.918 9.066 -0.148 19546 4380 1 17 . 1 1 21 21 THR N N 21 123.751 123.751 118.509 5.242 19546 4381 1 17 . 1 1 21 21 THR HA H 21 4.837 4.837 4.958 -0.121 19546 4382 1 17 . 1 1 21 21 THR CA C 21 61.523 61.523 61.411 0.112 19546 4383 1 17 . 1 1 21 21 THR CB C 21 71.939 71.939 72.309 -0.370 19546 4384 1 17 . 1 1 21 21 THR H H 21 9.398 9.398 8.790 0.608 19546 4385 1 17 . 1 1 22 22 ILE N N 22 125.736 125.736 125.494 0.242 19546 4386 1 17 . 1 1 22 22 ILE HA H 22 4.119 4.119 4.499 -0.380 19546 4387 1 17 . 1 1 22 22 ILE CA C 22 59.111 59.111 58.642 0.469 19546 4388 1 17 . 1 1 22 22 ILE CB C 22 33.929 33.929 38.498 -4.569 19546 4389 1 17 . 1 1 22 22 ILE H H 22 8.053 8.053 8.371 -0.318 19546 4390 1 17 . 1 1 23 23 LEU N N 23 129.499 129.499 129.140 0.359 19546 4391 1 17 . 1 1 23 23 LEU HA H 23 4.529 4.529 4.432 0.097 19546 4392 1 17 . 1 1 23 23 LEU CA C 23 55.574 55.574 55.868 -0.294 19546 4393 1 17 . 1 1 23 23 LEU CB C 23 41.923 41.923 42.072 -0.149 19546 4394 1 17 . 1 1 23 23 LEU H H 23 8.890 8.890 8.407 0.483 19546 4395 1 17 . 1 1 24 24 GLY N N 24 104.858 104.858 103.770 1.088 19546 4396 1 17 . 1 1 24 24 GLY CA C 24 46.001 46.001 45.370 0.631 19546 4397 1 17 . 1 1 24 24 GLY H H 24 7.565 7.565 7.630 -0.065 19546 4398 1 17 . 1 1 25 25 VAL N N 25 120.794 120.794 118.663 2.131 19546 4399 1 17 . 1 1 25 25 VAL HA H 25 4.670 4.670 4.581 0.089 19546 4400 1 17 . 1 1 25 25 VAL CA C 25 61.459 61.459 59.907 1.552 19546 4401 1 17 . 1 1 25 25 VAL CB C 25 35.692 35.692 35.576 0.116 19546 4402 1 17 . 1 1 25 25 VAL H H 25 8.477 8.477 8.270 0.207 19546 4403 1 17 . 1 1 26 26 SER N N 26 122.022 122.022 121.424 0.598 19546 4404 1 17 . 1 1 26 26 SER HA H 26 4.691 4.691 4.664 0.027 19546 4405 1 17 . 1 1 26 26 SER CA C 26 56.322 56.322 58.115 -1.793 19546 4406 1 17 . 1 1 26 26 SER CB C 26 63.731 63.731 64.138 -0.407 19546 4407 1 17 . 1 1 26 26 SER H H 26 8.619 8.619 8.871 -0.252 19546 4408 1 17 . 1 1 27 27 GLY N N 27 118.775 118.775 113.338 5.437 19546 4409 1 17 . 1 1 27 27 GLY CA C 27 47.626 47.626 46.063 1.563 19546 4410 1 17 . 1 1 27 27 GLY H H 27 8.969 8.969 8.339 0.630 19546 4411 1 17 . 1 1 28 28 GLN N N 28 124.390 124.390 124.996 -0.606 19546 4412 1 17 . 1 1 28 28 GLN HA H 28 4.324 4.324 4.234 0.090 19546 4413 1 17 . 1 1 28 28 GLN CA C 28 54.980 54.980 56.853 -1.873 19546 4414 1 17 . 1 1 28 28 GLN CB C 28 29.553 29.553 29.151 0.402 19546 4415 1 17 . 1 1 28 28 GLN H H 28 8.761 8.761 8.711 0.050 19546 4416 1 17 . 1 1 29 29 GLN N N 29 116.885 116.885 118.100 -1.215 19546 4417 1 17 . 1 1 29 29 GLN HA H 29 4.651 4.651 4.572 0.079 19546 4418 1 17 . 1 1 29 29 GLN CA C 29 55.364 55.364 54.995 0.369 19546 4419 1 17 . 1 1 29 29 GLN CB C 29 31.289 31.289 31.536 -0.247 19546 4420 1 17 . 1 1 29 29 GLN H H 29 8.307 8.307 7.474 0.833 19546 4421 1 17 . 1 1 30 30 VAL N N 30 123.399 123.399 118.665 4.734 19546 4422 1 17 . 1 1 30 30 VAL HA H 30 4.602 4.602 4.285 0.317 19546 4423 1 17 . 1 1 30 30 VAL CA C 30 60.710 60.710 61.580 -0.870 19546 4424 1 17 . 1 1 30 30 VAL CB C 30 34.560 34.560 35.578 -1.018 19546 4425 1 17 . 1 1 30 30 VAL H H 30 9.103 9.103 8.338 0.765 19546 4426 1 17 . 1 1 31 31 ARG N N 31 128.722 128.722 126.031 2.691 19546 4427 1 17 . 1 1 31 31 ARG HA H 31 4.659 4.659 4.882 -0.223 19546 4428 1 17 . 1 1 31 31 ARG CA C 31 55.755 55.755 54.957 0.798 19546 4429 1 17 . 1 1 31 31 ARG CB C 31 31.871 31.871 32.690 -0.819 19546 4430 1 17 . 1 1 31 31 ARG H H 31 8.750 8.750 8.479 0.271 19546 4431 1 17 . 1 1 32 32 ILE N N 32 127.760 127.760 119.617 8.143 19546 4432 1 17 . 1 1 32 32 ILE HA H 32 4.652 4.652 5.064 -0.412 19546 4433 1 17 . 1 1 32 32 ILE CA C 32 59.738 59.738 58.690 1.048 19546 4434 1 17 . 1 1 32 32 ILE CB C 32 41.082 41.082 42.042 -0.960 19546 4435 1 17 . 1 1 32 32 ILE H H 32 9.069 9.069 8.500 0.569 19546 4436 1 17 . 1 1 33 33 GLY N N 33 112.098 112.098 109.606 2.492 19546 4437 1 17 . 1 1 33 33 GLY CA C 33 44.565 44.565 43.693 0.872 19546 4438 1 17 . 1 1 33 33 GLY H H 33 9.075 9.075 8.595 0.480 19546 4439 1 17 . 1 1 34 34 ILE N N 34 124.988 124.988 119.458 5.530 19546 4440 1 17 . 1 1 34 34 ILE HA H 34 4.863 4.863 4.599 0.264 19546 4441 1 17 . 1 1 34 34 ILE CA C 34 61.053 61.053 60.672 0.381 19546 4442 1 17 . 1 1 34 34 ILE CB C 34 41.339 41.339 42.024 -0.685 19546 4443 1 17 . 1 1 34 34 ILE H H 34 9.654 9.654 8.213 1.441 19546 4444 1 17 . 1 1 35 35 ASN N N 35 129.566 129.566 125.133 4.433 19546 4445 1 17 . 1 1 35 35 ASN HA H 35 5.102 5.102 4.896 0.206 19546 4446 1 17 . 1 1 35 35 ASN CA C 35 52.166 52.166 52.398 -0.232 19546 4447 1 17 . 1 1 35 35 ASN CB C 35 40.191 40.191 39.572 0.620 19546 4448 1 17 . 1 1 35 35 ASN H H 35 9.013 9.013 9.063 -0.050 19546 4449 1 17 . 1 1 36 36 ALA N N 36 125.469 125.469 125.626 -0.157 19546 4450 1 17 . 1 1 36 36 ALA HA H 36 5.066 5.066 5.308 -0.242 19546 4451 1 17 . 1 1 36 36 ALA CA C 36 49.445 49.445 48.715 0.730 19546 4452 1 17 . 1 1 36 36 ALA CB C 36 19.884 19.884 20.316 -0.432 19546 4453 1 17 . 1 1 36 36 ALA H H 36 8.205 8.205 7.723 0.482 19546 4454 1 17 . 1 1 37 37 PRO HA H 37 4.415 4.415 4.633 -0.218 19546 4455 1 17 . 1 1 37 37 PRO CA C 37 62.961 62.961 62.422 0.539 19546 4456 1 17 . 1 1 37 37 PRO CB C 37 32.374 32.374 32.636 -0.262 19546 4457 1 17 . 1 1 38 38 LYS N N 38 121.088 121.088 120.684 0.404 19546 4458 1 17 . 1 1 38 38 LYS HA H 38 3.794 3.794 4.105 -0.311 19546 4459 1 17 . 1 1 38 38 LYS CA C 38 58.747 58.747 58.098 0.649 19546 4460 1 17 . 1 1 38 38 LYS CB C 38 31.857 31.857 32.227 -0.370 19546 4461 1 17 . 1 1 38 38 LYS H H 38 8.581 8.581 8.639 -0.058 19546 4462 1 17 . 1 1 39 39 ASP N N 39 113.879 113.879 117.409 -3.530 19546 4463 1 17 . 1 1 39 39 ASP HA H 39 4.364 4.364 4.593 -0.229 19546 4464 1 17 . 1 1 39 39 ASP CA C 39 54.027 54.027 55.293 -1.266 19546 4465 1 17 . 1 1 39 39 ASP CB C 39 39.749 39.749 41.214 -1.465 19546 4466 1 17 . 1 1 39 39 ASP H H 39 8.164 8.164 8.004 0.160 19546 4467 1 17 . 1 1 40 40 VAL N N 40 122.755 122.755 116.825 5.930 19546 4468 1 17 . 1 1 40 40 VAL HA H 40 3.975 3.975 4.397 -0.422 19546 4469 1 17 . 1 1 40 40 VAL CA C 40 61.937 61.937 60.109 1.828 19546 4470 1 17 . 1 1 40 40 VAL CB C 40 31.941 31.941 34.063 -2.122 19546 4471 1 17 . 1 1 40 40 VAL H H 40 8.053 8.053 7.493 0.560 19546 4472 1 17 . 1 1 41 41 ALA N N 41 133.718 133.718 127.571 6.147 19546 4473 1 17 . 1 1 41 41 ALA HA H 41 4.445 4.445 4.360 0.085 19546 4474 1 17 . 1 1 41 41 ALA CA C 41 52.269 52.269 52.500 -0.231 19546 4475 1 17 . 1 1 41 41 ALA CB C 41 19.053 19.053 19.134 -0.081 19546 4476 1 17 . 1 1 41 41 ALA H H 41 8.927 8.927 8.184 0.743 19546 4477 1 17 . 1 1 42 42 VAL N N 42 125.374 125.374 124.459 0.915 19546 4478 1 17 . 1 1 42 42 VAL HA H 42 4.384 4.384 4.418 -0.034 19546 4479 1 17 . 1 1 42 42 VAL CA C 42 60.485 60.485 63.179 -2.694 19546 4480 1 17 . 1 1 42 42 VAL CB C 42 33.636 33.636 33.836 -0.200 19546 4481 1 17 . 1 1 42 42 VAL H H 42 7.899 7.899 8.609 -0.710 19546 4482 1 17 . 1 1 43 43 HIS N N 43 118.709 118.709 125.349 -6.640 19546 4483 1 17 . 1 1 43 43 HIS HA H 43 5.505 5.505 5.072 0.433 19546 4484 1 17 . 1 1 43 43 HIS CA C 43 53.758 53.758 55.122 -1.364 19546 4485 1 17 . 1 1 43 43 HIS CB C 43 37.671 37.671 32.419 5.252 19546 4486 1 17 . 1 1 43 43 HIS H H 43 8.580 8.580 8.177 0.403 19546 4487 1 17 . 1 1 44 44 ARG N N 44 121.721 121.721 121.723 -0.002 19546 4488 1 17 . 1 1 44 44 ARG HA H 44 3.923 3.923 4.506 -0.583 19546 4489 1 17 . 1 1 44 44 ARG CA C 44 58.392 58.392 55.925 2.467 19546 4490 1 17 . 1 1 44 44 ARG H H 44 8.396 8.396 8.668 -0.272 19546 4491 1 17 . 1 1 45 45 GLU N N 45 126.002 126.002 123.415 2.587 19546 4492 1 17 . 1 1 45 45 GLU HA H 45 4.384 4.384 4.100 0.284 19546 4493 1 17 . 1 1 45 45 GLU CA C 45 59.792 59.792 59.486 0.306 19546 4494 1 17 . 1 1 45 45 GLU CB C 45 29.945 29.945 29.373 0.572 19546 4495 1 17 . 1 1 45 45 GLU H H 45 7.892 7.892 9.033 -1.141 19546 4496 1 17 . 1 1 46 46 GLU N N 46 118.201 118.201 118.739 -0.538 19546 4497 1 17 . 1 1 46 46 GLU HA H 46 4.212 4.212 4.183 0.029 19546 4498 1 17 . 1 1 46 46 GLU CA C 46 58.717 58.717 58.325 0.392 19546 4499 1 17 . 1 1 46 46 GLU CB C 46 27.031 27.031 29.310 -2.279 19546 4500 1 17 . 1 1 46 46 GLU H H 46 10.804 10.804 8.721 2.083 19546 4501 1 17 . 1 1 47 47 ILE N N 47 122.295 122.295 117.163 5.132 19546 4502 1 17 . 1 1 47 47 ILE HA H 47 3.526 3.526 4.097 -0.571 19546 4503 1 17 . 1 1 47 47 ILE CA C 47 60.756 60.756 62.096 -1.340 19546 4504 1 17 . 1 1 47 47 ILE CB C 47 34.770 34.770 40.501 -5.731 19546 4505 1 17 . 1 1 47 47 ILE H H 47 7.177 7.177 7.508 -0.331 19546 4506 1 17 . 1 1 48 48 TYR N N 48 122.359 122.359 122.131 0.228 19546 4507 1 17 . 1 1 48 48 TYR HA H 48 3.542 3.542 3.853 -0.311 19546 4508 1 17 . 1 1 48 48 TYR CA C 48 62.507 62.507 62.994 -0.487 19546 4509 1 17 . 1 1 48 48 TYR CB C 48 39.069 39.069 38.817 0.252 19546 4510 1 17 . 1 1 48 48 TYR H H 48 7.949 7.949 8.779 -0.830 19546 4511 1 17 . 1 1 49 49 GLN N N 49 115.099 115.099 115.470 -0.371 19546 4512 1 17 . 1 1 49 49 GLN HA H 49 3.821 3.821 4.060 -0.239 19546 4513 1 17 . 1 1 49 49 GLN CA C 49 58.633 58.633 57.763 0.870 19546 4514 1 17 . 1 1 49 49 GLN CB C 49 28.038 28.038 28.789 -0.751 19546 4515 1 17 . 1 1 49 49 GLN H H 49 8.597 8.597 7.923 0.674 19546 4516 1 17 . 1 1 50 50 ARG N N 50 120.635 120.635 117.533 3.102 19546 4517 1 17 . 1 1 50 50 ARG HA H 50 3.938 3.938 4.243 -0.305 19546 4518 1 17 . 1 1 50 50 ARG CA C 50 59.616 59.616 57.804 1.812 19546 4519 1 17 . 1 1 50 50 ARG CB C 50 30.462 30.462 30.723 -0.261 19546 4520 1 17 . 1 1 50 50 ARG H H 50 7.134 7.134 7.591 -0.457 19546 4521 1 17 . 1 1 51 51 ILE N N 51 120.637 120.637 120.354 0.283 19546 4522 1 17 . 1 1 51 51 ILE HA H 51 3.521 3.521 3.716 -0.195 19546 4523 1 17 . 1 1 51 51 ILE CA C 51 65.010 65.010 64.233 0.777 19546 4524 1 17 . 1 1 51 51 ILE CB C 51 37.878 37.878 38.107 -0.229 19546 4525 1 17 . 1 1 51 51 ILE H H 51 7.694 7.694 7.549 0.145 19546 4526 1 17 . 1 1 52 52 GLN N N 52 118.700 118.700 116.555 2.145 19546 4527 1 17 . 1 1 52 52 GLN HA H 52 3.768 3.768 3.980 -0.212 19546 4528 1 17 . 1 1 52 52 GLN CA C 52 57.616 57.616 56.041 1.575 19546 4529 1 17 . 1 1 52 52 GLN CB C 52 28.095 28.095 27.375 0.720 19546 4530 1 17 . 1 1 52 52 GLN H H 52 7.910 7.910 7.627 0.283 19546 4531 1 17 . 1 1 53 53 ALA N N 53 120.010 120.010 120.747 -0.737 19546 4532 1 17 . 1 1 53 53 ALA HA H 53 4.185 4.185 4.184 0.001 19546 4533 1 17 . 1 1 53 53 ALA CA C 53 53.071 53.071 52.796 0.275 19546 4534 1 17 . 1 1 53 53 ALA CB C 53 18.546 18.546 19.331 -0.784 19546 4535 1 17 . 1 1 53 53 ALA H H 53 7.554 7.554 7.091 0.463 19546 4536 1 17 . 1 1 54 54 GLY N N 54 105.898 105.898 104.690 1.208 19546 4537 1 17 . 1 1 54 54 GLY CA C 54 45.605 45.605 44.825 0.780 19546 4538 1 17 . 1 1 54 54 GLY H H 54 7.692 7.692 7.772 -0.080 19546 4539 1 17 . 1 1 55 55 LEU N N 55 120.793 120.793 117.716 3.077 19546 4540 1 17 . 1 1 55 55 LEU HA H 55 4.352 4.352 5.111 -0.759 19546 4541 1 17 . 1 1 55 55 LEU CA C 55 54.964 54.964 53.568 1.396 19546 4542 1 17 . 1 1 55 55 LEU CB C 55 42.006 42.006 42.832 -0.826 19546 4543 1 17 . 1 1 55 55 LEU H H 55 7.669 7.669 7.721 -0.052 19546 4544 1 17 . 1 1 56 56 THR N N 56 114.129 114.129 109.788 4.341 19546 4545 1 17 . 1 1 56 56 THR HA H 56 4.278 4.278 4.446 -0.168 19546 4546 1 17 . 1 1 56 56 THR CA C 56 61.492 61.492 60.199 1.293 19546 4547 1 17 . 1 1 56 56 THR CB C 56 69.957 69.957 70.835 -0.878 19546 4548 1 17 . 1 1 56 56 THR H H 56 7.928 7.928 7.880 0.048 19546 4549 1 17 . 1 1 57 57 ALA N N 57 127.280 127.280 123.428 3.852 19546 4550 1 17 . 1 1 57 57 ALA HA H 57 4.178 4.178 4.326 -0.148 19546 4551 1 17 . 1 1 57 57 ALA CA C 57 50.568 50.568 51.503 -0.935 19546 4552 1 17 . 1 1 57 57 ALA CB C 57 17.738 17.738 18.465 -0.727 19546 4553 1 17 . 1 1 57 57 ALA H H 57 8.110 8.110 8.263 -0.153 19546 4554 1 17 . 1 1 58 58 PRO HA H 58 4.279 4.279 4.204 0.075 19546 4555 1 17 . 1 1 58 58 PRO CA C 58 63.266 63.266 63.895 -0.630 19546 4556 1 17 . 1 1 58 58 PRO CB C 58 31.983 31.983 32.130 -0.147 19546 4557 1 18 . 1 1 2 2 LEU N N 2 124.364 124.364 125.993 -1.629 19546 4558 1 18 . 1 1 2 2 LEU HA H 2 4.547 4.547 4.693 -0.146 19546 4559 1 18 . 1 1 2 2 LEU CA C 2 54.353 54.353 54.486 -0.133 19546 4560 1 18 . 1 1 2 2 LEU CB C 2 42.514 42.514 42.666 -0.152 19546 4561 1 18 . 1 1 2 2 LEU H H 2 8.494 8.494 8.362 0.132 19546 4562 1 18 . 1 1 3 3 ILE N N 3 130.774 130.774 123.346 7.428 19546 4563 1 18 . 1 1 3 3 ILE HA H 3 5.071 5.071 4.409 0.662 19546 4564 1 18 . 1 1 3 3 ILE CA C 3 60.083 60.083 61.106 -1.023 19546 4565 1 18 . 1 1 3 3 ILE CB C 3 37.710 37.710 39.765 -2.055 19546 4566 1 18 . 1 1 3 3 ILE H H 3 10.676 10.676 8.250 2.426 19546 4567 1 18 . 1 1 4 4 LEU N N 4 122.204 122.204 127.301 -5.097 19546 4568 1 18 . 1 1 4 4 LEU HA H 4 4.535 4.535 4.752 -0.217 19546 4569 1 18 . 1 1 4 4 LEU CA C 4 52.555 52.555 53.888 -1.333 19546 4570 1 18 . 1 1 4 4 LEU CB C 4 47.177 47.177 44.438 2.739 19546 4571 1 18 . 1 1 4 4 LEU H H 4 8.587 8.587 8.410 0.177 19546 4572 1 18 . 1 1 5 5 THR N N 5 119.940 119.940 117.378 2.562 19546 4573 1 18 . 1 1 5 5 THR HA H 5 5.476 5.476 4.625 0.851 19546 4574 1 18 . 1 1 5 5 THR CA C 5 61.923 61.923 61.675 0.248 19546 4575 1 18 . 1 1 5 5 THR CB C 5 68.963 68.963 69.337 -0.374 19546 4576 1 18 . 1 1 5 5 THR H H 5 9.161 9.161 8.347 0.814 19546 4577 1 18 . 1 1 6 6 ARG N N 6 126.862 126.862 123.443 3.419 19546 4578 1 18 . 1 1 6 6 ARG HA H 6 5.023 5.023 4.866 0.157 19546 4579 1 18 . 1 1 6 6 ARG CA C 6 55.325 55.325 54.522 0.803 19546 4580 1 18 . 1 1 6 6 ARG CB C 6 38.076 38.076 33.157 4.919 19546 4581 1 18 . 1 1 6 6 ARG H H 6 9.619 9.619 8.467 1.152 19546 4582 1 18 . 1 1 7 7 LYS N N 7 123.703 123.703 120.541 3.162 19546 4583 1 18 . 1 1 7 7 LYS HA H 7 5.069 5.069 4.688 0.381 19546 4584 1 18 . 1 1 7 7 LYS CA C 7 54.427 54.427 55.086 -0.659 19546 4585 1 18 . 1 1 7 7 LYS CB C 7 34.217 34.217 34.656 -0.439 19546 4586 1 18 . 1 1 7 7 LYS H H 7 9.450 9.450 9.181 0.268 19546 4587 1 18 . 1 1 8 8 VAL N N 8 118.617 118.617 118.764 -0.147 19546 4588 1 18 . 1 1 8 8 VAL HA H 8 3.315 3.315 3.895 -0.580 19546 4589 1 18 . 1 1 8 8 VAL CA C 8 66.050 66.050 63.365 2.685 19546 4590 1 18 . 1 1 8 8 VAL CB C 8 31.491 31.491 30.855 0.636 19546 4591 1 18 . 1 1 8 8 VAL H H 8 7.741 7.741 8.386 -0.645 19546 4592 1 18 . 1 1 9 9 GLY N N 9 116.069 116.069 115.438 0.631 19546 4593 1 18 . 1 1 9 9 GLY CA C 9 44.524 44.524 44.828 -0.305 19546 4594 1 18 . 1 1 9 9 GLY H H 9 9.269 9.269 8.834 0.435 19546 4595 1 18 . 1 1 10 10 GLU N N 10 119.364 119.364 121.038 -1.674 19546 4596 1 18 . 1 1 10 10 GLU HA H 10 4.891 4.891 4.678 0.213 19546 4597 1 18 . 1 1 10 10 GLU CA C 10 55.788 55.788 55.471 0.317 19546 4598 1 18 . 1 1 10 10 GLU CB C 10 32.873 32.873 31.619 1.254 19546 4599 1 18 . 1 1 10 10 GLU H H 10 8.426 8.426 8.028 0.398 19546 4600 1 18 . 1 1 11 11 SER N N 11 112.510 112.510 112.709 -0.199 19546 4601 1 18 . 1 1 11 11 SER HA H 11 5.882 5.882 5.199 0.683 19546 4602 1 18 . 1 1 11 11 SER CA C 11 57.997 57.997 57.173 0.824 19546 4603 1 18 . 1 1 11 11 SER CB C 11 66.884 66.884 66.146 0.738 19546 4604 1 18 . 1 1 11 11 SER H H 11 8.672 8.672 8.292 0.380 19546 4605 1 18 . 1 1 12 12 ILE N N 12 124.592 124.592 119.819 4.773 19546 4606 1 18 . 1 1 12 12 ILE HA H 12 4.365 4.365 4.542 -0.177 19546 4607 1 18 . 1 1 12 12 ILE CA C 12 59.814 59.814 59.098 0.716 19546 4608 1 18 . 1 1 12 12 ILE CB C 12 42.616 42.616 42.280 0.336 19546 4609 1 18 . 1 1 12 12 ILE H H 12 9.265 9.265 8.908 0.357 19546 4610 1 18 . 1 1 13 13 ASN N N 13 126.127 126.127 121.396 4.731 19546 4611 1 18 . 1 1 13 13 ASN HA H 13 4.947 4.947 5.078 -0.131 19546 4612 1 18 . 1 1 13 13 ASN CA C 13 53.571 53.571 52.070 1.501 19546 4613 1 18 . 1 1 13 13 ASN CB C 13 41.491 41.491 41.765 -0.274 19546 4614 1 18 . 1 1 13 13 ASN H H 13 9.318 9.318 8.382 0.936 19546 4615 1 18 . 1 1 14 14 ILE N N 14 123.984 123.984 122.340 1.644 19546 4616 1 18 . 1 1 14 14 ILE HA H 14 4.475 4.475 4.437 0.038 19546 4617 1 18 . 1 1 14 14 ILE CA C 14 60.582 60.582 60.774 -0.192 19546 4618 1 18 . 1 1 14 14 ILE CB C 14 38.573 38.573 41.791 -3.218 19546 4619 1 18 . 1 1 14 14 ILE H H 14 8.392 8.392 8.642 -0.250 19546 4620 1 18 . 1 1 15 15 GLY N N 15 115.533 115.533 112.520 3.013 19546 4621 1 18 . 1 1 15 15 GLY CA C 15 45.893 45.893 46.535 -0.642 19546 4622 1 18 . 1 1 15 15 GLY H H 15 9.148 9.148 8.588 0.560 19546 4623 1 18 . 1 1 16 16 ASP N N 16 121.039 121.039 121.898 -0.859 19546 4624 1 18 . 1 1 16 16 ASP HA H 16 4.969 4.969 4.726 0.243 19546 4625 1 18 . 1 1 16 16 ASP CA C 16 55.256 55.256 54.377 0.879 19546 4626 1 18 . 1 1 16 16 ASP CB C 16 42.342 42.342 41.681 0.661 19546 4627 1 18 . 1 1 16 16 ASP H H 16 8.809 8.809 8.297 0.512 19546 4628 1 18 . 1 1 17 17 ASP N N 17 115.538 115.538 119.201 -3.663 19546 4629 1 18 . 1 1 17 17 ASP HA H 17 4.749 4.749 4.792 -0.043 19546 4630 1 18 . 1 1 17 17 ASP CA C 17 54.134 54.134 54.115 0.018 19546 4631 1 18 . 1 1 17 17 ASP CB C 17 42.578 42.578 43.569 -0.991 19546 4632 1 18 . 1 1 17 17 ASP H H 17 8.140 8.140 7.946 0.194 19546 4633 1 18 . 1 1 18 18 ILE N N 18 118.702 118.702 119.812 -1.110 19546 4634 1 18 . 1 1 18 18 ILE HA H 18 5.239 5.239 4.748 0.491 19546 4635 1 18 . 1 1 18 18 ILE CA C 18 60.037 60.037 60.466 -0.429 19546 4636 1 18 . 1 1 18 18 ILE CB C 18 39.755 39.755 42.004 -2.248 19546 4637 1 18 . 1 1 18 18 ILE H H 18 7.183 7.183 7.669 -0.486 19546 4638 1 18 . 1 1 19 19 THR N N 19 122.806 122.806 121.919 0.887 19546 4639 1 18 . 1 1 19 19 THR HA H 19 5.110 5.110 4.960 0.150 19546 4640 1 18 . 1 1 19 19 THR CA C 19 60.845 60.845 61.713 -0.868 19546 4641 1 18 . 1 1 19 19 THR CB C 19 71.703 71.703 72.082 -0.378 19546 4642 1 18 . 1 1 19 19 THR H H 19 8.993 8.993 8.235 0.758 19546 4643 1 18 . 1 1 20 20 ILE N N 20 123.302 123.302 122.093 1.209 19546 4644 1 18 . 1 1 20 20 ILE HA H 20 4.891 4.891 4.838 0.053 19546 4645 1 18 . 1 1 20 20 ILE CA C 20 58.946 58.946 59.251 -0.305 19546 4646 1 18 . 1 1 20 20 ILE CB C 20 40.382 40.382 41.842 -1.460 19546 4647 1 18 . 1 1 20 20 ILE H H 20 8.918 8.918 9.121 -0.203 19546 4648 1 18 . 1 1 21 21 THR N N 21 123.751 123.751 119.056 4.695 19546 4649 1 18 . 1 1 21 21 THR HA H 21 4.837 4.837 4.881 -0.044 19546 4650 1 18 . 1 1 21 21 THR CA C 21 61.523 61.523 61.504 0.019 19546 4651 1 18 . 1 1 21 21 THR CB C 21 71.939 71.939 72.158 -0.219 19546 4652 1 18 . 1 1 21 21 THR H H 21 9.398 9.398 8.788 0.610 19546 4653 1 18 . 1 1 22 22 ILE N N 22 125.736 125.736 126.272 -0.536 19546 4654 1 18 . 1 1 22 22 ILE HA H 22 4.119 4.119 4.509 -0.390 19546 4655 1 18 . 1 1 22 22 ILE CA C 22 59.111 59.111 58.559 0.552 19546 4656 1 18 . 1 1 22 22 ILE CB C 22 33.929 33.929 38.461 -4.532 19546 4657 1 18 . 1 1 22 22 ILE H H 22 8.053 8.053 8.367 -0.314 19546 4658 1 18 . 1 1 23 23 LEU N N 23 129.499 129.499 129.945 -0.446 19546 4659 1 18 . 1 1 23 23 LEU HA H 23 4.529 4.529 4.155 0.374 19546 4660 1 18 . 1 1 23 23 LEU CA C 23 55.574 55.574 56.077 -0.502 19546 4661 1 18 . 1 1 23 23 LEU CB C 23 41.923 41.923 42.062 -0.139 19546 4662 1 18 . 1 1 23 23 LEU H H 23 8.890 8.890 8.263 0.627 19546 4663 1 18 . 1 1 24 24 GLY N N 24 104.858 104.858 104.119 0.739 19546 4664 1 18 . 1 1 24 24 GLY CA C 24 46.001 46.001 44.885 1.116 19546 4665 1 18 . 1 1 24 24 GLY H H 24 7.565 7.565 7.630 -0.065 19546 4666 1 18 . 1 1 25 25 VAL N N 25 120.794 120.794 118.664 2.130 19546 4667 1 18 . 1 1 25 25 VAL HA H 25 4.670 4.670 4.676 -0.006 19546 4668 1 18 . 1 1 25 25 VAL CA C 25 61.459 61.459 59.348 2.111 19546 4669 1 18 . 1 1 25 25 VAL CB C 25 35.692 35.692 34.779 0.914 19546 4670 1 18 . 1 1 25 25 VAL H H 25 8.477 8.477 8.328 0.149 19546 4671 1 18 . 1 1 26 26 SER N N 26 122.022 122.022 120.493 1.529 19546 4672 1 18 . 1 1 26 26 SER HA H 26 4.691 4.691 4.619 0.072 19546 4673 1 18 . 1 1 26 26 SER CA C 26 56.322 56.322 58.149 -1.827 19546 4674 1 18 . 1 1 26 26 SER CB C 26 63.731 63.731 64.093 -0.362 19546 4675 1 18 . 1 1 26 26 SER H H 26 8.619 8.619 8.916 -0.297 19546 4676 1 18 . 1 1 27 27 GLY N N 27 118.775 118.775 113.125 5.650 19546 4677 1 18 . 1 1 27 27 GLY CA C 27 47.626 47.626 45.743 1.883 19546 4678 1 18 . 1 1 27 27 GLY H H 27 8.969 8.969 8.321 0.648 19546 4679 1 18 . 1 1 28 28 GLN N N 28 124.390 124.390 124.541 -0.151 19546 4680 1 18 . 1 1 28 28 GLN HA H 28 4.324 4.324 4.204 0.120 19546 4681 1 18 . 1 1 28 28 GLN CA C 28 54.980 54.980 56.513 -1.533 19546 4682 1 18 . 1 1 28 28 GLN CB C 28 29.553 29.553 28.919 0.634 19546 4683 1 18 . 1 1 28 28 GLN H H 28 8.761 8.761 8.719 0.042 19546 4684 1 18 . 1 1 29 29 GLN N N 29 116.885 116.885 117.677 -0.792 19546 4685 1 18 . 1 1 29 29 GLN HA H 29 4.651 4.651 4.653 -0.002 19546 4686 1 18 . 1 1 29 29 GLN CA C 29 55.364 55.364 54.547 0.817 19546 4687 1 18 . 1 1 29 29 GLN CB C 29 31.289 31.289 32.575 -1.286 19546 4688 1 18 . 1 1 29 29 GLN H H 29 8.307 8.307 7.414 0.893 19546 4689 1 18 . 1 1 30 30 VAL N N 30 123.399 123.399 119.778 3.621 19546 4690 1 18 . 1 1 30 30 VAL HA H 30 4.602 4.602 4.391 0.211 19546 4691 1 18 . 1 1 30 30 VAL CA C 30 60.710 60.710 61.298 -0.588 19546 4692 1 18 . 1 1 30 30 VAL CB C 30 34.560 34.560 35.442 -0.882 19546 4693 1 18 . 1 1 30 30 VAL H H 30 9.103 9.103 8.423 0.680 19546 4694 1 18 . 1 1 31 31 ARG N N 31 128.722 128.722 126.116 2.606 19546 4695 1 18 . 1 1 31 31 ARG HA H 31 4.659 4.659 4.856 -0.197 19546 4696 1 18 . 1 1 31 31 ARG CA C 31 55.755 55.755 54.304 1.451 19546 4697 1 18 . 1 1 31 31 ARG CB C 31 31.871 31.871 31.900 -0.029 19546 4698 1 18 . 1 1 31 31 ARG H H 31 8.750 8.750 8.767 -0.017 19546 4699 1 18 . 1 1 32 32 ILE N N 32 127.760 127.760 119.496 8.264 19546 4700 1 18 . 1 1 32 32 ILE HA H 32 4.652 4.652 5.087 -0.435 19546 4701 1 18 . 1 1 32 32 ILE CA C 32 59.738 59.738 58.816 0.922 19546 4702 1 18 . 1 1 32 32 ILE CB C 32 41.082 41.082 42.246 -1.164 19546 4703 1 18 . 1 1 32 32 ILE H H 32 9.069 9.069 8.520 0.549 19546 4704 1 18 . 1 1 33 33 GLY N N 33 112.098 112.098 109.438 2.660 19546 4705 1 18 . 1 1 33 33 GLY CA C 33 44.565 44.565 43.736 0.829 19546 4706 1 18 . 1 1 33 33 GLY H H 33 9.075 9.075 8.589 0.486 19546 4707 1 18 . 1 1 34 34 ILE N N 34 124.988 124.988 119.156 5.832 19546 4708 1 18 . 1 1 34 34 ILE HA H 34 4.863 4.863 4.577 0.286 19546 4709 1 18 . 1 1 34 34 ILE CA C 34 61.053 61.053 60.614 0.439 19546 4710 1 18 . 1 1 34 34 ILE CB C 34 41.339 41.339 42.077 -0.738 19546 4711 1 18 . 1 1 34 34 ILE H H 34 9.654 9.654 8.203 1.451 19546 4712 1 18 . 1 1 35 35 ASN N N 35 129.566 129.566 124.663 4.903 19546 4713 1 18 . 1 1 35 35 ASN HA H 35 5.102 5.102 4.889 0.213 19546 4714 1 18 . 1 1 35 35 ASN CA C 35 52.166 52.166 52.392 -0.226 19546 4715 1 18 . 1 1 35 35 ASN CB C 35 40.191 40.191 39.487 0.704 19546 4716 1 18 . 1 1 35 35 ASN H H 35 9.013 9.013 9.039 -0.026 19546 4717 1 18 . 1 1 36 36 ALA N N 36 125.469 125.469 125.379 0.090 19546 4718 1 18 . 1 1 36 36 ALA HA H 36 5.066 5.066 5.363 -0.297 19546 4719 1 18 . 1 1 36 36 ALA CA C 36 49.445 49.445 48.832 0.613 19546 4720 1 18 . 1 1 36 36 ALA CB C 36 19.884 19.884 20.467 -0.583 19546 4721 1 18 . 1 1 36 36 ALA H H 36 8.205 8.205 7.934 0.271 19546 4722 1 18 . 1 1 37 37 PRO HA H 37 4.415 4.415 4.674 -0.259 19546 4723 1 18 . 1 1 37 37 PRO CA C 37 62.961 62.961 62.320 0.641 19546 4724 1 18 . 1 1 37 37 PRO CB C 37 32.374 32.374 33.536 -1.162 19546 4725 1 18 . 1 1 38 38 LYS N N 38 121.088 121.088 120.196 0.892 19546 4726 1 18 . 1 1 38 38 LYS HA H 38 3.794 3.794 4.146 -0.352 19546 4727 1 18 . 1 1 38 38 LYS CA C 38 58.747 58.747 57.932 0.815 19546 4728 1 18 . 1 1 38 38 LYS CB C 38 31.857 31.857 32.251 -0.394 19546 4729 1 18 . 1 1 38 38 LYS H H 38 8.581 8.581 8.623 -0.042 19546 4730 1 18 . 1 1 39 39 ASP N N 39 113.879 113.879 117.561 -3.682 19546 4731 1 18 . 1 1 39 39 ASP HA H 39 4.364 4.364 4.556 -0.192 19546 4732 1 18 . 1 1 39 39 ASP CA C 39 54.027 54.027 55.534 -1.507 19546 4733 1 18 . 1 1 39 39 ASP CB C 39 39.749 39.749 41.122 -1.373 19546 4734 1 18 . 1 1 39 39 ASP H H 39 8.164 8.164 8.070 0.094 19546 4735 1 18 . 1 1 40 40 VAL N N 40 122.755 122.755 115.936 6.819 19546 4736 1 18 . 1 1 40 40 VAL HA H 40 3.975 3.975 4.411 -0.436 19546 4737 1 18 . 1 1 40 40 VAL CA C 40 61.937 61.937 60.018 1.919 19546 4738 1 18 . 1 1 40 40 VAL CB C 40 31.941 31.941 34.420 -2.479 19546 4739 1 18 . 1 1 40 40 VAL H H 40 8.053 8.053 7.461 0.592 19546 4740 1 18 . 1 1 41 41 ALA N N 41 133.718 133.718 127.847 5.871 19546 4741 1 18 . 1 1 41 41 ALA HA H 41 4.445 4.445 4.464 -0.019 19546 4742 1 18 . 1 1 41 41 ALA CA C 41 52.269 52.269 52.712 -0.443 19546 4743 1 18 . 1 1 41 41 ALA CB C 41 19.053 19.053 19.416 -0.364 19546 4744 1 18 . 1 1 41 41 ALA H H 41 8.927 8.927 8.330 0.597 19546 4745 1 18 . 1 1 42 42 VAL N N 42 125.374 125.374 123.008 2.366 19546 4746 1 18 . 1 1 42 42 VAL HA H 42 4.384 4.384 4.332 0.052 19546 4747 1 18 . 1 1 42 42 VAL CA C 42 60.485 60.485 62.472 -1.987 19546 4748 1 18 . 1 1 42 42 VAL CB C 42 33.636 33.636 33.227 0.409 19546 4749 1 18 . 1 1 42 42 VAL H H 42 7.899 7.899 8.029 -0.130 19546 4750 1 18 . 1 1 43 43 HIS N N 43 118.709 118.709 124.106 -5.397 19546 4751 1 18 . 1 1 43 43 HIS HA H 43 5.505 5.505 4.963 0.542 19546 4752 1 18 . 1 1 43 43 HIS CA C 43 53.758 53.758 55.197 -1.439 19546 4753 1 18 . 1 1 43 43 HIS CB C 43 37.671 37.671 31.991 5.679 19546 4754 1 18 . 1 1 43 43 HIS H H 43 8.580 8.580 8.247 0.333 19546 4755 1 18 . 1 1 44 44 ARG N N 44 121.721 121.721 122.460 -0.739 19546 4756 1 18 . 1 1 44 44 ARG HA H 44 3.923 3.923 4.319 -0.396 19546 4757 1 18 . 1 1 44 44 ARG CA C 44 58.392 58.392 56.444 1.948 19546 4758 1 18 . 1 1 44 44 ARG H H 44 8.396 8.396 8.712 -0.316 19546 4759 1 18 . 1 1 45 45 GLU N N 45 126.002 126.002 125.402 0.600 19546 4760 1 18 . 1 1 45 45 GLU HA H 45 4.384 4.384 4.100 0.284 19546 4761 1 18 . 1 1 45 45 GLU CA C 45 59.792 59.792 59.800 -0.008 19546 4762 1 18 . 1 1 45 45 GLU CB C 45 29.945 29.945 29.590 0.355 19546 4763 1 18 . 1 1 45 45 GLU H H 45 7.892 7.892 9.033 -1.141 19546 4764 1 18 . 1 1 46 46 GLU N N 46 118.201 118.201 118.322 -0.121 19546 4765 1 18 . 1 1 46 46 GLU HA H 46 4.212 4.212 4.184 0.028 19546 4766 1 18 . 1 1 46 46 GLU CA C 46 58.717 58.717 58.169 0.548 19546 4767 1 18 . 1 1 46 46 GLU CB C 46 27.031 27.031 29.227 -2.196 19546 4768 1 18 . 1 1 46 46 GLU H H 46 10.804 10.804 8.741 2.063 19546 4769 1 18 . 1 1 47 47 ILE N N 47 122.295 122.295 117.720 4.575 19546 4770 1 18 . 1 1 47 47 ILE HA H 47 3.526 3.526 4.096 -0.570 19546 4771 1 18 . 1 1 47 47 ILE CA C 47 60.756 60.756 62.132 -1.376 19546 4772 1 18 . 1 1 47 47 ILE CB C 47 34.770 34.770 40.409 -5.639 19546 4773 1 18 . 1 1 47 47 ILE H H 47 7.177 7.177 7.471 -0.294 19546 4774 1 18 . 1 1 48 48 TYR N N 48 122.359 122.359 122.260 0.099 19546 4775 1 18 . 1 1 48 48 TYR HA H 48 3.542 3.542 3.882 -0.340 19546 4776 1 18 . 1 1 48 48 TYR CA C 48 62.507 62.507 62.884 -0.377 19546 4777 1 18 . 1 1 48 48 TYR CB C 48 39.069 39.069 38.789 0.280 19546 4778 1 18 . 1 1 48 48 TYR H H 48 7.949 7.949 8.732 -0.783 19546 4779 1 18 . 1 1 49 49 GLN N N 49 115.099 115.099 115.630 -0.531 19546 4780 1 18 . 1 1 49 49 GLN HA H 49 3.821 3.821 4.070 -0.249 19546 4781 1 18 . 1 1 49 49 GLN CA C 49 58.633 58.633 57.790 0.843 19546 4782 1 18 . 1 1 49 49 GLN CB C 49 28.038 28.038 28.801 -0.763 19546 4783 1 18 . 1 1 49 49 GLN H H 49 8.597 8.597 7.866 0.731 19546 4784 1 18 . 1 1 50 50 ARG N N 50 120.635 120.635 117.589 3.046 19546 4785 1 18 . 1 1 50 50 ARG HA H 50 3.938 3.938 4.236 -0.298 19546 4786 1 18 . 1 1 50 50 ARG CA C 50 59.616 59.616 57.833 1.784 19546 4787 1 18 . 1 1 50 50 ARG CB C 50 30.462 30.462 30.682 -0.220 19546 4788 1 18 . 1 1 50 50 ARG H H 50 7.134 7.134 7.527 -0.393 19546 4789 1 18 . 1 1 51 51 ILE N N 51 120.637 120.637 120.528 0.109 19546 4790 1 18 . 1 1 51 51 ILE HA H 51 3.521 3.521 3.689 -0.168 19546 4791 1 18 . 1 1 51 51 ILE CA C 51 65.010 65.010 64.317 0.693 19546 4792 1 18 . 1 1 51 51 ILE CB C 51 37.878 37.878 38.091 -0.213 19546 4793 1 18 . 1 1 51 51 ILE H H 51 7.694 7.694 7.712 -0.018 19546 4794 1 18 . 1 1 52 52 GLN N N 52 118.700 118.700 116.570 2.130 19546 4795 1 18 . 1 1 52 52 GLN HA H 52 3.768 3.768 3.982 -0.214 19546 4796 1 18 . 1 1 52 52 GLN CA C 52 57.616 57.616 56.068 1.548 19546 4797 1 18 . 1 1 52 52 GLN CB C 52 28.095 28.095 27.402 0.693 19546 4798 1 18 . 1 1 52 52 GLN H H 52 7.910 7.910 7.658 0.252 19546 4799 1 18 . 1 1 53 53 ALA N N 53 120.010 120.010 120.712 -0.702 19546 4800 1 18 . 1 1 53 53 ALA HA H 53 4.185 4.185 4.182 0.003 19546 4801 1 18 . 1 1 53 53 ALA CA C 53 53.071 53.071 52.815 0.256 19546 4802 1 18 . 1 1 53 53 ALA CB C 53 18.546 18.546 19.322 -0.776 19546 4803 1 18 . 1 1 53 53 ALA H H 53 7.554 7.554 7.062 0.492 19546 4804 1 18 . 1 1 54 54 GLY N N 54 105.898 105.898 104.552 1.346 19546 4805 1 18 . 1 1 54 54 GLY CA C 54 45.605 45.605 44.845 0.760 19546 4806 1 18 . 1 1 54 54 GLY H H 54 7.692 7.692 7.768 -0.076 19546 4807 1 18 . 1 1 55 55 LEU N N 55 120.793 120.793 117.674 3.119 19546 4808 1 18 . 1 1 55 55 LEU HA H 55 4.352 4.352 5.113 -0.761 19546 4809 1 18 . 1 1 55 55 LEU CA C 55 54.964 54.964 53.480 1.484 19546 4810 1 18 . 1 1 55 55 LEU CB C 55 42.006 42.006 42.713 -0.707 19546 4811 1 18 . 1 1 55 55 LEU H H 55 7.669 7.669 7.755 -0.086 19546 4812 1 18 . 1 1 56 56 THR N N 56 114.129 114.129 110.262 3.867 19546 4813 1 18 . 1 1 56 56 THR HA H 56 4.278 4.278 4.428 -0.150 19546 4814 1 18 . 1 1 56 56 THR CA C 56 61.492 61.492 60.428 1.064 19546 4815 1 18 . 1 1 56 56 THR CB C 56 69.957 69.957 71.205 -1.248 19546 4816 1 18 . 1 1 56 56 THR H H 56 7.928 7.928 7.947 -0.019 19546 4817 1 18 . 1 1 57 57 ALA N N 57 127.280 127.280 124.023 3.257 19546 4818 1 18 . 1 1 57 57 ALA HA H 57 4.178 4.178 4.344 -0.166 19546 4819 1 18 . 1 1 57 57 ALA CA C 57 50.568 50.568 51.601 -1.033 19546 4820 1 18 . 1 1 57 57 ALA CB C 57 17.738 17.738 18.514 -0.776 19546 4821 1 18 . 1 1 57 57 ALA H H 57 8.110 8.110 8.183 -0.073 19546 4822 1 18 . 1 1 58 58 PRO HA H 58 4.279 4.279 4.169 0.110 19546 4823 1 18 . 1 1 58 58 PRO CA C 58 63.266 63.266 63.665 -0.399 19546 4824 1 18 . 1 1 58 58 PRO CB C 58 31.983 31.983 31.916 0.067 19546 4825 1 19 . 1 1 2 2 LEU N N 2 124.364 124.364 125.776 -1.412 19546 4826 1 19 . 1 1 2 2 LEU HA H 2 4.547 4.547 4.692 -0.145 19546 4827 1 19 . 1 1 2 2 LEU CA C 2 54.353 54.353 54.485 -0.132 19546 4828 1 19 . 1 1 2 2 LEU CB C 2 42.514 42.514 42.673 -0.159 19546 4829 1 19 . 1 1 2 2 LEU H H 2 8.494 8.494 8.362 0.132 19546 4830 1 19 . 1 1 3 3 ILE N N 3 130.774 130.774 123.234 7.540 19546 4831 1 19 . 1 1 3 3 ILE HA H 3 5.071 5.071 4.424 0.647 19546 4832 1 19 . 1 1 3 3 ILE CA C 3 60.083 60.083 61.058 -0.975 19546 4833 1 19 . 1 1 3 3 ILE CB C 3 37.710 37.710 39.800 -2.090 19546 4834 1 19 . 1 1 3 3 ILE H H 3 10.676 10.676 8.332 2.344 19546 4835 1 19 . 1 1 4 4 LEU N N 4 122.204 122.204 126.593 -4.389 19546 4836 1 19 . 1 1 4 4 LEU HA H 4 4.535 4.535 4.733 -0.198 19546 4837 1 19 . 1 1 4 4 LEU CA C 4 52.555 52.555 53.836 -1.281 19546 4838 1 19 . 1 1 4 4 LEU CB C 4 47.177 47.177 44.764 2.413 19546 4839 1 19 . 1 1 4 4 LEU H H 4 8.587 8.587 8.319 0.268 19546 4840 1 19 . 1 1 5 5 THR N N 5 119.940 119.940 116.497 3.443 19546 4841 1 19 . 1 1 5 5 THR HA H 5 5.476 5.476 4.682 0.794 19546 4842 1 19 . 1 1 5 5 THR CA C 5 61.923 61.923 61.575 0.348 19546 4843 1 19 . 1 1 5 5 THR CB C 5 68.963 68.963 69.497 -0.534 19546 4844 1 19 . 1 1 5 5 THR H H 5 9.161 9.161 8.273 0.888 19546 4845 1 19 . 1 1 6 6 ARG N N 6 126.862 126.862 124.359 2.503 19546 4846 1 19 . 1 1 6 6 ARG HA H 6 5.023 5.023 4.525 0.498 19546 4847 1 19 . 1 1 6 6 ARG CA C 6 55.325 55.325 55.141 0.185 19546 4848 1 19 . 1 1 6 6 ARG CB C 6 38.076 38.076 33.211 4.865 19546 4849 1 19 . 1 1 6 6 ARG H H 6 9.619 9.619 8.399 1.220 19546 4850 1 19 . 1 1 7 7 LYS N N 7 123.703 123.703 120.996 2.707 19546 4851 1 19 . 1 1 7 7 LYS HA H 7 5.069 5.069 4.632 0.437 19546 4852 1 19 . 1 1 7 7 LYS CA C 7 54.427 54.427 54.972 -0.545 19546 4853 1 19 . 1 1 7 7 LYS CB C 7 34.217 34.217 35.425 -1.208 19546 4854 1 19 . 1 1 7 7 LYS H H 7 9.450 9.450 8.436 1.014 19546 4855 1 19 . 1 1 8 8 VAL N N 8 118.617 118.617 120.982 -2.365 19546 4856 1 19 . 1 1 8 8 VAL HA H 8 3.315 3.315 3.716 -0.401 19546 4857 1 19 . 1 1 8 8 VAL CA C 8 66.050 66.050 63.670 2.380 19546 4858 1 19 . 1 1 8 8 VAL CB C 8 31.491 31.491 30.762 0.729 19546 4859 1 19 . 1 1 8 8 VAL H H 8 7.741 7.741 8.488 -0.747 19546 4860 1 19 . 1 1 9 9 GLY N N 9 116.069 116.069 115.407 0.662 19546 4861 1 19 . 1 1 9 9 GLY CA C 9 44.524 44.524 44.810 -0.286 19546 4862 1 19 . 1 1 9 9 GLY H H 9 9.269 9.269 8.845 0.424 19546 4863 1 19 . 1 1 10 10 GLU N N 10 119.364 119.364 119.235 0.129 19546 4864 1 19 . 1 1 10 10 GLU HA H 10 4.891 4.891 4.823 0.068 19546 4865 1 19 . 1 1 10 10 GLU CA C 10 55.788 55.788 54.225 1.563 19546 4866 1 19 . 1 1 10 10 GLU CB C 10 32.873 32.873 33.015 -0.142 19546 4867 1 19 . 1 1 10 10 GLU H H 10 8.426 8.426 7.969 0.457 19546 4868 1 19 . 1 1 11 11 SER N N 11 112.510 112.510 113.483 -0.973 19546 4869 1 19 . 1 1 11 11 SER HA H 11 5.882 5.882 5.341 0.541 19546 4870 1 19 . 1 1 11 11 SER CA C 11 57.997 57.997 57.158 0.839 19546 4871 1 19 . 1 1 11 11 SER CB C 11 66.884 66.884 66.326 0.558 19546 4872 1 19 . 1 1 11 11 SER H H 11 8.672 8.672 8.370 0.302 19546 4873 1 19 . 1 1 12 12 ILE N N 12 124.592 124.592 120.110 4.482 19546 4874 1 19 . 1 1 12 12 ILE HA H 12 4.365 4.365 4.560 -0.195 19546 4875 1 19 . 1 1 12 12 ILE CA C 12 59.814 59.814 59.028 0.786 19546 4876 1 19 . 1 1 12 12 ILE CB C 12 42.616 42.616 42.335 0.281 19546 4877 1 19 . 1 1 12 12 ILE H H 12 9.265 9.265 8.869 0.396 19546 4878 1 19 . 1 1 13 13 ASN N N 13 126.127 126.127 121.460 4.667 19546 4879 1 19 . 1 1 13 13 ASN HA H 13 4.947 4.947 5.262 -0.315 19546 4880 1 19 . 1 1 13 13 ASN CA C 13 53.571 53.571 52.149 1.422 19546 4881 1 19 . 1 1 13 13 ASN CB C 13 41.491 41.491 41.570 -0.079 19546 4882 1 19 . 1 1 13 13 ASN H H 13 9.318 9.318 8.383 0.935 19546 4883 1 19 . 1 1 14 14 ILE N N 14 123.984 123.984 122.740 1.244 19546 4884 1 19 . 1 1 14 14 ILE HA H 14 4.475 4.475 4.460 0.015 19546 4885 1 19 . 1 1 14 14 ILE CA C 14 60.582 60.582 60.728 -0.146 19546 4886 1 19 . 1 1 14 14 ILE CB C 14 38.573 38.573 41.801 -3.228 19546 4887 1 19 . 1 1 14 14 ILE H H 14 8.392 8.392 8.682 -0.290 19546 4888 1 19 . 1 1 15 15 GLY N N 15 115.533 115.533 112.803 2.730 19546 4889 1 19 . 1 1 15 15 GLY CA C 15 45.893 45.893 46.288 -0.395 19546 4890 1 19 . 1 1 15 15 GLY H H 15 9.148 9.148 8.585 0.563 19546 4891 1 19 . 1 1 16 16 ASP N N 16 121.039 121.039 120.604 0.435 19546 4892 1 19 . 1 1 16 16 ASP HA H 16 4.969 4.969 4.661 0.308 19546 4893 1 19 . 1 1 16 16 ASP CA C 16 55.256 55.256 54.141 1.115 19546 4894 1 19 . 1 1 16 16 ASP CB C 16 42.342 42.342 41.658 0.684 19546 4895 1 19 . 1 1 16 16 ASP H H 16 8.809 8.809 8.356 0.453 19546 4896 1 19 . 1 1 17 17 ASP N N 17 115.538 115.538 120.073 -4.535 19546 4897 1 19 . 1 1 17 17 ASP HA H 17 4.749 4.749 4.876 -0.127 19546 4898 1 19 . 1 1 17 17 ASP CA C 17 54.134 54.134 54.134 0.000 19546 4899 1 19 . 1 1 17 17 ASP CB C 17 42.578 42.578 43.718 -1.140 19546 4900 1 19 . 1 1 17 17 ASP H H 17 8.140 8.140 7.998 0.142 19546 4901 1 19 . 1 1 18 18 ILE N N 18 118.702 118.702 120.018 -1.316 19546 4902 1 19 . 1 1 18 18 ILE HA H 18 5.239 5.239 4.748 0.491 19546 4903 1 19 . 1 1 18 18 ILE CA C 18 60.037 60.037 60.548 -0.511 19546 4904 1 19 . 1 1 18 18 ILE CB C 18 39.755 39.755 41.546 -1.791 19546 4905 1 19 . 1 1 18 18 ILE H H 18 7.183 7.183 7.722 -0.539 19546 4906 1 19 . 1 1 19 19 THR N N 19 122.806 122.806 122.726 0.080 19546 4907 1 19 . 1 1 19 19 THR HA H 19 5.110 5.110 5.041 0.069 19546 4908 1 19 . 1 1 19 19 THR CA C 19 60.845 60.845 61.418 -0.573 19546 4909 1 19 . 1 1 19 19 THR CB C 19 71.703 71.703 72.073 -0.370 19546 4910 1 19 . 1 1 19 19 THR H H 19 8.993 8.993 8.243 0.750 19546 4911 1 19 . 1 1 20 20 ILE N N 20 123.302 123.302 122.223 1.079 19546 4912 1 19 . 1 1 20 20 ILE HA H 20 4.891 4.891 4.920 -0.029 19546 4913 1 19 . 1 1 20 20 ILE CA C 20 58.946 58.946 58.961 -0.015 19546 4914 1 19 . 1 1 20 20 ILE CB C 20 40.382 40.382 41.659 -1.277 19546 4915 1 19 . 1 1 20 20 ILE H H 20 8.918 8.918 9.086 -0.168 19546 4916 1 19 . 1 1 21 21 THR N N 21 123.751 123.751 119.089 4.662 19546 4917 1 19 . 1 1 21 21 THR HA H 21 4.837 4.837 5.039 -0.202 19546 4918 1 19 . 1 1 21 21 THR CA C 21 61.523 61.523 61.398 0.125 19546 4919 1 19 . 1 1 21 21 THR CB C 21 71.939 71.939 72.462 -0.523 19546 4920 1 19 . 1 1 21 21 THR H H 21 9.398 9.398 8.997 0.401 19546 4921 1 19 . 1 1 22 22 ILE N N 22 125.736 125.736 126.323 -0.587 19546 4922 1 19 . 1 1 22 22 ILE HA H 22 4.119 4.119 4.515 -0.396 19546 4923 1 19 . 1 1 22 22 ILE CA C 22 59.111 59.111 58.659 0.452 19546 4924 1 19 . 1 1 22 22 ILE CB C 22 33.929 33.929 38.625 -4.696 19546 4925 1 19 . 1 1 22 22 ILE H H 22 8.053 8.053 8.381 -0.328 19546 4926 1 19 . 1 1 23 23 LEU N N 23 129.499 129.499 129.250 0.249 19546 4927 1 19 . 1 1 23 23 LEU HA H 23 4.529 4.529 4.419 0.110 19546 4928 1 19 . 1 1 23 23 LEU CA C 23 55.574 55.574 55.953 -0.379 19546 4929 1 19 . 1 1 23 23 LEU CB C 23 41.923 41.923 42.076 -0.153 19546 4930 1 19 . 1 1 23 23 LEU H H 23 8.890 8.890 8.448 0.442 19546 4931 1 19 . 1 1 24 24 GLY N N 24 104.858 104.858 103.820 1.038 19546 4932 1 19 . 1 1 24 24 GLY CA C 24 46.001 46.001 45.060 0.941 19546 4933 1 19 . 1 1 24 24 GLY H H 24 7.565 7.565 7.707 -0.142 19546 4934 1 19 . 1 1 25 25 VAL N N 25 120.794 120.794 115.362 5.432 19546 4935 1 19 . 1 1 25 25 VAL HA H 25 4.670 4.670 4.651 0.019 19546 4936 1 19 . 1 1 25 25 VAL CA C 25 61.459 61.459 59.023 2.436 19546 4937 1 19 . 1 1 25 25 VAL CB C 25 35.692 35.692 35.072 0.620 19546 4938 1 19 . 1 1 25 25 VAL H H 25 8.477 8.477 8.315 0.162 19546 4939 1 19 . 1 1 26 26 SER N N 26 122.022 122.022 116.970 5.052 19546 4940 1 19 . 1 1 26 26 SER HA H 26 4.691 4.691 4.590 0.101 19546 4941 1 19 . 1 1 26 26 SER CA C 26 56.322 56.322 57.995 -1.673 19546 4942 1 19 . 1 1 26 26 SER CB C 26 63.731 63.731 63.626 0.105 19546 4943 1 19 . 1 1 26 26 SER H H 26 8.619 8.619 8.823 -0.204 19546 4944 1 19 . 1 1 27 27 GLY N N 27 118.775 118.775 112.663 6.112 19546 4945 1 19 . 1 1 27 27 GLY CA C 27 47.626 47.626 45.807 1.819 19546 4946 1 19 . 1 1 27 27 GLY H H 27 8.969 8.969 8.312 0.657 19546 4947 1 19 . 1 1 28 28 GLN N N 28 124.390 124.390 124.613 -0.223 19546 4948 1 19 . 1 1 28 28 GLN HA H 28 4.324 4.324 4.195 0.129 19546 4949 1 19 . 1 1 28 28 GLN CA C 28 54.980 54.980 56.622 -1.642 19546 4950 1 19 . 1 1 28 28 GLN CB C 28 29.553 29.553 29.041 0.512 19546 4951 1 19 . 1 1 28 28 GLN H H 28 8.761 8.761 8.723 0.038 19546 4952 1 19 . 1 1 29 29 GLN N N 29 116.885 116.885 117.686 -0.801 19546 4953 1 19 . 1 1 29 29 GLN HA H 29 4.651 4.651 4.659 -0.008 19546 4954 1 19 . 1 1 29 29 GLN CA C 29 55.364 55.364 54.618 0.746 19546 4955 1 19 . 1 1 29 29 GLN CB C 29 31.289 31.289 32.397 -1.108 19546 4956 1 19 . 1 1 29 29 GLN H H 29 8.307 8.307 7.442 0.865 19546 4957 1 19 . 1 1 30 30 VAL N N 30 123.399 123.399 118.937 4.462 19546 4958 1 19 . 1 1 30 30 VAL HA H 30 4.602 4.602 4.237 0.365 19546 4959 1 19 . 1 1 30 30 VAL CA C 30 60.710 60.710 61.600 -0.890 19546 4960 1 19 . 1 1 30 30 VAL CB C 30 34.560 34.560 35.363 -0.803 19546 4961 1 19 . 1 1 30 30 VAL H H 30 9.103 9.103 8.356 0.747 19546 4962 1 19 . 1 1 31 31 ARG N N 31 128.722 128.722 125.993 2.729 19546 4963 1 19 . 1 1 31 31 ARG HA H 31 4.659 4.659 4.851 -0.192 19546 4964 1 19 . 1 1 31 31 ARG CA C 31 55.755 55.755 54.414 1.341 19546 4965 1 19 . 1 1 31 31 ARG CB C 31 31.871 31.871 31.634 0.237 19546 4966 1 19 . 1 1 31 31 ARG H H 31 8.750 8.750 8.648 0.102 19546 4967 1 19 . 1 1 32 32 ILE N N 32 127.760 127.760 119.625 8.135 19546 4968 1 19 . 1 1 32 32 ILE HA H 32 4.652 4.652 5.089 -0.437 19546 4969 1 19 . 1 1 32 32 ILE CA C 32 59.738 59.738 58.835 0.903 19546 4970 1 19 . 1 1 32 32 ILE CB C 32 41.082 41.082 42.190 -1.108 19546 4971 1 19 . 1 1 32 32 ILE H H 32 9.069 9.069 8.520 0.549 19546 4972 1 19 . 1 1 33 33 GLY N N 33 112.098 112.098 109.314 2.784 19546 4973 1 19 . 1 1 33 33 GLY CA C 33 44.565 44.565 43.939 0.626 19546 4974 1 19 . 1 1 33 33 GLY H H 33 9.075 9.075 8.766 0.309 19546 4975 1 19 . 1 1 34 34 ILE N N 34 124.988 124.988 119.271 5.717 19546 4976 1 19 . 1 1 34 34 ILE HA H 34 4.863 4.863 4.600 0.263 19546 4977 1 19 . 1 1 34 34 ILE CA C 34 61.053 61.053 60.474 0.579 19546 4978 1 19 . 1 1 34 34 ILE CB C 34 41.339 41.339 42.200 -0.861 19546 4979 1 19 . 1 1 34 34 ILE H H 34 9.654 9.654 8.252 1.402 19546 4980 1 19 . 1 1 35 35 ASN N N 35 129.566 129.566 123.835 5.731 19546 4981 1 19 . 1 1 35 35 ASN HA H 35 5.102 5.102 4.968 0.134 19546 4982 1 19 . 1 1 35 35 ASN CA C 35 52.166 52.166 52.694 -0.528 19546 4983 1 19 . 1 1 35 35 ASN CB C 35 40.191 40.191 39.357 0.834 19546 4984 1 19 . 1 1 35 35 ASN H H 35 9.013 9.013 9.017 -0.004 19546 4985 1 19 . 1 1 36 36 ALA N N 36 125.469 125.469 124.502 0.967 19546 4986 1 19 . 1 1 36 36 ALA HA H 36 5.066 5.066 5.268 -0.202 19546 4987 1 19 . 1 1 36 36 ALA CA C 36 49.445 49.445 48.620 0.825 19546 4988 1 19 . 1 1 36 36 ALA CB C 36 19.884 19.884 20.297 -0.413 19546 4989 1 19 . 1 1 36 36 ALA H H 36 8.205 8.205 7.756 0.449 19546 4990 1 19 . 1 1 37 37 PRO HA H 37 4.415 4.415 4.665 -0.250 19546 4991 1 19 . 1 1 37 37 PRO CA C 37 62.961 62.961 62.399 0.562 19546 4992 1 19 . 1 1 37 37 PRO CB C 37 32.374 32.374 32.295 0.079 19546 4993 1 19 . 1 1 38 38 LYS N N 38 121.088 121.088 120.648 0.440 19546 4994 1 19 . 1 1 38 38 LYS HA H 38 3.794 3.794 4.110 -0.316 19546 4995 1 19 . 1 1 38 38 LYS CA C 38 58.747 58.747 58.108 0.638 19546 4996 1 19 . 1 1 38 38 LYS CB C 38 31.857 31.857 32.240 -0.383 19546 4997 1 19 . 1 1 38 38 LYS H H 38 8.581 8.581 8.642 -0.061 19546 4998 1 19 . 1 1 39 39 ASP N N 39 113.879 113.879 117.394 -3.515 19546 4999 1 19 . 1 1 39 39 ASP HA H 39 4.364 4.364 4.603 -0.239 19546 5000 1 19 . 1 1 39 39 ASP CA C 39 54.027 54.027 55.241 -1.214 19546 5001 1 19 . 1 1 39 39 ASP CB C 39 39.749 39.749 41.218 -1.469 19546 5002 1 19 . 1 1 39 39 ASP H H 39 8.164 8.164 8.006 0.158 19546 5003 1 19 . 1 1 40 40 VAL N N 40 122.755 122.755 116.821 5.934 19546 5004 1 19 . 1 1 40 40 VAL HA H 40 3.975 3.975 4.407 -0.432 19546 5005 1 19 . 1 1 40 40 VAL CA C 40 61.937 61.937 60.085 1.852 19546 5006 1 19 . 1 1 40 40 VAL CB C 40 31.941 31.941 34.136 -2.195 19546 5007 1 19 . 1 1 40 40 VAL H H 40 8.053 8.053 7.510 0.543 19546 5008 1 19 . 1 1 41 41 ALA N N 41 133.718 133.718 127.346 6.372 19546 5009 1 19 . 1 1 41 41 ALA HA H 41 4.445 4.445 4.393 0.052 19546 5010 1 19 . 1 1 41 41 ALA CA C 41 52.269 52.269 52.523 -0.254 19546 5011 1 19 . 1 1 41 41 ALA CB C 41 19.053 19.053 19.304 -0.251 19546 5012 1 19 . 1 1 41 41 ALA H H 41 8.927 8.927 8.230 0.697 19546 5013 1 19 . 1 1 42 42 VAL N N 42 125.374 125.374 124.460 0.914 19546 5014 1 19 . 1 1 42 42 VAL HA H 42 4.384 4.384 4.449 -0.065 19546 5015 1 19 . 1 1 42 42 VAL CA C 42 60.485 60.485 63.300 -2.815 19546 5016 1 19 . 1 1 42 42 VAL CB C 42 33.636 33.636 33.726 -0.090 19546 5017 1 19 . 1 1 42 42 VAL H H 42 7.899 7.899 8.717 -0.818 19546 5018 1 19 . 1 1 43 43 HIS N N 43 118.709 118.709 125.677 -6.968 19546 5019 1 19 . 1 1 43 43 HIS HA H 43 5.505 5.505 5.081 0.424 19546 5020 1 19 . 1 1 43 43 HIS CA C 43 53.758 53.758 55.280 -1.522 19546 5021 1 19 . 1 1 43 43 HIS CB C 43 37.671 37.671 32.541 5.130 19546 5022 1 19 . 1 1 43 43 HIS H H 43 8.580 8.580 8.214 0.366 19546 5023 1 19 . 1 1 44 44 ARG N N 44 121.721 121.721 121.555 0.166 19546 5024 1 19 . 1 1 44 44 ARG HA H 44 3.923 3.923 4.594 -0.671 19546 5025 1 19 . 1 1 44 44 ARG CA C 44 58.392 58.392 55.891 2.501 19546 5026 1 19 . 1 1 44 44 ARG H H 44 8.396 8.396 8.670 -0.274 19546 5027 1 19 . 1 1 45 45 GLU N N 45 126.002 126.002 122.911 3.091 19546 5028 1 19 . 1 1 45 45 GLU HA H 45 4.384 4.384 4.116 0.268 19546 5029 1 19 . 1 1 45 45 GLU CA C 45 59.792 59.792 59.119 0.673 19546 5030 1 19 . 1 1 45 45 GLU CB C 45 29.945 29.945 28.801 1.144 19546 5031 1 19 . 1 1 45 45 GLU H H 45 7.892 7.892 8.881 -0.989 19546 5032 1 19 . 1 1 46 46 GLU N N 46 118.201 118.201 118.495 -0.294 19546 5033 1 19 . 1 1 46 46 GLU HA H 46 4.212 4.212 4.204 0.008 19546 5034 1 19 . 1 1 46 46 GLU CA C 46 58.717 58.717 58.236 0.481 19546 5035 1 19 . 1 1 46 46 GLU CB C 46 27.031 27.031 29.214 -2.183 19546 5036 1 19 . 1 1 46 46 GLU H H 46 10.804 10.804 8.779 2.025 19546 5037 1 19 . 1 1 47 47 ILE N N 47 122.295 122.295 117.243 5.052 19546 5038 1 19 . 1 1 47 47 ILE HA H 47 3.526 3.526 4.139 -0.613 19546 5039 1 19 . 1 1 47 47 ILE CA C 47 60.756 60.756 62.026 -1.270 19546 5040 1 19 . 1 1 47 47 ILE CB C 47 34.770 34.770 40.003 -5.233 19546 5041 1 19 . 1 1 47 47 ILE H H 47 7.177 7.177 7.777 -0.600 19546 5042 1 19 . 1 1 48 48 TYR N N 48 122.359 122.359 121.975 0.384 19546 5043 1 19 . 1 1 48 48 TYR HA H 48 3.542 3.542 3.897 -0.355 19546 5044 1 19 . 1 1 48 48 TYR CA C 48 62.507 62.507 62.859 -0.352 19546 5045 1 19 . 1 1 48 48 TYR CB C 48 39.069 39.069 38.832 0.237 19546 5046 1 19 . 1 1 48 48 TYR H H 48 7.949 7.949 8.769 -0.820 19546 5047 1 19 . 1 1 49 49 GLN N N 49 115.099 115.099 115.356 -0.257 19546 5048 1 19 . 1 1 49 49 GLN HA H 49 3.821 3.821 4.100 -0.279 19546 5049 1 19 . 1 1 49 49 GLN CA C 49 58.633 58.633 57.623 1.010 19546 5050 1 19 . 1 1 49 49 GLN CB C 49 28.038 28.038 28.820 -0.782 19546 5051 1 19 . 1 1 49 49 GLN H H 49 8.597 8.597 7.980 0.617 19546 5052 1 19 . 1 1 50 50 ARG N N 50 120.635 120.635 117.598 3.037 19546 5053 1 19 . 1 1 50 50 ARG HA H 50 3.938 3.938 4.264 -0.326 19546 5054 1 19 . 1 1 50 50 ARG CA C 50 59.616 59.616 57.675 1.941 19546 5055 1 19 . 1 1 50 50 ARG CB C 50 30.462 30.462 30.874 -0.412 19546 5056 1 19 . 1 1 50 50 ARG H H 50 7.134 7.134 7.626 -0.492 19546 5057 1 19 . 1 1 51 51 ILE N N 51 120.637 120.637 121.963 -1.326 19546 5058 1 19 . 1 1 51 51 ILE HA H 51 3.521 3.521 3.702 -0.181 19546 5059 1 19 . 1 1 51 51 ILE CA C 51 65.010 65.010 64.521 0.489 19546 5060 1 19 . 1 1 51 51 ILE CB C 51 37.878 37.878 38.026 -0.148 19546 5061 1 19 . 1 1 51 51 ILE H H 51 7.694 7.694 7.692 0.002 19546 5062 1 19 . 1 1 52 52 GLN N N 52 118.700 118.700 116.374 2.326 19546 5063 1 19 . 1 1 52 52 GLN HA H 52 3.768 3.768 3.986 -0.218 19546 5064 1 19 . 1 1 52 52 GLN CA C 52 57.616 57.616 55.997 1.619 19546 5065 1 19 . 1 1 52 52 GLN CB C 52 28.095 28.095 27.308 0.787 19546 5066 1 19 . 1 1 52 52 GLN H H 52 7.910 7.910 7.570 0.340 19546 5067 1 19 . 1 1 53 53 ALA N N 53 120.010 120.010 120.916 -0.906 19546 5068 1 19 . 1 1 53 53 ALA HA H 53 4.185 4.185 4.188 -0.003 19546 5069 1 19 . 1 1 53 53 ALA CA C 53 53.071 53.071 52.826 0.245 19546 5070 1 19 . 1 1 53 53 ALA CB C 53 18.546 18.546 19.399 -0.853 19546 5071 1 19 . 1 1 53 53 ALA H H 53 7.554 7.554 7.069 0.485 19546 5072 1 19 . 1 1 54 54 GLY N N 54 105.898 105.898 104.713 1.185 19546 5073 1 19 . 1 1 54 54 GLY CA C 54 45.605 45.605 44.815 0.790 19546 5074 1 19 . 1 1 54 54 GLY H H 54 7.692 7.692 7.782 -0.090 19546 5075 1 19 . 1 1 55 55 LEU N N 55 120.793 120.793 118.205 2.588 19546 5076 1 19 . 1 1 55 55 LEU HA H 55 4.352 4.352 5.103 -0.751 19546 5077 1 19 . 1 1 55 55 LEU CA C 55 54.964 54.964 53.567 1.397 19546 5078 1 19 . 1 1 55 55 LEU CB C 55 42.006 42.006 42.780 -0.774 19546 5079 1 19 . 1 1 55 55 LEU H H 55 7.669 7.669 7.689 -0.020 19546 5080 1 19 . 1 1 56 56 THR N N 56 114.129 114.129 110.044 4.085 19546 5081 1 19 . 1 1 56 56 THR HA H 56 4.278 4.278 4.491 -0.213 19546 5082 1 19 . 1 1 56 56 THR CA C 56 61.492 61.492 60.345 1.147 19546 5083 1 19 . 1 1 56 56 THR CB C 56 69.957 69.957 70.862 -0.905 19546 5084 1 19 . 1 1 56 56 THR H H 56 7.928 7.928 7.791 0.137 19546 5085 1 19 . 1 1 57 57 ALA N N 57 127.280 127.280 123.796 3.484 19546 5086 1 19 . 1 1 57 57 ALA HA H 57 4.178 4.178 4.408 -0.230 19546 5087 1 19 . 1 1 57 57 ALA CA C 57 50.568 50.568 51.622 -1.054 19546 5088 1 19 . 1 1 57 57 ALA CB C 57 17.738 17.738 18.270 -0.532 19546 5089 1 19 . 1 1 57 57 ALA H H 57 8.110 8.110 8.238 -0.128 19546 5090 1 19 . 1 1 58 58 PRO HA H 58 4.279 4.279 4.656 -0.377 19546 5091 1 19 . 1 1 58 58 PRO CA C 58 63.266 63.266 62.092 1.174 19546 5092 1 19 . 1 1 58 58 PRO CB C 58 31.983 31.983 32.744 -0.761 19546 5093 1 20 . 1 1 2 2 LEU N N 2 124.364 124.364 126.340 -1.976 19546 5094 1 20 . 1 1 2 2 LEU HA H 2 4.547 4.547 4.602 -0.055 19546 5095 1 20 . 1 1 2 2 LEU CA C 2 54.353 54.353 54.704 -0.351 19546 5096 1 20 . 1 1 2 2 LEU CB C 2 42.514 42.514 42.530 -0.016 19546 5097 1 20 . 1 1 2 2 LEU H H 2 8.494 8.494 8.365 0.129 19546 5098 1 20 . 1 1 3 3 ILE N N 3 130.774 130.774 123.674 7.100 19546 5099 1 20 . 1 1 3 3 ILE HA H 3 5.071 5.071 4.447 0.624 19546 5100 1 20 . 1 1 3 3 ILE CA C 3 60.083 60.083 60.660 -0.577 19546 5101 1 20 . 1 1 3 3 ILE CB C 3 37.710 37.710 39.809 -2.099 19546 5102 1 20 . 1 1 3 3 ILE H H 3 10.676 10.676 8.334 2.342 19546 5103 1 20 . 1 1 4 4 LEU N N 4 122.204 122.204 125.346 -3.142 19546 5104 1 20 . 1 1 4 4 LEU HA H 4 4.535 4.535 4.714 -0.179 19546 5105 1 20 . 1 1 4 4 LEU CA C 4 52.555 52.555 53.816 -1.261 19546 5106 1 20 . 1 1 4 4 LEU CB C 4 47.177 47.177 44.773 2.404 19546 5107 1 20 . 1 1 4 4 LEU H H 4 8.587 8.587 8.375 0.212 19546 5108 1 20 . 1 1 5 5 THR N N 5 119.940 119.940 116.484 3.456 19546 5109 1 20 . 1 1 5 5 THR HA H 5 5.476 5.476 4.683 0.793 19546 5110 1 20 . 1 1 5 5 THR CA C 5 61.923 61.923 61.618 0.305 19546 5111 1 20 . 1 1 5 5 THR CB C 5 68.963 68.963 69.461 -0.498 19546 5112 1 20 . 1 1 5 5 THR H H 5 9.161 9.161 8.265 0.896 19546 5113 1 20 . 1 1 6 6 ARG N N 6 126.862 126.862 124.607 2.255 19546 5114 1 20 . 1 1 6 6 ARG HA H 6 5.023 5.023 4.595 0.428 19546 5115 1 20 . 1 1 6 6 ARG CA C 6 55.325 55.325 55.039 0.286 19546 5116 1 20 . 1 1 6 6 ARG CB C 6 38.076 38.076 33.309 4.767 19546 5117 1 20 . 1 1 6 6 ARG H H 6 9.619 9.619 8.414 1.205 19546 5118 1 20 . 1 1 7 7 LYS N N 7 123.703 123.703 120.966 2.737 19546 5119 1 20 . 1 1 7 7 LYS HA H 7 5.069 5.069 4.614 0.455 19546 5120 1 20 . 1 1 7 7 LYS CA C 7 54.427 54.427 54.996 -0.569 19546 5121 1 20 . 1 1 7 7 LYS CB C 7 34.217 34.217 35.535 -1.318 19546 5122 1 20 . 1 1 7 7 LYS H H 7 9.450 9.450 8.426 1.024 19546 5123 1 20 . 1 1 8 8 VAL N N 8 118.617 118.617 121.023 -2.406 19546 5124 1 20 . 1 1 8 8 VAL HA H 8 3.315 3.315 3.741 -0.426 19546 5125 1 20 . 1 1 8 8 VAL CA C 8 66.050 66.050 63.661 2.389 19546 5126 1 20 . 1 1 8 8 VAL CB C 8 31.491 31.491 30.817 0.674 19546 5127 1 20 . 1 1 8 8 VAL H H 8 7.741 7.741 8.482 -0.741 19546 5128 1 20 . 1 1 9 9 GLY N N 9 116.069 116.069 115.407 0.662 19546 5129 1 20 . 1 1 9 9 GLY CA C 9 44.524 44.524 44.799 -0.275 19546 5130 1 20 . 1 1 9 9 GLY H H 9 9.269 9.269 8.811 0.458 19546 5131 1 20 . 1 1 10 10 GLU N N 10 119.364 119.364 119.212 0.152 19546 5132 1 20 . 1 1 10 10 GLU HA H 10 4.891 4.891 4.823 0.068 19546 5133 1 20 . 1 1 10 10 GLU CA C 10 55.788 55.788 54.198 1.590 19546 5134 1 20 . 1 1 10 10 GLU CB C 10 32.873 32.873 33.025 -0.152 19546 5135 1 20 . 1 1 10 10 GLU H H 10 8.426 8.426 7.973 0.453 19546 5136 1 20 . 1 1 11 11 SER N N 11 112.510 112.510 113.482 -0.972 19546 5137 1 20 . 1 1 11 11 SER HA H 11 5.882 5.882 5.447 0.435 19546 5138 1 20 . 1 1 11 11 SER CA C 11 57.997 57.997 57.203 0.794 19546 5139 1 20 . 1 1 11 11 SER CB C 11 66.884 66.884 66.362 0.522 19546 5140 1 20 . 1 1 11 11 SER H H 11 8.672 8.672 8.400 0.272 19546 5141 1 20 . 1 1 12 12 ILE N N 12 124.592 124.592 120.260 4.332 19546 5142 1 20 . 1 1 12 12 ILE HA H 12 4.365 4.365 4.548 -0.183 19546 5143 1 20 . 1 1 12 12 ILE CA C 12 59.814 59.814 59.292 0.522 19546 5144 1 20 . 1 1 12 12 ILE CB C 12 42.616 42.616 42.282 0.334 19546 5145 1 20 . 1 1 12 12 ILE H H 12 9.265 9.265 8.947 0.318 19546 5146 1 20 . 1 1 13 13 ASN N N 13 126.127 126.127 120.449 5.678 19546 5147 1 20 . 1 1 13 13 ASN HA H 13 4.947 4.947 5.260 -0.313 19546 5148 1 20 . 1 1 13 13 ASN CA C 13 53.571 53.571 52.587 0.984 19546 5149 1 20 . 1 1 13 13 ASN CB C 13 41.491 41.491 41.952 -0.461 19546 5150 1 20 . 1 1 13 13 ASN H H 13 9.318 9.318 8.489 0.829 19546 5151 1 20 . 1 1 14 14 ILE N N 14 123.984 123.984 121.056 2.928 19546 5152 1 20 . 1 1 14 14 ILE HA H 14 4.475 4.475 4.473 0.002 19546 5153 1 20 . 1 1 14 14 ILE CA C 14 60.582 60.582 60.633 -0.051 19546 5154 1 20 . 1 1 14 14 ILE CB C 14 38.573 38.573 41.708 -3.135 19546 5155 1 20 . 1 1 14 14 ILE H H 14 8.392 8.392 8.644 -0.252 19546 5156 1 20 . 1 1 15 15 GLY N N 15 115.533 115.533 112.488 3.045 19546 5157 1 20 . 1 1 15 15 GLY CA C 15 45.893 45.893 46.453 -0.560 19546 5158 1 20 . 1 1 15 15 GLY H H 15 9.148 9.148 8.590 0.558 19546 5159 1 20 . 1 1 16 16 ASP N N 16 121.039 121.039 121.732 -0.693 19546 5160 1 20 . 1 1 16 16 ASP HA H 16 4.969 4.969 4.733 0.236 19546 5161 1 20 . 1 1 16 16 ASP CA C 16 55.256 55.256 54.386 0.870 19546 5162 1 20 . 1 1 16 16 ASP CB C 16 42.342 42.342 41.428 0.914 19546 5163 1 20 . 1 1 16 16 ASP H H 16 8.809 8.809 8.274 0.535 19546 5164 1 20 . 1 1 17 17 ASP N N 17 115.538 115.538 119.306 -3.768 19546 5165 1 20 . 1 1 17 17 ASP HA H 17 4.749 4.749 4.801 -0.052 19546 5166 1 20 . 1 1 17 17 ASP CA C 17 54.134 54.134 54.087 0.047 19546 5167 1 20 . 1 1 17 17 ASP CB C 17 42.578 42.578 43.462 -0.884 19546 5168 1 20 . 1 1 17 17 ASP H H 17 8.140 8.140 8.013 0.127 19546 5169 1 20 . 1 1 18 18 ILE N N 18 118.702 118.702 119.723 -1.021 19546 5170 1 20 . 1 1 18 18 ILE HA H 18 5.239 5.239 4.792 0.447 19546 5171 1 20 . 1 1 18 18 ILE CA C 18 60.037 60.037 60.418 -0.381 19546 5172 1 20 . 1 1 18 18 ILE CB C 18 39.755 39.755 42.022 -2.267 19546 5173 1 20 . 1 1 18 18 ILE H H 18 7.183 7.183 7.639 -0.456 19546 5174 1 20 . 1 1 19 19 THR N N 19 122.806 122.806 122.117 0.689 19546 5175 1 20 . 1 1 19 19 THR HA H 19 5.110 5.110 5.035 0.075 19546 5176 1 20 . 1 1 19 19 THR CA C 19 60.845 60.845 61.648 -0.803 19546 5177 1 20 . 1 1 19 19 THR CB C 19 71.703 71.703 72.109 -0.406 19546 5178 1 20 . 1 1 19 19 THR H H 19 8.993 8.993 8.264 0.729 19546 5179 1 20 . 1 1 20 20 ILE N N 20 123.302 123.302 122.777 0.525 19546 5180 1 20 . 1 1 20 20 ILE HA H 20 4.891 4.891 4.914 -0.023 19546 5181 1 20 . 1 1 20 20 ILE CA C 20 58.946 58.946 59.174 -0.228 19546 5182 1 20 . 1 1 20 20 ILE CB C 20 40.382 40.382 41.799 -1.417 19546 5183 1 20 . 1 1 20 20 ILE H H 20 8.918 8.918 9.116 -0.198 19546 5184 1 20 . 1 1 21 21 THR N N 21 123.751 123.751 119.053 4.698 19546 5185 1 20 . 1 1 21 21 THR HA H 21 4.837 4.837 5.028 -0.191 19546 5186 1 20 . 1 1 21 21 THR CA C 21 61.523 61.523 61.498 0.025 19546 5187 1 20 . 1 1 21 21 THR CB C 21 71.939 71.939 72.593 -0.654 19546 5188 1 20 . 1 1 21 21 THR H H 21 9.398 9.398 8.918 0.480 19546 5189 1 20 . 1 1 22 22 ILE N N 22 125.736 125.736 126.353 -0.617 19546 5190 1 20 . 1 1 22 22 ILE HA H 22 4.119 4.119 4.520 -0.401 19546 5191 1 20 . 1 1 22 22 ILE CA C 22 59.111 59.111 58.618 0.493 19546 5192 1 20 . 1 1 22 22 ILE CB C 22 33.929 33.929 38.350 -4.421 19546 5193 1 20 . 1 1 22 22 ILE H H 22 8.053 8.053 8.360 -0.307 19546 5194 1 20 . 1 1 23 23 LEU N N 23 129.499 129.499 128.997 0.502 19546 5195 1 20 . 1 1 23 23 LEU HA H 23 4.529 4.529 4.373 0.156 19546 5196 1 20 . 1 1 23 23 LEU CA C 23 55.574 55.574 55.947 -0.373 19546 5197 1 20 . 1 1 23 23 LEU CB C 23 41.923 41.923 41.944 -0.021 19546 5198 1 20 . 1 1 23 23 LEU H H 23 8.890 8.890 8.424 0.466 19546 5199 1 20 . 1 1 24 24 GLY N N 24 104.858 104.858 103.328 1.530 19546 5200 1 20 . 1 1 24 24 GLY CA C 24 46.001 46.001 45.169 0.832 19546 5201 1 20 . 1 1 24 24 GLY H H 24 7.565 7.565 7.718 -0.153 19546 5202 1 20 . 1 1 25 25 VAL N N 25 120.794 120.794 119.167 1.627 19546 5203 1 20 . 1 1 25 25 VAL HA H 25 4.670 4.670 4.492 0.178 19546 5204 1 20 . 1 1 25 25 VAL CA C 25 61.459 61.459 59.605 1.853 19546 5205 1 20 . 1 1 25 25 VAL CB C 25 35.692 35.692 34.985 0.707 19546 5206 1 20 . 1 1 25 25 VAL H H 25 8.477 8.477 8.281 0.196 19546 5207 1 20 . 1 1 26 26 SER N N 26 122.022 122.022 121.495 0.527 19546 5208 1 20 . 1 1 26 26 SER HA H 26 4.691 4.691 4.658 0.033 19546 5209 1 20 . 1 1 26 26 SER CA C 26 56.322 56.322 57.858 -1.536 19546 5210 1 20 . 1 1 26 26 SER CB C 26 63.731 63.731 63.829 -0.098 19546 5211 1 20 . 1 1 26 26 SER H H 26 8.619 8.619 8.729 -0.110 19546 5212 1 20 . 1 1 27 27 GLY N N 27 118.775 118.775 112.177 6.598 19546 5213 1 20 . 1 1 27 27 GLY CA C 27 47.626 47.626 45.701 1.925 19546 5214 1 20 . 1 1 27 27 GLY H H 27 8.969 8.969 8.160 0.809 19546 5215 1 20 . 1 1 28 28 GLN N N 28 124.390 124.390 124.558 -0.168 19546 5216 1 20 . 1 1 28 28 GLN HA H 28 4.324 4.324 4.234 0.090 19546 5217 1 20 . 1 1 28 28 GLN CA C 28 54.980 54.980 56.604 -1.624 19546 5218 1 20 . 1 1 28 28 GLN CB C 28 29.553 29.553 28.956 0.597 19546 5219 1 20 . 1 1 28 28 GLN H H 28 8.761 8.761 8.646 0.115 19546 5220 1 20 . 1 1 29 29 GLN N N 29 116.885 116.885 118.347 -1.462 19546 5221 1 20 . 1 1 29 29 GLN HA H 29 4.651 4.651 4.555 0.096 19546 5222 1 20 . 1 1 29 29 GLN CA C 29 55.364 55.364 55.206 0.158 19546 5223 1 20 . 1 1 29 29 GLN CB C 29 31.289 31.289 31.294 -0.005 19546 5224 1 20 . 1 1 29 29 GLN H H 29 8.307 8.307 7.495 0.812 19546 5225 1 20 . 1 1 30 30 VAL N N 30 123.399 123.399 119.391 4.008 19546 5226 1 20 . 1 1 30 30 VAL HA H 30 4.602 4.602 4.222 0.380 19546 5227 1 20 . 1 1 30 30 VAL CA C 30 60.710 60.710 61.661 -0.951 19546 5228 1 20 . 1 1 30 30 VAL CB C 30 34.560 34.560 35.049 -0.489 19546 5229 1 20 . 1 1 30 30 VAL H H 30 9.103 9.103 8.352 0.751 19546 5230 1 20 . 1 1 31 31 ARG N N 31 128.722 128.722 126.427 2.295 19546 5231 1 20 . 1 1 31 31 ARG HA H 31 4.659 4.659 4.832 -0.173 19546 5232 1 20 . 1 1 31 31 ARG CA C 31 55.755 55.755 54.456 1.299 19546 5233 1 20 . 1 1 31 31 ARG CB C 31 31.871 31.871 31.226 0.645 19546 5234 1 20 . 1 1 31 31 ARG H H 31 8.750 8.750 8.533 0.217 19546 5235 1 20 . 1 1 32 32 ILE N N 32 127.760 127.760 119.514 8.246 19546 5236 1 20 . 1 1 32 32 ILE HA H 32 4.652 4.652 5.142 -0.490 19546 5237 1 20 . 1 1 32 32 ILE CA C 32 59.738 59.738 58.864 0.874 19546 5238 1 20 . 1 1 32 32 ILE CB C 32 41.082 41.082 42.167 -1.085 19546 5239 1 20 . 1 1 32 32 ILE H H 32 9.069 9.069 8.491 0.578 19546 5240 1 20 . 1 1 33 33 GLY N N 33 112.098 112.098 108.767 3.331 19546 5241 1 20 . 1 1 33 33 GLY CA C 33 44.565 44.565 44.132 0.433 19546 5242 1 20 . 1 1 33 33 GLY H H 33 9.075 9.075 8.791 0.284 19546 5243 1 20 . 1 1 34 34 ILE N N 34 124.988 124.988 119.100 5.888 19546 5244 1 20 . 1 1 34 34 ILE HA H 34 4.863 4.863 4.884 -0.021 19546 5245 1 20 . 1 1 34 34 ILE CA C 34 61.053 61.053 59.694 1.359 19546 5246 1 20 . 1 1 34 34 ILE CB C 34 41.339 41.339 42.026 -0.687 19546 5247 1 20 . 1 1 34 34 ILE H H 34 9.654 9.654 8.170 1.484 19546 5248 1 20 . 1 1 35 35 ASN N N 35 129.566 129.566 125.343 4.223 19546 5249 1 20 . 1 1 35 35 ASN HA H 35 5.102 5.102 4.953 0.149 19546 5250 1 20 . 1 1 35 35 ASN CA C 35 52.166 52.166 52.462 -0.296 19546 5251 1 20 . 1 1 35 35 ASN CB C 35 40.191 40.191 39.274 0.917 19546 5252 1 20 . 1 1 35 35 ASN H H 35 9.013 9.013 8.871 0.141 19546 5253 1 20 . 1 1 36 36 ALA N N 36 125.469 125.469 125.718 -0.249 19546 5254 1 20 . 1 1 36 36 ALA HA H 36 5.066 5.066 5.284 -0.218 19546 5255 1 20 . 1 1 36 36 ALA CA C 36 49.445 49.445 48.902 0.543 19546 5256 1 20 . 1 1 36 36 ALA CB C 36 19.884 19.884 20.669 -0.785 19546 5257 1 20 . 1 1 36 36 ALA H H 36 8.205 8.205 7.795 0.410 19546 5258 1 20 . 1 1 37 37 PRO HA H 37 4.415 4.415 4.555 -0.140 19546 5259 1 20 . 1 1 37 37 PRO CA C 37 62.961 62.961 62.267 0.694 19546 5260 1 20 . 1 1 37 37 PRO CB C 37 32.374 32.374 33.149 -0.775 19546 5261 1 20 . 1 1 38 38 LYS N N 38 121.088 121.088 120.375 0.713 19546 5262 1 20 . 1 1 38 38 LYS HA H 38 3.794 3.794 4.141 -0.347 19546 5263 1 20 . 1 1 38 38 LYS CA C 38 58.747 58.747 57.829 0.918 19546 5264 1 20 . 1 1 38 38 LYS CB C 38 31.857 31.857 32.066 -0.210 19546 5265 1 20 . 1 1 38 38 LYS H H 38 8.581 8.581 8.568 0.013 19546 5266 1 20 . 1 1 39 39 ASP N N 39 113.879 113.879 117.393 -3.514 19546 5267 1 20 . 1 1 39 39 ASP HA H 39 4.364 4.364 4.541 -0.177 19546 5268 1 20 . 1 1 39 39 ASP CA C 39 54.027 54.027 55.607 -1.580 19546 5269 1 20 . 1 1 39 39 ASP CB C 39 39.749 39.749 41.093 -1.344 19546 5270 1 20 . 1 1 39 39 ASP H H 39 8.164 8.164 8.067 0.097 19546 5271 1 20 . 1 1 40 40 VAL N N 40 122.755 122.755 115.639 7.116 19546 5272 1 20 . 1 1 40 40 VAL HA H 40 3.975 3.975 4.418 -0.443 19546 5273 1 20 . 1 1 40 40 VAL CA C 40 61.937 61.937 60.014 1.923 19546 5274 1 20 . 1 1 40 40 VAL CB C 40 31.941 31.941 34.581 -2.640 19546 5275 1 20 . 1 1 40 40 VAL H H 40 8.053 8.053 7.473 0.580 19546 5276 1 20 . 1 1 41 41 ALA N N 41 133.718 133.718 128.069 5.649 19546 5277 1 20 . 1 1 41 41 ALA HA H 41 4.445 4.445 4.481 -0.036 19546 5278 1 20 . 1 1 41 41 ALA CA C 41 52.269 52.269 52.566 -0.297 19546 5279 1 20 . 1 1 41 41 ALA CB C 41 19.053 19.053 19.445 -0.392 19546 5280 1 20 . 1 1 41 41 ALA H H 41 8.927 8.927 8.312 0.615 19546 5281 1 20 . 1 1 42 42 VAL N N 42 125.374 125.374 123.154 2.220 19546 5282 1 20 . 1 1 42 42 VAL HA H 42 4.384 4.384 4.379 0.005 19546 5283 1 20 . 1 1 42 42 VAL CA C 42 60.485 60.485 62.324 -1.839 19546 5284 1 20 . 1 1 42 42 VAL CB C 42 33.636 33.636 33.288 0.348 19546 5285 1 20 . 1 1 42 42 VAL H H 42 7.899 7.899 8.039 -0.140 19546 5286 1 20 . 1 1 43 43 HIS N N 43 118.709 118.709 125.012 -6.303 19546 5287 1 20 . 1 1 43 43 HIS HA H 43 5.505 5.505 5.052 0.453 19546 5288 1 20 . 1 1 43 43 HIS CA C 43 53.758 53.758 55.014 -1.256 19546 5289 1 20 . 1 1 43 43 HIS CB C 43 37.671 37.671 33.061 4.610 19546 5290 1 20 . 1 1 43 43 HIS H H 43 8.580 8.580 8.593 -0.013 19546 5291 1 20 . 1 1 44 44 ARG N N 44 121.721 121.721 120.791 0.930 19546 5292 1 20 . 1 1 44 44 ARG HA H 44 3.923 3.923 4.651 -0.728 19546 5293 1 20 . 1 1 44 44 ARG CA C 44 58.392 58.392 54.891 3.501 19546 5294 1 20 . 1 1 44 44 ARG H H 44 8.396 8.396 8.724 -0.328 19546 5295 1 20 . 1 1 45 45 GLU N N 45 126.002 126.002 122.594 3.408 19546 5296 1 20 . 1 1 45 45 GLU HA H 45 4.384 4.384 4.019 0.365 19546 5297 1 20 . 1 1 45 45 GLU CA C 45 59.792 59.792 59.786 0.006 19546 5298 1 20 . 1 1 45 45 GLU CB C 45 29.945 29.945 29.321 0.624 19546 5299 1 20 . 1 1 45 45 GLU H H 45 7.892 7.892 8.929 -1.037 19546 5300 1 20 . 1 1 46 46 GLU N N 46 118.201 118.201 116.845 1.356 19546 5301 1 20 . 1 1 46 46 GLU HA H 46 4.212 4.212 4.176 0.036 19546 5302 1 20 . 1 1 46 46 GLU CA C 46 58.717 58.717 58.510 0.207 19546 5303 1 20 . 1 1 46 46 GLU CB C 46 27.031 27.031 28.974 -1.943 19546 5304 1 20 . 1 1 46 46 GLU H H 46 10.804 10.804 8.813 1.991 19546 5305 1 20 . 1 1 47 47 ILE N N 47 122.295 122.295 116.969 5.326 19546 5306 1 20 . 1 1 47 47 ILE HA H 47 3.526 3.526 4.162 -0.636 19546 5307 1 20 . 1 1 47 47 ILE CA C 47 60.756 60.756 62.153 -1.397 19546 5308 1 20 . 1 1 47 47 ILE CB C 47 34.770 34.770 40.191 -5.421 19546 5309 1 20 . 1 1 47 47 ILE H H 47 7.177 7.177 7.989 -0.812 19546 5310 1 20 . 1 1 48 48 TYR N N 48 122.359 122.359 122.144 0.215 19546 5311 1 20 . 1 1 48 48 TYR HA H 48 3.542 3.542 3.885 -0.343 19546 5312 1 20 . 1 1 48 48 TYR CA C 48 62.507 62.507 62.525 -0.018 19546 5313 1 20 . 1 1 48 48 TYR CB C 48 39.069 39.069 38.872 0.197 19546 5314 1 20 . 1 1 48 48 TYR H H 48 7.949 7.949 8.790 -0.841 19546 5315 1 20 . 1 1 49 49 GLN N N 49 115.099 115.099 115.295 -0.196 19546 5316 1 20 . 1 1 49 49 GLN HA H 49 3.821 3.821 4.076 -0.255 19546 5317 1 20 . 1 1 49 49 GLN CA C 49 58.633 58.633 57.657 0.975 19546 5318 1 20 . 1 1 49 49 GLN CB C 49 28.038 28.038 28.820 -0.782 19546 5319 1 20 . 1 1 49 49 GLN H H 49 8.597 8.597 7.893 0.704 19546 5320 1 20 . 1 1 50 50 ARG N N 50 120.635 120.635 117.441 3.194 19546 5321 1 20 . 1 1 50 50 ARG HA H 50 3.938 3.938 4.238 -0.300 19546 5322 1 20 . 1 1 50 50 ARG CA C 50 59.616 59.616 57.724 1.892 19546 5323 1 20 . 1 1 50 50 ARG CB C 50 30.462 30.462 30.677 -0.215 19546 5324 1 20 . 1 1 50 50 ARG H H 50 7.134 7.134 7.482 -0.348 19546 5325 1 20 . 1 1 51 51 ILE N N 51 120.637 120.637 120.265 0.372 19546 5326 1 20 . 1 1 51 51 ILE HA H 51 3.521 3.521 3.739 -0.218 19546 5327 1 20 . 1 1 51 51 ILE CA C 51 65.010 65.010 64.189 0.821 19546 5328 1 20 . 1 1 51 51 ILE CB C 51 37.878 37.878 38.158 -0.281 19546 5329 1 20 . 1 1 51 51 ILE H H 51 7.694 7.694 7.581 0.113 19546 5330 1 20 . 1 1 52 52 GLN N N 52 118.700 118.700 116.782 1.918 19546 5331 1 20 . 1 1 52 52 GLN HA H 52 3.768 3.768 3.975 -0.207 19546 5332 1 20 . 1 1 52 52 GLN CA C 52 57.616 57.616 56.118 1.498 19546 5333 1 20 . 1 1 52 52 GLN CB C 52 28.095 28.095 27.420 0.675 19546 5334 1 20 . 1 1 52 52 GLN H H 52 7.910 7.910 7.591 0.319 19546 5335 1 20 . 1 1 53 53 ALA N N 53 120.010 120.010 120.788 -0.778 19546 5336 1 20 . 1 1 53 53 ALA HA H 53 4.185 4.185 4.178 0.007 19546 5337 1 20 . 1 1 53 53 ALA CA C 53 53.071 53.071 52.813 0.258 19546 5338 1 20 . 1 1 53 53 ALA CB C 53 18.546 18.546 19.295 -0.749 19546 5339 1 20 . 1 1 53 53 ALA H H 53 7.554 7.554 7.147 0.406 19546 5340 1 20 . 1 1 54 54 GLY N N 54 105.898 105.898 104.608 1.290 19546 5341 1 20 . 1 1 54 54 GLY CA C 54 45.605 45.605 44.828 0.777 19546 5342 1 20 . 1 1 54 54 GLY H H 54 7.692 7.692 7.797 -0.105 19546 5343 1 20 . 1 1 55 55 LEU N N 55 120.793 120.793 117.654 3.139 19546 5344 1 20 . 1 1 55 55 LEU HA H 55 4.352 4.352 5.113 -0.761 19546 5345 1 20 . 1 1 55 55 LEU CA C 55 54.964 54.964 53.553 1.411 19546 5346 1 20 . 1 1 55 55 LEU CB C 55 42.006 42.006 42.835 -0.829 19546 5347 1 20 . 1 1 55 55 LEU H H 55 7.669 7.669 7.806 -0.137 19546 5348 1 20 . 1 1 56 56 THR N N 56 114.129 114.129 109.867 4.262 19546 5349 1 20 . 1 1 56 56 THR HA H 56 4.278 4.278 4.456 -0.178 19546 5350 1 20 . 1 1 56 56 THR CA C 56 61.492 61.492 60.216 1.276 19546 5351 1 20 . 1 1 56 56 THR CB C 56 69.957 69.957 70.768 -0.811 19546 5352 1 20 . 1 1 56 56 THR H H 56 7.928 7.928 7.872 0.056 19546 5353 1 20 . 1 1 57 57 ALA N N 57 127.280 127.280 124.165 3.115 19546 5354 1 20 . 1 1 57 57 ALA HA H 57 4.178 4.178 4.359 -0.181 19546 5355 1 20 . 1 1 57 57 ALA CA C 57 50.568 50.568 51.739 -1.171 19546 5356 1 20 . 1 1 57 57 ALA CB C 57 17.738 17.738 18.192 -0.454 19546 5357 1 20 . 1 1 57 57 ALA H H 57 8.110 8.110 8.201 -0.091 19546 5358 1 20 . 1 1 58 58 PRO HA H 58 4.279 4.279 4.565 -0.286 19546 5359 1 20 . 1 1 58 58 PRO CA C 58 63.266 63.266 62.475 0.791 19546 5360 1 20 . 1 1 58 58 PRO CB C 58 31.983 31.983 32.692 -0.709 19546 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 55 3.610 -1.762 3.180 19546 2 1 1 "Average Difference" HA 63 0.353 -0.014 0.356 19546 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19546 4 1 1 "Average Difference" CA 57 1.121 -0.248 1.103 19546 5 1 1 "Average Difference" CB 50 1.847 0.438 1.812 19546 6 1 1 "Average Difference" HN 55 0.706 -0.304 0.643 19546 7 1 2 "Average Difference" N 55 3.610 -1.786 3.167 19546 8 1 2 "Average Difference" HA 63 0.348 -0.012 0.351 19546 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19546 10 1 2 "Average Difference" CA 57 1.068 -0.271 1.042 19546 11 1 2 "Average Difference" CB 50 1.757 0.461 1.713 19546 12 1 2 "Average Difference" HN 55 0.688 -0.286 0.632 19546 13 1 3 "Average Difference" N 55 3.565 -1.780 3.117 19546 14 1 3 "Average Difference" HA 63 0.361 0.002 0.364 19546 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19546 16 1 3 "Average Difference" CA 57 1.150 -0.348 1.105 19546 17 1 3 "Average Difference" CB 50 1.712 0.309 1.701 19546 18 1 3 "Average Difference" HN 55 0.678 -0.275 0.626 19546 19 1 4 "Average Difference" N 55 3.545 -1.687 3.147 19546 20 1 4 "Average Difference" HA 63 0.371 -0.028 0.373 19546 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19546 22 1 4 "Average Difference" CA 57 1.081 -0.219 1.068 19546 23 1 4 "Average Difference" CB 50 1.798 0.372 1.777 19546 24 1 4 "Average Difference" HN 55 0.698 -0.271 0.649 19546 25 1 5 "Average Difference" N 55 3.479 -1.656 3.087 19546 26 1 5 "Average Difference" HA 63 0.364 -0.019 0.366 19546 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19546 28 1 5 "Average Difference" CA 57 1.069 -0.242 1.051 19546 29 1 5 "Average Difference" CB 50 1.740 0.291 1.733 19546 30 1 5 "Average Difference" HN 55 0.669 -0.272 0.616 19546 31 1 6 "Average Difference" N 55 3.395 -1.655 2.991 19546 32 1 6 "Average Difference" HA 63 0.349 -0.013 0.351 19546 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19546 34 1 6 "Average Difference" CA 57 1.077 -0.286 1.048 19546 35 1 6 "Average Difference" CB 50 1.750 0.421 1.716 19546 36 1 6 "Average Difference" HN 55 0.683 -0.284 0.627 19546 37 1 7 "Average Difference" N 55 3.428 -1.824 2.929 19546 38 1 7 "Average Difference" HA 63 0.357 -0.011 0.360 19546 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19546 40 1 7 "Average Difference" CA 57 1.128 -0.321 1.091 19546 41 1 7 "Average Difference" CB 50 1.774 0.275 1.770 19546 42 1 7 "Average Difference" HN 55 0.719 -0.253 0.679 19546 43 1 8 "Average Difference" N 55 3.463 -1.647 3.075 19546 44 1 8 "Average Difference" HA 63 0.359 -0.028 0.361 19546 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19546 46 1 8 "Average Difference" CA 57 1.063 -0.199 1.053 19546 47 1 8 "Average Difference" CB 50 1.782 0.334 1.768 19546 48 1 8 "Average Difference" HN 55 0.678 -0.276 0.625 19546 49 1 9 "Average Difference" N 55 3.762 -1.862 3.299 19546 50 1 9 "Average Difference" HA 63 0.351 0.001 0.354 19546 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19546 52 1 9 "Average Difference" CA 57 1.081 -0.329 1.039 19546 53 1 9 "Average Difference" CB 50 1.782 0.360 1.763 19546 54 1 9 "Average Difference" HN 55 0.662 -0.279 0.606 19546 55 1 10 "Average Difference" N 55 3.357 -1.750 2.891 19546 56 1 10 "Average Difference" HA 63 0.371 -0.014 0.373 19546 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19546 58 1 10 "Average Difference" CA 57 1.142 -0.304 1.111 19546 59 1 10 "Average Difference" CB 50 1.792 0.396 1.766 19546 60 1 10 "Average Difference" HN 55 0.682 -0.284 0.625 19546 61 1 11 "Average Difference" N 55 3.567 -1.791 3.114 19546 62 1 11 "Average Difference" HA 63 0.351 -0.010 0.354 19546 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19546 64 1 11 "Average Difference" CA 57 1.132 -0.299 1.101 19546 65 1 11 "Average Difference" CB 50 1.855 0.346 1.842 19546 66 1 11 "Average Difference" HN 55 0.677 -0.297 0.614 19546 67 1 12 "Average Difference" N 55 3.463 -1.638 3.079 19546 68 1 12 "Average Difference" HA 63 0.350 0.001 0.353 19546 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19546 70 1 12 "Average Difference" CA 57 1.062 -0.276 1.034 19546 71 1 12 "Average Difference" CB 50 1.745 0.473 1.697 19546 72 1 12 "Average Difference" HN 55 0.666 -0.263 0.617 19546 73 1 13 "Average Difference" N 55 3.446 -1.557 3.102 19546 74 1 13 "Average Difference" HA 63 0.353 -0.022 0.355 19546 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19546 76 1 13 "Average Difference" CA 57 1.092 -0.274 1.066 19546 77 1 13 "Average Difference" CB 50 1.785 0.320 1.774 19546 78 1 13 "Average Difference" HN 55 0.689 -0.291 0.630 19546 79 1 14 "Average Difference" N 55 3.471 -1.664 3.074 19546 80 1 14 "Average Difference" HA 63 0.356 0.003 0.359 19546 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19546 82 1 14 "Average Difference" CA 57 1.128 -0.303 1.096 19546 83 1 14 "Average Difference" CB 50 1.727 0.453 1.684 19546 84 1 14 "Average Difference" HN 55 0.688 -0.266 0.641 19546 85 1 15 "Average Difference" N 55 3.715 -1.848 3.253 19546 86 1 15 "Average Difference" HA 63 0.357 -0.017 0.359 19546 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19546 88 1 15 "Average Difference" CA 57 1.117 -0.291 1.088 19546 89 1 15 "Average Difference" CB 50 1.831 0.364 1.813 19546 90 1 15 "Average Difference" HN 55 0.690 -0.305 0.624 19546 91 1 16 "Average Difference" N 55 3.408 -1.601 3.036 19546 92 1 16 "Average Difference" HA 63 0.361 -0.003 0.364 19546 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19546 94 1 16 "Average Difference" CA 57 1.195 -0.329 1.159 19546 95 1 16 "Average Difference" CB 50 1.679 0.366 1.655 19546 96 1 16 "Average Difference" HN 55 0.692 -0.281 0.638 19546 97 1 17 "Average Difference" N 55 3.334 -1.536 2.986 19546 98 1 17 "Average Difference" HA 63 0.350 -0.018 0.352 19546 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19546 100 1 17 "Average Difference" CA 57 1.064 -0.194 1.056 19546 101 1 17 "Average Difference" CB 50 1.778 0.372 1.757 19546 102 1 17 "Average Difference" HN 55 0.683 -0.280 0.628 19546 103 1 18 "Average Difference" N 55 3.329 -1.578 2.958 19546 104 1 18 "Average Difference" HA 63 0.359 -0.024 0.361 19546 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19546 106 1 18 "Average Difference" CA 57 1.102 -0.244 1.084 19546 107 1 18 "Average Difference" CB 50 1.836 0.376 1.815 19546 108 1 18 "Average Difference" HN 55 0.675 -0.280 0.620 19546 109 1 19 "Average Difference" N 55 3.558 -1.708 3.150 19546 110 1 19 "Average Difference" HA 63 0.363 0.003 0.366 19546 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19546 112 1 19 "Average Difference" CA 57 1.162 -0.307 1.130 19546 113 1 19 "Average Difference" CB 50 1.749 0.389 1.723 19546 114 1 19 "Average Difference" HN 55 0.689 -0.274 0.639 19546 115 1 20 "Average Difference" N 55 3.424 -1.709 2.994 19546 116 1 20 "Average Difference" HA 63 0.362 -0.005 0.365 19546 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19546 118 1 20 "Average Difference" CA 57 1.141 -0.301 1.111 19546 119 1 20 "Average Difference" CB 50 1.719 0.390 1.691 19546 120 1 20 "Average Difference" HN 55 0.683 -0.285 0.627 19546 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 19546 _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 LEU N N 2 124.364 124.364 125.986 -1.622 19546 2 1 . 1 1 2 2 LEU HA H 2 4.547 4.547 4.711 -0.164 19546 3 1 . 1 1 2 2 LEU CA C 2 54.353 54.353 54.481 -0.128 19546 4 1 . 1 1 2 2 LEU CB C 2 42.514 42.514 42.620 -0.106 19546 5 1 . 1 1 2 2 LEU H H 2 8.494 8.494 8.376 0.118 19546 6 1 . 1 1 3 3 ILE N N 3 130.774 130.774 123.515 7.259 19546 7 1 . 1 1 3 3 ILE HA H 3 5.071 5.071 4.411 0.660 19546 8 1 . 1 1 3 3 ILE CA C 3 60.083 60.083 60.991 -0.908 19546 9 1 . 1 1 3 3 ILE CB C 3 37.710 37.710 39.742 -2.032 19546 10 1 . 1 1 3 3 ILE H H 3 10.676 10.676 8.318 2.358 19546 11 1 . 1 1 4 4 LEU N N 4 122.204 122.204 126.224 -4.020 19546 12 1 . 1 1 4 4 LEU HA H 4 4.535 4.535 4.730 -0.195 19546 13 1 . 1 1 4 4 LEU CA C 4 52.555 52.555 53.814 -1.259 19546 14 1 . 1 1 4 4 LEU CB C 4 47.177 47.177 44.755 2.422 19546 15 1 . 1 1 4 4 LEU H H 4 8.587 8.587 8.299 0.288 19546 16 1 . 1 1 5 5 THR N N 5 119.940 119.940 116.863 3.077 19546 17 1 . 1 1 5 5 THR HA H 5 5.476 5.476 4.719 0.757 19546 18 1 . 1 1 5 5 THR CA C 5 61.923 61.923 61.599 0.324 19546 19 1 . 1 1 5 5 THR CB C 5 68.963 68.963 69.778 -0.815 19546 20 1 . 1 1 5 5 THR H H 5 9.161 9.161 8.259 0.902 19546 21 1 . 1 1 6 6 ARG N N 6 126.862 126.862 123.076 3.786 19546 22 1 . 1 1 6 6 ARG HA H 6 5.023 5.023 4.815 0.208 19546 23 1 . 1 1 6 6 ARG CA C 6 55.325 55.325 54.815 0.510 19546 24 1 . 1 1 6 6 ARG CB C 6 38.076 38.076 33.405 4.671 19546 25 1 . 1 1 6 6 ARG H H 6 9.619 9.619 8.432 1.187 19546 26 1 . 1 1 7 7 LYS N N 7 123.703 123.703 120.546 3.157 19546 27 1 . 1 1 7 7 LYS HA H 7 5.069 5.069 4.627 0.442 19546 28 1 . 1 1 7 7 LYS CA C 7 54.427 54.427 54.974 -0.547 19546 29 1 . 1 1 7 7 LYS CB C 7 34.217 34.217 35.097 -0.880 19546 30 1 . 1 1 7 7 LYS H H 7 9.450 9.450 8.703 0.747 19546 31 1 . 1 1 8 8 VAL N N 8 118.617 118.617 120.781 -2.164 19546 32 1 . 1 1 8 8 VAL HA H 8 3.315 3.315 3.764 -0.449 19546 33 1 . 1 1 8 8 VAL CA C 8 66.050 66.050 63.853 2.197 19546 34 1 . 1 1 8 8 VAL CB C 8 31.491 31.491 30.555 0.936 19546 35 1 . 1 1 8 8 VAL H H 8 7.741 7.741 8.481 -0.740 19546 36 1 . 1 1 9 9 GLY N N 9 116.069 116.069 115.695 0.374 19546 37 1 . 1 1 9 9 GLY CA C 9 44.524 44.524 44.782 -0.258 19546 38 1 . 1 1 9 9 GLY H H 9 9.269 9.269 8.911 0.358 19546 39 1 . 1 1 10 10 GLU N N 10 119.364 119.364 120.068 -0.704 19546 40 1 . 1 1 10 10 GLU HA H 10 4.891 4.891 4.756 0.135 19546 41 1 . 1 1 10 10 GLU CA C 10 55.788 55.788 54.790 0.998 19546 42 1 . 1 1 10 10 GLU CB C 10 32.873 32.873 32.328 0.545 19546 43 1 . 1 1 10 10 GLU H H 10 8.426 8.426 8.097 0.329 19546 44 1 . 1 1 11 11 SER N N 11 112.510 112.510 113.171 -0.661 19546 45 1 . 1 1 11 11 SER HA H 11 5.882 5.882 5.305 0.577 19546 46 1 . 1 1 11 11 SER CA C 11 57.997 57.997 57.178 0.819 19546 47 1 . 1 1 11 11 SER CB C 11 66.884 66.884 66.267 0.617 19546 48 1 . 1 1 11 11 SER H H 11 8.672 8.672 8.345 0.328 19546 49 1 . 1 1 12 12 ILE N N 12 124.592 124.592 119.785 4.807 19546 50 1 . 1 1 12 12 ILE HA H 12 4.365 4.365 4.558 -0.193 19546 51 1 . 1 1 12 12 ILE CA C 12 59.814 59.814 59.189 0.625 19546 52 1 . 1 1 12 12 ILE CB C 12 42.616 42.616 42.384 0.232 19546 53 1 . 1 1 12 12 ILE H H 12 9.265 9.265 8.894 0.371 19546 54 1 . 1 1 13 13 ASN N N 13 126.127 126.127 121.109 5.018 19546 55 1 . 1 1 13 13 ASN HA H 13 4.947 4.947 5.202 -0.255 19546 56 1 . 1 1 13 13 ASN CA C 13 53.571 53.571 52.283 1.288 19546 57 1 . 1 1 13 13 ASN CB C 13 41.491 41.491 41.748 -0.257 19546 58 1 . 1 1 13 13 ASN H H 13 9.318 9.318 8.414 0.904 19546 59 1 . 1 1 14 14 ILE N N 14 123.984 123.984 122.280 1.704 19546 60 1 . 1 1 14 14 ILE HA H 14 4.475 4.475 4.461 0.014 19546 61 1 . 1 1 14 14 ILE CA C 14 60.582 60.582 60.599 -0.017 19546 62 1 . 1 1 14 14 ILE CB C 14 38.573 38.573 41.550 -2.977 19546 63 1 . 1 1 14 14 ILE H H 14 8.392 8.392 8.648 -0.256 19546 64 1 . 1 1 15 15 GLY N N 15 115.533 115.533 112.925 2.608 19546 65 1 . 1 1 15 15 GLY CA C 15 45.893 45.893 46.301 -0.407 19546 66 1 . 1 1 15 15 GLY H H 15 9.148 9.148 8.592 0.556 19546 67 1 . 1 1 16 16 ASP N N 16 121.039 121.039 121.893 -0.854 19546 68 1 . 1 1 16 16 ASP HA H 16 4.969 4.969 4.710 0.259 19546 69 1 . 1 1 16 16 ASP CA C 16 55.256 55.256 54.341 0.915 19546 70 1 . 1 1 16 16 ASP CB C 16 42.342 42.342 41.571 0.771 19546 71 1 . 1 1 16 16 ASP H H 16 8.809 8.809 8.313 0.496 19546 72 1 . 1 1 17 17 ASP N N 17 115.538 115.538 119.225 -3.687 19546 73 1 . 1 1 17 17 ASP HA H 17 4.749 4.749 4.805 -0.056 19546 74 1 . 1 1 17 17 ASP CA C 17 54.134 54.134 54.171 -0.037 19546 75 1 . 1 1 17 17 ASP CB C 17 42.578 42.578 43.353 -0.775 19546 76 1 . 1 1 17 17 ASP H H 17 8.140 8.140 7.989 0.151 19546 77 1 . 1 1 18 18 ILE N N 18 118.702 118.702 119.908 -1.206 19546 78 1 . 1 1 18 18 ILE HA H 18 5.239 5.239 4.776 0.463 19546 79 1 . 1 1 18 18 ILE CA C 18 60.037 60.037 60.435 -0.398 19546 80 1 . 1 1 18 18 ILE CB C 18 39.755 39.755 41.847 -2.091 19546 81 1 . 1 1 18 18 ILE H H 18 7.183 7.183 7.733 -0.550 19546 82 1 . 1 1 19 19 THR N N 19 122.806 122.806 122.114 0.692 19546 83 1 . 1 1 19 19 THR HA H 19 5.110 5.110 5.002 0.108 19546 84 1 . 1 1 19 19 THR CA C 19 60.845 60.845 61.553 -0.708 19546 85 1 . 1 1 19 19 THR CB C 19 71.703 71.703 72.073 -0.370 19546 86 1 . 1 1 19 19 THR H H 19 8.993 8.993 8.229 0.764 19546 87 1 . 1 1 20 20 ILE N N 20 123.302 123.302 122.326 0.976 19546 88 1 . 1 1 20 20 ILE HA H 20 4.891 4.891 4.902 -0.011 19546 89 1 . 1 1 20 20 ILE CA C 20 58.946 58.946 59.078 -0.133 19546 90 1 . 1 1 20 20 ILE CB C 20 40.382 40.382 41.771 -1.389 19546 91 1 . 1 1 20 20 ILE H H 20 8.918 8.918 9.102 -0.184 19546 92 1 . 1 1 21 21 THR N N 21 123.751 123.751 119.012 4.739 19546 93 1 . 1 1 21 21 THR HA H 21 4.837 4.837 4.977 -0.140 19546 94 1 . 1 1 21 21 THR CA C 21 61.523 61.523 61.560 -0.037 19546 95 1 . 1 1 21 21 THR CB C 21 71.939 71.939 72.378 -0.439 19546 96 1 . 1 1 21 21 THR H H 21 9.398 9.398 8.801 0.597 19546 97 1 . 1 1 22 22 ILE N N 22 125.736 125.736 126.074 -0.338 19546 98 1 . 1 1 22 22 ILE HA H 22 4.119 4.119 4.525 -0.407 19546 99 1 . 1 1 22 22 ILE CA C 22 59.111 59.111 58.603 0.508 19546 100 1 . 1 1 22 22 ILE CB C 22 33.929 33.929 38.448 -4.519 19546 101 1 . 1 1 22 22 ILE H H 22 8.053 8.053 8.408 -0.355 19546 102 1 . 1 1 23 23 LEU N N 23 129.499 129.499 129.102 0.397 19546 103 1 . 1 1 23 23 LEU HA H 23 4.529 4.529 4.361 0.168 19546 104 1 . 1 1 23 23 LEU CA C 23 55.574 55.574 56.006 -0.432 19546 105 1 . 1 1 23 23 LEU CB C 23 41.923 41.923 42.034 -0.111 19546 106 1 . 1 1 23 23 LEU H H 23 8.890 8.890 8.396 0.494 19546 107 1 . 1 1 24 24 GLY N N 24 104.858 104.858 103.661 1.197 19546 108 1 . 1 1 24 24 GLY CA C 24 46.001 46.001 45.128 0.873 19546 109 1 . 1 1 24 24 GLY H H 24 7.565 7.565 7.689 -0.124 19546 110 1 . 1 1 25 25 VAL N N 25 120.794 120.794 118.027 2.767 19546 111 1 . 1 1 25 25 VAL HA H 25 4.670 4.670 4.583 0.087 19546 112 1 . 1 1 25 25 VAL CA C 25 61.459 61.459 59.697 1.762 19546 113 1 . 1 1 25 25 VAL CB C 25 35.692 35.692 35.095 0.597 19546 114 1 . 1 1 25 25 VAL H H 25 8.477 8.477 8.289 0.188 19546 115 1 . 1 1 26 26 SER N N 26 122.022 122.022 120.465 1.556 19546 116 1 . 1 1 26 26 SER HA H 26 4.691 4.691 4.656 0.035 19546 117 1 . 1 1 26 26 SER CA C 26 56.322 56.322 57.994 -1.672 19546 118 1 . 1 1 26 26 SER CB C 26 63.731 63.731 63.927 -0.196 19546 119 1 . 1 1 26 26 SER H H 26 8.619 8.619 8.776 -0.157 19546 120 1 . 1 1 27 27 GLY N N 27 118.775 118.775 112.705 6.070 19546 121 1 . 1 1 27 27 GLY CA C 27 47.626 47.626 45.795 1.831 19546 122 1 . 1 1 27 27 GLY H H 27 8.969 8.969 8.267 0.702 19546 123 1 . 1 1 28 28 GLN N N 28 124.390 124.390 124.626 -0.236 19546 124 1 . 1 1 28 28 GLN HA H 28 4.324 4.324 4.227 0.097 19546 125 1 . 1 1 28 28 GLN CA C 28 54.980 54.980 56.610 -1.630 19546 126 1 . 1 1 28 28 GLN CB C 28 29.553 29.553 28.995 0.558 19546 127 1 . 1 1 28 28 GLN H H 28 8.761 8.761 8.677 0.084 19546 128 1 . 1 1 29 29 GLN N N 29 116.885 116.885 118.100 -1.215 19546 129 1 . 1 1 29 29 GLN HA H 29 4.651 4.651 4.608 0.043 19546 130 1 . 1 1 29 29 GLN CA C 29 55.364 55.364 54.923 0.441 19546 131 1 . 1 1 29 29 GLN CB C 29 31.289 31.289 31.945 -0.656 19546 132 1 . 1 1 29 29 GLN H H 29 8.307 8.307 7.531 0.776 19546 133 1 . 1 1 30 30 VAL N N 30 123.399 123.399 119.196 4.203 19546 134 1 . 1 1 30 30 VAL HA H 30 4.602 4.602 4.297 0.305 19546 135 1 . 1 1 30 30 VAL CA C 30 60.710 60.710 61.399 -0.689 19546 136 1 . 1 1 30 30 VAL CB C 30 34.560 34.560 35.282 -0.722 19546 137 1 . 1 1 30 30 VAL H H 30 9.103 9.103 8.339 0.764 19546 138 1 . 1 1 31 31 ARG N N 31 128.722 128.722 126.182 2.540 19546 139 1 . 1 1 31 31 ARG HA H 31 4.659 4.659 4.839 -0.180 19546 140 1 . 1 1 31 31 ARG CA C 31 55.755 55.755 54.430 1.325 19546 141 1 . 1 1 31 31 ARG CB C 31 31.871 31.871 31.908 -0.037 19546 142 1 . 1 1 31 31 ARG H H 31 8.750 8.750 8.628 0.122 19546 143 1 . 1 1 32 32 ILE N N 32 127.760 127.760 119.445 8.315 19546 144 1 . 1 1 32 32 ILE HA H 32 4.652 4.652 5.086 -0.434 19546 145 1 . 1 1 32 32 ILE CA C 32 59.738 59.738 58.745 0.993 19546 146 1 . 1 1 32 32 ILE CB C 32 41.082 41.082 42.194 -1.112 19546 147 1 . 1 1 32 32 ILE H H 32 9.069 9.069 8.505 0.564 19546 148 1 . 1 1 33 33 GLY N N 33 112.098 112.098 109.374 2.724 19546 149 1 . 1 1 33 33 GLY CA C 33 44.565 44.565 43.751 0.814 19546 150 1 . 1 1 33 33 GLY H H 33 9.075 9.075 8.649 0.426 19546 151 1 . 1 1 34 34 ILE N N 34 124.988 124.988 119.299 5.689 19546 152 1 . 1 1 34 34 ILE HA H 34 4.863 4.863 4.572 0.291 19546 153 1 . 1 1 34 34 ILE CA C 34 61.053 61.053 60.621 0.432 19546 154 1 . 1 1 34 34 ILE CB C 34 41.339 41.339 42.036 -0.697 19546 155 1 . 1 1 34 34 ILE H H 34 9.654 9.654 8.224 1.430 19546 156 1 . 1 1 35 35 ASN N N 35 129.566 129.566 124.898 4.668 19546 157 1 . 1 1 35 35 ASN HA H 35 5.102 5.102 4.927 0.175 19546 158 1 . 1 1 35 35 ASN CA C 35 52.166 52.166 52.393 -0.227 19546 159 1 . 1 1 35 35 ASN CB C 35 40.191 40.191 39.430 0.761 19546 160 1 . 1 1 35 35 ASN H H 35 9.013 9.013 9.012 0.001 19546 161 1 . 1 1 36 36 ALA N N 36 125.469 125.469 124.686 0.783 19546 162 1 . 1 1 36 36 ALA HA H 36 5.066 5.066 5.206 -0.140 19546 163 1 . 1 1 36 36 ALA CA C 36 49.445 49.445 48.968 0.477 19546 164 1 . 1 1 36 36 ALA CB C 36 19.884 19.884 20.375 -0.491 19546 165 1 . 1 1 36 36 ALA H H 36 8.205 8.205 7.775 0.430 19546 166 1 . 1 1 37 37 PRO HA H 37 4.415 4.415 4.591 -0.176 19546 167 1 . 1 1 37 37 PRO CA C 37 62.961 62.961 62.356 0.605 19546 168 1 . 1 1 37 37 PRO CB C 37 32.374 32.374 32.839 -0.465 19546 169 1 . 1 1 38 38 LYS N N 38 121.088 121.088 120.345 0.743 19546 170 1 . 1 1 38 38 LYS HA H 38 3.794 3.794 4.136 -0.342 19546 171 1 . 1 1 38 38 LYS CA C 38 58.747 58.747 57.940 0.807 19546 172 1 . 1 1 38 38 LYS CB C 38 31.857 31.857 32.164 -0.307 19546 173 1 . 1 1 38 38 LYS H H 38 8.581 8.581 8.600 -0.019 19546 174 1 . 1 1 39 39 ASP N N 39 113.879 113.879 117.530 -3.651 19546 175 1 . 1 1 39 39 ASP HA H 39 4.364 4.364 4.569 -0.205 19546 176 1 . 1 1 39 39 ASP CA C 39 54.027 54.027 55.386 -1.359 19546 177 1 . 1 1 39 39 ASP CB C 39 39.749 39.749 41.138 -1.389 19546 178 1 . 1 1 39 39 ASP H H 39 8.164 8.164 8.050 0.114 19546 179 1 . 1 1 40 40 VAL N N 40 122.755 122.755 116.049 6.706 19546 180 1 . 1 1 40 40 VAL HA H 40 3.975 3.975 4.430 -0.455 19546 181 1 . 1 1 40 40 VAL CA C 40 61.937 61.937 60.002 1.935 19546 182 1 . 1 1 40 40 VAL CB C 40 31.941 31.941 34.314 -2.373 19546 183 1 . 1 1 40 40 VAL H H 40 8.053 8.053 7.515 0.538 19546 184 1 . 1 1 41 41 ALA N N 41 133.718 133.718 127.692 6.026 19546 185 1 . 1 1 41 41 ALA HA H 41 4.445 4.445 4.414 0.031 19546 186 1 . 1 1 41 41 ALA CA C 41 52.269 52.269 52.493 -0.224 19546 187 1 . 1 1 41 41 ALA CB C 41 19.053 19.053 19.322 -0.269 19546 188 1 . 1 1 41 41 ALA H H 41 8.927 8.927 8.271 0.656 19546 189 1 . 1 1 42 42 VAL N N 42 125.374 125.374 123.490 1.884 19546 190 1 . 1 1 42 42 VAL HA H 42 4.384 4.384 4.371 0.013 19546 191 1 . 1 1 42 42 VAL CA C 42 60.485 60.485 62.734 -2.249 19546 192 1 . 1 1 42 42 VAL CB C 42 33.636 33.636 33.533 0.103 19546 193 1 . 1 1 42 42 VAL H H 42 7.899 7.899 8.312 -0.413 19546 194 1 . 1 1 43 43 HIS N N 43 118.709 118.709 124.940 -6.231 19546 195 1 . 1 1 43 43 HIS HA H 43 5.505 5.505 5.045 0.460 19546 196 1 . 1 1 43 43 HIS CA C 43 53.758 53.758 55.108 -1.351 19546 197 1 . 1 1 43 43 HIS CB C 43 37.671 37.671 32.468 5.203 19546 198 1 . 1 1 43 43 HIS H H 43 8.580 8.580 8.305 0.275 19546 199 1 . 1 1 44 44 ARG N N 44 121.721 121.721 121.186 0.535 19546 200 1 . 1 1 44 44 ARG HA H 44 3.923 3.923 4.466 -0.543 19546 201 1 . 1 1 44 44 ARG CA C 44 58.392 58.392 55.715 2.677 19546 202 1 . 1 1 44 44 ARG H H 44 8.396 8.396 8.717 -0.322 19546 203 1 . 1 1 45 45 GLU N N 45 126.002 126.002 122.248 3.754 19546 204 1 . 1 1 45 45 GLU HA H 45 4.384 4.384 4.074 0.310 19546 205 1 . 1 1 45 45 GLU CA C 45 59.792 59.792 59.273 0.519 19546 206 1 . 1 1 45 45 GLU CB C 45 29.945 29.945 29.182 0.763 19546 207 1 . 1 1 45 45 GLU H H 45 7.892 7.892 8.961 -1.069 19546 208 1 . 1 1 46 46 GLU N N 46 118.201 118.201 117.979 0.221 19546 209 1 . 1 1 46 46 GLU HA H 46 4.212 4.212 4.206 0.006 19546 210 1 . 1 1 46 46 GLU CA C 46 58.717 58.717 58.218 0.499 19546 211 1 . 1 1 46 46 GLU CB C 46 27.031 27.031 29.238 -2.207 19546 212 1 . 1 1 46 46 GLU H H 46 10.804 10.804 8.732 2.072 19546 213 1 . 1 1 47 47 ILE N N 47 122.295 122.295 117.392 4.903 19546 214 1 . 1 1 47 47 ILE HA H 47 3.526 3.526 4.138 -0.612 19546 215 1 . 1 1 47 47 ILE CA C 47 60.756 60.756 62.129 -1.373 19546 216 1 . 1 1 47 47 ILE CB C 47 34.770 34.770 40.368 -5.598 19546 217 1 . 1 1 47 47 ILE H H 47 7.177 7.177 7.628 -0.451 19546 218 1 . 1 1 48 48 TYR N N 48 122.359 122.359 122.125 0.234 19546 219 1 . 1 1 48 48 TYR HA H 48 3.542 3.542 3.889 -0.347 19546 220 1 . 1 1 48 48 TYR CA C 48 62.507 62.507 62.833 -0.326 19546 221 1 . 1 1 48 48 TYR CB C 48 39.069 39.069 38.790 0.279 19546 222 1 . 1 1 48 48 TYR H H 48 7.949 7.949 8.720 -0.771 19546 223 1 . 1 1 49 49 GLN N N 49 115.099 115.099 115.460 -0.360 19546 224 1 . 1 1 49 49 GLN HA H 49 3.821 3.821 4.056 -0.235 19546 225 1 . 1 1 49 49 GLN CA C 49 58.633 58.633 57.718 0.915 19546 226 1 . 1 1 49 49 GLN CB C 49 28.038 28.038 28.780 -0.742 19546 227 1 . 1 1 49 49 GLN H H 49 8.597 8.597 8.055 0.542 19546 228 1 . 1 1 50 50 ARG N N 50 120.635 120.635 117.570 3.065 19546 229 1 . 1 1 50 50 ARG HA H 50 3.938 3.938 4.233 -0.295 19546 230 1 . 1 1 50 50 ARG CA C 50 59.616 59.616 57.782 1.835 19546 231 1 . 1 1 50 50 ARG CB C 50 30.462 30.462 30.700 -0.237 19546 232 1 . 1 1 50 50 ARG H H 50 7.134 7.134 7.502 -0.368 19546 233 1 . 1 1 51 51 ILE N N 51 120.637 120.637 121.019 -0.382 19546 234 1 . 1 1 51 51 ILE HA H 51 3.521 3.521 3.694 -0.173 19546 235 1 . 1 1 51 51 ILE CA C 51 65.010 65.010 64.400 0.610 19546 236 1 . 1 1 51 51 ILE CB C 51 37.878 37.878 38.061 -0.183 19546 237 1 . 1 1 51 51 ILE H H 51 7.694 7.694 7.647 0.047 19546 238 1 . 1 1 52 52 GLN N N 52 118.700 118.700 116.478 2.222 19546 239 1 . 1 1 52 52 GLN HA H 52 3.768 3.768 3.995 -0.227 19546 240 1 . 1 1 52 52 GLN CA C 52 57.616 57.616 56.004 1.612 19546 241 1 . 1 1 52 52 GLN CB C 52 28.095 28.095 27.351 0.744 19546 242 1 . 1 1 52 52 GLN H H 52 7.910 7.910 7.596 0.314 19546 243 1 . 1 1 53 53 ALA N N 53 120.010 120.010 120.823 -0.813 19546 244 1 . 1 1 53 53 ALA HA H 53 4.185 4.185 4.185 0.000 19546 245 1 . 1 1 53 53 ALA CA C 53 53.071 53.071 52.830 0.241 19546 246 1 . 1 1 53 53 ALA CB C 53 18.546 18.546 19.337 -0.791 19546 247 1 . 1 1 53 53 ALA H H 53 7.554 7.554 7.125 0.429 19546 248 1 . 1 1 54 54 GLY N N 54 105.898 105.898 104.611 1.287 19546 249 1 . 1 1 54 54 GLY CA C 54 45.605 45.605 44.832 0.773 19546 250 1 . 1 1 54 54 GLY H H 54 7.692 7.692 7.780 -0.088 19546 251 1 . 1 1 55 55 LEU N N 55 120.793 120.793 117.815 2.978 19546 252 1 . 1 1 55 55 LEU HA H 55 4.352 4.352 5.116 -0.764 19546 253 1 . 1 1 55 55 LEU CA C 55 54.964 54.964 53.554 1.410 19546 254 1 . 1 1 55 55 LEU CB C 55 42.006 42.006 42.852 -0.846 19546 255 1 . 1 1 55 55 LEU H H 55 7.669 7.669 7.760 -0.091 19546 256 1 . 1 1 56 56 THR N N 56 114.129 114.129 109.632 4.497 19546 257 1 . 1 1 56 56 THR HA H 56 4.278 4.278 4.474 -0.196 19546 258 1 . 1 1 56 56 THR CA C 56 61.492 61.492 60.209 1.283 19546 259 1 . 1 1 56 56 THR CB C 56 69.957 69.957 70.835 -0.878 19546 260 1 . 1 1 56 56 THR H H 56 7.928 7.928 7.833 0.095 19546 261 1 . 1 1 57 57 ALA N N 57 127.280 127.280 123.690 3.590 19546 262 1 . 1 1 57 57 ALA HA H 57 4.178 4.178 4.361 -0.183 19546 263 1 . 1 1 57 57 ALA CA C 57 50.568 50.568 51.507 -0.939 19546 264 1 . 1 1 57 57 ALA CB C 57 17.738 17.738 18.333 -0.595 19546 265 1 . 1 1 57 57 ALA H H 57 8.110 8.110 8.254 -0.145 19546 266 1 . 1 1 58 58 PRO HA H 58 4.279 4.279 4.450 -0.171 19546 267 1 . 1 1 58 58 PRO CA C 58 63.266 63.266 62.893 0.373 19546 268 1 . 1 1 58 58 PRO CB C 58 31.983 31.983 32.397 -0.414 19546 stop_ save_